smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(-c2ccc(C(=O)NC[C@@H]3C[C@H](F)CN3)cc2)c(=O)c2ccccc12 ZINC000426380132 231211162 /nfs/dbraw/zinc/21/11/62/231211162.db2.gz QTGBEMFVQQDIQX-HOTGVXAUSA-N 0 3 380.423 2.124 50 0 GEAAHN COc1c(Br)cc(CNCCOCCO)cc1Br ZINC000020927421 531583156 /nfs/dbraw/zinc/58/31/56/531583156.db2.gz DVMCBGYUOUGJEU-UHFFFAOYSA-N 0 3 383.080 2.319 50 0 GEAAHN CCN1CCN([C@@H](C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032594040 531655091 /nfs/dbraw/zinc/65/50/91/531655091.db2.gz PWXWTCQDMSVSOK-LBPRGKRZSA-N 0 3 380.341 2.298 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]1 ZINC000053254695 531758957 /nfs/dbraw/zinc/75/89/57/531758957.db2.gz DBLBNNJLRKKVLN-SECBINFHSA-N 0 3 383.695 2.141 50 0 GEAAHN OCCN(CCO)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004264132 204036177 /nfs/dbraw/zinc/03/61/77/204036177.db2.gz STPQBRUWBPEJCN-FCSDKFEESA-N 0 3 389.536 2.181 50 0 GEAAHN CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(Br)c3)C2)CC1 ZINC000004746161 204073428 /nfs/dbraw/zinc/07/34/28/204073428.db2.gz JBWHRAYEOHUJDU-INIZCTEOSA-N 0 3 380.330 2.435 50 0 GEAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O ZINC000007065614 204232470 /nfs/dbraw/zinc/23/24/70/204232470.db2.gz QQKTYPYRTMFPOG-UHFFFAOYSA-N 0 3 387.505 2.000 50 0 GEAAHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008367153 204274310 /nfs/dbraw/zinc/27/43/10/204274310.db2.gz RZFVMKOUCXUEGS-IBGZPJMESA-N 0 3 399.516 2.231 50 0 GEAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 ZINC000009917348 204327389 /nfs/dbraw/zinc/32/73/89/204327389.db2.gz HWHBJQFIPWSWAC-UHFFFAOYSA-N 0 3 379.460 2.327 50 0 GEAAHN C[C@@H](CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1)c1ccccc1 ZINC000012024754 204367467 /nfs/dbraw/zinc/36/74/67/204367467.db2.gz IQSXJWFLWUFNTJ-KRWDZBQOSA-N 0 3 390.491 2.265 50 0 GEAAHN CCOc1cc(CN2CCC3(CC[C@H](CNC(=O)COC)O3)CC2)ccc1O ZINC000012198126 204381474 /nfs/dbraw/zinc/38/14/74/204381474.db2.gz KGYPKPNIQWWOPU-QGZVFWFLSA-N 0 3 392.496 2.067 50 0 GEAAHN CN1CCN(C)[C@H](CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000039461034 205041995 /nfs/dbraw/zinc/04/19/95/205041995.db2.gz PNQGWYGUMGJQMX-MRXNPFEDSA-N 0 3 390.434 2.404 50 0 GEAAHN CN(CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)Cc1ccccc1 ZINC000040072646 205049308 /nfs/dbraw/zinc/04/93/08/205049308.db2.gz OBQPKKPXAQLWQS-LJQANCHMSA-N 0 3 380.492 2.068 50 0 GEAAHN Cc1ccccc1COc1ccc(CNCCNC(=O)c2nonc2N)cc1 ZINC000040744452 205070992 /nfs/dbraw/zinc/07/09/92/205070992.db2.gz KPFBGHSOTJBCSW-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN CN(C)[C@@H](CNC(=O)Cn1nc(-c2ccccc2)ccc1=O)Cc1ccccc1 ZINC000048364675 205120783 /nfs/dbraw/zinc/12/07/83/205120783.db2.gz AQROWIYVYIOKNT-HXUWFJFHSA-N 0 3 390.487 2.199 50 0 GEAAHN O=C1C2=C(CN1CCN1CCCC1)NC(=O)N[C@H]2c1ccccc1C(F)(F)F ZINC000057531459 205158852 /nfs/dbraw/zinc/15/88/52/205158852.db2.gz IOWFWYOSMUUTCR-INIZCTEOSA-N 0 3 394.397 2.251 50 0 GEAAHN CCN1CCC[C@@](C)(C(=O)N2CCC3(CC2)NC(CCC(C)C)=NC3=O)C1 ZINC000055118992 205143149 /nfs/dbraw/zinc/14/31/49/205143149.db2.gz YZUYTGDTEWXNKR-HXUWFJFHSA-N 0 3 376.545 2.434 50 0 GEAAHN NC(=O)CCn1cc(CN2CCC(Oc3ncccn3)CC2)c2ccccc21 ZINC000055212039 205144825 /nfs/dbraw/zinc/14/48/25/205144825.db2.gz LLYBPGFULNBOAO-UHFFFAOYSA-N 0 3 379.464 2.350 50 0 GEAAHN COc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N(C)[C@@H]1CCN(C)C1 ZINC000063834592 205186581 /nfs/dbraw/zinc/18/65/81/205186581.db2.gz ARHOOQQECBJREN-OAHLLOKOSA-N 0 3 379.464 2.420 50 0 GEAAHN COc1cc(CN2C[C@H](O)[C@@H](OC(C)C)C2)ccc1OCCN1CCCC1 ZINC000063832565 205187971 /nfs/dbraw/zinc/18/79/71/205187971.db2.gz ZYCYBIOMWHRFPU-RXVVDRJESA-N 0 3 378.513 2.140 50 0 GEAAHN Cc1sc2nc(CCC(=O)NCCN3CCC[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058195531 205166842 /nfs/dbraw/zinc/16/68/42/205166842.db2.gz DXDMEPLLVWVZHM-LBPRGKRZSA-N 0 3 376.526 2.382 50 0 GEAAHN CCOC(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000058441183 205176322 /nfs/dbraw/zinc/17/63/22/205176322.db2.gz WBTFWQUUBCFYDB-YLJYHZDGSA-N 0 3 387.524 2.041 50 0 GEAAHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348590 205181537 /nfs/dbraw/zinc/18/15/37/205181537.db2.gz AWMYCHKPJWXFCV-MRXNPFEDSA-N 0 3 375.485 2.001 50 0 GEAAHN C[C@@H]1CCCCN1CCNC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987475 205205204 /nfs/dbraw/zinc/20/52/04/205205204.db2.gz VUDSNSHDFPCZGH-CQSZACIVSA-N 0 3 383.496 2.489 50 0 GEAAHN CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)CC1 ZINC000065362757 205230113 /nfs/dbraw/zinc/23/01/13/205230113.db2.gz NZTPHXIFQMQGPC-UHFFFAOYSA-N 0 3 399.944 2.339 50 0 GEAAHN Cc1ccc(N([C@@H](C)C(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1Cl ZINC000065361809 205230743 /nfs/dbraw/zinc/23/07/43/205230743.db2.gz MGYPJPJWAUUWGP-ZDUSSCGKSA-N 0 3 387.933 2.013 50 0 GEAAHN CN(C)CCNC(=O)c1cc2n(n1)CCCN(c1nccc3ccccc31)C2 ZINC000065370682 205232290 /nfs/dbraw/zinc/23/22/90/205232290.db2.gz OFPPMWYMLQRMOH-UHFFFAOYSA-N 0 3 378.480 2.133 50 0 GEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000065365525 205232614 /nfs/dbraw/zinc/23/26/14/205232614.db2.gz IVQDGIXAZUGGGU-KRWDZBQOSA-N 0 3 381.542 2.058 50 0 GEAAHN COCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)CCN2C ZINC000067514018 205249205 /nfs/dbraw/zinc/24/92/05/205249205.db2.gz XQBQTJRZKBEIEA-UHFFFAOYSA-N 0 3 379.932 2.485 50 0 GEAAHN Cc1cccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 ZINC000067620567 205250492 /nfs/dbraw/zinc/25/04/92/205250492.db2.gz AIDWDLNSNJSHPG-UHFFFAOYSA-N 0 3 375.498 2.084 50 0 GEAAHN CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nc(C)n1 ZINC000067604534 205251018 /nfs/dbraw/zinc/25/10/18/205251018.db2.gz FAQANCWETGOAKW-UHFFFAOYSA-N 0 3 385.468 2.196 50 0 GEAAHN O=c1[nH]c2cc(F)ccc2cc1Cn1cnc2sc3c(c2c1=O)CCNC3 ZINC000067587960 205251553 /nfs/dbraw/zinc/25/15/53/205251553.db2.gz SJELKZVQVCKWIY-UHFFFAOYSA-N 0 3 382.420 2.133 50 0 GEAAHN Cc1nc2ncccc2cc1C(=O)N[C@@H](CC(C)C)c1nnc2n1CCNCC2 ZINC000067856293 205264590 /nfs/dbraw/zinc/26/45/90/205264590.db2.gz UVVYWYXQBGTZLB-KRWDZBQOSA-N 0 3 393.495 2.193 50 0 GEAAHN O=C(CN1CCC[C@@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955738 205268840 /nfs/dbraw/zinc/26/88/40/205268840.db2.gz DZWOHJPVXHWQDJ-GOSISDBHSA-N 0 3 386.471 2.379 50 0 GEAAHN Cc1nnnn1-c1cccc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1 ZINC000071285367 205281103 /nfs/dbraw/zinc/28/11/03/205281103.db2.gz YXTNRCQOFQEERJ-UHFFFAOYSA-N 0 3 376.464 2.365 50 0 GEAAHN CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCCSC[C@H]2CN(C)C)cc1 ZINC000090700131 205276666 /nfs/dbraw/zinc/27/66/66/205276666.db2.gz JNDZIOJUXAWGRZ-QGZVFWFLSA-N 0 3 398.594 2.307 50 0 GEAAHN CCOC(=O)[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1ccccn1)C2 ZINC000072145978 205310049 /nfs/dbraw/zinc/31/00/49/205310049.db2.gz MMKZRVJKYAMBOZ-SYYKKAFVSA-N 0 3 387.524 2.338 50 0 GEAAHN Cc1ccc([C@H]2CN(C(=O)c3cccn(C)c3=O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072149421 205311569 /nfs/dbraw/zinc/31/15/69/205311569.db2.gz OSCVKIKJRRWVCV-NJDAHSKKSA-N 0 3 377.488 2.396 50 0 GEAAHN CCN1CCC[C@H]1CN1Cc2c(cccc2C(=O)N(C)Cc2cc[nH]n2)C1=O ZINC000072435865 205350100 /nfs/dbraw/zinc/35/01/00/205350100.db2.gz HHTCFAMSXOWSBO-INIZCTEOSA-N 0 3 381.480 2.122 50 0 GEAAHN CC(=O)N[C@@H]1CN(CCCOc2ccc(C(N)=O)cc2)C[C@H]1c1ccc(C)cc1 ZINC000077393055 205360937 /nfs/dbraw/zinc/36/09/37/205360937.db2.gz YYXBJXWZLQLUBK-FCHUYYIVSA-N 0 3 395.503 2.467 50 0 GEAAHN Cc1c(CN2CCC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)CC2)cnn1C ZINC000082096713 205384750 /nfs/dbraw/zinc/38/47/50/205384750.db2.gz OZARJHWSMCBPAK-SFHVURJKSA-N 0 3 384.480 2.171 50 0 GEAAHN CN(C)CCN1C[C@@]2(CCCN(C(=O)CCc3ccsc3)C2)CCC1=O ZINC000082086651 205385868 /nfs/dbraw/zinc/38/58/68/205385868.db2.gz CUDUKPFWDWUSNX-FQEVSTJZSA-N 0 3 377.554 2.474 50 0 GEAAHN CN1CCN2C[C@@H](NC(=O)c3ccc4nc(-c5ccccc5)cn4c3)C[C@H]2C1 ZINC000082096848 205386432 /nfs/dbraw/zinc/38/64/32/205386432.db2.gz ZKVLIBUDJDFMNS-OALUTQOASA-N 0 3 375.476 2.119 50 0 GEAAHN CN(C)CCN1CC2(CCC1=O)CCN(C(=O)c1cccc(N(C)C)c1)CC2 ZINC000095364047 205445104 /nfs/dbraw/zinc/44/51/04/205445104.db2.gz BKSDDZYYJAOVJO-UHFFFAOYSA-N 0 3 386.540 2.159 50 0 GEAAHN C[C@H](C(=O)N(C)C1CCN(CCn2cccn2)CC1)N1CCc2ccccc21 ZINC000171934153 205864234 /nfs/dbraw/zinc/86/42/34/205864234.db2.gz YATOETPODIFICW-GOSISDBHSA-N 0 3 381.524 2.257 50 0 GEAAHN CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN([C@@H]3CCSC3)CC2)cc1 ZINC000225573534 206059452 /nfs/dbraw/zinc/05/94/52/206059452.db2.gz AQPNYIKLJSWBMV-QGZVFWFLSA-N 0 3 397.566 2.141 50 0 GEAAHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000230240601 206112297 /nfs/dbraw/zinc/11/22/97/206112297.db2.gz VDDFYRUAOSYGIE-XMTFNYHQSA-N 0 3 379.545 2.124 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)CSc2nnc(N)s2)C1 ZINC000244884397 206130554 /nfs/dbraw/zinc/13/05/54/206130554.db2.gz YLPXRMDPNMJMEJ-CYBMUJFWSA-N 0 3 377.539 2.127 50 0 GEAAHN CC[C@H](C)c1ccc(NC(=O)CN2CCC3(CC2)C(=O)NCCCN3C)cc1 ZINC000244811589 206132134 /nfs/dbraw/zinc/13/21/34/206132134.db2.gz SHJLXFNNDJXQAR-KRWDZBQOSA-N 0 3 386.540 2.425 50 0 GEAAHN CC(C)N1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000248027485 206136919 /nfs/dbraw/zinc/13/69/19/206136919.db2.gz MPGQLSBYNACEIY-GOSISDBHSA-N 0 3 383.540 2.338 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2ocnc2C)CC1 ZINC000012074060 221146727 /nfs/dbraw/zinc/14/67/27/221146727.db2.gz ROXVJRBJCJUEKL-QGZVFWFLSA-N 0 3 376.501 2.216 50 0 GEAAHN C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000072308419 136168109 /nfs/dbraw/zinc/16/81/09/136168109.db2.gz AQXKZGVPGWOFCX-SFHVURJKSA-N 0 3 388.556 2.196 50 0 GEAAHN CCN(C)C(=O)CN1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426489857 529121060 /nfs/dbraw/zinc/12/10/60/529121060.db2.gz CHQYIWAVFOGPQM-HXUWFJFHSA-N 0 3 379.451 2.258 50 0 GEAAHN Cc1cccc(CN2CCC(c3nnc(CN4CCN(C)CC4)n3C)CC2)c1 ZINC000096131762 570211020 /nfs/dbraw/zinc/21/10/20/570211020.db2.gz XANJNELYOXGEGU-UHFFFAOYSA-N 0 3 382.556 2.251 50 0 GEAAHN Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000096150554 570215245 /nfs/dbraw/zinc/21/52/45/570215245.db2.gz JNBVGWAITWQYEA-UHFFFAOYSA-N 0 3 392.467 2.423 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1COc3ccccc3O1)CC2 ZINC000096160493 570216940 /nfs/dbraw/zinc/21/69/40/570216940.db2.gz QDKSGMVUICXSMM-LJQANCHMSA-N 0 3 396.491 2.336 50 0 GEAAHN Cc1cccc(Cn2nc(-c3ccncc3)nc2C[C@H]2CN(C)CCN2C)c1 ZINC000096162945 570217247 /nfs/dbraw/zinc/21/72/47/570217247.db2.gz NNNLERQAHLBBBP-FQEVSTJZSA-N 0 3 376.508 2.485 50 0 GEAAHN Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@H](c2ccccc2)CN(C)C3)c1 ZINC000096165968 570218286 /nfs/dbraw/zinc/21/82/86/570218286.db2.gz TYCDWYAQNGSMMP-SFHVURJKSA-N 0 3 388.537 2.310 50 0 GEAAHN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CN2CCN(C)CC2)[C@H]3CCC1 ZINC000019940198 570232832 /nfs/dbraw/zinc/23/28/32/570232832.db2.gz ZJUNKOUVYZCWIZ-AVRDEDQJSA-N 0 3 382.552 2.251 50 0 GEAAHN O=C(Cn1[nH]c2ccccc2c1=O)NCCN1CCC[C@H](c2ccccc2)C1 ZINC000097514967 570245251 /nfs/dbraw/zinc/24/52/51/570245251.db2.gz FRLBDCHVRYHHNS-SFHVURJKSA-N 0 3 378.476 2.325 50 0 GEAAHN CCN1CCN(C(=O)CCC2CCN(Cc3cnc(SC)nc3)CC2)CC1 ZINC000020204206 570247406 /nfs/dbraw/zinc/24/74/06/570247406.db2.gz NQEZELQELBZHDX-UHFFFAOYSA-N 0 3 391.585 2.355 50 0 GEAAHN O=C(Cn1ncc2ccccc2c1=O)NC1CCN(Cc2cccs2)CC1 ZINC000097766721 570253929 /nfs/dbraw/zinc/25/39/29/570253929.db2.gz AGPWWHOYKMFZSQ-UHFFFAOYSA-N 0 3 382.489 2.239 50 0 GEAAHN Cc1ccccc1CN1CCN(Cc2ccc(OCCO)cc2)C[C@H]1CCO ZINC000104509570 570259216 /nfs/dbraw/zinc/25/92/16/570259216.db2.gz NFLDXCVZMWMXNG-JOCHJYFZSA-N 0 3 384.520 2.435 50 0 GEAAHN CN1c2ccc(S(=O)(=O)NCCCN3CCCCC3)cc2C(C)(C)C1=O ZINC000015822428 570266881 /nfs/dbraw/zinc/26/68/81/570266881.db2.gz FJPZTUNMTFBSSQ-UHFFFAOYSA-N 0 3 379.526 2.095 50 0 GEAAHN CC(C)=CCN1CCN(Cc2cccc(OCCN(C)C)c2)C[C@@H]1CCO ZINC000020773824 570279903 /nfs/dbraw/zinc/27/99/03/570279903.db2.gz AGDXUJOKRDNERU-NRFANRHFSA-N 0 3 375.557 2.462 50 0 GEAAHN CCN1CCN(C[C@H](O)COc2cccc(CNCc3ccccc3)c2)CC1 ZINC000020919761 570285011 /nfs/dbraw/zinc/28/50/11/570285011.db2.gz JHOXFASPJMFNOC-QFIPXVFZSA-N 0 3 383.536 2.354 50 0 GEAAHN Cc1cc(CN(C)C(=O)[C@H]2[C@@H]3CN(Cc4ccc(-c5cc[nH]n5)o4)C[C@@H]32)on1 ZINC000102654142 570291068 /nfs/dbraw/zinc/29/10/68/570291068.db2.gz PDTRQVABSFVFTC-MNZLEMJZSA-N 0 3 381.436 2.303 50 0 GEAAHN C[C@H](C(=O)NCCN1CCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944849 570298622 /nfs/dbraw/zinc/29/86/22/570298622.db2.gz FIPBGEDIQWVZQC-GFCCVEGCSA-N 0 3 382.386 2.188 50 0 GEAAHN CCCOc1ccc(OCCN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1 ZINC000107411308 570309574 /nfs/dbraw/zinc/30/95/74/570309574.db2.gz AXVYFJYLCDSGOI-OAQYLSRUSA-N 0 3 375.513 2.141 50 0 GEAAHN COc1ccc([C@@H](CNC(=O)CCNC(=O)c2ccccc2OC)N(C)C)cc1 ZINC000022438983 570317206 /nfs/dbraw/zinc/31/72/06/570317206.db2.gz RHNVQEQLIRERSI-LJQANCHMSA-N 0 3 399.491 2.243 50 0 GEAAHN CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1cccc(-n3cccn3)c1)C2 ZINC000218882878 570342760 /nfs/dbraw/zinc/34/27/60/570342760.db2.gz HOFPLEVGHQMWQQ-NRFANRHFSA-N 0 3 380.496 2.070 50 0 GEAAHN CC[C@@H]1CN(CC(=O)NC(=O)NC2CCCCC2)[C@@H](CC)CN1CC(C)(C)O ZINC000225409149 570375119 /nfs/dbraw/zinc/37/51/19/570375119.db2.gz SBMBFSDOVIYPIW-ZWKOTPCHSA-N 0 3 396.576 2.091 50 0 GEAAHN CC(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(CC(C)C)CC(C)C)c1 ZINC000035514139 570389168 /nfs/dbraw/zinc/38/91/68/570389168.db2.gz DDYQLYMPTHUYHA-UHFFFAOYSA-N 0 3 375.517 2.204 50 0 GEAAHN CCCn1nc(C(=O)NC[C@@H](C(C)C)N2CCc3ccccc3C2)ccc1=O ZINC000025535227 570415268 /nfs/dbraw/zinc/41/52/68/570415268.db2.gz VLUVORDDMGEQRT-FQEVSTJZSA-N 0 3 382.508 2.466 50 0 GEAAHN COc1ccc(CCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCCC2)cc1OC ZINC000222883554 570429751 /nfs/dbraw/zinc/42/97/51/570429751.db2.gz OAFJVFJQMYGWQV-IDZYALCFSA-N 0 3 388.508 2.394 50 0 GEAAHN COc1cccc(CN2CCN(c3nc(CN4CCCCC4)cc(=O)[nH]3)CC2)c1 ZINC000035925351 570479677 /nfs/dbraw/zinc/47/96/77/570479677.db2.gz VDQKIOLRJNMMQM-UHFFFAOYSA-N 0 3 397.523 2.087 50 0 GEAAHN Cc1cccc(N2CCN(CCCNc3cnn(C)c(=O)c3Cl)CC2)c1 ZINC000029998357 570484071 /nfs/dbraw/zinc/48/40/71/570484071.db2.gz WZCLONHJCDBTDL-UHFFFAOYSA-N 0 3 375.904 2.366 50 0 GEAAHN CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccc(C(C)(C)C)cc1 ZINC000012628452 570692459 /nfs/dbraw/zinc/69/24/59/570692459.db2.gz UPGDBOVDLFRQJB-UHFFFAOYSA-N 0 3 397.523 2.253 50 0 GEAAHN COc1ccc(-c2noc(CN3CCC(C(N)=O)(N4CCCCC4)CC3)n2)cc1 ZINC000012713224 570703330 /nfs/dbraw/zinc/70/33/30/570703330.db2.gz CLTZCJPNGVRHCT-UHFFFAOYSA-N 0 3 399.495 2.051 50 0 GEAAHN C/C(=C\c1ccccc1)CN1CCC(n2cc(C(=O)N3CCOCC3)nn2)CC1 ZINC000012456754 570733795 /nfs/dbraw/zinc/73/37/95/570733795.db2.gz ACUQSGAYBQPMGG-OBGWFSINSA-N 0 3 395.507 2.491 50 0 GEAAHN CN(C(=O)Nc1cccc(S(N)(=O)=O)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000268492337 570807300 /nfs/dbraw/zinc/80/73/00/570807300.db2.gz OZNVFOXOZRFISY-KRWDZBQOSA-N 0 3 388.493 2.072 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(Cc1ccccc1)C(=O)N2C ZINC000014540485 570849082 /nfs/dbraw/zinc/84/90/82/570849082.db2.gz SVVGZUOJACQRLC-UHFFFAOYSA-N 0 3 381.480 2.157 50 0 GEAAHN CN(C(=O)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1)C1CCN(C)CC1 ZINC000014977470 570868548 /nfs/dbraw/zinc/86/85/48/570868548.db2.gz KRDRVCJGEWUFMH-QGZVFWFLSA-N 0 3 375.488 2.159 50 0 GEAAHN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000102997933 570873089 /nfs/dbraw/zinc/87/30/89/570873089.db2.gz BLSJLQRQSPIYCL-PMACEKPBSA-N 0 3 397.519 2.333 50 0 GEAAHN CCN(Cc1nccn1C)C(=O)c1ccc(N(C)C[C@@H]2CCCCN2C)nc1 ZINC000015069519 570876775 /nfs/dbraw/zinc/87/67/75/570876775.db2.gz SLAHACRLPPTJQI-SFHVURJKSA-N 0 3 384.528 2.398 50 0 GEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cncn1 ZINC000015073672 570877767 /nfs/dbraw/zinc/87/77/67/570877767.db2.gz FQTQEMFKBYOSDU-FQEVSTJZSA-N 0 3 399.539 2.480 50 0 GEAAHN NC(=O)CCn1cc(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)cn1 ZINC000534648514 570917282 /nfs/dbraw/zinc/91/72/82/570917282.db2.gz PCUFJRYTCZHCBK-UHFFFAOYSA-N 0 3 383.496 2.031 50 0 GEAAHN COc1ccc(OCCNCC(=O)N(C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000016695480 570931150 /nfs/dbraw/zinc/93/11/50/570931150.db2.gz RROGDJXTECAEQR-UHFFFAOYSA-N 0 3 388.464 2.339 50 0 GEAAHN CCN1CCC(NC(=S)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 ZINC000017081755 570941655 /nfs/dbraw/zinc/94/16/55/570941655.db2.gz FLWJVXIMHCJFJN-UHFFFAOYSA-N 0 3 399.538 2.400 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2cc3c(cccc3Cl)[nH]2)C[C@@H]1CO ZINC000091434709 571007805 /nfs/dbraw/zinc/00/78/05/571007805.db2.gz FGOXQAQHRCJVTC-ZIAGYGMSSA-N 0 3 379.888 2.080 50 0 GEAAHN Nc1ncccc1CN1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091526358 571012487 /nfs/dbraw/zinc/01/24/87/571012487.db2.gz BRJJIFIVFRBVFA-UHFFFAOYSA-N 0 3 382.512 2.155 50 0 GEAAHN OC[C@H]1CN(c2ncc(Cl)cc2C(F)(F)F)C[C@H]1CN1CCC(O)CC1 ZINC000091548162 571013607 /nfs/dbraw/zinc/01/36/07/571013607.db2.gz BSHCHZCRFFFQNW-VXGBXAGGSA-N 0 3 393.837 2.255 50 0 GEAAHN O=C(CCn1cnc2sccc2c1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012767290 571018987 /nfs/dbraw/zinc/01/89/87/571018987.db2.gz ZIGLYSAVDHSMSF-MRXNPFEDSA-N 0 3 382.489 2.239 50 0 GEAAHN C[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)N1CCCC1 ZINC000091656175 571023097 /nfs/dbraw/zinc/02/30/97/571023097.db2.gz OYIBLBJTALXTMU-GOSISDBHSA-N 0 3 384.524 2.297 50 0 GEAAHN CC(=O)N[C@@H]1CN(CCCOc2ccc(C(N)=O)cc2)C[C@H]1c1ccc(C)o1 ZINC000091782338 571030774 /nfs/dbraw/zinc/03/07/74/571030774.db2.gz VFZHATNDLAEEDH-RTBURBONSA-N 0 3 385.464 2.060 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccn(C(C)(C)C)c3)C[C@H]2CCCO)CC1 ZINC000095355876 571051780 /nfs/dbraw/zinc/05/17/80/571051780.db2.gz MNZYDDDRMWMNIQ-QUCCMNQESA-N 0 3 390.572 2.094 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 ZINC000095356603 571052478 /nfs/dbraw/zinc/05/24/78/571052478.db2.gz AVRUMEJBKJUMCA-LJQANCHMSA-N 0 3 383.540 2.459 50 0 GEAAHN Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)C2(c3ccccc3)CCN(C)CC2)on1 ZINC000095364537 571057464 /nfs/dbraw/zinc/05/74/64/571057464.db2.gz UDOGIRZAOIJZLC-XLIONFOSSA-N 0 3 383.492 2.320 50 0 GEAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(C(=O)N3CCOCC3)cc1)C2 ZINC000095390763 571072731 /nfs/dbraw/zinc/07/27/31/571072731.db2.gz VGJFQUOGKATBHR-YLJYHZDGSA-N 0 3 385.508 2.105 50 0 GEAAHN COc1ccc(CN(C)CC(C)(C)C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000095499476 571075328 /nfs/dbraw/zinc/07/53/28/571075328.db2.gz JVOIGOKLEWRWBA-IBGZPJMESA-N 0 3 393.572 2.160 50 0 GEAAHN O=C(CCC1CCN(CCn2cnnc2)CC1)Nc1ccc2c(c1)OCCO2 ZINC000095499480 571075364 /nfs/dbraw/zinc/07/53/64/571075364.db2.gz DYHQFKZFNZTKHP-UHFFFAOYSA-N 0 3 385.468 2.180 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H]2N(C)C)cc1 ZINC000095509063 571080298 /nfs/dbraw/zinc/08/02/98/571080298.db2.gz KYFDXROSFKSDEV-VQTJNVASSA-N 0 3 376.464 2.141 50 0 GEAAHN C[C@@H](CCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)N1CCN(C)CC1 ZINC000095512882 571083014 /nfs/dbraw/zinc/08/30/14/571083014.db2.gz ZBTCBRMVYPBNMS-KRWDZBQOSA-N 0 3 381.524 2.378 50 0 GEAAHN C[C@@H](CCC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)N1CCN(C)CC1 ZINC000095512882 571083016 /nfs/dbraw/zinc/08/30/16/571083016.db2.gz ZBTCBRMVYPBNMS-KRWDZBQOSA-N 0 3 381.524 2.378 50 0 GEAAHN CN(CCCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526262 571090447 /nfs/dbraw/zinc/09/04/47/571090447.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 0 3 384.520 2.299 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3nc4ncccn4n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095526703 571090938 /nfs/dbraw/zinc/09/09/38/571090938.db2.gz LNEKZMSOIDHPDW-IPMKNSEASA-N 0 3 388.475 2.135 50 0 GEAAHN COC(=O)C1CCN(C[C@H](O)COc2cccc(CN3CCCCC3)c2)CC1 ZINC000095529060 571092222 /nfs/dbraw/zinc/09/22/22/571092222.db2.gz KHOOWBMTTOTEIT-FQEVSTJZSA-N 0 3 390.524 2.297 50 0 GEAAHN O=C(C[C@H]1CCNC[C@H]1F)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000888101960 654066190 /nfs/dbraw/zinc/06/61/90/654066190.db2.gz RLWDOTPZMRLMIF-TZMCWYRMSA-N 0 3 396.264 2.365 50 0 GEAAHN O=C(NCc1nc2cc(F)ccc2[nH]1)N1CCCO[C@H](CN2CCCC2)C1 ZINC000426377974 231210000 /nfs/dbraw/zinc/21/00/00/231210000.db2.gz KUGUYVFIBRUOEF-OAHLLOKOSA-N 0 3 375.448 2.098 50 0 GEAAHN CCCCN(CC)CCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000020491852 531584136 /nfs/dbraw/zinc/58/41/36/531584136.db2.gz RYOULGSZPWWXRV-UHFFFAOYSA-N 0 3 389.905 2.071 50 0 GEAAHN O=C1NCCN1C1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000051449891 531741600 /nfs/dbraw/zinc/74/16/00/531741600.db2.gz WURZVVDVSAJOSQ-CQSZACIVSA-N 0 3 388.295 2.223 50 0 GEAAHN COc1ccc(CCN2C(=O)C3=NNN(c4ccccc4)C3C2=O)cc1OC ZINC000004855796 204083638 /nfs/dbraw/zinc/08/36/38/204083638.db2.gz MLRXLAJQHPMYEI-MSOLQXFVSA-N 0 3 380.404 2.240 50 0 GEAAHN CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000004437333 204046430 /nfs/dbraw/zinc/04/64/30/204046430.db2.gz ROAMKAQTTHWHOX-LJQANCHMSA-N 0 3 395.569 2.077 50 0 GEAAHN O=C(CCn1ncc(=O)c2ccccc21)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000008367167 204274065 /nfs/dbraw/zinc/27/40/65/204274065.db2.gz HWGKLEILMYCRNF-SFHVURJKSA-N 0 3 376.460 2.177 50 0 GEAAHN Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCN(C)C)cc2)cc1 ZINC000010111610 204329760 /nfs/dbraw/zinc/32/97/60/204329760.db2.gz VAVKKJLDTNBPFZ-UHFFFAOYSA-N 0 3 375.494 2.112 50 0 GEAAHN CCOCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000011663939 204349073 /nfs/dbraw/zinc/34/90/73/204349073.db2.gz ZYYMNYCUDIFDGS-OKILXGFUSA-N 0 3 380.514 2.161 50 0 GEAAHN O=C(NCCCO)c1cn([C@@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1 ZINC000012190383 204380786 /nfs/dbraw/zinc/38/07/86/204380786.db2.gz PWXLWXPOKBLOGU-MRXNPFEDSA-N 0 3 399.520 2.442 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 ZINC000012281693 204389128 /nfs/dbraw/zinc/38/91/28/204389128.db2.gz LBFFYJOWZWAYIT-IBGZPJMESA-N 0 3 385.512 2.303 50 0 GEAAHN CCc1ccc2nc(C)cc(C(=O)N3CC[C@@H](N4CCC(O)CC4)[C@H](O)C3)c2c1 ZINC000012299253 204390479 /nfs/dbraw/zinc/39/04/79/204390479.db2.gz FGKOLXOUFCNRIO-FGZHOGPDSA-N 0 3 397.519 2.138 50 0 GEAAHN CN(Cc1cc(C2CC2)[nH]n1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012302458 204392156 /nfs/dbraw/zinc/39/21/56/204392156.db2.gz NOCYYYOZKZLFIR-NRFANRHFSA-N 0 3 386.471 2.412 50 0 GEAAHN CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2 ZINC000014749209 204541582 /nfs/dbraw/zinc/54/15/82/204541582.db2.gz CJLKPSRNXGXLSK-MRXNPFEDSA-N 0 3 386.496 2.348 50 0 GEAAHN Cc1nc(NCCNC(=O)Cc2ccc(Cl)cc2)cc(N2CCOCC2)n1 ZINC000038488299 205037182 /nfs/dbraw/zinc/03/71/82/205037182.db2.gz QFTWFAXZKCQEAS-UHFFFAOYSA-N 0 3 389.887 2.046 50 0 GEAAHN CNC(=O)[C@@H]1C[C@H](NCc2ccc(F)cc2F)CN1C1Cc2ccccc2C1 ZINC000039552327 205042855 /nfs/dbraw/zinc/04/28/55/205042855.db2.gz AOTSSRYKUWOGEI-RXVVDRJESA-N 0 3 385.458 2.411 50 0 GEAAHN COc1ccc(-n2cnnc2SCC(=O)NCCN2CCCC[C@@H]2C)cc1 ZINC000040107535 205052368 /nfs/dbraw/zinc/05/23/68/205052368.db2.gz MPMNHNFFWCJXAV-HNNXBMFYSA-N 0 3 389.525 2.359 50 0 GEAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC3CCCC3)n2)cc1 ZINC000040106238 205053091 /nfs/dbraw/zinc/05/30/91/205053091.db2.gz KYUSQJQDMZDDPC-ZDUSSCGKSA-N 0 3 377.466 2.407 50 0 GEAAHN CNC(=O)c1ccc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)c(C)c1 ZINC000040121095 205055853 /nfs/dbraw/zinc/05/58/53/205055853.db2.gz NSNRULPZXNTKMQ-AZUAARDMSA-N 0 3 398.507 2.388 50 0 GEAAHN Cc1ccc(NC(=O)COc2ccc(CNCCN3CCOCC3)cc2)cc1 ZINC000040720749 205068631 /nfs/dbraw/zinc/06/86/31/205068631.db2.gz UHDWTKWISKZPOR-UHFFFAOYSA-N 0 3 383.492 2.434 50 0 GEAAHN C[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000045744769 205096847 /nfs/dbraw/zinc/09/68/47/205096847.db2.gz FZMWMAOYVCAUMZ-MRXNPFEDSA-N 0 3 379.526 2.214 50 0 GEAAHN O=C(N[C@H]1CCN2CCCC[C@H]12)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000046997318 205107944 /nfs/dbraw/zinc/10/79/44/205107944.db2.gz QJEJWRREMXEQKX-LSDHHAIUSA-N 0 3 397.566 2.279 50 0 GEAAHN O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccccc3O1)CC2 ZINC000053113561 205134287 /nfs/dbraw/zinc/13/42/87/205134287.db2.gz JVGBTTIJPBFLTE-SFHVURJKSA-N 0 3 379.460 2.255 50 0 in-man GEAAHN COC(=O)c1ccc(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)s1 ZINC000053237352 205135655 /nfs/dbraw/zinc/13/56/55/205135655.db2.gz NWDAXESIYUMTOJ-UHFFFAOYSA-N 0 3 387.505 2.212 50 0 GEAAHN CCOC(=O)c1ccc(OC[C@H](O)CN(C)Cc2ccc3c(c2)OCO3)cc1 ZINC000053401777 205136859 /nfs/dbraw/zinc/13/68/59/205136859.db2.gz DDNKGHQANQRXSU-QGZVFWFLSA-N 0 3 387.432 2.464 50 0 GEAAHN COc1cc(F)c(S(=O)(=O)N2CCC(N3CCCCC3)CC2)cc1OC ZINC000057991534 205161193 /nfs/dbraw/zinc/16/11/93/205161193.db2.gz IIIMSXPJQFKUBJ-UHFFFAOYSA-N 0 3 386.489 2.482 50 0 GEAAHN O=C(CNC(=O)c1ccc(F)c(F)c1)NCCCN1CCc2ccccc2C1 ZINC000058392100 205175120 /nfs/dbraw/zinc/17/51/20/205175120.db2.gz OQWBNRKXSGKEJR-UHFFFAOYSA-N 0 3 387.430 2.259 50 0 GEAAHN CC(=O)N1CCCSc2ccc(S(=O)(=O)NCCCN3CCCC3)cc21 ZINC000064952246 205201501 /nfs/dbraw/zinc/20/15/01/205201501.db2.gz FTWHFCJARUTDSM-UHFFFAOYSA-N 0 3 397.566 2.300 50 0 GEAAHN C[C@H](C(=O)NCCN1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839542 205196510 /nfs/dbraw/zinc/19/65/10/205196510.db2.gz XCGXKEDHRLWXLR-OAHLLOKOSA-N 0 3 381.480 2.051 50 0 GEAAHN CCN1CCN(CCNC(=O)CCc2cn(C)nc2-c2ccc(C)cc2)CC1 ZINC000064861158 205197873 /nfs/dbraw/zinc/19/78/73/205197873.db2.gz GXXYKIYVMJHTDG-UHFFFAOYSA-N 0 3 383.540 2.082 50 0 GEAAHN COc1cccc(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1OC ZINC000065256983 205223621 /nfs/dbraw/zinc/22/36/21/205223621.db2.gz OJAYVUHDCMNUNQ-GOSISDBHSA-N 0 3 396.491 2.360 50 0 GEAAHN C[C@H](c1nc(-c2ccncc2)no1)n1cnc2sc3c(c2c1=O)CCNC3 ZINC000065395280 205233963 /nfs/dbraw/zinc/23/39/63/205233963.db2.gz WYRUJKPHTSWIHC-SNVBAGLBSA-N 0 3 380.433 2.158 50 0 GEAAHN Cc1nc(CCNC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067727457 205257098 /nfs/dbraw/zinc/25/70/98/205257098.db2.gz HGPOUUDHCGAIQO-OAQYLSRUSA-N 0 3 386.496 2.187 50 0 GEAAHN Cc1ccccc1-c1ncc(CN2CCC3(CC2)C(=O)NCCCN3C)cn1 ZINC000067786163 205260630 /nfs/dbraw/zinc/26/06/30/205260630.db2.gz BBKDSTQSUBHNOD-UHFFFAOYSA-N 0 3 379.508 2.238 50 0 GEAAHN CCn1c(=O)n(CCN(C)C)nc1[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000067803058 205260645 /nfs/dbraw/zinc/26/06/45/205260645.db2.gz UZRSPWGBTGPBQG-MRXNPFEDSA-N 0 3 386.500 2.038 50 0 GEAAHN Cc1cnn(CCNC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)c1 ZINC000067895764 205266410 /nfs/dbraw/zinc/26/64/10/205266410.db2.gz AOVSCNHLVHMFTF-JOCHJYFZSA-N 0 3 384.524 2.458 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2cc(COc3ccc(OC)cc3Cl)[nH]n2)CCN1 ZINC000067981733 205269601 /nfs/dbraw/zinc/26/96/01/205269601.db2.gz ILGLIMDWDLYIEG-GFCCVEGCSA-N 0 3 378.860 2.475 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2cc(COc3ccc(OC)cc3Cl)n[nH]2)CCN1 ZINC000067981733 205269605 /nfs/dbraw/zinc/26/96/05/205269605.db2.gz ILGLIMDWDLYIEG-GFCCVEGCSA-N 0 3 378.860 2.475 50 0 GEAAHN CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174124 205317667 /nfs/dbraw/zinc/31/76/67/205317667.db2.gz UKBILSOTQXGPFB-QGZVFWFLSA-N 0 3 383.496 2.415 50 0 GEAAHN CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174124 205317672 /nfs/dbraw/zinc/31/76/72/205317672.db2.gz UKBILSOTQXGPFB-QGZVFWFLSA-N 0 3 383.496 2.415 50 0 GEAAHN CCN1CCC[C@H]1CN1Cc2c(cccc2C(=O)NCc2ccccn2)C1=O ZINC000072478975 205355706 /nfs/dbraw/zinc/35/57/06/205355706.db2.gz WJTJLDWKPOFYCJ-KRWDZBQOSA-N 0 3 378.476 2.452 50 0 GEAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC000077517800 205363643 /nfs/dbraw/zinc/36/36/43/205363643.db2.gz GUGFAEMFIAKMSK-IBGZPJMESA-N 0 3 378.538 2.182 50 0 GEAAHN COCc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)s1 ZINC000082096439 205385891 /nfs/dbraw/zinc/38/58/91/205385891.db2.gz YGPSAJADPUAJHO-FQEVSTJZSA-N 0 3 393.553 2.301 50 0 GEAAHN COC(=O)C1=C2Nc3cc(OC)ccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23 ZINC000084615182 205396439 /nfs/dbraw/zinc/39/64/39/205396439.db2.gz ASAFZNAXYPDIJR-MCLJMYSDSA-N 0 3 382.460 2.201 50 0 GEAAHN CC(=O)N1c2ccc(S(=O)(=O)N(C)CC3(N(C)C)CCC3)cc2C[C@H]1C ZINC000170602874 205850745 /nfs/dbraw/zinc/85/07/45/205850745.db2.gz IWVALMXVSQOZIT-CQSZACIVSA-N 0 3 379.526 2.089 50 0 GEAAHN O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN([C@@H]2CCSC2)CC1 ZINC000225571146 206056272 /nfs/dbraw/zinc/05/62/72/206056272.db2.gz USZDTMMIYNXUFH-QGZVFWFLSA-N 0 3 396.578 2.184 50 0 GEAAHN CC(C)NS(=O)(=O)c1ccc(NC[C@H](Cc2ccccc2)N(C)C)nc1 ZINC000032869513 206094151 /nfs/dbraw/zinc/09/41/51/206094151.db2.gz JTYSMKHDPJMAQQ-KRWDZBQOSA-N 0 3 376.526 2.353 50 0 GEAAHN CC1(C)[C@H](C(F)(F)F)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000240278274 206125989 /nfs/dbraw/zinc/12/59/89/206125989.db2.gz DPYVEOBBGLBACZ-CYBMUJFWSA-N 0 3 393.431 2.325 50 0 GEAAHN CC(C)c1nc(CN2CCN(C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)no1 ZINC000230186135 206111989 /nfs/dbraw/zinc/11/19/89/206111989.db2.gz YBIYTFXYAZNTIF-HXUWFJFHSA-N 0 3 375.517 2.102 50 0 GEAAHN NC(=O)C1CCN(C(=O)C2CCN(C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000241719958 206129986 /nfs/dbraw/zinc/12/99/86/206129986.db2.gz QRBKANPMRICVFN-LJQANCHMSA-N 0 3 391.556 2.304 50 0 GEAAHN CC[C@@H]1CN(CCC(=O)N2CCc3n[nH]cc3C2)Cc2cc(OC)ccc2O1 ZINC000299772354 206187693 /nfs/dbraw/zinc/18/76/93/206187693.db2.gz ZJTXRPMATPRPPZ-QGZVFWFLSA-N 0 3 384.480 2.366 50 0 GEAAHN C[C@@H](Oc1ccccc1-c1ccc(C(=O)NCCN2CCCC2)cc1)C(N)=O ZINC000426369948 533961310 /nfs/dbraw/zinc/96/13/10/533961310.db2.gz NZGRXLXLMVDCLL-MRXNPFEDSA-N 0 3 381.476 2.432 50 0 GEAAHN COC(=O)c1cn(C2CCN(Cc3ccc(F)cc3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263586951 534301796 /nfs/dbraw/zinc/30/17/96/534301796.db2.gz ACZKBXKYELYUMZ-UHFFFAOYSA-N 0 3 384.411 2.439 50 0 GEAAHN O=C(NCc1cn2c(n1)SCC2)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000426478815 534695399 /nfs/dbraw/zinc/69/53/99/534695399.db2.gz NYJIBPRXZVZSFH-UHFFFAOYSA-N 0 3 397.548 2.374 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cn1cc(Cl)cn1)CC2 ZINC000096162635 570217150 /nfs/dbraw/zinc/21/71/50/570217150.db2.gz DKAHCSKFIZOOLX-UHFFFAOYSA-N 0 3 376.892 2.046 50 0 GEAAHN CSCCC(=O)N1CCC2(CCN(Cc3ccccn3)CC2)[C@H](CO)C1 ZINC000097514353 570245314 /nfs/dbraw/zinc/24/53/14/570245314.db2.gz BQVSCUKLDUWKKW-KRWDZBQOSA-N 0 3 377.554 2.258 50 0 GEAAHN NC(=O)[C@H]1CCCN(CCNC(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000097600938 570247705 /nfs/dbraw/zinc/24/77/05/570247705.db2.gz LLMCMKQKBLQCNA-LBPRGKRZSA-N 0 3 375.860 2.207 50 0 GEAAHN CCN(CC)Cc1cccc(NC(=O)N2CCCN(C(=O)COC)CC2)c1 ZINC000097773124 570254826 /nfs/dbraw/zinc/25/48/26/570254826.db2.gz JHSUESPVMGMCQF-UHFFFAOYSA-N 0 3 376.501 2.241 50 0 GEAAHN CCN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc(C)cn3)CC2)[C@H]1O ZINC000020452782 570257718 /nfs/dbraw/zinc/25/77/18/570257718.db2.gz 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ZINC000035378531 570346752 /nfs/dbraw/zinc/34/67/52/570346752.db2.gz BGJJRZGQTKFYFU-UHFFFAOYSA-N 0 3 382.464 2.245 50 0 GEAAHN O=C(C1CCCCC1)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023361303 570356863 /nfs/dbraw/zinc/35/68/63/570356863.db2.gz RRZTTYKWORROFC-DHIUTWEWSA-N 0 3 399.579 2.389 50 0 GEAAHN CCc1c(C(=O)NCc2ccc(CN(C)C)cc2)cnn1-c1ccc(OC)nn1 ZINC000024572463 570386060 /nfs/dbraw/zinc/38/60/60/570386060.db2.gz BRWKCZZYVYKJBU-UHFFFAOYSA-N 0 3 394.479 2.225 50 0 GEAAHN COc1ccc(CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C2CC2)cc1 ZINC000089369002 570446975 /nfs/dbraw/zinc/44/69/75/570446975.db2.gz ZADHJUUYIVBTIX-AWEZNQCLSA-N 0 3 381.494 2.169 50 0 GEAAHN CNC(=O)c1ccc(CNCc2ccccc2N2CCN(C(C)=O)CC2)cc1 ZINC000078729284 570509173 /nfs/dbraw/zinc/50/91/73/570509173.db2.gz ZLTRFJLHAMDBPJ-UHFFFAOYSA-N 0 3 380.492 2.005 50 0 GEAAHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000192893125 570542766 /nfs/dbraw/zinc/54/27/66/570542766.db2.gz AQGNBMQFWKUCMK-OAHLLOKOSA-N 0 3 380.514 2.222 50 0 GEAAHN CN1CCN(C[C@@H]2CCCN(C(=O)NCCSc3ccccc3)C2)CC1 ZINC000362953815 570548529 /nfs/dbraw/zinc/54/85/29/570548529.db2.gz ZKTAIMVDYNPUAP-SFHVURJKSA-N 0 3 376.570 2.448 50 0 GEAAHN CCCN1CCN(C(=O)c2cccnc2N2CCN[C@@H](c3ccccc3)C2)CC1 ZINC000065255751 570753759 /nfs/dbraw/zinc/75/37/59/570753759.db2.gz HVJMTJAAYDLGPF-OAQYLSRUSA-N 0 3 393.535 2.400 50 0 GEAAHN Cc1scc2nc(C(=O)NC3CCN(C)CC3)nc(N3CCSCC3)c12 ZINC000065283400 570780601 /nfs/dbraw/zinc/78/06/01/570780601.db2.gz WKGLUHKUOAUZCL-UHFFFAOYSA-N 0 3 391.566 2.377 50 0 GEAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014732978 570857969 /nfs/dbraw/zinc/85/79/69/570857969.db2.gz LRVDXZONAUPOQL-MRXNPFEDSA-N 0 3 385.508 2.307 50 0 GEAAHN O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(CC3CCCCC3)C[C@H]12 ZINC000014732832 570858044 /nfs/dbraw/zinc/85/80/44/570858044.db2.gz OKSKQSCYNBJAOM-LEWJYISDSA-N 0 3 394.519 2.302 50 0 GEAAHN O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1nnc(-c2ccccc2)[n-]1 ZINC000015062074 570874527 /nfs/dbraw/zinc/87/45/27/570874527.db2.gz DHJQNQHLJGPYEG-JOCHJYFZSA-N 0 3 397.523 2.495 50 0 GEAAHN C[C@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000097095951 570892016 /nfs/dbraw/zinc/89/20/16/570892016.db2.gz WSTIPUMTYFOLAR-QGZVFWFLSA-N 0 3 387.528 2.070 50 0 GEAAHN CN(C)CCSCC(=O)N(C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000083851137 570971358 /nfs/dbraw/zinc/97/13/58/570971358.db2.gz VFVAXVSQDJJPJU-UHFFFAOYSA-N 0 3 377.432 2.397 50 0 GEAAHN Cc1ccccc1CN(C)C(=O)CN[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000108395439 570988482 /nfs/dbraw/zinc/98/84/82/570988482.db2.gz GEIXSHDTIQYZDK-GOTSBHOMSA-N 0 3 395.547 2.426 50 0 GEAAHN O=C(NCCc1nnc2n1CCCCC2)N1CCN(CC2CCCCC2)CC1 ZINC000065445064 571001121 /nfs/dbraw/zinc/00/11/21/571001121.db2.gz MGKWIGAYUPPNEP-UHFFFAOYSA-N 0 3 388.560 2.455 50 0 GEAAHN CCCc1nnc(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)s1 ZINC000091320355 571002960 /nfs/dbraw/zinc/00/29/60/571002960.db2.gz RAFHGTXEBJSWKJ-HNNXBMFYSA-N 0 3 377.558 2.404 50 0 GEAAHN CC(C)NC(=O)CN(C)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000170685077 571010407 /nfs/dbraw/zinc/01/04/07/571010407.db2.gz GPEYNCMLRFHZPE-UHFFFAOYSA-N 0 3 375.488 2.305 50 0 GEAAHN CCN1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091656116 571023145 /nfs/dbraw/zinc/02/31/45/571023145.db2.gz LWZMHKAIFUXYBV-IBGZPJMESA-N 0 3 384.524 2.297 50 0 GEAAHN OC[C@H]1CN(Cc2ccc3cc(Cl)ccc3n2)C[C@H]1CN1CCOCC1 ZINC000091707066 571027014 /nfs/dbraw/zinc/02/70/14/571027014.db2.gz NNQXNYPBJUKXAA-IAGOWNOFSA-N 0 3 375.900 2.261 50 0 GEAAHN CCn1ccnc1CN(C)C(=O)[C@H]1CNC[C@@H](C(=O)Nc2ccc(C)cc2)C1 ZINC000091745671 571029011 /nfs/dbraw/zinc/02/90/11/571029011.db2.gz CCRRFCJQHZNUAQ-DLBZAZTESA-N 0 3 383.496 2.034 50 0 GEAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)CCn1nccc1C)CC2 ZINC000091894566 571035165 /nfs/dbraw/zinc/03/51/65/571035165.db2.gz SOGYTGWVHMBEBR-UHFFFAOYSA-N 0 3 384.528 2.481 50 0 GEAAHN COc1cc(OC)c(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000091895362 571035205 /nfs/dbraw/zinc/03/52/05/571035205.db2.gz KLKPVMLJTNIARF-IBGZPJMESA-N 0 3 381.904 2.144 50 0 GEAAHN COCCN1CC[C@]2(CN(CCc3cccc(F)c3)CCN2C)CCC1=O ZINC000091943085 571037165 /nfs/dbraw/zinc/03/71/65/571037165.db2.gz NNPWACVGKHIXQL-NRFANRHFSA-N 0 3 377.504 2.013 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)n1 ZINC000015671239 571040011 /nfs/dbraw/zinc/04/00/11/571040011.db2.gz OJXSBEKAFQRNPA-UHFFFAOYSA-N 0 3 395.916 2.015 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H]1CO ZINC000092099000 571044945 /nfs/dbraw/zinc/04/49/45/571044945.db2.gz DOKAZLRLDIDDBP-ZIAGYGMSSA-N 0 3 379.888 2.080 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)C2c3ccccc3-c3ccccc32)C[C@@H]1CO ZINC000095353708 571051089 /nfs/dbraw/zinc/05/10/89/571051089.db2.gz SASFNEWZYBYKTA-QZTJIDSGSA-N 0 3 394.515 2.444 50 0 GEAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)CCc3cnn(C)c3)C2)cc1 ZINC000095355298 571052079 /nfs/dbraw/zinc/05/20/79/571052079.db2.gz VURCXFHHRIGNQT-VQTJNVASSA-N 0 3 382.508 2.484 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)Cc3nonc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095357907 571053335 /nfs/dbraw/zinc/05/33/35/571053335.db2.gz IPKGMBCJGVYFKM-IOMROCGXSA-N 0 3 382.464 2.018 50 0 GEAAHN CCc1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cs1 ZINC000095362812 571056585 /nfs/dbraw/zinc/05/65/85/571056585.db2.gz RXPWZGCZSDRYFK-APWZRJJASA-N 0 3 379.570 2.161 50 0 GEAAHN NC(=O)c1ccc(OCCCN2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1 ZINC000095367364 571059477 /nfs/dbraw/zinc/05/94/77/571059477.db2.gz XPIFJXVPAPLZAA-RBUKOAKNSA-N 0 3 385.508 2.277 50 0 GEAAHN C[C@@H]1CN(C(=O)CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)C[C@H](C)O1 ZINC000095386492 571070240 /nfs/dbraw/zinc/07/02/40/571070240.db2.gz ONWKVAUAZBSHDO-ZDWTUXFCSA-N 0 3 389.515 2.358 50 0 GEAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1cnn(Cc2cccc(F)c2)c1 ZINC000095497686 571074408 /nfs/dbraw/zinc/07/44/08/571074408.db2.gz PJKOEJVJCPRXFM-ROUUACIJSA-N 0 3 375.448 2.300 50 0 GEAAHN O=C(C1CC1)N1CCc2nc[nH]c2C12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000095498599 571074876 /nfs/dbraw/zinc/07/48/76/571074876.db2.gz XZBGQAZYBKBEOY-UHFFFAOYSA-N 0 3 394.475 2.424 50 0 GEAAHN CCN(CCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503680 571077480 /nfs/dbraw/zinc/07/74/80/571077480.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 0 3 384.520 2.299 50 0 GEAAHN COc1cccc(CN(C)CC(C)(C)C)c1OC[C@H](O)CN1CCOCC1 ZINC000095504486 571078003 /nfs/dbraw/zinc/07/80/03/571078003.db2.gz GGHQVGRBZWRSFQ-GOSISDBHSA-N 0 3 380.529 2.245 50 0 GEAAHN Cc1n[nH]c(CCC(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 ZINC000095509963 571081220 /nfs/dbraw/zinc/08/12/20/571081220.db2.gz GKSZMRGQGBGMSF-CQSZACIVSA-N 0 3 385.497 2.153 50 0 GEAAHN O=C(NCCN1CC[C@@H](c2ccccc2)C1)Nc1ccc(-n2cnnn2)cc1 ZINC000095516661 571084396 /nfs/dbraw/zinc/08/43/96/571084396.db2.gz XHKNFQZVVMFWOD-QGZVFWFLSA-N 0 3 377.452 2.273 50 0 GEAAHN O[C@@H](COc1ccc(CN2CCC(O)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095517000 571084419 /nfs/dbraw/zinc/08/44/19/571084419.db2.gz KWPOQVTTWISEKF-HSZRJFAPSA-N 0 3 396.531 2.441 50 0 GEAAHN COCCN1CCC[C@@H](CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1 ZINC000670451398 652749773 /nfs/dbraw/zinc/74/97/73/652749773.db2.gz XCGQLXWJCDPYMY-ZDUSSCGKSA-N 0 3 378.897 2.257 50 0 GEAAHN Cc1cc(C)nc(CCNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)n1 ZINC000426380177 231210927 /nfs/dbraw/zinc/21/09/27/231210927.db2.gz WDVHYJAKWWKGBR-UHFFFAOYSA-N 0 3 382.512 2.337 50 0 GEAAHN Cn1c(CN)nnc1SCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC000426485769 231226072 /nfs/dbraw/zinc/22/60/72/231226072.db2.gz OICNNXVGAVZNRP-UHFFFAOYSA-N 0 3 380.949 2.232 50 0 GEAAHN Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000426509892 231232462 /nfs/dbraw/zinc/23/24/62/231232462.db2.gz FJGIFVPZEAFZSJ-MRXNPFEDSA-N 0 3 381.484 2.327 50 0 GEAAHN CCN1CCN([C@H](C)CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000032594041 531653409 /nfs/dbraw/zinc/65/34/09/531653409.db2.gz PWXWTCQDMSVSOK-GFCCVEGCSA-N 0 3 380.341 2.298 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]1 ZINC000053254694 531758297 /nfs/dbraw/zinc/75/82/97/531758297.db2.gz DBLBNNJLRKKVLN-VIFPVBQESA-N 0 3 383.695 2.141 50 0 GEAAHN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1C[C@H](O)CN1 ZINC000238100996 532516711 /nfs/dbraw/zinc/51/67/11/532516711.db2.gz KDKFZAGYLMDJIE-AAEUAGOBSA-N 0 3 382.283 2.158 50 0 GEAAHN CCc1nn([C@@H](C)C(=O)NCCN2CCCCCC2)c(=O)c2cc3occc3n21 ZINC000005149709 204115707 /nfs/dbraw/zinc/11/57/07/204115707.db2.gz QVGXWTWBZFORRU-HNNXBMFYSA-N 0 3 399.495 2.358 50 0 GEAAHN Cc1nc2ncnn2c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004936066 204094020 /nfs/dbraw/zinc/09/40/20/204094020.db2.gz GSVSLXJBGLNDAS-UHFFFAOYSA-N 0 3 392.507 2.455 50 0 GEAAHN CN(C)CCNC(=O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 ZINC000006833428 204214159 /nfs/dbraw/zinc/21/41/59/204214159.db2.gz NLWPJODAIUKIEW-QGZVFWFLSA-N 0 3 377.460 2.005 50 0 GEAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccccc3OC)CC2)CC1 ZINC000006891837 204220182 /nfs/dbraw/zinc/22/01/82/204220182.db2.gz KAYAOOUMFSAXBH-UHFFFAOYSA-N 0 3 389.496 2.208 50 0 GEAAHN COc1cccc2c1Oc1ncccc1N(C(=O)CCC(=O)NCCN(C)C)C2 ZINC000006902136 204222225 /nfs/dbraw/zinc/22/22/25/204222225.db2.gz XVIBAGYIXOFSHC-UHFFFAOYSA-N 0 3 398.463 2.187 50 0 GEAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCCN1CCC[C@H](C)C1 ZINC000006998653 204228669 /nfs/dbraw/zinc/22/86/69/204228669.db2.gz FYYLXASOZBTWFB-ZDUSSCGKSA-N 0 3 385.530 2.209 50 0 GEAAHN Cc1ccc(-c2nnc(CCC(=O)NCCCN3CCC[C@@H](O)C3)o2)s1 ZINC000011663002 204350154 /nfs/dbraw/zinc/35/01/54/204350154.db2.gz BMHHOVBWYXIWPS-CQSZACIVSA-N 0 3 378.498 2.002 50 0 GEAAHN CN(CCO)C(=O)c1cn([C@@H]2CCCN(Cc3ccc4ccccc4c3)C2)nn1 ZINC000012048563 204369272 /nfs/dbraw/zinc/36/92/72/204369272.db2.gz XBHQRBDOZFVDRF-HXUWFJFHSA-N 0 3 393.491 2.333 50 0 GEAAHN Cc1ccccc1NC(=O)c1cn(CCNCc2ccc3c(c2)OCO3)nn1 ZINC000012080101 204369842 /nfs/dbraw/zinc/36/98/42/204369842.db2.gz AXCYBGRXMZWONQ-UHFFFAOYSA-N 0 3 379.420 2.357 50 0 GEAAHN O=C(CCc1cccnc1)NCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2 ZINC000012156183 204376941 /nfs/dbraw/zinc/37/69/41/204376941.db2.gz KCMHTLTWNUVWOY-IBGZPJMESA-N 0 3 394.523 2.137 50 0 GEAAHN O=C(NCCCO)c1cn([C@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1 ZINC000012190384 204381158 /nfs/dbraw/zinc/38/11/58/204381158.db2.gz PWXLWXPOKBLOGU-INIZCTEOSA-N 0 3 399.520 2.442 50 0 GEAAHN COCC(=O)N[C@H](c1nnc2n1CCN(CC1CCCCC1)CC2)C(C)C ZINC000012218401 204384324 /nfs/dbraw/zinc/38/43/24/204384324.db2.gz MROANSPKORGZFJ-IBGZPJMESA-N 0 3 377.533 2.176 50 0 GEAAHN COc1ccc(CCN[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000019731484 204678324 /nfs/dbraw/zinc/67/83/24/204678324.db2.gz GLQMJMMWJOOUBT-SFHVURJKSA-N 0 3 382.460 2.206 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3ccco3)c(C)c2)CC1 ZINC000036632471 205019891 /nfs/dbraw/zinc/01/98/91/205019891.db2.gz RJYRNSYDXPFDMW-UHFFFAOYSA-N 0 3 384.480 2.489 50 0 GEAAHN CN1CCN(Cc2ccc(CNC(=O)Nc3nnc(C4CC4)s3)cc2)CC1 ZINC000040145419 205058234 /nfs/dbraw/zinc/05/82/34/205058234.db2.gz UZXCDNNDNRALNM-UHFFFAOYSA-N 0 3 386.525 2.485 50 0 GEAAHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000046439202 205106646 /nfs/dbraw/zinc/10/66/46/205106646.db2.gz NIZLRDSWDBVMLU-UHFFFAOYSA-N 0 3 389.521 2.015 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000046945898 205108628 /nfs/dbraw/zinc/10/86/28/205108628.db2.gz AXWUYMGIKMADFC-HOTGVXAUSA-N 0 3 387.571 2.061 50 0 GEAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@H+]3CCC[C@@H](CO)C3)cc2)[n-]1 ZINC000048319806 205119881 /nfs/dbraw/zinc/11/98/81/205119881.db2.gz YNWNCFNPVHYZHG-GOSISDBHSA-N 0 3 393.491 2.080 50 0 GEAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@@H+]3CCC[C@@H](CO)C3)cc2)[n-]1 ZINC000048319806 205119885 /nfs/dbraw/zinc/11/98/85/205119885.db2.gz YNWNCFNPVHYZHG-GOSISDBHSA-N 0 3 393.491 2.080 50 0 GEAAHN CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](C(C)C)N2CCCC2)cc1 ZINC000058175506 205167283 /nfs/dbraw/zinc/16/72/83/205167283.db2.gz KJXYHLKAKJYULS-IBGZPJMESA-N 0 3 395.569 2.454 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nc(C)n1 ZINC000065361910 205231041 /nfs/dbraw/zinc/23/10/41/205231041.db2.gz SXVILXVOUDTLKZ-UHFFFAOYSA-N 0 3 389.525 2.345 50 0 GEAAHN Cc1nc2c(c(=O)n1C)CCN(Cc1cccc(Oc3ncccn3)c1)CC2 ZINC000065375088 205231957 /nfs/dbraw/zinc/23/19/57/205231957.db2.gz BJPJLQBDMDDEDD-UHFFFAOYSA-N 0 3 377.448 2.272 50 0 GEAAHN CN(c1ccc(C(=O)NC2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000067603687 205250007 /nfs/dbraw/zinc/25/00/07/205250007.db2.gz WNPQJYNIBRRMIX-UHFFFAOYSA-N 0 3 387.505 2.336 50 0 GEAAHN CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)ccc21 ZINC000067604255 205251473 /nfs/dbraw/zinc/25/14/73/205251473.db2.gz XCWPYUNMWVKEHQ-HOTGVXAUSA-N 0 3 393.553 2.242 50 0 GEAAHN CCc1cccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c1 ZINC000067629468 205252182 /nfs/dbraw/zinc/25/21/82/205252182.db2.gz LRHJISJXQBBLRG-UHFFFAOYSA-N 0 3 384.484 2.418 50 0 GEAAHN CN(Cc1ccc2nonc2c1)C[C@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000067724419 205255717 /nfs/dbraw/zinc/25/57/17/205255717.db2.gz HRSGHWYMLCVNEA-OAQYLSRUSA-N 0 3 398.438 2.347 50 0 GEAAHN CNC(=O)[C@H]1CCN(Cc2cccc(C(=O)Nc3cccc(CO)c3C)c2)C1 ZINC000067727451 205257552 /nfs/dbraw/zinc/25/75/52/205257552.db2.gz JEKYBGCMCOSVQW-SFHVURJKSA-N 0 3 381.476 2.308 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@@H]3c3nc(C)no3)cnn2c1 ZINC000067739977 205257643 /nfs/dbraw/zinc/25/76/43/205257643.db2.gz HVSYLTGYUUNQJY-MRXNPFEDSA-N 0 3 383.456 2.240 50 0 GEAAHN O=C(CN1CCC(O)CC1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067740679 205258858 /nfs/dbraw/zinc/25/88/58/205258858.db2.gz NJCYHKQTSLQEQV-UHFFFAOYSA-N 0 3 386.471 2.379 50 0 GEAAHN COc1ccc([C@@H](N)CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cc1OC ZINC000067774906 205259998 /nfs/dbraw/zinc/25/99/98/205259998.db2.gz JKNIXLYLLUMTAW-KRWDZBQOSA-N 0 3 399.491 2.307 50 0 GEAAHN O=C1N(CCCc2ccccc2)CCC[C@]1(O)CNCc1cnc2ccccn12 ZINC000067975371 205270568 /nfs/dbraw/zinc/27/05/68/205270568.db2.gz KGISHVXDOOUQTJ-QHCPKHFHSA-N 0 3 392.503 2.410 50 0 GEAAHN CC[C@H](CNC(=O)COc1ccc(CC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000068521823 205271374 /nfs/dbraw/zinc/27/13/74/205271374.db2.gz NOFHGJLFWVNSAH-HXUWFJFHSA-N 0 3 395.503 2.046 50 0 GEAAHN CC(C)[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCN1Cc1ccc(F)cc1 ZINC000071746244 205289343 /nfs/dbraw/zinc/28/93/43/205289343.db2.gz WJCGZRSFQYLMOO-IBGZPJMESA-N 0 3 386.471 2.292 50 0 GEAAHN COc1cccc([C@@H]2CN(c3ncccc3C(N)=O)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072143002 205310561 /nfs/dbraw/zinc/31/05/61/205310561.db2.gz JBEHWBFFUJVRCI-XUVXKRRUSA-N 0 3 378.476 2.256 50 0 GEAAHN COc1cccc([C@@H]2CN(c3cc(C(N)=O)ccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072151461 205311002 /nfs/dbraw/zinc/31/10/02/205311002.db2.gz MQZWFSGDAYCBTI-CEWLAPEOSA-N 0 3 378.476 2.256 50 0 GEAAHN COc1cccc([C@@H]2CN(c3nc(C(N)=O)cs3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072154255 205312568 /nfs/dbraw/zinc/31/25/68/205312568.db2.gz CKZRRDGSLXKHAB-CGTJXYLNSA-N 0 3 384.505 2.317 50 0 GEAAHN COc1ccccc1[C@@H]1CN(C(=O)CCn2cccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072153628 205313254 /nfs/dbraw/zinc/31/32/54/205313254.db2.gz AYMGOTWDGYDADG-VLCRHTCISA-N 0 3 380.492 2.371 50 0 GEAAHN COc1ccccc1[C@H]1CN(C(=O)CCn2cccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072159135 205313492 /nfs/dbraw/zinc/31/34/92/205313492.db2.gz AYMGOTWDGYDADG-STZQEDGTSA-N 0 3 380.492 2.371 50 0 GEAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3ccc4c(c3)OCO4)CC2)[C@H]1O ZINC000072164039 205315848 /nfs/dbraw/zinc/31/58/48/205315848.db2.gz USLKMLJIOFWGNL-YADHBBJMSA-N 0 3 394.471 2.283 50 0 GEAAHN CN(CCc1ccccc1)C1(C(=O)NCCn2cnnc2)Cc2ccccc2C1 ZINC000072170172 205316041 /nfs/dbraw/zinc/31/60/41/205316041.db2.gz MPALSNRCHBAMGX-UHFFFAOYSA-N 0 3 389.503 2.106 50 0 GEAAHN CN(C)C1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295405 205320253 /nfs/dbraw/zinc/32/02/53/205320253.db2.gz QPOGCSUOZGXSMX-JOCHJYFZSA-N 0 3 393.531 2.103 50 0 GEAAHN CN1CCC(Oc2ccc(NC(=O)CCc3cc4n(n3)CCNC4)cc2)CC1 ZINC000072426443 205348265 /nfs/dbraw/zinc/34/82/65/205348265.db2.gz ZZHKYFPKZBCUEY-UHFFFAOYSA-N 0 3 383.496 2.031 50 0 GEAAHN COc1cccc(CN2CC[C@@]3(CC(=O)NC3=O)C2)c1OCCn1ccnc1 ZINC000082125796 205388104 /nfs/dbraw/zinc/38/81/04/205388104.db2.gz JAKFIPOVTJKILK-HXUWFJFHSA-N 0 3 384.436 2.050 50 0 GEAAHN COC[C@@H]1CCCN(CCNC(=O)CCc2ccc(OC)c(OC)c2OC)C1 ZINC000239367333 206125412 /nfs/dbraw/zinc/12/54/12/206125412.db2.gz AIIFCUSPUBHWMO-MRXNPFEDSA-N 0 3 394.512 2.120 50 0 GEAAHN COc1cccc(CN2CCC[C@@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)c1 ZINC000426619990 533480046 /nfs/dbraw/zinc/48/00/46/533480046.db2.gz GZVDTRSZAJSUAO-OAQYLSRUSA-N 0 3 381.480 2.077 50 0 GEAAHN CC(=O)NCCN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072166822 136167233 /nfs/dbraw/zinc/16/72/33/136167233.db2.gz IBCCDMKQNAKNMP-LJQANCHMSA-N 0 3 398.473 2.428 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NCCc3nc(C)cc(C)n3)CC2)c1 ZINC000095391225 136178876 /nfs/dbraw/zinc/17/88/76/136178876.db2.gz SOOYCVVJUNVHMJ-UHFFFAOYSA-N 0 3 381.524 2.273 50 0 GEAAHN CC(C)CN1CCN(c2ncnc3c2Cc2ccccc2OC3)C[C@@H]1CCO ZINC000097551289 535107788 /nfs/dbraw/zinc/10/77/88/535107788.db2.gz QTCBXNCNXVNHEE-SFHVURJKSA-N 0 3 382.508 2.489 50 0 GEAAHN CCCCN(C)C(=O)c1cc(NC(=O)C(C)(C)C)cnc1N1CCNCC1 ZINC000065025404 535210990 /nfs/dbraw/zinc/21/09/90/535210990.db2.gz CJWUMNSZEOFKJG-UHFFFAOYSA-N 0 3 375.517 2.348 50 0 GEAAHN CCNc1ccnc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095352209 535527551 /nfs/dbraw/zinc/52/75/51/535527551.db2.gz VTTMUQQACWBWSS-OPYAIIAOSA-N 0 3 389.544 2.252 50 0 GEAAHN CC(C)N1C[C@H](O)[C@@H](NC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)C1 ZINC000096141222 570213144 /nfs/dbraw/zinc/21/31/44/570213144.db2.gz DEQJNWMBTRARBN-HOTGVXAUSA-N 0 3 381.436 2.465 50 0 GEAAHN Cc1nn(C)cc1CN1CCC(c2nnc(Cn3ccnc3)n2C2CC2)CC1 ZINC000096162436 570217010 /nfs/dbraw/zinc/21/70/10/570217010.db2.gz XUPPZUKNNVNMBL-UHFFFAOYSA-N 0 3 380.500 2.279 50 0 GEAAHN CCn1c(Cn2ccnc2)nnc1C1CCN(Cc2cccc3nonc32)CC1 ZINC000096165310 570217682 /nfs/dbraw/zinc/21/76/82/570217682.db2.gz KYPVWMJGEMWUAX-UHFFFAOYSA-N 0 3 392.467 2.459 50 0 GEAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OCC(N)=O)c(OC)c1 ZINC000019874223 570227141 /nfs/dbraw/zinc/22/71/41/570227141.db2.gz LCVUXQCPBUPIAE-HXUWFJFHSA-N 0 3 381.432 2.284 50 0 GEAAHN CNC(=O)c1ccc(C)c(NC(=O)N2CCCO[C@@H](CN3CCCCC3)C2)c1 ZINC000097463657 570244288 /nfs/dbraw/zinc/24/42/88/570244288.db2.gz YKJCIYZQKUZJSD-SFHVURJKSA-N 0 3 388.512 2.463 50 0 GEAAHN Cn1c(=O)c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)cc2c1CCCC2 ZINC000097698738 570249781 /nfs/dbraw/zinc/24/97/81/570249781.db2.gz FIZKLZNBAJKLSV-IBGZPJMESA-N 0 3 379.504 2.483 50 0 GEAAHN CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC000097759199 570252863 /nfs/dbraw/zinc/25/28/63/570252863.db2.gz AUQWABVKXSYIFA-MRXNPFEDSA-N 0 3 375.517 2.130 50 0 GEAAHN Cc1cc(-n2cccn2)ccc1CN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000107415896 570261139 /nfs/dbraw/zinc/26/11/39/570261139.db2.gz WUFCPZABFBAGHO-JOCHJYFZSA-N 0 3 381.524 2.309 50 0 GEAAHN CCN1CCN(C(=O)c2c(C)n(C3CCN(C)CC3)nc2C(F)(F)F)CC1 ZINC000049362586 570262918 /nfs/dbraw/zinc/26/29/18/570262918.db2.gz KSMIIMCERIRPRQ-UHFFFAOYSA-N 0 3 387.450 2.255 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000001837495 570269344 /nfs/dbraw/zinc/26/93/44/570269344.db2.gz RWHYNOLKKVMKMB-IBGZPJMESA-N 0 3 396.443 2.336 50 0 GEAAHN C[C@H](NCc1ccccc1Cn1cccn1)C(=O)NC(=O)NCc1ccccc1 ZINC000012865986 570269496 /nfs/dbraw/zinc/26/94/96/570269496.db2.gz WVIOFYRIGHEOSB-KRWDZBQOSA-N 0 3 391.475 2.436 50 0 GEAAHN Cc1ccc2[nH]c(C3CCN(C(=O)NC4CCN(CCO)CC4)CC3)nc2c1 ZINC000584901365 570270704 /nfs/dbraw/zinc/27/07/04/570270704.db2.gz XZUMVLQBVVWLJS-UHFFFAOYSA-N 0 3 385.512 2.217 50 0 GEAAHN Cc1ccc2nc(C3CCN(C(=O)NC4CCN(CCO)CC4)CC3)[nH]c2c1 ZINC000584901365 570270709 /nfs/dbraw/zinc/27/07/09/570270709.db2.gz XZUMVLQBVVWLJS-UHFFFAOYSA-N 0 3 385.512 2.217 50 0 GEAAHN Cc1cccn2c(CNC3Cc4ccccc4C3)c(C(=O)N3CCOCC3)nc12 ZINC000020781650 570280513 /nfs/dbraw/zinc/28/05/13/570280513.db2.gz ASHWQDLMOXUDBW-UHFFFAOYSA-N 0 3 390.487 2.372 50 0 GEAAHN Cc1c2cccc(C)c2n(C)c1C(=O)NCC[C@@H]1CCC(=O)N1CCN(C)C ZINC000214962768 570282929 /nfs/dbraw/zinc/28/29/29/570282929.db2.gz AZPLBGBJOZXQQV-KRWDZBQOSA-N 0 3 384.524 2.468 50 0 GEAAHN Cc1cnc(CNC(=O)[C@H]2[C@@H]3CN(Cc4ccc5c(c4)C[C@@H](C)O5)C[C@@H]32)cn1 ZINC000102720076 570291507 /nfs/dbraw/zinc/29/15/07/570291507.db2.gz FUXSIRHOKLLXCM-FWQLUELVSA-N 0 3 378.476 2.103 50 0 GEAAHN Cc1ccc(NC(=O)C(=O)NCC2CCN([C@H]3CCOC3)CC2)cc1Cl ZINC000575415613 570306177 /nfs/dbraw/zinc/30/61/77/570306177.db2.gz GRBPEAALWIBRFF-INIZCTEOSA-N 0 3 379.888 2.204 50 0 GEAAHN CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1cccc(-n3cccn3)c1)C2 ZINC000218882803 570342779 /nfs/dbraw/zinc/34/27/79/570342779.db2.gz HOFPLEVGHQMWQQ-OAQYLSRUSA-N 0 3 380.496 2.070 50 0 GEAAHN CN(C)C[C@@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974023 570344529 /nfs/dbraw/zinc/34/45/29/570344529.db2.gz JCGAFRLQTXGZBI-HXUWFJFHSA-N 0 3 380.496 2.274 50 0 GEAAHN Cc1oc2ncn(CCC(=O)N3CCN(C4CCCCC4)CC3)c(=O)c2c1C ZINC000035378455 570346777 /nfs/dbraw/zinc/34/67/77/570346777.db2.gz WYCKCKFJUQFULH-UHFFFAOYSA-N 0 3 386.496 2.473 50 0 GEAAHN Cc1cccc(CN2CCC[C@@](O)(CN3CCN(C4CCCC4)CC3)C2=O)c1 ZINC000023374611 570358575 /nfs/dbraw/zinc/35/85/75/570358575.db2.gz VKANTPDVYQQCTD-HSZRJFAPSA-N 0 3 385.552 2.409 50 0 GEAAHN O=C(CC1CCN(S(=O)(=O)c2cccs2)CC1)NCCN1CCCCC1 ZINC000035459712 570364486 /nfs/dbraw/zinc/36/44/86/570364486.db2.gz QVUWMKMEBPIJQV-UHFFFAOYSA-N 0 3 399.582 2.141 50 0 GEAAHN CCc1ccc([C@@H](Cn2c(=O)[nH]c3cc(C(=O)OC)ccc3c2=O)N(C)C)cc1 ZINC000024940115 570399054 /nfs/dbraw/zinc/39/90/54/570399054.db2.gz RJLLHHNNOIXDPC-LJQANCHMSA-N 0 3 395.459 2.342 50 0 GEAAHN C[C@@H](N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C ZINC000027132067 570431820 /nfs/dbraw/zinc/43/18/20/570431820.db2.gz BHPIWKRYMMQGGS-OAHLLOKOSA-N 0 3 397.541 2.012 50 0 GEAAHN Cc1noc(C)c1CCCNC(=O)c1ccc(N2CCN3CCC[C@H]3C2)nc1 ZINC000244574802 570435608 /nfs/dbraw/zinc/43/56/08/570435608.db2.gz CRSSBBMYYQBZLV-SFHVURJKSA-N 0 3 383.496 2.333 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)c(C)c2)CC1 ZINC000029375303 570472831 /nfs/dbraw/zinc/47/28/31/570472831.db2.gz CLEOFFHBAHKDEO-UHFFFAOYSA-N 0 3 393.495 2.444 50 0 GEAAHN CN(C(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)cc1)[C@@H]1CCCN(C)C1 ZINC000188073740 570535293 /nfs/dbraw/zinc/53/52/93/570535293.db2.gz SUZZLUAGZBEAKT-QGZVFWFLSA-N 0 3 398.511 2.452 50 0 GEAAHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 ZINC000192893111 570542869 /nfs/dbraw/zinc/54/28/69/570542869.db2.gz AQGNBMQFWKUCMK-HNNXBMFYSA-N 0 3 380.514 2.222 50 0 GEAAHN CN(C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)Cc1ccccc1 ZINC000032983492 570572058 /nfs/dbraw/zinc/57/20/58/570572058.db2.gz WMMBOCBBXDUEOK-IBGZPJMESA-N 0 3 378.476 2.459 50 0 GEAAHN CN(C)C(=O)CCC(=O)N(C)CC1CCN(CCc2ccccc2F)CC1 ZINC000012430606 570659099 /nfs/dbraw/zinc/65/90/99/570659099.db2.gz HBCBJTAMSKSFLD-UHFFFAOYSA-N 0 3 377.504 2.407 50 0 GEAAHN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000012805018 570718426 /nfs/dbraw/zinc/71/84/26/570718426.db2.gz PCALOISXSZAULS-INIZCTEOSA-N 0 3 398.488 2.117 50 0 GEAAHN CN(CCNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000004374249 570720349 /nfs/dbraw/zinc/72/03/49/570720349.db2.gz HWQITQOVHXOHNA-SFHVURJKSA-N 0 3 384.455 2.362 50 0 GEAAHN COC(=O)C1=C(CN2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566229 570758593 /nfs/dbraw/zinc/75/85/93/570758593.db2.gz QMWZRJLRSYZWDN-PJIJBLCYSA-N 0 3 387.480 2.454 50 0 GEAAHN O[C@@H](COc1ccccc1CNCC1(O)CCCCC1)CN1CCSCC1 ZINC000014979788 570869241 /nfs/dbraw/zinc/86/92/41/570869241.db2.gz QYMFVZFXNJBRCT-LJQANCHMSA-N 0 3 394.581 2.260 50 0 GEAAHN C[C@H]1CCCCN1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000014983948 570869764 /nfs/dbraw/zinc/86/97/64/570869764.db2.gz BRROOSYSCAONBV-AWEZNQCLSA-N 0 3 383.448 2.408 50 0 GEAAHN O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613549 570871679 /nfs/dbraw/zinc/87/16/79/570871679.db2.gz SIEBWOKNGWRPHJ-HXUWFJFHSA-N 0 3 396.487 2.408 50 0 GEAAHN O=C(N[C@@H](Cn1ccnc1)c1ccccc1)c1cn(CCN2CCCCC2)nn1 ZINC000015068344 570876152 /nfs/dbraw/zinc/87/61/52/570876152.db2.gz FMUDIQMVIYLGPH-IBGZPJMESA-N 0 3 393.495 2.132 50 0 GEAAHN CCC(=O)Nc1cc(C(=O)NC[C@@H]2CCCN2CC)c(OC)cc1N(C)C ZINC000001230735 570900181 /nfs/dbraw/zinc/90/01/81/570900181.db2.gz HFISOMDMTMMHBS-AWEZNQCLSA-N 0 3 376.501 2.324 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)n1 ZINC000015671240 570901607 /nfs/dbraw/zinc/90/16/07/570901607.db2.gz WACFEDFFJPYPND-UHFFFAOYSA-N 0 3 395.916 2.015 50 0 GEAAHN COc1ccccc1N(C[C@@H](O)CN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002205512 571003229 /nfs/dbraw/zinc/00/32/29/571003229.db2.gz FHGQAVHSGLTWNU-INIZCTEOSA-N 0 3 378.494 2.121 50 0 GEAAHN C[C@@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091425668 571007045 /nfs/dbraw/zinc/00/70/45/571007045.db2.gz KDIBFKRKMOVKLT-IBGZPJMESA-N 0 3 398.551 2.340 50 0 GEAAHN CN1CCCCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000091474067 571009905 /nfs/dbraw/zinc/00/99/05/571009905.db2.gz XQUZNKFMAQWJJL-LLVKDONJSA-N 0 3 377.436 2.080 50 0 GEAAHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@H](c1ccccc1)N1CCSCC1 ZINC000084519384 571020548 /nfs/dbraw/zinc/02/05/48/571020548.db2.gz JYNHXNAJQVOZLA-PMACEKPBSA-N 0 3 389.565 2.146 50 0 GEAAHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(C)n1 ZINC000091644989 571021859 /nfs/dbraw/zinc/02/18/59/571021859.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 0 3 384.528 2.382 50 0 GEAAHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(C)n1 ZINC000091644989 571021860 /nfs/dbraw/zinc/02/18/60/571021860.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 0 3 384.528 2.382 50 0 GEAAHN CCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc(OC)c(O)c1)CC2 ZINC000091746105 571028946 /nfs/dbraw/zinc/02/89/46/571028946.db2.gz OTOSRUTUXVCNSQ-UHFFFAOYSA-N 0 3 384.480 2.410 50 0 GEAAHN Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@@H+](C)C3)c(=O)[n-]1 ZINC000091745663 571028955 /nfs/dbraw/zinc/02/89/55/571028955.db2.gz FKGLUPVSSWYHCT-GOSISDBHSA-N 0 3 380.492 2.420 50 0 GEAAHN Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)c(=O)[n-]1 ZINC000091745663 571028959 /nfs/dbraw/zinc/02/89/59/571028959.db2.gz FKGLUPVSSWYHCT-GOSISDBHSA-N 0 3 380.492 2.420 50 0 GEAAHN Cc1ccc(-c2ccc(C(=O)N3C[C@H](CO)[C@H](CN(C)CCO)C3)cc2)cc1 ZINC000091793290 571031340 /nfs/dbraw/zinc/03/13/40/571031340.db2.gz KGMGHNHQWOXPGA-FGZHOGPDSA-N 0 3 382.504 2.267 50 0 GEAAHN COc1cccc(OCc2nnc(SCCN3CCC(C)CC3)n2N)c1 ZINC000084699945 571031505 /nfs/dbraw/zinc/03/15/05/571031505.db2.gz WTHWYAAWCKBNKI-UHFFFAOYSA-N 0 3 377.514 2.404 50 0 GEAAHN Cc1c(CN2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cnn1C ZINC000091907435 571035506 /nfs/dbraw/zinc/03/55/06/571035506.db2.gz XFQOOJDMENRGEY-NRFANRHFSA-N 0 3 382.512 2.232 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cccc(Cl)c3)C[C@H]2CCCO)CC1 ZINC000095371435 571061386 /nfs/dbraw/zinc/06/13/86/571061386.db2.gz GVPQLSCXZPMMDZ-MJGOQNOKSA-N 0 3 379.932 2.191 50 0 GEAAHN CN1CCN(Cc2ccc(OCc3ccccn3)cc2)C[C@]12CCNC(=O)CC2 ZINC000095378338 571065725 /nfs/dbraw/zinc/06/57/25/571065725.db2.gz NPYHHBNAPSWOPQ-QHCPKHFHSA-N 0 3 394.519 2.447 50 0 GEAAHN CCn1nc(C)c(CN2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1C ZINC000095379584 571066786 /nfs/dbraw/zinc/06/67/86/571066786.db2.gz BJDBYANUCIIGAG-KRWDZBQOSA-N 0 3 382.516 2.273 50 0 GEAAHN COc1cccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095390329 571072286 /nfs/dbraw/zinc/07/22/86/571072286.db2.gz KGTSXJIJNQWROK-CEWLAPEOSA-N 0 3 379.460 2.086 50 0 GEAAHN C[C@@H](N)C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095498690 571075387 /nfs/dbraw/zinc/07/53/87/571075387.db2.gz YYEMAKGZSUNUMF-QGZVFWFLSA-N 0 3 395.503 2.376 50 0 GEAAHN CCN(Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1)C1CC1 ZINC000095503898 571077614 /nfs/dbraw/zinc/07/76/14/571077614.db2.gz ZXNXELXLQDWYMF-SFHVURJKSA-N 0 3 380.554 2.468 50 0 GEAAHN Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@H+](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511967 571082560 /nfs/dbraw/zinc/08/25/60/571082560.db2.gz SSQZSQGYIRAFLO-INIZCTEOSA-N 0 3 386.471 2.244 50 0 GEAAHN Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511967 571082563 /nfs/dbraw/zinc/08/25/63/571082563.db2.gz SSQZSQGYIRAFLO-INIZCTEOSA-N 0 3 386.471 2.244 50 0 GEAAHN COc1cc(CN2CCC(C)(C)CC2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095525987 571090703 /nfs/dbraw/zinc/09/07/03/571090703.db2.gz MEIXDVXUJLUUMM-IBGZPJMESA-N 0 3 392.540 2.389 50 0 GEAAHN CCN(CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095528688 571091991 /nfs/dbraw/zinc/09/19/91/571091991.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 0 3 384.520 2.299 50 0 GEAAHN CCn1nc(CO)c2c1CCN(C(=O)c1cccc(-c3cnccc3N)c1)C2 ZINC000426368239 231208430 /nfs/dbraw/zinc/20/84/30/231208430.db2.gz ITEAULFZKVDUSU-UHFFFAOYSA-N 0 3 377.448 2.068 50 0 GEAAHN Cc1cc(C(F)(F)F)nc(CNC(=O)N2CCN(c3ccncc3)CC2)n1 ZINC000426733961 231256790 /nfs/dbraw/zinc/25/67/90/231256790.db2.gz GAUKZEKDEJNURC-UHFFFAOYSA-N 0 3 380.374 2.231 50 0 GEAAHN CN(C)CCNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000025285328 531613217 /nfs/dbraw/zinc/61/32/17/531613217.db2.gz WGYCKELTZFGHMD-UHFFFAOYSA-N 0 3 381.885 2.432 50 0 GEAAHN CN(C)C(=O)C1c2ccccc2-c2ccccc2[C@@H](C(=O)N(C)C)S1(=O)=O ZINC000000702144 203848897 /nfs/dbraw/zinc/84/88/97/203848897.db2.gz OPGHXVLDKOMVRM-ROUUACIJSA-N 0 3 386.473 2.041 50 0 GEAAHN O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2csnn2)cc1 ZINC000004324899 204037985 /nfs/dbraw/zinc/03/79/85/204037985.db2.gz STZYFNOVOGEQFS-OAHLLOKOSA-N 0 3 385.445 2.463 50 0 GEAAHN CN(C)CCNC(=O)CN1C(=O)c2ccccc2[C@H]1c1cn(C)c2ccccc12 ZINC000004734640 204070871 /nfs/dbraw/zinc/07/08/71/204070871.db2.gz RMDRIWNWNISFAX-QFIPXVFZSA-N 0 3 390.487 2.401 50 0 GEAAHN COc1ccc(CCN2C(=O)C3=NNN(c4ccccc4)C3C2=O)cc1OC ZINC000004855799 204083360 /nfs/dbraw/zinc/08/33/60/204083360.db2.gz MLRXLAJQHPMYEI-QZTJIDSGSA-N 0 3 380.404 2.240 50 0 GEAAHN COc1cc(CNCc2cccs2)ccc1OCC(=O)N1CCOCC1 ZINC000004670886 204062454 /nfs/dbraw/zinc/06/24/54/204062454.db2.gz YALLMLMFEGZVMK-UHFFFAOYSA-N 0 3 376.478 2.284 50 0 GEAAHN CCOc1ccc(Br)cc1S(=O)(=O)NCCN(CC)CC ZINC000006435770 204179099 /nfs/dbraw/zinc/17/90/99/204179099.db2.gz MGEHEDPDHUDCNV-UHFFFAOYSA-N 0 3 379.320 2.468 50 0 GEAAHN CN(CCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)Cc1ccccc1 ZINC000006748932 204199153 /nfs/dbraw/zinc/19/91/53/204199153.db2.gz MSLXVMVPCPMJDE-UHFFFAOYSA-N 0 3 385.489 2.329 50 0 GEAAHN O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCCN1CCCC1 ZINC000008750443 204288249 /nfs/dbraw/zinc/28/82/49/204288249.db2.gz UBUHUMMIIQRGQP-UHFFFAOYSA-N 0 3 382.489 2.337 50 0 GEAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000010030760 204329268 /nfs/dbraw/zinc/32/92/68/204329268.db2.gz HMNWLSTXGBMNIB-UHFFFAOYSA-N 0 3 389.521 2.141 50 0 GEAAHN CCOc1ccc(C(=O)N[C@H](C(=O)NC2CCN(CC)CC2)C(C)C)cc1 ZINC000011527084 204346415 /nfs/dbraw/zinc/34/64/15/204346415.db2.gz IGRIXAAAXUNHPN-IBGZPJMESA-N 0 3 375.513 2.440 50 0 GEAAHN CCN(Cc1ccncc1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000011666057 204349060 /nfs/dbraw/zinc/34/90/60/204349060.db2.gz WOTUONDGMZBBAZ-OAQYLSRUSA-N 0 3 385.508 2.176 50 0 GEAAHN COCC(=O)N[C@@H](c1nnc2n1CCN(CC1CCCCC1)CC2)C(C)C ZINC000012218402 204383592 /nfs/dbraw/zinc/38/35/92/204383592.db2.gz MROANSPKORGZFJ-LJQANCHMSA-N 0 3 377.533 2.176 50 0 GEAAHN 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O=C(c1ccccc1[O-])N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071314969 222181017 /nfs/dbraw/zinc/18/10/17/222181017.db2.gz CXKLZAJTVOBYQS-KRWDZBQOSA-N 0 3 385.508 2.331 50 0 GEAAHN O=C(c1ccccc1[O-])N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071314969 222181021 /nfs/dbraw/zinc/18/10/21/222181021.db2.gz CXKLZAJTVOBYQS-KRWDZBQOSA-N 0 3 385.508 2.331 50 0 GEAAHN Cc1c2ccc(C)cc2oc1C(=O)N1C[C@H](CO)[C@H](CN2CCC(O)CC2)C1 ZINC000091621255 518186221 /nfs/dbraw/zinc/18/62/21/518186221.db2.gz KFTSPKNESLRQHC-IAGOWNOFSA-N 0 3 386.492 2.187 50 0 GEAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cn(C)nc2C)CC1 ZINC000096137790 570212295 /nfs/dbraw/zinc/21/22/95/570212295.db2.gz HHIFAUDBWBTZDS-UHFFFAOYSA-N 0 3 382.516 2.273 50 0 GEAAHN COc1cccc([C@@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)c1 ZINC000111393936 570215707 /nfs/dbraw/zinc/21/57/07/570215707.db2.gz XRQRCPMUGJAZSW-IBGZPJMESA-N 0 3 388.512 2.212 50 0 GEAAHN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@@H](N1CCC(CO)CC1)CC2 ZINC000019939013 570232311 /nfs/dbraw/zinc/23/23/11/570232311.db2.gz MAYMNEXQVLIFSV-IBGZPJMESA-N 0 3 396.535 2.254 50 0 GEAAHN OCCN1CCN(C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000096836807 570232874 /nfs/dbraw/zinc/23/28/74/570232874.db2.gz RKJIOGYLSHZNBW-UHFFFAOYSA-N 0 3 382.346 2.023 50 0 GEAAHN CCn1ccnc1CN1CCC2(CC1)CCN(Cc1ccccn1)C[C@H]2CO ZINC000097402329 570243493 /nfs/dbraw/zinc/24/34/93/570243493.db2.gz FVXSFJAXIGUPKC-IBGZPJMESA-N 0 3 383.540 2.395 50 0 GEAAHN CNC(=O)c1ccc(C)c(NC(=O)N2CCCO[C@H](CN3CCCCC3)C2)c1 ZINC000097463656 570244337 /nfs/dbraw/zinc/24/43/37/570244337.db2.gz YKJCIYZQKUZJSD-GOSISDBHSA-N 0 3 388.512 2.463 50 0 GEAAHN Cc1ccccc1C(=O)N1CCC2(CCN(Cc3c[nH]cn3)CC2)[C@@H](CO)C1 ZINC000097657304 570248952 /nfs/dbraw/zinc/24/89/52/570248952.db2.gz NCWRAMSTSMIBPZ-GOSISDBHSA-N 0 3 382.508 2.455 50 0 GEAAHN Cc1ccccc1C(=O)N1CCC2(CCN(Cc3cnc[nH]3)CC2)[C@@H](CO)C1 ZINC000097657304 570248956 /nfs/dbraw/zinc/24/89/56/570248956.db2.gz NCWRAMSTSMIBPZ-GOSISDBHSA-N 0 3 382.508 2.455 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccnc(-n3cnnc3)c2)C1 ZINC000097657210 570249054 /nfs/dbraw/zinc/24/90/54/570249054.db2.gz FGHLYNBHZRRKGO-SFHVURJKSA-N 0 3 376.464 2.190 50 0 GEAAHN Cc1ccccc1-c1noc(CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000108032740 570261771 /nfs/dbraw/zinc/26/17/71/570261771.db2.gz MDAIKYSNAUUYKR-OAQYLSRUSA-N 0 3 383.496 2.174 50 0 GEAAHN CCc1ncc(C(=O)N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)cn1 ZINC000020535677 570266344 /nfs/dbraw/zinc/26/63/44/570266344.db2.gz CBHQFRGSJYRTJK-UXHICEINSA-N 0 3 380.492 2.190 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000015831044 570269888 /nfs/dbraw/zinc/26/98/88/570269888.db2.gz MFUIITYYMMWGRA-INIZCTEOSA-N 0 3 395.507 2.269 50 0 GEAAHN O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2ccncc2)CC1 ZINC000584903077 570270425 /nfs/dbraw/zinc/27/04/25/570270425.db2.gz JFMUITBWDQSMCP-SFHVURJKSA-N 0 3 383.496 2.418 50 0 GEAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CC[C@H](O)C1 ZINC000020865488 570282679 /nfs/dbraw/zinc/28/26/79/570282679.db2.gz OEUZJKREFAWWCI-SFHVURJKSA-N 0 3 398.507 2.102 50 0 GEAAHN Cc1cc(C)cc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1 ZINC000020920319 570285102 /nfs/dbraw/zinc/28/51/02/570285102.db2.gz CWAXLLQLFWTVSM-UHFFFAOYSA-N 0 3 390.491 2.278 50 0 GEAAHN CN(C)CCN1C(=O)CC[C@@H]1CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000215217232 570286404 /nfs/dbraw/zinc/28/64/04/570286404.db2.gz ZPUYXUASGIJOOU-CYBMUJFWSA-N 0 3 376.888 2.494 50 0 GEAAHN Cc1cc2nc(C(F)(F)F)c(=O)n([C@H](C)C(=O)NCCN(C)C)c2cc1C ZINC000032944955 570299993 /nfs/dbraw/zinc/29/99/93/570299993.db2.gz QHNWGDXYAXIEMG-GFCCVEGCSA-N 0 3 384.402 2.271 50 0 GEAAHN CN(C)CCNC(=O)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000034684101 570301496 /nfs/dbraw/zinc/30/14/96/570301496.db2.gz FUHFTJHAYRLDRU-UHFFFAOYSA-N 0 3 380.536 2.296 50 0 GEAAHN O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000022239419 570309869 /nfs/dbraw/zinc/30/98/69/570309869.db2.gz BMFXGDYMDVNSKK-UHFFFAOYSA-N 0 3 398.507 2.407 50 0 GEAAHN CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000012441109 570664596 /nfs/dbraw/zinc/66/45/96/570664596.db2.gz DNOOLZPQCOBBSI-GOSISDBHSA-N 0 3 391.471 2.406 50 0 GEAAHN O=C(CCCn1c(=O)c2cccn2c2ccc(F)cc21)NCCN1CCCC1 ZINC000033031763 570669078 /nfs/dbraw/zinc/66/90/78/570669078.db2.gz UOWVMISXEKHNAO-UHFFFAOYSA-N 0 3 384.455 2.386 50 0 GEAAHN Cc1ccc(CNCc2cccc(OC[C@@H](O)CN3CCOCC3)c2)s1 ZINC000012704469 570700142 /nfs/dbraw/zinc/70/01/42/570700142.db2.gz KRNITARJGLPHBW-SFHVURJKSA-N 0 3 376.522 2.418 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)on2)CC1 ZINC000012708497 570701520 /nfs/dbraw/zinc/70/15/20/570701520.db2.gz MEZGIEALJLYXKD-KRWDZBQOSA-N 0 3 376.501 2.216 50 0 GEAAHN O=C(NCCN1CCCC1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255801 570754090 /nfs/dbraw/zinc/75/40/90/570754090.db2.gz BZNNFAMVRDQXNB-HXUWFJFHSA-N 0 3 379.508 2.058 50 0 GEAAHN CCCN1CCN(C(=O)c2ccnc(N3CCN[C@H](c4ccccc4)C3)c2)CC1 ZINC000065255909 570754405 /nfs/dbraw/zinc/75/44/05/570754405.db2.gz AALWSINTCDPQEP-NRFANRHFSA-N 0 3 393.535 2.400 50 0 GEAAHN O=C(NCCN1CCCCC1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256358 570754950 /nfs/dbraw/zinc/75/49/50/570754950.db2.gz UWXBNVCZISXNAS-OAQYLSRUSA-N 0 3 393.535 2.448 50 0 GEAAHN O=C(NCCN1CCCC1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256298 570755091 /nfs/dbraw/zinc/75/50/91/570755091.db2.gz MRDVJXGRXSPQPV-HXUWFJFHSA-N 0 3 379.508 2.058 50 0 GEAAHN NC(=O)COc1ccc(Br)cc1CNC[C@H](O)c1ccccc1 ZINC000013945161 570807346 /nfs/dbraw/zinc/80/73/46/570807346.db2.gz HTERKPUVYVHWLL-HNNXBMFYSA-N 0 3 379.254 2.136 50 0 GEAAHN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1 ZINC000032781262 570808658 /nfs/dbraw/zinc/80/86/58/570808658.db2.gz DJUVGLRLFIWBQY-LJQANCHMSA-N 0 3 389.521 2.406 50 0 GEAAHN CCOc1ccc([C@H]2NC(=O)N(C)C3=C2C(=O)N(CCN2CCCCC2)C3)cc1 ZINC000004346627 570829024 /nfs/dbraw/zinc/82/90/24/570829024.db2.gz ZDVCEHSTKCMPDH-HXUWFJFHSA-N 0 3 398.507 2.364 50 0 GEAAHN CCn1c(CNC(C)(C)CC)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000012525538 570830650 /nfs/dbraw/zinc/83/06/50/570830650.db2.gz MYPGSAVPRIZCHL-UHFFFAOYSA-N 0 3 394.541 2.355 50 0 GEAAHN CS(=O)(=O)NC1CCN(CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000032870942 570869706 /nfs/dbraw/zinc/86/97/06/570869706.db2.gz OEFRKAADKNYMRT-UHFFFAOYSA-N 0 3 375.494 2.182 50 0 GEAAHN CCN(CC)S(=O)(=O)c1cc(C(=O)NC2CCN(CC)CC2)ccc1C ZINC000014523560 570905870 /nfs/dbraw/zinc/90/58/70/570905870.db2.gz CCUHPBGQRLQEBQ-UHFFFAOYSA-N 0 3 381.542 2.240 50 0 GEAAHN CN(CCNC(=O)N[C@H]1CC(=O)N(c2cccc(F)c2)C1)Cc1ccccc1 ZINC000004374005 570909800 /nfs/dbraw/zinc/90/98/00/570909800.db2.gz JMGILLYQNSQBTI-SFHVURJKSA-N 0 3 384.455 2.362 50 0 GEAAHN CN1C(=O)COc2cc(NC(=O)N[C@H]3CCN(Cc4ccccc4)C3)ccc21 ZINC000534631766 570910438 /nfs/dbraw/zinc/91/04/38/570910438.db2.gz KZNCNJHEKCUVQC-KRWDZBQOSA-N 0 3 380.448 2.438 50 0 GEAAHN CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)c1 ZINC000023127506 570912488 /nfs/dbraw/zinc/91/24/88/570912488.db2.gz FWLUDGNCJJPTJW-UHFFFAOYSA-N 0 3 398.463 2.205 50 0 GEAAHN COc1cccc(-n2c(CNC(=O)C(C)C)nnc2SCCN(C)C)c1 ZINC000019227470 570964577 /nfs/dbraw/zinc/96/45/77/570964577.db2.gz ZDPZWVZEKWLQFY-UHFFFAOYSA-N 0 3 377.514 2.202 50 0 GEAAHN O=C(c1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1)N1CCCC1 ZINC000195508235 570965381 /nfs/dbraw/zinc/96/53/81/570965381.db2.gz XRGIMAYJBJGNTJ-UHFFFAOYSA-N 0 3 382.508 2.491 50 0 GEAAHN CCN1CCN(CC2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 ZINC000033312384 570971920 /nfs/dbraw/zinc/97/19/20/570971920.db2.gz SSOVAUJPNDVTDY-UHFFFAOYSA-N 0 3 391.581 2.214 50 0 GEAAHN COc1ccc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)c(F)c1 ZINC000252507480 570978396 /nfs/dbraw/zinc/97/83/96/570978396.db2.gz WMSOSHBWYFYRFR-UHFFFAOYSA-N 0 3 379.457 2.424 50 0 GEAAHN O=C(NCCN1CCCC1)c1csc(CN2CCN(c3ccccc3)CC2)n1 ZINC000034685375 570986762 /nfs/dbraw/zinc/98/67/62/570986762.db2.gz WLYXGSJOLUCYPH-UHFFFAOYSA-N 0 3 399.564 2.291 50 0 GEAAHN CCCc1nnc(N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)s1 ZINC000091320351 571002866 /nfs/dbraw/zinc/00/28/66/571002866.db2.gz RAFHGTXEBJSWKJ-OAHLLOKOSA-N 0 3 377.558 2.404 50 0 GEAAHN Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)c1 ZINC000091305913 571003050 /nfs/dbraw/zinc/00/30/50/571003050.db2.gz YPDYQSGHWUNZDF-RBUKOAKNSA-N 0 3 388.537 2.138 50 0 GEAAHN COCCN1C(=O)[C@H]2CC[C@@H]1CN(Cc1cc(CN3CCCC3)cs1)C2 ZINC000091435177 571007429 /nfs/dbraw/zinc/00/74/29/571007429.db2.gz LFBLAARSBCOLML-ZWKOTPCHSA-N 0 3 377.554 2.413 50 0 GEAAHN CNc1nc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)cs1 ZINC000091550358 571013824 /nfs/dbraw/zinc/01/38/24/571013824.db2.gz LFIYCDFBNCYXPI-IBGZPJMESA-N 0 3 377.558 2.094 50 0 GEAAHN C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCN2CCC(CO)CC2)C1 ZINC000091616524 571018029 /nfs/dbraw/zinc/01/80/29/571018029.db2.gz LAGLPSQMCKOTGE-JOCHJYFZSA-N 0 3 388.508 2.291 50 0 GEAAHN COc1cccc(NC(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCN(C)C)c1 ZINC000091624856 571019033 /nfs/dbraw/zinc/01/90/33/571019033.db2.gz ZGIWECIYRZWVGA-MSOLQXFVSA-N 0 3 377.485 2.021 50 0 GEAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@]2(CCC(=O)N(CCO)C2)C1 ZINC000091664406 571024736 /nfs/dbraw/zinc/02/47/36/571024736.db2.gz MURNRHPBQMSPFZ-QFIPXVFZSA-N 0 3 382.508 2.378 50 0 GEAAHN CC[C@H](C)[C@H](C(=O)NCCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000084721608 571033452 /nfs/dbraw/zinc/03/34/52/571033452.db2.gz VKCQPJVBMYPIDZ-FPOVZHCZSA-N 0 3 375.557 2.323 50 0 GEAAHN COc1cc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)cc(Cl)c1OC ZINC000091906966 571035665 /nfs/dbraw/zinc/03/56/65/571035665.db2.gz JJNHVEGGOXPAQD-IBGZPJMESA-N 0 3 381.904 2.144 50 0 GEAAHN CC1(C)CN(Cc2cnn(-c3ccccc3)c2)CC[C@]1(O)CN1CCOCC1 ZINC000091915272 571036147 /nfs/dbraw/zinc/03/61/47/571036147.db2.gz IKXUDJOICXZWOY-QFIPXVFZSA-N 0 3 384.524 2.168 50 0 GEAAHN N[C@H]1CN(C(=O)CCCc2nc(-c3ccncc3)no2)C[C@@H]1c1ccccc1 ZINC000091973992 571038493 /nfs/dbraw/zinc/03/84/93/571038493.db2.gz GSJNQGLFDOLKOC-MSOLQXFVSA-N 0 3 377.448 2.408 50 0 GEAAHN Cc1cc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 ZINC000095358091 571053379 /nfs/dbraw/zinc/05/33/79/571053379.db2.gz DBQZLKDWSPWKLQ-CDHQVMDDSA-N 0 3 379.464 2.163 50 0 GEAAHN CN1CCN(C[C@@H]2CN(Cc3ccc(-c4ccccc4F)o3)C[C@@H]2CO)CC1 ZINC000095358618 571053751 /nfs/dbraw/zinc/05/37/51/571053751.db2.gz QMMSZUNYMVHKMR-QZTJIDSGSA-N 0 3 387.499 2.373 50 0 GEAAHN Cc1ccc(SCCNC(=O)[C@H]2CNC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000095366744 571058872 /nfs/dbraw/zinc/05/88/72/571058872.db2.gz YQXZATGKWVXJRF-IAGOWNOFSA-N 0 3 375.538 2.051 50 0 GEAAHN COc1ccc([C@@H]2CN(c3ccc(C(N)=O)cn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095373896 571062893 /nfs/dbraw/zinc/06/28/93/571062893.db2.gz SLOJJEFSYLNFKT-CEWLAPEOSA-N 0 3 378.476 2.256 50 0 GEAAHN C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1)c1ccccc1 ZINC000095376809 571064814 /nfs/dbraw/zinc/06/48/14/571064814.db2.gz CCRRMVWHFXDVQR-MRXNPFEDSA-N 0 3 387.505 2.162 50 0 GEAAHN COCc1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095377926 571065193 /nfs/dbraw/zinc/06/51/93/571065193.db2.gz WAWSVTYDZHNQMC-KSEOMHKRSA-N 0 3 380.492 2.391 50 0 GEAAHN Cc1ccccc1-c1noc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)n1 ZINC000095380034 571066756 /nfs/dbraw/zinc/06/67/56/571066756.db2.gz MDAIKYSNAUUYKR-NRFANRHFSA-N 0 3 383.496 2.174 50 0 GEAAHN COc1cccc2c1OC[C@H](C(=O)N1CCC(N3CCSCC3)CC1)C2 ZINC000095385177 571069874 /nfs/dbraw/zinc/06/98/74/571069874.db2.gz MGWAXIGDKSHKOX-MRXNPFEDSA-N 0 3 376.522 2.286 50 0 GEAAHN CN(C)c1ncc(CN2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095390063 571071943 /nfs/dbraw/zinc/07/19/43/571071943.db2.gz QQLHDMRNUJCFTP-PWRODBHTSA-N 0 3 379.508 2.310 50 0 GEAAHN Cc1ccc(C(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)c(=O)[nH]1 ZINC000095390179 571072144 /nfs/dbraw/zinc/07/21/44/571072144.db2.gz HIPKDBHANWPKNR-XUVXKRRUSA-N 0 3 379.460 2.091 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc(OC)nc3OC)C[C@H]2N(C)C)cc1 ZINC000095496478 571073962 /nfs/dbraw/zinc/07/39/62/571073962.db2.gz WAPJZGFZGUSSCS-ZWKOTPCHSA-N 0 3 385.464 2.277 50 0 GEAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN3CCC(F)(F)CC3)c2)CC1 ZINC000095498309 571074936 /nfs/dbraw/zinc/07/49/36/571074936.db2.gz IUULTOGIGLYYBE-LJQANCHMSA-N 0 3 397.510 2.295 50 0 GEAAHN CCc1nccn1CCNC(=O)c1ccc(OC2CCN(C)CC2)c(OC)c1 ZINC000095501507 571076703 /nfs/dbraw/zinc/07/67/03/571076703.db2.gz BKDZOPSQTCYIJS-UHFFFAOYSA-N 0 3 386.496 2.357 50 0 GEAAHN COC(=O)C1CCN(C[C@H](O)COc2ccc(CN3CCCCC3)cc2)CC1 ZINC000095509015 571080331 /nfs/dbraw/zinc/08/03/31/571080331.db2.gz FQXAIVQCHNDWPB-FQEVSTJZSA-N 0 3 390.524 2.297 50 0 GEAAHN COC(=O)C1CCN(C[C@@H](O)COc2ccc(CN3CCCCC3)cc2)CC1 ZINC000095509016 571080359 /nfs/dbraw/zinc/08/03/59/571080359.db2.gz FQXAIVQCHNDWPB-HXUWFJFHSA-N 0 3 390.524 2.297 50 0 GEAAHN CCC1CCN(Cc2cccc(OC)c2OC[C@@H](O)CN2CCOCC2)CC1 ZINC000095518001 571085176 /nfs/dbraw/zinc/08/51/76/571085176.db2.gz QCEZTRZBUFREPE-FQEVSTJZSA-N 0 3 392.540 2.389 50 0 GEAAHN COCCN1CCC(CN(Cc2ccncc2)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000095520790 571086475 /nfs/dbraw/zinc/08/64/75/571086475.db2.gz AZDDSEAEGMLMBX-UHFFFAOYSA-N 0 3 397.523 2.489 50 0 GEAAHN CN(C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnc[n-]c1=O ZINC000095524252 571089753 /nfs/dbraw/zinc/08/97/53/571089753.db2.gz NALRWOWFUHFZRC-INIZCTEOSA-N 0 3 388.899 2.450 50 0 GEAAHN CN(C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnc[n-]c1=O ZINC000095524252 571089756 /nfs/dbraw/zinc/08/97/56/571089756.db2.gz NALRWOWFUHFZRC-INIZCTEOSA-N 0 3 388.899 2.450 50 0 GEAAHN COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095525866 571090493 /nfs/dbraw/zinc/09/04/93/571090493.db2.gz UWYMTAGWVMDGIX-IBGZPJMESA-N 0 3 388.512 2.276 50 0 GEAAHN C[C@H]1CSc2ccc(S(=O)(=O)NCCCN3CCCC3)cc2NC1=O ZINC000015731143 642383380 /nfs/dbraw/zinc/38/33/80/642383380.db2.gz KONOZPHUXGWPJO-ZDUSSCGKSA-N 0 3 383.539 2.131 50 0 GEAAHN CN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl ZINC000013669872 531561065 /nfs/dbraw/zinc/56/10/65/531561065.db2.gz HNTUBLKLPHONIX-UHFFFAOYSA-N 0 3 387.933 2.196 50 0 GEAAHN O=C(CCC(=O)NCc1cccc(Br)c1)NCCN1CCCC1 ZINC000004715618 204067366 /nfs/dbraw/zinc/06/73/66/204067366.db2.gz 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Cc1cccc(N2CCN(CCC(=O)NCc3cn4ccccc4n3)CC2)c1 ZINC000095391981 136178929 /nfs/dbraw/zinc/17/89/29/136178929.db2.gz GNQFVSNEYNWTJQ-UHFFFAOYSA-N 0 3 377.492 2.471 50 0 GEAAHN CCc1cc(N2CCC(N[C@@H](C)c3nncn3C)CC2)nc(N2CCCC2)n1 ZINC000095503453 136180124 /nfs/dbraw/zinc/18/01/24/136180124.db2.gz MUZYQFCKTLCOLH-HNNXBMFYSA-N 0 3 384.532 2.087 50 0 GEAAHN O=C(CCC1CCN(CCn2cnnc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000095520384 136181092 /nfs/dbraw/zinc/18/10/92/136181092.db2.gz YBSZSKXJRBOGPP-UHFFFAOYSA-N 0 3 396.539 2.119 50 0 GEAAHN COc1ccc(CN2CCN(c3cc(C)nc(N)n3)C[C@@H]2CCO)c(C)c1C ZINC000106955743 136191648 /nfs/dbraw/zinc/19/16/48/136191648.db2.gz ICJBFFQTNIIUTE-SFHVURJKSA-N 0 3 385.512 2.066 50 0 GEAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc(C)n1 ZINC000065365051 535522872 /nfs/dbraw/zinc/52/28/72/535522872.db2.gz ZCISZRVZMLEPMN-UHFFFAOYSA-N 0 3 384.440 2.300 50 0 GEAAHN CCNC(=O)c1cccc(NC(=O)N(CCOC)C2CCN(C)CC2)c1C ZINC000096151457 570215361 /nfs/dbraw/zinc/21/53/61/570215361.db2.gz 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ZINC000020386954 570253919 /nfs/dbraw/zinc/25/39/19/570253919.db2.gz ZHGVIUSHYWIISJ-KRWDZBQOSA-N 0 3 399.539 2.263 50 0 GEAAHN CC(C)(N)c1cn(CC2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)nn1 ZINC000020867347 570282705 /nfs/dbraw/zinc/28/27/05/570282705.db2.gz PTNJAWQQMFXPFO-UHFFFAOYSA-N 0 3 393.495 2.210 50 0 GEAAHN CC(C)[C@@H](NCC(=O)N1C[C@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 ZINC000012900318 570287953 /nfs/dbraw/zinc/28/79/53/570287953.db2.gz WBYLJQTVUSLQNT-UYAOXDASSA-N 0 3 385.439 2.392 50 0 GEAAHN COc1ccccc1N1CCN(Cc2ccc(C(=O)NCCN(C)C)cc2)CC1 ZINC000034668506 570293174 /nfs/dbraw/zinc/29/31/74/570293174.db2.gz ZBHRXADQDRFBST-UHFFFAOYSA-N 0 3 396.535 2.309 50 0 GEAAHN CN1C(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2C1=O ZINC000023742067 570330554 /nfs/dbraw/zinc/33/05/54/570330554.db2.gz RPUXOOBWZZIVLX-IBGZPJMESA-N 0 3 377.444 2.479 50 0 GEAAHN CN1C(=O)COc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc21 ZINC000035377396 570347178 /nfs/dbraw/zinc/34/71/78/570347178.db2.gz OIYIMZPFIUWVAG-UHFFFAOYSA-N 0 3 379.460 2.436 50 0 GEAAHN Cn1ncc2c3ccccc3n(CCCC(=O)NCCN3CCCCC3)c2c1=O ZINC000035396997 570348569 /nfs/dbraw/zinc/34/85/69/570348569.db2.gz ZBNJEMFOAJWGKE-UHFFFAOYSA-N 0 3 395.507 2.271 50 0 GEAAHN Cc1ccc2c(c1)c1c3n2CCN(C[C@@H](O)CN2CCN(C)CC2)[C@@H]3CCC1 ZINC000226941661 570375607 /nfs/dbraw/zinc/37/56/07/570375607.db2.gz ZJUNKOUVYZCWIZ-PGRDOPGGSA-N 0 3 382.552 2.251 50 0 GEAAHN O=C1NC2(CCCC2)C(=O)N1CCCNCc1cnn(Cc2ccccc2)c1 ZINC000024082213 570378229 /nfs/dbraw/zinc/37/82/29/570378229.db2.gz WFFYBQYKJSJNNX-UHFFFAOYSA-N 0 3 381.480 2.276 50 0 GEAAHN CC[C@@H](CO)NCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000032616894 570512162 /nfs/dbraw/zinc/51/21/62/570512162.db2.gz MGGANXBBFUOLGY-KRWDZBQOSA-N 0 3 399.491 2.325 50 0 GEAAHN CN(C)CCN1C[C@@H](C(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CCC1=O ZINC000012057361 570603118 /nfs/dbraw/zinc/60/31/18/570603118.db2.gz FYAYWFDOJDSNCY-ONUXSRJRSA-N 0 3 375.557 2.461 50 0 GEAAHN COc1ccccc1-n1nnc(C(=O)NC2CCN(C)CC2)c1-c1ccncc1 ZINC000206647671 570644794 /nfs/dbraw/zinc/64/47/94/570644794.db2.gz WHFWKAGQYMPLCZ-UHFFFAOYSA-N 0 3 392.463 2.162 50 0 GEAAHN COc1cccc(N2C[C@@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)c1 ZINC000032755347 570797811 /nfs/dbraw/zinc/79/78/11/570797811.db2.gz RSUPSVVIUFFHBE-PXNSSMCTSA-N 0 3 381.476 2.467 50 0 GEAAHN COc1ccc(-n2c(O)c3onc(-c4cccc(OC)c4OC)c3c2O)cc1 ZINC000101289984 570818414 /nfs/dbraw/zinc/81/84/14/570818414.db2.gz ZGZGXRZPGQJTMR-QAPCUYQASA-N 0 3 382.372 2.005 50 0 GEAAHN C[C@H](NCc1ccccc1CN1CCOCC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000014239966 570835567 /nfs/dbraw/zinc/83/55/67/570835567.db2.gz JEZQZLQKPBTZNU-INIZCTEOSA-N 0 3 397.475 2.364 50 0 GEAAHN CN(CCCNC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Cc1ccccc1 ZINC000102186119 570842917 /nfs/dbraw/zinc/84/29/17/570842917.db2.gz ALVZAHNGNYDGOA-OALUTQOASA-N 0 3 385.508 2.190 50 0 GEAAHN CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N1CCC(CO)CC1)C2 ZINC000014540881 570849004 /nfs/dbraw/zinc/84/90/04/570849004.db2.gz JVSHGHRGWIEDRX-GOSISDBHSA-N 0 3 388.556 2.337 50 0 GEAAHN COCCN1C(=O)N(C)C(=O)C12CCN(C/C=C/c1ccc(OC)cc1)CC2 ZINC000014542533 570849262 /nfs/dbraw/zinc/84/92/62/570849262.db2.gz XCKGVNWQRHDGTA-SNAWJCMRSA-N 0 3 387.480 2.083 50 0 GEAAHN C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000007486457 570850947 /nfs/dbraw/zinc/85/09/47/570850947.db2.gz HGTMQMBRCZXWTK-OAHLLOKOSA-N 0 3 399.944 2.047 50 0 GEAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750781 570858821 /nfs/dbraw/zinc/85/88/21/570858821.db2.gz GHAOCGMAYPBVOU-MRXNPFEDSA-N 0 3 389.496 2.001 50 0 GEAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)nc(C)n2)CC1 ZINC000014969976 570867266 /nfs/dbraw/zinc/86/72/66/570867266.db2.gz JYQKGPXVBKFHIW-IBGZPJMESA-N 0 3 390.528 2.073 50 0 GEAAHN CN(C[C@@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCN1CCOCC1 ZINC000014976740 570868514 /nfs/dbraw/zinc/86/85/14/570868514.db2.gz HWSXTVRQJQLADZ-IBGZPJMESA-N 0 3 391.531 2.261 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)CCc1nnc(CCc2ccccc2OC)o1 ZINC000015075078 570878518 /nfs/dbraw/zinc/87/85/18/570878518.db2.gz CHJTVIMPCCASGF-KRWDZBQOSA-N 0 3 386.496 2.397 50 0 GEAAHN O=C(CNC(=O)NCc1ccccc1)NC1CCN(Cc2ccccc2)CC1 ZINC000012606782 570888824 /nfs/dbraw/zinc/88/88/24/570888824.db2.gz XEHICHAUJJEQNA-UHFFFAOYSA-N 0 3 380.492 2.267 50 0 GEAAHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccccc2Br)C1 ZINC000016778828 570933081 /nfs/dbraw/zinc/93/30/81/570933081.db2.gz POAPNBTVEVHGHO-ZIAGYGMSSA-N 0 3 386.286 2.464 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC[C@@H]1CC[NH2+]C1 ZINC000110796882 570953061 /nfs/dbraw/zinc/95/30/61/570953061.db2.gz KPLOGWYZDXVENS-VIFPVBQESA-N 0 3 397.722 2.389 50 0 GEAAHN CN1CCN(CCCN2C[C@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000091426531 571006922 /nfs/dbraw/zinc/00/69/22/571006922.db2.gz ARAWJSKNTSQOON-QFIPXVFZSA-N 0 3 387.524 2.224 50 0 GEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3c[nH]nc3-c3ccccc3)C[C@@H]2C1 ZINC000091426169 571007223 /nfs/dbraw/zinc/00/72/23/571007223.db2.gz SDRICYWKMFHUAN-WIYYLYMNSA-N 0 3 383.496 2.017 50 0 GEAAHN CN(C)[C@H](C(=O)NCC1(N2CCN(C)CC2)CCCC1)c1ccccc1F ZINC000091486577 571010884 /nfs/dbraw/zinc/01/08/84/571010884.db2.gz OFGSQUZNLJKMEY-IBGZPJMESA-N 0 3 376.520 2.105 50 0 GEAAHN CCN1CC[C@@]2(CN(Cc3ccc(OC)cc3OC)CCN2C)CCC1=O ZINC000091518883 571012148 /nfs/dbraw/zinc/01/21/48/571012148.db2.gz BOOQQXUJRXKZOV-OAQYLSRUSA-N 0 3 375.513 2.222 50 0 GEAAHN COCCN1CC2(CCC1=O)CCN(CCOc1ccc(OC)cc1)CC2 ZINC000091574546 571014890 /nfs/dbraw/zinc/01/48/90/571014890.db2.gz CONHTWJAEMGXEX-UHFFFAOYSA-N 0 3 376.497 2.425 50 0 GEAAHN CN1CCc2nc[nH]c2C12CCN(Cc1cc3ccccc3n(C)c1=O)CC2 ZINC000091574441 571014945 /nfs/dbraw/zinc/01/49/45/571014945.db2.gz KPQIAKGYLXRNJY-UHFFFAOYSA-N 0 3 377.492 2.241 50 0 GEAAHN Cc1ncc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@@H+](C)C3)c(=O)[n-]1 ZINC000091745662 571028907 /nfs/dbraw/zinc/02/89/07/571028907.db2.gz FKGLUPVSSWYHCT-SFHVURJKSA-N 0 3 380.492 2.420 50 0 GEAAHN Cc1ncc(C(=O)N2CCC3(CC2)C[C@H](c2ccccc2)C[N@H+](C)C3)c(=O)[n-]1 ZINC000091745662 571028909 /nfs/dbraw/zinc/02/89/09/571028909.db2.gz FKGLUPVSSWYHCT-SFHVURJKSA-N 0 3 380.492 2.420 50 0 GEAAHN CN1CCN(CCC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091757223 571029758 /nfs/dbraw/zinc/02/97/58/571029758.db2.gz CPADKOAMVBUDBR-JOCHJYFZSA-N 0 3 387.524 2.224 50 0 GEAAHN C[C@@H]1Oc2ccccc2N(CCC(=O)N(CCN(C)C)Cc2cccnc2)C1=O ZINC000084678102 571030592 /nfs/dbraw/zinc/03/05/92/571030592.db2.gz QXIRSFBJCLDEID-KRWDZBQOSA-N 0 3 396.491 2.176 50 0 GEAAHN Cc1n[nH]c(CCC(=O)N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)n1 ZINC000095366719 571058925 /nfs/dbraw/zinc/05/89/25/571058925.db2.gz GHOYDFCJTKEHNC-QGZVFWFLSA-N 0 3 379.468 2.092 50 0 GEAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc(Nc3ccccc3)nc1)C2 ZINC000095378691 571066108 /nfs/dbraw/zinc/06/61/08/571066108.db2.gz USQWRNHUNZKURA-VQIMIIECSA-N 0 3 381.480 2.403 50 0 GEAAHN Cc1nc2ccccn2c1C(=O)N1CCC[C@H](c2nccn2CCN(C)C)C1 ZINC000095383852 571069200 /nfs/dbraw/zinc/06/92/00/571069200.db2.gz WLYPAHVYQPNIQK-KRWDZBQOSA-N 0 3 380.496 2.421 50 0 GEAAHN COc1ccccc1CNC(=O)CN1CC[C@]2(C1)CCCN(CC1CCC1)C2=O ZINC000095390062 571072092 /nfs/dbraw/zinc/07/20/92/571072092.db2.gz RPBKOTBMURXOEZ-QHCPKHFHSA-N 0 3 399.535 2.426 50 0 GEAAHN Cc1cc(=O)c(C(=O)N2C[C@H]3CC[C@@H]2CN(C2Cc4ccccc4C2)C3)c[nH]1 ZINC000095391855 571073139 /nfs/dbraw/zinc/07/31/39/571073139.db2.gz KOTYBACUBBACCP-QFBILLFUSA-N 0 3 377.488 2.387 50 0 GEAAHN CC(=O)C(=O)N(C[C@@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1 ZINC000095505439 571078434 /nfs/dbraw/zinc/07/84/34/571078434.db2.gz DYPHFLYRLDSVIU-QFIPXVFZSA-N 0 3 384.520 2.462 50 0 GEAAHN COc1cc(C(=O)NCc2snnc2C)ccc1OC1CCN(C)CC1 ZINC000095507482 571079598 /nfs/dbraw/zinc/07/95/98/571079598.db2.gz ZBMDFGIQLWOJQC-UHFFFAOYSA-N 0 3 376.482 2.258 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3O1)CC2 ZINC000095517144 571084399 /nfs/dbraw/zinc/08/43/99/571084399.db2.gz LMSKEEHNZMHRPG-LJQANCHMSA-N 0 3 380.492 2.499 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccccc3-c3nnn[n-]3)C[C@H]2[NH+](C)C)cc1 ZINC000095517984 571085063 /nfs/dbraw/zinc/08/50/63/571085063.db2.gz ZVFROIOCEMJBSP-RBUKOAKNSA-N 0 3 376.464 2.345 50 0 GEAAHN C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000095521898 571087723 /nfs/dbraw/zinc/08/77/23/571087723.db2.gz XHNUIFVUGCESPU-INIZCTEOSA-N 0 3 381.484 2.126 50 0 GEAAHN CN1CCN(Cc2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088304 /nfs/dbraw/zinc/08/83/04/571088304.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 0 3 395.547 2.232 50 0 GEAAHN COc1cc(CN2CCCC2(C)C)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095531135 571093311 /nfs/dbraw/zinc/09/33/11/571093311.db2.gz VTAHLGLXYSGDGY-GOSISDBHSA-N 0 3 378.513 2.142 50 0 GEAAHN CSCCNC(=O)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000426473384 231224645 /nfs/dbraw/zinc/22/46/45/231224645.db2.gz DWFKXCRIKKEGKA-UHFFFAOYSA-N 0 3 376.570 2.341 50 0 GEAAHN O=C(NCCSc1nc2ccccc2o1)NCc1cc2n(n1)CCCNC2 ZINC000426509310 231232655 /nfs/dbraw/zinc/23/26/55/231232655.db2.gz GFGLRQMBFXVLML-UHFFFAOYSA-N 0 3 386.481 2.109 50 0 GEAAHN COc1ccc(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000426552402 231241288 /nfs/dbraw/zinc/24/12/88/231241288.db2.gz XFYSOPMSMSFQEE-GOSISDBHSA-N 0 3 385.512 2.036 50 0 GEAAHN Cc1c(F)cccc1CN1CCC[C@@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426613517 231246785 /nfs/dbraw/zinc/24/67/85/231246785.db2.gz BIYZTJMPMUZCTR-GOSISDBHSA-N 0 3 387.503 2.474 50 0 GEAAHN O=C(NCCN1CCC[C@H](CO)C1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000426727315 231256730 /nfs/dbraw/zinc/25/67/30/231256730.db2.gz CKZHEWFEGHKQBY-IBGZPJMESA-N 0 3 377.504 2.494 50 0 GEAAHN CCc1cnc(C)nc1-c1cccc(C(=O)NCCN2CCC[C@@H](CO)C2)c1 ZINC000426440460 529637763 /nfs/dbraw/zinc/63/77/63/529637763.db2.gz ZABDHFRWKTYVLL-QGZVFWFLSA-N 0 3 382.508 2.449 50 0 GEAAHN NCc1cn(CC2CCN(C(=O)CSc3ccc(Cl)cc3)CC2)nn1 ZINC000023430274 531597764 /nfs/dbraw/zinc/59/77/64/531597764.db2.gz FRAZROZEFUEONR-UHFFFAOYSA-N 0 3 379.917 2.421 50 0 GEAAHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccccc2Br)C1 ZINC000004185910 204031775 /nfs/dbraw/zinc/03/17/75/204031775.db2.gz POAPNBTVEVHGHO-KBPBESRZSA-N 0 3 386.286 2.464 50 0 GEAAHN CCN(Cc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12)C1CCCCC1 ZINC000004397892 204043872 /nfs/dbraw/zinc/04/38/72/204043872.db2.gz GRYKWBYDCHKPTN-UHFFFAOYSA-N 0 3 375.498 2.101 50 0 GEAAHN Cc1ccc(S(=O)(=O)N(CC(=O)NCCN(C)C)c2ccccc2C)cc1 ZINC000010111537 204330723 /nfs/dbraw/zinc/33/07/23/204330723.db2.gz PZPCEEJYENJKRO-UHFFFAOYSA-N 0 3 389.521 2.177 50 0 GEAAHN CN(C[C@@H]1CCCN1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000011873711 204358992 /nfs/dbraw/zinc/35/89/92/204358992.db2.gz ULASPWIROQVGTO-FQEVSTJZSA-N 0 3 396.539 2.361 50 0 GEAAHN CC(=O)c1ccc(-c2nnc(CCC(=O)N(C)CCN3CCCC3)o2)s1 ZINC000012387188 204403239 /nfs/dbraw/zinc/40/32/39/204403239.db2.gz WAGOERYQUKMXMI-UHFFFAOYSA-N 0 3 376.482 2.488 50 0 GEAAHN CN(C)CCSc1nnc(Cn2cnc3sc4c(c3c2=O)CCCC4)o1 ZINC000031814458 204906026 /nfs/dbraw/zinc/90/60/26/204906026.db2.gz JJTJATMIVVGJCO-UHFFFAOYSA-N 0 3 391.522 2.422 50 0 GEAAHN COc1ccc(-n2nnc(C(=O)NC3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000077100321 205032342 /nfs/dbraw/zinc/03/23/42/205032342.db2.gz SXSKGSMOQLJHHN-UHFFFAOYSA-N 0 3 392.463 2.065 50 0 GEAAHN Cc1ccc(-c2noc(CS(=O)(=O)C(C)C(=O)NC3CCCC3)n2)cc1 ZINC000040106239 205052656 /nfs/dbraw/zinc/05/26/56/205052656.db2.gz KYUSQJQDMZDDPC-CYBMUJFWSA-N 0 3 377.466 2.407 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000040285113 205061845 /nfs/dbraw/zinc/06/18/45/205061845.db2.gz VTHCNPQNCTYXRE-GFCCVEGCSA-N 0 3 397.401 2.131 50 0 GEAAHN Cc1ccc(NC(=O)COc2ccccc2CNCCN2CCOCC2)cc1 ZINC000040720747 205068926 /nfs/dbraw/zinc/06/89/26/205068926.db2.gz XAIIOYMKYKRERP-UHFFFAOYSA-N 0 3 383.492 2.434 50 0 GEAAHN CCOc1cc(CNCCNC(=O)c2nonc2N)cc(Cl)c1OC(C)C ZINC000040744463 205071219 /nfs/dbraw/zinc/07/12/19/205071219.db2.gz CNZAIHJTCMINPQ-UHFFFAOYSA-N 0 3 397.863 2.011 50 0 GEAAHN O=C(NC[C@@H]1CCN(CCN2CCOCC2)C1)c1occc1-c1ccccc1 ZINC000048275522 205116525 /nfs/dbraw/zinc/11/65/25/205116525.db2.gz DSUSKJFAFIHBCU-SFHVURJKSA-N 0 3 383.492 2.331 50 0 GEAAHN CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)c1cnc2onc(C)c2c1 ZINC000058175499 205167158 /nfs/dbraw/zinc/16/71/58/205167158.db2.gz PTWRHVGSPQPZTO-MRXNPFEDSA-N 0 3 388.468 2.411 50 0 GEAAHN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058226005 205170496 /nfs/dbraw/zinc/17/04/96/205170496.db2.gz IKCGPARMOXZPMB-KKSFZXQISA-N 0 3 396.491 2.068 50 0 GEAAHN C[C@H]1CCC[C@](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)(N(C)C)C1 ZINC000058249828 205170867 /nfs/dbraw/zinc/17/08/67/205170867.db2.gz KYOHVQMHLUZUEU-LIRRHRJNSA-N 0 3 379.526 2.360 50 0 GEAAHN CCOc1ccc(S(=O)(=O)N(CCN(C)C)C[C@H]2CCCN2CC)cc1 ZINC000058341128 205172964 /nfs/dbraw/zinc/17/29/64/205172964.db2.gz CMBQOSYMQDIVBV-QGZVFWFLSA-N 0 3 383.558 2.122 50 0 GEAAHN CCOC(=O)C1CCN([C@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000058441187 205176494 /nfs/dbraw/zinc/17/64/94/205176494.db2.gz WBTFWQUUBCFYDB-XLIONFOSSA-N 0 3 387.524 2.041 50 0 GEAAHN CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)Nc3ccccc3)ccc21 ZINC000061718548 205181421 /nfs/dbraw/zinc/18/14/21/205181421.db2.gz PXRKWTFHNGUQBK-UHFFFAOYSA-N 0 3 380.452 2.358 50 0 GEAAHN CCn1c2c(C(=O)Nc3cccc(Cl)c3C)cnn2c(=O)c2c1CCNC2 ZINC000064966182 205203524 /nfs/dbraw/zinc/20/35/24/205203524.db2.gz AKSNSKWEYABDHR-UHFFFAOYSA-N 0 3 385.855 2.376 50 0 GEAAHN CCN1CCN(CCCNC(=O)CCc2cc3ccc(C)cc3[nH]c2=O)CC1 ZINC000065245606 205221665 /nfs/dbraw/zinc/22/16/65/205221665.db2.gz PRUAQJOCQAUBJW-UHFFFAOYSA-N 0 3 384.524 2.325 50 0 GEAAHN CCNc1cc(N2CCN(C(=O)Nc3ccc4c(c3)OCCO4)CC2)nc(C)n1 ZINC000065362250 205230171 /nfs/dbraw/zinc/23/01/71/205230171.db2.gz DAQPHNSOQLFRSU-UHFFFAOYSA-N 0 3 398.467 2.342 50 0 GEAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(F)cc2F)cc(N2CCCC2)n1 ZINC000065362803 205231213 /nfs/dbraw/zinc/23/12/13/205231213.db2.gz DNEYUTLTWUPGHK-UHFFFAOYSA-N 0 3 397.451 2.054 50 0 GEAAHN Cc1ccc(Cl)cc1N([C@@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000065363784 205232063 /nfs/dbraw/zinc/23/20/63/205232063.db2.gz QIZGACAAJZDFTR-ZDUSSCGKSA-N 0 3 387.933 2.013 50 0 GEAAHN Cc1cc(C(F)(F)F)nc(CCn2cnc3sc4c(c3c2=O)CCNC4)n1 ZINC000065382946 205232686 /nfs/dbraw/zinc/23/26/86/205232686.db2.gz QHSUWHKRGZGVAP-UHFFFAOYSA-N 0 3 395.410 2.464 50 0 GEAAHN C[C@@H](C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1)N1CCCC1 ZINC000065527374 205235705 /nfs/dbraw/zinc/23/57/05/205235705.db2.gz VKYYAVXPAFVXLQ-INIZCTEOSA-N 0 3 381.480 2.352 50 0 GEAAHN COC(=O)[C@H](Cc1ccc(O)cc1)Nc1ncnc2sc3c(c21)CCNC3 ZINC000065496427 205236231 /nfs/dbraw/zinc/23/62/31/205236231.db2.gz GASMBPVXGJJBJY-AWEZNQCLSA-N 0 3 384.461 2.239 50 0 GEAAHN c1ccc(-c2noc(CCNc3ncnc4sc5c(c43)CCNC5)n2)nc1 ZINC000065530716 205238354 /nfs/dbraw/zinc/23/83/54/205238354.db2.gz IODOIZXUSLMSCA-UHFFFAOYSA-N 0 3 379.449 2.437 50 0 GEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000067612988 205250259 /nfs/dbraw/zinc/25/02/59/205250259.db2.gz AWKGFOAHTUVDIO-INIZCTEOSA-N 0 3 387.933 2.095 50 0 GEAAHN Cc1ccc(C)c(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000067622767 205251833 /nfs/dbraw/zinc/25/18/33/205251833.db2.gz 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ZINC000067920977 205267963 /nfs/dbraw/zinc/26/79/63/205267963.db2.gz OTFOURPOJXJXGV-SFHVURJKSA-N 0 3 382.443 2.215 50 0 GEAAHN COc1cccc(CN2CCC[C@@](O)(CNCc3ccsc3)C2=O)c1OC ZINC000067946183 205268230 /nfs/dbraw/zinc/26/82/30/205268230.db2.gz AZFOGISAOKAOHP-HXUWFJFHSA-N 0 3 390.505 2.409 50 0 GEAAHN COC(=O)c1ccc(OC)c(NC(=O)C2CC(=O)N=C3Nc4ccccc4N32)c1 ZINC000090594544 205273395 /nfs/dbraw/zinc/27/33/95/205273395.db2.gz RQELUMPBBNWPMX-HNNXBMFYSA-N 0 3 394.387 2.007 50 0 GEAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)CN2CCNCC2)CCO3)s1 ZINC000067446615 205247200 /nfs/dbraw/zinc/24/72/00/205247200.db2.gz LYZVJDJSNINSRU-UHFFFAOYSA-N 0 3 387.505 2.055 50 0 GEAAHN O=C(CN1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2Cc2ccccc2)CC1 ZINC000067432442 205247319 /nfs/dbraw/zinc/24/73/19/205247319.db2.gz LNYPFGXAIZHFOO-FQEVSTJZSA-N 0 3 382.508 2.163 50 0 GEAAHN Cn1ccn2ncc(C(=O)N3C[C@@H](c4ccccc4)[C@@H]4[C@H]3C3CCN4CC3)c12 ZINC000072121578 205304820 /nfs/dbraw/zinc/30/48/20/205304820.db2.gz SJWXWJOSXUSWLC-XUVXKRRUSA-N 0 3 375.476 2.375 50 0 GEAAHN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCSC[C@@H]1CN1CCCC1 ZINC000090609027 205275460 /nfs/dbraw/zinc/27/54/60/205275460.db2.gz SJEZIBYJFZWPGH-HNNXBMFYSA-N 0 3 398.550 2.050 50 0 GEAAHN CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000069419189 205276077 /nfs/dbraw/zinc/27/60/77/205276077.db2.gz YBSVRFGGMODSMA-FQEVSTJZSA-N 0 3 380.492 2.360 50 0 GEAAHN CC(C)C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)N1CCOCC1 ZINC000070009135 205278817 /nfs/dbraw/zinc/27/88/17/205278817.db2.gz LFALGAOBICEHMR-SFTDATJTSA-N 0 3 388.556 2.157 50 0 GEAAHN CCc1nc(C)c([C@H]2CN(C)C[C@@H]2C(=O)N(C)Cc2noc3c2CCCC3)[nH]1 ZINC000072158384 205312206 /nfs/dbraw/zinc/31/22/06/205312206.db2.gz OOXDDVJPIAQUQC-HOTGVXAUSA-N 0 3 385.512 2.451 50 0 GEAAHN O=C1CC[C@@]2(CCCN(Cc3cccc(Cn4cccn4)c3)C2)CN1CCO ZINC000077486886 205363992 /nfs/dbraw/zinc/36/39/92/205363992.db2.gz LWDOULBHDAEKBN-JOCHJYFZSA-N 0 3 382.508 2.128 50 0 GEAAHN CN(C)Cc1nnc(C2CCN(Cc3ccc(-n4cccn4)cc3)CC2)n1C ZINC000077343610 205359792 /nfs/dbraw/zinc/35/97/92/205359792.db2.gz OKSHQMSKBRTNPL-UHFFFAOYSA-N 0 3 379.512 2.442 50 0 GEAAHN COc1ccc(-c2noc(CCN3CCCN(c4ncccn4)CC3)n2)cc1 ZINC000072402770 205345859 /nfs/dbraw/zinc/34/58/59/205345859.db2.gz KIOAUGIBPFATLF-UHFFFAOYSA-N 0 3 380.452 2.290 50 0 GEAAHN CN(Cc1c[nH]nc1-c1ccccc1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072407526 205346117 /nfs/dbraw/zinc/34/61/17/205346117.db2.gz MTSNKNJPSAZIAP-UHFFFAOYSA-N 0 3 378.480 2.358 50 0 GEAAHN Cc1nc2ccccc2nc1CN1CCC2(CN(CCN(C)C)C(=O)O2)CC1 ZINC000072410718 205346577 /nfs/dbraw/zinc/34/65/77/205346577.db2.gz ZDOGSTOKYNUOFM-UHFFFAOYSA-N 0 3 383.496 2.287 50 0 GEAAHN O=c1[nH]c2cc(F)ccc2cc1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072410402 205347693 /nfs/dbraw/zinc/34/76/93/205347693.db2.gz JPXCFERXVGZFAI-UHFFFAOYSA-N 0 3 378.411 2.269 50 0 GEAAHN CN(Cc1cc(-c2ccncc2)no1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072423846 205348583 /nfs/dbraw/zinc/34/85/83/205348583.db2.gz IWQLDNYASKUHMB-UHFFFAOYSA-N 0 3 380.452 2.018 50 0 GEAAHN Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC([C@@H](C)N4CCOCC4)CC3)c2c1 ZINC000072422074 205349558 /nfs/dbraw/zinc/34/95/58/205349558.db2.gz MRLFWJWVXVXJSI-MRXNPFEDSA-N 0 3 383.492 2.409 50 0 GEAAHN c1ccc(-c2nc3c(c(NCc4nc(-c5cccnc5)no4)n2)CCNC3)nc1 ZINC000082121623 205387954 /nfs/dbraw/zinc/38/79/54/205387954.db2.gz XGDGBKJEMFQZMT-UHFFFAOYSA-N 0 3 386.419 2.241 50 0 GEAAHN O=C(c1ccncc1)N1CCC2(CCN(Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097413247 205590164 /nfs/dbraw/zinc/59/01/64/205590164.db2.gz ZQLSCHVJDSLCBG-FQEVSTJZSA-N 0 3 380.492 2.213 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NCc3cnc4ccccn34)CC2)c1 ZINC000252509092 206142525 /nfs/dbraw/zinc/14/25/25/206142525.db2.gz YCHVBPADQQOFPM-UHFFFAOYSA-N 0 3 377.492 2.471 50 0 GEAAHN Cc1ccc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 ZINC000299767821 206187009 /nfs/dbraw/zinc/18/70/09/206187009.db2.gz VNCIHPHPDLIGGQ-QGZVFWFLSA-N 0 3 391.537 2.031 50 0 GEAAHN CCCCN(C)C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(CCN(C)C)C1=O ZINC000299772317 206187994 /nfs/dbraw/zinc/18/79/94/206187994.db2.gz YADSWRFTRSDULK-QFIPXVFZSA-N 0 3 387.524 2.202 50 0 GEAAHN O=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000299773457 206189231 /nfs/dbraw/zinc/18/92/31/206189231.db2.gz BSMIMABUQCQNCC-SFHVURJKSA-N 0 3 377.452 2.448 50 0 GEAAHN O=C(c1ccc(=O)n(CCN2CCCC2)c1)N1CCN(c2ccccc2F)CC1 ZINC000064760494 136157718 /nfs/dbraw/zinc/15/77/18/136157718.db2.gz RIGGTBTXBWGOMQ-UHFFFAOYSA-N 0 3 398.482 2.046 50 0 GEAAHN Cc1cc(N2CCC([NH2+]Cc3cc(=O)[n-]cn3)CC2)nc(-c2ccccc2)n1 ZINC000096150191 136184501 /nfs/dbraw/zinc/18/45/01/136184501.db2.gz RQVKBYZXOJWJLW-UHFFFAOYSA-N 0 3 376.464 2.294 50 0 GEAAHN C[C@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387301 136186818 /nfs/dbraw/zinc/18/68/18/136186818.db2.gz GDCZWXNKCORVDJ-DLBZAZTESA-N 0 3 382.512 2.232 50 0 GEAAHN O=c1c2c3c(sc2ncn1Cc1ccccc1Cn1cccn1)CNCC3 ZINC000065397809 222128265 /nfs/dbraw/zinc/12/82/65/222128265.db2.gz PRZSHVZIEQCXTO-UHFFFAOYSA-N 0 3 377.473 2.397 50 0 GEAAHN Cc1nc(N)nc(C)c1CC(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000072475197 222265103 /nfs/dbraw/zinc/26/51/03/222265103.db2.gz HRVOUOUPKFXMLB-UHFFFAOYSA-N 0 3 379.508 2.267 50 0 GEAAHN CCN1CCN(CCN2CC3(CCN(Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072475199 222265671 /nfs/dbraw/zinc/26/56/71/222265671.db2.gz DUFNDUCKLNBMDR-UHFFFAOYSA-N 0 3 390.528 2.012 50 0 GEAAHN CCCNC(=O)c1ccc(NC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c(C)c1 ZINC000426489561 528449799 /nfs/dbraw/zinc/44/97/99/528449799.db2.gz BMPIWLLRFHELMU-OALUTQOASA-N 0 3 388.512 2.198 50 0 GEAAHN CCc1cc(N2CCC(N3CCC[C@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000089282922 536145021 /nfs/dbraw/zinc/14/50/21/536145021.db2.gz PQFJOESGTLEELE-SFHVURJKSA-N 0 3 380.496 2.020 50 0 GEAAHN Cc1nccn1CCN1CCC(c2nnc(Cn3cccn3)n2C2CC2)CC1 ZINC000096163624 570217413 /nfs/dbraw/zinc/21/74/13/570217413.db2.gz FZCFOUGUZZDTFF-UHFFFAOYSA-N 0 3 380.500 2.242 50 0 GEAAHN O=C(c1ccccc1)N1CCC(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000019877482 570226992 /nfs/dbraw/zinc/22/69/92/570226992.db2.gz ACRWBCMXQRVGFG-IBGZPJMESA-N 0 3 395.434 2.352 50 0 GEAAHN Cc1noc(C)c1CN1CCC2(CCN(Cc3cncn3C)CC2)[C@H](CO)C1 ZINC000097334308 570241773 /nfs/dbraw/zinc/24/17/73/570241773.db2.gz FQRHPWAOHRJTHP-SFHVURJKSA-N 0 3 387.528 2.122 50 0 GEAAHN CCOC(=O)c1sc2ccccc2c1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000097572343 570247063 /nfs/dbraw/zinc/24/70/63/570247063.db2.gz UTSYGYKLSDRSIL-STQMWFEESA-N 0 3 377.466 2.217 50 0 GEAAHN Cn1c(=O)c(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cc2c1CCCC2 ZINC000097698741 570249630 /nfs/dbraw/zinc/24/96/30/570249630.db2.gz FIZKLZNBAJKLSV-LJQANCHMSA-N 0 3 379.504 2.483 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@@H](n3cc(C(=O)NCCCO)nn3)C2)cc1 ZINC000020272766 570251258 /nfs/dbraw/zinc/25/12/58/570251258.db2.gz YAMJGZXICYDPOA-LJQANCHMSA-N 0 3 385.512 2.351 50 0 GEAAHN CSCC(=O)N1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@H](CO)C1 ZINC000097732786 570252536 /nfs/dbraw/zinc/25/25/36/570252536.db2.gz NITCIMUEIHKCCA-KRWDZBQOSA-N 0 3 378.538 2.178 50 0 GEAAHN OCCOc1ccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020600567 570270007 /nfs/dbraw/zinc/27/00/07/570270007.db2.gz BIOFORLIZWSYQL-QFIPXVFZSA-N 0 3 384.520 2.169 50 0 GEAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 ZINC000020777943 570279998 /nfs/dbraw/zinc/27/99/98/570279998.db2.gz AGUKEAGFDUGFRG-QGZVFWFLSA-N 0 3 385.512 2.167 50 0 GEAAHN Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)c(=O)[n-]1 ZINC000215072115 570285215 /nfs/dbraw/zinc/28/52/15/570285215.db2.gz PGFUICPNKFWVIR-MOPGFXCFSA-N 0 3 380.492 2.052 50 0 GEAAHN Cc1nc(C)c(CC(=O)N2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c(=O)[n-]1 ZINC000215072115 570285216 /nfs/dbraw/zinc/28/52/16/570285216.db2.gz PGFUICPNKFWVIR-MOPGFXCFSA-N 0 3 380.492 2.052 50 0 GEAAHN CC(C)[C@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 ZINC000012900310 570288046 /nfs/dbraw/zinc/28/80/46/570288046.db2.gz WBYLJQTVUSLQNT-ICSRJNTNSA-N 0 3 385.439 2.392 50 0 GEAAHN COCCN1CC[C@@]2(CN(Cc3ccccc3Cl)CCN2C)CCC1=O ZINC000108034747 570311767 /nfs/dbraw/zinc/31/17/67/570311767.db2.gz HFLWOWWHVYONRG-HXUWFJFHSA-N 0 3 379.932 2.485 50 0 GEAAHN Cc1ccn2c(=O)cc(CNC[C@H](c3ccc(F)cc3)N3CCOCC3)nc2c1 ZINC000022797725 570328193 /nfs/dbraw/zinc/32/81/93/570328193.db2.gz QDGWYEJMEDRRIY-HXUWFJFHSA-N 0 3 396.466 2.305 50 0 GEAAHN CC1(C)Cc2cccc(OCC(=O)NCC3CCN([C@@H]4CCOC4)CC3)c2O1 ZINC000575605177 570328725 /nfs/dbraw/zinc/32/87/25/570328725.db2.gz AKSNHLHIUZBSFT-GOSISDBHSA-N 0 3 388.508 2.396 50 0 GEAAHN CCN1CCC(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022992020 570339925 /nfs/dbraw/zinc/33/99/25/570339925.db2.gz WZDPNNJXFZJSDT-LJQANCHMSA-N 0 3 395.569 2.289 50 0 GEAAHN OCc1cc(N2CCC3(CC2)c2ccccc2[C@@H](n2ccnc2)[C@@H]3O)ccn1 ZINC000023541853 570364886 /nfs/dbraw/zinc/36/48/86/570364886.db2.gz RGJWLZIGCYQNBF-RTWAWAEBSA-N 0 3 376.460 2.273 50 0 GEAAHN CCN1CCC[C@H]1CN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 ZINC000226356217 570375283 /nfs/dbraw/zinc/37/52/83/570375283.db2.gz RINLSZMCNROFFG-KBXCAEBGSA-N 0 3 386.521 2.343 50 0 GEAAHN CCCCC(=O)Nc1cnc(N2CCNCC2)c(C(=O)N(C)CCCC)c1 ZINC000035514117 570389336 /nfs/dbraw/zinc/38/93/36/570389336.db2.gz UVQAMSHSRZSZFV-UHFFFAOYSA-N 0 3 375.517 2.492 50 0 GEAAHN CN(C)[C@H](CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000025421719 570413780 /nfs/dbraw/zinc/41/37/80/570413780.db2.gz QORAGOPNYIVBAY-QGZVFWFLSA-N 0 3 386.496 2.050 50 0 GEAAHN CCCn1nc(C(=O)NC[C@H](C(C)C)N2CCc3ccccc3C2)ccc1=O ZINC000025535232 570415258 /nfs/dbraw/zinc/41/52/58/570415258.db2.gz VLUVORDDMGEQRT-HXUWFJFHSA-N 0 3 382.508 2.466 50 0 GEAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000064333871 570426940 /nfs/dbraw/zinc/42/69/40/570426940.db2.gz BOLFQRDNJHMMDZ-HOTGVXAUSA-N 0 3 390.434 2.360 50 0 GEAAHN CN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)c3ccccc32)CC1 ZINC000022923799 570576096 /nfs/dbraw/zinc/57/60/96/570576096.db2.gz JMUYPENQGUMBDE-UHFFFAOYSA-N 0 3 391.519 2.457 50 0 GEAAHN O[C@@H](CN1CCC(O)CC1)CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005127278 570658896 /nfs/dbraw/zinc/65/88/96/570658896.db2.gz SCHHIRRGUHQLIR-HXUWFJFHSA-N 0 3 377.431 2.408 50 0 GEAAHN CCOc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)cn1 ZINC000046345844 570671516 /nfs/dbraw/zinc/67/15/16/570671516.db2.gz ZKPYPDKMQMIDGJ-UHFFFAOYSA-N 0 3 382.464 2.430 50 0 GEAAHN CN(CCN1CCCCC1)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000012712008 570702849 /nfs/dbraw/zinc/70/28/49/570702849.db2.gz YBYZSARXHRVZCY-UHFFFAOYSA-N 0 3 386.452 2.342 50 0 GEAAHN CC(=O)N(C)c1ccc(NC(=O)CNC[C@H]2Cc3ccccc3CN2C)cc1 ZINC000065393583 570764446 /nfs/dbraw/zinc/76/44/46/570764446.db2.gz RVHIOOSCBVDJPM-OAQYLSRUSA-N 0 3 380.492 2.254 50 0 GEAAHN COc1cccc(N2C[C@@H](C(=O)NC[C@H](c3ccccc3)N(C)C)CC2=O)c1 ZINC000032755342 570797768 /nfs/dbraw/zinc/79/77/68/570797768.db2.gz RSUPSVVIUFFHBE-FXAWDEMLSA-N 0 3 381.476 2.467 50 0 GEAAHN COCCN1C(=O)N(C)C(=O)C12CCN(Cc1cn(C)c3ccccc13)CC2 ZINC000014539856 570849063 /nfs/dbraw/zinc/84/90/63/570849063.db2.gz MNRGEIJIAVWOCA-UHFFFAOYSA-N 0 3 384.480 2.053 50 0 GEAAHN O=C(Nc1cnc(-c2ccccc2)nc1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000170593407 570851709 /nfs/dbraw/zinc/85/17/09/570851709.db2.gz JHFUMZGKYAIUDO-GOSISDBHSA-N 0 3 379.464 2.169 50 0 GEAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](NCc1ccccc1F)C2 ZINC000014744801 570858481 /nfs/dbraw/zinc/85/84/81/570858481.db2.gz NASXRYCEZBNLSQ-MRXNPFEDSA-N 0 3 386.471 2.162 50 0 GEAAHN COc1cc(CN[C@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc(OC)c1 ZINC000014746833 570858994 /nfs/dbraw/zinc/85/89/94/570858994.db2.gz JRTWNXGPZZKFRM-INIZCTEOSA-N 0 3 398.507 2.320 50 0 GEAAHN COc1cccc(C(=O)NC[C@H]2CCCN(Cc3cnn(C)c3C)C2)c1OC ZINC000014969638 570867622 /nfs/dbraw/zinc/86/76/22/570867622.db2.gz SJIBGQVGGSNEKQ-MRXNPFEDSA-N 0 3 386.496 2.388 50 0 GEAAHN Cc1ncc(CN2CCC[C@@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)s1 ZINC000014974461 570867878 /nfs/dbraw/zinc/86/78/78/570867878.db2.gz QSNDSUDWTKXOLF-CQSZACIVSA-N 0 3 383.481 2.278 50 0 GEAAHN O=C(NCCCc1ccccn1)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000015069695 570876704 /nfs/dbraw/zinc/87/67/04/570876704.db2.gz JJRXQPXUUHAQIR-UHFFFAOYSA-N 0 3 379.508 2.371 50 0 GEAAHN O=C(NCCc1ccccc1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127538 570912334 /nfs/dbraw/zinc/91/23/34/570912334.db2.gz NCBFXZZSZIDUJS-UHFFFAOYSA-N 0 3 385.533 2.435 50 0 GEAAHN Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCN(C)C[C@@H]3CN)cc12 ZINC000097019702 570914458 /nfs/dbraw/zinc/91/44/58/570914458.db2.gz MXVAWNZNKOAPKT-HNNXBMFYSA-N 0 3 387.484 2.249 50 0 GEAAHN CCCCN1CCn2nc(CNC(=O)N(C)Cc3n[nH]c4c3CCC4)cc2C1 ZINC000534654498 570915073 /nfs/dbraw/zinc/91/50/73/570915073.db2.gz DONDXZGCHRFNFI-UHFFFAOYSA-N 0 3 385.516 2.052 50 0 GEAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CN1CCN(C2CCCC2)CC1 ZINC000019217950 570962377 /nfs/dbraw/zinc/96/23/77/570962377.db2.gz KBLNRRZTUWUPEX-JOCHJYFZSA-N 0 3 389.515 2.239 50 0 GEAAHN O=C(c1nc2ccccn2c1CNCCc1ccccc1F)N1CCOCC1 ZINC000019226416 570963747 /nfs/dbraw/zinc/96/37/47/570963747.db2.gz QZKHQZYLVNYJRC-UHFFFAOYSA-N 0 3 382.439 2.278 50 0 GEAAHN CCN1CC[C@]2(CN(Cc3ccc(OC)cc3OC)CCN2C)CCC1=O ZINC000091518882 571012293 /nfs/dbraw/zinc/01/22/93/571012293.db2.gz BOOQQXUJRXKZOV-NRFANRHFSA-N 0 3 375.513 2.222 50 0 GEAAHN NS(=O)(=O)c1ccc(CNCc2cc(=O)c3cccc(Cl)c3[nH]2)cc1 ZINC000091596153 571017252 /nfs/dbraw/zinc/01/72/52/571017252.db2.gz HJENGYLYMPGGQH-UHFFFAOYSA-N 0 3 377.853 2.119 50 0 GEAAHN COc1c(F)c(F)c(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)c(F)c1F ZINC000091616993 571018531 /nfs/dbraw/zinc/01/85/31/571018531.db2.gz ONBOAKQQZWFVOB-SFHVURJKSA-N 0 3 389.393 2.038 50 0 GEAAHN Cc1c(CN2CCC[C@@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cnn1C ZINC000091907437 571035744 /nfs/dbraw/zinc/03/57/44/571035744.db2.gz XFQOOJDMENRGEY-OAQYLSRUSA-N 0 3 382.512 2.232 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)C[C@@H]1CO ZINC000091973998 571038551 /nfs/dbraw/zinc/03/85/51/571038551.db2.gz XPFNQUUETHZABT-CHWSQXEVSA-N 0 3 375.296 2.252 50 0 GEAAHN CN1CCN(CCCC(=O)c2ccc(F)cc2)C[C@]12CCC(=O)N(C)CC2 ZINC000092037565 571042135 /nfs/dbraw/zinc/04/21/35/571042135.db2.gz LMAIHIOXQRMBOE-OAQYLSRUSA-N 0 3 375.488 2.417 50 0 GEAAHN O=C(c1cnc(-c2cccnc2)nc1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000095359049 571054316 /nfs/dbraw/zinc/05/43/16/571054316.db2.gz KZDKKVLWPKPLKA-IBGZPJMESA-N 0 3 381.480 2.256 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CCCNC(C)=O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095388696 571071517 /nfs/dbraw/zinc/07/15/17/571071517.db2.gz RXZLQZJSNFPLKC-KSEOMHKRSA-N 0 3 385.508 2.000 50 0 GEAAHN COc1ccc(OC[C@@H](O)CN(C)C)c(CN2CCOC3(CCCC3)C2)c1 ZINC000095506280 571078825 /nfs/dbraw/zinc/07/88/25/571078825.db2.gz PLEHJRKJWUEOGY-SFHVURJKSA-N 0 3 378.513 2.142 50 0 GEAAHN COc1cccc(CN(C)CC2CCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000095506722 571079043 /nfs/dbraw/zinc/07/90/43/571079043.db2.gz MJLCPQPKIBVIKY-FQEVSTJZSA-N 0 3 392.540 2.389 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)C(=O)Nc1ccccc1)CC2 ZINC000095511428 571082579 /nfs/dbraw/zinc/08/25/79/571082579.db2.gz PLORKSIQERLALP-UHFFFAOYSA-N 0 3 381.480 2.134 50 0 GEAAHN Cc1ncc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)c(C)n1 ZINC000095512954 571083067 /nfs/dbraw/zinc/08/30/67/571083067.db2.gz ZYOUYUBJDBPUDH-UHFFFAOYSA-N 0 3 382.512 2.462 50 0 GEAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)[C@H](C)Cn1cccn1)CC2 ZINC000095523743 571089309 /nfs/dbraw/zinc/08/93/09/571089309.db2.gz YLLFTTVRTLELFW-QGZVFWFLSA-N 0 3 384.528 2.274 50 0 GEAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000095525368 571090040 /nfs/dbraw/zinc/09/00/40/571090040.db2.gz GWEBALYCHYJJKJ-KRWDZBQOSA-N 0 3 394.516 2.134 50 0 GEAAHN OCCN1CCN(C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000095532326 571093646 /nfs/dbraw/zinc/09/36/46/571093646.db2.gz MHFMHHVFODEDBB-UHFFFAOYSA-N 0 3 382.346 2.023 50 0 GEAAHN COCc1cc(CNC(=O)N2CCCN(Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000426589949 231243630 /nfs/dbraw/zinc/24/36/30/231243630.db2.gz ITLJOISGMLSRHM-UHFFFAOYSA-N 0 3 375.448 2.113 50 0 GEAAHN Cc1c2[nH]cnc2cc(NC(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)c1C ZINC000426697581 231253565 /nfs/dbraw/zinc/25/35/65/231253565.db2.gz SOPRHYSULJEVGB-OAHLLOKOSA-N 0 3 386.500 2.244 50 0 GEAAHN Cc1c2nc[nH]c2cc(NC(=O)NCC[C@H]2CCC(=O)N2CCN(C)C)c1C ZINC000426697581 231253567 /nfs/dbraw/zinc/25/35/67/231253567.db2.gz SOPRHYSULJEVGB-OAHLLOKOSA-N 0 3 386.500 2.244 50 0 GEAAHN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCN2CCC[C@H]2C1 ZINC000002775190 531506444 /nfs/dbraw/zinc/50/64/44/531506444.db2.gz YWHUAGBHVJOCRW-JTQLQIEISA-N 0 3 395.223 2.279 50 0 GEAAHN O=S(=O)(CCN1CCCN2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000247337596 532547883 /nfs/dbraw/zinc/54/78/83/532547883.db2.gz RFOJMHHZQPSJJB-HNNXBMFYSA-N 0 3 387.343 2.393 50 0 GEAAHN O[C@@H](CNCc1ccc2c(c1)OCO2)COc1ccc(-c2csnn2)cc1 ZINC000004324900 204039452 /nfs/dbraw/zinc/03/94/52/204039452.db2.gz STZYFNOVOGEQFS-HNNXBMFYSA-N 0 3 385.445 2.463 50 0 GEAAHN COc1cccc(CCN[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000004865635 204084200 /nfs/dbraw/zinc/08/42/00/204084200.db2.gz UOZYLBUJJCQOIK-LJQANCHMSA-N 0 3 381.432 2.118 50 0 GEAAHN CCN1CCN(C(=O)C2CCN(Cc3cccc(OC)c3OC)CC2)CC1 ZINC000006843146 204214494 /nfs/dbraw/zinc/21/44/94/204214494.db2.gz WODUITHSECVQEF-UHFFFAOYSA-N 0 3 375.513 2.080 50 0 GEAAHN COc1cc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc(OC)c1 ZINC000009874667 204325821 /nfs/dbraw/zinc/32/58/21/204325821.db2.gz CSHJIOVBXQKKJZ-UHFFFAOYSA-N 0 3 390.484 2.042 50 0 GEAAHN COc1cccc(-n2c(CNC(=O)C3CCC3)nnc2SCCN(C)C)c1 ZINC000011786456 204353320 /nfs/dbraw/zinc/35/33/20/204353320.db2.gz MLWOREFCYFXTMO-UHFFFAOYSA-N 0 3 389.525 2.346 50 0 GEAAHN COc1ccc(CN(C)CCn2cc(C(=O)NCc3ccncc3)nn2)cc1C ZINC000012243521 204386073 /nfs/dbraw/zinc/38/60/73/204386073.db2.gz IGQJJHZEWLWSES-UHFFFAOYSA-N 0 3 394.479 2.052 50 0 GEAAHN Cc1ccnc(S[C@@H]2C[C@@H](C(=O)NCCN(C)C)N(Cc3ccccc3)C2)n1 ZINC000012245747 204386991 /nfs/dbraw/zinc/38/69/91/204386991.db2.gz IOVVIPVHJCUJKI-MOPGFXCFSA-N 0 3 399.564 2.198 50 0 GEAAHN CC(=O)Nc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1 ZINC000012306919 204393316 /nfs/dbraw/zinc/39/33/16/204393316.db2.gz IGOYLCXOPGDTON-FGZHOGPDSA-N 0 3 382.508 2.150 50 0 GEAAHN COCc1cc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)ccc1OC ZINC000012305578 204394200 /nfs/dbraw/zinc/39/42/00/204394200.db2.gz LEJMZTTWWDKFSC-FGZHOGPDSA-N 0 3 399.535 2.346 50 0 GEAAHN Cc1ccc(C)c(CN(CCN2CCOCC2)C[C@@H](O)COCC(C)C)c1 ZINC000036103810 205006147 /nfs/dbraw/zinc/00/61/47/205006147.db2.gz LHLRGDTYBCIGNR-JOCHJYFZSA-N 0 3 378.557 2.471 50 0 GEAAHN CC(C)=CCN1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@H]1CCO ZINC000039447014 205043535 /nfs/dbraw/zinc/04/35/35/205043535.db2.gz WYUSGFQSHRDJFZ-OAQYLSRUSA-N 0 3 398.551 2.319 50 0 GEAAHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000040106415 205053279 /nfs/dbraw/zinc/05/32/79/205053279.db2.gz VEVNPUHYPNRCGT-LRDDRELGSA-N 0 3 396.440 2.079 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C ZINC000040285116 205060916 /nfs/dbraw/zinc/06/09/16/205060916.db2.gz VTHCNPQNCTYXRE-LBPRGKRZSA-N 0 3 397.401 2.131 50 0 GEAAHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)S(=O)(=O)Cc2cc(C)on2)c1 ZINC000046155264 205106989 /nfs/dbraw/zinc/10/69/89/205106989.db2.gz LFBPJRNXFWVVFU-CHWSQXEVSA-N 0 3 396.465 2.181 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1NC(C)=O ZINC000047406824 205109409 /nfs/dbraw/zinc/10/94/09/205109409.db2.gz PTFMRPIZSAUUFB-HUUCEWRRSA-N 0 3 397.541 2.300 50 0 GEAAHN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1ccccc1F ZINC000049551843 205127763 /nfs/dbraw/zinc/12/77/63/205127763.db2.gz NIGDJSVAVSNYCW-LLVKDONJSA-N 0 3 388.399 2.436 50 0 GEAAHN O=C([C@@H]1CCCN(c2nnc3ccccn32)C1)N1CCN(C2CCCCC2)CC1 ZINC000065312224 205229391 /nfs/dbraw/zinc/22/93/91/205229391.db2.gz WPWGRUSMGYAFLU-GOSISDBHSA-N 0 3 396.539 2.423 50 0 GEAAHN CN1CCC(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)CC1 ZINC000065363114 205232834 /nfs/dbraw/zinc/23/28/34/205232834.db2.gz FUCZUALNMUZSIL-UHFFFAOYSA-N 0 3 387.505 2.339 50 0 GEAAHN CN(C)CCN1C[C@@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC000067654512 205252472 /nfs/dbraw/zinc/25/24/72/205252472.db2.gz VGHFBTPWGLJWGX-HNNXBMFYSA-N 0 3 385.430 2.164 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@](O)(CNC3(C(N)=O)CCCC3)C2=O)cc1 ZINC000067754696 205258330 /nfs/dbraw/zinc/25/83/30/205258330.db2.gz WSAKQAIRUZQZJX-QFIPXVFZSA-N 0 3 387.524 2.051 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)N3CC(N4CCCC[C@H]4C)C3)cnn2c1 ZINC000067756931 205258798 /nfs/dbraw/zinc/25/87/98/205258798.db2.gz MEHNKNVVYNWUHG-MRXNPFEDSA-N 0 3 384.528 2.270 50 0 GEAAHN O=C(N[C@H]1CN[C@H](C(=O)NCc2cccc3[nH]ccc32)C1)c1ccc(F)cc1F ZINC000067804452 205261018 /nfs/dbraw/zinc/26/10/18/205261018.db2.gz QCICMDRAYKTHQF-KUHUBIRLSA-N 0 3 398.413 2.223 50 0 GEAAHN CC(C)[C@@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000067868438 205265076 /nfs/dbraw/zinc/26/50/76/205265076.db2.gz IDICVGHHQLWKIG-GOSISDBHSA-N 0 3 387.459 2.421 50 0 GEAAHN COc1cccc(CN2CCC[C@](O)(CNCc3ccsc3)C2=O)c1OC ZINC000067946181 205267809 /nfs/dbraw/zinc/26/78/09/205267809.db2.gz AZFOGISAOKAOHP-FQEVSTJZSA-N 0 3 390.505 2.409 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@@](O)(CNCc3ccc[nH]c3=O)C2=O)cc1 ZINC000067433231 205246452 /nfs/dbraw/zinc/24/64/52/205246452.db2.gz CIRCTOFXWDIHEX-JOCHJYFZSA-N 0 3 383.492 2.142 50 0 GEAAHN COc1cccc([C@@H]2CN(C(=O)c3ccc[nH]c3=O)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000071754599 205291387 /nfs/dbraw/zinc/29/13/87/205291387.db2.gz VUDKYIFZQDIOBW-XUVXKRRUSA-N 0 3 379.460 2.086 50 0 GEAAHN CN(C(=O)c1cnc2c(c1)nnn2C)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000072448351 205352640 /nfs/dbraw/zinc/35/26/40/205352640.db2.gz SSFGOOSMCXFWSD-SFHVURJKSA-N 0 3 378.480 2.142 50 0 GEAAHN Cc1c(C(=O)N[C@H]2CCCN(C3Cc4ccccc4C3)C2)cnc2ccnn21 ZINC000072426514 205348974 /nfs/dbraw/zinc/34/89/74/205348974.db2.gz OGZDWXZRFUNKGY-SFHVURJKSA-N 0 3 375.476 2.399 50 0 GEAAHN CN(C)CCN1C[C@]2(CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1=O ZINC000082133978 205387200 /nfs/dbraw/zinc/38/72/00/205387200.db2.gz LCBJAVMIRCMZGN-OAQYLSRUSA-N 0 3 375.488 2.161 50 0 GEAAHN CCc1ccc([C@@H](CNC(=O)Cn2c(=O)cnc3ccccc32)N(C)C)cc1 ZINC000032733583 206090721 /nfs/dbraw/zinc/09/07/21/206090721.db2.gz IBRAIVROOCJOAM-HXUWFJFHSA-N 0 3 378.476 2.378 50 0 GEAAHN C[C@H](Oc1nn(-c2ccccc2)cc1Br)C(=O)NCCN(C)C ZINC000227153448 206100870 /nfs/dbraw/zinc/10/08/70/206100870.db2.gz NCGVZLKLONIZHT-LBPRGKRZSA-N 0 3 381.274 2.080 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2cnccn2)C1 ZINC000040063233 132393501 /nfs/dbraw/zinc/39/35/01/132393501.db2.gz VICCOAZGSXMTFB-LJQANCHMSA-N 0 3 379.508 2.474 50 0 GEAAHN Cn1ncc2c1nc(C1CCCC1)nc2N1CCN(CC2CC2)[C@@H](CCO)C1 ZINC000106976078 136191708 /nfs/dbraw/zinc/19/17/08/136191708.db2.gz VRRKWDYVNMVOGR-KRWDZBQOSA-N 0 3 384.528 2.304 50 0 GEAAHN Cc1cnc(C)c(N2CCN(C(=O)[C@@H]3CCCN3Cc3ccccc3)CC2)n1 ZINC000219527427 136204214 /nfs/dbraw/zinc/20/42/14/136204214.db2.gz NKNRXVOLEPGUOV-FQEVSTJZSA-N 0 3 379.508 2.407 50 0 GEAAHN COc1ccccc1CCNC(=O)N1CCC([C@H](C)N2CCOCC2)CC1 ZINC000426658590 534040957 /nfs/dbraw/zinc/04/09/57/534040957.db2.gz WLSWAQGMCXHRBJ-KRWDZBQOSA-N 0 3 375.513 2.380 50 0 GEAAHN O=C(NCCOCCO)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000426395959 534376258 /nfs/dbraw/zinc/37/62/58/534376258.db2.gz OAGMGZCGSJFXAQ-NRFANRHFSA-N 0 3 375.513 2.083 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc(C)n1 ZINC000065364628 535522134 /nfs/dbraw/zinc/52/21/34/535522134.db2.gz BHOHELLMQFPPOM-UHFFFAOYSA-N 0 3 395.916 2.381 50 0 GEAAHN CCOc1ccc(NC(=O)c2cnc(N3CCN(CC(C)C)CC3)nc2N)cc1 ZINC000071772251 535749616 /nfs/dbraw/zinc/74/96/16/535749616.db2.gz WKVRUQRZVGIZHZ-UHFFFAOYSA-N 0 3 398.511 2.488 50 0 GEAAHN CCn1nc(C)c(NC(=O)CNC2CCN(c3ccc(Cl)nn3)CC2)c1C ZINC000065383192 536140473 /nfs/dbraw/zinc/14/04/73/536140473.db2.gz OQMCQCMRJUXGAA-UHFFFAOYSA-N 0 3 391.907 2.160 50 0 GEAAHN CCn1c(CN(C)C)nnc1C1CCN(C(=O)CN2CCCCCCC2)CC1 ZINC000096148951 570214548 /nfs/dbraw/zinc/21/45/48/570214548.db2.gz KXZPPJVKFWQFHX-UHFFFAOYSA-N 0 3 390.576 2.332 50 0 GEAAHN COc1cccc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)c1 ZINC000096161730 570216702 /nfs/dbraw/zinc/21/67/02/570216702.db2.gz VKCBLVVLSPHSEL-UHFFFAOYSA-N 0 3 385.512 2.036 50 0 GEAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OCC(N)=O)c(OC)c1 ZINC000019874225 570227061 /nfs/dbraw/zinc/22/70/61/570227061.db2.gz LCVUXQCPBUPIAE-FQEVSTJZSA-N 0 3 381.432 2.284 50 0 GEAAHN CO[C@H]1CN(C(C)C)C[C@@H]1NC(=O)Nc1ccc(-n2cncn2)c(Cl)c1 ZINC000097137920 570237433 /nfs/dbraw/zinc/23/74/33/570237433.db2.gz RFNLHLJIIRGIAP-HOCLYGCPSA-N 0 3 378.864 2.150 50 0 GEAAHN Cc1ccc(CN2CCC(n3cc(CN4CCC(O)CC4)nn3)CC2)s1 ZINC000020232101 570249078 /nfs/dbraw/zinc/24/90/78/570249078.db2.gz QQOHITJJIJYBHC-UHFFFAOYSA-N 0 3 375.542 2.442 50 0 GEAAHN COCCN1CC[C@@H](CNC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000068545824 570253259 /nfs/dbraw/zinc/25/32/59/570253259.db2.gz IYYFJWQXYRWFGU-KRWDZBQOSA-N 0 3 388.512 2.403 50 0 GEAAHN CN1CCN(C2(CNC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CCCCC2)CC1 ZINC000020412648 570254811 /nfs/dbraw/zinc/25/48/11/570254811.db2.gz GGVIQCRHQGEBKH-LJQANCHMSA-N 0 3 398.551 2.106 50 0 GEAAHN O=C(NCCN1CCC[C@H](c2ccccc2)C1)c1cccc(-n2cnnc2)n1 ZINC000097797245 570256407 /nfs/dbraw/zinc/25/64/07/570256407.db2.gz LNVBJTLYGTUCNV-SFHVURJKSA-N 0 3 376.464 2.272 50 0 GEAAHN CC(C)CCN1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@H]1CCO ZINC000104633575 570260603 /nfs/dbraw/zinc/26/06/03/570260603.db2.gz JBGRPYBKXOBVHN-LJQANCHMSA-N 0 3 386.540 2.041 50 0 GEAAHN Cc1occc1C(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000020995768 570286472 /nfs/dbraw/zinc/28/64/72/570286472.db2.gz VDXAQBJRTIQUDJ-FGZHOGPDSA-N 0 3 397.519 2.024 50 0 GEAAHN CN(C)CCNC(=O)c1cccc(CN2CCN(c3ccccc3F)CC2)c1 ZINC000034668418 570292931 /nfs/dbraw/zinc/29/29/31/570292931.db2.gz BONNVGDUHZNLMZ-UHFFFAOYSA-N 0 3 384.499 2.439 50 0 GEAAHN C[C@@H](C(=O)NCCN1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684663 570301900 /nfs/dbraw/zinc/30/19/00/570301900.db2.gz AAVCRWMJOYELBK-KRWDZBQOSA-N 0 3 378.948 2.453 50 0 GEAAHN CC1(C)Cc2cccc(OCC(=O)NCC3CCN([C@H]4CCOC4)CC3)c2O1 ZINC000575605179 570328896 /nfs/dbraw/zinc/32/88/96/570328896.db2.gz AKSNHLHIUZBSFT-SFHVURJKSA-N 0 3 388.508 2.396 50 0 GEAAHN Cn1cc(CN2CCC[C@@H](c3nncn3C)C2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000023251260 570352562 /nfs/dbraw/zinc/35/25/62/570352562.db2.gz NICBBSRWXKIYCO-MRXNPFEDSA-N 0 3 394.479 2.366 50 0 GEAAHN COc1ccccc1/C=C1\Oc2ccc(C(=O)NCCN(C)C)cc2NC1=O ZINC000032983676 570398424 /nfs/dbraw/zinc/39/84/24/570398424.db2.gz NHTSJHNUPSPOBW-UYRXBGFRSA-N 0 3 381.432 2.359 50 0 GEAAHN Cn1c2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000025003848 570403041 /nfs/dbraw/zinc/40/30/41/570403041.db2.gz QJYJVZSQJCPVDX-UHFFFAOYSA-N 0 3 378.476 2.121 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN(c2ncccn2)C1 ZINC000027601052 570437398 /nfs/dbraw/zinc/43/73/98/570437398.db2.gz DBMONWJLEUMSGD-LJQANCHMSA-N 0 3 379.508 2.474 50 0 GEAAHN CN(C)CCn1c(=O)nc(SCC(=O)Nc2ccccc2)c2c1CCCC2 ZINC000005254414 570530049 /nfs/dbraw/zinc/53/00/49/570530049.db2.gz JNADQMARZLKMOB-UHFFFAOYSA-N 0 3 386.521 2.415 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CN2CCCC2=O)C1 ZINC000012574068 570681966 /nfs/dbraw/zinc/68/19/66/570681966.db2.gz MSVDBHLZJQSTHV-GOSISDBHSA-N 0 3 387.524 2.031 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000013691983 570776008 /nfs/dbraw/zinc/77/60/08/570776008.db2.gz LQEAKOWYILLXCK-MRXNPFEDSA-N 0 3 398.507 2.102 50 0 GEAAHN COc1ccc(CNC(=O)[C@@H]2CNC[C@H](C(=O)Nc3ccc(F)cc3)C2)cc1 ZINC000014540318 570849179 /nfs/dbraw/zinc/84/91/79/570849179.db2.gz XHFIOXGURWFXLH-JKSUJKDBSA-N 0 3 385.439 2.315 50 0 GEAAHN COc1cc(OC)cc(C(=O)NC[C@H]2CCCN(Cc3cnn(C)c3C)C2)c1 ZINC000014958307 570866071 /nfs/dbraw/zinc/86/60/71/570866071.db2.gz SLFQURHBMMFYMB-MRXNPFEDSA-N 0 3 386.496 2.388 50 0 GEAAHN O[C@H](COc1ccccc1CNCCc1ccccn1)CN1CCSCC1 ZINC000015073359 570877840 /nfs/dbraw/zinc/87/78/40/570877840.db2.gz MMUKRQHMMBDUKP-FQEVSTJZSA-N 0 3 387.549 2.202 50 0 GEAAHN Cc1ccc(NC(=O)Nc2ccccc2)c(=O)n1CC(=O)NCCN1CCCC1 ZINC000097151785 570900199 /nfs/dbraw/zinc/90/01/99/570900199.db2.gz BKDUXROTQYNZTO-UHFFFAOYSA-N 0 3 397.479 2.013 50 0 GEAAHN O=C([C@@H]1CCCN1C1CCOCC1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000089800219 570915363 /nfs/dbraw/zinc/91/53/63/570915363.db2.gz GCHSEPBHMGRTNG-FQEVSTJZSA-N 0 3 399.491 2.171 50 0 GEAAHN CCOC(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000032933168 570945875 /nfs/dbraw/zinc/94/58/75/570945875.db2.gz SZFJBZPIKLSQEN-KRWDZBQOSA-N 0 3 377.460 2.338 50 0 GEAAHN O=C(NCCN1CCCC1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2 ZINC000263618400 570955662 /nfs/dbraw/zinc/95/56/62/570955662.db2.gz SUTRMPNDWNFKGX-UHFFFAOYSA-N 0 3 393.487 2.433 50 0 GEAAHN Cc1cc(NC(=O)c2cn([C@@H]3CCOC3)nn2)ccc1OCCN1CCCC1 ZINC000252507288 570978378 /nfs/dbraw/zinc/97/83/78/570978378.db2.gz WFZKZYBZGNITAA-QGZVFWFLSA-N 0 3 385.468 2.275 50 0 GEAAHN OCCC[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)s2)CC[C@@H]1N1CCOCC1 ZINC000091320790 571003565 /nfs/dbraw/zinc/00/35/65/571003565.db2.gz JHENBFTXRVHWPB-APWZRJJASA-N 0 3 390.553 2.433 50 0 GEAAHN Cc1nn(C)c(C)c1CN1CCC2(CC1)c1nc[nH]c1CCN2C(=O)C1CC1 ZINC000091604058 571017735 /nfs/dbraw/zinc/01/77/35/571017735.db2.gz BBGTWEVINPPGTC-UHFFFAOYSA-N 0 3 382.512 2.046 50 0 GEAAHN Cc1nn(C)c(C)c1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000091604058 571017737 /nfs/dbraw/zinc/01/77/37/571017737.db2.gz BBGTWEVINPPGTC-UHFFFAOYSA-N 0 3 382.512 2.046 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2sc3ccccc3c2C)C[C@@H]1CO ZINC000091770611 571030280 /nfs/dbraw/zinc/03/02/80/571030280.db2.gz HGXCLYXRMRATGQ-HZPDHXFCSA-N 0 3 376.522 2.468 50 0 GEAAHN O=C1CCC2(CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)CN1CCO ZINC000091950606 571037583 /nfs/dbraw/zinc/03/75/83/571037583.db2.gz JNSBFFSQQUGZRP-UHFFFAOYSA-N 0 3 386.471 2.208 50 0 GEAAHN OC[C@H]1CN(c2ccc3cccc(Cl)c3n2)C[C@H]1CN1CCC(O)CC1 ZINC000095353716 571051117 /nfs/dbraw/zinc/05/11/17/571051117.db2.gz FOZXXCWGGWQOKN-HZPDHXFCSA-N 0 3 375.900 2.390 50 0 GEAAHN CN1CCN(C[C@@H]2CN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2CO)CC1 ZINC000095360141 571054636 /nfs/dbraw/zinc/05/46/36/571054636.db2.gz AQDDJMPKXOFLSX-RTBURBONSA-N 0 3 386.565 2.098 50 0 GEAAHN Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(Cc2cc(C(C)(C)C)[nH]n2)C1 ZINC000095369052 571060024 /nfs/dbraw/zinc/06/00/24/571060024.db2.gz FRKNTZMJVOOPLQ-HNNXBMFYSA-N 0 3 382.516 2.460 50 0 GEAAHN CN1CCN(C[C@@H]2CN(Cc3cnc(-c4ccccc4)s3)C[C@@H]2CO)CC1 ZINC000095374328 571063140 /nfs/dbraw/zinc/06/31/40/571063140.db2.gz CYYKTQPIAAWDMG-RTBURBONSA-N 0 3 386.565 2.098 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)Cn3ccc(C)n3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095374296 571063314 /nfs/dbraw/zinc/06/33/14/571063314.db2.gz VHOIQEKYSUNCBA-KSEOMHKRSA-N 0 3 380.492 2.289 50 0 GEAAHN Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)[n-]1 ZINC000095375600 571064164 /nfs/dbraw/zinc/06/41/64/571064164.db2.gz ZRBMPEYLQMEWCU-QFBILLFUSA-N 0 3 379.508 2.136 50 0 GEAAHN Cc1nnc(CCC(=O)N2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)[n-]1 ZINC000095375600 571064166 /nfs/dbraw/zinc/06/41/66/571064166.db2.gz ZRBMPEYLQMEWCU-QFBILLFUSA-N 0 3 379.508 2.136 50 0 GEAAHN C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCNCC2)c1)c1ccccc1 ZINC000095376808 571064842 /nfs/dbraw/zinc/06/48/42/571064842.db2.gz CCRRMVWHFXDVQR-INIZCTEOSA-N 0 3 387.505 2.162 50 0 GEAAHN Cc1cccc2nc(C(=O)N3CCC[C@@H](c4nccn4CCN(C)C)C3)cn21 ZINC000095497323 571074530 /nfs/dbraw/zinc/07/45/30/571074530.db2.gz PCNSSABKXQDEIJ-QGZVFWFLSA-N 0 3 380.496 2.421 50 0 GEAAHN CCCN(Cc1ccc(OC)cc1)C(=O)CN1CC2(CC1=O)CCN(C)CC2 ZINC000095500663 571076236 /nfs/dbraw/zinc/07/62/36/571076236.db2.gz XAHCOEHCISPFPH-UHFFFAOYSA-N 0 3 387.524 2.378 50 0 GEAAHN CN(CCSc1ccccc1)C(=O)CN1CC2(CC1=O)CCN(C)CC2 ZINC000095510919 571082026 /nfs/dbraw/zinc/08/20/26/571082026.db2.gz CAPNGILALUCTCO-UHFFFAOYSA-N 0 3 375.538 2.181 50 0 GEAAHN O[C@@H](COc1ccccc1CN1CCC(O)CC1)CN1CCc2ccccc2C1 ZINC000095521058 571087075 /nfs/dbraw/zinc/08/70/75/571087075.db2.gz GYNYSFKWAORVLA-HSZRJFAPSA-N 0 3 396.531 2.441 50 0 GEAAHN COc1cc(CN2CCC(C)(C)CC2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095525986 571090817 /nfs/dbraw/zinc/09/08/17/571090817.db2.gz MEIXDVXUJLUUMM-LJQANCHMSA-N 0 3 392.540 2.389 50 0 GEAAHN COc1cc(CN2CCCCC23CC3)ccc1OC[C@H](O)CN1CCOCC1 ZINC000095529537 571092254 /nfs/dbraw/zinc/09/22/54/571092254.db2.gz BIMSOTOFENCQBJ-LJQANCHMSA-N 0 3 390.524 2.286 50 0 GEAAHN NS(=O)(=O)c1ccc(NC(=O)CCN(Cc2cccs2)C2CC2)cc1 ZINC000025953173 531615941 /nfs/dbraw/zinc/61/59/41/531615941.db2.gz PHLLVIIWZXEHAC-UHFFFAOYSA-N 0 3 379.507 2.389 50 0 GEAAHN C[NH2+]C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000237065129 532503765 /nfs/dbraw/zinc/50/37/65/532503765.db2.gz FFTZKENPQZRINI-LLVKDONJSA-N 0 3 378.270 2.362 50 0 GEAAHN COc1ccc(C(OC[C@H](O)CN(C)CCO)c2ccc(OC)cc2)cc1 ZINC000007015471 204230078 /nfs/dbraw/zinc/23/00/78/204230078.db2.gz ZZYKILNHSAZQSN-GOSISDBHSA-N 0 3 375.465 2.095 50 0 GEAAHN COc1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(OC)c1 ZINC000009874762 204326086 /nfs/dbraw/zinc/32/60/86/204326086.db2.gz YUKOVWNOJYMXSW-UHFFFAOYSA-N 0 3 390.484 2.042 50 0 GEAAHN COc1cc(C(=O)NCCCn2ccnc2C)ccc1OC1CCN(C)CC1 ZINC000011819610 204356487 /nfs/dbraw/zinc/35/64/87/204356487.db2.gz YEGFGGQQQLTRSA-UHFFFAOYSA-N 0 3 386.496 2.493 50 0 GEAAHN CCN(CC)CC(=O)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012076346 204370302 /nfs/dbraw/zinc/37/03/02/204370302.db2.gz 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2.271 50 0 GEAAHN C[C@H](C(=O)NCCN1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000034684664 570301825 /nfs/dbraw/zinc/30/18/25/570301825.db2.gz AAVCRWMJOYELBK-QGZVFWFLSA-N 0 3 378.948 2.453 50 0 GEAAHN CCN1CCC(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022992022 570339877 /nfs/dbraw/zinc/33/98/77/570339877.db2.gz WZDPNNJXFZJSDT-IBGZPJMESA-N 0 3 395.569 2.289 50 0 GEAAHN CN(C)Cc1ccccc1CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O ZINC000024084866 570345171 /nfs/dbraw/zinc/34/51/71/570345171.db2.gz SCYRJSUYPZSRDY-UHFFFAOYSA-N 0 3 386.496 2.009 50 0 GEAAHN CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 ZINC000024896210 570397922 /nfs/dbraw/zinc/39/79/22/570397922.db2.gz IIDUPBIQQYIRPR-UHFFFAOYSA-N 0 3 387.480 2.183 50 0 GEAAHN COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCN(C)C)cc1OC ZINC000033794286 570419524 /nfs/dbraw/zinc/41/95/24/570419524.db2.gz JJQOQXZRXIAYHX-NBVRZTHBSA-N 0 3 397.475 2.153 50 0 GEAAHN C[C@H](N(C)CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C ZINC000027132072 570431939 /nfs/dbraw/zinc/43/19/39/570431939.db2.gz BHPIWKRYMMQGGS-HNNXBMFYSA-N 0 3 397.541 2.012 50 0 GEAAHN CCc1ccc(CNC(=O)C(=O)Nc2ccnn2C2CCN(CC)CC2)s1 ZINC000089286813 570440406 /nfs/dbraw/zinc/44/04/06/570440406.db2.gz XEKOBJCKMDFVFS-UHFFFAOYSA-N 0 3 389.525 2.419 50 0 GEAAHN O=C(Cn1ncc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000028272752 570453720 /nfs/dbraw/zinc/45/37/20/570453720.db2.gz TZEMXUGUVOCIPY-UHFFFAOYSA-N 0 3 376.460 2.177 50 0 GEAAHN CC[C@@H](CNC(=O)c1ccc(CNC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000029908916 570482507 /nfs/dbraw/zinc/48/25/07/570482507.db2.gz FAPYGUTVZUYDBG-FQEVSTJZSA-N 0 3 380.492 2.422 50 0 GEAAHN COC(=O)c1ccc(CN(C)C(=O)C(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000072295282 570502681 /nfs/dbraw/zinc/50/26/81/570502681.db2.gz LOQWBGSEILGTCV-GOSISDBHSA-N 0 3 389.473 2.088 50 0 GEAAHN CN1CCN(C[C@H]2CCCN(C(=O)NCCSc3ccccc3)C2)CC1 ZINC000362953814 570548028 /nfs/dbraw/zinc/54/80/28/570548028.db2.gz ZKTAIMVDYNPUAP-GOSISDBHSA-N 0 3 376.570 2.448 50 0 GEAAHN O=C(CCCc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCC1 ZINC000032995312 570577350 /nfs/dbraw/zinc/57/73/50/570577350.db2.gz PSZSSJFXWRQGDR-UHFFFAOYSA-N 0 3 387.509 2.325 50 0 GEAAHN O=C(Nc1ccnn1C1CCN(Cc2cccc(OCCO)c2)CC1)C1CC1 ZINC000012385958 570650817 /nfs/dbraw/zinc/65/08/17/570650817.db2.gz YNPUGLDUJCASHW-UHFFFAOYSA-N 0 3 384.480 2.440 50 0 GEAAHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@H](O)c1ccc(F)cc1 ZINC000236607801 570657141 /nfs/dbraw/zinc/65/71/41/570657141.db2.gz MOAJXXXJLIWQMS-SFHVURJKSA-N 0 3 376.476 2.342 50 0 GEAAHN CCN(C[C@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)Cn1cncn1 ZINC000012429655 570658026 /nfs/dbraw/zinc/65/80/26/570658026.db2.gz DYFITAORLABQNF-IBGZPJMESA-N 0 3 385.512 2.090 50 0 GEAAHN CN(C[C@@H]1CCCN1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012430315 570658620 /nfs/dbraw/zinc/65/86/20/570658620.db2.gz CEUBCYYHMCLPQC-INIZCTEOSA-N 0 3 396.451 2.001 50 0 GEAAHN CCOc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 ZINC000017317405 570704506 /nfs/dbraw/zinc/70/45/06/570704506.db2.gz JLHCDCYDZARGNN-UHFFFAOYSA-N 0 3 390.505 2.396 50 0 GEAAHN Cc1ccc(NC(=O)c2nnc(CCC(=O)NCCN3CCCC3)s2)cc1 ZINC000033062068 570748743 /nfs/dbraw/zinc/74/87/43/570748743.db2.gz NTPNCCZMRPHSMI-UHFFFAOYSA-N 0 3 387.509 2.243 50 0 GEAAHN O=C(NCCN1CCCC1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255800 570754180 /nfs/dbraw/zinc/75/41/80/570754180.db2.gz BZNNFAMVRDQXNB-FQEVSTJZSA-N 0 3 379.508 2.058 50 0 GEAAHN Oc1c2onc(-c3ccccc3Cl)c2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101360704 570820121 /nfs/dbraw/zinc/82/01/21/570820121.db2.gz RRTAEMJYPVNKDX-RDJZCZTQSA-N 0 3 384.775 2.404 50 0 GEAAHN CCS(=O)(=O)Nc1cccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012526145 570830906 /nfs/dbraw/zinc/83/09/06/570830906.db2.gz UOFUCXXIHMZEPR-IBGZPJMESA-N 0 3 387.505 2.453 50 0 GEAAHN COc1ccc(CNc2nn3c(nc(CN4CCC(C)CC4)cc3=O)[nH]2)cc1 ZINC000101796299 570834378 /nfs/dbraw/zinc/83/43/78/570834378.db2.gz JQFHKHGTQDGBKE-UHFFFAOYSA-N 0 3 382.468 2.270 50 0 GEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[NH+]2CCC(C)CC2)cc3=O)cc1 ZINC000101796299 570834381 /nfs/dbraw/zinc/83/43/81/570834381.db2.gz JQFHKHGTQDGBKE-UHFFFAOYSA-N 0 3 382.468 2.270 50 0 GEAAHN COc1ccc(CN2C(=O)N(C)C3(CCN([C@H]4CCSC4)CC3)C2=O)cc1 ZINC000014543224 570849291 /nfs/dbraw/zinc/84/92/91/570849291.db2.gz BBOHFJSXKGKFGI-INIZCTEOSA-N 0 3 389.521 2.429 50 0 GEAAHN CN1CCN(C(=O)CC[C@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064289 570875374 /nfs/dbraw/zinc/87/53/74/570875374.db2.gz IXEGGBQDPYIALR-MRXNPFEDSA-N 0 3 387.553 2.458 50 0 GEAAHN CN(C)[C@H]1CCN(C(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)C1 ZINC000015070287 570876615 /nfs/dbraw/zinc/87/66/15/570876615.db2.gz XAEYLPCOWSBARU-SFHVURJKSA-N 0 3 385.508 2.243 50 0 GEAAHN O=C(NC1CCN(Cc2cccc(O)c2)CC1)N1CCC(c2nnc[nH]2)CC1 ZINC000534582594 570903575 /nfs/dbraw/zinc/90/35/75/570903575.db2.gz ZLHPJNDKLGGFEW-UHFFFAOYSA-N 0 3 384.484 2.064 50 0 GEAAHN O=C(NC1CCN(Cc2cccc(O)c2)CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000534582594 570903580 /nfs/dbraw/zinc/90/35/80/570903580.db2.gz ZLHPJNDKLGGFEW-UHFFFAOYSA-N 0 3 384.484 2.064 50 0 GEAAHN C[C@@H](CCNC(=O)N(C)Cc1ccc(-n2cccn2)cc1)N1CCN(C)CC1 ZINC000534639314 570912836 /nfs/dbraw/zinc/91/28/36/570912836.db2.gz GAZNQVJLRQDULG-SFHVURJKSA-N 0 3 384.528 2.040 50 0 GEAAHN COC(=O)c1cn(C[C@@H](c2ccccc2F)N2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588736 570932903 /nfs/dbraw/zinc/93/29/03/570932903.db2.gz XWHXYBVOOTVSGW-KRWDZBQOSA-N 0 3 384.411 2.439 50 0 GEAAHN COc1cc2c(cc1OC)-c1cc(OCCN3CCCCC3)nc(=O)n1CC2 ZINC000002106246 570948278 /nfs/dbraw/zinc/94/82/78/570948278.db2.gz BFMCRDMUZOAUJR-UHFFFAOYSA-N 0 3 385.464 2.348 50 0 GEAAHN O[C@H]1[C@H](N2CCCOCC2)c2ccccc2C12CCN(c1ncccn1)CC2 ZINC000019144129 570958976 /nfs/dbraw/zinc/95/89/76/570958976.db2.gz JPPYEKLQDCTNCZ-UXHICEINSA-N 0 3 380.492 2.153 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000091289565 571002253 /nfs/dbraw/zinc/00/22/53/571002253.db2.gz RTZVFQSJNPZGAC-UHFFFAOYSA-N 0 3 382.512 2.128 50 0 GEAAHN CCOc1ccccc1OCCN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091305687 571003020 /nfs/dbraw/zinc/00/30/20/571003020.db2.gz RLIGNBONAKUDQB-NRFANRHFSA-N 0 3 375.513 2.093 50 0 GEAAHN O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)CN1C[C@@H]1CCCO1 ZINC000091350818 571004291 /nfs/dbraw/zinc/00/42/91/571004291.db2.gz CYRSKIIMHLOUSP-KRWDZBQOSA-N 0 3 380.920 2.420 50 0 GEAAHN CCCN1CCC[C@]2(CCN(Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000091535274 571012723 /nfs/dbraw/zinc/01/27/23/571012723.db2.gz UUVLDDFKBRDGGI-LJQANCHMSA-N 0 3 378.542 2.204 50 0 GEAAHN CN(C)CCN1C[C@H](C(=O)N(C)Cc2ccccc2C(F)(F)F)CCC1=O ZINC000091997584 571039511 /nfs/dbraw/zinc/03/95/11/571039511.db2.gz AZTDMVAAWDQTHV-OAHLLOKOSA-N 0 3 385.430 2.464 50 0 GEAAHN Cc1cc2c(cc1CN1CC[C@H](N3CCOCC3)[C@H](CCCO)C1)OCCO2 ZINC000092046355 571042625 /nfs/dbraw/zinc/04/26/25/571042625.db2.gz XAJSXOQNAUVCKE-QUCCMNQESA-N 0 3 390.524 2.061 50 0 GEAAHN Cc1cccc(CS(=O)(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1 ZINC000095361274 571055530 /nfs/dbraw/zinc/05/55/30/571055530.db2.gz QPUOUUXVSBHFNU-IBGZPJMESA-N 0 3 390.553 2.463 50 0 GEAAHN Cc1n[nH]c(CCC(=O)N2CCC[C@H](c3nccn3Cc3cccnc3)C2)n1 ZINC000095366718 571059038 /nfs/dbraw/zinc/05/90/38/571059038.db2.gz GHOYDFCJTKEHNC-KRWDZBQOSA-N 0 3 379.468 2.092 50 0 GEAAHN Cc1ccc(C2(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](CCCO)C3)CC2)cc1 ZINC000095375022 571063528 /nfs/dbraw/zinc/06/35/28/571063528.db2.gz GTGMKNBPXBJODA-IRLDBZIGSA-N 0 3 399.579 2.264 50 0 GEAAHN NC(=O)COc1cccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000095381856 571068223 /nfs/dbraw/zinc/06/82/23/571068223.db2.gz JGGHECBDRLYEDS-UYAOXDASSA-N 0 3 393.487 2.287 50 0 GEAAHN Cc1cc(C)n(CC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095388384 571071147 /nfs/dbraw/zinc/07/11/47/571071147.db2.gz DUOBDHXOWIRSGK-KSEOMHKRSA-N 0 3 380.492 2.294 50 0 GEAAHN C[C@H](NS(=O)(=O)c1cccc(C(=O)NCCN(C)C)c1)C1=CCCCC1 ZINC000095388673 571071722 /nfs/dbraw/zinc/07/17/22/571071722.db2.gz BXKINUOHSQCAHD-HNNXBMFYSA-N 0 3 379.526 2.145 50 0 GEAAHN Cc1n[nH]c(CCC(=O)N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095511510 571082654 /nfs/dbraw/zinc/08/26/54/571082654.db2.gz LOXAELZRKWSZBT-QGZVFWFLSA-N 0 3 379.468 2.092 50 0 GEAAHN O=C(C1CC1)N1CCc2[nH]cnc2C12CCN(C1CSCCSC1)CC2 ZINC000095517604 571084720 /nfs/dbraw/zinc/08/47/20/571084720.db2.gz JHCZQYDOAYMMMU-UHFFFAOYSA-N 0 3 392.594 2.344 50 0 GEAAHN Cc1cnccc1CN(C)Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)cc1 ZINC000095520435 571086435 /nfs/dbraw/zinc/08/64/35/571086435.db2.gz CWSRHUXPPPOHSZ-JOCHJYFZSA-N 0 3 398.551 2.009 50 0 GEAAHN O[C@H](COc1ccccc1CN1CCC(O)CC1)CN1CCc2ccccc2C1 ZINC000095521057 571087056 /nfs/dbraw/zinc/08/70/56/571087056.db2.gz GYNYSFKWAORVLA-QHCPKHFHSA-N 0 3 396.531 2.441 50 0 GEAAHN Cc1cc(N)n(CC(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095529835 571092483 /nfs/dbraw/zinc/09/24/83/571092483.db2.gz TWTDAERPALNEBP-VLCRHTCISA-N 0 3 379.508 2.171 50 0 GEAAHN O=C(c1cc2c(s1)CCNC2)N1CCNC(=O)[C@H]1c1ccccc1Cl ZINC000888101578 654066248 /nfs/dbraw/zinc/06/62/48/654066248.db2.gz JSVJIEATIOGVET-MRXNPFEDSA-N 0 3 375.881 2.361 50 0 GEAAHN C[C@H](Oc1ccccc1-c1ccc(C(=O)NCCN2CCCC2)cc1)C(N)=O ZINC000426369947 231209006 /nfs/dbraw/zinc/20/90/06/231209006.db2.gz NZGRXLXLMVDCLL-INIZCTEOSA-N 0 3 381.476 2.432 50 0 GEAAHN CN(C)c1ccc(CN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000426428369 529780471 /nfs/dbraw/zinc/78/04/71/529780471.db2.gz YYFMDNIWEGYFDE-GOSISDBHSA-N 0 3 383.544 2.252 50 0 GEAAHN COc1ccc(Br)cc1S(=O)(=O)NC[C@H](C)CN1CCCC1 ZINC000048290868 531728556 /nfs/dbraw/zinc/72/85/56/531728556.db2.gz QATDACRYKHHZFU-LBPRGKRZSA-N 0 3 391.331 2.468 50 0 GEAAHN Cn1c2ncn(CCN(Cc3ccccc3)Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000000640971 206310683 /nfs/dbraw/zinc/31/06/83/206310683.db2.gz XUVSWUUNYSIEFL-UHFFFAOYSA-N 0 3 389.459 2.126 50 0 GEAAHN Cn1c(=O)c2c(n(C)c1=O)NC(=O)CC2C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000008995243 206771796 /nfs/dbraw/zinc/77/17/96/206771796.db2.gz YBTKCVIILJFFEV-MRVPVSSYSA-N 0 3 397.218 2.105 50 0 GEAAHN COc1ccc([C@@H](CNC(=O)Cn2nnc3ccccc32)N2CCCC2)cc1 ZINC000012924909 206953893 /nfs/dbraw/zinc/95/38/93/206953893.db2.gz AAUBUDZNJXOKGF-HXUWFJFHSA-N 0 3 379.464 2.393 50 0 GEAAHN COc1ccc(CN2C(=O)N(C)C3(CCN([C@@H]4CCSC4)CC3)C2=O)cc1 ZINC000014543223 207023301 /nfs/dbraw/zinc/02/33/01/207023301.db2.gz BBOHFJSXKGKFGI-MRXNPFEDSA-N 0 3 389.521 2.429 50 0 GEAAHN COc1cccc(C(=O)NC[C@@H]2CCCN(Cc3cnn(C)c3C)C2)c1OC ZINC000014969635 207035552 /nfs/dbraw/zinc/03/55/52/207035552.db2.gz SJIBGQVGGSNEKQ-INIZCTEOSA-N 0 3 386.496 2.388 50 0 GEAAHN Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@H](NCc1cccnc1)C2 ZINC000014746924 207030259 /nfs/dbraw/zinc/03/02/59/207030259.db2.gz IHWDYMYVUXMZGS-HNNXBMFYSA-N 0 3 381.505 2.454 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000018136516 207093596 /nfs/dbraw/zinc/09/35/96/207093596.db2.gz OGKWNVDVICZWDW-SFHVURJKSA-N 0 3 384.407 2.467 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)N1CCCNCC1 ZINC000037465163 207088205 /nfs/dbraw/zinc/08/82/05/207088205.db2.gz NGIVCUSNTGROPG-UHFFFAOYSA-N 0 3 383.695 2.095 50 0 GEAAHN O=C(CCN1CCN(CCO)CC1)Nc1ccc(OCc2ccccc2)cc1 ZINC000019367676 207117543 /nfs/dbraw/zinc/11/75/43/207117543.db2.gz BLSNKMFNUHBVKM-UHFFFAOYSA-N 0 3 383.492 2.204 50 0 GEAAHN Cc1c2cccc(Cl)c2[nH]c1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 ZINC000019837683 207166557 /nfs/dbraw/zinc/16/65/57/207166557.db2.gz FRJMJLKNQGXMEM-RTBURBONSA-N 0 3 376.932 2.312 50 0 GEAAHN CCN1CCN(C2CCN(Cc3nc(-c4ccc(OC)cc4)no3)CC2)CC1 ZINC000019839024 207165614 /nfs/dbraw/zinc/16/56/14/207165614.db2.gz ZQZWJWYKZSLEMB-UHFFFAOYSA-N 0 3 385.512 2.347 50 0 GEAAHN CN1CCN(CCCNC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1 ZINC000020415962 207191634 /nfs/dbraw/zinc/19/16/34/207191634.db2.gz RWRGPAGUTMYIAM-UHFFFAOYSA-N 0 3 392.507 2.030 50 0 GEAAHN O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@@H](c1cccs1)N1CCCC1 ZINC000023174895 207271288 /nfs/dbraw/zinc/27/12/88/207271288.db2.gz ZZLAMYJCVCPEKL-KRWDZBQOSA-N 0 3 382.489 2.480 50 0 GEAAHN CN(Cc1ccccc1)C1(CNC(=O)CCn2cncn2)Cc2ccccc2C1 ZINC000023379625 207276963 /nfs/dbraw/zinc/27/69/63/207276963.db2.gz IEKKIDORSOIUQW-UHFFFAOYSA-N 0 3 389.503 2.454 50 0 GEAAHN CCOC(=O)c1c(C)oc2ncnc(NCCCN3CCN(CC)CC3)c21 ZINC000022937118 207265148 /nfs/dbraw/zinc/26/51/48/207265148.db2.gz DCWOJLLEKGLSNI-UHFFFAOYSA-N 0 3 375.473 2.147 50 0 GEAAHN COc1ccc(OCCN2CCN(C(=O)c3[nH]nc4ccccc43)CC2)cc1 ZINC000023641555 207280177 /nfs/dbraw/zinc/28/01/77/207280177.db2.gz PIONCKJFWXPVIB-UHFFFAOYSA-N 0 3 380.448 2.408 50 0 GEAAHN COc1ccc(OC[C@@H](O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000025305164 207302353 /nfs/dbraw/zinc/30/23/53/207302353.db2.gz SCPQKJOSGVDGIN-IBGZPJMESA-N 0 3 384.476 2.329 50 0 GEAAHN CC[C@H](CO)NCc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000032616896 207399705 /nfs/dbraw/zinc/39/97/05/207399705.db2.gz MGGANXBBFUOLGY-QGZVFWFLSA-N 0 3 399.491 2.325 50 0 GEAAHN CCN1CCC[C@@H]1CN1Cc2c(cccc2C(=O)N(C)Cc2cc[nH]n2)C1=O ZINC000072435863 208024771 /nfs/dbraw/zinc/02/47/71/208024771.db2.gz HHTCFAMSXOWSBO-MRXNPFEDSA-N 0 3 381.480 2.122 50 0 GEAAHN COc1cccc(OC)c1C(=O)N1CCC([C@H](C)N2CCN(C)CC2)CC1 ZINC000077407253 208045132 /nfs/dbraw/zinc/04/51/32/208045132.db2.gz DLRHOTUDNKBWGR-INIZCTEOSA-N 0 3 375.513 2.192 50 0 GEAAHN CN1CCN(Cc2cncn2Cc2ccccc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000091593391 208124626 /nfs/dbraw/zinc/12/46/26/208124626.db2.gz UWVUMSIBCGQDRB-QFIPXVFZSA-N 0 3 381.524 2.060 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)Cc2coc3cc(C)cc(C)c23)C[C@@H]1CO ZINC000091643675 208128329 /nfs/dbraw/zinc/12/83/29/208128329.db2.gz RCEKRKDJCPHTJX-RTBURBONSA-N 0 3 388.508 2.237 50 0 GEAAHN C[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1)N1CCCC1 ZINC000091656174 208128774 /nfs/dbraw/zinc/12/87/74/208128774.db2.gz OYIBLBJTALXTMU-SFHVURJKSA-N 0 3 384.524 2.297 50 0 GEAAHN Cc1ccc(-c2cc(C(=O)N3CCC(N(C)CC(=O)NC(C)C)CC3)[nH]n2)cc1 ZINC000089640976 208106829 /nfs/dbraw/zinc/10/68/29/208106829.db2.gz JXKGERZHRSMFJY-UHFFFAOYSA-N 0 3 397.523 2.446 50 0 GEAAHN Cc1ccccc1-n1cc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000091461702 208120833 /nfs/dbraw/zinc/12/08/33/208120833.db2.gz CNUZKAMXHCBHPA-QFIPXVFZSA-N 0 3 381.524 2.309 50 0 GEAAHN Cc1ccc(CCNC(=O)[C@H]2CNC[C@@H](C(=O)Nc3ccc(C)nc3)C2)cc1 ZINC000095364055 208163280 /nfs/dbraw/zinc/16/32/80/208163280.db2.gz RUDFNLZRMHRXCD-MOPGFXCFSA-N 0 3 380.492 2.222 50 0 GEAAHN Cc1cc(C)n(-c2ccccc2CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)n1 ZINC000095366476 208163732 /nfs/dbraw/zinc/16/37/32/208163732.db2.gz JQKVSQDEQJMQMA-QFIPXVFZSA-N 0 3 381.524 2.275 50 0 GEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3ccc4c(c3)CC(C)(C)O4)C[C@@H]2C1 ZINC000095366511 208163838 /nfs/dbraw/zinc/16/38/38/208163838.db2.gz TTYMJCQGBHSLKP-XMSQKQJNSA-N 0 3 387.524 2.340 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000095377345 208170547 /nfs/dbraw/zinc/17/05/47/208170547.db2.gz UVTQIFSDDJFKCC-QGZVFWFLSA-N 0 3 384.480 2.122 50 0 GEAAHN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](CCCc2ccccc2)C3)c(=O)[n-]1 ZINC000091988032 208143292 /nfs/dbraw/zinc/14/32/92/208143292.db2.gz SKBSANRJDDGFSO-RBUKOAKNSA-N 0 3 380.492 2.248 50 0 GEAAHN Cc1ncc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](CCCc2ccccc2)C3)c(=O)[n-]1 ZINC000091988032 208143297 /nfs/dbraw/zinc/14/32/97/208143297.db2.gz SKBSANRJDDGFSO-RBUKOAKNSA-N 0 3 380.492 2.248 50 0 GEAAHN Cc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)nc(N)n1 ZINC000095385341 208176715 /nfs/dbraw/zinc/17/67/15/208176715.db2.gz DBQZLKDWSPWKLQ-CWFSZBLJSA-N 0 3 379.464 2.163 50 0 GEAAHN CCN1CCN(C[C@H](O)COc2cccc(CN3CCC(F)(F)CC3)c2)CC1 ZINC000095498308 208199500 /nfs/dbraw/zinc/19/95/00/208199500.db2.gz IUULTOGIGLYYBE-IBGZPJMESA-N 0 3 397.510 2.295 50 0 GEAAHN CCN(C)S(=O)(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000095523691 208222148 /nfs/dbraw/zinc/22/21/48/208222148.db2.gz MBZSNAVEGNUTMO-KRWDZBQOSA-N 0 3 383.558 2.078 50 0 GEAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1cc(C)ccc1F)CC2 ZINC000095524792 208223795 /nfs/dbraw/zinc/22/37/95/208223795.db2.gz GBRKGGTXYYVZGM-UHFFFAOYSA-N 0 3 386.471 2.380 50 0 GEAAHN CNC(=O)CNC(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 ZINC000095530483 208228917 /nfs/dbraw/zinc/22/89/17/208228917.db2.gz MMEAKZUTGVTMCG-UHFFFAOYSA-N 0 3 395.503 2.248 50 0 GEAAHN CCc1nccn1CC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000095529951 208230841 /nfs/dbraw/zinc/23/08/41/208230841.db2.gz ZBCWRZLQOUTING-UHFFFAOYSA-N 0 3 384.528 2.201 50 0 GEAAHN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000096006278 208250183 /nfs/dbraw/zinc/25/01/83/208250183.db2.gz CYIBRUYUDYPOFL-NRFANRHFSA-N 0 3 396.487 2.323 50 0 GEAAHN Cn1c(Cn2cncn2)nnc1C1CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000096162579 208280554 /nfs/dbraw/zinc/28/05/54/208280554.db2.gz KVLBSHGUCAIRJE-UHFFFAOYSA-N 0 3 376.468 2.316 50 0 GEAAHN CNC(=O)c1ccc(Cl)c(NC(=O)N(CCOC)C2CCN(C)CC2)c1 ZINC000096166635 208285041 /nfs/dbraw/zinc/28/50/41/208285041.db2.gz HLPQYSPSMZMFAK-UHFFFAOYSA-N 0 3 382.892 2.274 50 0 GEAAHN CCOC(=O)c1ccc(NC(=O)N2CCC[C@@H](CN3CCN(C)CC3)C2)cc1 ZINC000097137628 208341150 /nfs/dbraw/zinc/34/11/50/208341150.db2.gz GGISHRVLLLSBAO-KRWDZBQOSA-N 0 3 388.512 2.355 50 0 GEAAHN CCSCC(=O)N1CCC2(CCN(Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097334134 208354367 /nfs/dbraw/zinc/35/43/67/208354367.db2.gz ZIIXHJPZEXIHSQ-SFHVURJKSA-N 0 3 377.554 2.258 50 0 GEAAHN COc1ccc(CCN2C(=O)C3=NNN(c4ccccc4)C3C2=O)cc1OC ZINC000101129468 208388020 /nfs/dbraw/zinc/38/80/20/208388020.db2.gz MLRXLAJQHPMYEI-ROUUACIJSA-N 0 3 380.404 2.240 50 0 GEAAHN O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(N2CCC[C@@H]2CO)CC1 ZINC000096099750 209007522 /nfs/dbraw/zinc/00/75/22/209007522.db2.gz INLGJHNNJCGWTC-CYBMUJFWSA-N 0 3 376.881 2.089 50 0 GEAAHN CN1CCC(C(=O)NC2CCN(c3cnccn3)CC2)(c2ccccc2)CC1 ZINC000299795421 209091344 /nfs/dbraw/zinc/09/13/44/209091344.db2.gz MCBKMABKTDHCNT-UHFFFAOYSA-N 0 3 379.508 2.225 50 0 GEAAHN CN(CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)Cc1nc2ccc(F)cc2[nH]1 ZINC000244601723 209021360 /nfs/dbraw/zinc/02/13/60/209021360.db2.gz DQZCJJQOOCFCBT-UHFFFAOYSA-N 0 3 382.399 2.332 50 0 GEAAHN CC(C)c1ccccc1NC(=O)CCN1CCC2(CC1)C(=O)N(C)C(=O)N2C ZINC000244708010 209021596 /nfs/dbraw/zinc/02/15/96/209021596.db2.gz KLYHBLPIBRZIDV-UHFFFAOYSA-N 0 3 386.496 2.497 50 0 GEAAHN COC[C@@H]1CCCN(CCNC(=O)c2cnn(-c3ccccc3OC)c2C)C1 ZINC000242191351 209021828 /nfs/dbraw/zinc/02/18/28/209021828.db2.gz XEVZTGNYFQDONQ-QGZVFWFLSA-N 0 3 386.496 2.278 50 0 GEAAHN CSCCN1CCC(Nc2cc([C@H]3C[C@@H](NC(C)=O)C3)nc(C)n2)CC1 ZINC000243885586 209022350 /nfs/dbraw/zinc/02/23/50/209022350.db2.gz AAQQVCJRQXYPBA-WOVMCDHWSA-N 0 3 377.558 2.406 50 0 GEAAHN O=C1OCC[C@@H]1N1CCC(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252492196 209034690 /nfs/dbraw/zinc/03/46/90/209034690.db2.gz MFKQZCKKFVEXDO-INIZCTEOSA-N 0 3 398.429 2.002 50 0 GEAAHN CN(C)Cc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCC2)cc1 ZINC000012753157 221225488 /nfs/dbraw/zinc/22/54/88/221225488.db2.gz HGOYAKBQFDDUHL-UHFFFAOYSA-N 0 3 376.460 2.334 50 0 GEAAHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)CN(C)C(C)C)C3)C2=O)c1 ZINC000426634331 533478747 /nfs/dbraw/zinc/47/87/47/533478747.db2.gz RTKAMMQVJDVQHF-QFIPXVFZSA-N 0 3 387.524 2.377 50 0 GEAAHN COc1cccc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000426651213 533480415 /nfs/dbraw/zinc/48/04/15/533480415.db2.gz FOUMSXVBYDVBGW-SFHVURJKSA-N 0 3 385.512 2.036 50 0 GEAAHN CCCN(CCC)C(=O)c1cc(NC(=O)C(C)C)cnc1N1CCNCC1 ZINC000065025379 136158889 /nfs/dbraw/zinc/15/88/89/136158889.db2.gz WIQZUSIZMYOZGG-UHFFFAOYSA-N 0 3 375.517 2.348 50 0 GEAAHN O=C(CSCCN1CCCC1)N1CCN(c2ccccc2Cl)C(=O)C1 ZINC000082125407 136173805 /nfs/dbraw/zinc/17/38/05/136173805.db2.gz ONLJMVZXIRVPHR-UHFFFAOYSA-N 0 3 381.929 2.344 50 0 GEAAHN Cc1cc(N[C@@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc(N)n1 ZINC000091706583 136177073 /nfs/dbraw/zinc/17/70/73/136177073.db2.gz BZMHVENKDCIWOS-OAHLLOKOSA-N 0 3 383.500 2.244 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NC[C@H](O)c3ccc(O)cc3)CC2)c1 ZINC000095384469 136178686 /nfs/dbraw/zinc/17/86/86/136178686.db2.gz HGVZRALHHCEJEF-NRFANRHFSA-N 0 3 383.492 2.063 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000095477091 136179500 /nfs/dbraw/zinc/17/95/00/136179500.db2.gz QRIHRDFDEVNZEJ-HNNXBMFYSA-N 0 3 399.944 2.484 50 0 GEAAHN CCOc1ccccc1N1CCN(C(=O)[C@H]2CCCN(CCOC)C2)CC1 ZINC000097742869 136188753 /nfs/dbraw/zinc/18/87/53/136188753.db2.gz GRLRPPPLLUMHMH-SFHVURJKSA-N 0 3 375.513 2.092 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668728 570293091 /nfs/dbraw/zinc/29/30/91/570293091.db2.gz KVMVOHMHJPPJJT-UHFFFAOYSA-N 0 3 384.499 2.439 50 0 GEAAHN COc1cc(OC)c(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000107417599 570309449 /nfs/dbraw/zinc/30/94/49/570309449.db2.gz KLKPVMLJTNIARF-LJQANCHMSA-N 0 3 381.904 2.144 50 0 GEAAHN COCCN1CC[C@@]2(CN(Cc3cccc(C)c3F)CCN2C)CCC1=O ZINC000107405705 570309489 /nfs/dbraw/zinc/30/94/89/570309489.db2.gz QYNIBRJTEGOPEK-OAQYLSRUSA-N 0 3 377.504 2.279 50 0 GEAAHN COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCC[NH2+]C2)cc1Cl ZINC000237200799 570334433 /nfs/dbraw/zinc/33/44/33/570334433.db2.gz NLPRAZWISCKQCL-MRVPVSSYSA-N 0 3 383.695 2.141 50 0 GEAAHN CC(C)(N)c1cn(C[C@@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000023214156 570350128 /nfs/dbraw/zinc/35/01/28/570350128.db2.gz JGBMHHRDISDLDP-MRXNPFEDSA-N 0 3 388.491 2.275 50 0 GEAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCCC[C@@H]4C)c3c2c1 ZINC000004961867 570383284 /nfs/dbraw/zinc/38/32/84/570383284.db2.gz USKBDQJYWLECKS-HNNXBMFYSA-N 0 3 382.464 2.442 50 0 GEAAHN CCCCN(C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1 ZINC000004971557 570386441 /nfs/dbraw/zinc/38/64/41/570386441.db2.gz SNVRWAHMBZVTBC-UHFFFAOYSA-N 0 3 393.553 2.386 50 0 GEAAHN CCc1ccc([C@H](Cn2c(=O)[nH]c3cc(C(=O)OC)ccc3c2=O)N(C)C)cc1 ZINC000024940119 570399236 /nfs/dbraw/zinc/39/92/36/570399236.db2.gz RJLLHHNNOIXDPC-IBGZPJMESA-N 0 3 395.459 2.342 50 0 GEAAHN COc1ccc(/C=C/C(=O)NCCNc2cc(N(C)C)nc(C)n2)cc1OC ZINC000042380912 570466748 /nfs/dbraw/zinc/46/67/48/570466748.db2.gz LXMXPRKQTJZNCO-VQHVLOKHSA-N 0 3 385.468 2.110 50 0 GEAAHN Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)NCCN(C)C)no2)cc1 ZINC000035989175 570504942 /nfs/dbraw/zinc/50/49/42/570504942.db2.gz WYAVMSMODNZXBK-GOSISDBHSA-N 0 3 384.480 2.323 50 0 GEAAHN COc1cc(C(=O)[N-]c2cn(CCc3ccccc3)n[o+]2)cc(OC)c1OC ZINC000006627672 570510305 /nfs/dbraw/zinc/51/03/05/570510305.db2.gz OYWSMTBBZRLPPW-UHFFFAOYSA-O 0 3 384.412 2.483 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 ZINC000033326769 570525101 /nfs/dbraw/zinc/52/51/01/570525101.db2.gz PMYOIAWTKPBKTG-UHFFFAOYSA-N 0 3 376.411 2.483 50 0 GEAAHN COc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COC(C)(C)C)cc1 ZINC000036102079 570539004 /nfs/dbraw/zinc/53/90/04/570539004.db2.gz OZIOZHRZPKSZRW-LJQANCHMSA-N 0 3 380.529 2.005 50 0 GEAAHN CN(C)CCNC(=O)CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000032995179 570576971 /nfs/dbraw/zinc/57/69/71/570576971.db2.gz KYZHJOXBFSSPHE-UHFFFAOYSA-N 0 3 395.916 2.444 50 0 GEAAHN O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000011816474 570584482 /nfs/dbraw/zinc/58/44/82/570584482.db2.gz NFCIAHZCRNAZHJ-KRWDZBQOSA-N 0 3 388.471 2.285 50 0 GEAAHN CSCC(=O)N1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000011817113 570584507 /nfs/dbraw/zinc/58/45/07/570584507.db2.gz UCMMGBHCIZUGSA-UHFFFAOYSA-N 0 3 393.553 2.053 50 0 GEAAHN CCN1CCN(C(=O)CCC2CCN(Cc3ccc4nonc4c3)CC2)CC1 ZINC000011839910 570586725 /nfs/dbraw/zinc/58/67/25/570586725.db2.gz HTYYGXTWPKAVMW-UHFFFAOYSA-N 0 3 385.512 2.379 50 0 GEAAHN COCC(=O)N[C@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011999519 570597882 /nfs/dbraw/zinc/59/78/82/570597882.db2.gz VPDAKTSYRCQIAK-GOSISDBHSA-N 0 3 385.512 2.186 50 0 GEAAHN C/C=C(\C)CN1C[C@H](Sc2nccn2C)C[C@H]1C(=O)N1CCCN(C)CC1 ZINC000012154439 570618084 /nfs/dbraw/zinc/61/80/84/570618084.db2.gz FJQPTHXHQITCAY-VUTNHFHASA-N 0 3 391.585 2.085 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1NC(C)=O ZINC000047406823 570654241 /nfs/dbraw/zinc/65/42/41/570654241.db2.gz PTFMRPIZSAUUFB-GJZGRUSLSA-N 0 3 397.541 2.300 50 0 GEAAHN COCCC(=O)N(CCOC)CC1CCN(Cc2ccccc2OC)CC1 ZINC000012429980 570658528 /nfs/dbraw/zinc/65/85/28/570658528.db2.gz NZFTXPMBZVUIQL-UHFFFAOYSA-N 0 3 378.513 2.419 50 0 GEAAHN COCCN1CCC(CNC(=O)c2cn(C/C=C/c3ccccc3)nn2)CC1 ZINC000012585900 570685446 /nfs/dbraw/zinc/68/54/46/570685446.db2.gz DTVYCCKQARUUOB-VMPITWQZSA-N 0 3 383.496 2.080 50 0 GEAAHN CN(C(=O)Cn1nc(Cl)ccc1=O)[C@H]1CCCN(CCc2ccccc2)C1 ZINC000012711927 570702569 /nfs/dbraw/zinc/70/25/69/570702569.db2.gz LJAZFOQJVDEJSI-KRWDZBQOSA-N 0 3 388.899 2.062 50 0 GEAAHN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@H]12 ZINC000058192787 570717861 /nfs/dbraw/zinc/71/78/61/570717861.db2.gz OCWDLWLLGYKUBS-IAGOWNOFSA-N 0 3 377.510 2.027 50 0 GEAAHN CN(CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000004374245 570720331 /nfs/dbraw/zinc/72/03/31/570720331.db2.gz HWQITQOVHXOHNA-GOSISDBHSA-N 0 3 384.455 2.362 50 0 GEAAHN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058226003 570721731 /nfs/dbraw/zinc/72/17/31/570721731.db2.gz IKCGPARMOXZPMB-IERDGZPVSA-N 0 3 396.491 2.068 50 0 GEAAHN Cc1nn(C)c(C)c1S(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058245338 570722814 /nfs/dbraw/zinc/72/28/14/570722814.db2.gz RXJLXEJVERBPGL-GOSISDBHSA-N 0 3 376.526 2.227 50 0 GEAAHN CCOC(=O)N(C)CC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 ZINC000058282562 570724431 /nfs/dbraw/zinc/72/44/31/570724431.db2.gz OSCBQWMRNCTXJO-UHFFFAOYSA-N 0 3 377.485 2.112 50 0 GEAAHN COc1ccc([C@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)N(C)C)cc1 ZINC000058896623 570736394 /nfs/dbraw/zinc/73/63/94/570736394.db2.gz IENXTMGDQVNWEW-IBGZPJMESA-N 0 3 395.467 2.404 50 0 GEAAHN Cc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC4)CC3)o2)cc1 ZINC000065229621 570740265 /nfs/dbraw/zinc/74/02/65/570740265.db2.gz UAKMMIOQPPSGOL-UHFFFAOYSA-N 0 3 383.496 2.473 50 0 GEAAHN COc1ccc(C(OC[C@@H](O)CN(C)CCO)c2ccc(OC)cc2)cc1 ZINC000007015469 570741111 /nfs/dbraw/zinc/74/11/11/570741111.db2.gz ZZYKILNHSAZQSN-SFHVURJKSA-N 0 3 375.465 2.095 50 0 GEAAHN O=C(COc1ccc(NC(=O)C2CC2)cn1)N1CCN(C2CCCCC2)CC1 ZINC000065245737 570747290 /nfs/dbraw/zinc/74/72/90/570747290.db2.gz DVXDCLVYRNKNRC-UHFFFAOYSA-N 0 3 386.496 2.286 50 0 GEAAHN CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCCCCC3)ccc21 ZINC000067602222 570782518 /nfs/dbraw/zinc/78/25/18/570782518.db2.gz VFZICTJCMYCDRL-UHFFFAOYSA-N 0 3 379.526 2.140 50 0 GEAAHN Cc1nc(NCCNC(=O)c2cccc(Cl)c2)cc(N2CCOCC2)n1 ZINC000067602186 570782717 /nfs/dbraw/zinc/78/27/17/570782717.db2.gz BHAJHHLHYUPXIY-UHFFFAOYSA-N 0 3 375.860 2.117 50 0 GEAAHN O=c1[nH]c2cc3c(cc2cc1CN1CCC(Nc2ncccn2)CC1)OCO3 ZINC000067673427 570785195 /nfs/dbraw/zinc/78/51/95/570785195.db2.gz PZHGLLXQGJIOSZ-UHFFFAOYSA-N 0 3 379.420 2.123 50 0 GEAAHN CN[C@@H](CO)C(=O)N1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067787323 570791045 /nfs/dbraw/zinc/79/10/45/570791045.db2.gz HMCGZDQVHINVKP-IBGZPJMESA-N 0 3 377.444 2.474 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)CN1C(=O)NC(CC)(CC)C1=O)c1ccccc1 ZINC000036700641 570796720 /nfs/dbraw/zinc/79/67/20/570796720.db2.gz AIRRDTUGLCBHQA-KRWDZBQOSA-N 0 3 388.512 2.296 50 0 GEAAHN CNC(=O)[C@H]1CCN(Cc2cccc(C(=O)Nc3ccc4n[nH]cc4c3)c2)C1 ZINC000067910085 570796919 /nfs/dbraw/zinc/79/69/19/570796919.db2.gz QPDOBLHHBSUJSW-INIZCTEOSA-N 0 3 377.448 2.383 50 0 GEAAHN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)N1CCCN2CCC[C@H]2C1 ZINC000065499587 570826753 /nfs/dbraw/zinc/82/67/53/570826753.db2.gz HJDWIYJNKISJTR-SFHVURJKSA-N 0 3 376.522 2.036 50 0 GEAAHN COc1ccc(CNc2nn3c(nc(CN4CCCC[C@@H]4C)cc3=O)[nH]2)cc1 ZINC000101796292 570834287 /nfs/dbraw/zinc/83/42/87/570834287.db2.gz PYQAYWCWPBYZAC-AWEZNQCLSA-N 0 3 382.468 2.413 50 0 GEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[N@@H+]2CCCC[C@@H]2C)cc3=O)cc1 ZINC000101796292 570834290 /nfs/dbraw/zinc/83/42/90/570834290.db2.gz PYQAYWCWPBYZAC-AWEZNQCLSA-N 0 3 382.468 2.413 50 0 GEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[N@H+]2CCCC[C@@H]2C)cc3=O)cc1 ZINC000101796292 570834293 /nfs/dbraw/zinc/83/42/93/570834293.db2.gz PYQAYWCWPBYZAC-AWEZNQCLSA-N 0 3 382.468 2.413 50 0 GEAAHN CCN1CCN(CCCNS(=O)(=O)c2cc(-c3cc(C)no3)cs2)CC1 ZINC000033169529 570838356 /nfs/dbraw/zinc/83/83/56/570838356.db2.gz AQCWGJHZOPSAFK-UHFFFAOYSA-N 0 3 398.554 2.017 50 0 GEAAHN O=C(C1CC1)N1CCc2c(ncnc2N[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000071751213 570846884 /nfs/dbraw/zinc/84/68/84/570846884.db2.gz YJUMZLLCHCWUOM-SFHVURJKSA-N 0 3 377.492 2.458 50 0 GEAAHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000170597846 570856237 /nfs/dbraw/zinc/85/62/37/570856237.db2.gz VDDFYRUAOSYGIE-TVFCKZIOSA-N 0 3 379.545 2.124 50 0 GEAAHN O=C(CC1CCN(S(=O)(=O)c2ccccc2)CC1)NCCN1CCCCC1 ZINC000033254494 570858805 /nfs/dbraw/zinc/85/88/05/570858805.db2.gz UWCKTPCRNDVRBW-UHFFFAOYSA-N 0 3 393.553 2.080 50 0 GEAAHN O=C(Cc1ccc2c(c1)OCCO2)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000170613550 570871928 /nfs/dbraw/zinc/87/19/28/570871928.db2.gz SIEBWOKNGWRPHJ-FQEVSTJZSA-N 0 3 396.487 2.408 50 0 GEAAHN [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3ccccc3OCC(=O)[O-])CC2)[C@H]1O ZINC000072154472 570874603 /nfs/dbraw/zinc/87/46/03/570874603.db2.gz HAYKETRJZUTBIA-RTWAWAEBSA-N 0 3 382.460 2.058 50 0 GEAAHN Cc1nc2cc(C(=O)N3CCC4(CC3)c3ccccc3[C@@H](N)[C@@H]4O)ccc2[nH]1 ZINC000072161165 570875066 /nfs/dbraw/zinc/87/50/66/570875066.db2.gz WHGDWBLTHCOBBV-UXHICEINSA-N 0 3 376.460 2.420 50 0 GEAAHN c1c(CN2CCC[C@H](c3nc(-c4cccnc4)no3)C2)nn2c1CNCCC2 ZINC000072169716 570877628 /nfs/dbraw/zinc/87/76/28/570877628.db2.gz KYQMVCWGFJZEJZ-INIZCTEOSA-N 0 3 379.468 2.201 50 0 GEAAHN CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174125 570878046 /nfs/dbraw/zinc/87/80/46/570878046.db2.gz UKBILSOTQXGPFB-KRWDZBQOSA-N 0 3 383.496 2.415 50 0 GEAAHN CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)c2cnc(C(C)C)[n-]c2=O)C1 ZINC000072174125 570878048 /nfs/dbraw/zinc/87/80/48/570878048.db2.gz UKBILSOTQXGPFB-KRWDZBQOSA-N 0 3 383.496 2.415 50 0 GEAAHN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000103405325 570883719 /nfs/dbraw/zinc/88/37/19/570883719.db2.gz TWLQEMWQOREMFR-JTHBVZDNSA-N 0 3 390.487 2.135 50 0 GEAAHN NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000076069758 570919679 /nfs/dbraw/zinc/91/96/79/570919679.db2.gz FBKAHYAKHWFSRO-IRXDYDNUSA-N 0 3 376.526 2.053 50 0 GEAAHN CN1CC[C@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000252474605 570964326 /nfs/dbraw/zinc/96/43/26/570964326.db2.gz IEDYYCCBLJTLGX-HIFRSBDPSA-N 0 3 381.318 2.279 50 0 GEAAHN CCN1CCN(CCCCNC(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)CC1 ZINC000170652717 570999110 /nfs/dbraw/zinc/99/91/10/570999110.db2.gz VZPPHZFPHSXVPR-UHFFFAOYSA-N 0 3 396.539 2.497 50 0 GEAAHN O=c1[nH]c2ccc(S(=O)(=O)NCC3(N4CCCCC4)CCCCC3)cc2[nH]1 ZINC000012770553 571025244 /nfs/dbraw/zinc/02/52/44/571025244.db2.gz OOEXPFJEMAAGAU-UHFFFAOYSA-N 0 3 392.525 2.323 50 0 GEAAHN COc1cccc(CN2CCN(C3CSCCSC3)C[C@@H]2CCO)c1 ZINC000019220070 642397381 /nfs/dbraw/zinc/39/73/81/642397381.db2.gz OAOPRFDBTUADNO-KRWDZBQOSA-N 0 3 382.595 2.412 50 0 GEAAHN CN(C)c1nc2c(c(=O)[nH]1)CCN(Cc1ccc(F)c(Br)c1)CC2 ZINC000169757475 644282214 /nfs/dbraw/zinc/28/22/14/644282214.db2.gz RLJLSWAJHAPQPZ-UHFFFAOYSA-N 0 3 395.276 2.338 50 0 GEAAHN O=C(C[C@@H]1CCNC[C@@H]1F)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000888101957 654066115 /nfs/dbraw/zinc/06/61/15/654066115.db2.gz RLWDOTPZMRLMIF-JSGCOSHPSA-N 0 3 396.264 2.365 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)N2CCC(n3cnnc3)CC2)C1 ZINC000426387240 231211801 /nfs/dbraw/zinc/21/18/01/231211801.db2.gz JAKKGUKOAUYZEH-GOSISDBHSA-N 0 3 382.512 2.423 50 0 GEAAHN O=C(NCCCN1CCCc2ccccc21)NCc1cc2n(n1)CCCNC2 ZINC000426640547 231247542 /nfs/dbraw/zinc/24/75/42/231247542.db2.gz SYJCWOFRRYUROK-UHFFFAOYSA-N 0 3 382.512 2.019 50 0 GEAAHN COCc1nc([C@@H]2CCOC2)cc(N2CCC(N3CCSCC3)CC2)n1 ZINC000426612751 231246714 /nfs/dbraw/zinc/24/67/14/231246714.db2.gz YXVSOESNSWOTHD-OAHLLOKOSA-N 0 3 378.542 2.145 50 0 GEAAHN O=C(NC[C@H]1CCCO1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000426662458 231250205 /nfs/dbraw/zinc/25/02/05/231250205.db2.gz RAHINZDYLPWRKO-OAQYLSRUSA-N 0 3 386.540 2.157 50 0 GEAAHN O=C(NCCN1CCC[C@@H](CO)C1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000426727316 231256375 /nfs/dbraw/zinc/25/63/75/231256375.db2.gz CKZHEWFEGHKQBY-LJQANCHMSA-N 0 3 377.504 2.494 50 0 GEAAHN CN(C)c1ccc(CN2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)cn1 ZINC000426428370 529780493 /nfs/dbraw/zinc/78/04/93/529780493.db2.gz YYFMDNIWEGYFDE-SFHVURJKSA-N 0 3 383.544 2.252 50 0 GEAAHN CCN1CCN(CCCNC(=O)c2ccc(OC)c(Br)c2)CC1 ZINC000041442826 531664808 /nfs/dbraw/zinc/66/48/08/531664808.db2.gz GVYJITFRXURELZ-UHFFFAOYSA-N 0 3 384.318 2.215 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[NH2+]C1 ZINC000044502462 531681965 /nfs/dbraw/zinc/68/19/65/531681965.db2.gz AAQVOJXALSCJGT-VIFPVBQESA-N 0 3 397.722 2.389 50 0 GEAAHN C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000237250668 532506329 /nfs/dbraw/zinc/50/63/29/532506329.db2.gz FFTZKENPQZRINI-NSHDSACASA-N 0 3 378.270 2.362 50 0 GEAAHN COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCC[NH2+]C2)cc1Cl ZINC000193351217 209124153 /nfs/dbraw/zinc/12/41/53/209124153.db2.gz NLPRAZWISCKQCL-QMMMGPOBSA-N 0 3 383.695 2.141 50 0 GEAAHN COc1cc(CNC[C@@H]2CN(C)CCO2)ccc1OCc1c(C)noc1C ZINC000105472437 206245257 /nfs/dbraw/zinc/24/52/57/206245257.db2.gz DJABGJHZRDUDJI-QGZVFWFLSA-N 0 3 375.469 2.299 50 0 GEAAHN CSCCCNCc1c(C(=O)N2C[C@@H](C)O[C@@H](C)C2)nc2sccn12 ZINC000011819716 206835456 /nfs/dbraw/zinc/83/54/56/206835456.db2.gz ZMAWHHKFCINHNA-BETUJISGSA-N 0 3 382.555 2.488 50 0 GEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C[C@H]1CCC(=O)N1 ZINC000012031056 206848597 /nfs/dbraw/zinc/84/85/97/206848597.db2.gz SPXRAANFFMKCGD-GOSISDBHSA-N 0 3 375.488 2.207 50 0 GEAAHN Cc1c(CN2CCC3(CC2)C(=O)N(C)C(=O)N3Cc2ccccc2)cnn1C ZINC000014742677 207027509 /nfs/dbraw/zinc/02/75/09/207027509.db2.gz FYFRRAUWRVHKHC-UHFFFAOYSA-N 0 3 381.480 2.157 50 0 GEAAHN Cc1ccc(CN[C@@H]2CCc3c(c(C(=O)NCc4ccncc4)nn3C)C2)o1 ZINC000014742252 207027781 /nfs/dbraw/zinc/02/77/81/207027781.db2.gz VBWYWLDHHCCZRK-MRXNPFEDSA-N 0 3 379.464 2.294 50 0 GEAAHN CCOC(=O)[C@]1(CCOC)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000014970131 207035650 /nfs/dbraw/zinc/03/56/50/207035650.db2.gz PJZGGSWTERDFDB-NRFANRHFSA-N 0 3 389.496 2.398 50 0 GEAAHN CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)CCn1cncn1 ZINC000015073671 207045262 /nfs/dbraw/zinc/04/52/62/207045262.db2.gz FQTQEMFKBYOSDU-HXUWFJFHSA-N 0 3 399.539 2.480 50 0 GEAAHN CN(Cc1ccccc1)C1(C(=O)NCCN2CCOCC2)Cc2ccccc2C1 ZINC000019299907 207115174 /nfs/dbraw/zinc/11/51/74/207115174.db2.gz UAAIHYQWVYZFCQ-UHFFFAOYSA-N 0 3 393.531 2.104 50 0 GEAAHN CCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000019852906 207165556 /nfs/dbraw/zinc/16/55/56/207165556.db2.gz HFQBIRRLZMQCDQ-GOSISDBHSA-N 0 3 399.514 2.077 50 0 GEAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1ccc(C)cc1C)CC2 ZINC000020777939 207215146 /nfs/dbraw/zinc/21/51/46/207215146.db2.gz AGUKEAGFDUGFRG-KRWDZBQOSA-N 0 3 385.512 2.167 50 0 GEAAHN Cc1ccc(C(N)=O)c(N2CCC3(CC2)c2ccccc2[C@@H](N(C)C)[C@@H]3O)n1 ZINC000020779293 207215328 /nfs/dbraw/zinc/21/53/28/207215328.db2.gz PZTBTRJGALRHBP-MOPGFXCFSA-N 0 3 380.492 2.004 50 0 GEAAHN CC(C)CCN1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@@H]1CCO ZINC000020779017 207215358 /nfs/dbraw/zinc/21/53/58/207215358.db2.gz JIDYSWYMEOFJJK-INIZCTEOSA-N 0 3 393.557 2.474 50 0 GEAAHN Cc1cccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c1 ZINC000021795245 207238825 /nfs/dbraw/zinc/23/88/25/207238825.db2.gz QYQCLMCXQMSNQY-UHFFFAOYSA-N 0 3 396.495 2.284 50 0 GEAAHN Cc1ccn2c(=O)cc(CNC[C@@H](c3ccc(F)cc3)N3CCOCC3)nc2c1 ZINC000022797717 207260640 /nfs/dbraw/zinc/26/06/40/207260640.db2.gz QDGWYEJMEDRRIY-FQEVSTJZSA-N 0 3 396.466 2.305 50 0 GEAAHN O[C@@H]1CCN(Cc2cn(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620182 207280013 /nfs/dbraw/zinc/28/00/13/207280013.db2.gz FZIIRSMMRPIJJA-HXUWFJFHSA-N 0 3 380.496 2.163 50 0 GEAAHN CN(C)[C@@H](CNC(=O)CCN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1 ZINC000025421714 207302584 /nfs/dbraw/zinc/30/25/84/207302584.db2.gz QORAGOPNYIVBAY-KRWDZBQOSA-N 0 3 386.496 2.050 50 0 GEAAHN CCOc1ccc(-c2cc(C(=O)NC[C@@H](C)N3CCN(CC)CC3)no2)cc1 ZINC000032594045 207398112 /nfs/dbraw/zinc/39/81/12/207398112.db2.gz DULOJSIYGHVJFM-MRXNPFEDSA-N 0 3 386.496 2.496 50 0 GEAAHN CC(C(=O)NC[C@@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000040106416 207576441 /nfs/dbraw/zinc/57/64/41/207576441.db2.gz VEVNPUHYPNRCGT-WBMJQRKESA-N 0 3 396.440 2.079 50 0 GEAAHN Cc1ccc(COc2ccccc2CNCCNC(=O)c2nonc2N)cc1 ZINC000040744371 207608174 /nfs/dbraw/zinc/60/81/74/207608174.db2.gz HNNWPELWBFTWLM-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN COC(=O)c1ccc(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)cc1 ZINC000065257001 207853585 /nfs/dbraw/zinc/85/35/85/207853585.db2.gz WZRWHFRZSWEVGH-LJQANCHMSA-N 0 3 394.475 2.129 50 0 GEAAHN CN(CC1CCN(Cc2ccccc2)CC1)C(=O)C[C@H]1CCS(=O)(=O)C1 ZINC000077517805 208048784 /nfs/dbraw/zinc/04/87/84/208048784.db2.gz GUGFAEMFIAKMSK-LJQANCHMSA-N 0 3 378.538 2.182 50 0 GEAAHN Nc1ncccc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072448138 208026882 /nfs/dbraw/zinc/02/68/82/208026882.db2.gz IKGRYAWVKCIRHG-IOMROCGXSA-N 0 3 378.476 2.455 50 0 GEAAHN Cc1ccc(N2CC[C@@H](CNC(=O)CCc3cc4n(n3)CCCNC4)C2)cc1 ZINC000072467973 208030623 /nfs/dbraw/zinc/03/06/23/208030623.db2.gz ZVUNNTYBWRMXER-SFHVURJKSA-N 0 3 381.524 2.260 50 0 GEAAHN CCOc1ccc(-c2noc(CCC(=O)N(CCOC)CCN(C)C)n2)cc1 ZINC000084809415 208100600 /nfs/dbraw/zinc/10/06/00/208100600.db2.gz FSLGKPQUCBFGTP-UHFFFAOYSA-N 0 3 390.484 2.105 50 0 GEAAHN CN(C)CCN1C[C@@]2(CCCN(C(=O)c3cccc(N(C)C)c3)C2)CCC1=O ZINC000082115663 208080879 /nfs/dbraw/zinc/08/08/79/208080879.db2.gz DQVYRNJVDRFTMH-JOCHJYFZSA-N 0 3 386.540 2.159 50 0 GEAAHN Cc1ccc2[nH]c(CN3CC[C@](O)(CN4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548155 208122359 /nfs/dbraw/zinc/12/23/59/208122359.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 0 3 386.540 2.475 50 0 GEAAHN Cc1ccc2nc(CN3CC[C@](O)(CN4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548155 208122361 /nfs/dbraw/zinc/12/23/61/208122361.db2.gz HGYIHMSXQXAMPZ-QFIPXVFZSA-N 0 3 386.540 2.475 50 0 GEAAHN COCCN1CC[C@]2(CN(Cc3cccc(Cl)c3)CCN2C)CCC1=O ZINC000091745699 208136316 /nfs/dbraw/zinc/13/63/16/208136316.db2.gz NDPYUWFVVGLVSX-FQEVSTJZSA-N 0 3 379.932 2.485 50 0 GEAAHN Cc1cc(-n2cccn2)ccc1CN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091846011 208138345 /nfs/dbraw/zinc/13/83/45/208138345.db2.gz WUFCPZABFBAGHO-QFIPXVFZSA-N 0 3 381.524 2.309 50 0 GEAAHN CN(CCCn1ccnc1)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000089346160 208104948 /nfs/dbraw/zinc/10/49/48/208104948.db2.gz UCAZZYJWIFRTTE-UHFFFAOYSA-N 0 3 383.496 2.082 50 0 GEAAHN C[C@H](C(=O)N1CCCC1)N1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091425670 208116165 /nfs/dbraw/zinc/11/61/65/208116165.db2.gz KDIBFKRKMOVKLT-LJQANCHMSA-N 0 3 398.551 2.340 50 0 GEAAHN COCCN1CC2(CCC1=O)CCN(CCOc1cccc(OC)c1)CC2 ZINC000091391053 208117557 /nfs/dbraw/zinc/11/75/57/208117557.db2.gz XZGRBDBLHZULSY-UHFFFAOYSA-N 0 3 376.497 2.425 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CCN3CCCO3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095362728 208162672 /nfs/dbraw/zinc/16/26/72/208162672.db2.gz PZDNJPHRHQKUKU-KSEOMHKRSA-N 0 3 385.508 2.111 50 0 GEAAHN COc1ccc(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)cc1OC ZINC000095370292 208166322 /nfs/dbraw/zinc/16/63/22/208166322.db2.gz NGIWCICVOQSTCI-KRWDZBQOSA-N 0 3 386.496 2.482 50 0 GEAAHN COc1ccc([C@@H]2CN(c3ncnc4nc[nH]c43)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095373856 208168881 /nfs/dbraw/zinc/16/88/81/208168881.db2.gz AQLKSMMSQKQIMX-QXAKKESOSA-N 0 3 376.464 2.428 50 0 GEAAHN Cc1ccc(Cc2ccccc2C(=O)N2C[C@H](CO)[C@H](CN(C)CCO)C2)cc1 ZINC000091966334 208144163 /nfs/dbraw/zinc/14/41/63/208144163.db2.gz DYRYMHBEOWQLAY-FGZHOGPDSA-N 0 3 396.531 2.190 50 0 GEAAHN COc1cc(C)c(CN2C[C@@H](C(C)C)[C@H](NS(=O)(=O)N(C)C)C2)cc1C ZINC000095388656 208174337 /nfs/dbraw/zinc/17/43/37/208174337.db2.gz UEHKJEPDDZSKCY-ZWKOTPCHSA-N 0 3 383.558 2.164 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)N(C)C)CC2)c(Cl)c1 ZINC000095506051 208208338 /nfs/dbraw/zinc/20/83/38/208208338.db2.gz SDBIRKGQYLVTDC-UHFFFAOYSA-N 0 3 396.919 2.156 50 0 GEAAHN COc1cccc([C@H]2CN(c3ccc(C(N)=O)cn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095385500 208176825 /nfs/dbraw/zinc/17/68/25/208176825.db2.gz TUKCDNHLFWKYKE-HMXCVIKNSA-N 0 3 378.476 2.256 50 0 GEAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3c(C)nn(C)c3C)nn1C)C2 ZINC000095390884 208177798 /nfs/dbraw/zinc/17/77/98/208177798.db2.gz KGPGSZGDOPGMKT-IAGOWNOFSA-N 0 3 384.528 2.384 50 0 GEAAHN COc1cc2c(cc1OC)CN(CC(=O)NCC(C)(C)N1CCCCC1)CC2 ZINC000095427642 208181653 /nfs/dbraw/zinc/18/16/53/208181653.db2.gz OPOMTCYYLIBTLC-UHFFFAOYSA-N 0 3 389.540 2.443 50 0 GEAAHN CCN1CCN(C[C@@H](O)COc2ccc(CN3CCCCC3)cc2OC)CC1 ZINC000095501263 208202478 /nfs/dbraw/zinc/20/24/78/208202478.db2.gz ANOAKURYYCSLBZ-HXUWFJFHSA-N 0 3 391.556 2.058 50 0 GEAAHN COc1cccc(CN2CCCCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000095509400 208210776 /nfs/dbraw/zinc/21/07/76/208210776.db2.gz MCHWMCSMJKQSEH-LJQANCHMSA-N 0 3 378.513 2.143 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CN(C)Cc3ccncc3)C[C@H]2N(C)C)cc1 ZINC000095504259 208205312 /nfs/dbraw/zinc/20/53/12/208205312.db2.gz APGZZZKHVPSZCU-LEWJYISDSA-N 0 3 382.508 2.078 50 0 GEAAHN O=C(NCCN1CC[C@H](c2ccccc2)C1)Nc1ccc(-n2cnnn2)cc1 ZINC000095516662 208216613 /nfs/dbraw/zinc/21/66/13/208216613.db2.gz XHKNFQZVVMFWOD-KRWDZBQOSA-N 0 3 377.452 2.273 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000095525143 208222100 /nfs/dbraw/zinc/22/21/00/208222100.db2.gz PPTSQQFUUODLGR-QGZVFWFLSA-N 0 3 397.523 2.032 50 0 GEAAHN COc1ccc(CCN(CC2CCN(C)CC2)C(=O)c2ccc(=O)n(C)c2)cc1 ZINC000095522734 208222536 /nfs/dbraw/zinc/22/25/36/208222536.db2.gz KDRVGCPDPPFPJU-UHFFFAOYSA-N 0 3 397.519 2.421 50 0 GEAAHN O=C1CCC2(CCN(CCN3CCOCC3)CC2)CN1CCc1ccccc1 ZINC000095524740 208223949 /nfs/dbraw/zinc/22/39/49/208223949.db2.gz VZRQOQYFSQQMSM-UHFFFAOYSA-N 0 3 385.552 2.266 50 0 GEAAHN O=C(NCCN1CCCC[C@H]1CO)Nc1cnn(Cc2ccccc2F)c1 ZINC000096153621 208279307 /nfs/dbraw/zinc/27/93/07/208279307.db2.gz KFUSXFGQLFYSAU-KRWDZBQOSA-N 0 3 375.448 2.039 50 0 GEAAHN O=C(NC[C@H]1CNCCO1)Nc1ccnn1Cc1ccccc1C(F)(F)F ZINC000096139656 208270960 /nfs/dbraw/zinc/27/09/60/208270960.db2.gz NDVXBSIYWWIASZ-CYBMUJFWSA-N 0 3 383.374 2.060 50 0 GEAAHN O=C(NC[C@@H]1CNCCO1)Nc1ccnn1Cc1ccccc1C(F)(F)F ZINC000096139655 208271130 /nfs/dbraw/zinc/27/11/30/208271130.db2.gz NDVXBSIYWWIASZ-ZDUSSCGKSA-N 0 3 383.374 2.060 50 0 GEAAHN CCNC(=O)c1cc(NC(=O)NCCN2CCCC[C@H]2CO)ccc1Cl ZINC000097447001 208354160 /nfs/dbraw/zinc/35/41/60/208354160.db2.gz WLYXQJPISCEFSG-AWEZNQCLSA-N 0 3 382.892 2.058 50 0 GEAAHN Cc1cc(CN2CCC3(CC2)CCN(Cc2c(C)n[nH]c2C)C[C@@H]3CO)on1 ZINC000097784978 208361167 /nfs/dbraw/zinc/36/11/67/208361167.db2.gz MOYPDVPGMIPFJK-GOSISDBHSA-N 0 3 387.528 2.420 50 0 GEAAHN Cn1cnc2cc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)ccc2c1=O ZINC000097785638 208363138 /nfs/dbraw/zinc/36/31/38/208363138.db2.gz CEKJUKSFBRRMQA-SFHVURJKSA-N 0 3 376.460 2.153 50 0 GEAAHN Cc1ccsc1-c1cccc(C(=O)N2CCN(C[C@@H](O)CN(C)C)CC2)c1 ZINC000299801429 209093404 /nfs/dbraw/zinc/09/34/04/209093404.db2.gz YXKHHOBRUAWXIY-IBGZPJMESA-N 0 3 387.549 2.404 50 0 GEAAHN CN(C)CCn1ncc(C(=O)N2CCN(CC3CC3)CC2)c1-c1ccccc1 ZINC000253431651 209041651 /nfs/dbraw/zinc/04/16/51/209041651.db2.gz HSIQQYFJQNRDNH-UHFFFAOYSA-N 0 3 381.524 2.280 50 0 GEAAHN NC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccncc2)CCO3)C1 ZINC000299791997 209090484 /nfs/dbraw/zinc/09/04/84/209090484.db2.gz CQISAPVWZPCJQO-LJQANCHMSA-N 0 3 380.492 2.174 50 0 GEAAHN NC(=O)[C@H]1CCCN(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000299790889 209088885 /nfs/dbraw/zinc/08/88/85/209088885.db2.gz CWYBDNHQDFXPIC-JTQLQIEISA-N 0 3 376.354 2.163 50 0 GEAAHN O=C(c1ccc[nH]c1=S)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058245771 136155122 /nfs/dbraw/zinc/15/51/22/136155122.db2.gz UJBMLFVOWLAWCP-KRWDZBQOSA-N 0 3 397.548 2.440 50 0 GEAAHN Cc1ccc(N2CC(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000067340770 136164648 /nfs/dbraw/zinc/16/46/48/136164648.db2.gz ZAVFGGGEORYFEJ-LJQANCHMSA-N 0 3 386.473 2.148 50 0 GEAAHN O[C@@H]1CN(c2ccnc3ccccc32)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000071747381 136166081 /nfs/dbraw/zinc/16/60/81/136166081.db2.gz LSRASSADWBTPCX-FGZHOGPDSA-N 0 3 389.503 2.392 50 0 GEAAHN COc1cccc(CN2CCC[C@H](Nc3cc(N4CCOCC4)ncn3)C2)c1 ZINC000072478160 136171258 /nfs/dbraw/zinc/17/12/58/136171258.db2.gz JJOUACPKKXNFAE-SFHVURJKSA-N 0 3 383.496 2.398 50 0 GEAAHN Cc1nc(NCCNC(=O)Nc2cc(F)cc(F)c2)cc(N2CCOCC2)n1 ZINC000077130905 136171719 /nfs/dbraw/zinc/17/17/19/136171719.db2.gz MQLPGEIFSLHDEM-UHFFFAOYSA-N 0 3 392.410 2.133 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2ccc(OC)c(N3CCOCC3)c2)CCN1C(C)C ZINC000091452074 136176535 /nfs/dbraw/zinc/17/65/35/136176535.db2.gz KUSSBNDEXRXSDW-GOSISDBHSA-N 0 3 375.513 2.477 50 0 GEAAHN Cc1nc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000095521200 136181224 /nfs/dbraw/zinc/18/12/24/136181224.db2.gz DWNKTIIBTKZDDA-IBGZPJMESA-N 0 3 396.539 2.454 50 0 GEAAHN Cc1ncc(CN2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000095521200 136181225 /nfs/dbraw/zinc/18/12/25/136181225.db2.gz DWNKTIIBTKZDDA-IBGZPJMESA-N 0 3 396.539 2.454 50 0 GEAAHN Cc1ccc(C(=O)NC[C@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)s1 ZINC000299767820 209085004 /nfs/dbraw/zinc/08/50/04/209085004.db2.gz VNCIHPHPDLIGGQ-KRWDZBQOSA-N 0 3 391.537 2.031 50 0 GEAAHN COc1cc(CNC(=O)N2CCCO[C@H](CN3CCCC3)C2)cc(OC)c1 ZINC000426724045 533840993 /nfs/dbraw/zinc/84/09/93/533840993.db2.gz UNXMWUPMSFJPFA-LJQANCHMSA-N 0 3 377.485 2.100 50 0 GEAAHN CC(=O)N1CCC[C@@H]1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000040089590 534767904 /nfs/dbraw/zinc/76/79/04/534767904.db2.gz MHYGJDYYRXGTOK-OAQYLSRUSA-N 0 3 386.540 2.024 50 0 GEAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCN(C)[C@H](C)C2)nc1 ZINC000039557798 534915887 /nfs/dbraw/zinc/91/58/87/534915887.db2.gz PVAMCLQJOGAXBJ-QGZVFWFLSA-N 0 3 384.528 2.362 50 0 GEAAHN CC(=O)NCc1cc2n(n1)CCN(c1cc(C)nc3cc4c(cc31)OCO4)C2 ZINC000426527104 526798978 /nfs/dbraw/zinc/79/89/78/526798978.db2.gz XOUBZVBRBQWPSD-UHFFFAOYSA-N 0 3 379.420 2.125 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nc(C)n1 ZINC000065365682 535521641 /nfs/dbraw/zinc/52/16/41/535521641.db2.gz JWOBSNCQEWYHNN-UHFFFAOYSA-N 0 3 397.451 2.006 50 0 GEAAHN CN1CCCN(c2ccc(CNC(=O)c3cc4ccccc4oc3=O)cn2)CC1 ZINC000048290589 570228810 /nfs/dbraw/zinc/22/88/10/570228810.db2.gz RBFCXNOSQGUENK-UHFFFAOYSA-N 0 3 392.459 2.260 50 0 GEAAHN CC(C)c1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1ccc(F)cc1 ZINC000236886941 570275539 /nfs/dbraw/zinc/27/55/39/570275539.db2.gz MOAJXXXJLIWQMS-GOSISDBHSA-N 0 3 376.476 2.342 50 0 GEAAHN Cc1cccc2c1ncn(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C1)c2=O ZINC000012929467 570298764 /nfs/dbraw/zinc/29/87/64/570298764.db2.gz BKUOAUDCWYGRHL-GOSISDBHSA-N 0 3 376.460 2.096 50 0 GEAAHN CCn1ccnc1CN1CCC(CCC(=O)NC[C@@H]2CCCN2CC)CC1 ZINC000012301082 570298975 /nfs/dbraw/zinc/29/89/75/570298975.db2.gz BRKJWQAOIHMLON-IBGZPJMESA-N 0 3 375.561 2.496 50 0 GEAAHN C[C@H](C(=O)NCCN(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034684525 570301262 /nfs/dbraw/zinc/30/12/62/570301262.db2.gz QUANXGOMXZRSQC-HXUWFJFHSA-N 0 3 394.563 2.460 50 0 GEAAHN Cn1nc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c2c1cccc2Cl ZINC000107414033 570309633 /nfs/dbraw/zinc/30/96/33/570309633.db2.gz MHWICUQAPBWFJV-LJQANCHMSA-N 0 3 375.904 2.013 50 0 GEAAHN COCCN1CC[C@@]2(CN(CCc3cccc(F)c3)CCN2C)CCC1=O ZINC000107418755 570310056 /nfs/dbraw/zinc/31/00/56/570310056.db2.gz NNPWACVGKHIXQL-OAQYLSRUSA-N 0 3 377.504 2.013 50 0 GEAAHN CNC(=O)c1cccc(NC(=O)NC[C@H](CN(C)C)[C@@H](O)c2ccccc2)c1C ZINC000044174324 570333174 /nfs/dbraw/zinc/33/31/74/570333174.db2.gz JAPJGUKZQDTNFP-XLIONFOSSA-N 0 3 398.507 2.388 50 0 GEAAHN O=C(CN1CCCC1)N1CCN(C(=O)c2nc(-c3ccccc3)cs2)CC1 ZINC000328661107 570470524 /nfs/dbraw/zinc/47/05/24/570470524.db2.gz AALHGPWISLXQAU-UHFFFAOYSA-N 0 3 384.505 2.190 50 0 GEAAHN COc1ccccc1CN1CCN(c2nc(CN3CCCCC3)cc(=O)[nH]2)CC1 ZINC000035925338 570479585 /nfs/dbraw/zinc/47/95/85/570479585.db2.gz DMFGTMNAEDGBAK-UHFFFAOYSA-N 0 3 397.523 2.087 50 0 GEAAHN COc1ccc(N2C[C@@H](NC(=O)NCCN(C)Cc3ccccc3)CC2=O)cc1 ZINC000005191513 570499361 /nfs/dbraw/zinc/49/93/61/570499361.db2.gz GABNQQVMKAASCB-SFHVURJKSA-N 0 3 396.491 2.232 50 0 GEAAHN Cc1cc(C(=O)NCc2nnc3n2CCN(Cc2ccccc2)CC3)c(C)o1 ZINC000011788999 570582951 /nfs/dbraw/zinc/58/29/51/570582951.db2.gz NRJFWKBICKQVMH-UHFFFAOYSA-N 0 3 379.464 2.476 50 0 GEAAHN C[C@H]1CCCCN1CCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782462 570589577 /nfs/dbraw/zinc/58/95/77/570589577.db2.gz OOTVNWXNEGTETP-HNNXBMFYSA-N 0 3 384.455 2.384 50 0 GEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)CCN1CCOCC1 ZINC000012052559 570601465 /nfs/dbraw/zinc/60/14/65/570601465.db2.gz ABSXCKLBJKDHMV-UHFFFAOYSA-N 0 3 391.531 2.261 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCn2cncn2)C1 ZINC000012209828 570626546 /nfs/dbraw/zinc/62/65/46/570626546.db2.gz PYOFZXSCJZZMGD-SFHVURJKSA-N 0 3 385.512 2.090 50 0 GEAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCCN(C)CC2)nc1 ZINC000012305633 570638722 /nfs/dbraw/zinc/63/87/22/570638722.db2.gz MJENIYMNTAJWMS-UHFFFAOYSA-N 0 3 384.528 2.364 50 0 GEAAHN CN(C[C@H]1CCCN1C)C(=O)c1cc(COc2ccc(-n3cncn3)cc2)on1 ZINC000012430314 570658447 /nfs/dbraw/zinc/65/84/47/570658447.db2.gz CEUBCYYHMCLPQC-MRXNPFEDSA-N 0 3 396.451 2.001 50 0 GEAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000062580128 570670487 /nfs/dbraw/zinc/67/04/87/570670487.db2.gz BOLFQRDNJHMMDZ-CVEARBPZSA-N 0 3 390.434 2.360 50 0 GEAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012578063 570682823 /nfs/dbraw/zinc/68/28/23/570682823.db2.gz WMQYFTHZAIXXAQ-GOSISDBHSA-N 0 3 391.471 2.343 50 0 GEAAHN COc1cc(C(C)=O)ccc1OCc1cc(C(=O)NCCN2CCCC2)no1 ZINC000012744778 570707585 /nfs/dbraw/zinc/70/75/85/570707585.db2.gz IXQFZEDHSVLOCO-UHFFFAOYSA-N 0 3 387.436 2.290 50 0 GEAAHN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000058142221 570710829 /nfs/dbraw/zinc/71/08/29/570710829.db2.gz IPYHDHMZUQHRTK-WWGRRREGSA-N 0 3 395.912 2.122 50 0 GEAAHN CCCN1CCN(C(=O)c2cccnc2N2CCN[C@H](c3ccccc3)C2)CC1 ZINC000065255750 570753815 /nfs/dbraw/zinc/75/38/15/570753815.db2.gz HVJMTJAAYDLGPF-NRFANRHFSA-N 0 3 393.535 2.400 50 0 GEAAHN COc1ccc(C(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1OC ZINC000065365765 570761572 /nfs/dbraw/zinc/76/15/72/570761572.db2.gz URLVTVAJGMQAFT-UHFFFAOYSA-N 0 3 385.468 2.244 50 0 GEAAHN COc1cccc(OC[C@@H](O)CNc2ncnc3sc4c(c32)CCNC4)c1 ZINC000065384559 570763505 /nfs/dbraw/zinc/76/35/05/570763505.db2.gz VJZWSQZVCXYUSM-LBPRGKRZSA-N 0 3 386.477 2.197 50 0 GEAAHN O=C(Nc1cnns1)c1ccc(CN2CCC(N3CCOCC3)CC2)cc1 ZINC000065470557 570770153 /nfs/dbraw/zinc/77/01/53/570770153.db2.gz 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/nfs/dbraw/zinc/79/17/93/570791793.db2.gz WTZZQIXAIJJCNF-OAQYLSRUSA-N 0 3 379.545 2.088 50 0 GEAAHN Cc1cc(N2CCCC2)n2nc(CN3CCN(C4CCCCC4)CC3)nc2n1 ZINC000065311539 570792364 /nfs/dbraw/zinc/79/23/64/570792364.db2.gz SBEPEHHZWUQMDA-UHFFFAOYSA-N 0 3 383.544 2.483 50 0 GEAAHN COC(=O)[C@@H]1C[C@@H](N(C)C)CN1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067955946 570798534 /nfs/dbraw/zinc/79/85/34/570798534.db2.gz SUUVNHFDAMJMAH-MJGOQNOKSA-N 0 3 379.464 2.074 50 0 GEAAHN COCC(=O)N1CCC2(CC1)CN(CC[C@H](C)c1ccc(C)o1)CCN2C ZINC000067982907 570800034 /nfs/dbraw/zinc/80/00/34/570800034.db2.gz KAKZKXHRPCEOHI-KRWDZBQOSA-N 0 3 377.529 2.337 50 0 GEAAHN Cn1ccnc1-c1ccc(NCc2cccnc2N2CCCN(C)CC2)nn1 ZINC000071315064 570832247 /nfs/dbraw/zinc/83/22/47/570832247.db2.gz VWLZVUJECIBMLP-UHFFFAOYSA-N 0 3 378.484 2.026 50 0 GEAAHN CN1c2ccccc2[C@@](CC(=O)N2CCCNCC2)(Cc2ccccc2)C1=O ZINC000071763948 570850980 /nfs/dbraw/zinc/85/09/80/570850980.db2.gz NPWBZFFIDKIIGT-QHCPKHFHSA-N 0 3 377.488 2.356 50 0 GEAAHN COc1cccc(CN(CCN(C)C)C(=O)CCc2nc([C@H](C)OC)no2)c1 ZINC000170611654 570867410 /nfs/dbraw/zinc/86/74/10/570867410.db2.gz LOUSYGIUWQYMTR-HNNXBMFYSA-N 0 3 390.484 2.309 50 0 GEAAHN CNCC(=O)N1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072146685 570872009 /nfs/dbraw/zinc/87/20/09/570872009.db2.gz MIFJILACAMIARX-KRWDZBQOSA-N 0 3 384.446 2.038 50 0 GEAAHN COc1ccccc1[C@@H]1CN(c2cc(C(N)=O)ccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072161510 570875847 /nfs/dbraw/zinc/87/58/47/570875847.db2.gz JZOXBSJNYAMMEC-IOMROCGXSA-N 0 3 378.476 2.256 50 0 GEAAHN COCCN(C)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000072165442 570876356 /nfs/dbraw/zinc/87/63/56/570876356.db2.gz SMYSDUDWFKKNTE-HXUWFJFHSA-N 0 3 379.520 2.463 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[NH2+]C1 ZINC000071397445 570890343 /nfs/dbraw/zinc/89/03/43/570890343.db2.gz HQPJDGKOROKUHC-VIFPVBQESA-N 0 3 383.695 2.141 50 0 GEAAHN Cc1noc([C@@H]2CN(C(=O)c3n[nH]c4ccccc43)CC23CCN(C)CC3)n1 ZINC000097112955 570895883 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GEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000021793683 207238265 /nfs/dbraw/zinc/23/82/65/207238265.db2.gz JMDAKHBCNNVNBC-UHFFFAOYSA-N 0 3 395.463 2.076 50 0 GEAAHN OCC[C@@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1 ZINC000022932526 207264617 /nfs/dbraw/zinc/26/46/17/207264617.db2.gz JKVZOAYYSSAHOQ-OAQYLSRUSA-N 0 3 391.519 2.379 50 0 GEAAHN CC(C)/C=C/C(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000022913689 207263654 /nfs/dbraw/zinc/26/36/54/207263654.db2.gz QMNOEJSYZSHOLA-NNWNWJIHSA-N 0 3 385.552 2.021 50 0 GEAAHN O=C(Cc1n[nH]c(=O)c2ccccc12)NC[C@H](c1cccs1)N1CCCC1 ZINC000023174892 207271176 /nfs/dbraw/zinc/27/11/76/207271176.db2.gz ZZLAMYJCVCPEKL-QGZVFWFLSA-N 0 3 382.489 2.480 50 0 GEAAHN C[C@H](N)C(=O)N1CCC(n2cc(CN3CC=C(c4ccccc4)CC3)nn2)CC1 ZINC000023581258 207280421 /nfs/dbraw/zinc/28/04/21/207280421.db2.gz YQJSCRSVKSZYFG-KRWDZBQOSA-N 0 3 394.523 2.078 50 0 GEAAHN CCN1CCN(Cc2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000040115259 207342303 /nfs/dbraw/zinc/34/23/03/207342303.db2.gz RPMTWWDNLLJLBB-UHFFFAOYSA-N 0 3 381.476 2.483 50 0 GEAAHN Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072423148 208023465 /nfs/dbraw/zinc/02/34/65/208023465.db2.gz MQNSIUWFFBZHQC-OAQYLSRUSA-N 0 3 387.528 2.002 50 0 GEAAHN Cc1n[nH]c(C2CC2)c1C(=O)N1CCC[C@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072423148 208023470 /nfs/dbraw/zinc/02/34/70/208023470.db2.gz MQNSIUWFFBZHQC-OAQYLSRUSA-N 0 3 387.528 2.002 50 0 GEAAHN O=C(c1[nH]nc2ccccc21)N1CCN(CCc2ccccc2)[C@H](CCO)C1 ZINC000072434494 208023706 /nfs/dbraw/zinc/02/37/06/208023706.db2.gz CKDRWFNSROSUHN-GOSISDBHSA-N 0 3 378.476 2.314 50 0 GEAAHN CN1CCCN(Cc2ccc(C(=O)N[C@@H]3CCCc4ccccc43)c(=O)[nH]2)CC1 ZINC000077303394 208038652 /nfs/dbraw/zinc/03/86/52/208038652.db2.gz MPTBHHMKPDEWBA-OAQYLSRUSA-N 0 3 394.519 2.320 50 0 GEAAHN O=C1CCCN1c1ccc(Cn2cnc3sc4c(c3c2=O)CCNC4)cc1 ZINC000077454963 208043658 /nfs/dbraw/zinc/04/36/58/208043658.db2.gz SQZJCFSUCKJDIX-UHFFFAOYSA-N 0 3 380.473 2.279 50 0 GEAAHN CN1CCN(CCC(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)CC1 ZINC000082097615 208079406 /nfs/dbraw/zinc/07/94/06/208079406.db2.gz RHJKCPZROZQBNL-NRFANRHFSA-N 0 3 395.551 2.275 50 0 GEAAHN CC(=O)c1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)c1 ZINC000082136941 208082043 /nfs/dbraw/zinc/08/20/43/208082043.db2.gz NVKIXUSZQMDFJE-QFIPXVFZSA-N 0 3 385.508 2.296 50 0 GEAAHN CCCN1CCC[C@@]2(CCN(Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000091535277 208124240 /nfs/dbraw/zinc/12/42/40/208124240.db2.gz UUVLDDFKBRDGGI-IBGZPJMESA-N 0 3 378.542 2.204 50 0 GEAAHN Cn1nc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)c2c1cccc2Cl ZINC000091769685 208136727 /nfs/dbraw/zinc/13/67/27/208136727.db2.gz MHWICUQAPBWFJV-IBGZPJMESA-N 0 3 375.904 2.013 50 0 GEAAHN COCCN1CC2(CCC1=O)CCN(CCOc1ccccc1OC)CC2 ZINC000091441612 208118860 /nfs/dbraw/zinc/11/88/60/208118860.db2.gz WZWUILGHAYGNPZ-UHFFFAOYSA-N 0 3 376.497 2.425 50 0 GEAAHN CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@H]1CC[N@H+](C)C1 ZINC000091547014 208121518 /nfs/dbraw/zinc/12/15/18/208121518.db2.gz WPBXZHVCDFYDEI-NSHDSACASA-N 0 3 395.290 2.444 50 0 GEAAHN CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@H]1CC[N@@H+](C)C1 ZINC000091547014 208121522 /nfs/dbraw/zinc/12/15/22/208121522.db2.gz WPBXZHVCDFYDEI-NSHDSACASA-N 0 3 395.290 2.444 50 0 GEAAHN CCc1cc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 ZINC000095358762 208159757 /nfs/dbraw/zinc/15/97/57/208159757.db2.gz WMMZPMREOMOXAG-ZLGUVYLKSA-N 0 3 394.475 2.403 50 0 GEAAHN CCN(CC)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095362949 208164059 /nfs/dbraw/zinc/16/40/59/208164059.db2.gz FIDWOUBJIXBJSS-MTNREXPMSA-N 0 3 385.508 2.146 50 0 GEAAHN COc1ccc2[nH]c(CN3C[C@H]4CC[C@@H]3CN(CC(=O)N(C)C)C4)c(C)c2c1 ZINC000095383822 208171158 /nfs/dbraw/zinc/17/11/58/208171158.db2.gz YJEIGZLIEUCQGP-DLBZAZTESA-N 0 3 384.524 2.469 50 0 GEAAHN COCCc1noc(CN2C[C@H]3CC[C@@H]2CN(Cc2ccc(OC)cc2)C3)n1 ZINC000095383690 208172183 /nfs/dbraw/zinc/17/21/83/208172183.db2.gz SDKMAWIBUVICNN-ZWKOTPCHSA-N 0 3 386.496 2.364 50 0 GEAAHN COC(=O)N1CCC(Oc2ccc(C(=O)NCCN(C)C)cc2Cl)CC1 ZINC000095502505 208205554 /nfs/dbraw/zinc/20/55/54/208205554.db2.gz MOFPPSNBDJEBMW-UHFFFAOYSA-N 0 3 383.876 2.241 50 0 GEAAHN CCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000095513096 208212603 /nfs/dbraw/zinc/21/26/03/208212603.db2.gz DCUAAEJJKFMSPE-UHFFFAOYSA-N 0 3 396.491 2.467 50 0 GEAAHN Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC[C@@H]1CCN1CCN(C)CC1 ZINC000095521077 208220168 /nfs/dbraw/zinc/22/01/68/208220168.db2.gz DFHKRGPAVMEWIL-GOSISDBHSA-N 0 3 387.528 2.118 50 0 GEAAHN Cc1cc(C)n(CC(=O)N(CCc2ccccc2)C[C@@H]2CCCN(C)C2)c(=O)n1 ZINC000095531610 208228817 /nfs/dbraw/zinc/22/88/17/208228817.db2.gz LNOFDJYQCOZSRD-OAQYLSRUSA-N 0 3 396.535 2.273 50 0 GEAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)N1CCCC1 ZINC000095530950 208228850 /nfs/dbraw/zinc/22/88/50/208228850.db2.gz WAXLAVBLYKBQGV-GOSISDBHSA-N 0 3 383.533 2.353 50 0 GEAAHN CCNC(=O)c1ccc(C)c(NC(=O)NC2CCN(C[C@H](O)CC)CC2)c1 ZINC000095996495 208251008 /nfs/dbraw/zinc/25/10/08/208251008.db2.gz VTTJBSWNMMLNDL-QGZVFWFLSA-N 0 3 376.501 2.102 50 0 GEAAHN Cn1cnc(S(=O)(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)CN(C)C3)c1 ZINC000096165969 208281312 /nfs/dbraw/zinc/28/13/12/208281312.db2.gz TYCDWYAQNGSMMP-GOSISDBHSA-N 0 3 388.537 2.310 50 0 GEAAHN Cc1noc(C)c1CN1CCC2(CCN(Cc3cncn3C)CC2)[C@@H](CO)C1 ZINC000097334309 208354963 /nfs/dbraw/zinc/35/49/63/208354963.db2.gz FQRHPWAOHRJTHP-GOSISDBHSA-N 0 3 387.528 2.122 50 0 GEAAHN CCOC(=O)CN1CCC2(CCN(Cc3ccccc3F)CC2)[C@H](CO)C1 ZINC000097822889 208363184 /nfs/dbraw/zinc/36/31/84/208363184.db2.gz SSKLZEHGBZQGKW-SFHVURJKSA-N 0 3 378.488 2.285 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2cccc(-n3cnnc3)n2)C1 ZINC000097813750 208363835 /nfs/dbraw/zinc/36/38/35/208363835.db2.gz ZCNUQYFUIIYYPE-KRWDZBQOSA-N 0 3 376.464 2.190 50 0 GEAAHN CN1CCCN(C(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)CC1 ZINC000098077664 208368441 /nfs/dbraw/zinc/36/84/41/208368441.db2.gz GATVZYPLQHVEMH-UHFFFAOYSA-N 0 3 388.518 2.351 50 0 GEAAHN COc1ccc(-n2c(O)c3onc(-c4ccc(OC)cc4OC)c3c2O)cc1 ZINC000101358936 208392240 /nfs/dbraw/zinc/39/22/40/208392240.db2.gz RPILUIRERNLRNA-WMZOPIPTSA-N 0 3 382.372 2.005 50 0 GEAAHN CSc1ccccc1CN1CCC(CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000096025880 209006901 /nfs/dbraw/zinc/00/69/01/209006901.db2.gz QHOYDOYLAPDPAZ-UHFFFAOYSA-N 0 3 394.566 2.333 50 0 GEAAHN O=S(=O)(c1ccc2c(c1)CCCC2)N1CCC(N2CCC[C@@H]2CO)CC1 ZINC000096099752 209007848 /nfs/dbraw/zinc/00/78/48/209007848.db2.gz GAQSOXRRLNJQEB-LJQANCHMSA-N 0 3 378.538 2.175 50 0 GEAAHN NC(=O)[C@H]1CCCN(Cc2ccc3c(c2)CN(Cc2ccncc2)CCO3)C1 ZINC000299791981 209091030 /nfs/dbraw/zinc/09/10/30/209091030.db2.gz CQISAPVWZPCJQO-IBGZPJMESA-N 0 3 380.492 2.174 50 0 GEAAHN CCn1c(CN2CCC[C@@H](C(=O)N3CCN(CC)CC3)C2)nc2ccccc21 ZINC000249695363 209033036 /nfs/dbraw/zinc/03/30/36/209033036.db2.gz QVZYHWBOARCSJE-GOSISDBHSA-N 0 3 383.540 2.432 50 0 GEAAHN Nc1nc([C@H]2C[C@@H](O)C2)cc(N2CCC(N3CCc4ccccc4C3)CC2)n1 ZINC000252536535 209036637 /nfs/dbraw/zinc/03/66/37/209036637.db2.gz IVDFKVBPOOXTRC-IZAXUBKRSA-N 0 3 379.508 2.324 50 0 GEAAHN CO[C@H]1CC[C@@]2(OC)CCN(Cc3ccc(OCC(N)=O)c(Cl)c3)[C@H]2C1 ZINC000426369896 533261882 /nfs/dbraw/zinc/26/18/82/533261882.db2.gz HLGPGGOQXMQBJG-UCLAIMLFSA-N 0 3 382.888 2.363 50 0 GEAAHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)CN(C)C(C)C)C3)C2=O)c1 ZINC000426634330 533479423 /nfs/dbraw/zinc/47/94/23/533479423.db2.gz RTKAMMQVJDVQHF-JOCHJYFZSA-N 0 3 387.524 2.377 50 0 GEAAHN Cc1cc(C)c2c(n1)nc(C(=O)NCCN1CCCC1)nc2N1CCCCC1 ZINC000065232039 136160618 /nfs/dbraw/zinc/16/06/18/136160618.db2.gz POKYCGRQJFABRC-UHFFFAOYSA-N 0 3 382.512 2.458 50 0 GEAAHN O=C(CCS(=O)(=O)c1ccccc1)NCC1CCN(c2ccncc2)CC1 ZINC000070928726 136165366 /nfs/dbraw/zinc/16/53/66/136165366.db2.gz JKFQUNMCRGRGMK-UHFFFAOYSA-N 0 3 387.505 2.278 50 0 GEAAHN O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cn2cncn2)cc1 ZINC000072405787 136169554 /nfs/dbraw/zinc/16/95/54/136169554.db2.gz WBHBTLKXDAYYGI-UHFFFAOYSA-N 0 3 390.491 2.477 50 0 GEAAHN CCOc1ccc(CN2CCN(c3cc(C)nc(NC)n3)C[C@@H]2CCO)cc1 ZINC000072438006 136170615 /nfs/dbraw/zinc/17/06/15/136170615.db2.gz NNTHBAUFWLKRCO-SFHVURJKSA-N 0 3 385.512 2.299 50 0 GEAAHN c1nc2ncnc(N3CCC(NCc4cc(-c5ccccn5)no4)CC3)c2[nH]1 ZINC000095528846 136181670 /nfs/dbraw/zinc/18/16/70/136181670.db2.gz SIVRWEXWUHNZKG-UHFFFAOYSA-N 0 3 376.424 2.162 50 0 GEAAHN COCc1nc(C2CC([NH3+])C2)cc(N2CCC(c3cc(=O)[n-]c(C)n3)CC2)n1 ZINC000222329635 136204755 /nfs/dbraw/zinc/20/47/55/136204755.db2.gz OSPFGHPZLAEFTG-UHFFFAOYSA-N 0 3 384.484 2.016 50 0 GEAAHN COc1ccccc1-n1cc(CN2CCC[C@@H](c3ccn(CCO)n3)C2)cn1 ZINC000426428759 533928781 /nfs/dbraw/zinc/92/87/81/533928781.db2.gz KDPIDVTYTSTGBM-GOSISDBHSA-N 0 3 381.480 2.449 50 0 GEAAHN COc1nccc(N2CCC(CC(=O)NCCN3CCCCCC3)CC2)n1 ZINC000065281991 537145128 /nfs/dbraw/zinc/14/51/28/537145128.db2.gz YBSQHFKTQCMXJS-UHFFFAOYSA-N 0 3 375.517 2.084 50 0 GEAAHN CN(C)C[C@H](CNC(=O)Nc1cccnc1-n1cccn1)[C@H](O)c1ccccc1 ZINC000048197871 570219827 /nfs/dbraw/zinc/21/98/27/570219827.db2.gz IJLPNWQUPPHISL-PKOBYXMFSA-N 0 3 394.479 2.300 50 0 GEAAHN CCNC(=O)N1C[C@H](C(=O)NCCN2CCCC2)C[C@H](c2cccc(C)c2)C1 ZINC000034710509 570303172 /nfs/dbraw/zinc/30/31/72/570303172.db2.gz QKVUMRQDIITGAK-VQTJNVASSA-N 0 3 386.540 2.342 50 0 GEAAHN Cc1ccccc1-n1nnnc1SCC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000016222889 570320127 /nfs/dbraw/zinc/32/01/27/570320127.db2.gz YFCJSLPHPCJKPP-SFHVURJKSA-N 0 3 396.520 2.482 50 0 GEAAHN COC(=O)C[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 ZINC000247862124 570326410 /nfs/dbraw/zinc/32/64/10/570326410.db2.gz WKDOKAJMYXLYHS-FRYIKTPZSA-N 0 3 378.428 2.064 50 0 GEAAHN CC[C@@H](C(=O)NCCCN(C)Cc1ccccc1)N1c2cc(C)nn2CCC1=O ZINC000035374391 570363344 /nfs/dbraw/zinc/36/33/44/570363344.db2.gz CMVRXKPVVSWUGO-IBGZPJMESA-N 0 3 397.523 2.345 50 0 GEAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)NC(=O)NCc1ccccc1 ZINC000022931838 570379845 /nfs/dbraw/zinc/37/98/45/570379845.db2.gz FLYPBTAPBHACOE-UHFFFAOYSA-N 0 3 380.492 2.220 50 0 GEAAHN CCCCN(CC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969208 570383977 /nfs/dbraw/zinc/38/39/77/570383977.db2.gz OEFRIRCOISSTEK-UHFFFAOYSA-N 0 3 381.542 2.386 50 0 GEAAHN Cc1ccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)NCCN(C)C)cc1C ZINC000006725074 570490355 /nfs/dbraw/zinc/49/03/55/570490355.db2.gz PKCYVTNMTJKFLV-OAQYLSRUSA-N 0 3 382.464 2.178 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)cc1NC(C)=O ZINC000007728807 570513783 /nfs/dbraw/zinc/51/37/83/570513783.db2.gz BTTAGCKJCFGMHS-UHFFFAOYSA-N 0 3 383.514 2.054 50 0 GEAAHN CC[C@H](C(=O)NCCN1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839411 570560739 /nfs/dbraw/zinc/56/07/39/570560739.db2.gz UJWQHQWJUOYJNR-GOSISDBHSA-N 0 3 395.507 2.441 50 0 GEAAHN Cn1cnnc1Sc1ccc(CN2CCN(C3CCCC3)[C@H](CCO)C2)o1 ZINC000036385749 570564468 /nfs/dbraw/zinc/56/44/68/570564468.db2.gz CCBQFWIHVAMBDB-MRXNPFEDSA-N 0 3 391.541 2.371 50 0 GEAAHN CC(C)S(=O)(=O)Oc1ccc(CN(CCN(C)C)C(=O)C2CCC2)cc1 ZINC000006766164 570576759 /nfs/dbraw/zinc/57/67/59/570576759.db2.gz UEQFPDFKORZSGR-UHFFFAOYSA-N 0 3 382.526 2.494 50 0 GEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)C[C@@H]1CCC(=O)N1 ZINC000012031050 570599471 /nfs/dbraw/zinc/59/94/71/570599471.db2.gz SPXRAANFFMKCGD-SFHVURJKSA-N 0 3 375.488 2.207 50 0 GEAAHN O=C(CN1C(=O)CSc2ncccc21)NCCCN1CCc2ccccc2C1 ZINC000006802567 570604358 /nfs/dbraw/zinc/60/43/58/570604358.db2.gz LYGHBDQCYQGDPW-UHFFFAOYSA-N 0 3 396.516 2.085 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCn2cncn2)C1 ZINC000012209833 570626416 /nfs/dbraw/zinc/62/64/16/570626416.db2.gz PYOFZXSCJZZMGD-GOSISDBHSA-N 0 3 385.512 2.090 50 0 GEAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CCC(C)C)CC3)cc1 ZINC000012217905 570627086 /nfs/dbraw/zinc/62/70/86/570627086.db2.gz ITWAGAQKWUXCJA-UHFFFAOYSA-N 0 3 385.512 2.163 50 0 GEAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNC[C@@H]1COCCO1 ZINC000012305371 570638560 /nfs/dbraw/zinc/63/85/60/570638560.db2.gz XPHHCVUEYIPVIJ-QGZVFWFLSA-N 0 3 386.496 2.164 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000045744847 570648599 /nfs/dbraw/zinc/64/85/99/570648599.db2.gz UBCBNKDPOMCLQA-CQSZACIVSA-N 0 3 383.514 2.054 50 0 GEAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(CN3CCSCC3)cc2)[nH]1 ZINC000048135084 570655809 /nfs/dbraw/zinc/65/58/09/570655809.db2.gz BGXVJKCNJTZURE-UHFFFAOYSA-N 0 3 381.505 2.425 50 0 GEAAHN CN(CCc1ccccn1)[C@@H]1CCN(Cc2ccc3nsnc3c2)C[C@H]1O ZINC000012435486 570662203 /nfs/dbraw/zinc/66/22/03/570662203.db2.gz OCEZPTLSJZZBHQ-WOJBJXKFSA-N 0 3 383.521 2.196 50 0 GEAAHN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@@H]12 ZINC000229685918 570666377 /nfs/dbraw/zinc/66/63/77/570666377.db2.gz OCWDLWLLGYKUBS-IRXDYDNUSA-N 0 3 377.510 2.027 50 0 GEAAHN O=C1NCN(c2ccccc2)C12CCN(C[C@@H]1COc3ccccc3O1)CC2 ZINC000053113560 570674117 /nfs/dbraw/zinc/67/41/17/570674117.db2.gz JVGBTTIJPBFLTE-GOSISDBHSA-N 0 3 379.460 2.255 50 0 in-man GEAAHN COC(=O)CCC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000012587114 570685491 /nfs/dbraw/zinc/68/54/91/570685491.db2.gz OSLSOMARGKSZMN-KRWDZBQOSA-N 0 3 376.497 2.361 50 0 GEAAHN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000058142206 570710986 /nfs/dbraw/zinc/71/09/86/570710986.db2.gz IPYHDHMZUQHRTK-IOASZLSFSA-N 0 3 395.912 2.122 50 0 GEAAHN COc1ccc([C@H](CNC(=O)CN2c3ccccc3OCCC2=O)N(C)C)cc1 ZINC000012791637 570714287 /nfs/dbraw/zinc/71/42/87/570714287.db2.gz ZNPHFMNGOITQTJ-IBGZPJMESA-N 0 3 397.475 2.230 50 0 GEAAHN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(N2CCCN(C)CC2)nc1 ZINC000058226000 570721849 /nfs/dbraw/zinc/72/18/49/570721849.db2.gz IKCGPARMOXZPMB-HRAATJIYSA-N 0 3 396.491 2.068 50 0 GEAAHN O=C(NCCN1CCCC1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256297 570755131 /nfs/dbraw/zinc/75/51/31/570755131.db2.gz MRDVJXGRXSPQPV-FQEVSTJZSA-N 0 3 379.508 2.058 50 0 GEAAHN CC1=NC2(CCN(Cc3ccc(C(=O)Nc4cccnc4)cc3)CC2)C(=O)N1 ZINC000065394539 570765057 /nfs/dbraw/zinc/76/50/57/570765057.db2.gz ZXZZGFXQGPYQMB-UHFFFAOYSA-N 0 3 377.448 2.217 50 0 GEAAHN CSc1ccccc1NC(=O)CCC(=O)N1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000065461797 570769773 /nfs/dbraw/zinc/76/97/73/570769773.db2.gz CMIOGPXLCZKOBB-IRXDYDNUSA-N 0 3 391.537 2.185 50 0 GEAAHN Cc1nnc(SCCCn2cnc3sc4c(c3c2=O)CCNC4)s1 ZINC000065496736 570770620 /nfs/dbraw/zinc/77/06/20/570770620.db2.gz WIBOLQWCYBFXEG-UHFFFAOYSA-N 0 3 379.536 2.446 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)n1 ZINC000067604236 570783327 /nfs/dbraw/zinc/78/33/27/570783327.db2.gz IDIOLZLPRYHFIQ-UHFFFAOYSA-N 0 3 376.411 2.483 50 0 GEAAHN Cc1nc(CCNC[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)no1 ZINC000067727461 570788369 /nfs/dbraw/zinc/78/83/69/570788369.db2.gz HGPOUUDHCGAIQO-NRFANRHFSA-N 0 3 386.496 2.187 50 0 GEAAHN CCn1c(=O)n(CCN(C)C)nc1[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000067803061 570791677 /nfs/dbraw/zinc/79/16/77/570791677.db2.gz UZRSPWGBTGPBQG-INIZCTEOSA-N 0 3 386.500 2.038 50 0 GEAAHN COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c1 ZINC000067805877 570792624 /nfs/dbraw/zinc/79/26/24/570792624.db2.gz WHYQCILRTPMMFL-IBGZPJMESA-N 0 3 394.479 2.084 50 0 GEAAHN COc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)c1 ZINC000067805877 570792625 /nfs/dbraw/zinc/79/26/25/570792625.db2.gz WHYQCILRTPMMFL-IBGZPJMESA-N 0 3 394.479 2.084 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@@](O)(CNCCc3cnccn3)C2=O)cc1 ZINC000067834269 570793685 /nfs/dbraw/zinc/79/36/85/570793685.db2.gz GWZVVMJBBOWTCB-JOCHJYFZSA-N 0 3 382.508 2.286 50 0 GEAAHN CN1CCC(O)(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)CC1 ZINC000067886274 570796263 /nfs/dbraw/zinc/79/62/63/570796263.db2.gz KMWJYLFUFNFGPD-UHFFFAOYSA-N 0 3 397.834 2.233 50 0 GEAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000065329563 570800933 /nfs/dbraw/zinc/80/09/33/570800933.db2.gz AMASODLUFIZSCW-KRWDZBQOSA-N 0 3 394.475 2.395 50 0 GEAAHN CC[C@H](CNC(=O)c1cnc2sccn2c1=O)N1CCc2ccccc2C1 ZINC000032818565 570831181 /nfs/dbraw/zinc/83/11/81/570831181.db2.gz OJVWIGBNRPALPV-MRXNPFEDSA-N 0 3 382.489 2.323 50 0 GEAAHN COc1ccc(CNc2nn3c(nc(CN4CCCC[C@H]4C)cc3=O)[nH]2)cc1 ZINC000101796288 570834259 /nfs/dbraw/zinc/83/42/59/570834259.db2.gz PYQAYWCWPBYZAC-CQSZACIVSA-N 0 3 382.468 2.413 50 0 GEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[N@@H+]2CCCC[C@H]2C)cc3=O)cc1 ZINC000101796288 570834260 /nfs/dbraw/zinc/83/42/60/570834260.db2.gz PYQAYWCWPBYZAC-CQSZACIVSA-N 0 3 382.468 2.413 50 0 GEAAHN COc1ccc(CNc2nn3c([n-]2)nc(C[N@H+]2CCCC[C@H]2C)cc3=O)cc1 ZINC000101796288 570834261 /nfs/dbraw/zinc/83/42/61/570834261.db2.gz PYQAYWCWPBYZAC-CQSZACIVSA-N 0 3 382.468 2.413 50 0 GEAAHN CCN1CCN([C@H]2CCN(CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607420 570864393 /nfs/dbraw/zinc/86/43/93/570864393.db2.gz WHNNZQAAFVGQQR-FQEVSTJZSA-N 0 3 399.583 2.327 50 0 GEAAHN CCN1CCC[C@H]1CNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 ZINC000072147990 570872693 /nfs/dbraw/zinc/87/26/93/570872693.db2.gz XBTGOTSWCRZNSX-INIZCTEOSA-N 0 3 380.496 2.339 50 0 GEAAHN O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1nnc(-c2ccccc2)[n-]1 ZINC000015062075 570874744 /nfs/dbraw/zinc/87/47/44/570874744.db2.gz DHJQNQHLJGPYEG-QFIPXVFZSA-N 0 3 397.523 2.495 50 0 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O=C1OCC[C@H]1N1CCC(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000245070472 209027000 /nfs/dbraw/zinc/02/70/00/209027000.db2.gz QLDHOTBRMWHJQM-MRXNPFEDSA-N 0 3 398.429 2.002 50 0 GEAAHN CC[C@H]1CN(C(=O)c2ccc(OC)c(N3CCOCC3)c2)CCN1C(C)C ZINC000091452075 136176463 /nfs/dbraw/zinc/17/64/63/136176463.db2.gz KUSSBNDEXRXSDW-SFHVURJKSA-N 0 3 375.513 2.477 50 0 GEAAHN CC[C@H]1CN(CCC(=O)N2CCc3n[nH]cc3C2)Cc2cc(OC)ccc2O1 ZINC000299772353 209086003 /nfs/dbraw/zinc/08/60/03/209086003.db2.gz ZJTXRPMATPRPPZ-KRWDZBQOSA-N 0 3 384.480 2.366 50 0 GEAAHN COc1cc(CNC(=O)N2CCCO[C@@H](CN3CCCC3)C2)cc(OC)c1 ZINC000426724044 533842373 /nfs/dbraw/zinc/84/23/73/533842373.db2.gz UNXMWUPMSFJPFA-IBGZPJMESA-N 0 3 377.485 2.100 50 0 GEAAHN CCN(CC)CC(=O)N1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426593560 528086374 /nfs/dbraw/zinc/08/63/74/528086374.db2.gz DZUXECVYMRLBIA-QFIPXVFZSA-N 0 3 387.524 2.378 50 0 GEAAHN CCc1cc(N2CCC(N3CCN(CCCCOC)CC3)CC2)nc(C)n1 ZINC000096138013 536145250 /nfs/dbraw/zinc/14/52/50/536145250.db2.gz FSDAHXCMOMMERI-UHFFFAOYSA-N 0 3 375.561 2.360 50 0 GEAAHN COc1ccc([C@@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 ZINC000237282889 570219654 /nfs/dbraw/zinc/21/96/54/570219654.db2.gz YHUFBYVXJHFDGV-IBGZPJMESA-N 0 3 388.512 2.212 50 0 GEAAHN C[C@@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048354914 570243118 /nfs/dbraw/zinc/24/31/18/570243118.db2.gz BJRODCVOCYYIBG-JTDSTZFVSA-N 0 3 378.538 2.215 50 0 GEAAHN CCN(C)C1(CNS(=O)(=O)c2cccc(C(=O)N(C)C)c2)CCCCC1 ZINC000215552194 570289692 /nfs/dbraw/zinc/28/96/92/570289692.db2.gz IOTZFJRQDIHXIV-UHFFFAOYSA-N 0 3 381.542 2.321 50 0 GEAAHN CCNC(=O)N1C[C@@H](c2cccc(C)c2)C[C@H](C(=O)NCCN2CCCC2)C1 ZINC000034710507 570303037 /nfs/dbraw/zinc/30/30/37/570303037.db2.gz QKVUMRQDIITGAK-PMACEKPBSA-N 0 3 386.540 2.342 50 0 GEAAHN O=C(NCCN1CCCCCC1)c1ccc(CN2c3ccnn3CCC2=O)cc1 ZINC000035373679 570346003 /nfs/dbraw/zinc/34/60/03/570346003.db2.gz BBHMCFYDIJOAEL-UHFFFAOYSA-N 0 3 395.507 2.426 50 0 GEAAHN COc1cc(CN[C@H]2COc3ccccc3C2)cc(Cl)c1OCC(N)=O ZINC000237440165 570359657 /nfs/dbraw/zinc/35/96/57/570359657.db2.gz KWCRDKJSKJLYOP-CQSZACIVSA-N 0 3 376.840 2.306 50 0 GEAAHN Cc1cc(Cl)ccc1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000004741258 570401077 /nfs/dbraw/zinc/40/10/77/570401077.db2.gz SZOMIKNPWZUVFZ-UHFFFAOYSA-N 0 3 392.931 2.393 50 0 GEAAHN CC(C)[C@H](CNC(=O)COc1ccc(C(N)=O)cc1)N1CCc2ccccc2C1 ZINC000064290886 570412619 /nfs/dbraw/zinc/41/26/19/570412619.db2.gz GHNIWUJRUNTGCZ-NRFANRHFSA-N 0 3 395.503 2.363 50 0 GEAAHN CN1CCC(O)(CNC(=O)c2cc(-c3ccncc3)nc3ccccc32)CC1 ZINC000072306587 570523366 /nfs/dbraw/zinc/52/33/66/570523366.db2.gz ZHQUMWRMCQGCTQ-UHFFFAOYSA-N 0 3 376.460 2.483 50 0 GEAAHN O=S(=O)(c1ccccc1)N1CCN(C[C@@H]2NCCc3c(F)cccc32)CC1 ZINC000035287352 570551185 /nfs/dbraw/zinc/55/11/85/570551185.db2.gz VATNXOZIFSHXHL-FQEVSTJZSA-N 0 3 389.496 2.019 50 0 GEAAHN CC[C@@H](C(=O)NCCN1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839410 570560663 /nfs/dbraw/zinc/56/06/63/570560663.db2.gz UJWQHQWJUOYJNR-SFHVURJKSA-N 0 3 395.507 2.441 50 0 GEAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cccnc2OC)CC1 ZINC000011816780 570584307 /nfs/dbraw/zinc/58/43/07/570584307.db2.gz PSOCASUWELGLRZ-SFHVURJKSA-N 0 3 391.512 2.070 50 0 GEAAHN O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000011816475 570584415 /nfs/dbraw/zinc/58/44/15/570584415.db2.gz NFCIAHZCRNAZHJ-QGZVFWFLSA-N 0 3 388.471 2.285 50 0 GEAAHN CCCN1CCCN(c2ccc(C(=O)N(CC)Cc3nccn3C)cn2)CC1 ZINC000011933759 570592919 /nfs/dbraw/zinc/59/29/19/570592919.db2.gz MVTVBQHRFPQKNJ-UHFFFAOYSA-N 0 3 384.528 2.400 50 0 GEAAHN O[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[C@H]1N1CCN(c2ccccn2)CC1 ZINC000012051743 570601034 /nfs/dbraw/zinc/60/10/34/570601034.db2.gz VZOKOYJSKHFWSE-NLDFZSAUSA-N 0 3 396.510 2.491 50 0 GEAAHN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@H]1CCn2ccnc2C1 ZINC000225671845 570601172 /nfs/dbraw/zinc/60/11/72/570601172.db2.gz ASMMMOCEXNBZCR-AWEZNQCLSA-N 0 3 399.886 2.250 50 0 GEAAHN Cc1ccccc1COc1cccc(CNCCNC(=O)c2nonc2N)c1 ZINC000040744509 570613668 /nfs/dbraw/zinc/61/36/68/570613668.db2.gz ANQWWBIDYJTEIJ-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN CCn1c2c(C(=O)Nc3ccc(Cl)cc3C)cnn2c(=O)c2c1CCNC2 ZINC000064966186 570618031 /nfs/dbraw/zinc/61/80/31/570618031.db2.gz WQWIRNYIEYOQCF-UHFFFAOYSA-N 0 3 385.855 2.376 50 0 GEAAHN CCn1ccnc1CN1CCC[C@@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012209550 570626472 /nfs/dbraw/zinc/62/64/72/570626472.db2.gz YDUOPSALEPKITC-SFHVURJKSA-N 0 3 375.561 2.448 50 0 GEAAHN CCC(CC)CN1CCc2nnc([C@@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000012245369 570630525 /nfs/dbraw/zinc/63/05/25/570630525.db2.gz WUKGHTMBSPYVLF-OAHLLOKOSA-N 0 3 377.533 2.176 50 0 GEAAHN C[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000045744770 570648711 /nfs/dbraw/zinc/64/87/11/570648711.db2.gz FZMWMAOYVCAUMZ-INIZCTEOSA-N 0 3 379.526 2.214 50 0 GEAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000012469744 570672115 /nfs/dbraw/zinc/67/21/15/570672115.db2.gz OWRGFIMBCOMCJP-SFHVURJKSA-N 0 3 376.460 2.431 50 0 GEAAHN COC(=O)CCC(=O)N(C)C[C@H]1CCCN(CCc2ccccc2OC)C1 ZINC000012587120 570685706 /nfs/dbraw/zinc/68/57/06/570685706.db2.gz OSLSOMARGKSZMN-QGZVFWFLSA-N 0 3 376.497 2.361 50 0 GEAAHN CCOc1ccc(CN(CCOC)C(=O)C2CCN(CCOC)CC2)cc1 ZINC000055386436 570693764 /nfs/dbraw/zinc/69/37/64/570693764.db2.gz WZRZHABMIYKAEE-UHFFFAOYSA-N 0 3 378.513 2.419 50 0 GEAAHN O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000012805011 570718345 /nfs/dbraw/zinc/71/83/45/570718345.db2.gz PCALOISXSZAULS-MRXNPFEDSA-N 0 3 398.488 2.117 50 0 GEAAHN CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000007006947 570739347 /nfs/dbraw/zinc/73/93/47/570739347.db2.gz XTGNZUAMAZBKCB-UHFFFAOYSA-N 0 3 399.557 2.361 50 0 GEAAHN CCN1CCN(CCCNC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000065245484 570746709 /nfs/dbraw/zinc/74/67/09/570746709.db2.gz PLQZHCNFJLNIJA-UHFFFAOYSA-N 0 3 384.524 2.325 50 0 GEAAHN O=C(CCc1nnc(C(=O)Nc2ccc(F)cc2)s1)NCCN1CCCC1 ZINC000033061960 570748323 /nfs/dbraw/zinc/74/83/23/570748323.db2.gz JNONCXQEDLDNDU-UHFFFAOYSA-N 0 3 391.472 2.074 50 0 GEAAHN Cc1cccc(-c2ncc(CNCCC(=O)N3CCN(C(C)C)CC3)cn2)c1 ZINC000063883425 570752616 /nfs/dbraw/zinc/75/26/16/570752616.db2.gz KYLHHTYSSSTIRK-UHFFFAOYSA-N 0 3 381.524 2.484 50 0 GEAAHN Cc1ccc(C)c(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c1 ZINC000065363491 570760607 /nfs/dbraw/zinc/76/06/07/570760607.db2.gz QWPRDCVNTHCUAZ-UHFFFAOYSA-N 0 3 389.525 2.392 50 0 GEAAHN O=C(c1cc(-c2ccc(Cl)cc2)nc2ncnn21)N1CCN2CCC[C@@H]2C1 ZINC000036619539 570761846 /nfs/dbraw/zinc/76/18/46/570761846.db2.gz MBECZNJZMFYGIM-OAHLLOKOSA-N 0 3 382.855 2.365 50 0 GEAAHN CCN1CCN(CCCNC(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1 ZINC000065274386 570776509 /nfs/dbraw/zinc/77/65/09/570776509.db2.gz GDXLIWWNRRTKCN-UHFFFAOYSA-N 0 3 392.507 2.154 50 0 GEAAHN C[C@@H](Cn1ccnc1)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067473359 570780410 /nfs/dbraw/zinc/78/04/10/570780410.db2.gz IZIJCDKGSDQOQP-SFHVURJKSA-N 0 3 377.496 2.178 50 0 GEAAHN COc1cc(NC(=O)Cc2c(O)nc3[nH]c4ccccc4n32)cc(OC)c1OC ZINC000013723675 570780868 /nfs/dbraw/zinc/78/08/68/570780868.db2.gz JBWQLHRWXLASSS-AWEZNQCLSA-N 0 3 396.403 2.238 50 0 GEAAHN COc1cc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc(OC)c1OC ZINC000013723675 570780873 /nfs/dbraw/zinc/78/08/73/570780873.db2.gz JBWQLHRWXLASSS-AWEZNQCLSA-N 0 3 396.403 2.238 50 0 GEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000067612991 570783731 /nfs/dbraw/zinc/78/37/31/570783731.db2.gz AWKGFOAHTUVDIO-MRXNPFEDSA-N 0 3 387.933 2.095 50 0 GEAAHN COCCn1cnnc1[C@H](C)Nc1nc(-c2ccccc2)nc2c1CCNC2 ZINC000067675744 570785715 /nfs/dbraw/zinc/78/57/15/570785715.db2.gz RLGHPSZAKPWFAS-AWEZNQCLSA-N 0 3 379.468 2.200 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cc(C(N)=O)ccc3C)cnn2c1 ZINC000067784890 570791353 /nfs/dbraw/zinc/79/13/53/570791353.db2.gz ATQHEEGKTJMHCA-UHFFFAOYSA-N 0 3 380.452 2.231 50 0 GEAAHN Cc1n[nH]c(C)c1CCNC[C@@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067803999 570791656 /nfs/dbraw/zinc/79/16/56/570791656.db2.gz NQEGNMWDBSAQLH-NRFANRHFSA-N 0 3 376.545 2.483 50 0 GEAAHN COc1ccc(F)c(CN2CCC[C@@](O)(CN3CCC(F)(F)CC3)C2=O)c1 ZINC000067804589 570792110 /nfs/dbraw/zinc/79/21/10/570792110.db2.gz CSWSUFVIZITZNS-GOSISDBHSA-N 0 3 386.414 2.419 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3cccc(C(N)=O)c3C)cnn2c1 ZINC000067982323 570799607 /nfs/dbraw/zinc/79/96/07/570799607.db2.gz OLLATIPSULEAHU-UHFFFAOYSA-N 0 3 380.452 2.231 50 0 GEAAHN O=C(CCN1CCC(O)(Cn2ccnc2)CC1)Nc1nc2ccccc2s1 ZINC000065530628 570830415 /nfs/dbraw/zinc/83/04/15/570830415.db2.gz HYPRWQNLKGQZRE-UHFFFAOYSA-N 0 3 385.493 2.349 50 0 GEAAHN CN(CCNC(=O)CN1N=C(c2ccccc2)CCC1=O)Cc1ccccc1 ZINC000004688093 570834024 /nfs/dbraw/zinc/83/40/24/570834024.db2.gz MJQQDPRBTIPWJG-UHFFFAOYSA-N 0 3 378.476 2.261 50 0 GEAAHN Cc1nc(SCC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 ZINC000071439976 570835308 /nfs/dbraw/zinc/83/53/08/570835308.db2.gz HWXIQTADTXRGTA-BHIYHBOVSA-N 0 3 383.521 2.294 50 0 GEAAHN Cc1nnc(SCC(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)[nH]1 ZINC000071439976 570835311 /nfs/dbraw/zinc/83/53/11/570835311.db2.gz HWXIQTADTXRGTA-BHIYHBOVSA-N 0 3 383.521 2.294 50 0 GEAAHN COc1[nH]c2cn(C3CCCC3)c(=O)c-2cc1CNC(=O)[C@H](C)N1CCCC1 ZINC000071479642 570837794 /nfs/dbraw/zinc/83/77/94/570837794.db2.gz DQXBKCIGACWCGP-AWEZNQCLSA-N 0 3 386.496 2.089 50 0 GEAAHN COc1cccc(CN2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c1OCCN1CCOCC1 ZINC000071749500 570846138 /nfs/dbraw/zinc/84/61/38/570846138.db2.gz GANFUSNSAQTDHL-JVSBHGNQSA-N 0 3 388.508 2.015 50 0 GEAAHN c1ccc2c(c1)OC[C@H](CNc1nc(-c3cccnc3)nc3c1CCNC3)O2 ZINC000072129654 570868065 /nfs/dbraw/zinc/86/80/65/570868065.db2.gz CMYWNTOIQAFOTG-HNNXBMFYSA-N 0 3 375.432 2.436 50 0 GEAAHN COc1ccccc1[C@@H]1CN(c2nc(C(N)=O)cs2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072153825 570873707 /nfs/dbraw/zinc/87/37/07/570873707.db2.gz FBIGYOTZNUYOBG-BMGDILEWSA-N 0 3 384.505 2.317 50 0 GEAAHN CN1CCC(Cc2noc(-c3cn(C[C@H]4COc5ccccc5O4)nn3)n2)CC1 ZINC000072155018 570874273 /nfs/dbraw/zinc/87/42/73/570874273.db2.gz CUXCPNXEHOOXNU-HNNXBMFYSA-N 0 3 396.451 2.052 50 0 GEAAHN O=C(Cn1cnc2ccccc2c1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015582622 570898041 /nfs/dbraw/zinc/89/80/41/570898041.db2.gz YIHIYPBNAGSRDK-UHFFFAOYSA-N 0 3 376.460 2.177 50 0 GEAAHN COc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)c2)cc1C(C)=O ZINC000534590800 570906087 /nfs/dbraw/zinc/90/60/87/570906087.db2.gz OXPZKKGKWXUMBE-PMACEKPBSA-N 0 3 382.460 2.312 50 0 GEAAHN CCN1CCC(NC(=O)CSc2nnc(-c3ccccc3F)n2C)CC1 ZINC000010616034 570936253 /nfs/dbraw/zinc/93/62/53/570936253.db2.gz BTYQLKAMCALTJH-UHFFFAOYSA-N 0 3 377.489 2.314 50 0 GEAAHN CCOC(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000032933167 570945991 /nfs/dbraw/zinc/94/59/91/570945991.db2.gz SZFJBZPIKLSQEN-QGZVFWFLSA-N 0 3 377.460 2.338 50 0 GEAAHN CCN1CCN(CCNC(=O)c2cccc(-n3c(C)nc4cccnc43)c2)CC1 ZINC000032931886 570946608 /nfs/dbraw/zinc/94/66/08/570946608.db2.gz SLWYSUVTOYGZLM-UHFFFAOYSA-N 0 3 392.507 2.096 50 0 GEAAHN O=C(CCn1cnc2sccc2c1=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000012767298 571018813 /nfs/dbraw/zinc/01/88/13/571018813.db2.gz ZIGLYSAVDHSMSF-INIZCTEOSA-N 0 3 382.489 2.239 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1 ZINC000007719212 571020701 /nfs/dbraw/zinc/02/07/01/571020701.db2.gz KGVFFOVVALBELB-UHFFFAOYSA-N 0 3 387.505 2.484 50 0 GEAAHN CN(C)Cc1ccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)cc1 ZINC000012771178 571025153 /nfs/dbraw/zinc/02/51/53/571025153.db2.gz BWKRPWPIDGJUMY-UHFFFAOYSA-N 0 3 379.460 2.327 50 0 GEAAHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC(N2CCOCC2)CC1 ZINC000426412462 231217306 /nfs/dbraw/zinc/21/73/06/231217306.db2.gz UEKKLWUZLKJBLW-HXUWFJFHSA-N 0 3 386.540 2.157 50 0 GEAAHN O=C(NCCc1cccc(Cl)c1)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000426358695 231206877 /nfs/dbraw/zinc/20/68/77/231206877.db2.gz ZCLQZXMCTBUFFM-IBGZPJMESA-N 0 3 376.932 2.304 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000426545087 231238355 /nfs/dbraw/zinc/23/83/55/231238355.db2.gz OKNYMSUBABNQST-IBGZPJMESA-N 0 3 394.523 2.106 50 0 GEAAHN CO[C@]12CCN(Cc3cn(CCO)nc3C)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426562994 231240850 /nfs/dbraw/zinc/24/08/50/231240850.db2.gz ASYVEMMYRLUXIX-IRFCIJBXSA-N 0 3 386.496 2.170 50 0 GEAAHN O=C(NCc1cccs1)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023127524 531594609 /nfs/dbraw/zinc/59/46/09/531594609.db2.gz JXPZMOKROKEMND-UHFFFAOYSA-N 0 3 377.535 2.454 50 0 GEAAHN COCCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000046176233 531699242 /nfs/dbraw/zinc/69/92/42/531699242.db2.gz MDKCVQYJDRDYBX-NSHDSACASA-N 0 3 386.857 2.061 50 0 GEAAHN O=C(NCCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000013942860 207004549 /nfs/dbraw/zinc/00/45/49/207004549.db2.gz GXGCQHUXLFQTPQ-UHFFFAOYSA-N 0 3 379.932 2.391 50 0 GEAAHN C/C=C(\C)CN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000014879018 207031450 /nfs/dbraw/zinc/03/14/50/207031450.db2.gz JUUDCXQXHXBDND-DEKXCNBGSA-N 0 3 383.496 2.359 50 0 GEAAHN COc1cc(OC)cc(C(=O)NC[C@@H]2CCCN(Cc3cnn(C)c3C)C2)c1 ZINC000014958303 207032777 /nfs/dbraw/zinc/03/27/77/207032777.db2.gz 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CN(C)CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000091594091 208124748 /nfs/dbraw/zinc/12/47/48/208124748.db2.gz NYGHTRGDXHLFDM-UHFFFAOYSA-N 0 3 375.488 2.161 50 0 GEAAHN C[C@@H]1CN(Cc2ccccc2OCCN2CCN(C)CC2)CC[C@@]1(O)C1CC1 ZINC000091594442 208125222 /nfs/dbraw/zinc/12/52/22/208125222.db2.gz XSKWJUDIQALZLW-XXBNENTESA-N 0 3 387.568 2.296 50 0 GEAAHN CN(C)CCN(Cc1ccccc1)C(=O)c1cnc(-c2cccnc2)nc1O ZINC000091645926 208129162 /nfs/dbraw/zinc/12/91/62/208129162.db2.gz PRIBQGIQEOWPRO-UHFFFAOYSA-N 0 3 377.448 2.448 50 0 GEAAHN O=C(c1cc(-c2ccccc2)[nH]n1)N1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000095356616 208158209 /nfs/dbraw/zinc/15/82/09/208158209.db2.gz MOUABUFJVWZPKT-NQIIRXRSSA-N 0 3 398.507 2.012 50 0 GEAAHN CCN1CCN(C[C@@H]2CN(c3cc(C(F)(F)F)cc(C)n3)C[C@@H]2CO)CC1 ZINC000095388282 208174927 /nfs/dbraw/zinc/17/49/27/208174927.db2.gz ZBGZCEXBQLRLRR-HZPDHXFCSA-N 0 3 386.462 2.091 50 0 GEAAHN Cc1nccn1CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095363587 208164260 /nfs/dbraw/zinc/16/42/60/208164260.db2.gz DISCYVHPLAUJLR-MTNREXPMSA-N 0 3 394.475 2.009 50 0 GEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nnc(C3CC3)o1)C2 ZINC000095380573 208173728 /nfs/dbraw/zinc/17/37/28/208173728.db2.gz COMJKFCDIOVLAI-OPYAIIAOSA-N 0 3 390.528 2.286 50 0 GEAAHN Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c(F)c1F ZINC000091877179 208140581 /nfs/dbraw/zinc/14/05/81/208140581.db2.gz ZTPSGZXUAIXTJP-AEFFLSMTSA-N 0 3 395.494 2.124 50 0 GEAAHN COc1c(C)cnc(CN2CC[C@H](N3CCOCC3)[C@H](CCCO)C2)c1C ZINC000091914916 208141710 /nfs/dbraw/zinc/14/17/10/208141710.db2.gz RZHZRYLCCUFHEL-QUCCMNQESA-N 0 3 377.529 2.002 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc4ncccc4c3)C[C@H]2CCCO)CC1 ZINC000091915019 208141916 /nfs/dbraw/zinc/14/19/16/208141916.db2.gz VCEXWGJUBPVQEA-IRLDBZIGSA-N 0 3 396.535 2.085 50 0 GEAAHN CS(=O)(=O)N1CC[C@]2(O)CCN(Cc3cc4ccccc4s3)C[C@@H]2C1 ZINC000091965504 208144554 /nfs/dbraw/zinc/14/45/54/208144554.db2.gz DMHBOKQIBFBHDD-CRAIPNDOSA-N 0 3 380.535 2.120 50 0 GEAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3ccc(C)c(C)c3)C2)cn1 ZINC000095392272 208177929 /nfs/dbraw/zinc/17/79/29/208177929.db2.gz SSCLAMWZWVBALZ-MOPGFXCFSA-N 0 3 380.492 2.487 50 0 GEAAHN CS(=O)(=O)c1ccc(CN2C[C@H]3CC[C@@H]2CN(C2CCOCC2)C3)cc1 ZINC000095391631 208178085 /nfs/dbraw/zinc/17/80/85/208178085.db2.gz AAYYMSDKUINTDC-IEBWSBKVSA-N 0 3 378.538 2.165 50 0 GEAAHN C[C@H](N)C(=O)N1CCC(Oc2ccc(C(=O)NCCc3ccccc3)cc2)CC1 ZINC000095508622 208210109 /nfs/dbraw/zinc/21/01/09/208210109.db2.gz YYEMAKGZSUNUMF-KRWDZBQOSA-N 0 3 395.503 2.376 50 0 GEAAHN COc1ccc(CCN2CCC(CN(C)S(=O)(=O)N3CCCC3)CC2)cc1 ZINC000095509487 208210403 /nfs/dbraw/zinc/21/04/03/208210403.db2.gz FBHXGLJJGNUEKA-UHFFFAOYSA-N 0 3 395.569 2.222 50 0 GEAAHN COc1ccc(CN2CCOC(C)(C)C2)c(OC[C@H](O)CN2CCCC2)c1 ZINC000095497636 208197285 /nfs/dbraw/zinc/19/72/85/208197285.db2.gz RWNUKWOBGLGGFP-GOSISDBHSA-N 0 3 378.513 2.142 50 0 GEAAHN C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3n[n-]nc3c2)C1 ZINC000095521897 208218702 /nfs/dbraw/zinc/21/87/02/208218702.db2.gz XHNUIFVUGCESPU-MRXNPFEDSA-N 0 3 381.484 2.126 50 0 GEAAHN COc1cc(CN2CCCCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000095519992 208219429 /nfs/dbraw/zinc/21/94/29/208219429.db2.gz CSOQTFUSVFNDBY-SFHVURJKSA-N 0 3 380.554 2.470 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3cnc4ccccn4c3=O)C[C@H]2N(C)C)cc1 ZINC000095525477 208222747 /nfs/dbraw/zinc/22/27/47/208222747.db2.gz AYNSFECJGVNWMK-RBUKOAKNSA-N 0 3 376.460 2.173 50 0 GEAAHN COc1ccc(CN(C)Cc2cc[nH]n2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095525865 208223201 /nfs/dbraw/zinc/22/32/01/208223201.db2.gz UWYMTAGWVMDGIX-LJQANCHMSA-N 0 3 388.512 2.276 50 0 GEAAHN Cn1c(Cn2cccn2)nnc1C1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000096141200 208271295 /nfs/dbraw/zinc/27/12/95/208271295.db2.gz ZZDRZRNRVGHCHJ-UHFFFAOYSA-N 0 3 380.452 2.168 50 0 GEAAHN CNS(=O)(=O)c1cccc(CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000095995522 208251840 /nfs/dbraw/zinc/25/18/40/208251840.db2.gz LYEUVLODHPQWPC-RHSMWYFYSA-N 0 3 397.541 2.330 50 0 GEAAHN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCN(C)C)C3)no2)cc1 ZINC000096210155 208285601 /nfs/dbraw/zinc/28/56/01/208285601.db2.gz HFFBWSKMHSVBGH-QGZVFWFLSA-N 0 3 384.480 2.180 50 0 GEAAHN COc1ccc2occ(C3CC(=O)Oc4nc5ccccn5c(=O)c43)c(=O)c2c1 ZINC000096223349 208289267 /nfs/dbraw/zinc/28/92/67/208289267.db2.gz OBTJLDAXBPBDCR-GFCCVEGCSA-N 0 3 390.351 2.251 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2cccc(-n3cnnc3)n2)C1 ZINC000097813749 208364193 /nfs/dbraw/zinc/36/41/93/208364193.db2.gz ZCNUQYFUIIYYPE-QGZVFWFLSA-N 0 3 376.464 2.190 50 0 GEAAHN CCCn1ncnc1[C@@H](C)NC(=O)CCN1CCN(c2cccc(C)c2)CC1 ZINC000299803186 209094018 /nfs/dbraw/zinc/09/40/18/209094018.db2.gz ZMTYZHWBQDTWCB-GOSISDBHSA-N 0 3 384.528 2.386 50 0 GEAAHN COc1ccc(N2C[C@H](NC(=O)NCCN(C)Cc3ccccc3)CC2=O)cc1 ZINC000005191508 220841679 /nfs/dbraw/zinc/84/16/79/220841679.db2.gz GABNQQVMKAASCB-GOSISDBHSA-N 0 3 396.491 2.232 50 0 GEAAHN CC[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012553767 221205669 /nfs/dbraw/zinc/20/56/69/221205669.db2.gz RWLDHCGIMQXDSC-SFHVURJKSA-N 0 3 393.553 2.092 50 0 GEAAHN COc1ccc(CCS(=O)(=O)NCC2CCN(c3ccncc3)CC2)cc1 ZINC000070922224 136165321 /nfs/dbraw/zinc/16/53/21/136165321.db2.gz CYNUMGOOPBRUCP-UHFFFAOYSA-N 0 3 389.521 2.469 50 0 GEAAHN O[C@H]1CN(c2nc3ccccc3s2)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000072151068 136167012 /nfs/dbraw/zinc/16/70/12/136167012.db2.gz URHACAHOCQXMDO-IRXDYDNUSA-N 0 3 381.505 2.063 50 0 GEAAHN Cc1ccc(N2CCC(N3CCN[C@@H](C(=O)NC4CC4)C3)CC2)cc1Cl ZINC000072170532 136167422 /nfs/dbraw/zinc/16/74/22/136167422.db2.gz DFBZPXWJZZYVGQ-LJQANCHMSA-N 0 3 376.932 2.170 50 0 GEAAHN NC1(C(=O)N2CCC[C@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000072168795 136167490 /nfs/dbraw/zinc/16/74/90/136167490.db2.gz WPJGFYPXROMPDG-KRWDZBQOSA-N 0 3 396.457 2.310 50 0 GEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1ncnc3c1CCC3)C2 ZINC000077357818 136171884 /nfs/dbraw/zinc/17/18/84/136171884.db2.gz MZXPOQNNVNXEAI-HMFYCAOWSA-N 0 3 386.540 2.309 50 0 GEAAHN CN(C)[C@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000089314169 136175596 /nfs/dbraw/zinc/17/55/96/136175596.db2.gz NCGSWECIHTWABX-KRWDZBQOSA-N 0 3 389.459 2.104 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000095512663 136180624 /nfs/dbraw/zinc/18/06/24/136180624.db2.gz AWAMSSGWYVXBRG-LJQANCHMSA-N 0 3 379.512 2.469 50 0 GEAAHN CN(C)CCOc1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000095958570 136182758 /nfs/dbraw/zinc/18/27/58/136182758.db2.gz QOCIMQVEYFZEHJ-UHFFFAOYSA-N 0 3 383.496 2.026 50 0 GEAAHN O=C(NCCOCCO)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000426395960 534376837 /nfs/dbraw/zinc/37/68/37/534376837.db2.gz OAGMGZCGSJFXAQ-OAQYLSRUSA-N 0 3 375.513 2.083 50 0 GEAAHN CCN(C)C(=O)CN1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000426489856 529121314 /nfs/dbraw/zinc/12/13/14/529121314.db2.gz CHQYIWAVFOGPQM-FQEVSTJZSA-N 0 3 379.451 2.258 50 0 GEAAHN CCCCS(=O)(=O)N1CCN(c2cc(N3CCCCC3)nc(C)n2)CC1 ZINC000065363235 535335243 /nfs/dbraw/zinc/33/52/43/535335243.db2.gz 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ZINC000036708038 570568154 /nfs/dbraw/zinc/56/81/54/570568154.db2.gz IVPMDCKEQDBHFK-UHFFFAOYSA-N 0 3 393.850 2.256 50 0 GEAAHN COCCN1CCC[C@@H](CNC(=O)c2cc(COc3ccc(C)nc3)on2)C1 ZINC000011667258 570579000 /nfs/dbraw/zinc/57/90/00/570579000.db2.gz NHGAVORUXNAGQJ-INIZCTEOSA-N 0 3 388.468 2.045 50 0 GEAAHN COCCNC(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C ZINC000011782249 570582532 /nfs/dbraw/zinc/58/25/32/570582532.db2.gz KNEFOBDPFKMSLH-UHFFFAOYSA-N 0 3 377.514 2.274 50 0 GEAAHN COc1ccccc1CN1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011911418 570592245 /nfs/dbraw/zinc/59/22/45/570592245.db2.gz TWBMNUFEJSWISN-SFHVURJKSA-N 0 3 398.507 2.372 50 0 GEAAHN CN1CCN(C)[C@H](CC(=O)N2CCC(CCC(=O)Nc3ccccc3)CC2)C1 ZINC000039479115 570592244 /nfs/dbraw/zinc/59/22/44/570592244.db2.gz QJTSJRQTRMGJPA-HXUWFJFHSA-N 0 3 386.540 2.280 50 0 GEAAHN COc1ccccc1CN1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000011911419 570592308 /nfs/dbraw/zinc/59/23/08/570592308.db2.gz TWBMNUFEJSWISN-GOSISDBHSA-N 0 3 398.507 2.372 50 0 GEAAHN CN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C[C@@H]1CCn2ccnc2C1 ZINC000225671808 570600999 /nfs/dbraw/zinc/60/09/99/570600999.db2.gz ASMMMOCEXNBZCR-CQSZACIVSA-N 0 3 399.886 2.250 50 0 GEAAHN CCOC[C@H](O)CNC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 ZINC000012207929 570626669 /nfs/dbraw/zinc/62/66/69/570626669.db2.gz PTAJOINCQAKAQK-QGZVFWFLSA-N 0 3 394.512 2.074 50 0 GEAAHN O=S(=O)(c1ccc(-c2ccno2)s1)N1CCN(c2ccncc2)CC1 ZINC000012340509 570645116 /nfs/dbraw/zinc/64/51/16/570645116.db2.gz ARYLDLLXBNXXNQ-UHFFFAOYSA-N 0 3 376.463 2.309 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1NC(C)=O ZINC000045744848 570648555 /nfs/dbraw/zinc/64/85/55/570648555.db2.gz UBCBNKDPOMCLQA-AWEZNQCLSA-N 0 3 383.514 2.054 50 0 GEAAHN COCCN1CCC(CN(C[C@@H]2CCCO2)C(=O)c2cc(C3CC3)n[nH]2)CC1 ZINC000012445875 570666244 /nfs/dbraw/zinc/66/62/44/570666244.db2.gz BLQIVBPSXWRBFX-SFHVURJKSA-N 0 3 390.528 2.267 50 0 GEAAHN O=C(CN1C(=O)c2ccccc2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000015582519 570684898 /nfs/dbraw/zinc/68/48/98/570684898.db2.gz ZYANSSBVBDLRPC-UHFFFAOYSA-N 0 3 377.444 2.063 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cc2nonc2C)C1 ZINC000012714582 570703829 /nfs/dbraw/zinc/70/38/29/570703829.db2.gz XPECRGLAYICVDX-KRWDZBQOSA-N 0 3 386.496 2.342 50 0 GEAAHN O[C@@H](CN1CCOCC1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000058120616 570709933 /nfs/dbraw/zinc/70/99/33/570709933.db2.gz RJSXYSSAOKUVLJ-HSZRJFAPSA-N 0 3 395.547 2.087 50 0 GEAAHN NS(=O)(=O)c1ccc(CCNCC(=O)Nc2cccc3ccccc32)cc1 ZINC000006937470 570712442 /nfs/dbraw/zinc/71/24/42/570712442.db2.gz VHFAFEQDDNKFMJ-UHFFFAOYSA-N 0 3 383.473 2.258 50 0 GEAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 ZINC000059748055 570725196 /nfs/dbraw/zinc/72/51/96/570725196.db2.gz MMKYJPIXXXRHCW-HNNXBMFYSA-N 0 3 393.553 2.479 50 0 GEAAHN CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000058316122 570727040 /nfs/dbraw/zinc/72/70/40/570727040.db2.gz KFPDHYZPZSYHHW-VQTJNVASSA-N 0 3 378.513 2.463 50 0 GEAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1c2cccnc2n(-c2ccccc2)c1=O ZINC000065202544 570728808 /nfs/dbraw/zinc/72/88/08/570728808.db2.gz IMQKAPQKDAXMNU-QGZVFWFLSA-N 0 3 393.491 2.178 50 0 GEAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCN(C)C1CCCCC1 ZINC000007006886 570739316 /nfs/dbraw/zinc/73/93/16/570739316.db2.gz FWTSJBVFIKKCEE-UHFFFAOYSA-N 0 3 385.530 2.351 50 0 GEAAHN Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)c(C)n1C1CCN(C)CC1 ZINC000065257313 570755969 /nfs/dbraw/zinc/75/59/69/570755969.db2.gz OWMWJJLTEHHDRE-UHFFFAOYSA-N 0 3 382.512 2.124 50 0 GEAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc3nc(-c4ccccc4F)cn23)C1 ZINC000067742120 570789607 /nfs/dbraw/zinc/78/96/07/570789607.db2.gz KMIGUIGQJUBELX-OLZOCXBDSA-N 0 3 388.468 2.339 50 0 GEAAHN COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3ccc(C)o3)C2=O)c1 ZINC000067769696 570790112 /nfs/dbraw/zinc/79/01/12/570790112.db2.gz JVCPBVQDLJGNML-NRFANRHFSA-N 0 3 390.455 2.422 50 0 GEAAHN COc1ccc2cc(C(=O)[C@H]3CCCN(Cc4c[nH]c(=O)[nH]c4=O)C3)ccc2c1 ZINC000067790270 570791112 /nfs/dbraw/zinc/79/11/12/570791112.db2.gz FEBYGYUEDCGETD-KRWDZBQOSA-N 0 3 393.443 2.320 50 0 GEAAHN CCN(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccc2c(c1)OCO2 ZINC000032776791 570798846 /nfs/dbraw/zinc/79/88/46/570798846.db2.gz XKTCRMWCPVIPDF-UHFFFAOYSA-N 0 3 396.491 2.371 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc(N)nc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071405734 570832924 /nfs/dbraw/zinc/83/29/24/570832924.db2.gz SYFFVUADDYCDNQ-CEWLAPEOSA-N 0 3 378.476 2.375 50 0 GEAAHN O=C(CN1CCCCCC1=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071752219 570847444 /nfs/dbraw/zinc/84/74/44/570847444.db2.gz FZGRRBLYDOBZKG-WWPVKYPJSA-N 0 3 381.520 2.478 50 0 GEAAHN Cc1ccn2c(=O)cc(CN3CCC(=O)N(CC4CC4)[C@@H](C(C)C)C3)nc2c1 ZINC000071771421 570852533 /nfs/dbraw/zinc/85/25/33/570852533.db2.gz ZETRMZFMERUYFH-LJQANCHMSA-N 0 3 382.508 2.472 50 0 GEAAHN COc1ccc(C2=NN(CC(=O)NCCN3CCCCCC3)C(=O)CC2)cc1 ZINC000004712535 570858247 /nfs/dbraw/zinc/85/82/47/570858247.db2.gz PIRCCBBSGSGBQT-UHFFFAOYSA-N 0 3 386.496 2.014 50 0 GEAAHN CC[C@@H]1CN(CC(C)(C)O)[C@H](CC)CN1CC(=O)NC(=O)NC1CCCCC1 ZINC000170607318 570864447 /nfs/dbraw/zinc/86/44/47/570864447.db2.gz SBMBFSDOVIYPIW-QZTJIDSGSA-N 0 3 396.576 2.091 50 0 GEAAHN COc1ccccc1[C@@H]1CN(c2ncnc3nc[nH]c32)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072132147 570868570 /nfs/dbraw/zinc/86/85/70/570868570.db2.gz FQPLKVHZMQNRIU-KFKAGJAMSA-N 0 3 376.464 2.428 50 0 GEAAHN COc1ccc([C@@H]2CN(c3cc(C(N)=O)ccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072146781 570871985 /nfs/dbraw/zinc/87/19/85/570871985.db2.gz VCXNNWODMFDCRK-CEWLAPEOSA-N 0 3 378.476 2.256 50 0 GEAAHN CNCC(=O)N1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072146686 570872267 /nfs/dbraw/zinc/87/22/67/570872267.db2.gz MIFJILACAMIARX-QGZVFWFLSA-N 0 3 384.446 2.038 50 0 GEAAHN Cc1cc(C)c(OCCNC(=O)N2C[C@H](O)[C@@H](N3CCCCC3)C2)c(C)c1 ZINC000534579031 570902682 /nfs/dbraw/zinc/90/26/82/570902682.db2.gz XYGZXPVXSGCLIF-OALUTQOASA-N 0 3 375.513 2.231 50 0 GEAAHN O[C@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000107713485 570975276 /nfs/dbraw/zinc/97/52/76/570975276.db2.gz CECRSNAJQZBVTM-MRXNPFEDSA-N 0 3 382.386 2.155 50 0 GEAAHN Cc1ccccc1CN(C)C(=O)CN[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000252511383 570981107 /nfs/dbraw/zinc/98/11/07/570981107.db2.gz GEIXSHDTIQYZDK-XZOQPEGZSA-N 0 3 395.547 2.426 50 0 GEAAHN Cc1ccccc1CN1CCN(CCC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000025922763 570999861 /nfs/dbraw/zinc/99/98/61/570999861.db2.gz ONDXRASTKZCVEB-UHFFFAOYSA-N 0 3 380.492 2.240 50 0 GEAAHN Nc1ccncc1-c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000426518371 231233683 /nfs/dbraw/zinc/23/36/83/231233683.db2.gz SJDYZKGSCOQINP-LJQANCHMSA-N 0 3 380.492 2.488 50 0 GEAAHN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCCN1CCCC[C@H]1CO ZINC000426477301 529974767 /nfs/dbraw/zinc/97/47/67/529974767.db2.gz YFPVAGOZXXQDFN-SFHVURJKSA-N 0 3 389.475 2.204 50 0 GEAAHN CC(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1)S(C)(=O)=O ZINC000056915895 531815872 /nfs/dbraw/zinc/81/58/72/531815872.db2.gz SIDDIXIKXZLRND-CYBMUJFWSA-N 0 3 376.519 2.153 50 0 GEAAHN COCCN(C)[C@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014743511 207027688 /nfs/dbraw/zinc/02/76/88/207027688.db2.gz YJNSSDCGZHIURI-SFHVURJKSA-N 0 3 382.508 2.054 50 0 GEAAHN COc1ccccc1CCNCc1c(C(=O)N2CCOCC2)nc2ccccn21 ZINC000015065893 207042882 /nfs/dbraw/zinc/04/28/82/207042882.db2.gz SCYHPEHZBDIGPP-UHFFFAOYSA-N 0 3 394.475 2.148 50 0 GEAAHN CN1CCN(C(=O)CC[C@@H]2CCCN(Cc3ccc4nsnc4c3)C2)CC1 ZINC000015064288 207043460 /nfs/dbraw/zinc/04/34/60/207043460.db2.gz IXEGGBQDPYIALR-INIZCTEOSA-N 0 3 387.553 2.458 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 ZINC000015671228 207054170 /nfs/dbraw/zinc/05/41/70/207054170.db2.gz BPIXKFONLIDCQU-UHFFFAOYSA-N 0 3 395.916 2.015 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@H](NCCc3ccccc3F)C2=O)cc1 ZINC000018190012 207094502 /nfs/dbraw/zinc/09/45/02/207094502.db2.gz TUNLQNBGQQZHBQ-SFHVURJKSA-N 0 3 384.407 2.467 50 0 GEAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000018223092 207096483 /nfs/dbraw/zinc/09/64/83/207096483.db2.gz 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207163534 /nfs/dbraw/zinc/16/35/34/207163534.db2.gz ISUAOBLLWPCTBF-MOPGFXCFSA-N 0 3 377.529 2.016 50 0 GEAAHN CCc1ccc(CN2CCc3nnc(CCNC(=O)c4ccoc4)n3CC2)cc1 ZINC000019939532 207171242 /nfs/dbraw/zinc/17/12/42/207171242.db2.gz IVKXZKHYCMRQKN-UHFFFAOYSA-N 0 3 393.491 2.464 50 0 GEAAHN CC(=O)Nc1ccc(CN2CCC[C@@H](CCC(=O)N3CCN(C)CC3)C2)cc1 ZINC000020207628 207183519 /nfs/dbraw/zinc/18/35/19/207183519.db2.gz ROCBZLRBFNWGNY-IBGZPJMESA-N 0 3 386.540 2.411 50 0 GEAAHN O=C(CN1C[C@H](c2ccccc2)CC1=O)N1CCC(N2CCSCC2)CC1 ZINC000020293638 207187221 /nfs/dbraw/zinc/18/72/21/207187221.db2.gz AFTGVIFUIMHPNB-GOSISDBHSA-N 0 3 387.549 2.042 50 0 GEAAHN O=C(NCCN1CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000020512614 207199386 /nfs/dbraw/zinc/19/93/86/207199386.db2.gz OGHAPALCPNGXRZ-UHFFFAOYSA-N 0 3 379.504 2.307 50 0 GEAAHN CCN1CCN(CCCNc2nc(-c3cccc(OC)c3OC)no2)CC1 ZINC000021630945 207232610 /nfs/dbraw/zinc/23/26/10/207232610.db2.gz JOGUTGWRSXUOFC-UHFFFAOYSA-N 0 3 375.473 2.193 50 0 GEAAHN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CN2CCN(C)CC2)[C@@H]3CCC1 ZINC000022581847 207256639 /nfs/dbraw/zinc/25/66/39/207256639.db2.gz ZJUNKOUVYZCWIZ-XMSQKQJNSA-N 0 3 382.552 2.251 50 0 GEAAHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CN(CC(C)C)C(C)C ZINC000031582235 207382839 /nfs/dbraw/zinc/38/28/39/207382839.db2.gz QYHUGKOLXOGXTD-UHFFFAOYSA-N 0 3 385.530 2.250 50 0 GEAAHN COCCN1CC[C@@H](CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000426519374 532972891 /nfs/dbraw/zinc/97/28/91/532972891.db2.gz XSGYRRGPBKMBJK-INIZCTEOSA-N 0 3 379.476 2.347 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc(C)n1 ZINC000067602033 207894560 /nfs/dbraw/zinc/89/45/60/207894560.db2.gz ZQRHOAAMFZFTPS-UHFFFAOYSA-N 0 3 397.451 2.006 50 0 GEAAHN O=C(N1CCCC1)N1CCC(n2ccnc2-c2cc3n(n2)CCCNC3)CC1 ZINC000072426208 208021281 /nfs/dbraw/zinc/02/12/81/208021281.db2.gz RHOFYGWWPRCIML-UHFFFAOYSA-N 0 3 383.500 2.093 50 0 GEAAHN COc1cccc(CN2CCC[C@@]3(CCN(Cc4c[nH]cn4)C3)C2=O)c1OC ZINC000072448208 208027497 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O=C([C@H]1CCCN1C1CCOCC1)N1CCc2c(cccc2N2CCOC2=O)C1 ZINC000089800220 208108965 /nfs/dbraw/zinc/10/89/65/208108965.db2.gz GCHSEPBHMGRTNG-HXUWFJFHSA-N 0 3 399.491 2.171 50 0 GEAAHN c1nc2ncnc(N3C[C@@H](c4ccc5c(c4)OCO5)[C@@H]4[C@H]3C3CCN4CC3)c2[nH]1 ZINC000095356721 208158599 /nfs/dbraw/zinc/15/85/99/208158599.db2.gz BBHNKYBBLIAOTD-GDIGMMSISA-N 0 3 390.447 2.148 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000095358258 208162162 /nfs/dbraw/zinc/16/21/62/208162162.db2.gz IJAKIIKILIKVBW-INIZCTEOSA-N 0 3 378.480 2.408 50 0 GEAAHN CCCCSc1ncc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)cn1 ZINC000095367417 208162716 /nfs/dbraw/zinc/16/27/16/208162716.db2.gz YKKMZVADTBSLCE-IBGZPJMESA-N 0 3 377.558 2.155 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)C[C@@H]1CO ZINC000091876463 208142165 /nfs/dbraw/zinc/14/21/65/208142165.db2.gz JDLJYBIJNUFGIR-ZIAGYGMSSA-N 0 3 375.296 2.252 50 0 GEAAHN CN(C)CCN1C[C@@H](C(=O)N(C)Cc2ccccc2C(F)(F)F)CCC1=O ZINC000091997585 208143543 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Cc1n[nH]c(CCC(=O)N2CCC(c3nccn3Cc3cscn3)CC2)n1 ZINC000095499481 208202495 /nfs/dbraw/zinc/20/24/95/208202495.db2.gz OBKDGLXTZLENNY-UHFFFAOYSA-N 0 3 385.497 2.153 50 0 GEAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@@H]2CCCCn3nnnc32)CC1 ZINC000095502702 208203833 /nfs/dbraw/zinc/20/38/33/208203833.db2.gz BKKPNWZAWLCZDN-HXUWFJFHSA-N 0 3 396.539 2.354 50 0 GEAAHN O=C(NCCN1CCCC1)Nc1cc(C(=O)N2CCOCC2)ccc1Cl ZINC000095511186 208212905 /nfs/dbraw/zinc/21/29/05/208212905.db2.gz PKGYWEVRVMEKAN-UHFFFAOYSA-N 0 3 380.876 2.030 50 0 GEAAHN CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)CN3CCCCC3)c2)CC1 ZINC000095516725 208218140 /nfs/dbraw/zinc/21/81/40/208218140.db2.gz NZYWOFUZYRWLIY-HXUWFJFHSA-N 0 3 391.556 2.058 50 0 GEAAHN O=C1CC2(CN1Cc1cc(F)cc(F)c1)CCN(C[C@@H]1COCCO1)CC2 ZINC000095521848 208220088 /nfs/dbraw/zinc/22/00/88/208220088.db2.gz JRZWCCKWHCVOCV-GOSISDBHSA-N 0 3 380.435 2.195 50 0 GEAAHN CN(C)CCn1ccnc1C1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000095525152 208222604 /nfs/dbraw/zinc/22/26/04/208222604.db2.gz 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/nfs/dbraw/zinc/35/66/96/208356696.db2.gz QJGXIOIGSMFZSC-UHFFFAOYSA-N 0 3 376.530 2.033 50 0 GEAAHN CSCC(=O)N1CCC2(CCN(Cc3cccc(O)c3)CC2)[C@@H](CO)C1 ZINC000097732788 208362032 /nfs/dbraw/zinc/36/20/32/208362032.db2.gz NITCIMUEIHKCCA-QGZVFWFLSA-N 0 3 378.538 2.178 50 0 GEAAHN COc1ccc(-n2c(O)c3onc(-c4ccc(OC)cc4OC)c3c2O)cc1 ZINC000101230249 208389651 /nfs/dbraw/zinc/38/96/51/208389651.db2.gz RPILUIRERNLRNA-AEFFLSMTSA-N 0 3 382.372 2.005 50 0 GEAAHN CN(C)S(=O)(=O)CCCN1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000243892839 209021938 /nfs/dbraw/zinc/02/19/38/209021938.db2.gz ALVQUYHTEYAIOA-INIZCTEOSA-N 0 3 378.498 2.198 50 0 GEAAHN CCCN1CCN(C(=O)[C@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081928 209028730 /nfs/dbraw/zinc/02/87/30/209028730.db2.gz QKOAKWIVMLLXHV-SFHVURJKSA-N 0 3 383.540 2.340 50 0 GEAAHN COc1ccc2cc(CNCCCN3CCCC3=O)c(N3CCOCC3)nc2c1 ZINC000299790896 209088827 /nfs/dbraw/zinc/08/88/27/209088827.db2.gz BUGDLZDNFVGPLA-UHFFFAOYSA-N 0 3 398.507 2.182 50 0 GEAAHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCCN1CCCC[C@H]1CO ZINC000299790696 209088167 /nfs/dbraw/zinc/08/81/67/209088167.db2.gz BUCTYGKIWPGZRA-KRWDZBQOSA-N 0 3 376.501 2.102 50 0 GEAAHN O=C(Cc1n[nH]c(=O)c2ccccc12)NC1CCN(Cc2ccccc2)CC1 ZINC000007989296 221021434 /nfs/dbraw/zinc/02/14/34/221021434.db2.gz KFPMJHJJCMTPQK-UHFFFAOYSA-N 0 3 376.460 2.246 50 0 GEAAHN CN(C)Cc1ccccc1CNC(=O)c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC000012755016 221225348 /nfs/dbraw/zinc/22/53/48/221225348.db2.gz FVMJKLGUSBYMQZ-UHFFFAOYSA-N 0 3 376.460 2.334 50 0 GEAAHN CCN(CC)CC(=O)N1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000426593557 528087278 /nfs/dbraw/zinc/08/72/78/528087278.db2.gz DZUXECVYMRLBIA-JOCHJYFZSA-N 0 3 387.524 2.378 50 0 GEAAHN CN1CCN(c2ncc(CN(CCCO)[C@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741317 536425699 /nfs/dbraw/zinc/42/56/99/536425699.db2.gz GLVGMUZDJZUBBU-QFIPXVFZSA-N 0 3 395.551 2.490 50 0 GEAAHN O=C(CNCCc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000006086233 570240289 /nfs/dbraw/zinc/24/02/89/570240289.db2.gz 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CCN1CCN(c2nc3n[nH]c(N)c3c3c2CN(C2CCCCC2)CC3)CC1 ZINC000005209755 570506924 /nfs/dbraw/zinc/50/69/24/570506924.db2.gz WVVIHXRUTOHJJA-UHFFFAOYSA-N 0 3 383.544 2.373 50 0 GEAAHN Cc1ccc(-c2nnc(CCC(=O)NCCCN3CCC[C@H](O)C3)o2)s1 ZINC000011663001 570577352 /nfs/dbraw/zinc/57/73/52/570577352.db2.gz BMHHOVBWYXIWPS-AWEZNQCLSA-N 0 3 378.498 2.002 50 0 GEAAHN Cc1ccccc1NC(=O)c1nnc(CCCC(=O)NCCN(C)C)s1 ZINC000032995344 570577342 /nfs/dbraw/zinc/57/73/42/570577342.db2.gz RSXAZARIAJKFFC-UHFFFAOYSA-N 0 3 375.498 2.099 50 0 GEAAHN O=C([C@H]1CCC(=O)N(C2CC2)C1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000011814666 570583983 /nfs/dbraw/zinc/58/39/83/570583983.db2.gz LKOOESAKEPKUEA-IBGZPJMESA-N 0 3 381.520 2.437 50 0 GEAAHN COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cccnc2OC)CC1 ZINC000011816781 570584386 /nfs/dbraw/zinc/58/43/86/570584386.db2.gz PSOCASUWELGLRZ-GOSISDBHSA-N 0 3 391.512 2.070 50 0 GEAAHN CN(C)CCNC(=O)c1c(=O)n(C)nc(-c2ccccc2)c1-c1ccccc1 ZINC000012016325 570598371 /nfs/dbraw/zinc/59/83/71/570598371.db2.gz 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/nfs/dbraw/zinc/97/68/83/570976883.db2.gz SZBWKOHMBVKAKY-UHFFFAOYSA-N 0 3 398.503 2.355 50 0 GEAAHN COc1ccccc1N(C[C@H](O)CN(C)C)S(=O)(=O)c1ccc(C)cc1 ZINC000002205511 571003315 /nfs/dbraw/zinc/00/33/15/571003315.db2.gz FHGQAVHSGLTWNU-MRXNPFEDSA-N 0 3 378.494 2.121 50 0 GEAAHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@H](c1ccccc1)N1CCSCC1 ZINC000084519382 571020504 /nfs/dbraw/zinc/02/05/04/571020504.db2.gz JYNHXNAJQVOZLA-UXHICEINSA-N 0 3 389.565 2.146 50 0 GEAAHN O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000084519383 571020628 /nfs/dbraw/zinc/02/06/28/571020628.db2.gz JYNHXNAJQVOZLA-WOJBJXKFSA-N 0 3 389.565 2.146 50 0 GEAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)S(=O)(=O)N1CCCC1 ZINC000095523319 571088719 /nfs/dbraw/zinc/08/87/19/571088719.db2.gz OEEVRJYUZUPSDN-QGZVFWFLSA-N 0 3 383.533 2.353 50 0 GEAAHN O=C(NCc1nc2cc(F)ccc2[nH]1)N1CCCO[C@@H](CN2CCCC2)C1 ZINC000426377973 231210277 /nfs/dbraw/zinc/21/02/77/231210277.db2.gz KUGUYVFIBRUOEF-HNNXBMFYSA-N 0 3 375.448 2.098 50 0 GEAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1cccc(-c3cncc(C(N)=O)c3)c1)C2 ZINC000426511725 529810251 /nfs/dbraw/zinc/81/02/51/529810251.db2.gz QNQJAMCPGNFFOD-QFIPXVFZSA-N 0 3 378.476 2.405 50 0 GEAAHN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCC[C@@H](C(N)=O)C1 ZINC000426640571 529993316 /nfs/dbraw/zinc/99/33/16/529993316.db2.gz VNQCJAJPAXOZCM-CQSZACIVSA-N 0 3 386.418 2.044 50 0 GEAAHN COCCNC(=O)C(C)S(=O)(=O)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000046176235 531699946 /nfs/dbraw/zinc/69/99/46/531699946.db2.gz MDKCVQYJDRDYBX-LLVKDONJSA-N 0 3 386.857 2.061 50 0 GEAAHN O=C(CCNC(=O)c1ccc(Br)cc1)N1CCCN(C2CC2)CC1 ZINC000058169279 531828954 /nfs/dbraw/zinc/82/89/54/531828954.db2.gz YOYZSJWQJHWEPS-UHFFFAOYSA-N 0 3 394.313 2.266 50 0 GEAAHN COc1cc(CNC[C@H]2CN(C)CCO2)ccc1OCc1c(C)noc1C ZINC000105472440 206245451 /nfs/dbraw/zinc/24/54/51/206245451.db2.gz DJABGJHZRDUDJI-KRWDZBQOSA-N 0 3 375.469 2.299 50 0 GEAAHN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@@H](C)C(=O)NCCN(C)C ZINC000006807733 206680231 /nfs/dbraw/zinc/68/02/31/206680231.db2.gz 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GEAAHN Cc1cccc(-n2ccnc2CN2CCN(C3CCN(C)CC3)[C@@H](CCO)C2)c1 ZINC000019745113 207158290 /nfs/dbraw/zinc/15/82/90/207158290.db2.gz HVVIIFAXRPFWJN-QFIPXVFZSA-N 0 3 397.567 2.144 50 0 GEAAHN CN1CCN(Cc2c3c(c(CN4CCN(C)CC4)c4c2CCC4)CCC3)CC1 ZINC000019802245 207162369 /nfs/dbraw/zinc/16/23/69/207162369.db2.gz AHDMXNQQAYOPPT-UHFFFAOYSA-N 0 3 382.596 2.159 50 0 GEAAHN O=C(NCCCN1CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000020100357 207177328 /nfs/dbraw/zinc/17/73/28/207177328.db2.gz MOCWIFMWWNSHGX-UHFFFAOYSA-N 0 3 379.932 2.391 50 0 GEAAHN CCN1CCN(CCCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000020155647 207180421 /nfs/dbraw/zinc/18/04/21/207180421.db2.gz GJIXBXQETSWGIJ-UHFFFAOYSA-N 0 3 385.512 2.121 50 0 GEAAHN COc1ccc(CN2CCN(CCCn3cccn3)C[C@@H]2CCO)c(C)c1C ZINC000020543013 207202670 /nfs/dbraw/zinc/20/26/70/207202670.db2.gz OEBVFHSBAVHDEQ-NRFANRHFSA-N 0 3 386.540 2.467 50 0 GEAAHN COc1cccc(CNCc2cccn2-c2nnc(N3CCOCC3)s2)c1 ZINC000020576731 207204988 /nfs/dbraw/zinc/20/49/88/207204988.db2.gz 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CC(C)NC(=O)CN1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426358157 529130303 /nfs/dbraw/zinc/13/03/03/529130303.db2.gz BWTLEOYFLDKCJB-FQEVSTJZSA-N 0 3 379.451 2.304 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nc(C)n1 ZINC000065363389 535523100 /nfs/dbraw/zinc/52/31/00/535523100.db2.gz NAOHNJYIDFFADX-UHFFFAOYSA-N 0 3 395.916 2.381 50 0 GEAAHN OCCOc1cccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)c1 ZINC000104339683 570257247 /nfs/dbraw/zinc/25/72/47/570257247.db2.gz JUUOPUZTLFSGPL-JOCHJYFZSA-N 0 3 384.520 2.169 50 0 GEAAHN C[C@@H](NC(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1)C(N)=O ZINC000584903504 570273003 /nfs/dbraw/zinc/27/30/03/570273003.db2.gz NLCOWOUDMHRWBI-MRXNPFEDSA-N 0 3 380.492 2.491 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)Cn1c(C)csc1=O)c1cccc(OC)c1 ZINC000021071216 570289682 /nfs/dbraw/zinc/28/96/82/570289682.db2.gz FWQRONBCGHFWCE-KRWDZBQOSA-N 0 3 377.510 2.426 50 0 GEAAHN CN1CCC(OCCCNC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000584903711 570350258 /nfs/dbraw/zinc/35/02/58/570350258.db2.gz 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COc1ccc(CCN(C)[C@@H]2CCCN(S(=O)(=O)C(C)C)C2)cc1OC ZINC000012200074 570624179 /nfs/dbraw/zinc/62/41/79/570624179.db2.gz VVZJDGOCGWUSPU-QGZVFWFLSA-N 0 3 384.542 2.381 50 0 GEAAHN CC(C)CCN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000012280569 570632496 /nfs/dbraw/zinc/63/24/96/570632496.db2.gz LBDZWEDVBCFFJI-QGZVFWFLSA-N 0 3 385.512 2.439 50 0 GEAAHN Cc1ccn2c(c1)nc(C(=O)N1CCCCCC1)c2CNC[C@H]1COCCO1 ZINC000012305373 570638903 /nfs/dbraw/zinc/63/89/03/570638903.db2.gz XPHHCVUEYIPVIJ-KRWDZBQOSA-N 0 3 386.496 2.164 50 0 GEAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000062580126 570670345 /nfs/dbraw/zinc/67/03/45/570670345.db2.gz BOLFQRDNJHMMDZ-HZPDHXFCSA-N 0 3 390.434 2.360 50 0 GEAAHN COC(=O)CCC(=O)N(C)CC1CCN(CCc2ccccc2OC)CC1 ZINC000012459624 570670720 /nfs/dbraw/zinc/67/07/20/570670720.db2.gz OPSZNBNXCCKZIM-UHFFFAOYSA-N 0 3 376.497 2.361 50 0 GEAAHN CSc1nnc(CC2CCN(CCn3c4ccccc4oc3=O)CC2)n1C ZINC000055402398 570694432 /nfs/dbraw/zinc/69/44/32/570694432.db2.gz 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570795099 /nfs/dbraw/zinc/79/50/99/570795099.db2.gz QMLWZLJPQMFRMD-IBGZPJMESA-N 0 3 391.523 2.486 50 0 GEAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H](N)Cc2c[nH]cn2)CCO3)cc1 ZINC000067975382 570799627 /nfs/dbraw/zinc/79/96/27/570799627.db2.gz AXDWWNQGSDKRPA-IBGZPJMESA-N 0 3 392.459 2.382 50 0 GEAAHN Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H](N)Cc2cnc[nH]2)CCO3)cc1 ZINC000067975382 570799628 /nfs/dbraw/zinc/79/96/28/570799628.db2.gz AXDWWNQGSDKRPA-IBGZPJMESA-N 0 3 392.459 2.382 50 0 GEAAHN CN(C)Cc1cccc(CNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1 ZINC000033084401 570807243 /nfs/dbraw/zinc/80/72/43/570807243.db2.gz YUGWJIVEUWVRMK-UHFFFAOYSA-N 0 3 379.460 2.327 50 0 GEAAHN Cn1c2ccccc2nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000033085840 570807670 /nfs/dbraw/zinc/80/76/70/570807670.db2.gz UZTPJLKZAKBMFF-UHFFFAOYSA-N 0 3 376.460 2.328 50 0 GEAAHN CCOC(=O)N1CCC(Nc2nc(-c3ccncc3)nc3c2CCNC3)CC1 ZINC000071315546 570832374 /nfs/dbraw/zinc/83/23/74/570832374.db2.gz BFSHPADTLMHGTA-UHFFFAOYSA-N 0 3 382.468 2.217 50 0 GEAAHN CC(C)(C)OC[C@@H](O)CN1CCc2nc(Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000004720302 570859681 /nfs/dbraw/zinc/85/96/81/570859681.db2.gz LYGPEQMKZQTBTK-HNNXBMFYSA-N 0 3 389.471 2.034 50 0 GEAAHN COCCN1CCC(CNS(=O)(=O)c2ccc(OCC(C)C)cc2)CC1 ZINC000023127583 570913027 /nfs/dbraw/zinc/91/30/27/570913027.db2.gz GNXHMBIDAMTMPJ-UHFFFAOYSA-N 0 3 384.542 2.358 50 0 GEAAHN CN1C(=O)CCC12CCN(C(=O)N[C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000534651646 570914175 /nfs/dbraw/zinc/91/41/75/570914175.db2.gz XTKHGUQMVYIBFW-IBGZPJMESA-N 0 3 384.524 2.447 50 0 GEAAHN COCCN1CCC(NC(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 ZINC000252527996 570988514 /nfs/dbraw/zinc/98/85/14/570988514.db2.gz DXMHGMFPNBTCFG-UHFFFAOYSA-N 0 3 378.423 2.300 50 0 GEAAHN O=C(Cn1cc(Br)ccc1=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000046028637 571013517 /nfs/dbraw/zinc/01/35/17/571013517.db2.gz LNXUFFVABXVTQA-INIZCTEOSA-N 0 3 390.281 2.002 50 0 GEAAHN C/C(=C\c1ccco1)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000095516354 571083914 /nfs/dbraw/zinc/08/39/14/571083914.db2.gz GEYRYEQQFDPQMX-HFRUMSELSA-N 0 3 375.513 2.486 50 0 GEAAHN C/C(=C\c1ccco1)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](CCC(=O)[O-])C1 ZINC000095516354 571083920 /nfs/dbraw/zinc/08/39/20/571083920.db2.gz GEYRYEQQFDPQMX-HFRUMSELSA-N 0 3 375.513 2.486 50 0 GEAAHN Cc1cc(C)n(CCCN2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)n1 ZINC000426684377 231251895 /nfs/dbraw/zinc/25/18/95/231251895.db2.gz IUMCRFVKBMBWKI-LJQANCHMSA-N 0 3 385.560 2.494 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[NH2+]C1 ZINC000044502460 531682398 /nfs/dbraw/zinc/68/23/98/531682398.db2.gz AAQVOJXALSCJGT-SECBINFHSA-N 0 3 397.722 2.389 50 0 GEAAHN O=C1NCCN1C1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000051449892 531741690 /nfs/dbraw/zinc/74/16/90/531741690.db2.gz WURZVVDVSAJOSQ-AWEZNQCLSA-N 0 3 388.295 2.223 50 0 GEAAHN CC(C)CN1CCN(c2ncnc3c2Cc2ccccc2OC3)C[C@H]1CCO ZINC000225317114 206258999 /nfs/dbraw/zinc/25/89/99/206258999.db2.gz QTCBXNCNXVNHEE-GOSISDBHSA-N 0 3 382.508 2.489 50 0 GEAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1C(=O)c2ccccc2C1=O ZINC000003286322 206468017 /nfs/dbraw/zinc/46/80/17/206468017.db2.gz REYUHXOBPVHYBH-INIZCTEOSA-N 0 3 391.471 2.452 50 0 GEAAHN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CNC(C)(C)CC)c1 ZINC000009337892 206783637 /nfs/dbraw/zinc/78/36/37/206783637.db2.gz QQHAHFXQOAJLCQ-UHFFFAOYSA-N 0 3 385.530 2.442 50 0 GEAAHN CCN(CCO)C(=O)c1sc2ncnc(NCCN3CCCCC3)c2c1C ZINC000015001268 207041002 /nfs/dbraw/zinc/04/10/02/207041002.db2.gz XLQNQICLXAQDMW-UHFFFAOYSA-N 0 3 391.541 2.352 50 0 GEAAHN O[C@@H](COc1ccccc1CNCCc1ccccn1)CN1CCSCC1 ZINC000015073358 207043921 /nfs/dbraw/zinc/04/39/21/207043921.db2.gz MMUKRQHMMBDUKP-HXUWFJFHSA-N 0 3 387.549 2.202 50 0 GEAAHN COc1ccc([C@@H](CNC(=O)CNC(=O)c2ccccc2)N2CCCC2)cc1 ZINC000017911774 207090607 /nfs/dbraw/zinc/09/06/07/207090607.db2.gz QVBFQIJMQQFORA-HXUWFJFHSA-N 0 3 381.476 2.378 50 0 GEAAHN CN(Cc1ccccc1)C1(CNC(=O)C[C@@H]2CCC(=O)N2)Cc2ccccc2C1 ZINC000019595671 207144303 /nfs/dbraw/zinc/14/43/03/207144303.db2.gz 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CC(=O)Nc1ccc(CN2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)cc1 ZINC000020293980 207187328 /nfs/dbraw/zinc/18/73/28/207187328.db2.gz MPQXVIRUVKETSJ-UHFFFAOYSA-N 0 3 398.511 2.459 50 0 GEAAHN CC(=O)NCCNCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCO2 ZINC000020599505 207206634 /nfs/dbraw/zinc/20/66/34/207206634.db2.gz ITAPVVBNLBJQMA-UHFFFAOYSA-N 0 3 378.432 2.494 50 0 GEAAHN CC(=O)N[C@H]1CCN(Cc2ccc(-c3nc(-c4ccoc4)cc(=O)[nH]3)cc2)C1 ZINC000023129301 207270179 /nfs/dbraw/zinc/27/01/79/207270179.db2.gz SSVKWSCWVHDONE-SFHVURJKSA-N 0 3 378.432 2.407 50 0 GEAAHN CN(C)CCSc1nnc(Cn2cnc3sc4c(c3c2=O)CCC4)o1 ZINC000031812621 207387510 /nfs/dbraw/zinc/38/75/10/207387510.db2.gz GMUABMGTZVEOHL-UHFFFAOYSA-N 0 3 377.495 2.032 50 0 GEAAHN COCCNC(=O)[C@@H]1C[C@@H](NCc2ccc(C(F)(F)F)cc2)CN1C(C)C ZINC000032520359 207397459 /nfs/dbraw/zinc/39/74/59/207397459.db2.gz LQRJNYGYAATDRL-SJORKVTESA-N 0 3 387.446 2.409 50 0 GEAAHN CCn1c2c(C(=O)Nc3cc(Cl)ccc3C)cnn2c(=O)c2c1CCNC2 ZINC000064966188 207823606 /nfs/dbraw/zinc/82/36/06/207823606.db2.gz 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208080036 /nfs/dbraw/zinc/08/00/36/208080036.db2.gz BSEOTVRZDBWIDE-UHFFFAOYSA-N 0 3 378.908 2.220 50 0 GEAAHN O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)nc1O ZINC000091621485 208124975 /nfs/dbraw/zinc/12/49/75/208124975.db2.gz BXJKVDUSDHOUFF-INIZCTEOSA-N 0 3 379.420 2.404 50 0 GEAAHN C[C@@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCN2CCC(CO)CC2)C1 ZINC000091616525 208126077 /nfs/dbraw/zinc/12/60/77/208126077.db2.gz LAGLPSQMCKOTGE-QFIPXVFZSA-N 0 3 388.508 2.291 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3)C[C@H]2CCCO)CC1 ZINC000091594408 208127313 /nfs/dbraw/zinc/12/73/13/208127313.db2.gz XTEMNQWNOBLEHE-BEFAXECRSA-N 0 3 397.922 2.330 50 0 GEAAHN Cc1nn(-c2ccccc2)cc1CN1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000091664407 208133714 /nfs/dbraw/zinc/13/37/14/208133714.db2.gz MURNRHPBQMSPFZ-JOCHJYFZSA-N 0 3 382.508 2.378 50 0 GEAAHN CCN1CC[C@@]2(CN(Cc3cc(OC)cc(OC)c3)CCN2C)CCC1=O ZINC000091254756 208113118 /nfs/dbraw/zinc/11/31/18/208113118.db2.gz DQHFQULIZYHPJY-OAQYLSRUSA-N 0 3 375.513 2.222 50 0 GEAAHN O=C(CN1CCCCC1=O)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095372586 208166582 /nfs/dbraw/zinc/16/65/82/208166582.db2.gz JKUCOSJGWIAJBN-VLCRHTCISA-N 0 3 385.483 2.227 50 0 GEAAHN COc1cccc([C@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095372783 208168014 /nfs/dbraw/zinc/16/80/14/208168014.db2.gz KGTSXJIJNQWROK-HMXCVIKNSA-N 0 3 379.460 2.086 50 0 GEAAHN COCCN1CC[C@]2(CN(Cc3ccccc3Cl)CCN2C)CCC1=O ZINC000095381117 208173523 /nfs/dbraw/zinc/17/35/23/208173523.db2.gz HFLWOWWHVYONRG-FQEVSTJZSA-N 0 3 379.932 2.485 50 0 GEAAHN CC(=O)C(=O)N(C[C@H]1CCCO1)CC1CCN(C2Cc3ccccc3C2)CC1 ZINC000095505440 208206452 /nfs/dbraw/zinc/20/64/52/208206452.db2.gz DYPHFLYRLDSVIU-JOCHJYFZSA-N 0 3 384.520 2.462 50 0 GEAAHN COc1ccc(CN2CCOC(C)(C)C2)c(OC[C@@H](O)CN2CCCC2)c1 ZINC000095497637 208197169 /nfs/dbraw/zinc/19/71/69/208197169.db2.gz RWNUKWOBGLGGFP-SFHVURJKSA-N 0 3 378.513 2.142 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000095496594 208198256 /nfs/dbraw/zinc/19/82/56/208198256.db2.gz KGIBTVSTPVMCHE-INIZCTEOSA-N 0 3 393.491 2.306 50 0 GEAAHN CN1CCCN(CC(=O)N2CCC[C@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000095500307 208200573 /nfs/dbraw/zinc/20/05/73/208200573.db2.gz AAYDUPRMKIBNDF-JOCHJYFZSA-N 0 3 387.524 2.224 50 0 GEAAHN Cc1cc(C(=O)NC[C@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)no1 ZINC000095502949 208203393 /nfs/dbraw/zinc/20/33/93/208203393.db2.gz AIYFJDRJMBKMSS-OAHLLOKOSA-N 0 3 384.436 2.033 50 0 GEAAHN CCN(CC)S(=O)(=O)N(C)C[C@H]1CCCN(CCc2ccccc2OC)C1 ZINC000095503928 208204744 /nfs/dbraw/zinc/20/47/44/208204744.db2.gz JNIOLSOBYYZHOG-GOSISDBHSA-N 0 3 397.585 2.468 50 0 GEAAHN COc1cc(CN2CCC(F)CC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000095504933 208205194 /nfs/dbraw/zinc/20/51/94/208205194.db2.gz ZFUQYGCHMKPKGH-SFHVURJKSA-N 0 3 398.544 2.418 50 0 GEAAHN COc1ccc(CCN(CC2CC[NH+](C)CC2)C(=O)c2cnc(C)[n-]c2=O)cc1 ZINC000095503419 208205528 /nfs/dbraw/zinc/20/55/28/208205528.db2.gz OWGAEJFKRSKHIO-UHFFFAOYSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)c3cnc(C)[n-]c3=O)C2)cc1 ZINC000095511674 208213377 /nfs/dbraw/zinc/21/33/77/208213377.db2.gz CAYYSJKRLUFZHI-SFHVURJKSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)c3cnc(C)[n-]c3=O)C2)cc1 ZINC000095511674 208213379 /nfs/dbraw/zinc/21/33/79/208213379.db2.gz CAYYSJKRLUFZHI-SFHVURJKSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccc(CC[N@@H+]2CCC[C@H](CN(C)C(=O)c3cnc(C)[n-]c3=O)C2)cc1 ZINC000095511675 208214280 /nfs/dbraw/zinc/21/42/80/208214280.db2.gz CAYYSJKRLUFZHI-GOSISDBHSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccc(CC[N@H+]2CCC[C@H](CN(C)C(=O)c3cnc(C)[n-]c3=O)C2)cc1 ZINC000095511675 208214287 /nfs/dbraw/zinc/21/42/87/208214287.db2.gz CAYYSJKRLUFZHI-GOSISDBHSA-N 0 3 398.507 2.114 50 0 GEAAHN Cc1ccc(-n2nc(C(=O)N(C)CCCN3CCN(C)CC3)c3c2CCC3)cc1 ZINC000095956539 208244310 /nfs/dbraw/zinc/24/43/10/208244310.db2.gz CRKXJXBERLTVRT-UHFFFAOYSA-N 0 3 395.551 2.379 50 0 GEAAHN CCc1ncc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)cn1 ZINC000095518609 208217510 /nfs/dbraw/zinc/21/75/10/208217510.db2.gz DPIYGLBMZRAQHX-UHFFFAOYSA-N 0 3 382.512 2.408 50 0 GEAAHN Cc1ccccc1-n1nc(CC2CCN(C)CC2)nc1-c1ccc(=O)n(C)n1 ZINC000095522583 208218830 /nfs/dbraw/zinc/21/88/30/208218830.db2.gz LXBGZSJPVXWUNC-UHFFFAOYSA-N 0 3 378.480 2.221 50 0 GEAAHN O=C(Cc1c[nH]cn1)N1CCC[C@@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095523041 208222676 /nfs/dbraw/zinc/22/26/76/208222676.db2.gz UJMNBGLYLQVZIB-OAHLLOKOSA-N 0 3 378.436 2.220 50 0 GEAAHN CN(C[C@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)c1cn(C)cn1 ZINC000095525369 208222881 /nfs/dbraw/zinc/22/28/81/208222881.db2.gz GWEBALYCHYJJKJ-QGZVFWFLSA-N 0 3 394.516 2.134 50 0 GEAAHN O=C(Cc1c[nH]cn1)N1CCC[C@H](C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000095523042 208223749 /nfs/dbraw/zinc/22/37/49/208223749.db2.gz UJMNBGLYLQVZIB-HNNXBMFYSA-N 0 3 378.436 2.220 50 0 GEAAHN COc1cc(CN2CCSCC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000095524154 208224359 /nfs/dbraw/zinc/22/43/59/208224359.db2.gz VRKPCTHCYIIYCN-QGZVFWFLSA-N 0 3 398.594 2.033 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000095527538 208226058 /nfs/dbraw/zinc/22/60/58/208226058.db2.gz RDYPIKUFMBGELI-LBPRGKRZSA-N 0 3 384.406 2.206 50 0 GEAAHN CCN(C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnc[n-]c1=O ZINC000095526812 208228045 /nfs/dbraw/zinc/22/80/45/208228045.db2.gz XOXZQRHJGSXCTE-KRWDZBQOSA-N 0 3 386.471 2.326 50 0 GEAAHN CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cnc[n-]c1=O ZINC000095526812 208228052 /nfs/dbraw/zinc/22/80/52/208228052.db2.gz XOXZQRHJGSXCTE-KRWDZBQOSA-N 0 3 386.471 2.326 50 0 GEAAHN CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccon2)CN1C1CCCCCC1 ZINC000096149308 208276199 /nfs/dbraw/zinc/27/61/99/208276199.db2.gz UAKPBFGPTIIFGH-QAPCUYQASA-N 0 3 376.501 2.439 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1COc3ccccc3O1)CC2 ZINC000096160492 208278304 /nfs/dbraw/zinc/27/83/04/208278304.db2.gz QDKSGMVUICXSMM-IBGZPJMESA-N 0 3 396.491 2.336 50 0 GEAAHN NS(=O)(=O)c1ccc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cc1F ZINC000095963157 208245940 /nfs/dbraw/zinc/24/59/40/208245940.db2.gz DBIIVZPCKPBLIE-QGZVFWFLSA-N 0 3 391.468 2.040 50 0 GEAAHN CCn1c(Cn2ccnc2C)nnc1C1CCN(Cc2cnc(C)cn2)CC1 ZINC000096137718 208269911 /nfs/dbraw/zinc/26/99/11/208269911.db2.gz CYQBDFDMTRUKLF-UHFFFAOYSA-N 0 3 380.500 2.329 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccnc(-n3cnnc3)c2)C1 ZINC000097657209 208358452 /nfs/dbraw/zinc/35/84/52/208358452.db2.gz FGHLYNBHZRRKGO-GOSISDBHSA-N 0 3 376.464 2.190 50 0 GEAAHN COc1ccc(CCN2C(=O)C3=NNN(c4ccccc4)C3C2=O)cc1OC ZINC000101129472 208386551 /nfs/dbraw/zinc/38/65/51/208386551.db2.gz MLRXLAJQHPMYEI-ZWKOTPCHSA-N 0 3 380.404 2.240 50 0 GEAAHN COCCN1CC[C@@]2(CN(Cc3ccc(F)c(C)c3)CCN2C)CCC1=O ZINC000108014409 208437656 /nfs/dbraw/zinc/43/76/56/208437656.db2.gz YAKACBFCLNITQO-OAQYLSRUSA-N 0 3 377.504 2.279 50 0 GEAAHN COCCN1CCC[C@@H]1CNC(=O)c1nn(-c2c(F)cccc2F)cc1C ZINC000252536742 209036594 /nfs/dbraw/zinc/03/65/94/209036594.db2.gz JKMZAHZSTLHEHF-CQSZACIVSA-N 0 3 378.423 2.300 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NCCCc3csc(N)n3)CC2)c1 ZINC000095373957 136178503 /nfs/dbraw/zinc/17/85/03/136178503.db2.gz PFXLXFITYRVZJP-UHFFFAOYSA-N 0 3 387.553 2.295 50 0 GEAAHN O=C(c1cccc(F)n1)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095436714 136179048 /nfs/dbraw/zinc/17/90/48/136179048.db2.gz SKGAYXWOJLOFDY-QGZVFWFLSA-N 0 3 383.471 2.290 50 0 GEAAHN O=C(c1cccc(F)n1)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000095436713 136179052 /nfs/dbraw/zinc/17/90/52/136179052.db2.gz SKGAYXWOJLOFDY-KRWDZBQOSA-N 0 3 383.471 2.290 50 0 GEAAHN Cc1nnc2n1[C@H](C)CN(C(=O)CCN1CCN(c3cccc(C)c3)CC1)C2 ZINC000096147855 136184392 /nfs/dbraw/zinc/18/43/92/136184392.db2.gz DFHCOZLCDPLNHQ-QGZVFWFLSA-N 0 3 382.512 2.010 50 0 GEAAHN CN(CCCNC(=O)CCn1ncc(=O)c2ccccc21)Cc1ccccc1 ZINC000053288495 222009801 /nfs/dbraw/zinc/00/98/01/222009801.db2.gz GFBGSISRHYNICO-UHFFFAOYSA-N 0 3 378.476 2.425 50 0 GEAAHN CC(C)NC(=O)CN1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000426358160 529130443 /nfs/dbraw/zinc/13/04/43/529130443.db2.gz 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ZINC000022074473 570321279 /nfs/dbraw/zinc/32/12/79/570321279.db2.gz PWWBHAJESRXNIO-UHFFFAOYSA-N 0 3 399.310 2.437 50 0 GEAAHN O=S(=O)(NCC1CCN([C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000575608392 570331526 /nfs/dbraw/zinc/33/15/26/570331526.db2.gz SLDIAJIKZAHUOU-HNNXBMFYSA-N 0 3 392.443 2.485 50 0 GEAAHN CCN(CC)CCNC(=O)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 ZINC000004941602 570378201 /nfs/dbraw/zinc/37/82/01/570378201.db2.gz RWRJKBKPKOMDTM-UHFFFAOYSA-N 0 3 387.509 2.016 50 0 GEAAHN COC(=O)c1ccc(OC)c(NC(=O)C2CC(=O)N=C3Nc4ccccc4N32)c1 ZINC000090594545 570381625 /nfs/dbraw/zinc/38/16/25/570381625.db2.gz RQELUMPBBNWPMX-OAHLLOKOSA-N 0 3 394.387 2.007 50 0 GEAAHN O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCSC[C@H]1CN1CCCC1 ZINC000090609028 570384663 /nfs/dbraw/zinc/38/46/63/570384663.db2.gz SJEZIBYJFZWPGH-OAHLLOKOSA-N 0 3 398.550 2.050 50 0 GEAAHN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000240894796 570431319 /nfs/dbraw/zinc/43/13/19/570431319.db2.gz IPYHDHMZUQHRTK-XEZPLFJOSA-N 0 3 395.912 2.122 50 0 GEAAHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005512974 570443646 /nfs/dbraw/zinc/44/36/46/570443646.db2.gz RRKTZKIUPZVBMF-VLTSECPOSA-N 0 3 394.471 2.110 50 0 GEAAHN O=C(CCCN1C(=O)c2ccccc2C1=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000032986441 570574335 /nfs/dbraw/zinc/57/43/35/570574335.db2.gz VWBJUOUCDFOVRK-SFHVURJKSA-N 0 3 391.471 2.454 50 0 GEAAHN CC(C)CCN1CCc2nnc(CCNC(=O)Cc3ccc(F)cc3)n2CC1 ZINC000011838611 570586770 /nfs/dbraw/zinc/58/67/70/570586770.db2.gz LDRIJXRPSNABCO-UHFFFAOYSA-N 0 3 387.503 2.223 50 0 GEAAHN C[C@@H]1CCCCN1CCNC(=O)Cn1c(=O)c2cccn2c2ccc(F)cc21 ZINC000006782460 570589634 /nfs/dbraw/zinc/58/96/34/570589634.db2.gz OOTVNWXNEGTETP-OAHLLOKOSA-N 0 3 384.455 2.384 50 0 GEAAHN O=C(CN1CCOC1=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000011932906 570592792 /nfs/dbraw/zinc/59/27/92/570592792.db2.gz YZOYKAPNPSSFAC-FQEVSTJZSA-N 0 3 375.444 2.092 50 0 GEAAHN CCOC(=O)c1cc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cn1C ZINC000006800632 570601251 /nfs/dbraw/zinc/60/12/51/570601251.db2.gz NOKCPLNPXAQZHQ-UHFFFAOYSA-N 0 3 393.509 2.002 50 0 GEAAHN O=C(CSc1nnc(C(=O)Nc2ccccc2)s1)NCCN1CCCC1 ZINC000033011987 570624406 /nfs/dbraw/zinc/62/44/06/570624406.db2.gz NROWAHHZSVBYCG-UHFFFAOYSA-N 0 3 391.522 2.095 50 0 GEAAHN COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 ZINC000012247120 570631107 /nfs/dbraw/zinc/63/11/07/570631107.db2.gz QAGPLGZEBFJVSS-OALUTQOASA-N 0 3 399.491 2.001 50 0 GEAAHN O=C(NCCc1nnc2n1CCN(CCCc1ccccc1)CC2)c1ccoc1 ZINC000012279096 570632457 /nfs/dbraw/zinc/63/24/57/570632457.db2.gz KRRRZMRUGPSLAG-UHFFFAOYSA-N 0 3 393.491 2.335 50 0 GEAAHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O ZINC000044450503 570633119 /nfs/dbraw/zinc/63/31/19/570633119.db2.gz DAVDTHFMJDFJLN-INIZCTEOSA-N 0 3 391.475 2.133 50 0 GEAAHN Cc1nc(-c2cc3ccc(OCC(=O)NCCN(C)C)cc3oc2=O)cs1 ZINC000012389913 570640840 /nfs/dbraw/zinc/64/08/40/570640840.db2.gz YAGREDMMNFRFOP-UHFFFAOYSA-N 0 3 387.461 2.282 50 0 GEAAHN [NH3+]C[C@H]1CCCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048462704 570658748 /nfs/dbraw/zinc/65/87/48/570658748.db2.gz KRHDJXJCFQHKQC-GOSISDBHSA-N 0 3 392.507 2.047 50 0 GEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)C[C@H]2CCC(=O)N2)CC1 ZINC000012581203 570684017 /nfs/dbraw/zinc/68/40/17/570684017.db2.gz JJIGRWULRSUVNX-LJQANCHMSA-N 0 3 387.524 2.077 50 0 GEAAHN O=C(NCCN1CCCC1)c1nnn(-c2ccc(F)cc2)c1-c1ccncc1 ZINC000065083174 570685860 /nfs/dbraw/zinc/68/58/60/570685860.db2.gz RYTLNYPBPPUESX-UHFFFAOYSA-N 0 3 380.427 2.294 50 0 GEAAHN CCn1ccnc1CNCc1ccc(OC[C@H](O)CN2CCCC2)c(OC)c1 ZINC000012447028 570689886 /nfs/dbraw/zinc/68/98/86/570689886.db2.gz YFMMKARFGYIFKJ-GOSISDBHSA-N 0 3 388.512 2.037 50 0 GEAAHN CN(C)[C@H]1CCN(CC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000055358713 570692283 /nfs/dbraw/zinc/69/22/83/570692283.db2.gz UHPAPMOOKUBGFA-FQEVSTJZSA-N 0 3 380.492 2.442 50 0 GEAAHN CN(C)CCN(C[C@H]1CCCO1)C(=O)CCCc1nc(-c2ccco2)no1 ZINC000055384742 570693253 /nfs/dbraw/zinc/69/32/53/570693253.db2.gz YPSVZAKCTXPOTE-OAHLLOKOSA-N 0 3 376.457 2.222 50 0 GEAAHN CCc1nc2c(c(=O)n1CC(=O)NC(C)(C)C)CN(Cc1ccccc1)CC2 ZINC000065153577 570716640 /nfs/dbraw/zinc/71/66/40/570716640.db2.gz JFMCJKVIJATHKD-UHFFFAOYSA-N 0 3 382.508 2.279 50 0 GEAAHN C[C@@H]1CCC[C@](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)(N(C)C)C1 ZINC000058249824 570723211 /nfs/dbraw/zinc/72/32/11/570723211.db2.gz KYOHVQMHLUZUEU-KUHUBIRLSA-N 0 3 379.526 2.360 50 0 GEAAHN C[C@@H]1CCC[C@@](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)(N(C)C)C1 ZINC000058249816 570723261 /nfs/dbraw/zinc/72/32/61/570723261.db2.gz KYOHVQMHLUZUEU-AUUYWEPGSA-N 0 3 379.526 2.360 50 0 GEAAHN CN(C(=O)C(=O)NCCCN1CCc2ccccc2C1)c1ccc(F)c(F)c1 ZINC000058418480 570731989 /nfs/dbraw/zinc/73/19/89/570731989.db2.gz OGJIEORVVHCDSA-UHFFFAOYSA-N 0 3 387.430 2.492 50 0 GEAAHN CC(C)CCC(=O)NCC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000060375566 570740935 /nfs/dbraw/zinc/74/09/35/570740935.db2.gz WWVDNULLJZDQND-HXUWFJFHSA-N 0 3 388.556 2.034 50 0 GEAAHN CCc1nc(C2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc(=O)[nH]1 ZINC000063856967 570751689 /nfs/dbraw/zinc/75/16/89/570751689.db2.gz KQXWCRHXVMZILN-UHFFFAOYSA-N 0 3 389.525 2.005 50 0 GEAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCCc1ccccn1 ZINC000067472800 570780309 /nfs/dbraw/zinc/78/03/09/570780309.db2.gz BUFNCWLOJCEUMD-HXUWFJFHSA-N 0 3 375.419 2.046 50 0 GEAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)c(C)c1 ZINC000067601966 570782616 /nfs/dbraw/zinc/78/26/16/570782616.db2.gz WBPLAERYGKROLL-UHFFFAOYSA-N 0 3 384.484 2.472 50 0 GEAAHN CNC(=O)[C@@H]1CCN(Cc2cccc(C(=O)Nc3cccc(CO)c3C)c2)C1 ZINC000067727454 570788358 /nfs/dbraw/zinc/78/83/58/570788358.db2.gz JEKYBGCMCOSVQW-GOSISDBHSA-N 0 3 381.476 2.308 50 0 GEAAHN CN1CCN(Cc2c[nH]cn2)CC12CCN(C(=O)CCc1ccccc1)CC2 ZINC000067804430 570791908 /nfs/dbraw/zinc/79/19/08/570791908.db2.gz LUSNPMXMIIWBBH-UHFFFAOYSA-N 0 3 381.524 2.151 50 0 GEAAHN CN1CCN(Cc2cnc[nH]2)CC12CCN(C(=O)CCc1ccccc1)CC2 ZINC000067804430 570791912 /nfs/dbraw/zinc/79/19/12/570791912.db2.gz 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JOZNVQMDIHOXPT-SFHVURJKSA-N 0 3 385.508 2.331 50 0 GEAAHN Cc1ccn(CCNC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)C2=O)n1 ZINC000067773275 211021897 /nfs/dbraw/zinc/02/18/97/211021897.db2.gz NVDGXQUAHPCCIK-JOCHJYFZSA-N 0 3 384.524 2.458 50 0 GEAAHN CN(Cc1ccc2nonc2c1)C[C@@]1(O)CCCN(Cc2ccc(F)cc2)C1=O ZINC000067724423 211019111 /nfs/dbraw/zinc/01/91/11/211019111.db2.gz HRSGHWYMLCVNEA-NRFANRHFSA-N 0 3 398.438 2.347 50 0 GEAAHN O=C(C[C@H]1CNCCO1)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067742135 211018993 /nfs/dbraw/zinc/01/89/93/211018993.db2.gz MAKSHZJDPNUOHA-INIZCTEOSA-N 0 3 395.438 2.273 50 0 GEAAHN O=C(C[C@H]1CNCCO1)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067742135 211018998 /nfs/dbraw/zinc/01/89/98/211018998.db2.gz MAKSHZJDPNUOHA-INIZCTEOSA-N 0 3 395.438 2.273 50 0 GEAAHN COc1ccc(F)c(CN2CCC[C@](O)(CNCCc3ccco3)C2=O)c1 ZINC000067673155 211014147 /nfs/dbraw/zinc/01/41/47/211014147.db2.gz VPCFQDKWAVHQDG-FQEVSTJZSA-N 0 3 376.428 2.113 50 0 GEAAHN CSCC[C@H](N)C(=O)N1CCn2nc(-c3nc4c(cccc4C)[nH]3)cc2C1 ZINC000067641474 211012263 /nfs/dbraw/zinc/01/22/63/211012263.db2.gz YHJUAMHSZUGIKT-AWEZNQCLSA-N 0 3 384.509 2.157 50 0 GEAAHN CSCC[C@H](N)C(=O)N1CCn2nc(-c3nc4cccc(C)c4[nH]3)cc2C1 ZINC000067641474 211012266 /nfs/dbraw/zinc/01/22/66/211012266.db2.gz YHJUAMHSZUGIKT-AWEZNQCLSA-N 0 3 384.509 2.157 50 0 GEAAHN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000040160869 210544931 /nfs/dbraw/zinc/54/49/31/210544931.db2.gz BLSJLQRQSPIYCL-WOJBJXKFSA-N 0 3 397.519 2.333 50 0 GEAAHN CCOC(=O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@H](C)S2 ZINC000021297409 210379935 /nfs/dbraw/zinc/37/99/35/210379935.db2.gz XWZXETKTFKCCPB-JTQLQIEISA-N 0 3 377.441 2.351 50 0 GEAAHN Cc1nn(CCCC(=O)NCCN2CCCC[C@H]2C)c(=O)c2cc3occc3n21 ZINC000020866562 210365431 /nfs/dbraw/zinc/36/54/31/210365431.db2.gz ZJDJBFRHQFDYFX-OAHLLOKOSA-N 0 3 399.495 2.321 50 0 GEAAHN Cc1nn(CCCC(=O)NCCN2CCCCCC2)c(=O)c2cc3occc3n21 ZINC000020866553 210364490 /nfs/dbraw/zinc/36/44/90/210364490.db2.gz KENWEBHYZHDCCQ-UHFFFAOYSA-N 0 3 399.495 2.323 50 0 GEAAHN Cc1ccccc1CN1CCN(Cc2ccc(OCCO)cc2)C[C@@H]1CCO ZINC000020514799 210343000 /nfs/dbraw/zinc/34/30/00/210343000.db2.gz NFLDXCVZMWMXNG-QFIPXVFZSA-N 0 3 384.520 2.435 50 0 GEAAHN O=C(NCCCN1CCOCC1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000020102732 210316982 /nfs/dbraw/zinc/31/69/82/210316982.db2.gz VUAVXYVSYUEXSI-UHFFFAOYSA-N 0 3 379.932 2.391 50 0 GEAAHN Cc1ncc2c(c1-c1noc([C@@H]3CCCN3C)n1)CCN(C(=O)c1cnc[nH]1)C2 ZINC000019792516 210298472 /nfs/dbraw/zinc/29/84/72/210298472.db2.gz DUVQLPRXWHKKQV-INIZCTEOSA-N 0 3 393.451 2.128 50 0 GEAAHN O=C1N(Cc2ccccc2F)CCC[C@]1(O)CN1CCN(C2CCCC2)CC1 ZINC000019740449 210290750 /nfs/dbraw/zinc/29/07/50/210290750.db2.gz MYYPWBOGGSVMBQ-QFIPXVFZSA-N 0 3 389.515 2.239 50 0 GEAAHN COc1c2c(c(CNC(=O)COc3ccccc3)c3c1CN(C)CC3)OCO2 ZINC000008765474 221056638 /nfs/dbraw/zinc/05/66/38/221056638.db2.gz FJVXBTUPENXODA-UHFFFAOYSA-N 0 3 384.432 2.107 50 0 GEAAHN CCOc1ccc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cc1CO ZINC000011820904 221129857 /nfs/dbraw/zinc/12/98/57/221129857.db2.gz CWECUGMEJNQPCA-FGZHOGPDSA-N 0 3 399.535 2.082 50 0 GEAAHN COc1ccc(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)cc1 ZINC000426552403 533559046 /nfs/dbraw/zinc/55/90/46/533559046.db2.gz XFYSOPMSMSFQEE-SFHVURJKSA-N 0 3 385.512 2.036 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CCCN(c2cnccn2)C1 ZINC000040063235 132393438 /nfs/dbraw/zinc/39/34/38/132393438.db2.gz VICCOAZGSXMTFB-IBGZPJMESA-N 0 3 379.508 2.474 50 0 GEAAHN C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccccc2OCCN(C)C)CC1 ZINC000072308420 136168014 /nfs/dbraw/zinc/16/80/14/136168014.db2.gz AQXKZGVPGWOFCX-GOSISDBHSA-N 0 3 388.556 2.196 50 0 GEAAHN Cc1cc(N2CCN(C(=O)Nc3ccnn3C3CCCCC3)CC2)nc(N)n1 ZINC000095498429 136179688 /nfs/dbraw/zinc/17/96/88/136179688.db2.gz PATANCRVAZHDDA-UHFFFAOYSA-N 0 3 384.488 2.423 50 0 GEAAHN CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(CCOC)C2)CC1 ZINC000097742868 136188744 /nfs/dbraw/zinc/18/87/44/136188744.db2.gz GRLRPPPLLUMHMH-GOSISDBHSA-N 0 3 375.513 2.092 50 0 GEAAHN O=C1C[C@@H](NC2CCN(c3ncccn3)CC2)C(=O)N1c1ccc(Cl)cc1 ZINC000100202711 136188968 /nfs/dbraw/zinc/18/89/68/136188968.db2.gz KUZYCRPEWWGNGF-MRXNPFEDSA-N 0 3 385.855 2.021 50 0 GEAAHN CC(C)Cc1nc(CNC(=O)N(Cc2ccncc2)C2CCN(C)CC2)no1 ZINC000426555404 528667414 /nfs/dbraw/zinc/66/74/14/528667414.db2.gz FYOODFDPGRIQDV-UHFFFAOYSA-N 0 3 386.500 2.469 50 0 GEAAHN CNC(=O)CNC(=O)NC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000584903238 570270523 /nfs/dbraw/zinc/27/05/23/570270523.db2.gz NFOBFWIOAZRAFC-UHFFFAOYSA-N 0 3 380.492 2.363 50 0 GEAAHN CC1CCN(C(=O)COc2ccc(CN(C)C[C@@H]3COCCO3)cc2)CC1 ZINC000215997612 570294272 /nfs/dbraw/zinc/29/42/72/570294272.db2.gz VPYQGBSCKAIUBP-HXUWFJFHSA-N 0 3 376.497 2.171 50 0 GEAAHN Cc1ccoc1C(=O)N1CC[C@@H](N2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023359808 570322134 /nfs/dbraw/zinc/32/21/34/570322134.db2.gz YLYADPWYYUFJQV-NHCUHLMSSA-N 0 3 397.519 2.024 50 0 GEAAHN CN1CCN(C[C@@H](O)COc2ccc(CNC3(c4ccccc4)CC3)cc2)CC1 ZINC000023358870 570356272 /nfs/dbraw/zinc/35/62/72/570356272.db2.gz QMUOJEQPUAGWJY-JOCHJYFZSA-N 0 3 395.547 2.453 50 0 GEAAHN Cn1c2ccccc2n(CC(=O)NC[C@H](c2ccccc2)N2CCCC2)c1=O ZINC000023742402 570371209 /nfs/dbraw/zinc/37/12/09/570371209.db2.gz DOJPWVSLPSLOQX-HXUWFJFHSA-N 0 3 378.476 2.293 50 0 GEAAHN CCn1c2ccccc2c2cc(CNCCNC(=O)c3nonc3N)ccc21 ZINC000004413440 570374447 /nfs/dbraw/zinc/37/44/47/570374447.db2.gz DTCQXSFBETURSZ-UHFFFAOYSA-N 0 3 378.436 2.299 50 0 GEAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(OC)cc3)CC2)CC1 ZINC000004592207 570386331 /nfs/dbraw/zinc/38/63/31/570386331.db2.gz JOGYVXLNYCPREY-UHFFFAOYSA-N 0 3 389.496 2.208 50 0 GEAAHN CCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(OC)c(F)c1 ZINC000027363026 570433816 /nfs/dbraw/zinc/43/38/16/570433816.db2.gz TVHXATXUJDISDX-UHFFFAOYSA-N 0 3 382.457 2.383 50 0 GEAAHN Cc1nc(C)c(CC(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)c(=O)[n-]1 ZINC000135012220 570470145 /nfs/dbraw/zinc/47/01/45/570470145.db2.gz MATSLQDUYGKJJI-UHFFFAOYSA-N 0 3 384.480 2.433 50 0 GEAAHN O=C(Nc1ccccc1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061718140 570501126 /nfs/dbraw/zinc/50/11/26/570501126.db2.gz KOZXOMMRMHPLNQ-OAHLLOKOSA-N 0 3 390.399 2.299 50 0 GEAAHN Cc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1-n1cnnn1 ZINC000061721559 570504411 /nfs/dbraw/zinc/50/44/11/570504411.db2.gz VNKKSWHIJLYEMO-UHFFFAOYSA-N 0 3 376.464 2.365 50 0 GEAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@@H](O)COCC(C)C)c(C)c1 ZINC000036098867 570536536 /nfs/dbraw/zinc/53/65/36/570536536.db2.gz SWJOZXOGUIGGKK-JOCHJYFZSA-N 0 3 378.557 2.471 50 0 GEAAHN COc1ccc(CCN[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000005043873 570541120 /nfs/dbraw/zinc/54/11/20/570541120.db2.gz UPYKCSUZENRGLL-LJQANCHMSA-N 0 3 381.432 2.118 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 ZINC000010111665 570565375 /nfs/dbraw/zinc/56/53/75/570565375.db2.gz IEFBDUKESTUGGB-UHFFFAOYSA-N 0 3 393.484 2.083 50 0 GEAAHN Cc1ccc(NC(=O)c2nnc(CCCC(=O)NCCN(C)C)s2)cc1 ZINC000032987845 570575160 /nfs/dbraw/zinc/57/51/60/570575160.db2.gz LOOGMXCMJCEBTO-UHFFFAOYSA-N 0 3 375.498 2.099 50 0 GEAAHN CN(CCNC(=O)[C@@H]1CCC(=O)N(Cc2ccccn2)C1)CCc1ccccc1 ZINC000011668175 570579443 /nfs/dbraw/zinc/57/94/43/570579443.db2.gz LXCGEMQXGYLYNU-HXUWFJFHSA-N 0 3 394.519 2.111 50 0 GEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)c2cc[n+]([O-])cc2)CC1 ZINC000011873968 570589250 /nfs/dbraw/zinc/58/92/50/570589250.db2.gz JDGFEWKNUCMKGR-UHFFFAOYSA-N 0 3 383.492 2.355 50 0 GEAAHN COc1ccc(CCN2C[C@@H](NCc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000011951843 570595713 /nfs/dbraw/zinc/59/57/13/570595713.db2.gz RSFQTQLJFWPAMR-SFHVURJKSA-N 0 3 382.460 2.400 50 0 GEAAHN CC(C)C(=O)NCCc1nnc2n1CCN(CC1=CC[C@H]3C[C@@H]1C3(C)C)CC2 ZINC000012055579 570601976 /nfs/dbraw/zinc/60/19/76/570601976.db2.gz ZJBPZXBMOOPLHE-ROUUACIJSA-N 0 3 385.556 2.443 50 0 GEAAHN Cc1ccc(COc2ccc(CNCCNC(=O)c3nonc3N)cc2)cc1 ZINC000040744372 570613748 /nfs/dbraw/zinc/61/37/48/570613748.db2.gz RLDPGQSONPEUKN-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN CCOC(=O)CNC(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000012209723 570626330 /nfs/dbraw/zinc/62/63/30/570626330.db2.gz WJQITWZJWFFNAT-KRWDZBQOSA-N 0 3 391.512 2.154 50 0 GEAAHN CN(C)CCSc1nnc(CNC(=O)/C=C/c2ccccc2Cl)n1C ZINC000012244480 570630535 /nfs/dbraw/zinc/63/05/35/570630535.db2.gz RSAZGMPJAKGPFB-CMDGGOBGSA-N 0 3 379.917 2.452 50 0 GEAAHN Cc1cccn2c(CN[C@@H]3CCOC(C)(C)C3)c(C(=O)N3CCOCC3)nc12 ZINC000012316292 570641344 /nfs/dbraw/zinc/64/13/44/570641344.db2.gz IOLJLDXUAXHCDJ-MRXNPFEDSA-N 0 3 386.496 2.162 50 0 GEAAHN [NH3+]C[C@@H]1CCCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048462705 570658868 /nfs/dbraw/zinc/65/88/68/570658868.db2.gz KRHDJXJCFQHKQC-SFHVURJKSA-N 0 3 392.507 2.047 50 0 GEAAHN COC[C@H]1CCCN(CCNC(=O)CCc2ccc(OC)c(OC)c2OC)C1 ZINC000239367332 570683091 /nfs/dbraw/zinc/68/30/91/570683091.db2.gz AIIFCUSPUBHWMO-INIZCTEOSA-N 0 3 394.512 2.120 50 0 GEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)C[C@@H]2CCC(=O)N2)CC1 ZINC000012581193 570683869 /nfs/dbraw/zinc/68/38/69/570683869.db2.gz JJIGRWULRSUVNX-IBGZPJMESA-N 0 3 387.524 2.077 50 0 GEAAHN CNC(=O)c1ccn([C@H]2CCCN(CC3(CNC(=O)OC(C)(C)C)CC3)C2)n1 ZINC000242338969 570689162 /nfs/dbraw/zinc/68/91/62/570689162.db2.gz ZDWCDNDZUKKUBB-HNNXBMFYSA-N 0 3 391.516 2.185 50 0 GEAAHN NC(=O)c1ccc(OCCCN2CCN(C3Cc4ccccc4C3)CC2)cc1 ZINC000244716270 570695082 /nfs/dbraw/zinc/69/50/82/570695082.db2.gz LMAOVBNAEWLRRG-UHFFFAOYSA-N 0 3 379.504 2.339 50 0 GEAAHN CCCN1CCN(c2ncnc3sc(C(=O)NCCCOC)c(C)c32)CC1 ZINC000033048385 570699589 /nfs/dbraw/zinc/69/95/89/570699589.db2.gz NVJHEXZZJJWNAM-UHFFFAOYSA-N 0 3 391.541 2.298 50 0 GEAAHN C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000058082690 570708903 /nfs/dbraw/zinc/70/89/03/570708903.db2.gz IDVWORYHHGMJQI-AWEZNQCLSA-N 0 3 388.443 2.318 50 0 GEAAHN Nc1nonc1C(=O)NCCNCc1cn(Cc2ccccc2)c2ccccc12 ZINC000247663472 570715721 /nfs/dbraw/zinc/71/57/21/570715721.db2.gz UTQJKMLYEYTVBU-UHFFFAOYSA-N 0 3 390.447 2.174 50 0 GEAAHN CC(C)CCN1Cc2ccc(NC(=O)Cn3cnc4c(cnn4C)c3=O)cc2C1 ZINC000058306540 570726035 /nfs/dbraw/zinc/72/60/35/570726035.db2.gz WUSLLIFIWSVMHN-UHFFFAOYSA-N 0 3 394.479 2.130 50 0 GEAAHN Cn1c2cc(C(=O)N3CCN(C4CCCCC4)CC3)ccc2n2nccc2c1=O ZINC000065270547 570769792 /nfs/dbraw/zinc/76/97/92/570769792.db2.gz NZPXOFZZORUZEN-UHFFFAOYSA-N 0 3 393.491 2.277 50 0 GEAAHN CC(C)Cn1c2ccccc2n2nc(C(=O)NCCN3CCCC3)cc2c1=O ZINC000065292371 570785855 /nfs/dbraw/zinc/78/58/55/570785855.db2.gz LJWJNKSGBRRDCP-UHFFFAOYSA-N 0 3 381.480 2.131 50 0 GEAAHN CCc1ccc([C@H](CNC(=O)Cn2c(=O)cnc3ccccc32)N(C)C)cc1 ZINC000032733584 570788559 /nfs/dbraw/zinc/78/85/59/570788559.db2.gz IBRAIVROOCJOAM-FQEVSTJZSA-N 0 3 378.476 2.378 50 0 GEAAHN Cc1nn(C)c(C)c1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000063199899 570798390 /nfs/dbraw/zinc/79/83/90/570798390.db2.gz IIXMLAFLMMUBFW-UHFFFAOYSA-N 0 3 376.526 2.227 50 0 GEAAHN CC[C@H](C)N(CCNC(=O)c1c(C)oc2ncn(C)c(=O)c21)Cc1ccco1 ZINC000065329542 570801128 /nfs/dbraw/zinc/80/11/28/570801128.db2.gz IZVJSSJCJNVPLF-ZDUSSCGKSA-N 0 3 386.452 2.458 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)[C@H](CC)CN1CC(C)(C)O ZINC000170088570 570804838 /nfs/dbraw/zinc/80/48/38/570804838.db2.gz URWZOOQLGZLEKP-IAGOWNOFSA-N 0 3 385.512 2.353 50 0 GEAAHN COc1ccccc1CNC(=O)[C@@H](C)NCC1(N2CCOCC2)CCCCC1 ZINC000032797210 570819539 /nfs/dbraw/zinc/81/95/39/570819539.db2.gz HQIZWNQOZYLTQH-GOSISDBHSA-N 0 3 389.540 2.325 50 0 GEAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCCN3CCN(CC)CC3)c21 ZINC000033250194 570859254 /nfs/dbraw/zinc/85/92/54/570859254.db2.gz SSCVKTFZVWFZHQ-UHFFFAOYSA-N 0 3 389.500 2.456 50 0 GEAAHN CCn1ccc(C(=O)N2C[C@@H](c3nc(C4CC4)no3)C3(C2)CCN(C)CC3)n1 ZINC000097087381 570890864 /nfs/dbraw/zinc/89/08/64/570890864.db2.gz SINMNKQQLCHDBN-HNNXBMFYSA-N 0 3 384.484 2.115 50 0 GEAAHN O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023128083 570913375 /nfs/dbraw/zinc/91/33/75/570913375.db2.gz GPOTUJRWTWNLTG-UHFFFAOYSA-N 0 3 397.500 2.373 50 0 GEAAHN O=C(CNC[C@@H]1CCCO1)N1CCO[C@H](c2ccccc2Br)C1 ZINC000236587868 570943252 /nfs/dbraw/zinc/94/32/52/570943252.db2.gz XMDHHJOOLZSQGR-BBRMVZONSA-N 0 3 383.286 2.118 50 0 GEAAHN CN(C)CCN(Cc1cccnc1)C(=O)Nc1cccc(N2CCNC2=O)c1 ZINC000047521884 570962341 /nfs/dbraw/zinc/96/23/41/570962341.db2.gz HQSJGOAFSBPWSF-UHFFFAOYSA-N 0 3 382.468 2.207 50 0 GEAAHN CCN1CCN(CC2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1 ZINC000033312383 570971830 /nfs/dbraw/zinc/97/18/30/570971830.db2.gz FJVOTHJTDAVCQO-UHFFFAOYSA-N 0 3 387.496 2.003 50 0 GEAAHN CN1CCC(NC(=O)Nc2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1 ZINC000252499302 570976852 /nfs/dbraw/zinc/97/68/52/570976852.db2.gz RYMGGUXREZOYRM-UHFFFAOYSA-N 0 3 380.514 2.123 50 0 GEAAHN CCN1CCN(C2CCN(Cc3nc(COc4ccccc4)no3)CC2)CC1 ZINC000019536504 210259570 /nfs/dbraw/zinc/25/95/70/210259570.db2.gz WLNHZIVOJMIPAO-UHFFFAOYSA-N 0 3 385.512 2.251 50 0 GEAAHN CN(C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cc(C4CC4)n[nH]3)CC2)[C@H]1O ZINC000019111699 210225943 /nfs/dbraw/zinc/22/59/43/210225943.db2.gz VJIYSZVLZQJXRH-UXHICEINSA-N 0 3 380.492 2.438 50 0 GEAAHN Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](c1ccccc1)N(C)C)C2=O ZINC000016599567 210191582 /nfs/dbraw/zinc/19/15/82/210191582.db2.gz YLCZDZGVKPNYOJ-LJQANCHMSA-N 0 3 379.460 2.400 50 0 GEAAHN CCOC(=O)c1cnn(-c2ccc(C(=O)NCCN3CCCCCC3)cc2)c1N ZINC000015825747 210171010 /nfs/dbraw/zinc/17/10/10/210171010.db2.gz LTNVCVDOSPOLMS-UHFFFAOYSA-N 0 3 399.495 2.237 50 0 GEAAHN O=C(NCCCO)c1cn(C2CCN(Cc3cc4ccccc4s3)CC2)nn1 ZINC000015067396 210147796 /nfs/dbraw/zinc/14/77/96/210147796.db2.gz ROFFNJLAJVUXHA-UHFFFAOYSA-N 0 3 399.520 2.442 50 0 GEAAHN CN(C(=O)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1)C1CCN(C)CC1 ZINC000014977473 210139144 /nfs/dbraw/zinc/13/91/44/210139144.db2.gz KRDRVCJGEWUFMH-KRWDZBQOSA-N 0 3 375.488 2.159 50 0 GEAAHN COCCN1CCC(CNC(=O)c2cn(Cc3ccc(Cl)cc3)nn2)CC1 ZINC000014967727 210136134 /nfs/dbraw/zinc/13/61/34/210136134.db2.gz NLIGGKKHBHXBPQ-UHFFFAOYSA-N 0 3 391.903 2.068 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014537278 210120255 /nfs/dbraw/zinc/12/02/55/210120255.db2.gz FLGOCPZPWNTOHW-UHFFFAOYSA-N 0 3 395.507 2.200 50 0 GEAAHN COc1cc(CNCCOCCO)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731503 210086025 /nfs/dbraw/zinc/08/60/25/210086025.db2.gz GTDKVFMGWSDHNI-UHFFFAOYSA-N 0 3 388.464 2.120 50 0 GEAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013684838 210079534 /nfs/dbraw/zinc/07/95/34/210079534.db2.gz DHSVFJKGGGNHKF-MRXNPFEDSA-N 0 3 378.388 2.389 50 0 GEAAHN COCCN1CCC[C@@H](CNc2nc3nonc3nc2NC2CCCC2)C1 ZINC000011874181 209889873 /nfs/dbraw/zinc/88/98/73/209889873.db2.gz WJAOWDBGIBFIPS-ZDUSSCGKSA-N 0 3 375.477 2.138 50 0 GEAAHN CC(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCCCC1)S(C)(=O)=O ZINC000056915894 531815153 /nfs/dbraw/zinc/81/51/53/531815153.db2.gz SIDDIXIKXZLRND-ZDUSSCGKSA-N 0 3 376.519 2.153 50 0 GEAAHN CCOC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCCN(C)C)c1C ZINC000002929800 209398146 /nfs/dbraw/zinc/39/81/46/209398146.db2.gz SUPJGOWNFKYIIA-UHFFFAOYSA-N 0 3 375.444 2.457 50 0 GEAAHN Cc1ccc(C(=O)NC[C@@H]2CN(C3CCN(C4CCC4)CC3)C(=O)CO2)cc1C ZINC000299793782 212038812 /nfs/dbraw/zinc/03/88/12/212038812.db2.gz HIHMBHDNHVPRBS-OAQYLSRUSA-N 0 3 399.535 2.278 50 0 GEAAHN Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)n1 ZINC000299790027 212039245 /nfs/dbraw/zinc/03/92/45/212039245.db2.gz KCMUKGKZLBLVGV-KSZLIROESA-N 0 3 381.480 2.244 50 0 GEAAHN Cc1cc(=O)[n-]c(NCCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)n1 ZINC000299790027 212039248 /nfs/dbraw/zinc/03/92/48/212039248.db2.gz KCMUKGKZLBLVGV-KSZLIROESA-N 0 3 381.480 2.244 50 0 GEAAHN OCCN1CCOc2ccc(CN3CCC(Oc4cccnc4)CC3)cc2C1 ZINC000299775798 212034903 /nfs/dbraw/zinc/03/49/03/212034903.db2.gz JVSWZSHDEYBGOP-UHFFFAOYSA-N 0 3 383.492 2.312 50 0 GEAAHN COCCN1CCC(C(=O)N2CCCN(Cc3cccc(F)c3)CC2)CC1 ZINC000097528101 211366629 /nfs/dbraw/zinc/36/66/29/211366629.db2.gz GROZFCRVHHNNJM-UHFFFAOYSA-N 0 3 377.504 2.218 50 0 GEAAHN Cc1ccc(-n2c(=O)n(CC(=O)NCCN3CCCCC3)c3cccnc32)cc1 ZINC000096385616 211338269 /nfs/dbraw/zinc/33/82/69/211338269.db2.gz VPUSEMRARBUCNP-UHFFFAOYSA-N 0 3 393.491 2.098 50 0 GEAAHN CN1CCC(Oc2ccc(NC(=O)NCCSc3nc[nH]n3)cc2)CC1 ZINC000096132533 211305009 /nfs/dbraw/zinc/30/50/09/211305009.db2.gz WHLUPKHIIYRZNJ-UHFFFAOYSA-N 0 3 376.486 2.192 50 0 GEAAHN Cc1nc(C)c(C(=O)N[C@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)s1 ZINC000096136852 211305910 /nfs/dbraw/zinc/30/59/10/211305910.db2.gz XUEJVFUPKGXCJM-BSLVTKGXSA-N 0 3 382.533 2.057 50 0 GEAAHN Cc1ccccc1CN(C)C(=O)CN[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000095941374 211284489 /nfs/dbraw/zinc/28/44/89/211284489.db2.gz GEIXSHDTIQYZDK-DHIUTWEWSA-N 0 3 395.547 2.426 50 0 GEAAHN CCN(CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095528687 211276003 /nfs/dbraw/zinc/27/60/03/211276003.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 0 3 384.520 2.299 50 0 GEAAHN COc1cc(CN2CCOC(C)(C)C2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095527930 211273434 /nfs/dbraw/zinc/27/34/34/211273434.db2.gz RPTDCMHAZKIXGI-SFHVURJKSA-N 0 3 378.513 2.142 50 0 GEAAHN Cc1ccc(CNC(=O)CCN2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 ZINC000095525588 211272463 /nfs/dbraw/zinc/27/24/63/211272463.db2.gz VORYHENLVVMVDV-NFBKMPQASA-N 0 3 380.488 2.472 50 0 GEAAHN O=C(c1ccc(OC2CCN(CCn3cnnc3)CC2)cc1)N1CCCCC1 ZINC000095521247 211266126 /nfs/dbraw/zinc/26/61/26/211266126.db2.gz FUHKZLUHXYFRJR-UHFFFAOYSA-N 0 3 383.496 2.448 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c3ccccc23)C1 ZINC000095496593 211251673 /nfs/dbraw/zinc/25/16/73/211251673.db2.gz KGIBTVSTPVMCHE-MRXNPFEDSA-N 0 3 393.491 2.306 50 0 GEAAHN CCN(Cc1ccc(OC[C@H](O)CN2CCSCC2)c(OC)c1)C1CC1 ZINC000095503897 211254854 /nfs/dbraw/zinc/25/48/54/211254854.db2.gz ZXNXELXLQDWYMF-GOSISDBHSA-N 0 3 380.554 2.468 50 0 GEAAHN Cc1nc2ccccn2c1C(=O)N1CCC[C@@H](c2nccn2CCN(C)C)C1 ZINC000095383853 211233642 /nfs/dbraw/zinc/23/36/42/211233642.db2.gz WLYPAHVYQPNIQK-QGZVFWFLSA-N 0 3 380.496 2.421 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3cccc(=O)[nH]3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095367187 211226891 /nfs/dbraw/zinc/22/68/91/211226891.db2.gz JMDJSFOAELSWHN-IOMROCGXSA-N 0 3 379.460 2.086 50 0 GEAAHN Cc1cc(-c2ccccc2)nc(CN2CCN(C)[C@]3(C2)CCNC(=O)CC3)n1 ZINC000092077100 211214975 /nfs/dbraw/zinc/21/49/75/211214975.db2.gz FXXLVRPPUGLDCY-QFIPXVFZSA-N 0 3 379.508 2.238 50 0 GEAAHN CC(C)c1cc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)nc2ncnn21 ZINC000091645125 211200671 /nfs/dbraw/zinc/20/06/71/211200671.db2.gz OGOCKYLYZDMSSZ-QGZVFWFLSA-N 0 3 378.480 2.467 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc(Cl)c(F)c3)C[C@H]2CCCO)CC1 ZINC000091620120 211199219 /nfs/dbraw/zinc/19/92/19/211199219.db2.gz SYWXRLGDNLOGHV-APWZRJJASA-N 0 3 397.922 2.330 50 0 GEAAHN O=C(CSCCN1CCCC1)N1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091563463 211195870 /nfs/dbraw/zinc/19/58/70/211195870.db2.gz HZXPEDCRCXAPPM-FQEVSTJZSA-N 0 3 379.570 2.209 50 0 GEAAHN CN1CCN(Cc2cncn2Cc2ccccc2)C[C@]12CCC(=O)N(C)CC2 ZINC000091593393 211195816 /nfs/dbraw/zinc/19/58/16/211195816.db2.gz UWVUMSIBCGQDRB-JOCHJYFZSA-N 0 3 381.524 2.060 50 0 GEAAHN Cn1c(CN2CCN(C)CC2)nnc1C1CCN(Cc2cccc(F)c2)CC1 ZINC000091726105 211205335 /nfs/dbraw/zinc/20/53/35/211205335.db2.gz YGLSKROFBLPSNV-UHFFFAOYSA-N 0 3 386.519 2.081 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(Cl)c2)C[C@@H]1CO ZINC000091526805 211194741 /nfs/dbraw/zinc/19/47/41/211194741.db2.gz YTVLSBRIHXJUCK-ZIAGYGMSSA-N 0 3 375.296 2.252 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)Cc3ccc(Cl)cc3)C[C@H]2CCCO)CC1 ZINC000091494587 211193740 /nfs/dbraw/zinc/19/37/40/211193740.db2.gz BJIJRPRAUDCMMX-QUCCMNQESA-N 0 3 393.959 2.120 50 0 GEAAHN Cc1onc2c1c(C)nn(CCC(=O)NCCCN(C)Cc1ccccc1)c2=O ZINC000085602520 211177274 /nfs/dbraw/zinc/17/72/74/211177274.db2.gz HGOFKWUAWRRAPG-UHFFFAOYSA-N 0 3 397.479 2.030 50 0 GEAAHN CC[C@H](C)[C@H](N)C(=O)N1CCC2(CC(=O)N(Cc3cccc(OC)c3)C2)CC1 ZINC000077456580 211134068 /nfs/dbraw/zinc/13/40/68/211134068.db2.gz WHDNJBMOQMGUKP-JXFKEZNVSA-N 0 3 387.524 2.410 50 0 GEAAHN O=C(CCCn1cnnn1)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000072418793 211116319 /nfs/dbraw/zinc/11/63/19/211116319.db2.gz WFXUKANXKZQYND-OAQYLSRUSA-N 0 3 382.512 2.358 50 0 GEAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCN(C2CCCC2)[C@H](CCO)C1 ZINC000072470017 211122631 /nfs/dbraw/zinc/12/26/31/211122631.db2.gz FXCUVTPPPRKWFG-QGZVFWFLSA-N 0 3 377.529 2.487 50 0 GEAAHN CC(C)[C@H]1CN(C(=O)CN2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000072143441 211076791 /nfs/dbraw/zinc/07/67/91/211076791.db2.gz ALDIBLJGGUIALR-HXUWFJFHSA-N 0 3 377.504 2.217 50 0 GEAAHN CN1CCNC(=O)C12CCN(Cc1c(-c3ccccc3)nc3ccccn31)CC2 ZINC000067955422 211031147 /nfs/dbraw/zinc/03/11/47/211031147.db2.gz OFHFPUAAOQATSP-UHFFFAOYSA-N 0 3 389.503 2.398 50 0 GEAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cnc2ccccn12 ZINC000067975373 211030847 /nfs/dbraw/zinc/03/08/47/211030847.db2.gz KGISHVXDOOUQTJ-HSZRJFAPSA-N 0 3 392.503 2.410 50 0 GEAAHN Cc1nccn1C[C@@H](C)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067851128 211024467 /nfs/dbraw/zinc/02/44/67/211024467.db2.gz LHOZNUXOFTXMJE-GOSISDBHSA-N 0 3 391.523 2.486 50 0 GEAAHN O=C1N(CCCc2ccccc2)CCC[C@@]1(O)CNCc1cnn2ccccc12 ZINC000067834027 211023267 /nfs/dbraw/zinc/02/32/67/211023267.db2.gz SLXIHFZYSMWTPV-HSZRJFAPSA-N 0 3 392.503 2.410 50 0 GEAAHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCC(O)(CO)CC1 ZINC000067885407 211026962 /nfs/dbraw/zinc/02/69/62/211026962.db2.gz HCEACWILEYNFCN-UHFFFAOYSA-N 0 3 380.488 2.204 50 0 GEAAHN Cc1cccc(-c2c[nH]nc2C2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c1 ZINC000067742137 211019984 /nfs/dbraw/zinc/01/99/84/211019984.db2.gz HYJXZJXCQJSIQD-IBGZPJMESA-N 0 3 378.480 2.384 50 0 GEAAHN CCCCOC(=O)N[C@H]1CN[C@H](C(=O)N2CCc3c4ccccc4[nH]c3C2)C1 ZINC000067725604 211019245 /nfs/dbraw/zinc/01/92/45/211019245.db2.gz JVUTTYWMNYWIBF-KDOFPFPSSA-N 0 3 384.480 2.309 50 0 GEAAHN NC1(C(=O)N2CCC(n3nccc3NC(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000067714401 211016562 /nfs/dbraw/zinc/01/65/62/211016562.db2.gz YPDAAWGHFQTZBS-UHFFFAOYSA-N 0 3 386.431 2.321 50 0 GEAAHN CN(C)CCN1C[C@H](C(=O)NCCc2ccc(C(F)(F)F)cc2)CCC1=O ZINC000067654511 211015625 /nfs/dbraw/zinc/01/56/25/211015625.db2.gz VGHFBTPWGLJWGX-OAHLLOKOSA-N 0 3 385.430 2.164 50 0 GEAAHN CN1CCCN(CC(=O)N2CCC(c3n[nH]cc3-c3ccccc3)CC2)CC1 ZINC000067460381 211010115 /nfs/dbraw/zinc/01/01/15/211010115.db2.gz QRDVXYXPLWZOHJ-UHFFFAOYSA-N 0 3 381.524 2.420 50 0 GEAAHN CN1CCCN(CC(=O)N2CCC(c3[nH]ncc3-c3ccccc3)CC2)CC1 ZINC000067460381 211010118 /nfs/dbraw/zinc/01/01/18/211010118.db2.gz QRDVXYXPLWZOHJ-UHFFFAOYSA-N 0 3 381.524 2.420 50 0 GEAAHN CN1CCC(NC(=O)CCCN(c2cccc(Cl)c2)S(C)(=O)=O)CC1 ZINC000067602225 211012572 /nfs/dbraw/zinc/01/25/72/211012572.db2.gz NVNZLNOZLVGLAA-UHFFFAOYSA-N 0 3 387.933 2.097 50 0 GEAAHN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCCC1 ZINC000048128635 210845820 /nfs/dbraw/zinc/84/58/20/210845820.db2.gz NNGWWLZRYVICGF-HNNXBMFYSA-N 0 3 379.526 2.122 50 0 GEAAHN CCn1nc(C(=O)N2CCCN(C)CC2)c2c1CC[C@H](N1CCC(C)CC1)C2 ZINC000020877579 210364072 /nfs/dbraw/zinc/36/40/72/210364072.db2.gz FQSCOUVNIMROJH-SFHVURJKSA-N 0 3 387.572 2.270 50 0 GEAAHN CCN1CCN(C2CCN(Cc3nc(Cc4cccc(F)c4)no3)CC2)CC1 ZINC000020293815 210326590 /nfs/dbraw/zinc/32/65/90/210326590.db2.gz XOVDENHZHVYIGF-UHFFFAOYSA-N 0 3 387.503 2.401 50 0 GEAAHN O=C1C[C@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020405415 210331792 /nfs/dbraw/zinc/33/17/92/210331792.db2.gz IMMBZXHOHDEYNV-NMLACTOBSA-N 0 3 376.416 2.241 50 0 GEAAHN O=C([C@H]1CCC(=O)N(Cc2ccccn2)C1)N1CCN(CC2CCCC2)CC1 ZINC000019740199 210292205 /nfs/dbraw/zinc/29/22/05/210292205.db2.gz LSUBJUDQCLJJSY-IBGZPJMESA-N 0 3 384.524 2.155 50 0 GEAAHN CC(C)(N)c1cn(CC2CCN(c3cc(C(=O)N4CCCC4)ccn3)CC2)nn1 ZINC000019595614 210274876 /nfs/dbraw/zinc/27/48/76/210274876.db2.gz YIMJQKIXJGINKF-UHFFFAOYSA-N 0 3 397.527 2.020 50 0 GEAAHN COc1ccc(/C=C/CN2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1 ZINC000011838859 221131302 /nfs/dbraw/zinc/13/13/02/221131302.db2.gz TXERULZTMMNTJI-SNAWJCMRSA-N 0 3 397.523 2.173 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCC(=O)N(C)C)C1 ZINC000011933867 221137284 /nfs/dbraw/zinc/13/72/84/221137284.db2.gz BPAYIYJPRGTHIG-GOSISDBHSA-N 0 3 389.540 2.277 50 0 GEAAHN Cc1ccc(N2CC(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000067340773 136164681 /nfs/dbraw/zinc/16/46/81/136164681.db2.gz ZAVFGGGEORYFEJ-IBGZPJMESA-N 0 3 386.473 2.148 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NC[C@@H](O)c3ccc(O)cc3)CC2)c1 ZINC000095384470 136178800 /nfs/dbraw/zinc/17/88/00/136178800.db2.gz HGVZRALHHCEJEF-OAQYLSRUSA-N 0 3 383.492 2.063 50 0 GEAAHN C[C@@H]1CCCCN1CCNC(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387300 136186770 /nfs/dbraw/zinc/18/67/70/136186770.db2.gz GDCZWXNKCORVDJ-IAGOWNOFSA-N 0 3 382.512 2.232 50 0 GEAAHN CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000025184319 136202769 /nfs/dbraw/zinc/20/27/69/136202769.db2.gz TWLQEMWQOREMFR-FYYLOGMGSA-N 0 3 390.487 2.135 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nc(C)n1 ZINC000067602024 222150363 /nfs/dbraw/zinc/15/03/63/222150363.db2.gz KSFQHUIOTFANPK-UHFFFAOYSA-N 0 3 397.451 2.006 50 0 GEAAHN CCN(CC)C(=O)[C@H]1CCCN(c2nc(-c3ccncc3)nc3c2CCNC3)C1 ZINC000071764209 535467336 /nfs/dbraw/zinc/46/73/36/535467336.db2.gz NKWYVUKDJYJIOK-KRWDZBQOSA-N 0 3 394.523 2.269 50 0 GEAAHN CCNc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)nc(C)n1 ZINC000065363762 535522622 /nfs/dbraw/zinc/52/26/22/535522622.db2.gz CKNUVEOVNYHDRJ-UHFFFAOYSA-N 0 3 393.447 2.286 50 0 GEAAHN Cc1ccc(N2CCN(Cc3nc(C(=O)NCCN(C)C)cs3)CC2)cc1 ZINC000034669234 570293125 /nfs/dbraw/zinc/29/31/25/570293125.db2.gz MZCZVDHBIRVNQN-UHFFFAOYSA-N 0 3 387.553 2.065 50 0 GEAAHN CN(C)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CN2CCCC2)c1 ZINC000216327012 570299056 /nfs/dbraw/zinc/29/90/56/570299056.db2.gz OBCGOFMPCDYYPO-KRWDZBQOSA-N 0 3 379.526 2.027 50 0 GEAAHN O=C(NCC1CCN([C@H]2CCOC2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000575415649 570306107 /nfs/dbraw/zinc/30/61/07/570306107.db2.gz MRGAOTPCWFOBRD-INIZCTEOSA-N 0 3 399.413 2.261 50 0 GEAAHN CN(C)S(=O)(=O)c1ccc(-c2ccc(CNCCN3CCCC3)o2)cc1 ZINC000022932139 570337237 /nfs/dbraw/zinc/33/72/37/570337237.db2.gz FRBHRSSZXXZRIZ-UHFFFAOYSA-N 0 3 377.510 2.382 50 0 GEAAHN CN1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cnc4ncnn4c3)cc1)C2 ZINC000584903962 570350664 /nfs/dbraw/zinc/35/06/64/570350664.db2.gz MUGNOFQSZMKVLO-OAQYLSRUSA-N 0 3 376.464 2.349 50 0 GEAAHN Cn1c2nc(SCCN3CCCCC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O ZINC000004102974 570357372 /nfs/dbraw/zinc/35/73/72/570357372.db2.gz ICOKNLSKOXBDGH-UHFFFAOYSA-N 0 3 399.520 2.050 50 0 GEAAHN CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccccc2CN(C)C)cc1 ZINC000024810311 570393963 /nfs/dbraw/zinc/39/39/63/570393963.db2.gz PMXGKILSBCLAQA-UHFFFAOYSA-N 0 3 375.494 2.228 50 0 GEAAHN COc1ccc(CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000025065841 570405060 /nfs/dbraw/zinc/40/50/60/570405060.db2.gz NSXYDMSQUMQSED-QGZVFWFLSA-N 0 3 380.444 2.317 50 0 GEAAHN CCc1ccc([C@@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)N(C)C)cc1 ZINC000025382933 570412455 /nfs/dbraw/zinc/41/24/55/570412455.db2.gz BHUKYLMQDURVMD-OAQYLSRUSA-N 0 3 392.503 2.458 50 0 GEAAHN CCc1ccc([C@H](CNC(=O)Cc2nn(C)c(=O)c3ccccc23)N(C)C)cc1 ZINC000025382937 570412507 /nfs/dbraw/zinc/41/25/07/570412507.db2.gz BHUKYLMQDURVMD-NRFANRHFSA-N 0 3 392.503 2.458 50 0 GEAAHN CN(C)CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2cccc(Cl)c2n1 ZINC000223908732 570489671 /nfs/dbraw/zinc/48/96/71/570489671.db2.gz ADUYHEUBNOGXGO-NVXWUHKLSA-N 0 3 377.872 2.354 50 0 GEAAHN Cc1cc(C)n(-c2nc(Nc3ccc(Br)cc3)[nH]c(=NN)n2)n1 ZINC000034925107 570548207 /nfs/dbraw/zinc/54/82/07/570548207.db2.gz GKWIRVSCTLXSLL-UHFFFAOYSA-N 0 3 375.234 2.466 50 0 GEAAHN CC(=O)NC1CCN(C[C@@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)CC1 ZINC000225514104 570582393 /nfs/dbraw/zinc/58/23/93/570582393.db2.gz PLVAQMXKZZLHIY-GOSISDBHSA-N 0 3 390.528 2.366 50 0 GEAAHN COCCN1CCC(CN(C)C(=O)c2cn(Cc3ccccc3C)nn2)CC1 ZINC000012003112 570598343 /nfs/dbraw/zinc/59/83/43/570598343.db2.gz VGRHYCPCGLBQCJ-UHFFFAOYSA-N 0 3 385.512 2.065 50 0 GEAAHN COc1ccc(-c2nn(-c3ccccc3)cc2CN(CCO)CCO)c(F)c1 ZINC000012090983 570607056 /nfs/dbraw/zinc/60/70/56/570607056.db2.gz HJADJQYKVJEJHL-UHFFFAOYSA-N 0 3 385.439 2.474 50 0 GEAAHN O=C(NCc1nnc2n1CCN(CCCc1ccccc1)CC2)c1ccccn1 ZINC000012099322 570608648 /nfs/dbraw/zinc/60/86/48/570608648.db2.gz WQNBFHKGDDNJBD-UHFFFAOYSA-N 0 3 390.491 2.094 50 0 GEAAHN CCCN1CCN(CCCNC(=O)c2noc3c2COc2ccccc2-3)CC1 ZINC000033028820 570666754 /nfs/dbraw/zinc/66/67/54/570666754.db2.gz RWXXNKYKZCHIAM-UHFFFAOYSA-N 0 3 384.480 2.382 50 0 GEAAHN COc1cc(C)ccc1OCCN1CCN(C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230191111 570668392 /nfs/dbraw/zinc/66/83/92/570668392.db2.gz DCOGQJWSBGVDDY-OAQYLSRUSA-N 0 3 375.513 2.011 50 0 GEAAHN Cc1sc2nc(CN3CCOCC3)nc(N3CCCN(C)CC3)c2c1C ZINC000046341326 570670929 /nfs/dbraw/zinc/67/09/29/570670929.db2.gz IWQWCNAYUVDVFO-UHFFFAOYSA-N 0 3 375.542 2.282 50 0 GEAAHN Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000008230453 570679171 /nfs/dbraw/zinc/67/91/71/570679171.db2.gz JAENMZXRADFQOA-IBGZPJMESA-N 0 3 389.521 2.083 50 0 GEAAHN CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[n-]c(=O)n1 ZINC000012571488 570680786 /nfs/dbraw/zinc/68/07/86/570680786.db2.gz GAUJEOFEYVENIC-SFHVURJKSA-N 0 3 394.519 2.330 50 0 GEAAHN CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[n-]c(=O)n1 ZINC000012571488 570680788 /nfs/dbraw/zinc/68/07/88/570680788.db2.gz GAUJEOFEYVENIC-SFHVURJKSA-N 0 3 394.519 2.330 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)on2)CC1 ZINC000012708491 570701609 /nfs/dbraw/zinc/70/16/09/570701609.db2.gz MEZGIEALJLYXKD-QGZVFWFLSA-N 0 3 376.501 2.216 50 0 GEAAHN O=C(NCCN1CCCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065255966 570754831 /nfs/dbraw/zinc/75/48/31/570754831.db2.gz GGPSFZGMJUUKPR-HXUWFJFHSA-N 0 3 379.508 2.058 50 0 GEAAHN CCc1nnc(-c2nnc(NCCCN3CCN(C)CC3)c3ccccc32)o1 ZINC000065258201 570759845 /nfs/dbraw/zinc/75/98/45/570759845.db2.gz PYTXLHYSRFBRGX-UHFFFAOYSA-N 0 3 381.484 2.292 50 0 GEAAHN O=C(c1cc(-c2ccc(Cl)cc2)nc2ncnn21)N1CCN2CCC[C@H]2C1 ZINC000036619540 570761944 /nfs/dbraw/zinc/76/19/44/570761944.db2.gz MBECZNJZMFYGIM-HNNXBMFYSA-N 0 3 382.855 2.365 50 0 GEAAHN COc1cc(Cn2cnc3sc4c(c3c2=O)CCNC4)cc(OC)c1OC ZINC000065381541 570762965 /nfs/dbraw/zinc/76/29/65/570762965.db2.gz YSKRESMNHICNRR-UHFFFAOYSA-N 0 3 387.461 2.178 50 0 GEAAHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000170597844 570856099 /nfs/dbraw/zinc/85/60/99/570856099.db2.gz VDDFYRUAOSYGIE-USTZCAOPSA-N 0 3 379.545 2.124 50 0 GEAAHN CNC(=O)c1cccc(NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c2ccccc2)c1C ZINC000044174321 570868455 /nfs/dbraw/zinc/86/84/55/570868455.db2.gz JAPJGUKZQDTNFP-PXNSSMCTSA-N 0 3 398.507 2.388 50 0 GEAAHN NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000076069762 570919589 /nfs/dbraw/zinc/91/95/89/570919589.db2.gz FBKAHYAKHWFSRO-IAGOWNOFSA-N 0 3 376.526 2.053 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)N1CCC(N2CCOCC2)CC1)c1ccco1 ZINC000534664246 570922731 /nfs/dbraw/zinc/92/27/31/570922731.db2.gz IVIWHOPEIKGHRA-SFHVURJKSA-N 0 3 378.517 2.169 50 0 GEAAHN CCN(CC)[C@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000046945901 570937886 /nfs/dbraw/zinc/93/78/86/570937886.db2.gz AXWUYMGIKMADFC-HZPDHXFCSA-N 0 3 387.571 2.061 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000046945900 570938319 /nfs/dbraw/zinc/93/83/19/570938319.db2.gz AXWUYMGIKMADFC-CVEARBPZSA-N 0 3 387.571 2.061 50 0 GEAAHN CCc1ccc(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1 ZINC000032932855 570945468 /nfs/dbraw/zinc/94/54/68/570945468.db2.gz RQGOVHZYNACHAW-UHFFFAOYSA-N 0 3 387.549 2.475 50 0 GEAAHN Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000106166907 570949376 /nfs/dbraw/zinc/94/93/76/570949376.db2.gz BOLFQRDNJHMMDZ-JKSUJKDBSA-N 0 3 390.434 2.360 50 0 GEAAHN CC[C@@H](C)[C@H](C(=O)NCCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000084721604 571033414 /nfs/dbraw/zinc/03/34/14/571033414.db2.gz VKCQPJVBMYPIDZ-CTNGQTDRSA-N 0 3 375.557 2.323 50 0 GEAAHN CCOc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(CC)CC2)C(C)C)cc1 ZINC000011527081 571093810 /nfs/dbraw/zinc/09/38/10/571093810.db2.gz IGRIXAAAXUNHPN-LJQANCHMSA-N 0 3 375.513 2.440 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H]1CC[C@H](Cn2cnnn2)CC1 ZINC000238882062 231038068 /nfs/dbraw/zinc/03/80/68/231038068.db2.gz CFOZSUCGWGPVGW-WGSAOQKQSA-N 0 3 382.512 2.260 50 0 GEAAHN Cc1ccc(F)c(CN2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000426473688 231224764 /nfs/dbraw/zinc/22/47/64/231224764.db2.gz USTZCNVMRBIYGG-KRWDZBQOSA-N 0 3 387.503 2.474 50 0 GEAAHN Cc1cc(=O)[n-]c(CCNC(=O)N(C)Cc2ccccc2C[NH+]2CCCC2)n1 ZINC000426716867 231255854 /nfs/dbraw/zinc/25/58/54/231255854.db2.gz KOOWSKXRFMJSSK-UHFFFAOYSA-N 0 3 383.496 2.471 50 0 GEAAHN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCN1CCCC1 ZINC000015883698 210177101 /nfs/dbraw/zinc/17/71/01/210177101.db2.gz LWQPKORBTDXKPY-UHFFFAOYSA-N 0 3 376.526 2.019 50 0 GEAAHN COCCNC(=O)CCC1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000015073835 210149750 /nfs/dbraw/zinc/14/97/50/210149750.db2.gz YDXHXEDSZPASPL-UHFFFAOYSA-N 0 3 394.512 2.467 50 0 GEAAHN Cc1noc(C)c1CCCNC(=O)c1ccc(N2CCN3CCC[C@@H]3C2)nc1 ZINC000015067934 210148336 /nfs/dbraw/zinc/14/83/36/210148336.db2.gz CRSSBBMYYQBZLV-GOSISDBHSA-N 0 3 383.496 2.333 50 0 GEAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014745980 210126186 /nfs/dbraw/zinc/12/61/86/210126186.db2.gz SFTDSIPIFRWWCY-UHFFFAOYSA-N 0 3 389.496 2.293 50 0 GEAAHN Cc1ccc(CN[C@H]2CCc3c(c(C(=O)NCc4ccncc4)nn3C)C2)o1 ZINC000014742253 210124305 /nfs/dbraw/zinc/12/43/05/210124305.db2.gz VBWYWLDHHCCZRK-INIZCTEOSA-N 0 3 379.464 2.294 50 0 GEAAHN COC(=O)c1ccc(NC(=O)N2CCN(CC(C)C)[C@H](CCO)C2)c(C)c1 ZINC000299801090 212040851 /nfs/dbraw/zinc/04/08/51/212040851.db2.gz VSFCTEFHYAPJBJ-QGZVFWFLSA-N 0 3 377.485 2.338 50 0 GEAAHN Cc1ccsc1-c1cccc(C(=O)N2CCN(C[C@H](O)CN(C)C)CC2)c1 ZINC000299801430 212040871 /nfs/dbraw/zinc/04/08/71/212040871.db2.gz YXKHHOBRUAWXIY-LJQANCHMSA-N 0 3 387.549 2.404 50 0 GEAAHN COC(=O)c1ccc(NC(=O)N2CCN(CC(C)C)[C@@H](CCO)C2)c(C)c1 ZINC000299801088 212040278 /nfs/dbraw/zinc/04/02/78/212040278.db2.gz VSFCTEFHYAPJBJ-KRWDZBQOSA-N 0 3 377.485 2.338 50 0 GEAAHN Cn1cc(CNC[C@@H]2CN(C3CC3)CCO2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000106379930 209162269 /nfs/dbraw/zinc/16/22/69/209162269.db2.gz UTWOIJJMFPGUQE-LJQANCHMSA-N 0 3 398.507 2.201 50 0 GEAAHN CCNC(=O)[C@@H]1C[C@H](NC(=O)Cc2cccc(F)c2)CN1C1CCCCC1 ZINC000096166784 211315743 /nfs/dbraw/zinc/31/57/43/211315743.db2.gz QVMSCOSBEXBMMA-HKUYNNGSSA-N 0 3 375.488 2.396 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1cn3ccsc3n1)CC2 ZINC000096148365 211310489 /nfs/dbraw/zinc/31/04/89/211310489.db2.gz XSVAGYVEAAPFML-UHFFFAOYSA-N 0 3 398.536 2.447 50 0 GEAAHN Cc1nccn1Cc1nnc(C2CCN(Cc3cncn3C3CC3)CC2)n1C ZINC000096131458 211304070 /nfs/dbraw/zinc/30/40/70/211304070.db2.gz KSJDMXOZOVXCRB-UHFFFAOYSA-N 0 3 380.500 2.279 50 0 GEAAHN C[C@H](NC1(CNC(=O)CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000095959274 211287887 /nfs/dbraw/zinc/28/78/87/211287887.db2.gz GXNKTKXIRVOENT-INIZCTEOSA-N 0 3 385.464 2.026 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)S(=O)(=O)N2CCCC2)C1 ZINC000095517633 211263989 /nfs/dbraw/zinc/26/39/89/211263989.db2.gz ZABXRXSRIMZYNQ-GOSISDBHSA-N 0 3 395.569 2.222 50 0 GEAAHN Cc1cc(C)n(CC(=O)N(CCc2ccccc2)C[C@H]2CCCN(C)C2)c(=O)n1 ZINC000095531611 211276280 /nfs/dbraw/zinc/27/62/80/211276280.db2.gz LNOFDJYQCOZSRD-NRFANRHFSA-N 0 3 396.535 2.273 50 0 GEAAHN CN(C[C@@H]1CCCN(CCc2ccc(F)cc2)C1)S(=O)(=O)N1CCCC1 ZINC000095530949 211274760 /nfs/dbraw/zinc/27/47/60/211274760.db2.gz WAXLAVBLYKBQGV-SFHVURJKSA-N 0 3 383.533 2.353 50 0 GEAAHN COc1ccc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cc1O ZINC000095526232 211271820 /nfs/dbraw/zinc/27/18/20/211271820.db2.gz CDZRUBRUAFATRV-UHFFFAOYSA-N 0 3 396.491 2.410 50 0 GEAAHN O=C1CC2(CN1Cc1cc(F)cc(F)c1)CCN(C[C@H]1COCCO1)CC2 ZINC000095521849 211266793 /nfs/dbraw/zinc/26/67/93/211266793.db2.gz JRZWCCKWHCVOCV-SFHVURJKSA-N 0 3 380.435 2.195 50 0 GEAAHN COc1cc(CN(C)Cc2c[nH]nc2C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095512967 211261874 /nfs/dbraw/zinc/26/18/74/211261874.db2.gz JOCSGUINKUENMU-IBGZPJMESA-N 0 3 388.512 2.194 50 0 GEAAHN CN1CCN(Cc2ccc(OC[C@H](O)CN3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259407 /nfs/dbraw/zinc/25/94/07/211259407.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 0 3 395.547 2.232 50 0 GEAAHN COc1cc(CN2CCC(F)CC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000095504932 211257216 /nfs/dbraw/zinc/25/72/16/211257216.db2.gz ZFUQYGCHMKPKGH-GOSISDBHSA-N 0 3 398.544 2.418 50 0 GEAAHN COc1ccc(CN2CCCC2(C)C)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000095498750 211252893 /nfs/dbraw/zinc/25/28/93/211252893.db2.gz JPCYGAMKHRYOSA-LJQANCHMSA-N 0 3 391.556 2.057 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cccc4cccnc43)C[C@H]2CCCO)CC1 ZINC000095389444 211236451 /nfs/dbraw/zinc/23/64/51/211236451.db2.gz QTUCLPKTVKWGEI-CTNGQTDRSA-N 0 3 396.535 2.085 50 0 GEAAHN CN1CCC2(CCCN2C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 ZINC000095454231 211242491 /nfs/dbraw/zinc/24/24/91/211242491.db2.gz WAUWMZXAXBMZEJ-UHFFFAOYSA-N 0 3 391.537 2.172 50 0 GEAAHN CN1CCN(Cc2cnc(-c3ccccc3)nc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000095358976 211223285 /nfs/dbraw/zinc/22/32/85/211223285.db2.gz XRDSTIOPENYEMD-QFIPXVFZSA-N 0 3 379.508 2.272 50 0 GEAAHN COc1cccc([C@H]2CN(c3ncccc3C(N)=O)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095384354 211235428 /nfs/dbraw/zinc/23/54/28/211235428.db2.gz JBEHWBFFUJVRCI-VAMGGRTRSA-N 0 3 378.476 2.256 50 0 GEAAHN Cc1cccc2nc(C(=O)N3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)c(F)n21 ZINC000095367237 211228360 /nfs/dbraw/zinc/22/83/60/211228360.db2.gz QBSCLZUWUSWRGD-DOTOQJQBSA-N 0 3 386.471 2.497 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc(Cl)cc3)C[C@H]2CCCO)CC1 ZINC000091876902 211211050 /nfs/dbraw/zinc/21/10/50/211211050.db2.gz CUHHXZKAXIVPNX-MJGOQNOKSA-N 0 3 379.932 2.191 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000091829093 211207303 /nfs/dbraw/zinc/20/73/03/211207303.db2.gz OLMXXGOMVNDUMW-LJQANCHMSA-N 0 3 390.487 2.311 50 0 GEAAHN Cc1cccc(-c2ncc(CN3CCN(C)[C@]4(C3)CCNC(=O)CC4)cn2)c1 ZINC000091745542 211205299 /nfs/dbraw/zinc/20/52/99/211205299.db2.gz NNCDHGNYXFNCRI-QFIPXVFZSA-N 0 3 379.508 2.238 50 0 GEAAHN CN(C)[C@@H](C(=O)NCC1(N2CCN(C)CC2)CCCC1)c1ccccc1F ZINC000091486574 211194596 /nfs/dbraw/zinc/19/45/96/211194596.db2.gz OFGSQUZNLJKMEY-LJQANCHMSA-N 0 3 376.520 2.105 50 0 GEAAHN C[C@@H](CCN1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000091433858 211192836 /nfs/dbraw/zinc/19/28/36/211192836.db2.gz JRLSFCGALUVGTR-INIZCTEOSA-N 0 3 376.526 2.332 50 0 GEAAHN CN(C)CCN1C[C@]2(CCCN(C(=O)c3cccc(N(C)C)c3)C2)CCC1=O ZINC000082115665 211161918 /nfs/dbraw/zinc/16/19/18/211161918.db2.gz DQVYRNJVDRFTMH-QFIPXVFZSA-N 0 3 386.540 2.159 50 0 GEAAHN COCCN1CCC(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)CC1 ZINC000082098723 211159967 /nfs/dbraw/zinc/15/99/67/211159967.db2.gz KDZFMZRYMCNUHA-UHFFFAOYSA-N 0 3 376.497 2.423 50 0 GEAAHN O=C1CC[C@]2(CCCN(Cc3cccc(Cn4cccn4)c3)C2)CN1CCO ZINC000077486883 211135990 /nfs/dbraw/zinc/13/59/90/211135990.db2.gz LWDOULBHDAEKBN-QFIPXVFZSA-N 0 3 382.508 2.128 50 0 GEAAHN COc1ccc2[nH]nc(C(=O)N3CCC([C@@H](C)N4CCN(C)CC4)CC3)c2c1 ZINC000077408072 211131979 /nfs/dbraw/zinc/13/19/79/211131979.db2.gz ARGVFTXOYZAFKM-OAHLLOKOSA-N 0 3 385.512 2.060 50 0 GEAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCCCN1CCc2ccccc2C1 ZINC000072277039 211085583 /nfs/dbraw/zinc/08/55/83/211085583.db2.gz NXPKXYXAYULTNQ-UHFFFAOYSA-N 0 3 380.448 2.013 50 0 GEAAHN Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000072171683 211082043 /nfs/dbraw/zinc/08/20/43/211082043.db2.gz QCDWABCRSBQUBB-IBGZPJMESA-N 0 3 382.508 2.143 50 0 GEAAHN Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000072171683 211082046 /nfs/dbraw/zinc/08/20/46/211082046.db2.gz QCDWABCRSBQUBB-IBGZPJMESA-N 0 3 382.508 2.143 50 0 GEAAHN Cc1cccc2nc(C(=O)N3CCC4(CC3)c3ccccc3[C@@H](N)[C@@H]4O)cn21 ZINC000072131951 211071912 /nfs/dbraw/zinc/07/19/12/211071912.db2.gz FMNLZDLNYKAQFA-UXHICEINSA-N 0 3 376.460 2.191 50 0 GEAAHN COc1ccc(-c2nc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)c(C)o2)c(F)c1 ZINC000071747145 211054483 /nfs/dbraw/zinc/05/44/83/211054483.db2.gz OJGVCYXCYSDVMC-OALUTQOASA-N 0 3 375.444 2.439 50 0 GEAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(N2[C@@H]3CC[C@H]2CNC3)nc1 ZINC000071751225 211056427 /nfs/dbraw/zinc/05/64/27/211056427.db2.gz FRSZDSSMLRWMDE-HDICACEKSA-N 0 3 382.512 2.162 50 0 GEAAHN CC(C)C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)c1nnc2n1CCNCC2 ZINC000067974289 211032128 /nfs/dbraw/zinc/03/21/28/211032128.db2.gz ZOPWPURESBSYKM-HNNXBMFYSA-N 0 3 395.463 2.047 50 0 GEAAHN CC[C@H]1CN(C(=O)c2cc(COc3ccc(OC)cc3Cl)[nH]n2)CCN1 ZINC000067981735 211031531 /nfs/dbraw/zinc/03/15/31/211031531.db2.gz ILGLIMDWDLYIEG-LBPRGKRZSA-N 0 3 378.860 2.475 50 0 GEAAHN CC[C@H]1CN(C(=O)c2cc(COc3ccc(OC)cc3Cl)n[nH]2)CCN1 ZINC000067981735 211031538 /nfs/dbraw/zinc/03/15/38/211031538.db2.gz ILGLIMDWDLYIEG-LBPRGKRZSA-N 0 3 378.860 2.475 50 0 GEAAHN COc1cc(-c2cccs2)cc2c1OCCN(C(=O)[C@@H](N)Cc1c[nH]cn1)C2 ZINC000067872564 211027390 /nfs/dbraw/zinc/02/73/90/211027390.db2.gz YETSSCQGBKZLHW-INIZCTEOSA-N 0 3 398.488 2.438 50 0 GEAAHN COc1cc(-c2cccs2)cc2c1OCCN(C(=O)[C@@H](N)Cc1cnc[nH]1)C2 ZINC000067872564 211027392 /nfs/dbraw/zinc/02/73/92/211027392.db2.gz YETSSCQGBKZLHW-INIZCTEOSA-N 0 3 398.488 2.438 50 0 GEAAHN Cc1ncsc1CCNC[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067847710 211025747 /nfs/dbraw/zinc/02/57/47/211025747.db2.gz ANLMQIDHOMAVRE-LJQANCHMSA-N 0 3 395.475 2.416 50 0 GEAAHN Cc1nccn1C[C@H](C)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067851130 211024914 /nfs/dbraw/zinc/02/49/14/211024914.db2.gz LHOZNUXOFTXMJE-SFHVURJKSA-N 0 3 391.523 2.486 50 0 GEAAHN CC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1 ZINC000067756640 211021296 /nfs/dbraw/zinc/02/12/96/211021296.db2.gz HYBHANMKCJUOQU-KRWDZBQOSA-N 0 3 385.468 2.045 50 0 GEAAHN CN(c1cccc(C(=O)NC2CCN(C)CC2)c1)S(=O)(=O)c1ccccc1 ZINC000067338919 211007872 /nfs/dbraw/zinc/00/78/72/211007872.db2.gz RXZIBMYCRXEQGT-UHFFFAOYSA-N 0 3 387.505 2.336 50 0 GEAAHN CCNc1cc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nc(C)n1 ZINC000067604248 211013636 /nfs/dbraw/zinc/01/36/36/211013636.db2.gz HRWZJZWQZNCRDS-UHFFFAOYSA-N 0 3 385.468 2.196 50 0 GEAAHN Cc1nc(NCCNC(=O)c2ccccc2Cl)cc(N2CCOCC2)n1 ZINC000067603707 211013160 /nfs/dbraw/zinc/01/31/60/211013160.db2.gz HKLYTTADPUZUKU-UHFFFAOYSA-N 0 3 375.860 2.117 50 0 GEAAHN CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@H](C)C3)ccc21 ZINC000067604252 211012936 /nfs/dbraw/zinc/01/29/36/211012936.db2.gz XCWPYUNMWVKEHQ-IYBDPMFKSA-N 0 3 393.553 2.242 50 0 GEAAHN C[C@@H](C(=O)NCCN1CCCC1)n1c2ccccc2nc(C(F)(F)F)c1=O ZINC000032944848 210606592 /nfs/dbraw/zinc/60/65/92/210606592.db2.gz FIPBGEDIQWVZQC-LBPRGKRZSA-N 0 3 382.386 2.188 50 0 GEAAHN Cc1nn(CCCC(=O)NCCN2CCCC[C@@H]2C)c(=O)c2cc3occc3n21 ZINC000020866565 210364812 /nfs/dbraw/zinc/36/48/12/210364812.db2.gz ZJDJBFRHQFDYFX-HNNXBMFYSA-N 0 3 399.495 2.321 50 0 GEAAHN O=C(CCn1c(=O)c2cccn2c2cccnc21)NCCN1CCCCCC1 ZINC000020512715 210344460 /nfs/dbraw/zinc/34/44/60/210344460.db2.gz PWTLYJRQGSHZDV-UHFFFAOYSA-N 0 3 381.480 2.032 50 0 GEAAHN CN1CCN(C2(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CCCCC2)CC1 ZINC000020412646 210330730 /nfs/dbraw/zinc/33/07/30/210330730.db2.gz GGVIQCRHQGEBKH-IBGZPJMESA-N 0 3 398.551 2.106 50 0 GEAAHN Cc1ccc2c(c1)c1c3n2CCN(C[C@H](O)CN2CCN(C)CC2)[C@H]3CCC1 ZINC000019940197 210310661 /nfs/dbraw/zinc/31/06/61/210310661.db2.gz ZJUNKOUVYZCWIZ-GCJKJVERSA-N 0 3 382.552 2.251 50 0 GEAAHN COc1ccc(CN2CCN(c3cc(C)nc(N)n3)C[C@H]2CCO)c(C)c1C ZINC000072418385 136169744 /nfs/dbraw/zinc/16/97/44/136169744.db2.gz ICJBFFQTNIIUTE-GOSISDBHSA-N 0 3 385.512 2.066 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nc(C)n1 ZINC000065365629 535521909 /nfs/dbraw/zinc/52/19/09/535521909.db2.gz XYMHDCKDZOAODR-UHFFFAOYSA-N 0 3 389.525 2.345 50 0 GEAAHN CCn1nnc(-c2cccc(NC(=O)N3CCN(c4ccncc4)CC3)c2)n1 ZINC000095503836 535909476 /nfs/dbraw/zinc/90/94/76/535909476.db2.gz GFVZBXKFFVBYIC-UHFFFAOYSA-N 0 3 378.440 2.109 50 0 GEAAHN CC(C(=O)N(C)C)S(=O)(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000046156765 570269606 /nfs/dbraw/zinc/26/96/06/570269606.db2.gz HMOZDJDYUMAUBO-NSHDSACASA-N 0 3 386.470 2.253 50 0 GEAAHN Cc1c(CNC(=O)[C@H]2[C@@H]3CN(Cc4ccnc5ccccc45)C[C@@H]32)cnn1C ZINC000102530983 570289510 /nfs/dbraw/zinc/28/95/10/570289510.db2.gz DYOPYYICLWKFBY-KXTWHKPSSA-N 0 3 375.476 2.271 50 0 GEAAHN CN(c1ccccc1)c1ccc(CN2C[C@H](O)[C@@H](N3CCN(C)CC3)C2)cc1 ZINC000215883941 570292906 /nfs/dbraw/zinc/29/29/06/570292906.db2.gz XBWFFUSCMRTIPH-GOTSBHOMSA-N 0 3 380.536 2.247 50 0 GEAAHN CCn1ccnc1CN1CCC(CCC(=O)NC[C@H]2CCCN2CC)CC1 ZINC000012301079 570298897 /nfs/dbraw/zinc/29/88/97/570298897.db2.gz BRKJWQAOIHMLON-LJQANCHMSA-N 0 3 375.561 2.496 50 0 GEAAHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005670218 570299239 /nfs/dbraw/zinc/29/92/39/570299239.db2.gz RRKTZKIUPZVBMF-PQZGIKSLSA-N 0 3 394.471 2.110 50 0 GEAAHN CNC(=O)c1cccc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)c1C ZINC000044174317 570333260 /nfs/dbraw/zinc/33/32/60/570333260.db2.gz JAPJGUKZQDTNFP-YLJYHZDGSA-N 0 3 398.507 2.388 50 0 GEAAHN Cc1c(CN2CCN(CC(C)C)[C@H](CCO)C2)c(=O)n(-c2ccccc2)n1C ZINC000022909935 570333817 /nfs/dbraw/zinc/33/38/17/570333817.db2.gz BWUXNFGWXSMBGX-HXUWFJFHSA-N 0 3 386.540 2.009 50 0 GEAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccccc3F)nc1=O)CCC2 ZINC000004851668 570347204 /nfs/dbraw/zinc/34/72/04/570347204.db2.gz BPDJISVBEQXVNJ-UHFFFAOYSA-N 0 3 390.484 2.164 50 0 GEAAHN CN1CC[C@]2(C1)CCCN(C(=O)c1ccc(-c3cnc4ncnn4c3)cc1)C2 ZINC000584903961 570350642 /nfs/dbraw/zinc/35/06/42/570350642.db2.gz MUGNOFQSZMKVLO-NRFANRHFSA-N 0 3 376.464 2.349 50 0 GEAAHN O=C(Nc1nnc(C2CCC2)s1)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000023399047 570360934 /nfs/dbraw/zinc/36/09/34/570360934.db2.gz XFLGAPFETNAXSI-HNNXBMFYSA-N 0 3 376.530 2.049 50 0 GEAAHN O[C@H]1CCN(Cc2cn(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)nn2)C1 ZINC000023620184 570366836 /nfs/dbraw/zinc/36/68/36/570366836.db2.gz FZIIRSMMRPIJJA-FQEVSTJZSA-N 0 3 380.496 2.163 50 0 GEAAHN Cc1cc(C)c(CN2CCn3nc([C@@H](C)O)cc3C2)cc1CN1CCN(C)CC1 ZINC000219832102 570376140 /nfs/dbraw/zinc/37/61/40/570376140.db2.gz ZURHFPZHCKVBBX-LJQANCHMSA-N 0 3 397.567 2.316 50 0 GEAAHN CCN1CCN(CCCNC(=O)c2nn(C)c3c2CCc2sccc2-3)CC1 ZINC000035504919 570378953 /nfs/dbraw/zinc/37/89/53/570378953.db2.gz HEPUGHBDMKXODF-UHFFFAOYSA-N 0 3 387.553 2.005 50 0 GEAAHN CC(=O)c1ccc(OC[C@@H](O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695258 570418316 /nfs/dbraw/zinc/41/83/16/570418316.db2.gz DOHJXNLIPUQWJL-KDOFPFPSSA-N 0 3 391.489 2.383 50 0 GEAAHN O=C(CNC(=O)c1ccc(F)cc1F)NCCCN1CCc2ccccc2C1 ZINC000029841524 570481523 /nfs/dbraw/zinc/48/15/23/570481523.db2.gz ZDUJKKADLZJBNQ-UHFFFAOYSA-N 0 3 387.430 2.259 50 0 GEAAHN COC(=O)c1ccc(CN(C)C(=O)C(Cc2ccccc2)S(C)(=O)=O)cc1 ZINC000072295283 570502655 /nfs/dbraw/zinc/50/26/55/570502655.db2.gz LOQWBGSEILGTCV-SFHVURJKSA-N 0 3 389.473 2.088 50 0 GEAAHN CN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)CC1 ZINC000031224302 570503410 /nfs/dbraw/zinc/50/34/10/570503410.db2.gz QYFLCRDFXFGCJZ-UHFFFAOYSA-N 0 3 399.944 2.339 50 0 GEAAHN O[C@@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096698 570535631 /nfs/dbraw/zinc/53/56/31/570535631.db2.gz DGRSAACJTDQTDC-HSZRJFAPSA-N 0 3 384.520 2.399 50 0 GEAAHN CCn1c2ccccc2nc1CN1CCN(C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039380787 570590163 /nfs/dbraw/zinc/59/01/63/570590163.db2.gz NYKGSNWNBZVKMQ-LJQANCHMSA-N 0 3 385.556 2.019 50 0 GEAAHN CCOC(=O)CCN1C(=O)CC[C@@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000012056497 570602507 /nfs/dbraw/zinc/60/25/07/570602507.db2.gz IOOZANHJVRZWAC-CQSZACIVSA-N 0 3 396.871 2.493 50 0 GEAAHN COCCNC(=O)[C@@H]1C[C@@H](Sc2ccc(F)cc2)CN1C1CCN(C)CC1 ZINC000012219220 570627009 /nfs/dbraw/zinc/62/70/09/570627009.db2.gz GDKVRPTXCSFEEF-MOPGFXCFSA-N 0 3 395.544 2.218 50 0 GEAAHN O=C(N[C@H]1CCN2CCCC[C@@H]12)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000229714053 570666435 /nfs/dbraw/zinc/66/64/35/570666435.db2.gz QJEJWRREMXEQKX-GJZGRUSLSA-N 0 3 397.566 2.279 50 0 GEAAHN CN(C)[C@@H]1CCN(CC(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)C1 ZINC000055358709 570692301 /nfs/dbraw/zinc/69/23/01/570692301.db2.gz UHPAPMOOKUBGFA-HXUWFJFHSA-N 0 3 380.492 2.442 50 0 GEAAHN O=C1CCCN1C[C@@H]1CCCN(CCN2CCN(Cc3ccccc3)CC2)C1 ZINC000244690833 570694812 /nfs/dbraw/zinc/69/48/12/570694812.db2.gz IXSQUOHVLARDTK-JOCHJYFZSA-N 0 3 384.568 2.139 50 0 GEAAHN O=c1cc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)nc2sccn21 ZINC000244708039 570695410 /nfs/dbraw/zinc/69/54/10/570695410.db2.gz KMKFIPIOLBDGPV-IBGZPJMESA-N 0 3 380.517 2.431 50 0 GEAAHN CCc1nc2c(c(=O)n1CC(=O)NC1CCCC1)CN(Cc1ccccc1)CC2 ZINC000065153517 570716781 /nfs/dbraw/zinc/71/67/81/570716781.db2.gz PDSBKBYLRGXUGK-UHFFFAOYSA-N 0 3 394.519 2.423 50 0 GEAAHN COCCN1C(=O)Cc2ccccc2[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000065170349 570719678 /nfs/dbraw/zinc/71/96/78/570719678.db2.gz CJSLNAOWHPJANO-QFIPXVFZSA-N 0 3 399.535 2.236 50 0 GEAAHN Cc1cccc2nc(C(=O)Nc3ccc4oc(=O)n(CCN(C)C)c4c3)cn21 ZINC000058223105 570721473 /nfs/dbraw/zinc/72/14/73/570721473.db2.gz NFMOJSFZXZOTHB-UHFFFAOYSA-N 0 3 379.420 2.365 50 0 GEAAHN COc1ccc([C@@H](CNC(=O)Nc2cccc(-n3nnnc3C)c2)N(C)C)cc1 ZINC000058896624 570736409 /nfs/dbraw/zinc/73/64/09/570736409.db2.gz IENXTMGDQVNWEW-LJQANCHMSA-N 0 3 395.467 2.404 50 0 GEAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(Cl)cc2)cc(N2CCCC2)n1 ZINC000065361791 570759592 /nfs/dbraw/zinc/75/95/92/570759592.db2.gz STMHHLALGXZSJF-UHFFFAOYSA-N 0 3 395.916 2.429 50 0 GEAAHN Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1 ZINC000065364899 570761097 /nfs/dbraw/zinc/76/10/97/570761097.db2.gz YUFBLLYVSHOZKF-UHFFFAOYSA-N 0 3 375.498 2.084 50 0 GEAAHN C[C@@H](c1nc(-c2ccncc2)no1)n1cnc2sc3c(c2c1=O)CCNC3 ZINC000065395279 570765394 /nfs/dbraw/zinc/76/53/94/570765394.db2.gz WYRUJKPHTSWIHC-JTQLQIEISA-N 0 3 380.433 2.158 50 0 GEAAHN Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)c(C)c1 ZINC000036708080 570793337 /nfs/dbraw/zinc/79/33/37/570793337.db2.gz YYNCHMCWPAVWAB-UHFFFAOYSA-N 0 3 389.525 2.392 50 0 GEAAHN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1 ZINC000032781261 570808639 /nfs/dbraw/zinc/80/86/39/570808639.db2.gz DJUVGLRLFIWBQY-IBGZPJMESA-N 0 3 389.521 2.406 50 0 GEAAHN CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCC2)c1 ZINC000033131400 570821945 /nfs/dbraw/zinc/82/19/45/570821945.db2.gz SVXITIFBUDUKGL-UHFFFAOYSA-N 0 3 387.933 2.196 50 0 GEAAHN Cc1nn(C)c(C)c1-c1noc2c(O)n(-c3ccc(F)c(Cl)c3)c(O)c12 ZINC000101467904 570823073 /nfs/dbraw/zinc/82/30/73/570823073.db2.gz UYTGGOSKGRRIGR-DZGCQCFKSA-N 0 3 376.775 2.122 50 0 GEAAHN CCOc1cc(CN2CCC(C(=O)N3CCN(CC)CC3)CC2)ccc1O ZINC000004551607 570871930 /nfs/dbraw/zinc/87/19/30/570871930.db2.gz IFCAXPSGEURBBY-UHFFFAOYSA-N 0 3 375.513 2.167 50 0 GEAAHN Cc1noc([C@H]2CN(C(=O)c3n[nH]c4ccccc43)CC23CCN(C)CC3)n1 ZINC000097112957 570895964 /nfs/dbraw/zinc/89/59/64/570895964.db2.gz JUPSLMNSKYWGEY-OAHLLOKOSA-N 0 3 380.452 2.206 50 0 GEAAHN COc1cc(CN2CC[C@]3(OC)CC[C@@H](NC(C)=O)C[C@H]23)cc2c1OCO2 ZINC000534589084 570905572 /nfs/dbraw/zinc/90/55/72/570905572.db2.gz SOXMWTQNCXVCDR-MOXGXCLJSA-N 0 3 376.453 2.072 50 0 GEAAHN COCCN1CCC(CNC(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000023127351 570912063 /nfs/dbraw/zinc/91/20/63/570912063.db2.gz MQBOGCYDYADVED-UHFFFAOYSA-N 0 3 387.402 2.119 50 0 GEAAHN O=C(N[C@@H]1CCN2CCCC[C@H]12)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000046997316 570937864 /nfs/dbraw/zinc/93/78/64/570937864.db2.gz QJEJWRREMXEQKX-HUUCEWRRSA-N 0 3 397.566 2.279 50 0 GEAAHN Cc1ccc(OCCNC(=O)N2CCN([C@@H]3CN4CCC3CC4)CC2)cc1C ZINC000426431948 231220649 /nfs/dbraw/zinc/22/06/49/231220649.db2.gz NZVHILRLTRWRRO-OAQYLSRUSA-N 0 3 386.540 2.104 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)CCNC(=O)c3ccco3)cc2C)CC1 ZINC000016299893 210189363 /nfs/dbraw/zinc/18/93/63/210189363.db2.gz KTSKNMPRDMEFFY-UHFFFAOYSA-N 0 3 384.480 2.489 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)c3ccc(Br)o3)CC2)n1 ZINC000015838305 210173332 /nfs/dbraw/zinc/17/33/32/210173332.db2.gz LTIYDKVOGJHJIZ-UHFFFAOYSA-N 0 3 394.273 2.169 50 0 GEAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(CCc2ccccc2)C1 ZINC000014974613 210138710 /nfs/dbraw/zinc/13/87/10/210138710.db2.gz UACPFRLJXVWSCD-SFHVURJKSA-N 0 3 379.460 2.418 50 0 GEAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H](N(CCO)Cc1ccccc1)C2 ZINC000014753879 210126595 /nfs/dbraw/zinc/12/65/95/210126595.db2.gz CFHZVLGTEUDVOG-LJQANCHMSA-N 0 3 396.535 2.491 50 0 GEAAHN C[C@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014732102 210124712 /nfs/dbraw/zinc/12/47/12/210124712.db2.gz HQDGTWDZAQTCQN-MRXNPFEDSA-N 0 3 381.476 2.449 50 0 GEAAHN COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccc(O)cc1)CC2 ZINC000014535096 210120232 /nfs/dbraw/zinc/12/02/32/210120232.db2.gz 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531934219 /nfs/dbraw/zinc/93/42/19/531934219.db2.gz INLGJHNNJCGWTC-ZDUSSCGKSA-N 0 3 376.881 2.089 50 0 GEAAHN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@@H]1C[C@@H](O)CN1 ZINC000238014650 532514312 /nfs/dbraw/zinc/51/43/12/532514312.db2.gz KDKFZAGYLMDJIE-YPMHNXCESA-N 0 3 382.283 2.158 50 0 GEAAHN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1C[C@H](O)CN1 ZINC000238098100 532516724 /nfs/dbraw/zinc/51/67/24/532516724.db2.gz KDKFZAGYLMDJIE-WCQYABFASA-N 0 3 382.283 2.158 50 0 GEAAHN Cc1c(Br)c(C(F)(F)F)nn1CC(=O)N1CCN2CCC[C@@H]2C1 ZINC000002775191 209384255 /nfs/dbraw/zinc/38/42/55/209384255.db2.gz YWHUAGBHVJOCRW-SNVBAGLBSA-N 0 3 395.223 2.279 50 0 GEAAHN CCNC(=O)c1cccc(NC(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000299777806 212035234 /nfs/dbraw/zinc/03/52/34/212035234.db2.gz FEGVMJDBOUVFJI-UHFFFAOYSA-N 0 3 376.526 2.481 50 0 GEAAHN COc1ccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1CN1CCCC1 ZINC000299765824 212033030 /nfs/dbraw/zinc/03/30/30/212033030.db2.gz BWMKIKRHQGPZNE-PZJWPPBQSA-N 0 3 383.496 2.228 50 0 GEAAHN CCN1CCN(CCNc2ncncc2-c2nc(-c3ccccc3)no2)CC1 ZINC000169775600 211647642 /nfs/dbraw/zinc/64/76/42/211647642.db2.gz SGWZBJALMVOYQU-UHFFFAOYSA-N 0 3 379.468 2.243 50 0 GEAAHN Cn1cnc2cc(C(=O)NCCN3CC[C@@H](c4ccccc4)C3)ccc2c1=O ZINC000097785639 211374156 /nfs/dbraw/zinc/37/41/56/211374156.db2.gz CEKJUKSFBRRMQA-GOSISDBHSA-N 0 3 376.460 2.153 50 0 GEAAHN CN1CCC(Cc2nc(-c3[nH]nc(N)c3Cl)n(CC(F)(F)F)n2)CC1 ZINC000096133346 211304756 /nfs/dbraw/zinc/30/47/56/211304756.db2.gz OMYZCKXWGGYZPF-UHFFFAOYSA-N 0 3 377.802 2.350 50 0 GEAAHN COc1cc(Br)c(CN2CCN(CCN(C)C)CC2)cc1OC ZINC000095958381 211287878 /nfs/dbraw/zinc/28/78/78/211287878.db2.gz PMKCDOVLVRGOGI-UHFFFAOYSA-N 0 3 386.334 2.146 50 0 GEAAHN O[C@@H](COc1cccc(CN2CCC(O)CC2)c1)CN1CCc2ccccc2C1 ZINC000095519291 211264267 /nfs/dbraw/zinc/26/42/67/211264267.db2.gz ZKBUGPRHWQNJGR-HSZRJFAPSA-N 0 3 396.531 2.441 50 0 GEAAHN COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095525436 211272632 /nfs/dbraw/zinc/27/26/32/211272632.db2.gz MNOOWFQFPJEFBA-KRWDZBQOSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095525436 211272636 /nfs/dbraw/zinc/27/26/36/211272636.db2.gz MNOOWFQFPJEFBA-KRWDZBQOSA-N 0 3 398.507 2.114 50 0 GEAAHN O=C(NC1CCCC1)c1ccc(OC2CCN(C(CO)CO)CC2)c(Cl)c1 ZINC000095527479 211272097 /nfs/dbraw/zinc/27/20/97/211272097.db2.gz WPSLMLCSQBBMED-UHFFFAOYSA-N 0 3 396.915 2.209 50 0 GEAAHN COc1cccc(CN2CCCC2(C)C)c1OC[C@@H](O)CN1CCOCC1 ZINC000095522908 211270694 /nfs/dbraw/zinc/27/06/94/211270694.db2.gz GGYDGDGHLSYWOC-SFHVURJKSA-N 0 3 378.513 2.142 50 0 GEAAHN Cc1n[nH]c(C)c1[C@@H](N)C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000095524907 211270480 /nfs/dbraw/zinc/27/04/80/211270480.db2.gz HAMCQAZCOHQKRK-OAQYLSRUSA-N 0 3 383.540 2.439 50 0 GEAAHN CN(C[C@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnc[n-]c1=O ZINC000095524253 211269142 /nfs/dbraw/zinc/26/91/42/211269142.db2.gz NALRWOWFUHFZRC-MRXNPFEDSA-N 0 3 388.899 2.450 50 0 GEAAHN CN(C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1)C(=O)c1cnc[n-]c1=O ZINC000095524253 211269144 /nfs/dbraw/zinc/26/91/44/211269144.db2.gz NALRWOWFUHFZRC-MRXNPFEDSA-N 0 3 388.899 2.450 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3nn(C)c4c3CCCC4)C[C@H]2N(C)C)cc1 ZINC000095516606 211264549 /nfs/dbraw/zinc/26/45/49/211264549.db2.gz KSAPINFKIMRYNI-AZUAARDMSA-N 0 3 382.508 2.477 50 0 GEAAHN CCN1CCN(C(=O)CCC2CCN(Cc3ccc(N(C)C)nc3)CC2)CC1 ZINC000095498052 211250866 /nfs/dbraw/zinc/25/08/66/211250866.db2.gz HUZIHYJIXZJFMT-UHFFFAOYSA-N 0 3 387.572 2.304 50 0 GEAAHN Cc1cccc2nc(C(=O)N3CCC[C@H](c4nccn4CCN(C)C)C3)cn21 ZINC000095497322 211250491 /nfs/dbraw/zinc/25/04/91/211250491.db2.gz PCNSSABKXQDEIJ-KRWDZBQOSA-N 0 3 380.496 2.421 50 0 GEAAHN Cc1ncc(C(=O)N(C)C[C@H]2CCC[N@H+](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511968 211261571 /nfs/dbraw/zinc/26/15/71/211261571.db2.gz SSQZSQGYIRAFLO-MRXNPFEDSA-N 0 3 386.471 2.244 50 0 GEAAHN Cc1ncc(C(=O)N(C)C[C@H]2CCC[N@@H+](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000095511968 211261576 /nfs/dbraw/zinc/26/15/76/211261576.db2.gz SSQZSQGYIRAFLO-MRXNPFEDSA-N 0 3 386.471 2.244 50 0 GEAAHN CCCCS(=O)(=O)N1CCC(C(=O)N(C)[C@@H](C)C2CCN(C)CC2)CC1 ZINC000095450518 211240106 /nfs/dbraw/zinc/24/01/06/211240106.db2.gz LCXUPIDQTBQNQB-INIZCTEOSA-N 0 3 387.590 2.017 50 0 GEAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)CCN3CCCC3=O)C2)cc1 ZINC000095389371 211237640 /nfs/dbraw/zinc/23/76/40/211237640.db2.gz NSLVSBSVHTVQSP-RBUKOAKNSA-N 0 3 385.508 2.131 50 0 GEAAHN C[C@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095462632 211244674 /nfs/dbraw/zinc/24/46/74/211244674.db2.gz CSBCNKPGEFHRLW-HXPMCKFVSA-N 0 3 391.468 2.325 50 0 GEAAHN CC(C)(C)c1cc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)n[nH]1 ZINC000095383049 211235640 /nfs/dbraw/zinc/23/56/40/211235640.db2.gz PEWUHRBEVTUGKW-IIBYNOLFSA-N 0 3 389.544 2.182 50 0 GEAAHN CCCCc1ncc(CN2CC[C@@]3(O)CCN(C(=O)N4CCCC4)C[C@H]3C2)[nH]1 ZINC000095380102 211233208 /nfs/dbraw/zinc/23/32/08/211233208.db2.gz OYBFPIILXOPTSH-DYESRHJHSA-N 0 3 389.544 2.227 50 0 GEAAHN Cc1ccc(F)c(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1F ZINC000095371098 211227997 /nfs/dbraw/zinc/22/79/97/211227997.db2.gz WYEQBEIVOUGEIQ-AEFFLSMTSA-N 0 3 395.494 2.124 50 0 GEAAHN CN(C)C(=O)N1C[C@@H]2CC[C@H](C1)N(CCC(=O)NCc1ccc(Cl)cc1)C2 ZINC000095363781 211225390 /nfs/dbraw/zinc/22/53/90/211225390.db2.gz FRAIGRZXRVEBAS-SJLPKXTDSA-N 0 3 392.931 2.424 50 0 GEAAHN Cn1cc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c2ccccc21 ZINC000091908533 211211022 /nfs/dbraw/zinc/21/10/22/211211022.db2.gz FKLAVJLLYJVYRQ-NQIIRXRSSA-N 0 3 398.551 2.029 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C[C@H]2CCCO)CC1 ZINC000091933445 211210422 /nfs/dbraw/zinc/21/04/22/211210422.db2.gz FFMYSYRCGYEPME-CTNGQTDRSA-N 0 3 384.524 2.019 50 0 GEAAHN Cc1nc2cc(CC(=O)N3CCC4(CC3)c3[nH]cnc3CCN4C)ccc2[nH]1 ZINC000092037008 211215182 /nfs/dbraw/zinc/21/51/82/211215182.db2.gz BARFMDFUSCVLGM-UHFFFAOYSA-N 0 3 378.480 2.143 50 0 GEAAHN Cc1nc2ccc(CC(=O)N3CCC4(CC3)c3[nH]cnc3CCN4C)cc2[nH]1 ZINC000092037008 211215187 /nfs/dbraw/zinc/21/51/87/211215187.db2.gz BARFMDFUSCVLGM-UHFFFAOYSA-N 0 3 378.480 2.143 50 0 GEAAHN Cc1ccc(C)c(CC(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)c1 ZINC000092037643 211214416 /nfs/dbraw/zinc/21/44/16/211214416.db2.gz QALOFBUUHSOWDM-IRLDBZIGSA-N 0 3 387.568 2.083 50 0 GEAAHN O=C(c1ccc([C@H]2CCCO2)s1)N1CCC(N2CCNC(=O)CC2)CC1 ZINC000091706372 211203598 /nfs/dbraw/zinc/20/35/98/211203598.db2.gz SUOIERVTWSDKST-OAHLLOKOSA-N 0 3 377.510 2.026 50 0 GEAAHN CN(C)CCn1ccnc1C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000091650616 211201788 /nfs/dbraw/zinc/20/17/88/211201788.db2.gz NDGNGHDXIXHZGU-UHFFFAOYSA-N 0 3 376.526 2.154 50 0 GEAAHN COc1ccc(F)c(F)c1CN1CC[C@H](N2CCOCC2)[C@H](CCCO)C1 ZINC000091519252 211193630 /nfs/dbraw/zinc/19/36/30/211193630.db2.gz AZUDWFQMTBXYAA-QAPCUYQASA-N 0 3 384.467 2.269 50 0 GEAAHN COc1ccc(CN(C(=O)C(C)S(=O)(=O)C2CCOCC2)C2CC2)cc1 ZINC000089369006 211179891 /nfs/dbraw/zinc/17/98/91/211179891.db2.gz ZADHJUUYIVBTIX-CQSZACIVSA-N 0 3 381.494 2.169 50 0 GEAAHN COC(=O)c1ccsc1N1CC[C@@H](N2CCN(C3CCCC3)CC2)C1=O ZINC000078953633 211151778 /nfs/dbraw/zinc/15/17/78/211151778.db2.gz ZMIYFRVWLAGHDR-MRXNPFEDSA-N 0 3 377.510 2.200 50 0 GEAAHN COc1cccc(NC2CCN(C[C@@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC000079014803 211151006 /nfs/dbraw/zinc/15/10/06/211151006.db2.gz NGDRMNKQFIKARB-INIZCTEOSA-N 0 3 381.542 2.243 50 0 GEAAHN C[C@@H]1CN(C2CCN(C(=O)CCc3nc(-c4ccco4)no3)CC2)C[C@H](C)O1 ZINC000072478987 211124016 /nfs/dbraw/zinc/12/40/16/211124016.db2.gz GIYGLPJBZFWYKG-GASCZTMLSA-N 0 3 388.468 2.362 50 0 GEAAHN O=C(c1nc[n-]n1)N1CCn2nc(C[N@@H+]3CCC[C@@H](c4ccccc4)C3)cc2C1 ZINC000072429446 211117178 /nfs/dbraw/zinc/11/71/78/211117178.db2.gz MEAHRKKBNSXJNA-QGZVFWFLSA-N 0 3 391.479 2.037 50 0 GEAAHN O=C(c1nc[n-]n1)N1CCn2nc(C[N@H+]3CCC[C@@H](c4ccccc4)C3)cc2C1 ZINC000072429446 211117180 /nfs/dbraw/zinc/11/71/80/211117180.db2.gz MEAHRKKBNSXJNA-QGZVFWFLSA-N 0 3 391.479 2.037 50 0 GEAAHN COCCN(C)CCN1CC2(CCN(Cc3cccc(C)c3)CC2)OC1=O ZINC000072423486 211116496 /nfs/dbraw/zinc/11/64/96/211116496.db2.gz PZUXCTZDANSUEF-UHFFFAOYSA-N 0 3 375.513 2.360 50 0 GEAAHN CC[NH+]1CCC(N[C@@H]2CC[C@@H]2[N-]S(=O)(=O)c2cc3ccccc3o2)CC1 ZINC000072411384 211114497 /nfs/dbraw/zinc/11/44/97/211114497.db2.gz LQDGYWHWKLSILF-SJORKVTESA-N 0 3 377.510 2.316 50 0 GEAAHN Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000072171682 211081898 /nfs/dbraw/zinc/08/18/98/211081898.db2.gz QCDWABCRSBQUBB-LJQANCHMSA-N 0 3 382.508 2.143 50 0 GEAAHN Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)c(=O)[n-]1 ZINC000072171682 211081899 /nfs/dbraw/zinc/08/18/99/211081899.db2.gz QCDWABCRSBQUBB-LJQANCHMSA-N 0 3 382.508 2.143 50 0 GEAAHN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(C)[nH]c2=O)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072168879 211080708 /nfs/dbraw/zinc/08/07/08/211080708.db2.gz QRFPWBBPJLEZAE-CEWLAPEOSA-N 0 3 393.487 2.394 50 0 GEAAHN O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@@H](N2CCC(CO)CC2)C1 ZINC000072162656 211080386 /nfs/dbraw/zinc/08/03/86/211080386.db2.gz VKCKGXJSVQCKAC-MRXNPFEDSA-N 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CCN1CCC[C@@H]1CN1CC2=C(C1=O)[C@H](c1ccc(SC)cc1)NC(=O)N2 ZINC000057531454 210902499 /nfs/dbraw/zinc/90/24/99/210902499.db2.gz RINLSZMCNROFFG-KDOFPFPSSA-N 0 3 386.521 2.343 50 0 GEAAHN CNC(=O)c1ccc(NC(=O)NC[C@H](CN(C)C)[C@H](O)c2ccccc2)c(C)c1 ZINC000040121096 210775502 /nfs/dbraw/zinc/77/55/02/210775502.db2.gz NSNRULPZXNTKMQ-UYAOXDASSA-N 0 3 398.507 2.388 50 0 GEAAHN COc1ccc(Cl)cc1C(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 ZINC000021793599 210392546 /nfs/dbraw/zinc/39/25/46/210392546.db2.gz MYVNVBJPNZOIFO-UHFFFAOYSA-N 0 3 389.887 2.475 50 0 GEAAHN Cc1onc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1CN1CCOCC1 ZINC000021540325 210385307 /nfs/dbraw/zinc/38/53/07/210385307.db2.gz HVFMJDAHZSLPQG-UHFFFAOYSA-N 0 3 398.507 2.210 50 0 GEAAHN C[C@H]1CCCCN1CCNC(=O)CCn1c(=O)c2cccn2c2cccnc21 ZINC000020512749 210342818 /nfs/dbraw/zinc/34/28/18/210342818.db2.gz ITMDRAXJEHWBRI-INIZCTEOSA-N 0 3 381.480 2.030 50 0 GEAAHN CCOC(=O)N1CCN([C@H]2CCCN(Cc3ccc(C(=O)OC)cc3)C2)CC1 ZINC000019839742 210302766 /nfs/dbraw/zinc/30/27/66/210302766.db2.gz XPNLRPBAOSONIO-IBGZPJMESA-N 0 3 389.496 2.212 50 0 GEAAHN CCN1CCN(CCCNC(=O)[C@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 ZINC000019900221 210306622 /nfs/dbraw/zinc/30/66/22/210306622.db2.gz LQRTXOPCPHGPJS-SOAGJPPSSA-N 0 3 394.604 2.097 50 0 GEAAHN O=C1N(CCc2ccccc2)CCC[C@]1(O)CN1CCN(c2ccccc2)CC1 ZINC000019607759 210274848 /nfs/dbraw/zinc/27/48/48/210274848.db2.gz RUUCLBORMOLFJW-DEOSSOPVSA-N 0 3 393.531 2.405 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCC(=O)N(C)C)C1 ZINC000011933866 221137380 /nfs/dbraw/zinc/13/73/80/221137380.db2.gz BPAYIYJPRGTHIG-SFHVURJKSA-N 0 3 389.540 2.277 50 0 GEAAHN O=C(NCCO)c1cn([C@H]2CCCN(Cc3cc4ccccc4s3)C2)nn1 ZINC000012124584 221156534 /nfs/dbraw/zinc/15/65/34/221156534.db2.gz HESYYKDTFYAKKN-HNNXBMFYSA-N 0 3 385.493 2.052 50 0 GEAAHN CC(C)(CN1CCCCC1)NC(=O)N1CCN(Cc2ccccc2F)C(=O)C1 ZINC000426551963 527082864 /nfs/dbraw/zinc/08/28/64/527082864.db2.gz KDBBXVAVJLICSN-UHFFFAOYSA-N 0 3 390.503 2.444 50 0 GEAAHN CCOCCN1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000426698191 528740103 /nfs/dbraw/zinc/74/01/03/528740103.db2.gz HICYXSKTTGPUSC-OAQYLSRUSA-N 0 3 388.556 2.262 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)nc(C)n1 ZINC000065363326 535522372 /nfs/dbraw/zinc/52/23/72/535522372.db2.gz XNTOLHCNKBETHG-UHFFFAOYSA-N 0 3 389.525 2.290 50 0 GEAAHN CN(C)c1ccc(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000048091287 570218022 /nfs/dbraw/zinc/21/80/22/570218022.db2.gz OMEVWDFHNKBRPE-UHFFFAOYSA-N 0 3 396.539 2.477 50 0 GEAAHN Cn1c(C[C@@H](NC[C@@H](O)CN2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000012809764 570221801 /nfs/dbraw/zinc/22/18/01/570221801.db2.gz SKOWXVTURZPSQT-TZIWHRDSSA-N 0 3 394.519 2.140 50 0 GEAAHN OCCOc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)cc1 ZINC000104373061 570257921 /nfs/dbraw/zinc/25/79/21/570257921.db2.gz BIOFORLIZWSYQL-JOCHJYFZSA-N 0 3 384.520 2.169 50 0 GEAAHN COc1ccc(CN2CCN(CCCn3cccn3)C[C@H]2CCO)c(C)c1C ZINC000104527025 570260104 /nfs/dbraw/zinc/26/01/04/570260104.db2.gz 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ZINC000032755344 570394157 /nfs/dbraw/zinc/39/41/57/570394157.db2.gz RSUPSVVIUFFHBE-YLJYHZDGSA-N 0 3 381.476 2.467 50 0 GEAAHN CN(C)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000004784986 570405668 /nfs/dbraw/zinc/40/56/68/570405668.db2.gz GCAHRTQBCDIBAR-UHFFFAOYSA-N 0 3 376.526 2.227 50 0 GEAAHN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000240894797 570431193 /nfs/dbraw/zinc/43/11/93/570431193.db2.gz IPYHDHMZUQHRTK-ZENOOKHLSA-N 0 3 395.912 2.122 50 0 GEAAHN CC1(C)c2cc(S(=O)(=O)N3CC[C@@H](CN4CCCCC4)C3)ccc2NC1=O ZINC000121910741 570446111 /nfs/dbraw/zinc/44/61/11/570446111.db2.gz XCAJXTVJVHJEHQ-HNNXBMFYSA-N 0 3 391.537 2.413 50 0 GEAAHN Cc1ccc(C)c(-c2cc(C(=O)N[C@@H](C(=O)NCCN(C)C)C(C)C)no2)c1 ZINC000036016252 570511489 /nfs/dbraw/zinc/51/14/89/570511489.db2.gz KCGVWFFTQZUNGU-LJQANCHMSA-N 0 3 386.496 2.391 50 0 GEAAHN O=C(CCn1cnc2ccccc2c1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000040043254 570543597 /nfs/dbraw/zinc/54/35/97/570543597.db2.gz PAZLQNOVUYUXPW-GOSISDBHSA-N 0 3 376.460 2.177 50 0 GEAAHN O=S(=O)(c1ccccc1)N1CCN(C[C@H]2NCCc3c(F)cccc32)CC1 ZINC000035287351 570551180 /nfs/dbraw/zinc/55/11/80/570551180.db2.gz VATNXOZIFSHXHL-HXUWFJFHSA-N 0 3 389.496 2.019 50 0 GEAAHN O=C([C@@H]1CCC(=O)N(C2CC2)C1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000011814664 570583883 /nfs/dbraw/zinc/58/38/83/570583883.db2.gz LKOOESAKEPKUEA-LJQANCHMSA-N 0 3 381.520 2.437 50 0 GEAAHN CCN(CC)C(=O)C[C@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O ZINC000011814690 570583930 /nfs/dbraw/zinc/58/39/30/570583930.db2.gz OMSMOXIJVRYASJ-HXUWFJFHSA-N 0 3 393.915 2.157 50 0 GEAAHN COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCN(C3CCN(C)CC3)C2)cc1 ZINC000011843002 570587833 /nfs/dbraw/zinc/58/78/33/570587833.db2.gz RFKBLAHZQFLVCT-GOSISDBHSA-N 0 3 387.524 2.333 50 0 GEAAHN CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000011945308 570595103 /nfs/dbraw/zinc/59/51/03/570595103.db2.gz FKRXWFWDAYODOW-HXUWFJFHSA-N 0 3 386.540 2.203 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCC(Cn2cnnn2)CC1 ZINC000040287420 570597610 /nfs/dbraw/zinc/59/76/10/570597610.db2.gz CFOZSUCGWGPVGW-UHFFFAOYSA-N 0 3 382.512 2.260 50 0 GEAAHN Cc1ccc(NC(=O)COc2cccc(CNCCN3CCOCC3)c2)cc1 ZINC000040720813 570605998 /nfs/dbraw/zinc/60/59/98/570605998.db2.gz ULUVLULTLKBSNS-UHFFFAOYSA-N 0 3 383.492 2.434 50 0 GEAAHN CC(C)/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000012098425 570608092 /nfs/dbraw/zinc/60/80/92/570608092.db2.gz DKAIPGSUNOHTEA-UCHJRYNZSA-N 0 3 389.544 2.198 50 0 GEAAHN CC[C@@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1 ZINC000012099481 570608760 /nfs/dbraw/zinc/60/87/60/570608760.db2.gz SHCLQVPBMOCMBY-MRXNPFEDSA-N 0 3 385.512 2.163 50 0 GEAAHN COC[C@H](C)NC(=O)c1c(=O)cc(C)n(CCN(C)C)c1CCc1ccccc1 ZINC000012194421 570622652 /nfs/dbraw/zinc/62/26/52/570622652.db2.gz ONEMNEAFFSNRLO-KRWDZBQOSA-N 0 3 399.535 2.268 50 0 GEAAHN CCC(CC)CN1CCc2nnc([C@H](C)NC(=O)C3CCOCC3)n2CC1 ZINC000012245370 570631118 /nfs/dbraw/zinc/63/11/18/570631118.db2.gz WUKGHTMBSPYVLF-HNNXBMFYSA-N 0 3 377.533 2.176 50 0 GEAAHN CO[C@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048115571 570655162 /nfs/dbraw/zinc/65/51/62/570655162.db2.gz VUHGLSBMGTWENV-FQEVSTJZSA-N 0 3 393.491 2.487 50 0 GEAAHN CO[C@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048115571 570655168 /nfs/dbraw/zinc/65/51/68/570655168.db2.gz VUHGLSBMGTWENV-FQEVSTJZSA-N 0 3 393.491 2.487 50 0 GEAAHN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@@H]1CCN2CCCC[C@@H]12 ZINC000229685906 570666179 /nfs/dbraw/zinc/66/61/79/570666179.db2.gz OCWDLWLLGYKUBS-SJORKVTESA-N 0 3 377.510 2.027 50 0 GEAAHN CCn1ccnc1CNCc1ccc(OC[C@@H](O)CN2CCCC2)c(OC)c1 ZINC000012447026 570689842 /nfs/dbraw/zinc/68/98/42/570689842.db2.gz YFMMKARFGYIFKJ-SFHVURJKSA-N 0 3 388.512 2.037 50 0 GEAAHN CC[C@@H](C)c1ccc(NC(=O)CN2CCC3(CC2)C(=O)NCCCN3C)cc1 ZINC000244811590 570696826 /nfs/dbraw/zinc/69/68/26/570696826.db2.gz SHJLXFNNDJXQAR-QGZVFWFLSA-N 0 3 386.540 2.425 50 0 GEAAHN Cn1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc2c1ccn(C)c2=O ZINC000065118827 570706090 /nfs/dbraw/zinc/70/60/90/570706090.db2.gz AZBSEMUZKUOSGD-UHFFFAOYSA-N 0 3 378.476 2.271 50 0 GEAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1 ZINC000059748052 570725188 /nfs/dbraw/zinc/72/51/88/570725188.db2.gz ZSZSHNHUXNUXEW-UHFFFAOYSA-N 0 3 379.526 2.091 50 0 GEAAHN CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000058316117 570726815 /nfs/dbraw/zinc/72/68/15/570726815.db2.gz KFPDHYZPZSYHHW-PMACEKPBSA-N 0 3 378.513 2.463 50 0 GEAAHN O=C(Cn1nc2c(cc1=O)CCCCC2)NC1CCN(Cc2ccccc2)CC1 ZINC000061721566 570743678 /nfs/dbraw/zinc/74/36/78/570743678.db2.gz VUAMGEIHZWFNSL-UHFFFAOYSA-N 0 3 394.519 2.293 50 0 GEAAHN CCCN1CCN(CCNC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)CC1 ZINC000065245495 570746752 /nfs/dbraw/zinc/74/67/52/570746752.db2.gz FQFVDFSUPWYCIY-UHFFFAOYSA-N 0 3 384.524 2.325 50 0 GEAAHN Cc1nc(NCCNS(=O)(=O)c2ccc(F)c(F)c2)cc(N2CCCC2)n1 ZINC000065363611 570760632 /nfs/dbraw/zinc/76/06/32/570760632.db2.gz GQCJGSBCRBPBSC-UHFFFAOYSA-N 0 3 397.451 2.054 50 0 GEAAHN Cc1nc(NCCNC(=O)Nc2ccc3c(c2)OCCO3)cc(N2CCCC2)n1 ZINC000036708094 570793388 /nfs/dbraw/zinc/79/33/88/570793388.db2.gz MSONXHHDGNQQAD-UHFFFAOYSA-N 0 3 398.467 2.390 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2cc(-n3cccn3)ccn2)[C@@H](CC)CN1CC(C)(C)O ZINC000170088573 570804810 /nfs/dbraw/zinc/80/48/10/570804810.db2.gz URWZOOQLGZLEKP-SJORKVTESA-N 0 3 385.512 2.353 50 0 GEAAHN O=S(=O)(CCN1CCCN2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000065568548 570836597 /nfs/dbraw/zinc/83/65/97/570836597.db2.gz RFOJMHHZQPSJJB-OAHLLOKOSA-N 0 3 387.343 2.393 50 0 GEAAHN CCN1CCN([C@@H]2CCN(CC(=O)Nc3ccccc3N3CCCCC3)C2)CC1 ZINC000170607419 570864160 /nfs/dbraw/zinc/86/41/60/570864160.db2.gz WHNNZQAAFVGQQR-HXUWFJFHSA-N 0 3 399.583 2.327 50 0 GEAAHN NC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000076069754 570919711 /nfs/dbraw/zinc/91/97/11/570919711.db2.gz FBKAHYAKHWFSRO-DLBZAZTESA-N 0 3 376.526 2.053 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000106398617 570962154 /nfs/dbraw/zinc/96/21/54/570962154.db2.gz KQICRLZLPFESGQ-GJZGRUSLSA-N 0 3 381.480 2.050 50 0 GEAAHN COCCN(C)c1ccc(CN[C@H](C)CN2CCN(c3ccccc3)CC2)cn1 ZINC000252490816 570973416 /nfs/dbraw/zinc/97/34/16/570973416.db2.gz LBXFWYYXLCWUIQ-HXUWFJFHSA-N 0 3 397.567 2.465 50 0 GEAAHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713767 570975318 /nfs/dbraw/zinc/97/53/18/570975318.db2.gz XPVZCOWQZLNYDV-QGZVFWFLSA-N 0 3 398.429 2.407 50 0 GEAAHN CC[C@H](C)[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000084721616 571033407 /nfs/dbraw/zinc/03/34/07/571033407.db2.gz VKCQPJVBMYPIDZ-PZJWPPBQSA-N 0 3 375.557 2.323 50 0 GEAAHN O=C(NCCc1cccc(Cl)c1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000426358696 231207154 /nfs/dbraw/zinc/20/71/54/231207154.db2.gz ZCLQZXMCTBUFFM-LJQANCHMSA-N 0 3 376.932 2.304 50 0 GEAAHN Cc1c(F)cccc1CN1CCC[C@H](c2nnc(CN3CCOCC3)n2C)C1 ZINC000426613518 231246534 /nfs/dbraw/zinc/24/65/34/231246534.db2.gz BIYZTJMPMUZCTR-SFHVURJKSA-N 0 3 387.503 2.474 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)c3nc4nc(C)cc(C)n4n3)cc2C)CC1 ZINC000016300245 210189812 /nfs/dbraw/zinc/18/98/12/210189812.db2.gz UKSPFYGSLPVGRQ-UHFFFAOYSA-N 0 3 393.495 2.444 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000015679183 210162372 /nfs/dbraw/zinc/16/23/72/210162372.db2.gz VQCABHGOFVHDFL-MRXNPFEDSA-N 0 3 387.436 2.187 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)c2ccc[n+]([O-])c2)C1 ZINC000014969100 210135406 /nfs/dbraw/zinc/13/54/06/210135406.db2.gz MYAYOMUPUZYNKP-GOSISDBHSA-N 0 3 383.492 2.355 50 0 GEAAHN COCCN1C(=O)N(CC(C)C)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014750533 210127177 /nfs/dbraw/zinc/12/71/77/210127177.db2.gz SMHOUAGKPKGSIY-UHFFFAOYSA-N 0 3 389.496 2.293 50 0 GEAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](N1CCC(CO)CC1)C2 ZINC000014532787 210120174 /nfs/dbraw/zinc/12/01/74/210120174.db2.gz YOHMFSWMUDJPGN-GOSISDBHSA-N 0 3 388.556 2.481 50 0 GEAAHN CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H](N1CCC(CO)CC1)C2 ZINC000014532786 210118853 /nfs/dbraw/zinc/11/88/53/210118853.db2.gz YOHMFSWMUDJPGN-SFHVURJKSA-N 0 3 388.556 2.481 50 0 GEAAHN COc1cc(NC(=O)Cc2c(O)nc3[nH]c4ccccc4n32)cc(OC)c1OC ZINC000013723673 210084814 /nfs/dbraw/zinc/08/48/14/210084814.db2.gz JBWQLHRWXLASSS-CQSZACIVSA-N 0 3 396.403 2.238 50 0 GEAAHN COc1cc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc(OC)c1OC ZINC000013723673 210084817 /nfs/dbraw/zinc/08/48/17/210084817.db2.gz JBWQLHRWXLASSS-CQSZACIVSA-N 0 3 396.403 2.238 50 0 GEAAHN CN1CCC(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 ZINC000013012429 210048052 /nfs/dbraw/zinc/04/80/52/210048052.db2.gz XXJGUOGCSFVSMM-UHFFFAOYSA-N 0 3 377.444 2.307 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@H](Cc1ccccc1)n1cnnn1 ZINC000013010179 210046396 /nfs/dbraw/zinc/04/63/96/210046396.db2.gz KIRZYSMLDULWQK-NRFANRHFSA-N 0 3 390.491 2.238 50 0 GEAAHN CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CNC)c1 ZINC000006047805 209627825 /nfs/dbraw/zinc/62/78/25/209627825.db2.gz MCRUTHSSHNFZLJ-UHFFFAOYSA-N 0 3 377.466 2.068 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)CSc2nnc(N)s2)C1 ZINC000244884398 532520052 /nfs/dbraw/zinc/52/00/52/532520052.db2.gz YLPXRMDPNMJMEJ-ZDUSSCGKSA-N 0 3 377.539 2.127 50 0 GEAAHN CCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCN1CCCCC1 ZINC000010216778 209322133 /nfs/dbraw/zinc/32/21/33/209322133.db2.gz SFSOAIWCEUCXHZ-UHFFFAOYSA-N 0 3 376.526 2.163 50 0 GEAAHN CCn1ccc2c1cccc2CN1CC[C@@H](NC(=O)c2cc(C)on2)[C@H](O)C1 ZINC000299790542 212038207 /nfs/dbraw/zinc/03/82/07/212038207.db2.gz BRQULPRDZRIVPT-YLJYHZDGSA-N 0 3 382.464 2.323 50 0 GEAAHN Cc1c2ccccc2[nH]c1CN1CCC(c2nnc(CN(C)CCO)n2C)CC1 ZINC000096131331 211304560 /nfs/dbraw/zinc/30/45/60/211304560.db2.gz FNVREVYDBODECI-UHFFFAOYSA-N 0 3 396.539 2.409 50 0 GEAAHN CNS(=O)(=O)c1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000095995520 211292912 /nfs/dbraw/zinc/29/29/12/211292912.db2.gz LYEUVLODHPQWPC-PBHICJAKSA-N 0 3 397.541 2.330 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)Cc1ccc3c(c1)OCO3)CC2 ZINC000096139683 211306661 /nfs/dbraw/zinc/30/66/61/211306661.db2.gz XETFHTJOUUYXBI-UHFFFAOYSA-N 0 3 396.491 2.467 50 0 GEAAHN Cc1nc(C)c(C(=O)N[C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)s1 ZINC000096136850 211306454 /nfs/dbraw/zinc/30/64/54/211306454.db2.gz XUEJVFUPKGXCJM-IPFXWSOASA-N 0 3 382.533 2.057 50 0 GEAAHN Cn1nnnc1SCCNC(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000096140081 211305779 /nfs/dbraw/zinc/30/57/79/211305779.db2.gz BVXUPIBTOIZKBZ-UHFFFAOYSA-N 0 3 375.502 2.110 50 0 GEAAHN Cc1n[nH]c(CCC(=O)N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095511509 211262980 /nfs/dbraw/zinc/26/29/80/211262980.db2.gz LOXAELZRKWSZBT-KRWDZBQOSA-N 0 3 379.468 2.092 50 0 GEAAHN Cc1onc(C(=O)N2C[C@@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)c1CO ZINC000095512908 211261880 /nfs/dbraw/zinc/26/18/80/211261880.db2.gz FIABTJMSJZPRJW-IOMROCGXSA-N 0 3 381.476 2.486 50 0 GEAAHN COC(=O)C1CCN(CCCNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000095397807 211238394 /nfs/dbraw/zinc/23/83/94/211238394.db2.gz ADTVJZBPNSPVPU-CABCVRRESA-N 0 3 380.435 2.460 50 0 GEAAHN COc1ccc2c(c1)OC[C@]1(CO)CN(CCC(=O)NC3CCCCC3)C[C@H]21 ZINC000095498278 211250230 /nfs/dbraw/zinc/25/02/30/211250230.db2.gz PVKLLOMWNFGCNQ-DENIHFKCSA-N 0 3 388.508 2.305 50 0 GEAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)CC1 ZINC000095463653 211243976 /nfs/dbraw/zinc/24/39/76/211243976.db2.gz QVDLPHCFENKXKU-UHFFFAOYSA-N 0 3 394.537 2.386 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cc(F)ccc3Cl)C[C@H]2CCCO)CC1 ZINC000095388122 211235265 /nfs/dbraw/zinc/23/52/65/211235265.db2.gz HHRKYYMHTVGGDX-BEFAXECRSA-N 0 3 397.922 2.330 50 0 GEAAHN N[C@H]1CN(S(=O)(=O)c2c(Cl)nc3sccn32)C[C@@H]1c1ccccc1 ZINC000095387256 211234568 /nfs/dbraw/zinc/23/45/68/211234568.db2.gz NGEWTIQEIOPONC-NEPJUHHUSA-N 0 3 382.898 2.165 50 0 GEAAHN COc1cccc2c1OC[C@@H](C(=O)N1CCC(N3CCSCC3)CC1)C2 ZINC000095385178 211233968 /nfs/dbraw/zinc/23/39/68/211233968.db2.gz MGWAXIGDKSHKOX-INIZCTEOSA-N 0 3 376.522 2.286 50 0 GEAAHN CCn1nc(C)c(CN2CCC[C@@H](c3nnc(Cn4ccnc4)n3C)C2)c1C ZINC000095379585 211232343 /nfs/dbraw/zinc/23/23/43/211232343.db2.gz BJDBYANUCIIGAG-QGZVFWFLSA-N 0 3 382.516 2.273 50 0 GEAAHN N[C@H](C(=O)N1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1)C1CC1 ZINC000095377384 211230457 /nfs/dbraw/zinc/23/04/57/211230457.db2.gz FDKUASVBBHSKKJ-SFHVURJKSA-N 0 3 377.435 2.043 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3cn(C)nc3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095373241 211229834 /nfs/dbraw/zinc/22/98/34/211229834.db2.gz LMPAEBODLAEECJ-PWRODBHTSA-N 0 3 380.492 2.440 50 0 GEAAHN COc1cccc(OCCN2CC[C@@]3(O)CCN(C(=O)C4CCC4)C[C@H]3C2)c1 ZINC000095373264 211228947 /nfs/dbraw/zinc/22/89/47/211228947.db2.gz FYBUHLLGIKZBID-XMSQKQJNSA-N 0 3 388.508 2.159 50 0 GEAAHN CC(C)[C@@H]1CN(Cc2ccnc3ccccc23)C[C@H]1NS(=O)(=O)N(C)C ZINC000095366622 211226465 /nfs/dbraw/zinc/22/64/65/211226465.db2.gz YRMIRPZIONINIL-PKOBYXMFSA-N 0 3 376.526 2.087 50 0 GEAAHN O=C(CCN1C[C@H]2CC[C@@H]1CN(C1CCOCC1)C2)NCc1ccc(F)cc1 ZINC000095362965 211225348 /nfs/dbraw/zinc/22/53/48/211225348.db2.gz PVFIFFGZVLSHKK-WIYYLYMNSA-N 0 3 389.515 2.407 50 0 GEAAHN O=S(=O)(N1CCCC1)N1C[C@H]2CC[C@@H]1CN(CCCc1ccccc1)C2 ZINC000091966330 211211754 /nfs/dbraw/zinc/21/17/54/211211754.db2.gz RHFDPGFQSSMNHN-VQTJNVASSA-N 0 3 377.554 2.356 50 0 GEAAHN COc1ccccc1-n1cc(-c2cn([C@H]3COC[C@@H]3N3CCCC3)nn2)cn1 ZINC000091871387 211211149 /nfs/dbraw/zinc/21/11/49/211211149.db2.gz URCXIPZTYCPOFK-OALUTQOASA-N 0 3 380.452 2.175 50 0 GEAAHN Cn1ccc2ccc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCC(=O)[O-])C3)cc21 ZINC000095355718 211221340 /nfs/dbraw/zinc/22/13/40/211221340.db2.gz GPNIAGZEYRKLRQ-RTWAWAEBSA-N 0 3 398.551 2.481 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)c2c(C)nccc2-c2ccccc2)C[C@@H]1CO ZINC000092107425 211217304 /nfs/dbraw/zinc/21/73/04/211217304.db2.gz UWEWKTUZNVYRJR-WOJBJXKFSA-N 0 3 397.519 2.316 50 0 GEAAHN COc1cccc(CC(=O)N2CCC[C@@]3(CCC(=O)N(CCN(C)C)C3)C2)c1 ZINC000092076989 211215350 /nfs/dbraw/zinc/21/53/50/211215350.db2.gz AZOSWFJCEVYYDZ-JOCHJYFZSA-N 0 3 387.524 2.031 50 0 GEAAHN CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@@H]1CC[N@H+](C)C1 ZINC000091547015 211194984 /nfs/dbraw/zinc/19/49/84/211194984.db2.gz WPBXZHVCDFYDEI-LLVKDONJSA-N 0 3 395.290 2.444 50 0 GEAAHN CN(C(=O)c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)[C@@H]1CC[N@@H+](C)C1 ZINC000091547015 211194993 /nfs/dbraw/zinc/19/49/93/211194993.db2.gz WPBXZHVCDFYDEI-LLVKDONJSA-N 0 3 395.290 2.444 50 0 GEAAHN CCCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cnc(NC)nc1)CC2 ZINC000091585721 211196093 /nfs/dbraw/zinc/19/60/93/211196093.db2.gz NISSXPQGDJRJRR-UHFFFAOYSA-N 0 3 383.500 2.031 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)Cc3cccc(Cl)c3)C[C@H]2CCCO)CC1 ZINC000091817531 211208149 /nfs/dbraw/zinc/20/81/49/211208149.db2.gz HIFZHYLNRCEHQI-QUCCMNQESA-N 0 3 393.959 2.120 50 0 GEAAHN Nc1ncccc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000091504319 211194579 /nfs/dbraw/zinc/19/45/79/211194579.db2.gz HELZPCCHRIWHAL-UHFFFAOYSA-N 0 3 380.496 2.063 50 0 GEAAHN COCCCN1CC2(CCC1=O)CCN(Cc1cnc(N(C)C)s1)CC2 ZINC000091518653 211193915 /nfs/dbraw/zinc/19/39/15/211193915.db2.gz XZYYKIJHSJFDIR-UHFFFAOYSA-N 0 3 380.558 2.450 50 0 GEAAHN Cc1cc(C)n(-c2cccc(CN3CCN(C)[C@]4(C3)CCNC(=O)CC4)c2)n1 ZINC000091425550 211193135 /nfs/dbraw/zinc/19/31/35/211193135.db2.gz QYQDVUXDOIDAPF-QFIPXVFZSA-N 0 3 381.524 2.275 50 0 GEAAHN CN(C)CCOc1cc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)ccn1 ZINC000089314359 211180448 /nfs/dbraw/zinc/18/04/48/211180448.db2.gz HHQBDCRIAGNUJY-UHFFFAOYSA-N 0 3 388.493 2.362 50 0 GEAAHN Cc1ccsc1CN1C[C@H](O)[C@@H](N2CCC(Cc3nc(C)no3)CC2)C1 ZINC000072480263 211124685 /nfs/dbraw/zinc/12/46/85/211124685.db2.gz OZTJHOGTVHXPAK-IRXDYDNUSA-N 0 3 376.526 2.248 50 0 GEAAHN COCCN(C)CC(=O)N1CCCN(Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000072165441 211080242 /nfs/dbraw/zinc/08/02/42/211080242.db2.gz SMYSDUDWFKKNTE-FQEVSTJZSA-N 0 3 379.520 2.463 50 0 GEAAHN COC(=O)[C@@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072127290 211072247 /nfs/dbraw/zinc/07/22/47/211072247.db2.gz NULGBNLQBDVFCS-QGZVFWFLSA-N 0 3 380.488 2.376 50 0 GEAAHN CC(C)[C@@H]1CN(CC(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000071754546 211057915 /nfs/dbraw/zinc/05/79/15/211057915.db2.gz WDOJOVWOTXFPSJ-FQEVSTJZSA-N 0 3 377.504 2.217 50 0 GEAAHN CCCS(=O)(=O)C(C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000071792376 211061972 /nfs/dbraw/zinc/06/19/72/211061972.db2.gz VMYQXPPHSYYWCR-SFHVURJKSA-N 0 3 380.554 2.367 50 0 GEAAHN CN1c2ccccc2[C@](CC(=O)N2CCCNCC2)(Cc2ccccc2)C1=O ZINC000071763947 211060592 /nfs/dbraw/zinc/06/05/92/211060592.db2.gz NPWBZFFIDKIIGT-HSZRJFAPSA-N 0 3 377.488 2.356 50 0 GEAAHN CCN1CCC[C@@H]1C(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071745969 211054276 /nfs/dbraw/zinc/05/42/76/211054276.db2.gz HZWTVZQIVBLCGE-GOSISDBHSA-N 0 3 386.496 2.089 50 0 GEAAHN COc1ccc(F)c(-c2nc(CN3C[C@H](O)[C@@H](N4CCCC4)C3)c(C)o2)c1 ZINC000071404193 211047087 /nfs/dbraw/zinc/04/70/87/211047087.db2.gz WEZWOPMNCCMTDF-OALUTQOASA-N 0 3 375.444 2.439 50 0 GEAAHN COc1ccc(S(=O)(=O)N2CCCSC[C@H]2CN2CCCC2)cc1F ZINC000090609041 211037261 /nfs/dbraw/zinc/03/72/61/211037261.db2.gz AEBBGRYAFPAJTL-CQSZACIVSA-N 0 3 388.530 2.426 50 0 GEAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)CNCCc1nccs1 ZINC000067974962 211030880 /nfs/dbraw/zinc/03/08/80/211030880.db2.gz HVWDNEAFBYMNLZ-GOSISDBHSA-N 0 3 381.448 2.107 50 0 GEAAHN CC(C)C[C@@H](NC(=O)c1cnc2ccccc2c1)c1nnc2n1CCNCC2 ZINC000067821005 211023381 /nfs/dbraw/zinc/02/33/81/211023381.db2.gz PCBICQLIZFMGKR-GOSISDBHSA-N 0 3 378.480 2.489 50 0 GEAAHN COc1cccc(CN2CCC[C@@](O)(CNCc3ccccc3)C2=O)c1OC ZINC000067934560 211029411 /nfs/dbraw/zinc/02/94/11/211029411.db2.gz ANWKZNLXTMYZRR-JOCHJYFZSA-N 0 3 384.476 2.347 50 0 GEAAHN CN1CCCN(c2ncccc2CNc2cc(C(=O)NC3CC3)ccn2)CC1 ZINC000067851475 211024524 /nfs/dbraw/zinc/02/45/24/211024524.db2.gz ITJFXBQALGXRAB-UHFFFAOYSA-N 0 3 380.496 2.123 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@](O)(CNCc3ccc[nH]c3=O)C2=O)cc1 ZINC000067433227 211010035 /nfs/dbraw/zinc/01/00/35/211010035.db2.gz CIRCTOFXWDIHEX-QFIPXVFZSA-N 0 3 383.492 2.142 50 0 GEAAHN C[C@H](Cn1ccnc1)NCc1cccnc1N1CCN(c2ccccn2)CC1 ZINC000067473360 211009603 /nfs/dbraw/zinc/00/96/03/211009603.db2.gz IZIJCDKGSDQOQP-GOSISDBHSA-N 0 3 377.496 2.178 50 0 GEAAHN O=C(CN1CCNCC1)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067490659 211009652 /nfs/dbraw/zinc/00/96/52/211009652.db2.gz NJOPQYFNKTZCFT-UHFFFAOYSA-N 0 3 376.460 2.285 50 0 GEAAHN CC(C)C[C@@H](NC(=O)c1cn(C)c2ccccc12)c1nnc2n1CCNCC2 ZINC000067642731 211013239 /nfs/dbraw/zinc/01/32/39/211013239.db2.gz GKCOQMAPUACFSJ-QGZVFWFLSA-N 0 3 380.496 2.433 50 0 GEAAHN CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)NCCN(C)C)ccn3n2)cc1 ZINC000067261042 211004679 /nfs/dbraw/zinc/00/46/79/211004679.db2.gz MZIYXNQORVDPRQ-UHFFFAOYSA-N 0 3 395.507 2.354 50 0 GEAAHN O=C(CCc1nc(-c2ccncc2)no1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000067181973 211004186 /nfs/dbraw/zinc/00/41/86/211004186.db2.gz LQVWUJOWHMTFHH-SFHVURJKSA-N 0 3 377.448 2.455 50 0 GEAAHN Cc1ccc(NC(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000021795256 210392639 /nfs/dbraw/zinc/39/26/39/210392639.db2.gz BODBCXWKNAFYTE-UHFFFAOYSA-N 0 3 396.495 2.284 50 0 GEAAHN Cc1cc2n(n1)CCC(=O)N2CCCC(=O)N1CCN(C2CCCCC2)CC1 ZINC000020944148 210371558 /nfs/dbraw/zinc/37/15/58/210371558.db2.gz YDZAYAYAWCGUQX-UHFFFAOYSA-N 0 3 387.528 2.185 50 0 GEAAHN CSc1nc2nc(-c3ccc(F)cc3)c(CCN3CCN(C)CC3)cn2n1 ZINC000020218655 210324954 /nfs/dbraw/zinc/32/49/54/210324954.db2.gz WPTRGRQDGSSMAA-UHFFFAOYSA-N 0 3 386.500 2.442 50 0 GEAAHN COc1cccc(CCN[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)c1 ZINC000020136362 210317419 /nfs/dbraw/zinc/31/74/19/210317419.db2.gz UOZYLBUJJCQOIK-IBGZPJMESA-N 0 3 381.432 2.118 50 0 GEAAHN O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@H](N2CCC(O)CC2)[C@H](O)C1 ZINC000011841561 221132820 /nfs/dbraw/zinc/13/28/20/221132820.db2.gz ICODONPKNRRTTL-FGZHOGPDSA-N 0 3 394.515 2.237 50 0 GEAAHN COc1ccccc1C(=O)N1CCN(c2cc(N3CCCC3)nc(C)n2)CC1 ZINC000072442087 136170906 /nfs/dbraw/zinc/17/09/06/136170906.db2.gz KUGYNSVMSMDOOT-UHFFFAOYSA-N 0 3 381.480 2.356 50 0 GEAAHN Cc1nc(N2CCCC2)nc(N2CCC3(CC2)c2[nH]cnc2CCN3C)c1C ZINC000091493092 136176433 /nfs/dbraw/zinc/17/64/33/136176433.db2.gz PGKGJNBBMWOCNZ-UHFFFAOYSA-N 0 3 381.528 2.400 50 0 GEAAHN Cc1cc(N2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)nc(N)n1 ZINC000091829430 136177289 /nfs/dbraw/zinc/17/72/89/136177289.db2.gz DLNKUGVNWMUSLW-UHFFFAOYSA-N 0 3 380.496 2.214 50 0 GEAAHN COCCN1CCN(C2CCN(c3cccc(N4CCCC4=O)c3)CC2)CC1 ZINC000063857602 536872382 /nfs/dbraw/zinc/87/23/82/536872382.db2.gz VDYPJXPGVLYQFF-UHFFFAOYSA-N 0 3 386.540 2.046 50 0 GEAAHN Cc1ccccc1N(CC(=O)N[C@@H](CN(C)C)c1ccccc1)S(C)(=O)=O ZINC000048323986 570235566 /nfs/dbraw/zinc/23/55/66/570235566.db2.gz XSYLBXOPHOVWDZ-SFHVURJKSA-N 0 3 389.521 2.180 50 0 GEAAHN CC(C)(C)CCN1CCN(Cc2nc(CC(=O)NCc3ccccc3)no2)CC1 ZINC000048366521 570246409 /nfs/dbraw/zinc/24/64/09/570246409.db2.gz OSIZKNWXWJOMTB-UHFFFAOYSA-N 0 3 399.539 2.482 50 0 GEAAHN Cc1nc2c(c(=O)n1CC(=O)NCCC(C)C)CN(Cc1ccccc1)CC2 ZINC000049400773 570263931 /nfs/dbraw/zinc/26/39/31/570263931.db2.gz YTETWMAPLOJTJB-UHFFFAOYSA-N 0 3 382.508 2.272 50 0 GEAAHN C[C@@H](C(=O)NCCN(C)C)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000034684524 570301501 /nfs/dbraw/zinc/30/15/01/570301501.db2.gz QUANXGOMXZRSQC-FQEVSTJZSA-N 0 3 394.563 2.460 50 0 GEAAHN Cc1cc(C)n(-c2ccccc2CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)n1 ZINC000108015493 570311739 /nfs/dbraw/zinc/31/17/39/570311739.db2.gz JQKVSQDEQJMQMA-JOCHJYFZSA-N 0 3 381.524 2.275 50 0 GEAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3cccnc3)c2)CC1 ZINC000022913396 570334146 /nfs/dbraw/zinc/33/41/46/570334146.db2.gz BYZZDKCBVXRMRP-QFIPXVFZSA-N 0 3 398.551 2.091 50 0 GEAAHN Cc1ccccc1NC(=O)CSc1nc(=O)n(CCN(C)C)c2c1CCC2 ZINC000004851670 570347132 /nfs/dbraw/zinc/34/71/32/570347132.db2.gz URABADNLRHSVFW-UHFFFAOYSA-N 0 3 386.521 2.333 50 0 GEAAHN COc1ccc(CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000025065849 570405454 /nfs/dbraw/zinc/40/54/54/570405454.db2.gz NSXYDMSQUMQSED-KRWDZBQOSA-N 0 3 380.444 2.317 50 0 GEAAHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005512978 570443444 /nfs/dbraw/zinc/44/34/44/570443444.db2.gz RRKTZKIUPZVBMF-ZWKFKZKKSA-N 0 3 394.471 2.110 50 0 in-vitro GEAAHN COCCc1ccc(OC[C@@H](O)CNCCOc2ccccc2OC)cc1 ZINC000005669835 570450576 /nfs/dbraw/zinc/45/05/76/570450576.db2.gz VTUDUKQLOFDLKS-SFHVURJKSA-N 0 3 375.465 2.292 50 0 GEAAHN O=C(NCCn1ncc2ccccc2c1=O)[C@H]1CCCN(Cc2ccco2)C1 ZINC000223597625 570473670 /nfs/dbraw/zinc/47/36/70/570473670.db2.gz QKAOQEJATMRVMV-KRWDZBQOSA-N 0 3 380.448 2.018 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCOCC4)nc3)cc2)CC1 ZINC000030669542 570493489 /nfs/dbraw/zinc/49/34/89/570493489.db2.gz ZSKBUSSRPYPLON-UHFFFAOYSA-N 0 3 395.507 2.312 50 0 GEAAHN CCN(CC)C(=O)C[C@@]1(c2ccccc2Cl)CC(=O)N(CCN(C)C)C1=O ZINC000011814688 570583819 /nfs/dbraw/zinc/58/38/19/570583819.db2.gz OMSMOXIJVRYASJ-FQEVSTJZSA-N 0 3 393.915 2.157 50 0 GEAAHN O=C(N[C@@H]1CCCN(CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000011873752 570589399 /nfs/dbraw/zinc/58/93/99/570589399.db2.gz JSJPVVISGLZBOU-QGZVFWFLSA-N 0 3 376.460 2.360 50 0 GEAAHN CN(Cc1ccccc1)C1(C(=O)NCCN2CCOC2=O)Cc2ccccc2C1 ZINC000039442862 570591500 /nfs/dbraw/zinc/59/15/00/570591500.db2.gz GGVPSKBYZXIXGD-UHFFFAOYSA-N 0 3 393.487 2.224 50 0 GEAAHN Cc1ccc(NC(=O)c2ccccc2)c(=O)n1CC(=O)NCCN1CCCCC1 ZINC000097938340 570596851 /nfs/dbraw/zinc/59/68/51/570596851.db2.gz XEUQJTKMODOCRK-UHFFFAOYSA-N 0 3 396.491 2.011 50 0 GEAAHN CCN(CC)CC(=O)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000012076345 570605409 /nfs/dbraw/zinc/60/54/09/570605409.db2.gz ZMBNTWKEGCIGTE-HXUWFJFHSA-N 0 3 376.520 2.281 50 0 GEAAHN Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1[C@H](C)C(=O)NCCN(C)C ZINC000006807734 570609087 /nfs/dbraw/zinc/60/90/87/570609087.db2.gz QFZQAECECZWXFV-MRXNPFEDSA-N 0 3 381.480 2.043 50 0 GEAAHN CCCCN(CCCC)Cc1csc2nc3c(c(=O)n(C)c(=O)n3C)n12 ZINC000004593211 570624063 /nfs/dbraw/zinc/62/40/63/570624063.db2.gz FNBBLKKEGSYNQC-UHFFFAOYSA-N 0 3 377.514 2.349 50 0 GEAAHN COC[C@H]1CCCN(CCNC(=O)c2cnn(-c3ccccc3OC)c2C)C1 ZINC000242191350 570688775 /nfs/dbraw/zinc/68/87/75/570688775.db2.gz XEVZTGNYFQDONQ-KRWDZBQOSA-N 0 3 386.496 2.278 50 0 GEAAHN Cc1ccc(CNCc2cccc(OC[C@H](O)CN3CCOCC3)c2)s1 ZINC000012704476 570699981 /nfs/dbraw/zinc/69/99/81/570699981.db2.gz KRNITARJGLPHBW-GOSISDBHSA-N 0 3 376.522 2.418 50 0 GEAAHN Cc1sc2nc(CCC(=O)NCCN3CCC[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000058195533 570718483 /nfs/dbraw/zinc/71/84/83/570718483.db2.gz DXDMEPLLVWVZHM-GFCCVEGCSA-N 0 3 376.526 2.382 50 0 GEAAHN CN(C)CCNC(=O)CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000033062110 570748735 /nfs/dbraw/zinc/74/87/35/570748735.db2.gz ZCKJWMONUVLTPU-UHFFFAOYSA-N 0 3 381.889 2.054 50 0 GEAAHN O=C(NCCN1CCCCC1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255859 570754380 /nfs/dbraw/zinc/75/43/80/570754380.db2.gz FYFOUIPZZPCBIY-OAQYLSRUSA-N 0 3 393.535 2.448 50 0 GEAAHN CCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccc(C)cc4)c3n2)CC1 ZINC000065274570 570776955 /nfs/dbraw/zinc/77/69/55/570776955.db2.gz TUHVKWKGISFPNE-UHFFFAOYSA-N 0 3 392.507 2.072 50 0 GEAAHN CCN(CC)[C@H](CNC(=O)CN1C(=O)NC(CC)(CC)C1=O)c1ccccc1 ZINC000036700642 570796544 /nfs/dbraw/zinc/79/65/44/570796544.db2.gz AIRRDTUGLCBHQA-QGZVFWFLSA-N 0 3 388.512 2.296 50 0 GEAAHN COc1ccc(CN(C)CCC(=O)N2CCN(c3ccccn3)CC2)cc1F ZINC000037170654 570845072 /nfs/dbraw/zinc/84/50/72/570845072.db2.gz MIQOXWIEKZJZLW-UHFFFAOYSA-N 0 3 386.471 2.400 50 0 GEAAHN Cc1cccc2[nH]c(CCN(C)C(=O)NCC3(CN4CCN(C)CC4)CC3)nc21 ZINC000534584414 570903549 /nfs/dbraw/zinc/90/35/49/570903549.db2.gz ZBHCUHCILHMSDB-UHFFFAOYSA-N 0 3 398.555 2.083 50 0 GEAAHN Cc1cccc2nc(CCN(C)C(=O)NCC3(CN4CCN(C)CC4)CC3)[nH]c21 ZINC000534584414 570903550 /nfs/dbraw/zinc/90/35/50/570903550.db2.gz ZBHCUHCILHMSDB-UHFFFAOYSA-N 0 3 398.555 2.083 50 0 GEAAHN Cc1ccccc1OC[C@@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000534653751 570914626 /nfs/dbraw/zinc/91/46/26/570914626.db2.gz OSNKNVUYVZCZQF-LJQANCHMSA-N 0 3 388.556 2.431 50 0 GEAAHN Cc1nn(C)c(N2CCOCC2)c1CNC[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000107713764 570975561 /nfs/dbraw/zinc/97/55/61/570975561.db2.gz XPVZCOWQZLNYDV-KRWDZBQOSA-N 0 3 398.429 2.407 50 0 GEAAHN O=C(Cn1cc(Br)ccc1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000046028638 571013727 /nfs/dbraw/zinc/01/37/27/571013727.db2.gz LNXUFFVABXVTQA-MRXNPFEDSA-N 0 3 390.281 2.002 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)N2CCC(n3cnnc3)CC2)C1 ZINC000426387241 231212909 /nfs/dbraw/zinc/21/29/09/231212909.db2.gz JAKKGUKOAUYZEH-SFHVURJKSA-N 0 3 382.512 2.423 50 0 GEAAHN O=C(NCc1ccc2nsnc2c1)N1CCC(N2CCSCC2)CC1 ZINC000426518827 231234337 /nfs/dbraw/zinc/23/43/37/231234337.db2.gz REBHOWXVKFUYPS-UHFFFAOYSA-N 0 3 377.539 2.414 50 0 GEAAHN CN(C(=O)c1ccc(-c2nc3ccccc3n2CCO)cc1)[C@H]1CCN(C)C1 ZINC000426677401 231251210 /nfs/dbraw/zinc/25/12/10/231251210.db2.gz GSKNLPNMOIIWBZ-SFHVURJKSA-N 0 3 378.476 2.472 50 0 GEAAHN COc1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000018250295 210218545 /nfs/dbraw/zinc/21/85/45/210218545.db2.gz ZHVHDJFDVFKQNU-QGZVFWFLSA-N 0 3 384.432 2.177 50 0 GEAAHN O=C1NC2(CCCC2)C(=O)N1CCCNCc1cc(Cl)c2c(c1)OCCO2 ZINC000015184623 210154307 /nfs/dbraw/zinc/15/43/07/210154307.db2.gz NLDKARNUMCRQOC-UHFFFAOYSA-N 0 3 393.871 2.456 50 0 GEAAHN Cc1c(CN[C@@H]2CCCN(c3ncccn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015065500 210146408 /nfs/dbraw/zinc/14/64/08/210146408.db2.gz JISLVKNDOXJTIE-QGZVFWFLSA-N 0 3 378.480 2.033 50 0 GEAAHN CN(C[C@H]1CCCN(CCc2ccccc2F)C1)C(=O)CCN1CCOCC1 ZINC000014976743 210138016 /nfs/dbraw/zinc/13/80/16/210138016.db2.gz HWSXTVRQJQLADZ-LJQANCHMSA-N 0 3 391.531 2.261 50 0 GEAAHN O=C(CC[C@H]1CCCN(Cc2cnc(N3CCOCC3)s2)C1)NC1CC1 ZINC000014954564 210134584 /nfs/dbraw/zinc/13/45/84/210134584.db2.gz PTCCJGOCLPORKU-OAHLLOKOSA-N 0 3 378.542 2.251 50 0 GEAAHN COc1ccc(CCCN2C(=O)O[C@@H]3CN(c4cc(C)nc(N)n4)C[C@@H]32)cc1 ZINC000014954814 210133648 /nfs/dbraw/zinc/13/36/48/210133648.db2.gz VAQUBPLMBAXUDW-DLBZAZTESA-N 0 3 383.452 2.018 50 0 GEAAHN CN(C)C(=O)c1nn(CC2CCCCC2)c2c1C[C@H](N1CCC(O)CC1)CC2 ZINC000014746808 210126463 /nfs/dbraw/zinc/12/64/63/210126463.db2.gz TTWZDVPLSAYFLI-QGZVFWFLSA-N 0 3 388.556 2.479 50 0 GEAAHN COc1cc(CN[C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)cc(OC)c1 ZINC000014746832 210126010 /nfs/dbraw/zinc/12/60/10/210126010.db2.gz JRTWNXGPZZKFRM-MRXNPFEDSA-N 0 3 398.507 2.320 50 0 GEAAHN CCOC(=O)c1ccc(NC(=O)CC2C(=O)N=C3Nc4ccccc4N32)cc1 ZINC000013684841 210079114 /nfs/dbraw/zinc/07/91/14/210079114.db2.gz DHSVFJKGGGNHKF-INIZCTEOSA-N 0 3 378.388 2.389 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](Cc1ccccc1)n1cnnn1 ZINC000013010177 210045729 /nfs/dbraw/zinc/04/57/29/210045729.db2.gz KIRZYSMLDULWQK-OAQYLSRUSA-N 0 3 390.491 2.238 50 0 GEAAHN C[C@@H](NCc1ccccc1Cn1cccn1)C(=O)NC(=O)NCc1ccccc1 ZINC000012865975 210020397 /nfs/dbraw/zinc/02/03/97/210020397.db2.gz WVIOFYRIGHEOSB-QGZVFWFLSA-N 0 3 391.475 2.436 50 0 GEAAHN COCCN(C)CCNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000072306969 531917584 /nfs/dbraw/zinc/91/75/84/531917584.db2.gz PUVBWMSWJBAKAF-KRWDZBQOSA-N 0 3 398.345 2.280 50 0 GEAAHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43 ZINC000001069090 209296737 /nfs/dbraw/zinc/29/67/37/209296737.db2.gz RRKTZKIUPZVBMF-IBTVXLQLSA-N 0 3 394.471 2.110 50 0 biogenic,investigational GEAAHN Cc1cc(C(=O)NC(C)C)ccc1NC(=O)NCCN1CCCC[C@@H]1CO ZINC000299790709 212038850 /nfs/dbraw/zinc/03/88/50/212038850.db2.gz BUCTYGKIWPGZRA-QGZVFWFLSA-N 0 3 376.501 2.102 50 0 GEAAHN OCCN1CCN(Cc2ccc3c(c2)CN(C[C@H]2CC=CCC2)CCO3)CC1 ZINC000097696354 211371155 /nfs/dbraw/zinc/37/11/55/211371155.db2.gz FBRCVZGLSUESFD-FQEVSTJZSA-N 0 3 385.552 2.347 50 0 GEAAHN CN1CCN(C)[C@H](CC(=O)NC2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000097394058 211365044 /nfs/dbraw/zinc/36/50/44/211365044.db2.gz IAFQJLUBMIKJGQ-GOSISDBHSA-N 0 3 378.948 2.057 50 0 GEAAHN CCNC(=O)c1cc(NC(=O)NCCN2CCCC[C@@H]2CO)ccc1Cl ZINC000097447000 211364943 /nfs/dbraw/zinc/36/49/43/211364943.db2.gz WLYXQJPISCEFSG-CQSZACIVSA-N 0 3 382.892 2.058 50 0 GEAAHN COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095525437 211272048 /nfs/dbraw/zinc/27/20/48/211272048.db2.gz MNOOWFQFPJEFBA-QGZVFWFLSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095525437 211272052 /nfs/dbraw/zinc/27/20/52/211272052.db2.gz MNOOWFQFPJEFBA-QGZVFWFLSA-N 0 3 398.507 2.114 50 0 GEAAHN COc1cc(CN2CCOC(C)(C)C2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095527929 211271497 /nfs/dbraw/zinc/27/14/97/211271497.db2.gz RPTDCMHAZKIXGI-GOSISDBHSA-N 0 3 378.513 2.142 50 0 GEAAHN COCC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(C)cc1OC)CC2 ZINC000095524311 211269215 /nfs/dbraw/zinc/26/92/15/211269215.db2.gz SWLBWEBCLNHULO-UHFFFAOYSA-N 0 3 398.507 2.249 50 0 GEAAHN COCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc(C)cc1OC)CC2 ZINC000095524311 211269219 /nfs/dbraw/zinc/26/92/19/211269219.db2.gz SWLBWEBCLNHULO-UHFFFAOYSA-N 0 3 398.507 2.249 50 0 GEAAHN COc1cc(CN(C)Cc2cc(C)on2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095519608 211266650 /nfs/dbraw/zinc/26/66/50/211266650.db2.gz NXSDQKWHGAAYCV-IBGZPJMESA-N 0 3 389.496 2.459 50 0 GEAAHN O[C@H](COc1ccc(CN2CCC(O)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095516999 211265300 /nfs/dbraw/zinc/26/53/00/211265300.db2.gz KWPOQVTTWISEKF-QHCPKHFHSA-N 0 3 396.531 2.441 50 0 GEAAHN COc1ccc(CNC(=O)CC[C@@H]2CCCN(C(=O)C(C)(C)N)C2)c(OC)c1 ZINC000095511958 211262346 /nfs/dbraw/zinc/26/23/46/211262346.db2.gz ATPXPRRYCPJBJQ-HNNXBMFYSA-N 0 3 391.512 2.076 50 0 GEAAHN Cc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095509383 211259650 /nfs/dbraw/zinc/25/96/50/211259650.db2.gz QLKGFVZYYJEHNE-SFHVURJKSA-N 0 3 382.508 2.413 50 0 GEAAHN Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095509383 211259652 /nfs/dbraw/zinc/25/96/52/211259652.db2.gz QLKGFVZYYJEHNE-SFHVURJKSA-N 0 3 382.508 2.413 50 0 GEAAHN CN(C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506659 211257739 /nfs/dbraw/zinc/25/77/39/211257739.db2.gz VHGARYLXQFOMRB-MRXNPFEDSA-N 0 3 389.475 2.125 50 0 GEAAHN Cc1ccnn1CCC(=O)N1CCC2(CC1)c1[nH]cnc1CCN2CC(C)C ZINC000095502039 211256145 /nfs/dbraw/zinc/25/61/45/211256145.db2.gz FSEWGDJVWKMMBK-UHFFFAOYSA-N 0 3 384.528 2.337 50 0 GEAAHN CCN1CCN(C[C@H](O)COc2ccc(CN3CCCCC3)cc2OC)CC1 ZINC000095501262 211253070 /nfs/dbraw/zinc/25/30/70/211253070.db2.gz ANOAKURYYCSLBZ-FQEVSTJZSA-N 0 3 391.556 2.058 50 0 GEAAHN Cc1cccc(C(=O)N2CCC3(CCC(=O)N(CCC[NH+](C)C)C3)CC2)c1[O-] ZINC000095389094 211236620 /nfs/dbraw/zinc/23/66/20/211236620.db2.gz SRKANBBOFQCXMF-UHFFFAOYSA-N 0 3 387.524 2.497 50 0 GEAAHN CN1CCN(C[C@@H]2CN(Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CO)CC1 ZINC000095384769 211235055 /nfs/dbraw/zinc/23/50/55/211235055.db2.gz ARGXBDBDWHCTHP-NHCUHLMSSA-N 0 3 387.568 2.296 50 0 GEAAHN Cc1nn(CC(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)cc1Cl ZINC000095375250 211229769 /nfs/dbraw/zinc/22/97/69/211229769.db2.gz SBGBKIIAICKFHC-HNNXBMFYSA-N 0 3 378.908 2.009 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)CCN3CCOCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095366891 211227072 /nfs/dbraw/zinc/22/70/72/211227072.db2.gz DQISVSAEZLZYNP-MDNUFGMLSA-N 0 3 383.536 2.106 50 0 GEAAHN Cc1nn(-c2ccccc2)cc1CN1C[C@H]2CC[C@@H]1CN(CC(=O)N(C)C)C2 ZINC000095372392 211227133 /nfs/dbraw/zinc/22/71/33/211227133.db2.gz KIPSGTHSBCFFMQ-GHTZIAJQSA-N 0 3 381.524 2.165 50 0 GEAAHN OCCC[C@@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)CC[C@@H]1N1CCOCC1 ZINC000095365559 211226542 /nfs/dbraw/zinc/22/65/42/211226542.db2.gz ZIIFSGLZCJKWEB-CTNGQTDRSA-N 0 3 390.572 2.438 50 0 GEAAHN OCCC[C@@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)CC[C@@H]1N1CCOCC1 ZINC000095365559 211226547 /nfs/dbraw/zinc/22/65/47/211226547.db2.gz ZIIFSGLZCJKWEB-CTNGQTDRSA-N 0 3 390.572 2.438 50 0 GEAAHN CN(C)C(=O)CN1C[C@H]2CC[C@H](CN2Cc2cn(C)nc2-c2ccccc2)C1 ZINC000095364596 211226329 /nfs/dbraw/zinc/22/63/29/211226329.db2.gz VSASNJIWPIWVGX-FXAWDEMLSA-N 0 3 381.524 2.072 50 0 GEAAHN Cc1nn(C)cc1CN1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000091943181 211209927 /nfs/dbraw/zinc/20/99/27/211209927.db2.gz AULVULDHJCUKOT-OAQYLSRUSA-N 0 3 382.512 2.232 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)CCCc3cccs3)C[C@H]2CCCO)CC1 ZINC000092064809 211214954 /nfs/dbraw/zinc/21/49/54/211214954.db2.gz SSSXWNUWDVHBRL-QUCCMNQESA-N 0 3 393.597 2.308 50 0 GEAAHN Cc1c(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CCC2)cnn1C ZINC000091746016 211205596 /nfs/dbraw/zinc/20/55/96/211205596.db2.gz SKUIOZRGDMPAQV-UHFFFAOYSA-N 0 3 382.512 2.128 50 0 GEAAHN Cc1ccnc(-n2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)cn2)c1 ZINC000089701861 211184105 /nfs/dbraw/zinc/18/41/05/211184105.db2.gz GVVZPVROIHAAFS-IAGOWNOFSA-N 0 3 391.541 2.222 50 0 GEAAHN CN(c1ncccc1C(=O)NCc1cc2n(n1)CCCNC2)C1CCCCC1 ZINC000082098119 211159581 /nfs/dbraw/zinc/15/95/81/211159581.db2.gz MJBHQCIKENINPD-UHFFFAOYSA-N 0 3 382.512 2.470 50 0 GEAAHN CC(C)C[C@@H](CN(C)C)NC(=O)CNC(=O)c1ccc(Br)s1 ZINC000079060617 211154882 /nfs/dbraw/zinc/15/48/82/211154882.db2.gz CWZIENIIQJYCQY-NSHDSACASA-N 0 3 390.347 2.333 50 0 GEAAHN COc1ccc(-c2ccccc2)cc1N1C(=O)[C@@H]2C[C@H]1CN2C(=O)C(C)(C)N ZINC000077423053 211132586 /nfs/dbraw/zinc/13/25/86/211132586.db2.gz DLMGUXWNFVWPQV-WMZOPIPTSA-N 0 3 379.460 2.416 50 0 GEAAHN Cc1[nH]nc(C2CC2)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072423149 211115847 /nfs/dbraw/zinc/11/58/47/211115847.db2.gz MQNSIUWFFBZHQC-NRFANRHFSA-N 0 3 387.528 2.002 50 0 GEAAHN Cc1n[nH]c(C2CC2)c1C(=O)N1CCC[C@@]2(CCC(=O)N(CCN(C)C)C2)C1 ZINC000072423149 211115850 /nfs/dbraw/zinc/11/58/50/211115850.db2.gz MQNSIUWFFBZHQC-NRFANRHFSA-N 0 3 387.528 2.002 50 0 GEAAHN c1cn(Cc2noc(Cc3ccccc3)n2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072423577 211115747 /nfs/dbraw/zinc/11/57/47/211115747.db2.gz BZSONEOGTPXBTO-UHFFFAOYSA-N 0 3 375.436 2.262 50 0 GEAAHN CO[C@H]1[C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ccccc2C12CC[NH2+]CC2 ZINC000072474109 211121938 /nfs/dbraw/zinc/12/19/38/211121938.db2.gz QXTYDOCEDHJORO-MOPGFXCFSA-N 0 3 377.448 2.079 50 0 GEAAHN COC(=O)c1cc(N2C[C@@H](c3ccc(OC)cc3)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072169220 211080730 /nfs/dbraw/zinc/08/07/30/211080730.db2.gz SSAVNGXQTAMYCY-IOMROCGXSA-N 0 3 394.475 2.338 50 0 GEAAHN CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000069419188 211038467 /nfs/dbraw/zinc/03/84/67/211038467.db2.gz YBSVRFGGMODSMA-HXUWFJFHSA-N 0 3 380.492 2.360 50 0 GEAAHN Cc1ccc(-c2nc(CNC(=O)C[C@H]3CNCCO3)[nH]c2-c2ccccn2)cc1 ZINC000067974401 211031278 /nfs/dbraw/zinc/03/12/78/211031278.db2.gz RXBIYGCOXVGKFC-KRWDZBQOSA-N 0 3 391.475 2.442 50 0 GEAAHN Cc1ccc(-c2[nH]c(CNC(=O)C[C@H]3CNCCO3)nc2-c2ccccn2)cc1 ZINC000067974401 211031280 /nfs/dbraw/zinc/03/12/80/211031280.db2.gz RXBIYGCOXVGKFC-KRWDZBQOSA-N 0 3 391.475 2.442 50 0 GEAAHN COc1ccc(C(=O)Nc2ccnn2C2CCN(C(=O)C(C)(C)N)CC2)cc1 ZINC000067852298 211024083 /nfs/dbraw/zinc/02/40/83/211024083.db2.gz XPBSPAXFSXGLIT-UHFFFAOYSA-N 0 3 385.468 2.045 50 0 GEAAHN COc1cccc(CN2CCC[C@](O)(CNCc3ccccc3)C2=O)c1OC ZINC000067934559 211028250 /nfs/dbraw/zinc/02/82/50/211028250.db2.gz ANWKZNLXTMYZRR-QFIPXVFZSA-N 0 3 384.476 2.347 50 0 GEAAHN CCc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)cc1 ZINC000067614106 211013200 /nfs/dbraw/zinc/01/32/00/211013200.db2.gz XRWFYJDBXKZYPY-UHFFFAOYSA-N 0 3 395.507 2.146 50 0 GEAAHN COc1ccc(CC(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000067614210 211012628 /nfs/dbraw/zinc/01/26/28/211012628.db2.gz DLUMJFMOFNPAOZ-UHFFFAOYSA-N 0 3 395.507 2.285 50 0 GEAAHN CCCN1CCN(CCCNC(=O)C2=C(C)C(=O)OC23CCCCC3)CC1 ZINC000020532896 210345384 /nfs/dbraw/zinc/34/53/84/210345384.db2.gz ZCRHJVRXBBCCAN-UHFFFAOYSA-N 0 3 377.529 2.097 50 0 GEAAHN Cc1cccn2c(CN[C@H](C)Cc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000019838841 210301251 /nfs/dbraw/zinc/30/12/51/210301251.db2.gz VTGMIMWMEQBCEN-QGZVFWFLSA-N 0 3 393.491 2.231 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(OC)cc3)C2=O)cc1 ZINC000019790842 210295721 /nfs/dbraw/zinc/29/57/21/210295721.db2.gz RWHYNOLKKVMKMB-LJQANCHMSA-N 0 3 396.443 2.336 50 0 GEAAHN Cc1ccccc1CN1CCc2nnc(CCNC(=O)c3ccoc3)n2CC1 ZINC000019789531 210294451 /nfs/dbraw/zinc/29/44/51/210294451.db2.gz IFXQWFNCMNIDQR-UHFFFAOYSA-N 0 3 379.464 2.210 50 0 GEAAHN CCN(CC)CCc1nnc(NC(=O)N2CCC[C@@H]2c2nc(C)no2)s1 ZINC000019720640 210289611 /nfs/dbraw/zinc/28/96/11/210289611.db2.gz IIHBCSBROJQLMC-GFCCVEGCSA-N 0 3 379.490 2.483 50 0 GEAAHN COCCN1CCC(CN(C)c2nc3nonc3nc2NC2CCCC2)CC1 ZINC000011934046 221137839 /nfs/dbraw/zinc/13/78/39/221137839.db2.gz QYOKOCUXGRCLIC-UHFFFAOYSA-N 0 3 389.504 2.162 50 0 GEAAHN Cc1ccc2nc(C)cc(C(=O)N3CCN(c4cc(C)nc(N)n4)CC3)c2c1 ZINC000065419502 136163928 /nfs/dbraw/zinc/16/39/28/136163928.db2.gz APETUQUDBSRMRC-UHFFFAOYSA-N 0 3 376.464 2.495 50 0 GEAAHN O[C@H]1CN(c2ccnc3ccccc32)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000072149619 136167014 /nfs/dbraw/zinc/16/70/14/136167014.db2.gz IIZBBKCVTRZWOQ-SFTDATJTSA-N 0 3 375.476 2.002 50 0 GEAAHN COc1cccc(CN2CCC[C@@H](Nc3cc(N4CCOCC4)ncn3)C2)c1 ZINC000072478161 136171403 /nfs/dbraw/zinc/17/14/03/136171403.db2.gz JJOUACPKKXNFAE-GOSISDBHSA-N 0 3 383.496 2.398 50 0 GEAAHN c1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cnc(N4CCOCC4)nc3)C2)cc1 ZINC000095363459 136178049 /nfs/dbraw/zinc/17/80/49/136178049.db2.gz AMYRNFSROQLGMA-RBBKRZOGSA-N 0 3 393.535 2.410 50 0 GEAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(OC)c(N3CCOCC3)c1)C2 ZINC000095383666 136178689 /nfs/dbraw/zinc/17/86/89/136178689.db2.gz LMGHBIAAUTZAJL-IEBWSBKVSA-N 0 3 387.524 2.478 50 0 GEAAHN CCN1CCN(c2cc(CN[C@H](C)CC(=O)N3CCCCCC3)ccn2)CC1 ZINC000095421344 136179027 /nfs/dbraw/zinc/17/90/27/136179027.db2.gz KVCWJFDNQYAWGW-LJQANCHMSA-N 0 3 387.572 2.494 50 0 GEAAHN CCc1cc(N2CCC(N[C@H](C)c3nncn3C)CC2)nc(N2CCCC2)n1 ZINC000095503454 136180255 /nfs/dbraw/zinc/18/02/55/136180255.db2.gz MUZYQFCKTLCOLH-OAHLLOKOSA-N 0 3 384.532 2.087 50 0 GEAAHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc2c(n1)CCCC2=O ZINC000095997255 136183017 /nfs/dbraw/zinc/18/30/17/136183017.db2.gz PTUVJRPTNVAYGA-UHFFFAOYSA-N 0 3 392.503 2.429 50 0 GEAAHN O=C(CN1CCCN(Cc2ccccc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000022930805 136204573 /nfs/dbraw/zinc/20/45/73/136204573.db2.gz WREKLZLNEFYLFD-UHFFFAOYSA-N 0 3 378.476 2.180 50 0 GEAAHN CCc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1 ZINC000067601962 222150682 /nfs/dbraw/zinc/15/06/82/222150682.db2.gz GFUWDVVYWZNZLQ-UHFFFAOYSA-N 0 3 381.542 2.006 50 0 GEAAHN O=C(NCC1CCN(CCO)CC1)N1CCC(Oc2cccc(F)c2)CC1 ZINC000426578889 534820842 /nfs/dbraw/zinc/82/08/42/534820842.db2.gz XGLKRALEYRTWCJ-UHFFFAOYSA-N 0 3 379.476 2.083 50 0 GEAAHN CN(C)C[C@@H](CNC(=O)Nc1cccnc1-n1cccn1)[C@H](O)c1ccccc1 ZINC000048197870 570219869 /nfs/dbraw/zinc/21/98/69/570219869.db2.gz IJLPNWQUPPHISL-IEBWSBKVSA-N 0 3 394.479 2.300 50 0 GEAAHN Cn1c(C[C@H](NC[C@@H](O)CN2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000012809773 570221663 /nfs/dbraw/zinc/22/16/63/570221663.db2.gz SKOWXVTURZPSQT-CTNGQTDRSA-N 0 3 394.519 2.140 50 0 GEAAHN C[NH+](C)[C@H]1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048261788 570224580 /nfs/dbraw/zinc/22/45/80/570224580.db2.gz KLBDMJIQOXVSOO-FQEVSTJZSA-N 0 3 392.507 2.012 50 0 GEAAHN O=C(NCC1CCN([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000575415654 570306183 /nfs/dbraw/zinc/30/61/83/570306183.db2.gz MRGAOTPCWFOBRD-MRXNPFEDSA-N 0 3 399.413 2.261 50 0 GEAAHN COCCN1CC[C@@]2(CN(Cc3ccc(F)cc3C)CCN2C)CCC1=O ZINC000107410480 570309667 /nfs/dbraw/zinc/30/96/67/570309667.db2.gz OVTFLKLHCBKAHH-OAQYLSRUSA-N 0 3 377.504 2.279 50 0 GEAAHN O=S(=O)(NCC1CCN([C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000575608395 570331510 /nfs/dbraw/zinc/33/15/10/570331510.db2.gz SLDIAJIKZAHUOU-OAHLLOKOSA-N 0 3 392.443 2.485 50 0 GEAAHN O=C(CNC(=O)CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000022930938 570336693 /nfs/dbraw/zinc/33/66/93/570336693.db2.gz NUHDERSOWFZXCM-UHFFFAOYSA-N 0 3 398.482 2.088 50 0 GEAAHN O=C(CN1C(=O)CCCC1=O)N1CCC[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000023158346 570347373 /nfs/dbraw/zinc/34/73/73/570347373.db2.gz RUAJNLJBTPYUGX-HSZRJFAPSA-N 0 3 397.519 2.430 50 0 GEAAHN CN1CCN(C[C@H](O)COc2ccc(CNC3(c4ccccc4)CC3)cc2)CC1 ZINC000023358873 570356463 /nfs/dbraw/zinc/35/64/63/570356463.db2.gz QMUOJEQPUAGWJY-QFIPXVFZSA-N 0 3 395.547 2.453 50 0 GEAAHN CN(C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC000024733976 570390605 /nfs/dbraw/zinc/39/06/05/570390605.db2.gz YQIDJTIKRQJGRA-UXHICEINSA-N 0 3 386.517 2.206 50 0 GEAAHN CC(=O)c1ccc(OC[C@H](O)CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695250 570418252 /nfs/dbraw/zinc/41/82/52/570418252.db2.gz DOHJXNLIPUQWJL-RDTXWAMCSA-N 0 3 391.489 2.383 50 0 GEAAHN O=C(NCCCN1CC=C(c2ccccc2)CC1)c1nc(-c2ccncn2)no1 ZINC000064459844 570465376 /nfs/dbraw/zinc/46/53/76/570465376.db2.gz NQCKPVIUPKMYFJ-UHFFFAOYSA-N 0 3 390.447 2.436 50 0 GEAAHN CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000030503671 570489947 /nfs/dbraw/zinc/48/99/47/570489947.db2.gz KKHFANVUFGXLGT-UHFFFAOYSA-N 0 3 387.505 2.354 50 0 GEAAHN O=C(Nc1ccccc1)C1CC(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1 ZINC000061718141 570501148 /nfs/dbraw/zinc/50/11/48/570501148.db2.gz KOZXOMMRMHPLNQ-HNNXBMFYSA-N 0 3 390.399 2.299 50 0 GEAAHN COc1cc(CNC[C@@H](C)O)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000007540366 570507771 /nfs/dbraw/zinc/50/77/71/570507771.db2.gz GGZPUGCKLJENCX-OAHLLOKOSA-N 0 3 383.452 2.029 50 0 GEAAHN Cc1cccc(CN(CCN2CCOCC2)C[C@@H](O)COCc2ccco2)c1 ZINC000036098583 570536677 /nfs/dbraw/zinc/53/66/77/570536677.db2.gz LHLLXNOHHUXLRA-OAQYLSRUSA-N 0 3 388.508 2.300 50 0 GEAAHN C[C@@H](C(=O)NCCN1CCCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064839541 570560712 /nfs/dbraw/zinc/56/07/12/570560712.db2.gz XCGXKEDHRLWXLR-HNNXBMFYSA-N 0 3 381.480 2.051 50 0 GEAAHN Cc1nc2ccccc2n(CC(=O)NC2CCN(Cc3ccccc3)CC2)c1=O ZINC000032974605 570562643 /nfs/dbraw/zinc/56/26/43/570562643.db2.gz TUVYAGZUSREPCE-UHFFFAOYSA-N 0 3 390.487 2.486 50 0 GEAAHN CN(C)CCNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000010111520 570565558 /nfs/dbraw/zinc/56/55/58/570565558.db2.gz QLGFTFPROFNEQZ-UHFFFAOYSA-N 0 3 395.912 2.213 50 0 GEAAHN CCC(CC)CN1CCc2nnc(CCNC(=O)COc3ccccc3)n2CC1 ZINC000011869861 570588783 /nfs/dbraw/zinc/58/87/83/570588783.db2.gz STPRACOHMCBWDV-UHFFFAOYSA-N 0 3 399.539 2.310 50 0 GEAAHN Cc1cccc(-n2ccnc2CN2CCN(C3CCN(C)CC3)[C@H](CCO)C2)c1 ZINC000039358351 570589599 /nfs/dbraw/zinc/58/95/99/570589599.db2.gz HVVIIFAXRPFWJN-JOCHJYFZSA-N 0 3 397.567 2.144 50 0 GEAAHN CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)CC1 ZINC000011945312 570595372 /nfs/dbraw/zinc/59/53/72/570595372.db2.gz FKRXWFWDAYODOW-FQEVSTJZSA-N 0 3 386.540 2.203 50 0 GEAAHN CCc1nn2c(nnc3c2ccn(CCN(C)C)c3=O)c1-c1ccc(F)cc1 ZINC000040391626 570600186 /nfs/dbraw/zinc/60/01/86/570600186.db2.gz ZSQDBENOSDRBKM-UHFFFAOYSA-N 0 3 380.427 2.369 50 0 GEAAHN CN(CCN1CCCCC1)C(=O)c1cc(COc2ccc3c(c2)OCO3)[nH]n1 ZINC000012195688 570623143 /nfs/dbraw/zinc/62/31/43/570623143.db2.gz CWIHLPKMXOEDTP-UHFFFAOYSA-N 0 3 386.452 2.275 50 0 GEAAHN CN(CCN1CCCCC1)C(=O)c1cc(COc2ccc3c(c2)OCO3)n[nH]1 ZINC000012195688 570623147 /nfs/dbraw/zinc/62/31/47/570623147.db2.gz CWIHLPKMXOEDTP-UHFFFAOYSA-N 0 3 386.452 2.275 50 0 GEAAHN O=C(C1CCN(C2CCN(c3nc4ccccc4o3)CC2)CC1)N1CCOCC1 ZINC000012207346 570626292 /nfs/dbraw/zinc/62/62/92/570626292.db2.gz JLPGOGJUQGXFKS-UHFFFAOYSA-N 0 3 398.507 2.367 50 0 GEAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000012441111 570664530 /nfs/dbraw/zinc/66/45/30/570664530.db2.gz DNOOLZPQCOBBSI-SFHVURJKSA-N 0 3 391.471 2.406 50 0 GEAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CNCc1cnc2ccccn12 ZINC000055133459 570684463 /nfs/dbraw/zinc/68/44/63/570684463.db2.gz OHFXDXZMLYWCNB-NRFANRHFSA-N 0 3 382.439 2.117 50 0 GEAAHN Cn1c(CO)nnc1C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000244873134 570697737 /nfs/dbraw/zinc/69/77/37/570697737.db2.gz WKOIFUCQTMATSJ-UHFFFAOYSA-N 0 3 377.876 2.169 50 0 GEAAHN NC(=O)C1(N2CCCCC2)CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000012706559 570700496 /nfs/dbraw/zinc/70/04/96/570700496.db2.gz SFYQGIALHPIDRJ-UHFFFAOYSA-N 0 3 375.498 2.104 50 0 GEAAHN CN(C)Cc1ccccc1CNC(=O)NCc1cccc(CS(C)(=O)=O)c1 ZINC000058168132 570714365 /nfs/dbraw/zinc/71/43/65/570714365.db2.gz UHSGRCVVNICXNW-UHFFFAOYSA-N 0 3 389.521 2.292 50 0 GEAAHN CN(CCNC(=O)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1)Cc1ccccc1 ZINC000004374000 570719845 /nfs/dbraw/zinc/71/98/45/570719845.db2.gz JMGILLYQNSQBTI-GOSISDBHSA-N 0 3 384.455 2.362 50 0 GEAAHN CN1CCC(N2CCN(C(=O)Cc3cccn3-c3ccc(F)cc3)CC2)CC1 ZINC000065170815 570719918 /nfs/dbraw/zinc/71/99/18/570719918.db2.gz GTEANIVTRPTPDX-UHFFFAOYSA-N 0 3 384.499 2.397 50 0 GEAAHN CCn1c(CN2CCC[C@H](C(=O)N3CCN(CC)CC3)C2)nc2ccccc21 ZINC000249695365 570722703 /nfs/dbraw/zinc/72/27/03/570722703.db2.gz QVZYHWBOARCSJE-SFHVURJKSA-N 0 3 383.540 2.432 50 0 GEAAHN CCc1ccc([C@H](CNC(=O)c2sc(S(N)(=O)=O)cc2C)N(C)C)cc1 ZINC000058441308 570733963 /nfs/dbraw/zinc/73/39/63/570733963.db2.gz FRAOCBFDRSCTAG-HNNXBMFYSA-N 0 3 395.550 2.299 50 0 GEAAHN O=C(NCCN1CCCCC1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256027 570754802 /nfs/dbraw/zinc/75/48/02/570754802.db2.gz UMCTYHHCEZVCCU-NRFANRHFSA-N 0 3 393.535 2.448 50 0 GEAAHN COc1cccc(N2C[C@H](C(=O)NC[C@@H](c3ccccc3)N(C)C)CC2=O)c1 ZINC000032755349 570797806 /nfs/dbraw/zinc/79/78/06/570797806.db2.gz RSUPSVVIUFFHBE-XLIONFOSSA-N 0 3 381.476 2.467 50 0 GEAAHN O=C(CN1CCCCCC1)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000007339515 570830637 /nfs/dbraw/zinc/83/06/37/570830637.db2.gz WGFOOLALWRSMMS-LICLKQGHSA-N 0 3 391.537 2.007 50 0 GEAAHN O=C(NCCN1CCCCC1)/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000004575685 570904057 /nfs/dbraw/zinc/90/40/57/570904057.db2.gz NNSQKMIZOZKSHP-SILNSSARSA-N 0 3 378.476 2.455 50 0 GEAAHN Cc1ccccc1OC[C@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000534653750 570914782 /nfs/dbraw/zinc/91/47/82/570914782.db2.gz OSNKNVUYVZCZQF-IBGZPJMESA-N 0 3 388.556 2.431 50 0 GEAAHN CCN(CC)[C@H](CNC(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccsc1 ZINC000046945899 570937907 /nfs/dbraw/zinc/93/79/07/570937907.db2.gz AXWUYMGIKMADFC-JKSUJKDBSA-N 0 3 387.571 2.061 50 0 GEAAHN C[C@@H]1CCC=C2C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3[C@H](O)[C@@]21C ZINC000002157209 570973475 /nfs/dbraw/zinc/97/34/75/570973475.db2.gz NIQPEHCERNDLQS-JTCHRBOTSA-N 0 3 391.508 2.110 50 0 GEAAHN NC(=O)c1ccc(NC(=O)CCN(CCO)Cc2cccc(Cl)c2)cc1 ZINC000252492242 570974302 /nfs/dbraw/zinc/97/43/02/570974302.db2.gz MGKMUBFEUXJTIX-UHFFFAOYSA-N 0 3 375.856 2.262 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 ZINC000108240580 570985929 /nfs/dbraw/zinc/98/59/29/570985929.db2.gz JQCVSIYBRLFSLU-WBVHZDCISA-N 0 3 376.892 2.101 50 0 GEAAHN O=C(c1cc2c(s1)CCNC2)N1CCNC(=O)[C@@H]1c1ccccc1Cl ZINC000888101575 654066163 /nfs/dbraw/zinc/06/61/63/654066163.db2.gz JSVJIEATIOGVET-INIZCTEOSA-N 0 3 375.881 2.361 50 0 GEAAHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC(N2CCOCC2)CC1 ZINC000426412461 231216882 /nfs/dbraw/zinc/21/68/82/231216882.db2.gz UEKKLWUZLKJBLW-FQEVSTJZSA-N 0 3 386.540 2.157 50 0 GEAAHN Cc1ccc(F)c(CN2CCC[C@@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000426473690 231224592 /nfs/dbraw/zinc/22/45/92/231224592.db2.gz USTZCNVMRBIYGG-QGZVFWFLSA-N 0 3 387.503 2.474 50 0 GEAAHN COCCN1CC[C@H](CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1 ZINC000426519375 231234089 /nfs/dbraw/zinc/23/40/89/231234089.db2.gz XSGYRRGPBKMBJK-MRXNPFEDSA-N 0 3 379.476 2.347 50 0 GEAAHN CCOC(=O)c1nn(CCN(C)C)c2c1CN(Cc1ccc3c(c1)CCO3)CC2 ZINC000019217920 210232038 /nfs/dbraw/zinc/23/20/38/210232038.db2.gz INDAGBAOSBLNOK-UHFFFAOYSA-N 0 3 398.507 2.115 50 0 GEAAHN CNC(=O)CCc1cccc(NC(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000426652097 529860244 /nfs/dbraw/zinc/86/02/44/529860244.db2.gz UTMUNWLJDLWCBA-IBGZPJMESA-N 0 3 388.512 2.130 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000015679184 210162881 /nfs/dbraw/zinc/16/28/81/210162881.db2.gz VQCABHGOFVHDFL-INIZCTEOSA-N 0 3 387.436 2.187 50 0 GEAAHN CN(Cc1c[nH]nc1-c1ccc(F)cc1)C(=O)NCCN1CCCC[C@@H]1CO ZINC000426477300 529974708 /nfs/dbraw/zinc/97/47/08/529974708.db2.gz YFPVAGOZXXQDFN-GOSISDBHSA-N 0 3 389.475 2.204 50 0 GEAAHN CCC(CC)CN1CCc2nnc(CNC(=O)c3ccc(COC)o3)n2CC1 ZINC000014988623 210140807 /nfs/dbraw/zinc/14/08/07/210140807.db2.gz UYDCYORNBLNJLP-UHFFFAOYSA-N 0 3 389.500 2.242 50 0 GEAAHN Cc1ccc(C)c(CN2CCC(n3cc(C(=O)N4CCOCC4)nn3)CC2)c1 ZINC000014956495 210133119 /nfs/dbraw/zinc/13/31/19/210133119.db2.gz YABWUURTBXHKOI-UHFFFAOYSA-N 0 3 383.496 2.204 50 0 GEAAHN CN(Cc1ccco1)[C@@H]1CCc2c(c(C(=O)NCc3ccncc3)nn2C)C1 ZINC000014733061 210124664 /nfs/dbraw/zinc/12/46/64/210124664.db2.gz ZXICVVKBQGPXNR-MRXNPFEDSA-N 0 3 379.464 2.327 50 0 GEAAHN Cc1noc2ncnc(N3CCC[C@H](C(=O)NCCN4CCCCCC4)C3)c12 ZINC000007004675 209714001 /nfs/dbraw/zinc/71/40/01/209714001.db2.gz VYSUMTKUKNVPLM-INIZCTEOSA-N 0 3 386.500 2.135 50 0 GEAAHN Cc1nc(Cc2ccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2)n[nH]1 ZINC000299802242 212041053 /nfs/dbraw/zinc/04/10/53/212041053.db2.gz YHVBWHICUFIIBQ-ROUUACIJSA-N 0 3 384.484 2.079 50 0 GEAAHN Cc1n[nH]c(Cc2ccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2)n1 ZINC000299802242 212041057 /nfs/dbraw/zinc/04/10/57/212041057.db2.gz YHVBWHICUFIIBQ-ROUUACIJSA-N 0 3 384.484 2.079 50 0 GEAAHN Cc1nnc(Cc2ccc(NC(=O)N[C@H]3COC[C@@H]3N3CCCCC3)cc2)[nH]1 ZINC000299802242 212041058 /nfs/dbraw/zinc/04/10/58/212041058.db2.gz YHVBWHICUFIIBQ-ROUUACIJSA-N 0 3 384.484 2.079 50 0 GEAAHN Cc1c(C(=O)N2CCOCC2)sc2ncnc(NCCN3CCCCC3)c12 ZINC000299781941 212037026 /nfs/dbraw/zinc/03/70/26/212037026.db2.gz MAUOXDFEZMETFQ-UHFFFAOYSA-N 0 3 389.525 2.370 50 0 GEAAHN CN1CCC(CNC(=O)c2ccc3[nH]c(CO)nc3c2)(c2ccccc2)CC1 ZINC000299784800 212036638 /nfs/dbraw/zinc/03/66/38/212036638.db2.gz HTOMQHUXKGMEIC-UHFFFAOYSA-N 0 3 378.476 2.449 50 0 GEAAHN O=C(NC[C@@H]1CCN(Cc2ccccc2)C1)Nc1cccc(-n2cnnn2)c1 ZINC000299770063 212035540 /nfs/dbraw/zinc/03/55/40/212035540.db2.gz ZCXQRKDYMIXAKL-KRWDZBQOSA-N 0 3 377.452 2.306 50 0 GEAAHN CCCn1nc(CNCCc2ccc(S(N)(=O)=O)cc2)c(-c2ccccc2)n1 ZINC000261491769 212028897 /nfs/dbraw/zinc/02/88/97/212028897.db2.gz ILOBBWBYLBWXMU-UHFFFAOYSA-N 0 3 399.520 2.335 50 0 GEAAHN COCCN(C)c1ccc(CN[C@@H](C)CN2CCN(c3ccccc3)CC2)cn1 ZINC000252490815 211984007 /nfs/dbraw/zinc/98/40/07/211984007.db2.gz LBXFWYYXLCWUIQ-FQEVSTJZSA-N 0 3 397.567 2.465 50 0 GEAAHN COc1ccc2occ(C3CC(=O)Oc4nc5ccccn5c(=O)c43)c(=O)c2c1 ZINC000096223348 211318910 /nfs/dbraw/zinc/31/89/10/211318910.db2.gz OBTJLDAXBPBDCR-LBPRGKRZSA-N 0 3 390.351 2.251 50 0 GEAAHN Cn1c(Cn2cncn2)nnc1C1CCN(Cc2ccc3ccccc3n2)CC1 ZINC000096131134 211304112 /nfs/dbraw/zinc/30/41/12/211304112.db2.gz WKYQSRALCXUZQT-UHFFFAOYSA-N 0 3 388.479 2.383 50 0 GEAAHN CN(CCNC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1)C1CC1 ZINC000095958724 211287198 /nfs/dbraw/zinc/28/71/98/211287198.db2.gz BODKLKWURIHLBW-UHFFFAOYSA-N 0 3 379.892 2.189 50 0 GEAAHN Cc1c(C(=O)N[C@@H]2CCN(CC3CC3)C2)nnn1-c1cccc2cnccc21 ZINC000095954798 211286228 /nfs/dbraw/zinc/28/62/28/211286228.db2.gz QUXADHASCLVBHO-QGZVFWFLSA-N 0 3 376.464 2.338 50 0 GEAAHN COc1ccc(CN(C)Cc2ncc[nH]2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000095531027 211275708 /nfs/dbraw/zinc/27/57/08/211275708.db2.gz VCGGNCLUSFFESJ-SFHVURJKSA-N 0 3 388.512 2.276 50 0 GEAAHN COc1cc(CN2CCCCC2)ccc1OC[C@H](O)CN1CCSCC1 ZINC000095519991 211267502 /nfs/dbraw/zinc/26/75/02/211267502.db2.gz CSOQTFUSVFNDBY-GOSISDBHSA-N 0 3 380.554 2.470 50 0 GEAAHN CN(C)CCn1ccnc1C1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1 ZINC000095520023 211266684 /nfs/dbraw/zinc/26/66/84/211266684.db2.gz KDHCWXMAIIABMD-UHFFFAOYSA-N 0 3 380.496 2.270 50 0 GEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@H]1NCCc2nc[nH]c21 ZINC000095498344 211251554 /nfs/dbraw/zinc/25/15/54/211251554.db2.gz VJLIHHKLXGTCJX-NRFANRHFSA-N 0 3 399.514 2.149 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1c(Cl)cnn1C)CC2 ZINC000095496997 211251665 /nfs/dbraw/zinc/25/16/65/211251665.db2.gz XSTDSYVPFDSDDZ-UHFFFAOYSA-N 0 3 376.892 2.196 50 0 GEAAHN C[C@H](CCC(=O)N1CCc2[nH]c(-c3ccccc3)nc2C1)N1CCN(C)CC1 ZINC000095512883 211262698 /nfs/dbraw/zinc/26/26/98/211262698.db2.gz ZBTCBRMVYPBNMS-QGZVFWFLSA-N 0 3 381.524 2.378 50 0 GEAAHN C[C@H](CCC(=O)N1CCc2nc(-c3ccccc3)[nH]c2C1)N1CCN(C)CC1 ZINC000095512883 211262701 /nfs/dbraw/zinc/26/27/01/211262701.db2.gz ZBTCBRMVYPBNMS-QGZVFWFLSA-N 0 3 381.524 2.378 50 0 GEAAHN O=C(c1cnc[n-]c1=O)N(Cc1cccnc1)CC1CC[NH+](C2CCCC2)CC1 ZINC000095503808 211255391 /nfs/dbraw/zinc/25/53/91/211255391.db2.gz PHMBNRLMVPKRHI-UHFFFAOYSA-N 0 3 395.507 2.462 50 0 GEAAHN Cc1cc(=O)n(CC(=O)N(CCc2ccccc2)CC2CCN(C)CC2)nc1C ZINC000095501526 211252762 /nfs/dbraw/zinc/25/27/62/211252762.db2.gz IIEHNMOSNOUQCY-UHFFFAOYSA-N 0 3 396.535 2.273 50 0 GEAAHN Cc1c(Cl)c(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)nn1C ZINC000095390286 211237905 /nfs/dbraw/zinc/23/79/05/211237905.db2.gz GBNYIDGNCHKAQW-AWEZNQCLSA-N 0 3 378.908 2.160 50 0 GEAAHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095462633 211244449 /nfs/dbraw/zinc/24/44/49/211244449.db2.gz CSBCNKPGEFHRLW-BLVKFPJESA-N 0 3 391.468 2.325 50 0 GEAAHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000095462631 211244012 /nfs/dbraw/zinc/24/40/12/211244012.db2.gz CSBCNKPGEFHRLW-CWTRNNRKSA-N 0 3 391.468 2.325 50 0 GEAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)CN3CCCCC3=O)C2)cc1 ZINC000095357341 211223302 /nfs/dbraw/zinc/22/33/02/211223302.db2.gz ALWAGRKPHWSSIT-RBUKOAKNSA-N 0 3 385.508 2.131 50 0 GEAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(-c3ccc(OC)cc3)n[nH]1)C2 ZINC000095359265 211223168 /nfs/dbraw/zinc/22/31/68/211223168.db2.gz XZDHJAYWIGSNGX-NVXWUHKLSA-N 0 3 384.480 2.268 50 0 GEAAHN CCCNc1ncc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cn1 ZINC000095353147 211222005 /nfs/dbraw/zinc/22/20/05/211222005.db2.gz CBKJVVODKSAKQR-UHFFFAOYSA-N 0 3 388.560 2.065 50 0 GEAAHN COc1ccccc1CNC(=O)CN1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000095390061 211236270 /nfs/dbraw/zinc/23/62/70/211236270.db2.gz RPBKOTBMURXOEZ-HSZRJFAPSA-N 0 3 399.535 2.426 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2nn(C)c3c2CCCC3)C1 ZINC000095368846 211227784 /nfs/dbraw/zinc/22/77/84/211227784.db2.gz QITAVLBNZCGCMI-MRXNPFEDSA-N 0 3 384.528 2.077 50 0 GEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(Cc3cccc(OC(F)F)c3)C[C@@H]2C1 ZINC000095362972 211224918 /nfs/dbraw/zinc/22/49/18/211224918.db2.gz DQDXVPGTQLSDBS-DNVCBOLYSA-N 0 3 383.439 2.228 50 0 GEAAHN CC(C)N1CCC[C@@]2(CCN(CC(=O)NCCc3ccc(F)cc3)C2)C1=O ZINC000092028202 211215490 /nfs/dbraw/zinc/21/54/90/211215490.db2.gz ZRPMYWKVAKCMTF-NRFANRHFSA-N 0 3 375.488 2.207 50 0 GEAAHN CC(C)N1CCC[C@]2(CCN(CC(=O)NCCc3ccc(F)cc3)C2)C1=O ZINC000092028201 211214001 /nfs/dbraw/zinc/21/40/01/211214001.db2.gz ZRPMYWKVAKCMTF-OAQYLSRUSA-N 0 3 375.488 2.207 50 0 GEAAHN C[C@](N)(Cc1ccccc1)C(=O)N1CCC2(CC1)Nc1ccccc1NC2=O ZINC000091987718 211213190 /nfs/dbraw/zinc/21/31/90/211213190.db2.gz ZVKMZDFHDWCJTQ-NRFANRHFSA-N 0 3 378.476 2.372 50 0 GEAAHN Cc1c(Cl)cccc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091665858 211203310 /nfs/dbraw/zinc/20/33/10/211203310.db2.gz SBVKLHAVTKRNEX-XLIONFOSSA-N 0 3 393.959 2.499 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CCC(=O)N(CCCn3ccnc3)C2)CC1 ZINC000091650094 211200867 /nfs/dbraw/zinc/20/08/67/211200867.db2.gz WGMTZXUKIBBFHA-UHFFFAOYSA-N 0 3 384.528 2.220 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2CCCO)CC1 ZINC000091594956 211196802 /nfs/dbraw/zinc/19/68/02/211196802.db2.gz JJMGHUZIJFABPH-NQIIRXRSSA-N 0 3 384.524 2.019 50 0 GEAAHN O=C(CSCCN1CCCC1)N1CCC[C@@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000091563464 211196574 /nfs/dbraw/zinc/19/65/74/211196574.db2.gz HZXPEDCRCXAPPM-HXUWFJFHSA-N 0 3 379.570 2.209 50 0 GEAAHN O=C1CCC2(CCN(CCn3cc(Cl)cn3)CC2)CN1C[C@H]1CCCO1 ZINC000091350819 211189641 /nfs/dbraw/zinc/18/96/41/211189641.db2.gz CYRSKIIMHLOUSP-QGZVFWFLSA-N 0 3 380.920 2.420 50 0 GEAAHN Cc1ccnc(-n2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@H](C)C3)cn2)c1 ZINC000089701859 211183041 /nfs/dbraw/zinc/18/30/41/211183041.db2.gz GVVZPVROIHAAFS-CALCHBBNSA-N 0 3 391.541 2.222 50 0 GEAAHN COCCN1CC[C@]2(CN(Cc3cccc(C)c3F)CCN2C)CCC1=O ZINC000091547766 211194088 /nfs/dbraw/zinc/19/40/88/211194088.db2.gz QYNIBRJTEGOPEK-NRFANRHFSA-N 0 3 377.504 2.279 50 0 GEAAHN CN1CCCN(C(=O)c2cnc(Cc3c(Cl)cccc3Cl)[nH]c2=O)CC1 ZINC000091493525 211194160 /nfs/dbraw/zinc/19/41/60/211194160.db2.gz QYTAEOACERIMDF-UHFFFAOYSA-N 0 3 395.290 2.445 50 0 GEAAHN CCc1ncc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)cn1 ZINC000091526742 211193846 /nfs/dbraw/zinc/19/38/46/211193846.db2.gz SJSYWKRDTMRAIQ-NRFANRHFSA-N 0 3 382.512 2.209 50 0 GEAAHN CSCC[C@H](N)C(=O)N1CCC2(CCC(=O)N(Cc3ccccc3)C2)CC1 ZINC000091426745 211192404 /nfs/dbraw/zinc/19/24/04/211192404.db2.gz KDZOTLZOPGGSKM-SFHVURJKSA-N 0 3 389.565 2.498 50 0 GEAAHN CN1CCN(CCC(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)CC1 ZINC000082097616 211160502 /nfs/dbraw/zinc/16/05/02/211160502.db2.gz RHJKCPZROZQBNL-OAQYLSRUSA-N 0 3 395.551 2.275 50 0 GEAAHN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cc2n(n1)CCCNC2 ZINC000082096454 211159444 /nfs/dbraw/zinc/15/94/44/211159444.db2.gz DYPSRXWDKHPEEI-UHFFFAOYSA-N 0 3 378.480 2.038 50 0 GEAAHN CN(C)CCN1C[C@@]2(CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1=O ZINC000082133976 211162197 /nfs/dbraw/zinc/16/21/97/211162197.db2.gz LCBJAVMIRCMZGN-NRFANRHFSA-N 0 3 375.488 2.161 50 0 GEAAHN COc1ccc2[nH]nc(C(=O)N3CCC([C@H](C)N4CCN(C)CC4)CC3)c2c1 ZINC000077408071 211133103 /nfs/dbraw/zinc/13/31/03/211133103.db2.gz ARGVFTXOYZAFKM-HNNXBMFYSA-N 0 3 385.512 2.060 50 0 GEAAHN CN(C)CCNC(=O)Cn1c(=O)n(-c2ccc(Cl)cc2)nc1-c1ccccc1 ZINC000077355556 211130967 /nfs/dbraw/zinc/13/09/67/211130967.db2.gz NIVRSJOVXVYAKY-UHFFFAOYSA-N 0 3 399.882 2.032 50 0 GEAAHN O=C(c1[nH]nc2ccccc21)N1CCN(CCc2ccccc2)[C@@H](CCO)C1 ZINC000072434492 211120719 /nfs/dbraw/zinc/12/07/19/211120719.db2.gz CKDRWFNSROSUHN-SFHVURJKSA-N 0 3 378.476 2.314 50 0 GEAAHN O=C1C[C@@H](n2ccnc2-c2cc3n(n2)CCCNC3)CN1c1ccc(F)cc1 ZINC000072435358 211120396 /nfs/dbraw/zinc/12/03/96/211120396.db2.gz ITTAQWYWQIEBNW-QGZVFWFLSA-N 0 3 380.427 2.357 50 0 GEAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1 ZINC000072146164 211076875 /nfs/dbraw/zinc/07/68/75/211076875.db2.gz BVXKRLQKINEWIC-IBGZPJMESA-N 0 3 376.464 2.399 50 0 GEAAHN CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccnc(-n3cnnc3)c2)C1 ZINC000072146163 211075476 /nfs/dbraw/zinc/07/54/76/211075476.db2.gz BVXKRLQKINEWIC-LJQANCHMSA-N 0 3 376.464 2.399 50 0 GEAAHN COC(=O)CN(C)C(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072167283 211080475 /nfs/dbraw/zinc/08/04/75/211080475.db2.gz OUNQJSSPTYLEBE-UHFFFAOYSA-N 0 3 380.488 2.330 50 0 GEAAHN Cn1ncc2c1nc(-c1cccnc1)nc2N[C@H]1COC[C@@H]1N1CCCCC1 ZINC000072159199 211078860 /nfs/dbraw/zinc/07/88/60/211078860.db2.gz ILEWYRHBFSPJRM-IRXDYDNUSA-N 0 3 379.468 2.091 50 0 GEAAHN C[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000072132002 211072930 /nfs/dbraw/zinc/07/29/30/211072930.db2.gz YWFLMXKRKINLMG-CQSZACIVSA-N 0 3 377.485 2.047 50 0 GEAAHN C[N@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1cc(C(N)=O)oc1C(C)(C)C)CC2 ZINC000072132002 211072933 /nfs/dbraw/zinc/07/29/33/211072933.db2.gz YWFLMXKRKINLMG-CQSZACIVSA-N 0 3 377.485 2.047 50 0 GEAAHN N[C@@H]1c2ccccc2C2(CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)[C@H]1O ZINC000072127312 211070982 /nfs/dbraw/zinc/07/09/82/211070982.db2.gz KKYZBLHCFMOUSL-YADHBBJMSA-N 0 3 390.487 2.430 50 0 GEAAHN CC(C)[C@H]1CN(C(=O)CN2CCOC2=O)CCCN1Cc1ccc(F)cc1 ZINC000071753932 211058609 /nfs/dbraw/zinc/05/86/09/211058609.db2.gz HLXDKRKUDOKSRB-GOSISDBHSA-N 0 3 377.460 2.337 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc(=O)[nH]c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071736328 211053187 /nfs/dbraw/zinc/05/31/87/211053187.db2.gz XVWATWXHSJXUQZ-CEWLAPEOSA-N 0 3 379.460 2.086 50 0 GEAAHN CC(C)[C@H]1CN(C(=O)Cn2cccnc2=O)CCCN1Cc1ccc(F)cc1 ZINC000071714887 211052190 /nfs/dbraw/zinc/05/21/90/211052190.db2.gz KWPYVSNFWZBUBF-LJQANCHMSA-N 0 3 386.471 2.142 50 0 GEAAHN O=S(=O)(NCc1ccccc1)N1CCCN(C2Cc3ccccc3C2)CC1 ZINC000071662762 211051084 /nfs/dbraw/zinc/05/10/84/211051084.db2.gz ZIWSUKNTINLXQP-UHFFFAOYSA-N 0 3 385.533 2.196 50 0 GEAAHN O=C(NCc1cccnc1-n1cccn1)[C@H]1CCCN(Cc2cccnc2)C1 ZINC000069419843 211038155 /nfs/dbraw/zinc/03/81/55/211038155.db2.gz SSVLVYPAECDWKJ-IBGZPJMESA-N 0 3 376.464 2.191 50 0 GEAAHN CC(C)C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)N1CCOCC1 ZINC000070009129 211040820 /nfs/dbraw/zinc/04/08/20/211040820.db2.gz LFALGAOBICEHMR-RTWAWAEBSA-N 0 3 388.556 2.157 50 0 GEAAHN NC[C@@H](O)C(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067946432 211030705 /nfs/dbraw/zinc/03/07/05/211030705.db2.gz HDXVODVVNVDHOC-QGZVFWFLSA-N 0 3 384.457 2.315 50 0 GEAAHN Cc1nnc(CCNC[C@@]2(O)CCCN(CCC3CCCCC3)C2=O)s1 ZINC000067833325 211023644 /nfs/dbraw/zinc/02/36/44/211023644.db2.gz IXHZPNLOIJUAGH-IBGZPJMESA-N 0 3 380.558 2.303 50 0 GEAAHN O=C(C[C@@H]1CNCCO1)NCc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067742132 211019644 /nfs/dbraw/zinc/01/96/44/211019644.db2.gz MAKSHZJDPNUOHA-MRXNPFEDSA-N 0 3 395.438 2.273 50 0 GEAAHN O=C(C[C@@H]1CNCCO1)NCc1nc(-c2ccccn2)c(-c2cccc(F)c2)[nH]1 ZINC000067742132 211019648 /nfs/dbraw/zinc/01/96/48/211019648.db2.gz MAKSHZJDPNUOHA-MRXNPFEDSA-N 0 3 395.438 2.273 50 0 GEAAHN Cc1cc(NCCn2cc(C(=O)N3CCSCC3)nn2)c2ccccc2n1 ZINC000067723517 211019222 /nfs/dbraw/zinc/01/92/22/211019222.db2.gz RTUWHIQLNSODPU-UHFFFAOYSA-N 0 3 382.493 2.436 50 0 GEAAHN CN(C)CCN(C)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)cn1 ZINC000067714162 211017411 /nfs/dbraw/zinc/01/74/11/211017411.db2.gz KNVXDMOLDOPMMB-UHFFFAOYSA-N 0 3 383.496 2.158 50 0 GEAAHN O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)CNCCc1ccccn1 ZINC000067472801 211009486 /nfs/dbraw/zinc/00/94/86/211009486.db2.gz BUFNCWLOJCEUMD-FQEVSTJZSA-N 0 3 375.419 2.046 50 0 GEAAHN COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3ccco3)C2=O)c1 ZINC000067673156 211014901 /nfs/dbraw/zinc/01/49/01/211014901.db2.gz VPCFQDKWAVHQDG-HXUWFJFHSA-N 0 3 376.428 2.113 50 0 GEAAHN O=C([C@H]1CCCN(c2nnc3ccccn32)C1)N1CCN(C2CCCCC2)CC1 ZINC000065312223 210987233 /nfs/dbraw/zinc/98/72/33/210987233.db2.gz WPWGRUSMGYAFLU-SFHVURJKSA-N 0 3 396.539 2.423 50 0 GEAAHN Cc1cccc(-c2ncc(CNCCc3ccc(S(N)(=O)=O)cc3)cn2)c1 ZINC000055325096 210886030 /nfs/dbraw/zinc/88/60/30/210886030.db2.gz OUAXYZWCKDKPEW-UHFFFAOYSA-N 0 3 382.489 2.432 50 0 GEAAHN O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCN1CCCC1 ZINC000021540206 210386268 /nfs/dbraw/zinc/38/62/68/210386268.db2.gz GPHHPOCJVCFOQM-UHFFFAOYSA-N 0 3 382.489 2.405 50 0 GEAAHN COc1ccc(CN2CCCCCC2)cc1OC[C@H](O)CN1CCN(C)CC1 ZINC000020542754 210346153 /nfs/dbraw/zinc/34/61/53/210346153.db2.gz JUZVEWPISPHYDA-HXUWFJFHSA-N 0 3 391.556 2.058 50 0 GEAAHN Cc1nc(N2CCCC2)cc(N2CCN(C(=O)COc3ccccc3)CC2)n1 ZINC000065363095 136163582 /nfs/dbraw/zinc/16/35/82/136163582.db2.gz KVPHAGZARKTGPN-UHFFFAOYSA-N 0 3 381.480 2.113 50 0 GEAAHN O=C(CCc1cc2n(n1)CCCNC2)NCCCN1CCCc2ccccc21 ZINC000072431866 136170139 /nfs/dbraw/zinc/17/01/39/136170139.db2.gz HKIPEJQPPWVRBJ-UHFFFAOYSA-N 0 3 381.524 2.268 50 0 GEAAHN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@@H]12 ZINC000025184312 136202857 /nfs/dbraw/zinc/20/28/57/136202857.db2.gz TWLQEMWQOREMFR-GGAORHGYSA-N 0 3 390.487 2.135 50 0 GEAAHN Cc1cc(N2CC[C@@H](Nc3ncccn3)[C@H](O)C2)c2cc3c(cc2n1)OCO3 ZINC000426359977 533900254 /nfs/dbraw/zinc/90/02/54/533900254.db2.gz QVLSTKPVKQOAFN-RHSMWYFYSA-N 0 3 379.420 2.114 50 0 GEAAHN Cc1cc(N2CCC(c3nnc(CN4CCCC4)n3C3CC3)CC2)nc(N)n1 ZINC000096149287 570214845 /nfs/dbraw/zinc/21/48/45/570214845.db2.gz DKBCHQWJZVYJTE-UHFFFAOYSA-N 0 3 382.516 2.273 50 0 GEAAHN COc1cccc([C@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)c1 ZINC000111393938 570215752 /nfs/dbraw/zinc/21/57/52/570215752.db2.gz XRQRCPMUGJAZSW-LJQANCHMSA-N 0 3 388.512 2.212 50 0 GEAAHN Nc1nc(N2CCN(C3CCCCC3)CC2)ncc1C(=O)NCc1ccccc1 ZINC000049401496 570263855 /nfs/dbraw/zinc/26/38/55/570263855.db2.gz GFTCNKZRECVPGZ-UHFFFAOYSA-N 0 3 394.523 2.444 50 0 GEAAHN CN(C)CCN(Cc1ccsc1)C(=O)NCc1ccc(C(=O)N(C)C)o1 ZINC000584903011 570270567 /nfs/dbraw/zinc/27/05/67/570270567.db2.gz JFXKQBUDOICUOG-UHFFFAOYSA-N 0 3 378.498 2.316 50 0 GEAAHN O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000012911937 570291138 /nfs/dbraw/zinc/29/11/38/570291138.db2.gz FFVJFRLBLPLCFV-GOSISDBHSA-N 0 3 398.507 2.022 50 0 GEAAHN O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000023762102 570332702 /nfs/dbraw/zinc/33/27/02/570332702.db2.gz OAMFFRCSOLQVEF-UHFFFAOYSA-N 0 3 392.459 2.014 50 0 GEAAHN CC1CCN(CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000007728863 570341010 /nfs/dbraw/zinc/34/10/10/570341010.db2.gz UCNRBUYAGSLQHS-UHFFFAOYSA-N 0 3 379.526 2.214 50 0 GEAAHN CN(C)C[C@H](O)c1cc2n(n1)CCCN(Cc1c[nH]nc1-c1ccccc1)C2 ZINC000218974059 570344649 /nfs/dbraw/zinc/34/46/49/570344649.db2.gz JCGAFRLQTXGZBI-FQEVSTJZSA-N 0 3 380.496 2.274 50 0 GEAAHN CN1CCC(OCCCNC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000584903712 570350265 /nfs/dbraw/zinc/35/02/65/570350265.db2.gz AZJDVAHIKXYYEO-LJQANCHMSA-N 0 3 379.476 2.410 50 0 GEAAHN Cn1c2ccccc2n(CC(=O)NC[C@@H](c2ccccc2)N2CCCC2)c1=O ZINC000023742404 570371237 /nfs/dbraw/zinc/37/12/37/570371237.db2.gz DOJPWVSLPSLOQX-FQEVSTJZSA-N 0 3 378.476 2.293 50 0 GEAAHN CC(=O)c1ccc(OC[C@@H](O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695262 570418318 /nfs/dbraw/zinc/41/83/18/570418318.db2.gz DOHJXNLIPUQWJL-KSSFIOAISA-N 0 3 391.489 2.383 50 0 GEAAHN O=C(C1CC1)N1CCC(NCc2ccc(OCCO)cc2Br)CC1 ZINC000042209326 570438769 /nfs/dbraw/zinc/43/87/69/570438769.db2.gz CYZVMDHWUYLBMW-UHFFFAOYSA-N 0 3 397.313 2.311 50 0 GEAAHN O=C(Cn1nc(-c2ccco2)ccc1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000061720712 570503536 /nfs/dbraw/zinc/50/35/36/570503536.db2.gz JSUWQDGWZBDGOI-UHFFFAOYSA-N 0 3 392.459 2.284 50 0 GEAAHN COC(=O)C1=C(CN2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000034087020 570530908 /nfs/dbraw/zinc/53/09/08/570530908.db2.gz QMWZRJLRSYZWDN-KSMMKXTCSA-N 0 3 387.480 2.454 50 0 GEAAHN COc1ccc(CN(CCN2CCOCC2)C[C@H](O)COC(C)(C)C)cc1 ZINC000036102081 570539216 /nfs/dbraw/zinc/53/92/16/570539216.db2.gz OZIOZHRZPKSZRW-IBGZPJMESA-N 0 3 380.529 2.005 50 0 GEAAHN Cc1ccccc1CN(CCN1CCOCC1)C[C@H](O)COCc1ccco1 ZINC000036104371 570541009 /nfs/dbraw/zinc/54/10/09/570541009.db2.gz FRPXVLLMKCOKSH-NRFANRHFSA-N 0 3 388.508 2.300 50 0 GEAAHN CC[C@@H](C(=O)NCCN1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787519 570544383 /nfs/dbraw/zinc/54/43/83/570544383.db2.gz QBTRUHLUAWGOSE-KRWDZBQOSA-N 0 3 381.480 2.051 50 0 GEAAHN COCCN1CCC[C@H](CNC(=O)c2cc(COc3ccc(C)nc3)on2)C1 ZINC000011667262 570578913 /nfs/dbraw/zinc/57/89/13/570578913.db2.gz NHGAVORUXNAGQJ-MRXNPFEDSA-N 0 3 388.468 2.045 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)CCCn2cncn2)C1 ZINC000011775187 570582541 /nfs/dbraw/zinc/58/25/41/570582541.db2.gz ATVMOEZOZHZCJE-LJQANCHMSA-N 0 3 399.539 2.480 50 0 GEAAHN CN(Cc1ccccc1)C1(C(=O)NC[C@H]2COCCO2)Cc2ccccc2C1 ZINC000039362209 570590135 /nfs/dbraw/zinc/59/01/35/570590135.db2.gz DSLUWENJVIXNKC-NRFANRHFSA-N 0 3 380.488 2.188 50 0 GEAAHN CN(Cc1ccccc1)C1(C(=O)NC[C@@H]2COCCO2)Cc2ccccc2C1 ZINC000039362207 570590236 /nfs/dbraw/zinc/59/02/36/570590236.db2.gz DSLUWENJVIXNKC-OAQYLSRUSA-N 0 3 380.488 2.188 50 0 GEAAHN C[C@@H]1CCCCN1CCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21 ZINC000006797598 570597726 /nfs/dbraw/zinc/59/77/26/570597726.db2.gz VJAXVIQYHTWKRX-QGZVFWFLSA-N 0 3 395.507 2.420 50 0 GEAAHN CC[C@@H](C(=O)NCCN1CCCC[C@@H]1C)n1nc(C)n2c3ccoc3cc2c1=O ZINC000006807501 570608682 /nfs/dbraw/zinc/60/86/82/570608682.db2.gz YWBFFCPLXBDBOQ-HOCLYGCPSA-N 0 3 399.495 2.492 50 0 GEAAHN O=C(c1scc2c1CCCC2)N1CCC(=O)N(CCN2CCCC2)CC1 ZINC000012191439 570622147 /nfs/dbraw/zinc/62/21/47/570622147.db2.gz AXKFMSVYSFVSBL-UHFFFAOYSA-N 0 3 375.538 2.397 50 0 GEAAHN C[C@H]1CCCCN1CCNC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987476 570631341 /nfs/dbraw/zinc/63/13/41/570631341.db2.gz VUDSNSHDFPCZGH-AWEZNQCLSA-N 0 3 383.496 2.489 50 0 GEAAHN CC(C)CCN1CCc2nnc([C@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000012280573 570632387 /nfs/dbraw/zinc/63/23/87/570632387.db2.gz LBDZWEDVBCFFJI-KRWDZBQOSA-N 0 3 385.512 2.439 50 0 GEAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNC[C@H]1COCCO1 ZINC000012302690 570637251 /nfs/dbraw/zinc/63/72/51/570637251.db2.gz FOYQVZWRPFAIDF-SFHVURJKSA-N 0 3 394.475 2.112 50 0 GEAAHN O=C(N[C@@H]1CCN2CCCC[C@@H]12)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000229714044 570666254 /nfs/dbraw/zinc/66/62/54/570666254.db2.gz QJEJWRREMXEQKX-CABCVRRESA-N 0 3 397.566 2.279 50 0 GEAAHN CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)[n-]c(=O)n1 ZINC000012571482 570680908 /nfs/dbraw/zinc/68/09/08/570680908.db2.gz GAUJEOFEYVENIC-GOSISDBHSA-N 0 3 394.519 2.330 50 0 GEAAHN CC(C)Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[n-]c(=O)n1 ZINC000012571482 570680912 /nfs/dbraw/zinc/68/09/12/570680912.db2.gz GAUJEOFEYVENIC-GOSISDBHSA-N 0 3 394.519 2.330 50 0 GEAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@H]1CCCN(C2Cc3ccccc3C2)C1 ZINC000012578070 570682722 /nfs/dbraw/zinc/68/27/22/570682722.db2.gz WMQYFTHZAIXXAQ-SFHVURJKSA-N 0 3 391.471 2.343 50 0 GEAAHN COc1cccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)c1OCCN(C)C ZINC000055153202 570684395 /nfs/dbraw/zinc/68/43/95/570684395.db2.gz KSUMCUXTMIBXBP-LJQANCHMSA-N 0 3 383.492 2.048 50 0 GEAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)CNCc1cnc2ccccn12 ZINC000055133455 570684739 /nfs/dbraw/zinc/68/47/39/570684739.db2.gz OHFXDXZMLYWCNB-OAQYLSRUSA-N 0 3 382.439 2.117 50 0 GEAAHN COc1cc(CNCc2ccsc2)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000012587142 570685438 /nfs/dbraw/zinc/68/54/38/570685438.db2.gz ZCBODNKRSUVDJN-SFHVURJKSA-N 0 3 392.521 2.118 50 0 GEAAHN COCCN1CC[C@@H](C(=O)Nc2nnc(CCOc3ccc(C)cc3)s2)C1 ZINC000055270788 570689723 /nfs/dbraw/zinc/68/97/23/570689723.db2.gz VEPNJMBBXAAXIO-OAHLLOKOSA-N 0 3 390.509 2.375 50 0 GEAAHN CCOC(=O)c1noc2ncnc(N(Cc3ccco3)C3CCN(C)CC3)c12 ZINC000006917412 570703612 /nfs/dbraw/zinc/70/36/12/570703612.db2.gz MCPVSFHZIFCONR-UHFFFAOYSA-N 0 3 385.424 2.488 50 0 GEAAHN CCOC(=O)C1CCN([C@@H](C)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000058441180 570734167 /nfs/dbraw/zinc/73/41/67/570734167.db2.gz WBTFWQUUBCFYDB-FXAWDEMLSA-N 0 3 387.524 2.041 50 0 GEAAHN CCc1c(C)nn(C)c1NC(=O)c1cccc(CN2CCC[C@H](C(N)=O)C2)c1 ZINC000065375545 570762522 /nfs/dbraw/zinc/76/25/22/570762522.db2.gz OKMNBZIXBWTRNK-KRWDZBQOSA-N 0 3 383.496 2.241 50 0 GEAAHN CCOc1c(C)cc(S(=O)(=O)NCC2CCN(CCOC)CC2)cc1C ZINC000022999875 570777682 /nfs/dbraw/zinc/77/76/82/570777682.db2.gz GUKIMBHCKVHTGH-UHFFFAOYSA-N 0 3 384.542 2.339 50 0 GEAAHN CCn1c(=O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)nc2cccnc21 ZINC000065282720 570780199 /nfs/dbraw/zinc/78/01/99/570780199.db2.gz JIERVYCTHCDBQD-UHFFFAOYSA-N 0 3 391.475 2.206 50 0 GEAAHN COc1ccccc1CNC(=O)[C@H](C)NCC1(N2CCOCC2)CCCCC1 ZINC000032797211 570819422 /nfs/dbraw/zinc/81/94/22/570819422.db2.gz HQIZWNQOZYLTQH-SFHVURJKSA-N 0 3 389.540 2.325 50 0 GEAAHN O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1CN1CCCCC1 ZINC000014240929 570836021 /nfs/dbraw/zinc/83/60/21/570836021.db2.gz KHORSTJGPRFYMC-UHFFFAOYSA-N 0 3 398.507 2.153 50 0 GEAAHN CSc1ccccc1CN1CCC(CNC(=O)C(=O)Nc2ccon2)CC1 ZINC000043942519 570841942 /nfs/dbraw/zinc/84/19/42/570841942.db2.gz YRHWAVBTAWTHAT-UHFFFAOYSA-N 0 3 388.493 2.363 50 0 GEAAHN CCOC(=O)c1c(C)oc2nc(C)nc(NCCCN3CCN(C)CC3)c21 ZINC000033250191 570859285 /nfs/dbraw/zinc/85/92/85/570859285.db2.gz OFRFQCOIUDSHDF-UHFFFAOYSA-N 0 3 375.473 2.066 50 0 GEAAHN CNS(=O)(=O)c1cc(C(=O)NCc2ccc(CN(C)C)cc2)cc(C)c1C ZINC000015172145 570883429 /nfs/dbraw/zinc/88/34/29/570883429.db2.gz XLHDBAIESAUXAI-UHFFFAOYSA-N 0 3 389.521 2.203 50 0 GEAAHN Cc1c(C(=O)NCCN2CCCC2)nnn1-c1ccc(Br)cc1 ZINC000051318058 570910244 /nfs/dbraw/zinc/91/02/44/570910244.db2.gz HHVWHYMEUIWAPJ-UHFFFAOYSA-N 0 3 378.274 2.164 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)C[C@H](Cn1cnnn1)c1ccc(Cl)cc1 ZINC000108240575 570986285 /nfs/dbraw/zinc/98/62/85/570986285.db2.gz JQCVSIYBRLFSLU-NVXWUHKLSA-N 0 3 376.892 2.101 50 0 GEAAHN Cc1cc(C(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)nc(C)n1 ZINC000095523527 571089321 /nfs/dbraw/zinc/08/93/21/571089321.db2.gz NXUGRHQBNZDPGK-UHFFFAOYSA-N 0 3 382.512 2.462 50 0 GEAAHN CN1CCN(C[C@@H]2CN(c3nc4ccc(Cl)cc4s3)C[C@@H]2CO)CC1 ZINC000091493801 643065785 /nfs/dbraw/zinc/06/57/85/643065785.db2.gz HVDXQYQEHGZCIQ-ZIAGYGMSSA-N 0 3 380.945 2.242 50 0 GEAAHN CS(=O)(=O)c1ccc(C2(C(=O)NC[C@@H]3C[C@H](F)CN3)CCCCC2)cc1 ZINC000426372501 231209637 /nfs/dbraw/zinc/20/96/37/231209637.db2.gz RTCLMGLZMTZIIL-HOTGVXAUSA-N 0 3 382.501 2.108 50 0 GEAAHN Oc1ccc(CN2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@H](O)C2)cc1 ZINC000019225775 210234263 /nfs/dbraw/zinc/23/42/63/210234263.db2.gz IVSFCIZFPQLCAV-FGZHOGPDSA-N 0 3 385.483 2.289 50 0 GEAAHN CC(C)=CCN1CCN(Cc2c(C)n(C)n(-c3ccccc3)c2=O)C[C@@H]1CCO ZINC000019226355 210232469 /nfs/dbraw/zinc/23/24/69/210232469.db2.gz WYUSGFQSHRDJFZ-NRFANRHFSA-N 0 3 398.551 2.319 50 0 GEAAHN O=C1N(Cc2ccc(F)cc2)CCC[C@]1(O)CN1CCN(C2CCCC2)CC1 ZINC000019217957 210231371 /nfs/dbraw/zinc/23/13/71/210231371.db2.gz KBLNRRZTUWUPEX-QFIPXVFZSA-N 0 3 389.515 2.239 50 0 GEAAHN O=C(COc1ccccc1)NCc1nnc2n1CCN(C[C@H]1CC=CCC1)CC2 ZINC000014987073 210140205 /nfs/dbraw/zinc/14/02/05/210140205.db2.gz LJYBGDLIWHQIIB-SFHVURJKSA-N 0 3 395.507 2.188 50 0 GEAAHN C/C(=C\c1ccccc1)CN1CCC[C@H](n2cc(C(=O)NCCCO)nn2)C1 ZINC000014972950 210136451 /nfs/dbraw/zinc/13/64/51/210136451.db2.gz ZSVVRFBKTZUWDW-UMEYKSNOSA-N 0 3 383.496 2.131 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)c2ccc[n+]([O-])c2)C1 ZINC000014969096 210136180 /nfs/dbraw/zinc/13/61/80/210136180.db2.gz MYAYOMUPUZYNKP-SFHVURJKSA-N 0 3 383.492 2.355 50 0 GEAAHN C/C=C(\C)CN1CCc2nnc([C@@H](C)NC(=O)COc3ccccc3)n2CC1 ZINC000014879017 210129660 /nfs/dbraw/zinc/12/96/60/210129660.db2.gz JUUDCXQXHXBDND-XOVDAKGOSA-N 0 3 383.496 2.359 50 0 GEAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1)C2 ZINC000014540667 210118672 /nfs/dbraw/zinc/11/86/72/210118672.db2.gz CZXBLIFQJGWZKK-MRXNPFEDSA-N 0 3 388.512 2.395 50 0 GEAAHN CCCCNC(=O)[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2ccc(O)cc2)C1 ZINC000014534211 210118806 /nfs/dbraw/zinc/11/88/06/210118806.db2.gz RLISOTOTJVZZFT-WOJBJXKFSA-N 0 3 389.540 2.079 50 0 GEAAHN CCN1CCC(NC(=O)CSc2nncn2CCc2cccs2)CC1 ZINC000012820330 210015090 /nfs/dbraw/zinc/01/50/90/210015090.db2.gz ZKLLQWZOHPDATJ-UHFFFAOYSA-N 0 3 379.555 2.275 50 0 GEAAHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCOc1ccccc1Cl ZINC000027373809 531622961 /nfs/dbraw/zinc/62/29/61/531622961.db2.gz RLRMUOVCZFRNNE-UHFFFAOYSA-N 0 3 384.885 2.377 50 0 GEAAHN CCS(=O)(=O)N1CCC(NCc2cc(Br)ccc2OC)CC1 ZINC000030668049 531639413 /nfs/dbraw/zinc/63/94/13/531639413.db2.gz CAQNGVITYJMQEV-UHFFFAOYSA-N 0 3 391.331 2.361 50 0 GEAAHN O=C(CCN(CCN1CCCCC1)C(=O)c1cnccn1)NCc1ccccc1 ZINC000004462154 209487632 /nfs/dbraw/zinc/48/76/32/209487632.db2.gz RVKTVHQUMAXWEG-UHFFFAOYSA-N 0 3 395.507 2.111 50 0 GEAAHN COc1ccc(N(C[C@@H](O)CN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001762219 209338580 /nfs/dbraw/zinc/33/85/80/209338580.db2.gz FNSLKEYVEDVHDH-KRWDZBQOSA-N 0 3 378.494 2.121 50 0 GEAAHN CCC(=O)Nc1cc(C(=O)NC[C@H]2CCCN2CC)c(OC)cc1N(C)C ZINC000001230734 209315761 /nfs/dbraw/zinc/31/57/61/209315761.db2.gz HFISOMDMTMMHBS-CQSZACIVSA-N 0 3 376.501 2.324 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)c2nc(N)nc3c2CCCC3)C1 ZINC000299788902 212038376 /nfs/dbraw/zinc/03/83/76/212038376.db2.gz VKMJEMAJCWVTAG-INIZCTEOSA-N 0 3 379.508 2.465 50 0 GEAAHN CNC(=O)[C@@H]1C[C@H](NCc2cccc(OC)c2)CN1C1Cc2ccccc2C1 ZINC000299784309 212036796 /nfs/dbraw/zinc/03/67/96/212036796.db2.gz JNCDTUJFLBBADS-UGKGYDQZSA-N 0 3 379.504 2.141 50 0 GEAAHN Cc1cc(C)n(-c2ccccc2CN2CC[C@@H](Nc3ncccn3)[C@H](O)C2)n1 ZINC000299755592 212030956 /nfs/dbraw/zinc/03/09/56/212030956.db2.gz ANNWBDQFAZQEEG-UYAOXDASSA-N 0 3 378.480 2.326 50 0 GEAAHN O=C(NC[C@@H](O)CN1CCCC1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000299756345 212031688 /nfs/dbraw/zinc/03/16/88/212031688.db2.gz HKMWKGNLQKUFMO-MRXNPFEDSA-N 0 3 377.876 2.163 50 0 GEAAHN O=C(c1ccccc1)N1CCC(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)CC1 ZINC000100196306 211383731 /nfs/dbraw/zinc/38/37/31/211383731.db2.gz ACRWBCMXQRVGFG-LJQANCHMSA-N 0 3 395.434 2.352 50 0 GEAAHN CCCOc1ccc(NC(=O)NCCN2CCC[C@@H](C(N)=O)C2)cc1Cl ZINC000097775734 211374472 /nfs/dbraw/zinc/37/44/72/211374472.db2.gz SJXJIJRSOBGWOL-CYBMUJFWSA-N 0 3 382.892 2.448 50 0 GEAAHN CCCOc1ccc(NC(=O)NCCN2CCC[C@H](C(N)=O)C2)cc1Cl ZINC000097775732 211374496 /nfs/dbraw/zinc/37/44/96/211374496.db2.gz SJXJIJRSOBGWOL-ZDUSSCGKSA-N 0 3 382.892 2.448 50 0 GEAAHN Cc1cc(CN2CCC3(CC2)CCN(Cc2c(C)n[nH]c2C)C[C@H]3CO)on1 ZINC000097784979 211374120 /nfs/dbraw/zinc/37/41/20/211374120.db2.gz MOYPDVPGMIPFJK-SFHVURJKSA-N 0 3 387.528 2.420 50 0 GEAAHN Cn1nc(C(F)(F)F)cc1C(=O)NCC1(N2CCN(C)CC2)CCCCC1 ZINC000097681695 211371116 /nfs/dbraw/zinc/37/11/16/211371116.db2.gz SPJPMSYBQVAENV-UHFFFAOYSA-N 0 3 387.450 2.119 50 0 GEAAHN OCCN1CCN(Cc2ccc3c(c2)CN(C[C@@H]2CC=CCC2)CCO3)CC1 ZINC000097696355 211371249 /nfs/dbraw/zinc/37/12/49/211371249.db2.gz FBRCVZGLSUESFD-HXUWFJFHSA-N 0 3 385.552 2.347 50 0 GEAAHN Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)NCCN2CCCCCC2)o1 ZINC000096379615 211337898 /nfs/dbraw/zinc/33/78/98/211337898.db2.gz SCJDDVOOYZMUFA-UHFFFAOYSA-N 0 3 381.502 2.144 50 0 GEAAHN Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCCN(C)C)C3)no2)cc1 ZINC000096210154 211320256 /nfs/dbraw/zinc/32/02/56/211320256.db2.gz HFFBWSKMHSVBGH-KRWDZBQOSA-N 0 3 384.480 2.180 50 0 GEAAHN Cn1c(Cn2cncn2)nnc1C1CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000096132475 211304205 /nfs/dbraw/zinc/30/42/05/211304205.db2.gz LAEKOBVQRIHXJW-NSCUHMNNSA-N 0 3 381.459 2.487 50 0 GEAAHN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000096006279 211293389 /nfs/dbraw/zinc/29/33/89/211293389.db2.gz CYIBRUYUDYPOFL-OAQYLSRUSA-N 0 3 396.487 2.323 50 0 GEAAHN CCCN1CCCN(C(=O)C(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 ZINC000095985750 211290537 /nfs/dbraw/zinc/29/05/37/211290537.db2.gz VFHZLUSOVJNFCD-UHFFFAOYSA-N 0 3 381.498 2.034 50 0 GEAAHN O=C(Nc1cccc2cccnc21)N1CCC(N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000095971806 211290546 /nfs/dbraw/zinc/29/05/46/211290546.db2.gz UEIIYRUSDFOJQF-MRXNPFEDSA-N 0 3 388.493 2.008 50 0 GEAAHN C[C@@H](NC1(CNC(=O)CNC(=O)c2ccoc2)CCOCC1)c1ccccc1 ZINC000095959275 211287104 /nfs/dbraw/zinc/28/71/04/211287104.db2.gz GXNKTKXIRVOENT-MRXNPFEDSA-N 0 3 385.464 2.026 50 0 GEAAHN CN(CC1CCN(CCc2cccc(F)c2)CC1)C(=O)Cn1ccccc1=O ZINC000095519331 211263973 /nfs/dbraw/zinc/26/39/73/211263973.db2.gz AOOJLWVBXKQMJF-UHFFFAOYSA-N 0 3 385.483 2.401 50 0 GEAAHN CN(CCCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524992 211269069 /nfs/dbraw/zinc/26/90/69/211269069.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 0 3 384.520 2.299 50 0 GEAAHN Cc1cnccc1CN(C)Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)cc1 ZINC000095520436 211268084 /nfs/dbraw/zinc/26/80/84/211268084.db2.gz CWSRHUXPPPOHSZ-QFIPXVFZSA-N 0 3 398.551 2.009 50 0 GEAAHN Cc1ccc(C(N)=O)cc1NC(=O)N1CCCC[C@H]1CCN1CCN(C)CC1 ZINC000095521078 211266739 /nfs/dbraw/zinc/26/67/39/211266739.db2.gz DFHKRGPAVMEWIL-SFHVURJKSA-N 0 3 387.528 2.118 50 0 GEAAHN COc1cccc(CN(C)CC2CCCC2)c1OC[C@H](O)CN1CCOCC1 ZINC000095506721 211257668 /nfs/dbraw/zinc/25/76/68/211257668.db2.gz MJLCPQPKIBVIKY-HXUWFJFHSA-N 0 3 392.540 2.389 50 0 GEAAHN Cc1cc(C(=O)NC[C@@H]2CCCN(CCn3c(=O)oc4ccccc43)C2)no1 ZINC000095502948 211255185 /nfs/dbraw/zinc/25/51/85/211255185.db2.gz AIYFJDRJMBKMSS-HNNXBMFYSA-N 0 3 384.436 2.033 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)C[C@@H](Cn1cnnn1)c1ccc(Cl)cc1 ZINC000095475493 211247274 /nfs/dbraw/zinc/24/72/74/211247274.db2.gz JQCVSIYBRLFSLU-DOTOQJQBSA-N 0 3 376.892 2.101 50 0 GEAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)CCc3nnc(C)[nH]3)C2)cc1 ZINC000095383379 211235718 /nfs/dbraw/zinc/23/57/18/211235718.db2.gz UAJUVPRRXTYFLN-ZWKOTPCHSA-N 0 3 383.496 2.177 50 0 GEAAHN O=C(CCN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccccn1)C2)NCc1cccs1 ZINC000095378312 211232787 /nfs/dbraw/zinc/23/27/87/211232787.db2.gz HYXYOFPYRRJBKR-IAGOWNOFSA-N 0 3 398.532 2.386 50 0 GEAAHN COc1ccc(F)c(F)c1CN1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000095375389 211230111 /nfs/dbraw/zinc/23/01/11/211230111.db2.gz SPUQIBDIPFCJCC-APWZRJJASA-N 0 3 397.510 2.184 50 0 GEAAHN OCc1csc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095367651 211228017 /nfs/dbraw/zinc/22/80/17/211228017.db2.gz XHRDKNRTPKPFHO-KFKAGJAMSA-N 0 3 385.489 2.431 50 0 GEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(Cc1nncn1C(C)C)C2 ZINC000095367952 211227318 /nfs/dbraw/zinc/22/73/18/211227318.db2.gz SQKRFLVFKOLQFM-SBHAEUEKSA-N 0 3 391.560 2.198 50 0 GEAAHN CCN1CCN(C2CCN(C(=O)[C@H](c3ccccc3F)N(C)C)CC2)CC1 ZINC000095362703 211226145 /nfs/dbraw/zinc/22/61/45/211226145.db2.gz VSSJAWIUQHNFQY-FQEVSTJZSA-N 0 3 376.520 2.057 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccnc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091655801 211200429 /nfs/dbraw/zinc/20/04/29/211200429.db2.gz XRVGWAYLYASVLD-GCJKJVERSA-N 0 3 396.535 2.085 50 0 GEAAHN Cc1ccccc1[C@H]1CCN(CCNC(=O)Cn2ncc3ccccc3c2=O)C1 ZINC000091829097 211207414 /nfs/dbraw/zinc/20/74/14/211207414.db2.gz OLMXXGOMVNDUMW-IBGZPJMESA-N 0 3 390.487 2.311 50 0 GEAAHN COC(=O)c1ccsc1N1CC[C@H](N2CCN(C3CCCC3)CC2)C1=O ZINC000078953626 211151809 /nfs/dbraw/zinc/15/18/09/211151809.db2.gz ZMIYFRVWLAGHDR-INIZCTEOSA-N 0 3 377.510 2.200 50 0 GEAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@@H]4C)[nH]c3=O)nc2s1 ZINC000077342538 211130828 /nfs/dbraw/zinc/13/08/28/211130828.db2.gz VQRPBJYVJZZFPI-LBPRGKRZSA-N 0 3 385.493 2.307 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccnc(-n4cnnc4)c3)C[C@H]2N(C)C)cc1 ZINC000077377256 211130003 /nfs/dbraw/zinc/13/00/03/211130003.db2.gz GLXGRXVADCRKGX-RBUKOAKNSA-N 0 3 376.464 2.141 50 0 GEAAHN C[C@@H]1CN(C2CCN(C(=O)COCc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 ZINC000072426475 211118345 /nfs/dbraw/zinc/11/83/45/211118345.db2.gz BYEXONJTUAGRND-IYBDPMFKSA-N 0 3 386.496 2.180 50 0 GEAAHN O=C(c1ccccc1OCc1ccccc1)N1CCO[C@@]2(C1)CNCCOC2 ZINC000072123994 211071583 /nfs/dbraw/zinc/07/15/83/211071583.db2.gz HPCOSRAJUJYMMS-JOCHJYFZSA-N 0 3 382.460 2.097 50 0 GEAAHN O=C(C1CC1)N1CCc2c(ncnc2N[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000071751214 211055300 /nfs/dbraw/zinc/05/53/00/211055300.db2.gz YJUMZLLCHCWUOM-GOSISDBHSA-N 0 3 377.492 2.458 50 0 GEAAHN Cc1nc(CNc2nc(-c3ccc(C(N)=O)cc3)nc3c2CCNC3)cs1 ZINC000071422422 211048858 /nfs/dbraw/zinc/04/88/58/211048858.db2.gz NMRLORIVMATHMX-UHFFFAOYSA-N 0 3 380.477 2.265 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)NCc3cnc4ccccn34)cnn2c1 ZINC000067964985 211030896 /nfs/dbraw/zinc/03/08/96/211030896.db2.gz WJLPJARLGRIRMS-UHFFFAOYSA-N 0 3 377.452 2.149 50 0 GEAAHN CC(C)c1ccc(CN2CCC[C@](O)(CNCCc3cnccn3)C2=O)cc1 ZINC000067834268 211023507 /nfs/dbraw/zinc/02/35/07/211023507.db2.gz GWZVVMJBBOWTCB-QFIPXVFZSA-N 0 3 382.508 2.286 50 0 GEAAHN Cc1n[nH]c(C)c1CCNC[C@]1(O)CCCN(CCC2CCCCC2)C1=O ZINC000067803997 211022725 /nfs/dbraw/zinc/02/27/25/211022725.db2.gz NQEGNMWDBSAQLH-OAQYLSRUSA-N 0 3 376.545 2.483 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCN[C@H](c4ccccc4)C3)cnn2c1 ZINC000067884892 211026683 /nfs/dbraw/zinc/02/66/83/211026683.db2.gz ZBPAUWOFNIUQRX-FQEVSTJZSA-N 0 3 392.507 2.358 50 0 GEAAHN O=C(c1cccc([O-])c1)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000067842753 211024940 /nfs/dbraw/zinc/02/49/40/211024940.db2.gz JOZNVQMDIHOXPT-GOSISDBHSA-N 0 3 385.508 2.331 50 0 GEAAHN O=C(c1cccc([O-])c1)N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000067842753 211024944 /nfs/dbraw/zinc/02/49/44/211024944.db2.gz JOZNVQMDIHOXPT-GOSISDBHSA-N 0 3 385.508 2.331 50 0 GEAAHN Cc1ncsc1CCNC[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000067847711 211024741 /nfs/dbraw/zinc/02/47/41/211024741.db2.gz ANLMQIDHOMAVRE-IBGZPJMESA-N 0 3 395.475 2.416 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)N3CC(N4CCCC[C@@H]4C)C3)cnn2c1 ZINC000067756926 211021443 /nfs/dbraw/zinc/02/14/43/211021443.db2.gz MEHNKNVVYNWUHG-INIZCTEOSA-N 0 3 384.528 2.270 50 0 GEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000067612743 211013177 /nfs/dbraw/zinc/01/31/77/211013177.db2.gz RSVPFZTWPLWGJZ-SFHVURJKSA-N 0 3 381.542 2.058 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]C1 ZINC000071397444 210745267 /nfs/dbraw/zinc/74/52/67/210745267.db2.gz HQPJDGKOROKUHC-SECBINFHSA-N 0 3 383.695 2.141 50 0 GEAAHN CCOC(=O)N1CCC(N2CCN(CCc3ccccc3)[C@@H](CCO)C2)CC1 ZINC000020537478 210345301 /nfs/dbraw/zinc/34/53/01/210345301.db2.gz GEVYKBMUBVGFRW-NRFANRHFSA-N 0 3 389.540 2.219 50 0 GEAAHN COCCC(=O)N[C@H](C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000019839076 210303313 /nfs/dbraw/zinc/30/33/13/210303313.db2.gz YTWMXWWSUJFQHB-QGZVFWFLSA-N 0 3 385.512 2.167 50 0 GEAAHN CCN1CCN(CCCNC(=O)[C@@H](NC(=O)C2CCC(C)CC2)C(C)C)CC1 ZINC000019900219 210306497 /nfs/dbraw/zinc/30/64/97/210306497.db2.gz LQRTXOPCPHGPJS-MHJFOBGBSA-N 0 3 394.604 2.097 50 0 GEAAHN COc1ccc(C(=O)NCc2c3c(c(OC)c4c2CCN(C)C4)OCO3)cc1 ZINC000008765205 221056863 /nfs/dbraw/zinc/05/68/63/221056863.db2.gz MVCMJWZPDHURRU-UHFFFAOYSA-N 0 3 384.432 2.350 50 0 GEAAHN COCCN1CCC[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000426515819 533343027 /nfs/dbraw/zinc/34/30/27/533343027.db2.gz ZAJQPWKJEMGBPL-KRWDZBQOSA-N 0 3 378.492 2.016 50 0 GEAAHN Cc1cccc(C(=O)Nc2cnc(N3CCNCC3)c(C(=O)N3CCCC3)c2)c1 ZINC000065025369 136158908 /nfs/dbraw/zinc/15/89/08/136158908.db2.gz AALSGDKISPXJNW-UHFFFAOYSA-N 0 3 393.491 2.288 50 0 GEAAHN CC[C@@]1(O)CCN(CCCN2CCN(c3cccc(Cl)c3)CC2)C[C@H]1O ZINC000072423214 136169867 /nfs/dbraw/zinc/16/98/67/136169867.db2.gz DBUVXBHKRFRSOI-WOJBJXKFSA-N 0 3 381.948 2.060 50 0 GEAAHN COc1cccc([C@H]2CN(C(=O)c3ccccc3N3CCOCC3)C[C@@H]2N)c1 ZINC000091849155 136177163 /nfs/dbraw/zinc/17/71/63/136177163.db2.gz LWSAGGUSGNOPAT-UXHICEINSA-N 0 3 381.476 2.099 50 0 GEAAHN Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1 ZINC000095480958 136179485 /nfs/dbraw/zinc/17/94/85/136179485.db2.gz CWOUPBKLIXLUEJ-UHFFFAOYSA-N 0 3 396.535 2.399 50 0 GEAAHN CCCNC(=O)c1ccc(NC(=O)N[C@H]2CN(C(C)C)C[C@@H]2OC)c(C)c1 ZINC000426430626 528450387 /nfs/dbraw/zinc/45/03/87/528450387.db2.gz FVSUGYPACFBZHK-ROUUACIJSA-N 0 3 376.501 2.364 50 0 GEAAHN c1[nH]nc(-c2ccc3c(c2)OCO3)c1CNCc1ccnc(N2CCOCC2)c1 ZINC000048711246 570253663 /nfs/dbraw/zinc/25/36/63/570253663.db2.gz FUBIKJONYHMVJZ-UHFFFAOYSA-N 0 3 393.447 2.327 50 0 GEAAHN Cc1cnc(CNC(=O)[C@H]2[C@@H]3CN(Cc4ccc5c(c4)C[C@H](C)O5)C[C@@H]32)cn1 ZINC000102720075 570291495 /nfs/dbraw/zinc/29/14/95/570291495.db2.gz FUXSIRHOKLLXCM-YNJGCUIUSA-N 0 3 378.476 2.103 50 0 GEAAHN CCCCc1ncc(CN2CCC[C@H](N3CCN(C(=O)OCC)CC3)C2)[nH]1 ZINC000022851355 570331320 /nfs/dbraw/zinc/33/13/20/570331320.db2.gz XFEHAYYPIZBUEU-SFHVURJKSA-N 0 3 377.533 2.491 50 0 GEAAHN COc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000237200393 570334438 /nfs/dbraw/zinc/33/44/38/570334438.db2.gz HJXKAUGPYRFLEO-SECBINFHSA-N 0 3 397.722 2.389 50 0 GEAAHN Cc1ccccc1-c1cc2n(n1)CCC(=O)N2CC(=O)NCCN1CCCCC1 ZINC000035374625 570345357 /nfs/dbraw/zinc/34/53/57/570345357.db2.gz ASOOXGATQQJCOV-UHFFFAOYSA-N 0 3 395.507 2.197 50 0 GEAAHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000003861134 570352513 /nfs/dbraw/zinc/35/25/13/570352513.db2.gz RRKTZKIUPZVBMF-CPHLOYQUSA-N 0 3 394.471 2.110 50 0 world GEAAHN NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000004593448 570386551 /nfs/dbraw/zinc/38/65/51/570386551.db2.gz CTOFUPWHCNPKLV-UHFFFAOYSA-N 0 3 378.904 2.084 50 0 GEAAHN O[C@H](CN1CCC(O)CC1)CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000005127275 570421986 /nfs/dbraw/zinc/42/19/86/570421986.db2.gz SCHHIRRGUHQLIR-FQEVSTJZSA-N 0 3 377.431 2.408 50 0 GEAAHN CC1(C)c2cc(S(=O)(=O)N3CC[C@H](CN4CCCCC4)C3)ccc2NC1=O ZINC000121910554 570445962 /nfs/dbraw/zinc/44/59/62/570445962.db2.gz XCAJXTVJVHJEHQ-OAHLLOKOSA-N 0 3 391.537 2.413 50 0 GEAAHN COCCN1CCC(NC(=O)N2CCN(c3ccccc3F)C[C@H]2C)CC1 ZINC000252479888 570474737 /nfs/dbraw/zinc/47/47/37/570474737.db2.gz BORUZRFIYCXSQM-MRXNPFEDSA-N 0 3 378.492 2.157 50 0 GEAAHN CN(C)CCNC(=O)Cn1cnc2cc(NC(=O)CCc3ccccc3)ccc21 ZINC000061719285 570502135 /nfs/dbraw/zinc/50/21/35/570502135.db2.gz XSCDEGDQFSRBHU-UHFFFAOYSA-N 0 3 393.491 2.285 50 0 GEAAHN Cc1ccc(C)c(-c2cc(C(=O)N[C@H](C(=O)NCCN(C)C)C(C)C)no2)c1 ZINC000036016250 570511245 /nfs/dbraw/zinc/51/12/45/570511245.db2.gz KCGVWFFTQZUNGU-IBGZPJMESA-N 0 3 386.496 2.391 50 0 GEAAHN CCOc1ccc(-c2cc(C(=O)NC[C@H](C)N3CCN(CC)CC3)no2)cc1 ZINC000032594046 570512054 /nfs/dbraw/zinc/51/20/54/570512054.db2.gz DULOJSIYGHVJFM-INIZCTEOSA-N 0 3 386.496 2.496 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776014 570543125 /nfs/dbraw/zinc/54/31/25/570543125.db2.gz KQICRLZLPFESGQ-HUUCEWRRSA-N 0 3 381.480 2.050 50 0 GEAAHN CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cn(CCN2CCCCC2)nn1 ZINC000011843414 570587759 /nfs/dbraw/zinc/58/77/59/570587759.db2.gz QQUXBJRAMSJFFQ-UHFFFAOYSA-N 0 3 395.467 2.086 50 0 GEAAHN Cc1ccc2occ(CN3CCN(C4CCN(C)CC4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039357916 570589417 /nfs/dbraw/zinc/58/94/17/570589417.db2.gz HTUFORPEQYNONT-HXUWFJFHSA-N 0 3 399.535 2.064 50 0 GEAAHN CN1CCC(N2CCC[C@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208095 570626679 /nfs/dbraw/zinc/62/66/79/570626679.db2.gz ONRUQDWDCVZYQL-SFHVURJKSA-N 0 3 375.488 2.463 50 0 GEAAHN CN(C)S(=O)(=O)CCCN1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000243892841 570691761 /nfs/dbraw/zinc/69/17/61/570691761.db2.gz ALVQUYHTEYAIOA-MRXNPFEDSA-N 0 3 378.498 2.198 50 0 GEAAHN Cc1nn2cnnc2c(C)c1CCC(=O)NCCCN(C)Cc1ccccc1 ZINC000006917630 570703604 /nfs/dbraw/zinc/70/36/04/570703604.db2.gz SVJQOUHAHVVOPP-UHFFFAOYSA-N 0 3 380.496 2.312 50 0 GEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)CCN2CCCO2)CC1 ZINC000012713670 570703787 /nfs/dbraw/zinc/70/37/87/570703787.db2.gz WLPSIDLNQFPFCV-UHFFFAOYSA-N 0 3 389.540 2.436 50 0 GEAAHN NC(=O)c1ccc(S(=O)(=O)NCC2(N3CCCCC3)CCCCC2)cc1 ZINC000058171202 570715251 /nfs/dbraw/zinc/71/52/51/570715251.db2.gz HAUFBFWEIWLOSE-UHFFFAOYSA-N 0 3 379.526 2.253 50 0 GEAAHN CCCCNC(=O)Cn1c(CC)nc2c(c1=O)CN(Cc1ccccc1)CC2 ZINC000065153496 570716814 /nfs/dbraw/zinc/71/68/14/570716814.db2.gz YQHCSDTZIJSNPT-UHFFFAOYSA-N 0 3 382.508 2.280 50 0 GEAAHN NC(=O)c1ccc(S(=O)(=O)NC2CCN(CC3CCCCC3)CC2)cc1 ZINC000058203287 570719544 /nfs/dbraw/zinc/71/95/44/570719544.db2.gz HMTIFUNDBPROOI-UHFFFAOYSA-N 0 3 379.526 2.109 50 0 GEAAHN CN(C)CCNC(=O)c1cccc(CNC(=O)Nc2ccc3c(c2)OCO3)c1 ZINC000060375510 570741008 /nfs/dbraw/zinc/74/10/08/570741008.db2.gz YVACDZXYJSQYML-UHFFFAOYSA-N 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/nfs/dbraw/zinc/83/57/30/570835730.db2.gz JEZQZLQKPBTZNU-MRXNPFEDSA-N 0 3 397.475 2.364 50 0 GEAAHN CC[C@@H](CNC(=O)COc1ccc(CC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000065584023 570836948 /nfs/dbraw/zinc/83/69/48/570836948.db2.gz NOFHGJLFWVNSAH-FQEVSTJZSA-N 0 3 395.503 2.046 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1 ZINC000012564970 570869897 /nfs/dbraw/zinc/86/98/97/570869897.db2.gz DRGPFXKKAWIFQS-UHFFFAOYSA-N 0 3 391.479 2.121 50 0 GEAAHN COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(Cc3ccco3)CC2)cc1 ZINC000023127490 570912325 /nfs/dbraw/zinc/91/23/25/570912325.db2.gz WBZVCMBAGLDWNN-UHFFFAOYSA-N 0 3 399.447 2.033 50 0 GEAAHN C[C@@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)[C@H]2CCS(=O)(=O)C2)C1 ZINC000252452310 570958321 /nfs/dbraw/zinc/95/83/21/570958321.db2.gz BJRODCVOCYYIBG-FCEWJHQRSA-N 0 3 378.538 2.215 50 0 GEAAHN CC[C@@H](C)[C@@H](C(=O)NCCCCN1CCN(CCO)CC1)c1ccccc1 ZINC000084721612 571033404 /nfs/dbraw/zinc/03/34/04/571033404.db2.gz VKCQPJVBMYPIDZ-TZIWHRDSSA-N 0 3 375.557 2.323 50 0 GEAAHN Cc1ccccc1[C@@H]1CCN(CCNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000426545091 231238103 /nfs/dbraw/zinc/23/81/03/231238103.db2.gz OKNYMSUBABNQST-LJQANCHMSA-N 0 3 394.523 2.106 50 0 GEAAHN CN1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-c3cncc(C(N)=O)c3)c1)C2 ZINC000426511723 529801253 /nfs/dbraw/zinc/80/12/53/529801253.db2.gz QNQJAMCPGNFFOD-JOCHJYFZSA-N 0 3 378.476 2.405 50 0 GEAAHN CCCS(=O)(=O)NC1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000030135408 531632939 /nfs/dbraw/zinc/63/29/39/531632939.db2.gz ATBYVUQDOZBTFT-UHFFFAOYSA-N 0 3 387.933 2.462 50 0 GEAAHN CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244197 531650778 /nfs/dbraw/zinc/65/07/78/531650778.db2.gz MJNMTFBGBHNCSY-INIZCTEOSA-N 0 3 389.587 2.286 50 0 GEAAHN COC(=O)c1cn(C[C@H](c2ccccc2F)N2CCCC2)cc2c(=O)[nH]nc1-2 ZINC000263588737 212141734 /nfs/dbraw/zinc/14/17/34/212141734.db2.gz XWHXYBVOOTVSGW-QGZVFWFLSA-N 0 3 384.411 2.439 50 0 GEAAHN COc1ccnc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095384526 533068823 /nfs/dbraw/zinc/06/88/23/533068823.db2.gz UGMUSDICSBSJLJ-CWFSZBLJSA-N 0 3 380.448 2.281 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)CCNC(=O)c1ccc(Br)cc1 ZINC000007960809 221017753 /nfs/dbraw/zinc/01/77/53/221017753.db2.gz VJOAEPVBKNXOFK-OAHLLOKOSA-N 0 3 382.302 2.170 50 0 GEAAHN O=C(CCc1nc2ccccc2c(=O)[nH]1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000007987301 221020547 /nfs/dbraw/zinc/02/05/47/221020547.db2.gz LMATWBZKJSWUQX-QGZVFWFLSA-N 0 3 376.460 2.246 50 0 GEAAHN COc1cc(CNC(C)(C)CO)ccc1OCc1ccc2c(c1)n(C)c(=O)n2C ZINC000009420670 221080417 /nfs/dbraw/zinc/08/04/17/221080417.db2.gz CIWYIRNMEGHWKT-UHFFFAOYSA-N 0 3 399.491 2.325 50 0 GEAAHN CN(CCO)C(=O)c1cn([C@H]2CCCN(Cc3ccc4ccccc4c3)C2)nn1 ZINC000012048564 221145574 /nfs/dbraw/zinc/14/55/74/221145574.db2.gz XBHQRBDOZFVDRF-FQEVSTJZSA-N 0 3 393.491 2.333 50 0 GEAAHN CC(C)/C=C/CN1CCc2nnc([C@H](NC(=O)[C@@H]3CCOC3)C(C)C)n2CC1 ZINC000012098426 221151148 /nfs/dbraw/zinc/15/11/48/221151148.db2.gz DKAIPGSUNOHTEA-IBMJZYDUSA-N 0 3 389.544 2.198 50 0 GEAAHN CCN(CC)C(=O)c1cn(C[C@@H]2CCCN(Cc3ccc(COC)o3)C2)nn1 ZINC000012280008 221175098 /nfs/dbraw/zinc/17/50/98/221175098.db2.gz VKRZQEUDZRRXSZ-MRXNPFEDSA-N 0 3 389.500 2.412 50 0 GEAAHN COc1cccc(OC[C@@H](O)CN2C(=O)CC[C@@H]2CCNCc2cccnc2)c1 ZINC000012247118 221173448 /nfs/dbraw/zinc/17/34/48/221173448.db2.gz QAGPLGZEBFJVSS-MOPGFXCFSA-N 0 3 399.491 2.001 50 0 GEAAHN CCc1ccc(CN(C)CCn2cc(C(=O)NCc3ccncc3)nn2)cc1 ZINC000012247539 221173807 /nfs/dbraw/zinc/17/38/07/221173807.db2.gz JZQJJQRZUIWJCP-UHFFFAOYSA-N 0 3 378.480 2.298 50 0 GEAAHN CCSc1ncc(CN2CC[C@@H](N(C)CCc3ccccn3)[C@H](O)C2)cn1 ZINC000012439913 221195585 /nfs/dbraw/zinc/19/55/85/221195585.db2.gz ASASYVCXPBBXEN-RTBURBONSA-N 0 3 387.553 2.093 50 0 GEAAHN O[C@@H]1CN(Cc2ccc(CN3CCCCC3)s2)CC[C@H]1N1CCOCC1 ZINC000012744926 221223503 /nfs/dbraw/zinc/22/35/03/221223503.db2.gz DKLZRGVCKFWQCA-WOJBJXKFSA-N 0 3 379.570 2.001 50 0 GEAAHN COc1cc(CNCc2ccsc2)ccc1OC[C@H](O)CN1CCOCC1 ZINC000012587151 221211652 /nfs/dbraw/zinc/21/16/52/221211652.db2.gz ZCBODNKRSUVDJN-GOSISDBHSA-N 0 3 392.521 2.118 50 0 GEAAHN CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](NCc1ccccc1F)C2 ZINC000014744800 221315370 /nfs/dbraw/zinc/31/53/70/221315370.db2.gz NASXRYCEZBNLSQ-INIZCTEOSA-N 0 3 386.471 2.162 50 0 GEAAHN O=C([C@@H]1C[C@H](n2cnnn2)CN1CCCc1ccccc1)N1CCCCCC1 ZINC000014957726 221320709 /nfs/dbraw/zinc/32/07/09/221320709.db2.gz JUPCTJGKTNSLNY-PMACEKPBSA-N 0 3 382.512 2.324 50 0 GEAAHN CN(C)[C@@H]1CCN(C(=O)c2cccc(OC3CCN(C(=O)C4CC4)CC3)c2)C1 ZINC000015070284 221329043 /nfs/dbraw/zinc/32/90/43/221329043.db2.gz XAEYLPCOWSBARU-GOSISDBHSA-N 0 3 385.508 2.243 50 0 GEAAHN COc1ccc(-c2noc(N3CCC(C(=O)NCCN4CCCC4)CC3)n2)cc1 ZINC000015674913 221339098 /nfs/dbraw/zinc/33/90/98/221339098.db2.gz SVBBXPGPLHKFIP-UHFFFAOYSA-N 0 3 399.495 2.174 50 0 GEAAHN COc1cccc(CN2CCC[C@]3(CCN(c4cncc(C(N)=O)n4)C3)C2)c1 ZINC000426619989 533480330 /nfs/dbraw/zinc/48/03/30/533480330.db2.gz GZVDTRSZAJSUAO-NRFANRHFSA-N 0 3 381.480 2.077 50 0 GEAAHN CC(=O)N1CCC[C@H]1C(=O)NCCCCN1CCN(c2cccc(C)c2)CC1 ZINC000040089589 132394637 /nfs/dbraw/zinc/39/46/37/132394637.db2.gz MHYGJDYYRXGTOK-NRFANRHFSA-N 0 3 386.540 2.024 50 0 GEAAHN Cc1ccc2c(c1)CCCN2C(=O)CNCCc1nc(-c2cccnc2)n[nH]1 ZINC000065489356 136164006 /nfs/dbraw/zinc/16/40/06/136164006.db2.gz CLDXNSMLJXEVCJ-UHFFFAOYSA-N 0 3 376.464 2.287 50 0 GEAAHN Cc1ccc2c(c1)CCCN2C(=O)C[NH2+]CCc1nnc(-c2cccnc2)[n-]1 ZINC000065489356 136164007 /nfs/dbraw/zinc/16/40/07/136164007.db2.gz CLDXNSMLJXEVCJ-UHFFFAOYSA-N 0 3 376.464 2.287 50 0 GEAAHN O=C(CN1CCC2(CC1)c1ccccc1C[C@H]2O)N1CCOc2ccccc21 ZINC000072150091 136167159 /nfs/dbraw/zinc/16/71/59/136167159.db2.gz CVDFGBDXIJILOZ-OAQYLSRUSA-N 0 3 378.472 2.363 50 0 GEAAHN NC1(C(=O)N2CCC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)CC1 ZINC000072168794 136167459 /nfs/dbraw/zinc/16/74/59/136167459.db2.gz WPJGFYPXROMPDG-QGZVFWFLSA-N 0 3 396.457 2.310 50 0 GEAAHN Cc1ccc(N2CCC(N3CCN[C@H](C(=O)NC4CC4)C3)CC2)cc1Cl ZINC000072170531 136167586 /nfs/dbraw/zinc/16/75/86/136167586.db2.gz DFBZPXWJZZYVGQ-IBGZPJMESA-N 0 3 376.932 2.170 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 ZINC000082230394 136174636 /nfs/dbraw/zinc/17/46/36/136174636.db2.gz TVWSPZXUBFGBMD-UHFFFAOYSA-N 0 3 378.480 2.224 50 0 GEAAHN CSc1nccc(N2CCC3(CCC(=O)N([C@@H]4CCN(C)C4)C3)CC2)n1 ZINC000091526158 136176491 /nfs/dbraw/zinc/17/64/91/136176491.db2.gz FVZZAFWNUUSBST-OAHLLOKOSA-N 0 3 375.542 2.112 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095477174 136179559 /nfs/dbraw/zinc/17/95/59/136179559.db2.gz KXTWGSVDXOVHBN-HNNXBMFYSA-N 0 3 399.944 2.484 50 0 GEAAHN CC(C)n1c(=O)[nH]c2cc(C(=O)NCCN(C)Cc3ccccc3)ccc2c1=O ZINC000054265331 222013755 /nfs/dbraw/zinc/01/37/55/222013755.db2.gz RFVJVKOBBQNOKQ-UHFFFAOYSA-N 0 3 394.475 2.133 50 0 GEAAHN C[C@H](CN1CCCC1=O)NC(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000058404461 222052940 /nfs/dbraw/zinc/05/29/40/222052940.db2.gz QVAMDXYQPJOXOX-OAHLLOKOSA-N 0 3 391.491 2.100 50 0 GEAAHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348591 222059617 /nfs/dbraw/zinc/05/96/17/222059617.db2.gz AWMYCHKPJWXFCV-INIZCTEOSA-N 0 3 375.485 2.001 50 0 GEAAHN NCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2Cl)CC1 ZINC000067446531 222146837 /nfs/dbraw/zinc/14/68/37/222146837.db2.gz UKBBWQUILRRANN-UHFFFAOYSA-N 0 3 376.848 2.303 50 0 GEAAHN Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)nc(C)n3)CC2)c(C)c1 ZINC000067629511 222152022 /nfs/dbraw/zinc/15/20/22/222152022.db2.gz DQTUALZLXWQAFV-UHFFFAOYSA-N 0 3 395.507 2.201 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)nc(C)n1 ZINC000067623020 222152091 /nfs/dbraw/zinc/15/20/91/222152091.db2.gz KJZLIDMDJGBODA-UHFFFAOYSA-N 0 3 375.498 2.036 50 0 GEAAHN CC[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000067621156 222152558 /nfs/dbraw/zinc/15/25/58/222152558.db2.gz DCDXPVMRFBCXAM-INIZCTEOSA-N 0 3 387.933 2.095 50 0 GEAAHN O=C1N(CCC2CCCCC2)CCC[C@]1(O)CNCCn1cc(Cl)cn1 ZINC000067788992 222159744 /nfs/dbraw/zinc/15/97/44/222159744.db2.gz MHGJCMXUUQCACE-IBGZPJMESA-N 0 3 382.936 2.450 50 0 GEAAHN Cc1nnc(CCNC[C@]2(O)CCCN(CCC3CCCCC3)C2=O)s1 ZINC000067833324 222160572 /nfs/dbraw/zinc/16/05/72/222160572.db2.gz IXHZPNLOIJUAGH-LJQANCHMSA-N 0 3 380.558 2.303 50 0 GEAAHN O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000069419846 222172788 /nfs/dbraw/zinc/17/27/88/222172788.db2.gz SSVLVYPAECDWKJ-LJQANCHMSA-N 0 3 376.464 2.191 50 0 GEAAHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000069979728 222175707 /nfs/dbraw/zinc/17/57/07/222175707.db2.gz ATONXPXBZFZBNB-AQNXPRMDSA-N 0 3 397.519 2.333 50 0 GEAAHN CC(C)C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccnc2)C1)N1CCOCC1 ZINC000070009131 222175994 /nfs/dbraw/zinc/17/59/94/222175994.db2.gz LFALGAOBICEHMR-NHCUHLMSSA-N 0 3 388.556 2.157 50 0 GEAAHN CCN1CCC[C@H]1C(=O)NCc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071745970 222188417 /nfs/dbraw/zinc/18/84/17/222188417.db2.gz HZWTVZQIVBLCGE-SFHVURJKSA-N 0 3 386.496 2.089 50 0 GEAAHN c1ccc2c(c1)OC[C@@H](CNc1nc(-c3cccnc3)nc3c1CCNC3)O2 ZINC000072129655 222208828 /nfs/dbraw/zinc/20/88/28/222208828.db2.gz CMYWNTOIQAFOTG-OAHLLOKOSA-N 0 3 375.432 2.436 50 0 GEAAHN Cc1c(C(=O)N[C@@H]2CCCN(C3Cc4ccccc4C3)C2)cnc2ccnn21 ZINC000072426513 222258695 /nfs/dbraw/zinc/25/86/95/222258695.db2.gz OGZDWXZRFUNKGY-GOSISDBHSA-N 0 3 375.476 2.399 50 0 GEAAHN CCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)CN3CCCCC3)c2)CC1 ZINC000095516726 222344969 /nfs/dbraw/zinc/34/49/69/222344969.db2.gz NZYWOFUZYRWLIY-FQEVSTJZSA-N 0 3 391.556 2.058 50 0 GEAAHN COc1ccc(CN2CCCC2(C)C)c(OC[C@@H](O)CN2CCN(C)CC2)c1 ZINC000095498751 222331390 /nfs/dbraw/zinc/33/13/90/222331390.db2.gz JPCYGAMKHRYOSA-IBGZPJMESA-N 0 3 391.556 2.057 50 0 GEAAHN CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)[C@@H]1NCCc2nc[nH]c21 ZINC000095498345 222332424 /nfs/dbraw/zinc/33/24/24/222332424.db2.gz VJLIHHKLXGTCJX-OAQYLSRUSA-N 0 3 399.514 2.149 50 0 GEAAHN COc1ccc(CN(C)CC(C)(C)C)c(OC[C@H](O)CN2CCN(C)CC2)c1 ZINC000095499475 222334842 /nfs/dbraw/zinc/33/48/42/222334842.db2.gz JVOIGOKLEWRWBA-LJQANCHMSA-N 0 3 393.572 2.160 50 0 GEAAHN CCN(CC)S(=O)(=O)N(C)C[C@@H]1CCCN(CCc2ccccc2OC)C1 ZINC000095503927 222335337 /nfs/dbraw/zinc/33/53/37/222335337.db2.gz JNIOLSOBYYZHOG-SFHVURJKSA-N 0 3 397.585 2.468 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc4cccnc4c3)C[C@H]2CCCO)CC1 ZINC000095507240 222339063 /nfs/dbraw/zinc/33/90/63/222339063.db2.gz NLRSCLIXWJLYQA-IRLDBZIGSA-N 0 3 396.535 2.085 50 0 GEAAHN Cn1c(CN2CCC(O)CC2)nnc1C1CCN(Cc2ccsc2)CC1 ZINC000077437531 222280986 /nfs/dbraw/zinc/28/09/86/222280986.db2.gz UAFFLRKCPCDFJB-UHFFFAOYSA-N 0 3 375.542 2.213 50 0 GEAAHN COc1cccc([C@H]2CN(C(=O)CCn3cccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095520882 222345575 /nfs/dbraw/zinc/34/55/75/222345575.db2.gz OIYNSWYBCZGLHW-CEMLEFRQSA-N 0 3 380.492 2.371 50 0 GEAAHN CCn1c(C)ccc(C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)c1=O ZINC000082098261 222308710 /nfs/dbraw/zinc/30/87/10/222308710.db2.gz CPODDFSJKUXXEA-UHFFFAOYSA-N 0 3 379.504 2.492 50 0 GEAAHN Cc1cc(C)n(Cc2ccc(C(=O)NCc3cc4n(n3)CCCNC4)cc2)n1 ZINC000082092588 222309364 /nfs/dbraw/zinc/30/93/64/222309364.db2.gz 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570227966 /nfs/dbraw/zinc/22/79/66/570227966.db2.gz QVBKYYULQTYQHG-UHFFFAOYSA-N 0 3 377.529 2.314 50 0 GEAAHN COc1ccc([C@H](O)CNCc2c(C(C)C)nn(C)c2N2CCOCC2)cc1 ZINC000237368279 570242501 /nfs/dbraw/zinc/24/25/01/570242501.db2.gz YHUFBYVXJHFDGV-LJQANCHMSA-N 0 3 388.512 2.212 50 0 GEAAHN OCCOc1cccc(CN2CCN(CCc3ccccc3)[C@@H](CCO)C2)c1 ZINC000020203414 570247451 /nfs/dbraw/zinc/24/74/51/570247451.db2.gz JUUOPUZTLFSGPL-QFIPXVFZSA-N 0 3 384.520 2.169 50 0 GEAAHN Cc1ccccc1-n1cc(CN2CCN(C)[C@]3(C2)CCC(=O)N(C)CC3)cn1 ZINC000107403660 570261289 /nfs/dbraw/zinc/26/12/89/570261289.db2.gz CNUZKAMXHCBHPA-JOCHJYFZSA-N 0 3 381.524 2.309 50 0 GEAAHN COc1ccc(OC)c([C@H](C)NC(=O)C(C)S(=O)(=O)Cc2cc(C)on2)c1 ZINC000046155258 570269413 /nfs/dbraw/zinc/26/94/13/570269413.db2.gz LFBPJRNXFWVVFU-STQMWFEESA-N 0 3 396.465 2.181 50 0 GEAAHN O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N1CCN(C2CCCC2)CC1 ZINC000020598767 570269549 /nfs/dbraw/zinc/26/95/49/570269549.db2.gz NITATPCWCSBGBM-UHFFFAOYSA-N 0 3 398.463 2.485 50 0 GEAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1cccc(C)c1)CC2 ZINC000020994867 570286464 /nfs/dbraw/zinc/28/64/64/570286464.db2.gz UOEMGMILBUSSKA-IBGZPJMESA-N 0 3 399.539 2.495 50 0 GEAAHN COCCn1nnnc1C1(NCCc2c[nH]c3ccccc23)CCSCC1 ZINC000575443540 570314454 /nfs/dbraw/zinc/31/44/54/570314454.db2.gz BVGBAZFIIQSZHD-UHFFFAOYSA-N 0 3 386.525 2.355 50 0 GEAAHN Cc1ccc(F)cc1S(=O)(=O)N1CCC(Cn2cc(C(C)(C)N)nn2)CC1 ZINC000023478211 570324742 /nfs/dbraw/zinc/32/47/42/570324742.db2.gz FGIUHDYDTBEPFO-UHFFFAOYSA-N 0 3 395.504 2.020 50 0 GEAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3ccc(F)cc3)nc1=O)CCC2 ZINC000004851674 570347153 /nfs/dbraw/zinc/34/71/53/570347153.db2.gz KTIIXQRRNRKBDB-UHFFFAOYSA-N 0 3 390.484 2.164 50 0 GEAAHN CN(C)CCn1c2c(c(SCC(=O)Nc3cccc(F)c3)nc1=O)CCC2 ZINC000004851704 570347279 /nfs/dbraw/zinc/34/72/79/570347279.db2.gz MMWKFGCGGVAGOW-UHFFFAOYSA-N 0 3 390.484 2.164 50 0 GEAAHN Cc1cccc(NC(=O)CSc2nc(=O)n(CCN(C)C)c3c2CCC3)c1 ZINC000004851684 570347289 /nfs/dbraw/zinc/34/72/89/570347289.db2.gz 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ZINC000239527640 570430137 /nfs/dbraw/zinc/43/01/37/570430137.db2.gz ATONXPXBZFZBNB-XUVXKRRUSA-N 0 3 397.519 2.333 50 0 GEAAHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000242001134 570432247 /nfs/dbraw/zinc/43/22/47/570432247.db2.gz VDDFYRUAOSYGIE-BRSBDYLESA-N 0 3 379.545 2.124 50 0 GEAAHN CC[C@H](CNC(=O)c1ccc(CNC(N)=O)cc1)N1CCc2ccccc2C1 ZINC000029908920 570482516 /nfs/dbraw/zinc/48/25/16/570482516.db2.gz FAPYGUTVZUYDBG-HXUWFJFHSA-N 0 3 380.492 2.422 50 0 GEAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 ZINC000006719663 570489709 /nfs/dbraw/zinc/48/97/09/570489709.db2.gz QKRPXDDWEYEHBP-KRWDZBQOSA-N 0 3 377.400 2.361 50 0 GEAAHN Cc1ccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)NCCN(C)C)cc1C ZINC000006725073 570490388 /nfs/dbraw/zinc/49/03/88/570490388.db2.gz PKCYVTNMTJKFLV-NRFANRHFSA-N 0 3 382.464 2.178 50 0 GEAAHN O[C@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)CN1CCOCC1 ZINC000006651182 570520080 /nfs/dbraw/zinc/52/00/80/570520080.db2.gz PZOKINNSFLCKCV-LJQANCHMSA-N 0 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/nfs/dbraw/zinc/71/99/46/570719946.db2.gz MPGQLSBYNACEIY-SFHVURJKSA-N 0 3 383.540 2.338 50 0 GEAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCCN1CCC[C@@H](C)C1 ZINC000006998658 570731673 /nfs/dbraw/zinc/73/16/73/570731673.db2.gz FYYLXASOZBTWFB-CYBMUJFWSA-N 0 3 385.530 2.209 50 0 GEAAHN OCCN(C[C@H](O)COC1CCCCC1)C[C@H](O)Cn1ccc2ccccc21 ZINC000036602826 570747206 /nfs/dbraw/zinc/74/72/06/570747206.db2.gz JJDIHYSYWJSWQK-PMACEKPBSA-N 0 3 390.524 2.007 50 0 GEAAHN O=C(NCCN1CCCCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256028 570754764 /nfs/dbraw/zinc/75/47/64/570754764.db2.gz UMCTYHHCEZVCCU-OAQYLSRUSA-N 0 3 393.535 2.448 50 0 GEAAHN CC(C)[C@@H]1CN(C(=O)CN2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000072143440 570870351 /nfs/dbraw/zinc/87/03/51/570870351.db2.gz ALDIBLJGGUIALR-FQEVSTJZSA-N 0 3 377.504 2.217 50 0 GEAAHN COc1c[nH]c(C(=O)N(C)[C@H]2CCCN(C3Cc4ccccc4C3)C2)cc1=O ZINC000072146169 570871560 /nfs/dbraw/zinc/87/15/60/570871560.db2.gz BJCXXIFFKVBNOA-KRWDZBQOSA-N 0 3 381.476 2.500 50 0 GEAAHN CCN1CCN(C(=O)c2ccc(N3CCC(NCc4ccon4)CC3)cc2)CC1 ZINC000299766867 570893320 /nfs/dbraw/zinc/89/33/20/570893320.db2.gz TXDZUUZUEMVDKO-UHFFFAOYSA-N 0 3 397.523 2.211 50 0 GEAAHN CCCNS(=O)(=O)c1ccc(NC(=O)N2[C@@H]3CC[C@H]2CN(C)CC3)cc1 ZINC000299768546 570893535 /nfs/dbraw/zinc/89/35/35/570893535.db2.gz XYUZLVLEDQRZGB-CVEARBPZSA-N 0 3 380.514 2.075 50 0 GEAAHN CCN1CCN(C(C)(C)CNC(=O)N(C)Cc2noc3c2CCCC3)CC1 ZINC000534634844 570911405 /nfs/dbraw/zinc/91/14/05/570911405.db2.gz OJKMXGZTNKVOJD-UHFFFAOYSA-N 0 3 377.533 2.111 50 0 GEAAHN CO[C@]12CCN(Cc3cccnc3N)[C@H]1C[C@H](NC(=O)CCSC)CC2 ZINC000534655278 570915525 /nfs/dbraw/zinc/91/55/25/570915525.db2.gz USWHKVJHMFXWFT-JTDSTZFVSA-N 0 3 378.542 2.045 50 0 GEAAHN COCCCN(CCC(=O)NCCN1CCCCC1)C(=O)c1cc(C)oc1C ZINC000004752279 570963810 /nfs/dbraw/zinc/96/38/10/570963810.db2.gz BFVKMHISEKDHBH-UHFFFAOYSA-N 0 3 393.528 2.367 50 0 GEAAHN Cc1cccn2c(CNCCc3cnn(C)c3)c(C(=O)N3CCCCC3)nc12 ZINC000019336195 570975994 /nfs/dbraw/zinc/97/59/94/570975994.db2.gz KJANBMWQBAEDJX-UHFFFAOYSA-N 0 3 380.496 2.335 50 0 GEAAHN CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN(C)CCCC)ccc2c1=O ZINC000004791312 570993202 /nfs/dbraw/zinc/99/32/02/570993202.db2.gz MHVJKQLONBHTFY-UHFFFAOYSA-N 0 3 388.512 2.342 50 0 GEAAHN C[C@H](CCN1CCCn2nc(CNS(C)(=O)=O)cc2C1)c1ccccc1 ZINC000091433860 571007745 /nfs/dbraw/zinc/00/77/45/571007745.db2.gz JRLSFCGALUVGTR-MRXNPFEDSA-N 0 3 376.526 2.332 50 0 GEAAHN COc1ccc(CN2CCC3(CCC(=O)N(CCN(C)C)C3)CC2)cc1O ZINC000091535719 571013329 /nfs/dbraw/zinc/01/33/29/571013329.db2.gz VNABRTLVYTZTPJ-UHFFFAOYSA-N 0 3 375.513 2.167 50 0 GEAAHN Cc1ccc2[nH]c(CN3CC[C@@](O)(CN4CCOCC4)C(C)(C)C3)nc2c1C ZINC000091548156 571013836 /nfs/dbraw/zinc/01/38/36/571013836.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 0 3 386.540 2.475 50 0 GEAAHN Cc1ccc2nc(CN3CC[C@@](O)(CN4CCOCC4)C(C)(C)C3)[nH]c2c1C ZINC000091548156 571013837 /nfs/dbraw/zinc/01/38/37/571013837.db2.gz HGYIHMSXQXAMPZ-JOCHJYFZSA-N 0 3 386.540 2.475 50 0 GEAAHN CN1CCc2nc[nH]c2C12CCN(Cc1cnc(-c3ccccn3)nc1)CC2 ZINC000091643338 571021023 /nfs/dbraw/zinc/02/10/23/571021023.db2.gz CJPGWTYUHSSIBB-UHFFFAOYSA-N 0 3 375.480 2.241 50 0 GEAAHN CCN1CCN(C[C@@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091644756 571021429 /nfs/dbraw/zinc/02/14/29/571021429.db2.gz SARYMJXREYMZQX-QZTJIDSGSA-N 0 3 385.474 2.383 50 0 GEAAHN CCc1c(C)scc1C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](CCCO)C1 ZINC000091894315 571035009 /nfs/dbraw/zinc/03/50/09/571035009.db2.gz RFOLRLUEOUUXFF-XLIONFOSSA-N 0 3 393.597 2.470 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3cnc4ccccc4c3)C[C@H]2CCCO)CC1 ZINC000091966588 571038440 /nfs/dbraw/zinc/03/84/40/571038440.db2.gz DWUMACVWOZJUSD-KNQAVFIVSA-N 0 3 396.535 2.085 50 0 GEAAHN Cn1cc(CCN2CCC3(CCC(=O)N(CCc4ccncc4)C3)CC2)cn1 ZINC000092078807 571044377 /nfs/dbraw/zinc/04/43/77/571044377.db2.gz WZZRRXFODWXLEP-UHFFFAOYSA-N 0 3 381.524 2.305 50 0 GEAAHN Cc1ccnn1CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095360567 571055082 /nfs/dbraw/zinc/05/50/82/571055082.db2.gz LJFURHWKGWEPOB-KSEOMHKRSA-N 0 3 380.492 2.376 50 0 GEAAHN CCC[C@H](N)C(=O)N1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000095367036 571059076 /nfs/dbraw/zinc/05/90/76/571059076.db2.gz NHCLKQFDHFQLLG-KRWDZBQOSA-N 0 3 379.451 2.433 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3cc(C)nn3C)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095381491 571067696 /nfs/dbraw/zinc/06/76/96/571067696.db2.gz RIRSHQDGGZBZOY-CEWLAPEOSA-N 0 3 380.492 2.440 50 0 GEAAHN Cn1cc(CCC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)cn1 ZINC000095382392 571068661 /nfs/dbraw/zinc/06/86/61/571068661.db2.gz WRTXFFCRBUNWNE-KSEOMHKRSA-N 0 3 380.492 2.147 50 0 GEAAHN Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c(=O)[n-]1 ZINC000095386701 571070437 /nfs/dbraw/zinc/07/04/37/571070437.db2.gz KKHIUNPUOZZGDG-RTBURBONSA-N 0 3 380.492 2.052 50 0 GEAAHN Cc1nc(C)c(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c(=O)[n-]1 ZINC000095386701 571070438 /nfs/dbraw/zinc/07/04/38/571070438.db2.gz KKHIUNPUOZZGDG-RTBURBONSA-N 0 3 380.492 2.052 50 0 GEAAHN COc1cc([C@@H](C)NCCc2nc(C)no2)ccc1S(=O)(=O)C(F)F ZINC000180483270 644504735 /nfs/dbraw/zinc/50/47/35/644504735.db2.gz PDDNUBUORPFYRX-SECBINFHSA-N 0 3 375.397 2.276 50 0 GEAAHN COc1ccsc1S(=O)(=O)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000192939555 645232614 /nfs/dbraw/zinc/23/26/14/645232614.db2.gz CKNWBLFZWNEGLW-HNNXBMFYSA-N 0 3 381.523 2.294 50 0 GEAAHN O=C(C[C@H]1CCNC[C@@H]1F)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000888101959 654066111 /nfs/dbraw/zinc/06/61/11/654066111.db2.gz RLWDOTPZMRLMIF-OCCSQVGLSA-N 0 3 396.264 2.365 50 0 GEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(CCCOCc3ccccc3)C[C@@H]2C1 ZINC000095374390 230981641 /nfs/dbraw/zinc/98/16/41/230981641.db2.gz HBGGMSHCGOYYDS-TZIWHRDSSA-N 0 3 375.513 2.034 50 0 GEAAHN O=C(OCCc1cn[nH]c1)C1CCN(c2ccccc2Br)C1=O ZINC000119309729 531965345 /nfs/dbraw/zinc/96/53/45/531965345.db2.gz LRIDDBQABDIJSA-GFCCVEGCSA-N 0 3 378.226 2.311 50 0 GEAAHN CC(C)n1cnc(S(=O)(=O)[N-]CC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000240002239 532518752 /nfs/dbraw/zinc/51/87/52/532518752.db2.gz PPVNWBVVQHLCCB-UHFFFAOYSA-N 0 3 386.587 2.350 50 0 GEAAHN COCCNC(=O)CCC1CCN(Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000011954762 221141272 /nfs/dbraw/zinc/14/12/72/221141272.db2.gz WTEMQWGXCPPSQO-UHFFFAOYSA-N 0 3 378.469 2.179 50 0 GEAAHN Cc1ccccc1[C@]1(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C1=O ZINC000011978759 221141324 /nfs/dbraw/zinc/14/13/24/221141324.db2.gz QIHNCPUBZLJYLV-QFIPXVFZSA-N 0 3 387.524 2.058 50 0 GEAAHN CN(Cc1nc2c(s1)CCCC2)C(=O)c1cn(CCN2CCCCC2)nn1 ZINC000011998335 221141807 /nfs/dbraw/zinc/14/18/07/221141807.db2.gz PZEXHHQMDRGMLJ-UHFFFAOYSA-N 0 3 388.541 2.372 50 0 GEAAHN COc1cccc(OC[C@H](O)CN2C(=O)CC[C@H]2CCNCc2cccnc2)c1 ZINC000012247121 221172813 /nfs/dbraw/zinc/17/28/13/221172813.db2.gz QAGPLGZEBFJVSS-RBUKOAKNSA-N 0 3 399.491 2.001 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CN2CCCC2=O)C1 ZINC000012574060 221209269 /nfs/dbraw/zinc/20/92/69/221209269.db2.gz MSVDBHLZJQSTHV-SFHVURJKSA-N 0 3 387.524 2.031 50 0 GEAAHN Cc1sc2ncn(CC(=O)N[C@H]3CCN(Cc4ccccc4)C3)c(=O)c2c1C ZINC000014075766 221297602 /nfs/dbraw/zinc/29/76/02/221297602.db2.gz KEXYVPOSVQVLLU-KRWDZBQOSA-N 0 3 396.516 2.466 50 0 GEAAHN Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-n4cnnn4)c3)C2)s1 ZINC000014974464 221323568 /nfs/dbraw/zinc/32/35/68/221323568.db2.gz QSNDSUDWTKXOLF-AWEZNQCLSA-N 0 3 383.481 2.278 50 0 GEAAHN COc1cccc2c1OCCCN(C(=O)c1cn(CCN3CCCCC3)nn1)C2 ZINC000014980986 221323106 /nfs/dbraw/zinc/32/31/06/221323106.db2.gz CVLJVMKMNGSLEG-UHFFFAOYSA-N 0 3 399.495 2.198 50 0 GEAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@H](C)COC)CC2 ZINC000014539838 221312600 /nfs/dbraw/zinc/31/26/00/221312600.db2.gz SGYMQVWCRLSPLO-QGZVFWFLSA-N 0 3 388.512 2.168 50 0 GEAAHN Cc1c(CN2CCC3(CC2)C(=O)N(CCc2ccccc2)C(=O)N3C)cnn1C ZINC000014748139 221315285 /nfs/dbraw/zinc/31/52/85/221315285.db2.gz WZOKEDKRRCXOMX-UHFFFAOYSA-N 0 3 395.507 2.200 50 0 GEAAHN COC[C@H](C)N1CCC2(CC1)C(=O)N(C)C(=O)N2CCc1ccc(OC)cc1 ZINC000014750783 221315535 /nfs/dbraw/zinc/31/55/35/221315535.db2.gz GHAOCGMAYPBVOU-INIZCTEOSA-N 0 3 389.496 2.001 50 0 GEAAHN CCc1ccc(CN2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)cc1 ZINC000014993713 221324584 /nfs/dbraw/zinc/32/45/84/221324584.db2.gz ZZXOPOHRBXZGTR-UHFFFAOYSA-N 0 3 390.491 2.224 50 0 GEAAHN COc1c(F)cc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc2)cc1F ZINC000426444911 533427929 /nfs/dbraw/zinc/42/79/29/533427929.db2.gz JOJSFBIKHYJANL-ROUUACIJSA-N 0 3 376.403 2.387 50 0 GEAAHN O=C(c1ccc[nH]c1=S)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000058245772 136155088 /nfs/dbraw/zinc/15/50/88/136155088.db2.gz UJBMLFVOWLAWCP-QGZVFWFLSA-N 0 3 397.548 2.440 50 0 GEAAHN Cc1ccc(NC(=O)NCCNc2cc(N3CCOCC3)nc(C)n2)cc1C ZINC000065365130 136163674 /nfs/dbraw/zinc/16/36/74/136163674.db2.gz VYIOCZNYSGSEPQ-UHFFFAOYSA-N 0 3 384.484 2.472 50 0 GEAAHN Cc1cccc(N2CCC(N3CC[C@@H](NC(=O)c4ccncc4)[C@H](O)C3)CC2)c1 ZINC000077339830 136171853 /nfs/dbraw/zinc/17/18/53/136171853.db2.gz JHCIGEBGLWXFAN-FGZHOGPDSA-N 0 3 394.519 2.224 50 0 GEAAHN CCN1CCN(c2cc(CN[C@@H](C)CC(=O)N3CCCCCC3)ccn2)CC1 ZINC000095421343 136179156 /nfs/dbraw/zinc/17/91/56/136179156.db2.gz KVCWJFDNQYAWGW-IBGZPJMESA-N 0 3 387.572 2.494 50 0 GEAAHN CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1ccccc1N1CCN(CCO)C[C@H]12 ZINC000248041437 136192881 /nfs/dbraw/zinc/19/28/81/136192881.db2.gz TWLQEMWQOREMFR-GMAHTHKFSA-N 0 3 390.487 2.135 50 0 GEAAHN CCOc1ccc(CN2CCN(c3cc(C)nc(NC)n3)C[C@H]2CCO)cc1 ZINC000106980530 136197056 /nfs/dbraw/zinc/19/70/56/136197056.db2.gz NNTHBAUFWLKRCO-GOSISDBHSA-N 0 3 385.512 2.299 50 0 GEAAHN O=C1C2=C(CN1CCN1CCCC1)NC(=O)N[C@@H]2c1ccccc1C(F)(F)F ZINC000057531458 222035569 /nfs/dbraw/zinc/03/55/69/222035569.db2.gz IOWFWYOSMUUTCR-MRXNPFEDSA-N 0 3 394.397 2.251 50 0 GEAAHN COc1cccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1OCCN(C)C ZINC000055211967 222017729 /nfs/dbraw/zinc/01/77/29/222017729.db2.gz HWFXZJZYTVQKHJ-UHFFFAOYSA-N 0 3 379.424 2.155 50 0 GEAAHN CCOc1ccc(S(=O)(=O)N(CCN(C)C)C[C@@H]2CCCN2CC)cc1 ZINC000058341129 222048583 /nfs/dbraw/zinc/04/85/83/222048583.db2.gz CMBQOSYMQDIVBV-KRWDZBQOSA-N 0 3 383.558 2.122 50 0 GEAAHN CCc1ccc([C@@H](CNC(=O)c2sc(S(N)(=O)=O)cc2C)N(C)C)cc1 ZINC000058441305 222054130 /nfs/dbraw/zinc/05/41/30/222054130.db2.gz FRAOCBFDRSCTAG-OAHLLOKOSA-N 0 3 395.550 2.299 50 0 GEAAHN CCCN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 ZINC000059748058 222058262 /nfs/dbraw/zinc/05/82/62/222058262.db2.gz MMKYJPIXXXRHCW-OAHLLOKOSA-N 0 3 393.553 2.479 50 0 GEAAHN Nc1nnc(SCC(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000063833055 222067149 /nfs/dbraw/zinc/06/71/49/222067149.db2.gz YOWNXEJRFHGDBW-AWEZNQCLSA-N 0 3 377.539 2.241 50 0 GEAAHN CCn1c2c(C(=O)Nc3ccc(F)cc3Cl)cnn2c(=O)c2c1CCNC2 ZINC000064966180 222090870 /nfs/dbraw/zinc/09/08/70/222090870.db2.gz XWEBIOYGHUGQHE-UHFFFAOYSA-N 0 3 389.818 2.206 50 0 GEAAHN Cc1ccc(C)c(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c1 ZINC000065365529 222125038 /nfs/dbraw/zinc/12/50/38/222125038.db2.gz KZTQUGQQMGYGSD-UHFFFAOYSA-N 0 3 381.542 2.060 50 0 GEAAHN CCOc1ccccc1-c1nc(CC(=O)NCCN(C)CCOC)cs1 ZINC000065541387 222132933 /nfs/dbraw/zinc/13/29/33/222132933.db2.gz BROSXFRZNGMDKQ-UHFFFAOYSA-N 0 3 377.510 2.446 50 0 GEAAHN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@@H+]1CCCN(c3ccncc3)CC1)C2 ZINC000067654185 222151350 /nfs/dbraw/zinc/15/13/50/222151350.db2.gz FHSFOVDZCJGDLC-KRWDZBQOSA-N 0 3 383.496 2.456 50 0 GEAAHN CCCn1nc(C(=O)[O-])c2c1CC[C@H]([N@H+]1CCCN(c3ccncc3)CC1)C2 ZINC000067654185 222151351 /nfs/dbraw/zinc/15/13/51/222151351.db2.gz FHSFOVDZCJGDLC-KRWDZBQOSA-N 0 3 383.496 2.456 50 0 GEAAHN Cc1ccc(N(CCCC(=O)NC2CCN(C)CC2)S(C)(=O)=O)cc1C ZINC000067620746 222152612 /nfs/dbraw/zinc/15/26/12/222152612.db2.gz RPGSYKUUGOZKSL-UHFFFAOYSA-N 0 3 381.542 2.060 50 0 GEAAHN Cc1c(CN2CCN(C)C3(CCN(C(=O)OCC(C)C)CC3)C2)cnn1C ZINC000067758232 222157388 /nfs/dbraw/zinc/15/73/88/222157388.db2.gz SIHOUWOFVBUKID-UHFFFAOYSA-N 0 3 377.533 2.103 50 0 GEAAHN COc1ccc([C@H](N)CC(=O)N2CCC(O)(c3ccc(C)cn3)CC2)cc1OC ZINC000067774909 222159757 /nfs/dbraw/zinc/15/97/57/222159757.db2.gz JKNIXLYLLUMTAW-QGZVFWFLSA-N 0 3 399.491 2.307 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc(-n4cncn4)cc3)cnn2c1 ZINC000067855704 222162569 /nfs/dbraw/zinc/16/25/69/222162569.db2.gz UUEXJVZRCPVDOW-UHFFFAOYSA-N 0 3 390.451 2.404 50 0 GEAAHN Cc1ccccc1N1CCN(c2ncccc2CN[C@H](C)Cn2cncn2)CC1 ZINC000067872242 222164566 /nfs/dbraw/zinc/16/45/66/222164566.db2.gz QMLWZLJPQMFRMD-LJQANCHMSA-N 0 3 391.523 2.486 50 0 GEAAHN CCCn1cc(CN2CCN(C)C3(CCN(C(=O)C(C)C)CC3)C2)c(C)n1 ZINC000067880771 222164980 /nfs/dbraw/zinc/16/49/80/222164980.db2.gz XNVFKINQVPEQIR-UHFFFAOYSA-N 0 3 375.561 2.366 50 0 GEAAHN O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000067881665 222165588 /nfs/dbraw/zinc/16/55/88/222165588.db2.gz XZQZHRNEIXGHQB-LBPRGKRZSA-N 0 3 381.354 2.177 50 0 GEAAHN CC(C)C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)c1nnc2n1CCNCC2 ZINC000067974290 222170044 /nfs/dbraw/zinc/17/00/44/222170044.db2.gz ZOPWPURESBSYKM-OAHLLOKOSA-N 0 3 395.463 2.047 50 0 GEAAHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CCN(C)CC1 ZINC000071376519 222183857 /nfs/dbraw/zinc/18/38/57/222183857.db2.gz IRUVVFPHJBYWRB-UHFFFAOYSA-N 0 3 395.525 2.150 50 0 GEAAHN CN(CCc1ccccc1)C1(C(=O)N[C@@H]2CCN(C)C2=O)Cc2ccccc2C1 ZINC000072133327 222210526 /nfs/dbraw/zinc/21/05/26/222210526.db2.gz MITFLJPRKGEHOT-OAQYLSRUSA-N 0 3 391.515 2.045 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3cccn(C)c3=O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072164897 222215589 /nfs/dbraw/zinc/21/55/89/222215589.db2.gz OSCVKIKJRRWVCV-PWRODBHTSA-N 0 3 377.488 2.396 50 0 GEAAHN Cc1cc(C)n(-c2ccc(NC(=O)C3CCN(C[C@H]4CNC(=O)O4)CC3)cc2)n1 ZINC000095504650 222336460 /nfs/dbraw/zinc/33/64/60/222336460.db2.gz OUBUMDTXLRTKQR-LJQANCHMSA-N 0 3 397.479 2.248 50 0 GEAAHN CCN1CCN(C[C@@H](O)COc2cccc(CN(C)Cc3ccoc3)c2)CC1 ZINC000095504855 222338037 /nfs/dbraw/zinc/33/80/37/222338037.db2.gz CUQNBHYKKKBYEM-OAQYLSRUSA-N 0 3 387.524 2.289 50 0 GEAAHN COc1ccc(OC[C@H](O)CN(C)C)c(CN2CCOC3(CCCC3)C2)c1 ZINC000095506281 222339704 /nfs/dbraw/zinc/33/97/04/222339704.db2.gz PLEHJRKJWUEOGY-GOSISDBHSA-N 0 3 378.513 2.142 50 0 GEAAHN Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c1 ZINC000095511104 222342109 /nfs/dbraw/zinc/34/21/09/222342109.db2.gz RWWYFXVAZJGHMT-IBGZPJMESA-N 0 3 383.496 2.245 50 0 GEAAHN Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)c1 ZINC000095511104 222342113 /nfs/dbraw/zinc/34/21/13/222342113.db2.gz RWWYFXVAZJGHMT-IBGZPJMESA-N 0 3 383.496 2.245 50 0 GEAAHN COc1ccc(CNC(=O)CC[C@H]2CCCN(C(=O)C(C)(C)N)C2)c(OC)c1 ZINC000095511957 222343188 /nfs/dbraw/zinc/34/31/88/222343188.db2.gz ATPXPRRYCPJBJQ-OAHLLOKOSA-N 0 3 391.512 2.076 50 0 GEAAHN NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(CCN2CCSCC2)cc1 ZINC000076069765 222271915 /nfs/dbraw/zinc/27/19/15/222271915.db2.gz FBKAHYAKHWFSRO-SJORKVTESA-N 0 3 376.526 2.053 50 0 GEAAHN C[C@@H](NCCNC(=O)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000079015313 222300655 /nfs/dbraw/zinc/30/06/55/222300655.db2.gz CTAHNMUUTFWPQX-OAHLLOKOSA-N 0 3 375.494 2.018 50 0 GEAAHN CSc1nnc(CC2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)n1C ZINC000082147228 222310133 /nfs/dbraw/zinc/31/01/33/222310133.db2.gz JTXFFWJEJFQJAC-UHFFFAOYSA-N 0 3 384.513 2.172 50 0 GEAAHN COc1ccc(C(=O)N2CCCC2)c(OC2CCN(CCn3cnnc3)CC2)c1 ZINC000095521808 222346360 /nfs/dbraw/zinc/34/63/60/222346360.db2.gz ZGRWIYUHMBFJRS-UHFFFAOYSA-N 0 3 399.495 2.066 50 0 GEAAHN O=c1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)nc2ccc(Cl)cn12 ZINC000095524477 222348069 /nfs/dbraw/zinc/34/80/69/222348069.db2.gz OBBQSPLZSAFJBP-DYESRHJHSA-N 0 3 397.862 2.318 50 0 GEAAHN COc1cccc(CN2CCCC2(C)C)c1OC[C@H](O)CN1CCOCC1 ZINC000095522907 222348977 /nfs/dbraw/zinc/34/89/77/222348977.db2.gz GGYDGDGHLSYWOC-GOSISDBHSA-N 0 3 378.513 2.142 50 0 GEAAHN CCN(CC)S(=O)(=O)N(C)CC1CCN(CCc2ccc(OC)cc2)CC1 ZINC000095531003 222352913 /nfs/dbraw/zinc/35/29/13/222352913.db2.gz PSQQBRUEYIQNEQ-UHFFFAOYSA-N 0 3 397.585 2.468 50 0 GEAAHN COC(=O)C1CCN(C[C@@H](O)COc2cccc(CN3CCCCC3)c2)CC1 ZINC000095529061 222352978 /nfs/dbraw/zinc/35/29/78/222352978.db2.gz KHOOWBMTTOTEIT-HXUWFJFHSA-N 0 3 390.524 2.297 50 0 GEAAHN NS(=O)(=O)c1ccc(C(=O)N[C@@H](CN2CCCC2)c2ccccc2)cc1F ZINC000095963158 222364960 /nfs/dbraw/zinc/36/49/60/222364960.db2.gz DBIIVZPCKPBLIE-KRWDZBQOSA-N 0 3 391.468 2.040 50 0 GEAAHN CC(C)C(=O)Nc1cc(NC(=O)NCCCN2CCN(C)CC2)ccc1F ZINC000096136361 222385734 /nfs/dbraw/zinc/38/57/34/222385734.db2.gz NKNYBNBSMSUAQB-UHFFFAOYSA-N 0 3 379.480 2.179 50 0 GEAAHN CN1CCC(Cc2nc(Cn3ccccc3=O)n(Cc3ccccc3)n2)CC1 ZINC000096141161 222388018 /nfs/dbraw/zinc/38/80/18/222388018.db2.gz PTOWDUSSSHTTRG-UHFFFAOYSA-N 0 3 377.492 2.421 50 0 GEAAHN Cc1c(CN2CCC(c3nnc(Cn4ccnc4)n3C3CC3)CC2)cnn1C ZINC000096162862 222393523 /nfs/dbraw/zinc/39/35/23/222393523.db2.gz AILWUVRVLXRTEE-UHFFFAOYSA-N 0 3 380.500 2.279 50 0 GEAAHN COC(=O)c1cccc(-c2ccc(C(=O)NCC3(O)CCN(C)CC3)cc2)c1 ZINC000426502890 534250867 /nfs/dbraw/zinc/25/08/67/534250867.db2.gz LCZJTRXJNCJYHW-UHFFFAOYSA-N 0 3 382.460 2.327 50 0 GEAAHN CN1CCC([n+]2[n-]n(-c3ccccc3)c(=O)c2C(=O)Nc2ccccc2)CC1 ZINC000025182918 523784887 /nfs/dbraw/zinc/78/48/87/523784887.db2.gz ZGMUFDNZLFWQRK-UHFFFAOYSA-O 0 3 378.456 2.384 50 0 GEAAHN CCCc1cnc(C)nc1N1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000095507147 535437190 /nfs/dbraw/zinc/43/71/90/535437190.db2.gz GTYRQPRVKFCNEW-FQEVSTJZSA-N 0 3 381.524 2.393 50 0 GEAAHN CC(=O)Nc1ccc(CN2CCC[C@H](CCC(=O)N3CCN(C)CC3)C2)cc1 ZINC000020207632 570248268 /nfs/dbraw/zinc/24/82/68/570248268.db2.gz ROCBZLRBFNWGNY-LJQANCHMSA-N 0 3 386.540 2.411 50 0 GEAAHN O=C1C[C@@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020405413 570254226 /nfs/dbraw/zinc/25/42/26/570254226.db2.gz IMMBZXHOHDEYNV-QLIIJSOBSA-N 0 3 376.416 2.241 50 0 GEAAHN COc1ccc(OC)c([C@@H](C)NC(=O)C(C)S(=O)(=O)Cc2cc(C)on2)c1 ZINC000046155262 570269378 /nfs/dbraw/zinc/26/93/78/570269378.db2.gz LFBPJRNXFWVVFU-OLZOCXBDSA-N 0 3 396.465 2.181 50 0 GEAAHN CN1CCN(Cn2cc(CCCC(=O)N3CCOCC3)c3ccccc32)CC1 ZINC000020624798 570273244 /nfs/dbraw/zinc/27/32/44/570273244.db2.gz VYBMNUWYUXNAMM-UHFFFAOYSA-N 0 3 384.524 2.028 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(CN2CCN(c3ccccc3F)CC2)cc1 ZINC000034668387 570293134 /nfs/dbraw/zinc/29/31/34/570293134.db2.gz AQTSFCGQHNVOQB-UHFFFAOYSA-N 0 3 384.499 2.439 50 0 GEAAHN CN1CCN(CC2=Cc3cc(Cl)ccc3OC2)C[C@@]12CCNC(=O)CC2 ZINC000107414194 570309352 /nfs/dbraw/zinc/30/93/52/570309352.db2.gz VXJDFGABAAANET-HXUWFJFHSA-N 0 3 375.900 2.402 50 0 GEAAHN CCCCSc1ncc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cn1 ZINC000108016725 570311752 /nfs/dbraw/zinc/31/17/52/570311752.db2.gz YKKMZVADTBSLCE-LJQANCHMSA-N 0 3 377.558 2.155 50 0 GEAAHN CC(C)CCN1CCN(Cc2cn(CC(N)=O)c3ccccc23)C[C@@H]1CCO ZINC000022913500 570333990 /nfs/dbraw/zinc/33/39/90/570333990.db2.gz JBGRPYBKXOBVHN-IBGZPJMESA-N 0 3 386.540 2.041 50 0 GEAAHN COc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCC[NH2+]C2)cc1Cl ZINC000237200531 570334527 /nfs/dbraw/zinc/33/45/27/570334527.db2.gz HJXKAUGPYRFLEO-VIFPVBQESA-N 0 3 397.722 2.389 50 0 GEAAHN O=C(Nc1nnc(C2CCC2)s1)N1CCN([C@@H]2CN3CCC2CC3)CC1 ZINC000023399044 570360993 /nfs/dbraw/zinc/36/09/93/570360993.db2.gz XFLGAPFETNAXSI-OAHLLOKOSA-N 0 3 376.530 2.049 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccccc3F)C2=O)cc1 ZINC000004553086 570383799 /nfs/dbraw/zinc/38/37/99/570383799.db2.gz TUNLQNBGQQZHBQ-GOSISDBHSA-N 0 3 384.407 2.467 50 0 GEAAHN CN(C(=O)CN[C@@H](Cc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000024733980 570390496 /nfs/dbraw/zinc/39/04/96/570390496.db2.gz YQIDJTIKRQJGRA-PMACEKPBSA-N 0 3 386.517 2.206 50 0 GEAAHN CCOC(=O)c1ccc(N2C(=O)C[C@@H](NCCc3ccc(F)cc3)C2=O)cc1 ZINC000004670565 570391833 /nfs/dbraw/zinc/39/18/33/570391833.db2.gz OGKWNVDVICZWDW-GOSISDBHSA-N 0 3 384.407 2.467 50 0 GEAAHN CC(=O)c1ccc(OC[C@H](O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000025695254 570418205 /nfs/dbraw/zinc/41/82/05/570418205.db2.gz DOHJXNLIPUQWJL-KBXCAEBGSA-N 0 3 391.489 2.383 50 0 GEAAHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COc2ccccc2Br)C1 ZINC000005510463 570443617 /nfs/dbraw/zinc/44/36/17/570443617.db2.gz POAPNBTVEVHGHO-UONOGXRCSA-N 0 3 386.286 2.464 50 0 GEAAHN O[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)CN1CCOCC1 ZINC000006651177 570519988 /nfs/dbraw/zinc/51/99/88/570519988.db2.gz PZOKINNSFLCKCV-IBGZPJMESA-N 0 3 398.532 2.384 50 0 GEAAHN O[C@H](COCc1ccccc1)CN(CCN1CCOCC1)Cc1ccccc1 ZINC000036096696 570535535 /nfs/dbraw/zinc/53/55/35/570535535.db2.gz DGRSAACJTDQTDC-QHCPKHFHSA-N 0 3 384.520 2.399 50 0 GEAAHN Cc1ccccc1CN(CCN1CCOCC1)C[C@@H](O)COCc1ccco1 ZINC000036104373 570540776 /nfs/dbraw/zinc/54/07/76/570540776.db2.gz FRPXVLLMKCOKSH-OAQYLSRUSA-N 0 3 388.508 2.300 50 0 GEAAHN CC(C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1 ZINC000040106417 570552390 /nfs/dbraw/zinc/55/23/90/570552390.db2.gz VEVNPUHYPNRCGT-BLLLJJGKSA-N 0 3 396.440 2.079 50 0 GEAAHN CCOC(=O)CCN1C(=O)CC[C@H]1CCNCc1cc2c(cc1Cl)OCO2 ZINC000012056499 570602631 /nfs/dbraw/zinc/60/26/31/570602631.db2.gz IOOZANHJVRZWAC-AWEZNQCLSA-N 0 3 396.871 2.493 50 0 GEAAHN CCCOc1c(Cl)cc(CNCCNC(=O)c2nonc2N)cc1OCC ZINC000040744436 570613760 /nfs/dbraw/zinc/61/37/60/570613760.db2.gz SWLMUIWNKUQKES-UHFFFAOYSA-N 0 3 397.863 2.012 50 0 GEAAHN Cn1c2ccccc2cc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1=O ZINC000244900151 570698752 /nfs/dbraw/zinc/69/87/52/570698752.db2.gz ZWXXVZVHZVDCMK-UHFFFAOYSA-N 0 3 390.487 2.462 50 0 GEAAHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)c1cnc2onc(C)c2c1 ZINC000058175501 570716526 /nfs/dbraw/zinc/71/65/26/570716526.db2.gz PTWRHVGSPQPZTO-INIZCTEOSA-N 0 3 388.468 2.411 50 0 GEAAHN CN1CCN(CCCNC(=O)c2sc3ncccc3c2-n2cccc2)CC1 ZINC000033059845 570746894 /nfs/dbraw/zinc/74/68/94/570746894.db2.gz RKSHGMVEYACUSU-UHFFFAOYSA-N 0 3 383.521 2.454 50 0 GEAAHN O=C(NCCN1CCCCC1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255858 570754234 /nfs/dbraw/zinc/75/42/34/570754234.db2.gz FYFOUIPZZPCBIY-NRFANRHFSA-N 0 3 393.535 2.448 50 0 GEAAHN CCCN1CCN(CCNC(=O)c2cn3ccnc(-c4ccccc4)c3n2)CC1 ZINC000065274392 570776169 /nfs/dbraw/zinc/77/61/69/570776169.db2.gz OKSODOUYNMNIAU-UHFFFAOYSA-N 0 3 392.507 2.154 50 0 GEAAHN O=c1ccc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc2[nH]1 ZINC000033077146 570805797 /nfs/dbraw/zinc/80/57/97/570805797.db2.gz IGYFZNQTKJQTJW-UHFFFAOYSA-N 0 3 375.494 2.167 50 0 GEAAHN CCN(CC)[C@@H](CNC(=O)C1CCN(C(C)=O)CC1)c1cccc(OC)c1 ZINC000036751093 570807915 /nfs/dbraw/zinc/80/79/15/570807915.db2.gz OQYUFEFMPNNCNA-FQEVSTJZSA-N 0 3 375.513 2.453 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CC1)C(=O)N(C)C(=O)N2Cc1ccccc1 ZINC000014539109 570849078 /nfs/dbraw/zinc/84/90/78/570849078.db2.gz QNQBLZKQQKVSHT-UHFFFAOYSA-N 0 3 381.480 2.157 50 0 GEAAHN CNC(=O)c1cccc(NC(=O)NC[C@@H](CN(C)C)[C@H](O)c2ccccc2)c1C ZINC000044174313 570868483 /nfs/dbraw/zinc/86/84/83/570868483.db2.gz JAPJGUKZQDTNFP-FXAWDEMLSA-N 0 3 398.507 2.388 50 0 GEAAHN O=C(NC[C@H](O)CN1CCCC1)Nc1ccnn1Cc1ccc(Cl)cc1 ZINC000299756344 570891743 /nfs/dbraw/zinc/89/17/43/570891743.db2.gz HKMWKGNLQKUFMO-INIZCTEOSA-N 0 3 377.876 2.163 50 0 GEAAHN O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC(N2CCSCC2)CC1 ZINC000299782105 570895046 /nfs/dbraw/zinc/89/50/46/570895046.db2.gz MEYZLDYFELXMRY-UHFFFAOYSA-N 0 3 376.482 2.063 50 0 GEAAHN Cc1cc(NCc2cccnc2N2CCN(c3ccccn3)CC2)nc(N)n1 ZINC000019222877 570963521 /nfs/dbraw/zinc/96/35/21/570963521.db2.gz KGZLUPUDNXJNCQ-UHFFFAOYSA-N 0 3 376.468 2.096 50 0 GEAAHN CN1CC[C@@H](NC(=O)NC[C@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000252474606 570964460 /nfs/dbraw/zinc/96/44/60/570964460.db2.gz IEDYYCCBLJTLGX-UKRRQHHQSA-N 0 3 381.318 2.279 50 0 GEAAHN Cc1nc(CCNCc2c(C(=O)N3CCOCC3)nc3ccccn32)sc1C ZINC000019338895 570976682 /nfs/dbraw/zinc/97/66/82/570976682.db2.gz YENXNPBVAJWKND-UHFFFAOYSA-N 0 3 399.520 2.212 50 0 GEAAHN CN(C)CCOc1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000046721013 571005276 /nfs/dbraw/zinc/00/52/76/571005276.db2.gz IZNQJTYYAITJPP-UHFFFAOYSA-N 0 3 380.448 2.435 50 0 GEAAHN Cc1cc(N)n(CC(=O)N2C[C@H]3CC[C@@H]2CN(CCCc2ccccc2)C3)n1 ZINC000091519152 571011918 /nfs/dbraw/zinc/01/19/18/571011918.db2.gz SWPRPMJYOQMFSQ-VQTJNVASSA-N 0 3 381.524 2.329 50 0 GEAAHN Cc1c(CN2CCC3(CCC(=O)N(CCCn4ccnc4)C3)CC2)cnn1C ZINC000091625117 571018996 /nfs/dbraw/zinc/01/89/96/571018996.db2.gz GQSVGJGBSOLWKL-UHFFFAOYSA-N 0 3 384.528 2.220 50 0 GEAAHN CN(C)CCn1ccnc1C1CCN(C(=O)CN2Cc3ccccc3C2)CC1 ZINC000091780776 571030217 /nfs/dbraw/zinc/03/02/17/571030217.db2.gz CNMCICJYXOMKSL-UHFFFAOYSA-N 0 3 381.524 2.167 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc4occc4c3)C[C@H]2CCCO)CC1 ZINC000091871979 571034173 /nfs/dbraw/zinc/03/41/73/571034173.db2.gz KMNMMBBQQPQUHH-UXHICEINSA-N 0 3 385.508 2.283 50 0 GEAAHN COc1ccc(O)cc1CN1CCC2(CCC(=O)N(CCN(C)C)C2)CC1 ZINC000091965740 571038080 /nfs/dbraw/zinc/03/80/80/571038080.db2.gz COTDGPUVLQJPIE-UHFFFAOYSA-N 0 3 375.513 2.167 50 0 GEAAHN COCCN(C)C[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)C[C@@H]1CO ZINC000091987827 571038886 /nfs/dbraw/zinc/03/88/86/571038886.db2.gz AGNKTUDSGLPPSV-ZIAGYGMSSA-N 0 3 389.323 2.181 50 0 GEAAHN Fc1ccc(OCc2noc(CN3CCCN(C[C@H]4CCCO4)CC3)n2)cc1 ZINC000247556753 571048599 /nfs/dbraw/zinc/04/85/99/571048599.db2.gz XMIYUKFAXJWDOA-GOSISDBHSA-N 0 3 390.459 2.474 50 0 GEAAHN Cc1nnc(CCC(=O)N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)[nH]1 ZINC000095359648 571054623 /nfs/dbraw/zinc/05/46/23/571054623.db2.gz OBCUTASLNCPJHF-IOMROCGXSA-N 0 3 383.471 2.274 50 0 GEAAHN Cn1c(Cn2ccnc2)nnc1[C@@H]1CCCN(CCOCc2ccccc2)C1 ZINC000095365917 571057866 /nfs/dbraw/zinc/05/78/66/571057866.db2.gz HCQIMILAXBHAGV-LJQANCHMSA-N 0 3 380.496 2.456 50 0 GEAAHN Cn1c(Cn2ccnc2)nnc1[C@H]1CCCN(CCOCc2ccccc2)C1 ZINC000095365918 571058485 /nfs/dbraw/zinc/05/84/85/571058485.db2.gz HCQIMILAXBHAGV-IBGZPJMESA-N 0 3 380.496 2.456 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000095377051 571065206 /nfs/dbraw/zinc/06/52/06/571065206.db2.gz LLEFHEDXODSKBT-KRWDZBQOSA-N 0 3 378.480 2.408 50 0 GEAAHN O=C(OCCc1cn[nH]c1)C1CCN(c2ccccc2Br)C1=O ZINC000119309612 531965613 /nfs/dbraw/zinc/96/56/13/531965613.db2.gz LRIDDBQABDIJSA-LBPRGKRZSA-N 0 3 378.226 2.311 50 0 GEAAHN O=C(Nc1ncc(Cc2cccc(Br)c2)s1)[C@H]1C[C@@H](O)CN1 ZINC000238010284 532514937 /nfs/dbraw/zinc/51/49/37/532514937.db2.gz KDKFZAGYLMDJIE-DGCLKSJQSA-N 0 3 382.283 2.158 50 0 GEAAHN O=S(=O)(Cc1ccccc1)NC[C@H]1CCCN(CCCn2cccn2)C1 ZINC000011815811 221127993 /nfs/dbraw/zinc/12/79/93/221127993.db2.gz GWDNLOSCZJNRBZ-LJQANCHMSA-N 0 3 376.526 2.105 50 0 GEAAHN COc1ccc(C(=O)CCC(=O)N[C@H]2CCCN(C3CCN(C)CC3)C2)cc1 ZINC000011843001 221131889 /nfs/dbraw/zinc/13/18/89/221131889.db2.gz RFKBLAHZQFLVCT-SFHVURJKSA-N 0 3 387.524 2.333 50 0 GEAAHN Cc1ccc([C@@H](C)CCN(C)CCn2cc(C(=O)N3CCSCC3)nn2)o1 ZINC000012132274 221157418 /nfs/dbraw/zinc/15/74/18/221157418.db2.gz DAKUKTJOMCVYTI-HNNXBMFYSA-N 0 3 391.541 2.494 50 0 GEAAHN CN(C)CCSc1nnc(CNC(=O)C2(c3ccc(Cl)cc3)CC2)n1C ZINC000012149863 221159995 /nfs/dbraw/zinc/15/99/95/221159995.db2.gz AVRAZYLUNTZBFU-UHFFFAOYSA-N 0 3 393.944 2.470 50 0 GEAAHN CCc1c(C(=O)NCc2cnn(C)c2C)c(=O)cc(C)n1CCN1CCCCC1 ZINC000012217164 221168333 /nfs/dbraw/zinc/16/83/33/221168333.db2.gz DLPBEXKJDWLKBA-UHFFFAOYSA-N 0 3 399.539 2.177 50 0 GEAAHN CC[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000012553765 221205752 /nfs/dbraw/zinc/20/57/52/221205752.db2.gz RWLDHCGIMQXDSC-GOSISDBHSA-N 0 3 393.553 2.092 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000013691984 221281834 /nfs/dbraw/zinc/28/18/34/221281834.db2.gz LQEAKOWYILLXCK-INIZCTEOSA-N 0 3 398.507 2.102 50 0 GEAAHN CCOC(=O)[C@@]1(CCOC)CCCN(Cc2ccc(N3CCNC3=O)cc2)C1 ZINC000014970127 221321536 /nfs/dbraw/zinc/32/15/36/221321536.db2.gz PJZGGSWTERDFDB-OAQYLSRUSA-N 0 3 389.496 2.398 50 0 GEAAHN COCCN(C)[C@@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014743510 221315555 /nfs/dbraw/zinc/31/55/55/221315555.db2.gz YJNSSDCGZHIURI-GOSISDBHSA-N 0 3 382.508 2.054 50 0 GEAAHN CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCN(C)[C@@H](C)C2)nc1 ZINC000015079427 221332653 /nfs/dbraw/zinc/33/26/53/221332653.db2.gz PVAMCLQJOGAXBJ-KRWDZBQOSA-N 0 3 384.528 2.362 50 0 GEAAHN COc1ccc(C(=O)N[C@H](C(N)=O)C(C)C)cc1OC1CCN(C(C)C)CC1 ZINC000014980036 221323923 /nfs/dbraw/zinc/32/39/23/221323923.db2.gz NOMOSEKZKGIYKF-IBGZPJMESA-N 0 3 391.512 2.187 50 0 GEAAHN CC(C)c1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCN1CCCCC1 ZINC000015883502 221351140 /nfs/dbraw/zinc/35/11/40/221351140.db2.gz CFSKSVNISIBSNX-UHFFFAOYSA-N 0 3 376.526 2.334 50 0 GEAAHN Cc1nc(NCCNC(=O)c2c(F)cccc2Cl)cc(N2CCOCC2)n1 ZINC000065363169 136163606 /nfs/dbraw/zinc/16/36/06/136163606.db2.gz UOESUBGQPPNUHP-UHFFFAOYSA-N 0 3 393.850 2.256 50 0 GEAAHN Cc1nc(N(C)C)cc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 ZINC000072441236 136170628 /nfs/dbraw/zinc/17/06/28/136170628.db2.gz MICIRXJRGOXONM-UHFFFAOYSA-N 0 3 389.887 2.232 50 0 GEAAHN CSc1nccc(N2CCC3(CCC(=O)N([C@H]4CCN(C)C4)C3)CC2)n1 ZINC000091526157 136176513 /nfs/dbraw/zinc/17/65/13/136176513.db2.gz FVZZAFWNUUSBST-HNNXBMFYSA-N 0 3 375.542 2.112 50 0 GEAAHN Cc1cc(N[C@H]2CC(C)(C)Cc3nc(N4CCC(O)CC4)ncc32)nc(N)n1 ZINC000091706584 136177152 /nfs/dbraw/zinc/17/71/52/136177152.db2.gz BZMHVENKDCIWOS-HNNXBMFYSA-N 0 3 383.500 2.244 50 0 GEAAHN CN1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cn3)C[C@H]2CCCO)CC1 ZINC000091860113 136177225 /nfs/dbraw/zinc/17/72/25/136177225.db2.gz ZMOVYQGLODGGOK-WBVHZDCISA-N 0 3 386.462 2.315 50 0 GEAAHN O=C(CC[C@@H]1CCCN(Cc2cnc[nH]2)C1)N1CCN(c2ccccn2)CC1 ZINC000095509867 136180447 /nfs/dbraw/zinc/18/04/47/136180447.db2.gz FVIAOCYPQPOIFP-SFHVURJKSA-N 0 3 382.512 2.146 50 0 GEAAHN Cc1nc2c(c(=O)n1C)CN(C1CCN(c3ncnc4ccsc43)CC1)C2 ZINC000095519198 136180955 /nfs/dbraw/zinc/18/09/55/136180955.db2.gz NIBXFVCNSHSOBU-UHFFFAOYSA-N 0 3 382.493 2.078 50 0 GEAAHN COC(=O)Nc1cccc(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000095959740 136182767 /nfs/dbraw/zinc/18/27/67/136182767.db2.gz HBRITFBAJMOFDV-UHFFFAOYSA-N 0 3 397.479 2.284 50 0 GEAAHN NC(=O)C1CCN(C(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000057173112 222030601 /nfs/dbraw/zinc/03/06/01/222030601.db2.gz OIQBJUGUZBQYHH-UHFFFAOYSA-N 0 3 377.488 2.432 50 0 GEAAHN COc1ccc(Br)cc1S(=O)(=O)NC[C@@H](C)CN1CCCC1 ZINC000048290869 221984743 /nfs/dbraw/zinc/98/47/43/221984743.db2.gz QATDACRYKHHZFU-GFCCVEGCSA-N 0 3 391.331 2.468 50 0 GEAAHN CCn1c(C)nnc1SCCNC(=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000055370787 222020110 /nfs/dbraw/zinc/02/01/10/222020110.db2.gz IGHJEMBGYHTHFA-OAHLLOKOSA-N 0 3 377.514 2.320 50 0 GEAAHN COCCN1C(=O)Cc2ccccc2[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 ZINC000065170351 222104513 /nfs/dbraw/zinc/10/45/13/222104513.db2.gz CJSLNAOWHPJANO-JOCHJYFZSA-N 0 3 399.535 2.236 50 0 GEAAHN CCN1CCC[C@H]1CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N(C)C ZINC000058160943 222042699 /nfs/dbraw/zinc/04/26/99/222042699.db2.gz GYNJWKXYPVQZKN-KRWDZBQOSA-N 0 3 394.947 2.461 50 0 GEAAHN C[C@H]1CCC[C@@](CNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)(N(C)C)C1 ZINC000058249821 222047751 /nfs/dbraw/zinc/04/77/51/222047751.db2.gz KYOHVQMHLUZUEU-IFXJQAMLSA-N 0 3 379.526 2.360 50 0 GEAAHN COC(=O)c1ccc(CN[C@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)cc1 ZINC000065257002 222117853 /nfs/dbraw/zinc/11/78/53/222117853.db2.gz WZRWHFRZSWEVGH-IBGZPJMESA-N 0 3 394.475 2.129 50 0 GEAAHN Cc1ccc(S(=O)(=O)NCCNc2cc(N3CCCC3)nc(C)n2)cc1C ZINC000065362206 222124335 /nfs/dbraw/zinc/12/43/35/222124335.db2.gz CCFQJZBPHXURED-UHFFFAOYSA-N 0 3 389.525 2.392 50 0 GEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(C)ccc1C)S(C)(=O)=O ZINC000065365527 222125431 /nfs/dbraw/zinc/12/54/31/222125431.db2.gz IVQDGIXAZUGGGU-QGZVFWFLSA-N 0 3 381.542 2.058 50 0 GEAAHN O=c1c2c3c(sc2ncn1Cc1csc(-c2cnccn2)n1)CNCC3 ZINC000065494900 222132063 /nfs/dbraw/zinc/13/20/63/222132063.db2.gz MTQRIOXBIGRHGW-UHFFFAOYSA-N 0 3 382.474 2.066 50 0 GEAAHN Cc1nc(C)c(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)s1 ZINC000067601880 222150316 /nfs/dbraw/zinc/15/03/16/222150316.db2.gz LJHCMMXHIZUDDO-UHFFFAOYSA-N 0 3 386.525 2.421 50 0 GEAAHN Cc1cnc(C)c(-c2cc(O)c3c(c2)CN(C(=O)[C@@H]2CCCCN2)CCO3)n1 ZINC000067676467 222154754 /nfs/dbraw/zinc/15/47/54/222154754.db2.gz GPTCFBGNPFEGSS-KRWDZBQOSA-N 0 3 382.464 2.329 50 0 GEAAHN COc1ccc(F)c(CN2CCC[C@@](O)(CNCCc3ccc(C)o3)C2=O)c1 ZINC000067769694 222158899 /nfs/dbraw/zinc/15/88/99/222158899.db2.gz JVCPBVQDLJGNML-OAQYLSRUSA-N 0 3 390.455 2.422 50 0 GEAAHN CC(C)C[C@@H](NC(=O)c1cccc2cnccc21)c1nnc2n1CCNCC2 ZINC000067770987 222159823 /nfs/dbraw/zinc/15/98/23/222159823.db2.gz UDELKLGDYXULEJ-GOSISDBHSA-N 0 3 378.480 2.489 50 0 GEAAHN Cc1ccc(-n2cc(CN3CCC4(CC3)C(=O)NCCCN4C)cn2)cc1C ZINC000067786704 222159892 /nfs/dbraw/zinc/15/98/92/222159892.db2.gz YMUHBANFTMBCEA-UHFFFAOYSA-N 0 3 381.524 2.275 50 0 GEAAHN Cc1ccccc1N1CCN(c2ncccc2CNC(=O)[C@H](N)C(C)C)CC1 ZINC000067920085 222167742 /nfs/dbraw/zinc/16/77/42/222167742.db2.gz NVUJENJLEYZCHQ-HXUWFJFHSA-N 0 3 381.524 2.316 50 0 GEAAHN CC(C)C[C@H](NC(=O)c1coc2c1C(=O)CCC2)c1nnc2n1CCNCC2 ZINC000067965390 222169095 /nfs/dbraw/zinc/16/90/95/222169095.db2.gz SPBMTBPSQCGSHC-AWEZNQCLSA-N 0 3 385.468 2.053 50 0 GEAAHN O=C(c1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2c[nH]c(=O)[nH]c2=O)C1 ZINC000071552167 222185428 /nfs/dbraw/zinc/18/54/28/222185428.db2.gz UZVICTKNPFGHSD-GFCCVEGCSA-N 0 3 381.354 2.177 50 0 GEAAHN O=C(CN1CCCCCC1=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071711994 222187756 /nfs/dbraw/zinc/18/77/56/222187756.db2.gz FZGRRBLYDOBZKG-UEVCKROQSA-N 0 3 381.520 2.478 50 0 GEAAHN Cc1ccn2c(=O)cc(CN3CCC(=O)N(CC4CC4)[C@H](C(C)C)C3)nc2c1 ZINC000071771419 222196565 /nfs/dbraw/zinc/19/65/65/222196565.db2.gz ZETRMZFMERUYFH-IBGZPJMESA-N 0 3 382.508 2.472 50 0 GEAAHN CCn1cc(CN2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000072157457 222213006 /nfs/dbraw/zinc/21/30/06/222213006.db2.gz FOAZXVZZCLEFTO-NJYVYQBISA-N 0 3 376.545 2.242 50 0 GEAAHN CN1CCC(Cc2noc(-c3cn(C[C@@H]4COc5ccccc5O4)nn3)n2)CC1 ZINC000072155017 222213315 /nfs/dbraw/zinc/21/33/15/222213315.db2.gz CUXCPNXEHOOXNU-OAHLLOKOSA-N 0 3 396.451 2.052 50 0 GEAAHN CN(C)C1(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)Cc2ccccc2C1 ZINC000072295404 222220171 /nfs/dbraw/zinc/22/01/71/222220171.db2.gz QPOGCSUOZGXSMX-QFIPXVFZSA-N 0 3 393.531 2.103 50 0 GEAAHN Cc1nccn1CCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072474346 222265390 /nfs/dbraw/zinc/26/53/90/222265390.db2.gz DWPAAZYJFCUJBB-KSEOMHKRSA-N 0 3 380.492 2.376 50 0 GEAAHN Cc1ccc(-c2cc(Cn3ncc(N4CCCN(C)CC4)cc3=O)on2)cc1 ZINC000095518611 222345087 /nfs/dbraw/zinc/34/50/87/222345087.db2.gz XSZZAOAWXZIHFL-UHFFFAOYSA-N 0 3 379.464 2.397 50 0 GEAAHN CN1CCC(CN(CCc2ccccc2)C(=O)[C@H]2CCCCn3nnnc32)CC1 ZINC000095502703 222337209 /nfs/dbraw/zinc/33/72/09/222337209.db2.gz BKKPNWZAWLCZDN-FQEVSTJZSA-N 0 3 396.539 2.354 50 0 GEAAHN CN(C)CCNC(=O)Cn1c(=O)n(-c2ccccc2Cl)nc1-c1ccccc1 ZINC000077504537 222285178 /nfs/dbraw/zinc/28/51/78/222285178.db2.gz CFNSCPRENDPEEZ-UHFFFAOYSA-N 0 3 399.882 2.032 50 0 GEAAHN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000079020261 222300066 /nfs/dbraw/zinc/30/00/66/222300066.db2.gz SBIDSMGWOYWIFZ-LSDHHAIUSA-N 0 3 383.439 2.269 50 0 GEAAHN C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000079020254 222300565 /nfs/dbraw/zinc/30/05/65/222300565.db2.gz SBIDSMGWOYWIFZ-GJZGRUSLSA-N 0 3 383.439 2.269 50 0 GEAAHN CN(CCCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095515322 222344293 /nfs/dbraw/zinc/34/42/93/222344293.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 0 3 384.520 2.299 50 0 GEAAHN CN(CCCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095515321 222344720 /nfs/dbraw/zinc/34/47/20/222344720.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 0 3 384.520 2.299 50 0 GEAAHN CCC1CCN(Cc2cccc(OC)c2OC[C@H](O)CN2CCOCC2)CC1 ZINC000095518000 222344819 /nfs/dbraw/zinc/34/48/19/222344819.db2.gz QCEZTRZBUFREPE-HXUWFJFHSA-N 0 3 392.540 2.389 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)Cn2ccccc2=O)C1 ZINC000095524982 222347746 /nfs/dbraw/zinc/34/77/46/222347746.db2.gz SJRRRLQNIAZJSI-IBGZPJMESA-N 0 3 397.519 2.270 50 0 GEAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H](C)Cn1cccn1)CC2 ZINC000095523742 222348215 /nfs/dbraw/zinc/34/82/15/222348215.db2.gz YLLFTTVRTLELFW-KRWDZBQOSA-N 0 3 384.528 2.274 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)c2cc3c([nH]c2=O)CCCC3)C1 ZINC000095525144 222348684 /nfs/dbraw/zinc/34/86/84/222348684.db2.gz PPTSQQFUUODLGR-KRWDZBQOSA-N 0 3 397.523 2.032 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000095527537 222350656 /nfs/dbraw/zinc/35/06/56/222350656.db2.gz RDYPIKUFMBGELI-GFCCVEGCSA-N 0 3 384.406 2.206 50 0 GEAAHN O=C(c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1)N1CCNCC1 ZINC000095528413 222352075 /nfs/dbraw/zinc/35/20/75/222352075.db2.gz RFJZUFNNZVXHTG-UHFFFAOYSA-N 0 3 380.492 2.170 50 0 GEAAHN COc1ccc(-n2nc(-c3ccccn3)nc2CN2CCCN(C)CC2)cc1 ZINC000096137577 222386317 /nfs/dbraw/zinc/38/63/17/222386317.db2.gz ZEZKSKGSEQCORR-UHFFFAOYSA-N 0 3 378.480 2.475 50 0 GEAAHN CC[C@H]1CN(C(=O)c2ccc(-c3cc(C)ccc3OCC(N)=O)cc2)CCN1 ZINC000426505636 529281864 /nfs/dbraw/zinc/28/18/64/529281864.db2.gz FDOKSYFQZCLUNB-SFHVURJKSA-N 0 3 381.476 2.350 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000095477090 535567457 /nfs/dbraw/zinc/56/74/57/535567457.db2.gz QRIHRDFDEVNZEJ-OAHLLOKOSA-N 0 3 399.944 2.484 50 0 GEAAHN CN1CCN(c2ncc(CN(CCCO)[C@@H]3CCCc4ccccc43)cn2)CC1 ZINC000093741316 536426286 /nfs/dbraw/zinc/42/62/86/536426286.db2.gz GLVGMUZDJZUBBU-JOCHJYFZSA-N 0 3 395.551 2.490 50 0 GEAAHN COCCC(=O)N[C@@H](C)c1nnc2n1CCN(Cc1cc(C)cc(C)c1)CC2 ZINC000019839074 570224304 /nfs/dbraw/zinc/22/43/04/570224304.db2.gz YTWMXWWSUJFQHB-KRWDZBQOSA-N 0 3 385.512 2.167 50 0 GEAAHN COc1ccc(OCC(=O)NCC2(N3CCN(C)CC3)CCCCC2)cc1 ZINC000019902154 570228834 /nfs/dbraw/zinc/22/88/34/570228834.db2.gz DVKUULDMIOXLFZ-UHFFFAOYSA-N 0 3 375.513 2.141 50 0 GEAAHN CN(Cc1ccccc1)C(=O)c1nn(C)c2c1C[C@H](N1CCC(CO)CC1)CC2 ZINC000019939012 570232541 /nfs/dbraw/zinc/23/25/41/570232541.db2.gz MAYMNEXQVLIFSV-LJQANCHMSA-N 0 3 396.535 2.254 50 0 GEAAHN Nc1ncccc1CN1CCC2(CC1)CCN(C(=O)C1CCCC1)C[C@@H]2CO ZINC000097099353 570236669 /nfs/dbraw/zinc/23/66/69/570236669.db2.gz AFAVULMFIGDIMW-LJQANCHMSA-N 0 3 386.540 2.277 50 0 GEAAHN Cc1nn(C)cc1CN1CCC2(CC1)CCN(Cc1cscn1)C[C@H]2CO ZINC000097155778 570237859 /nfs/dbraw/zinc/23/78/59/570237859.db2.gz UDQQTKZMKRAQME-SFHVURJKSA-N 0 3 389.569 2.282 50 0 GEAAHN C[C@@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2CCS(=O)(=O)C2)C1 ZINC000048354916 570243066 /nfs/dbraw/zinc/24/30/66/570243066.db2.gz BJRODCVOCYYIBG-GPMSIDNRSA-N 0 3 378.538 2.215 50 0 GEAAHN O=C(Cn1[nH]c2ccccc2c1=O)NCCN1CCC[C@@H](c2ccccc2)C1 ZINC000097514966 570245360 /nfs/dbraw/zinc/24/53/60/570245360.db2.gz FRLBDCHVRYHHNS-GOSISDBHSA-N 0 3 378.476 2.325 50 0 GEAAHN CN1CCN([C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3)C[C@H]2O)CC1 ZINC000020254615 570250225 /nfs/dbraw/zinc/25/02/25/570250225.db2.gz HWRXEYKEJOKOIQ-DNQXCXABSA-N 0 3 395.547 2.448 50 0 GEAAHN O=C(CN1C[C@@H](c2ccccc2)CC1=O)N1CCC(N2CCSCC2)CC1 ZINC000020293642 570251979 /nfs/dbraw/zinc/25/19/79/570251979.db2.gz AFTGVIFUIMHPNB-SFHVURJKSA-N 0 3 387.549 2.042 50 0 GEAAHN COc1ccc(OC)c([C@H](C)NC(=O)C(C)S(=O)(=O)Cc2cc(C)on2)c1 ZINC000046155260 570269471 /nfs/dbraw/zinc/26/94/71/570269471.db2.gz LFBPJRNXFWVVFU-QWHCGFSZSA-N 0 3 396.465 2.181 50 0 GEAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1[nH]c2ccccc2c1Cl ZINC000215217190 570286322 /nfs/dbraw/zinc/28/63/22/570286322.db2.gz ZPUYXUASGIJOOU-ZDUSSCGKSA-N 0 3 376.888 2.494 50 0 GEAAHN CCOC(=O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@@H](C)S2 ZINC000021297413 570290078 /nfs/dbraw/zinc/29/00/78/570290078.db2.gz XWZXETKTFKCCPB-SNVBAGLBSA-N 0 3 377.441 2.351 50 0 GEAAHN COc1ccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)cc1 ZINC000021793626 570296004 /nfs/dbraw/zinc/29/60/04/570296004.db2.gz NUMBXWYEPOEQHO-UHFFFAOYSA-N 0 3 381.480 2.356 50 0 GEAAHN CCN1C(=O)C(=C(C)NCc2ccccc2CN(C)C)C(=O)N(CC)C1=S ZINC000023653050 570368256 /nfs/dbraw/zinc/36/82/56/570368256.db2.gz WTOKMMFZSOHSMI-UHFFFAOYSA-N 0 3 388.537 2.107 50 0 GEAAHN Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCCC[C@H]4C)c3c2c1 ZINC000004961868 570383297 /nfs/dbraw/zinc/38/32/97/570383297.db2.gz USKBDQJYWLECKS-OAHLLOKOSA-N 0 3 382.464 2.442 50 0 GEAAHN CN(C(=O)CN[C@H](Cc1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC000024733987 570390551 /nfs/dbraw/zinc/39/05/51/570390551.db2.gz YQIDJTIKRQJGRA-VQTJNVASSA-N 0 3 386.517 2.206 50 0 GEAAHN CC(C)CCC(=O)NCC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 ZINC000242164663 570432031 /nfs/dbraw/zinc/43/20/31/570432031.db2.gz WWVDNULLJZDQND-FQEVSTJZSA-N 0 3 388.556 2.034 50 0 GEAAHN CCc1ccc([C@H](CNC(=O)CN2C(=O)COc3ccccc32)N(C)C)cc1 ZINC000027596211 570437582 /nfs/dbraw/zinc/43/75/82/570437582.db2.gz FSIUTNPCWPPWQI-IBGZPJMESA-N 0 3 381.476 2.394 50 0 GEAAHN CCCCCC(=O)N1CCN(c2nc(C[NH+]3CCC(C)CC3)cc(=O)[n-]2)CC1 ZINC000035926358 570479545 /nfs/dbraw/zinc/47/95/45/570479545.db2.gz FHLFMHIHFSCIRL-UHFFFAOYSA-N 0 3 389.544 2.231 50 0 GEAAHN COc1ccc(CCN[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 ZINC000022364296 570538624 /nfs/dbraw/zinc/53/86/24/570538624.db2.gz UPYKCSUZENRGLL-IBGZPJMESA-N 0 3 381.432 2.118 50 0 GEAAHN Cc1cc(C)c2c(n1)SCC(=O)N2CC(=O)NCCN1CCCCCC1 ZINC000006802852 570605228 /nfs/dbraw/zinc/60/52/28/570605228.db2.gz QIQWGXXDCWKIDC-UHFFFAOYSA-N 0 3 376.526 2.129 50 0 GEAAHN Cc1ccccc1COc1ccccc1CNCCNC(=O)c1nonc1N ZINC000040744480 570613501 /nfs/dbraw/zinc/61/35/01/570613501.db2.gz LEJUIQPKBRNGDT-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN C[NH2+]C1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CC1 ZINC000048179559 570656233 /nfs/dbraw/zinc/65/62/33/570656233.db2.gz KDKPKJLTVBYPNJ-UHFFFAOYSA-N 0 3 392.507 2.060 50 0 GEAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@H+]3CCC[C@H](CO)C3)cc2)[n-]1 ZINC000048319802 570657128 /nfs/dbraw/zinc/65/71/28/570657128.db2.gz YNWNCFNPVHYZHG-SFHVURJKSA-N 0 3 393.491 2.080 50 0 GEAAHN O=c1cc(CCn2cccn2)nc(-c2ccc(C[N@@H+]3CCC[C@H](CO)C3)cc2)[n-]1 ZINC000048319802 570657133 /nfs/dbraw/zinc/65/71/33/570657133.db2.gz YNWNCFNPVHYZHG-SFHVURJKSA-N 0 3 393.491 2.080 50 0 GEAAHN CC1(C)[C@@H](C(F)(F)F)CCN1CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000240278275 570684968 /nfs/dbraw/zinc/68/49/68/570684968.db2.gz DPYVEOBBGLBACZ-ZDUSSCGKSA-N 0 3 393.431 2.325 50 0 GEAAHN CCCN1CCN(C(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 ZINC000065256243 570755279 /nfs/dbraw/zinc/75/52/79/570755279.db2.gz BUUPRQQXMZGHAA-NRFANRHFSA-N 0 3 393.535 2.400 50 0 GEAAHN CCCN(CCC)CC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 ZINC000036744630 570806019 /nfs/dbraw/zinc/80/60/19/570806019.db2.gz PHFYHXIDNNGBSM-UHFFFAOYSA-N 0 3 388.556 2.454 50 0 GEAAHN Oc1c2onc(-c3ccccc3Cl)c2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101194647 570816584 /nfs/dbraw/zinc/81/65/84/570816584.db2.gz RRTAEMJYPVNKDX-WBVHZDCISA-N 0 3 384.775 2.404 50 0 GEAAHN CCOc1ccc([C@@H]2NC(=O)N(C)C3=C2C(=O)N(CCN2CCCCC2)C3)cc1 ZINC000004346628 570829153 /nfs/dbraw/zinc/82/91/53/570829153.db2.gz ZDVCEHSTKCMPDH-FQEVSTJZSA-N 0 3 398.507 2.364 50 0 GEAAHN CC(C)(C)OC[C@H](O)CN1CCc2nc(Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000004720301 570859698 /nfs/dbraw/zinc/85/96/98/570859698.db2.gz LYGPEQMKZQTBTK-OAHLLOKOSA-N 0 3 389.471 2.034 50 0 GEAAHN Fc1cc(CNC[C@H]2CN(Cc3ccccc3)CCO2)ccc1-n1cncn1 ZINC000032900926 570897282 /nfs/dbraw/zinc/89/72/82/570897282.db2.gz NSMDHZKVVDQUNS-IBGZPJMESA-N 0 3 381.455 2.397 50 0 GEAAHN O=C(CNC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000236589041 570943184 /nfs/dbraw/zinc/94/31/84/570943184.db2.gz XMDHHJOOLZSQGR-XJKSGUPXSA-N 0 3 383.286 2.118 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC[C@H]1CC[NH2+]C1 ZINC000110796885 570952947 /nfs/dbraw/zinc/95/29/47/570952947.db2.gz KPLOGWYZDXVENS-SECBINFHSA-N 0 3 397.722 2.389 50 0 GEAAHN Cc1c(C(=O)N(C)C2CCN(C)CC2)nnn1-c1ccc(OC(F)F)cc1 ZINC000108763447 570991206 /nfs/dbraw/zinc/99/12/06/570991206.db2.gz UOAWDXYNKVRUJD-UHFFFAOYSA-N 0 3 379.411 2.343 50 0 GEAAHN COCCCN1CC2(CCC1=O)CCN(Cc1[nH]cc(C)c(=O)c1C)CC2 ZINC000091444607 571008656 /nfs/dbraw/zinc/00/86/56/571008656.db2.gz RGZOTGMGHJQOLP-UHFFFAOYSA-N 0 3 375.513 2.233 50 0 GEAAHN CN1CCCCC[C@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000091474069 571009884 /nfs/dbraw/zinc/00/98/84/571009884.db2.gz XQUZNKFMAQWJJL-NSHDSACASA-N 0 3 377.436 2.080 50 0 GEAAHN CC(C)N1CCC[C@@]2(CCN(Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000091626245 571020358 /nfs/dbraw/zinc/02/03/58/571020358.db2.gz YBINGNRALRSTTK-IBGZPJMESA-N 0 3 378.542 2.203 50 0 GEAAHN O=C(c1ccc([C@@H]2CCCO2)s1)N1CCC(N2CCNC(=O)CC2)CC1 ZINC000091706370 571026774 /nfs/dbraw/zinc/02/67/74/571026774.db2.gz SUOIERVTWSDKST-HNNXBMFYSA-N 0 3 377.510 2.026 50 0 GEAAHN C[C@H](C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1)N1CCCC1 ZINC000091819563 571031740 /nfs/dbraw/zinc/03/17/40/571031740.db2.gz DORGSGGIXUHRIG-GOSISDBHSA-N 0 3 384.524 2.297 50 0 GEAAHN CN1CCN(CCCC(=O)c2ccc(F)cc2)C[C@@]12CCC(=O)N(C)CC2 ZINC000092037563 571042123 /nfs/dbraw/zinc/04/21/23/571042123.db2.gz LMAIHIOXQRMBOE-NRFANRHFSA-N 0 3 375.488 2.417 50 0 GEAAHN CCN1CCN(C2CCN(C(=O)[C@@H](c3ccccc3F)N(C)C)CC2)CC1 ZINC000095362702 571056690 /nfs/dbraw/zinc/05/66/90/571056690.db2.gz VSSJAWIUQHNFQY-HXUWFJFHSA-N 0 3 376.520 2.057 50 0 GEAAHN Cc1cc(C)n2nc(C(=O)N3C[C@H]4CC[C@@H]3CN(C3CCOCC3)C4)cc2n1 ZINC000095368774 571059739 /nfs/dbraw/zinc/05/97/39/571059739.db2.gz OROPIYKQVXCDIQ-FUHWJXTLSA-N 0 3 383.496 2.062 50 0 GEAAHN Cc1ccc([C@@H]2CN(C(=O)c3ccc(=O)n(C)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095382156 571068317 /nfs/dbraw/zinc/06/83/17/571068317.db2.gz RINARNKQHHFUFH-KSEOMHKRSA-N 0 3 377.488 2.396 50 0 GEAAHN CCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1nccnc1C(=O)N1CCCCC1)C2 ZINC000095384476 571069578 /nfs/dbraw/zinc/06/95/78/571069578.db2.gz ZOQYLGOPWVUYBG-IAGOWNOFSA-N 0 3 385.512 2.049 50 0 GEAAHN Cn1cc(CCN2CCC3(CCC(=O)N(CCc4ccccn4)C3)CC2)cn1 ZINC000092062155 230973497 /nfs/dbraw/zinc/97/34/97/230973497.db2.gz QYADKTSKIBXTDV-UHFFFAOYSA-N 0 3 381.524 2.305 50 0 GEAAHN Cc1c2[nH]cnc2cc(NC(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)c1C ZINC000426697580 231252688 /nfs/dbraw/zinc/25/26/88/231252688.db2.gz SOPRHYSULJEVGB-HNNXBMFYSA-N 0 3 386.500 2.244 50 0 GEAAHN Cc1c2nc[nH]c2cc(NC(=O)NCC[C@@H]2CCC(=O)N2CCN(C)C)c1C ZINC000426697580 231252692 /nfs/dbraw/zinc/25/26/92/231252692.db2.gz SOPRHYSULJEVGB-HNNXBMFYSA-N 0 3 386.500 2.244 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000006785978 531532375 /nfs/dbraw/zinc/53/23/75/531532375.db2.gz JMLDEGODXQHNIE-UHFFFAOYSA-N 0 3 381.885 2.432 50 0 GEAAHN COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CC[NH2+]CC1 ZINC000036286187 531659912 /nfs/dbraw/zinc/65/99/12/531659912.db2.gz CUEYNQAFHLHOKM-UHFFFAOYSA-N 0 3 383.695 2.141 50 0 GEAAHN COc1ccc(S(=O)(=O)N2CCCSC[C@@H]2CN2CCCC2)cc1F ZINC000090609039 531923063 /nfs/dbraw/zinc/92/30/63/531923063.db2.gz AEBBGRYAFPAJTL-AWEZNQCLSA-N 0 3 388.530 2.426 50 0 GEAAHN CN([C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C1CCN(C)CC1 ZINC000000847574 212187952 /nfs/dbraw/zinc/18/79/52/212187952.db2.gz XDKJCSBUXWAHAE-OAHLLOKOSA-N 0 3 380.286 2.107 50 0 GEAAHN O=C(NCCN1CCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000007784807 221012118 /nfs/dbraw/zinc/01/21/18/221012118.db2.gz UTYAPLULBGTRAV-UHFFFAOYSA-N 0 3 376.460 2.270 50 0 GEAAHN Cc1nn2cnnc2c(C)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009689419 221090112 /nfs/dbraw/zinc/09/01/12/221090112.db2.gz SDOUXRIXPGKOPW-UHFFFAOYSA-N 0 3 392.507 2.455 50 0 GEAAHN COc1ccccc1CCN1CCC[C@@H](CN(C)C(=O)CCCn2cncn2)C1 ZINC000011775180 221125170 /nfs/dbraw/zinc/12/51/70/221125170.db2.gz ATVMOEZOZHZCJE-IBGZPJMESA-N 0 3 399.539 2.480 50 0 GEAAHN COc1ccc(CCN2C[C@H](NCc3ccc4c(c3)OCCO4)CC2=O)cc1 ZINC000011951848 221140440 /nfs/dbraw/zinc/14/04/40/221140440.db2.gz RSFQTQLJFWPAMR-GOSISDBHSA-N 0 3 382.460 2.400 50 0 GEAAHN CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CNC[C@@H]1COCCO1 ZINC000012302687 221178502 /nfs/dbraw/zinc/17/85/02/221178502.db2.gz FOYQVZWRPFAIDF-GOSISDBHSA-N 0 3 394.475 2.112 50 0 GEAAHN CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cnc3ccccn3c2=O)C1 ZINC000012469740 221199318 /nfs/dbraw/zinc/19/93/18/221199318.db2.gz OWRGFIMBCOMCJP-GOSISDBHSA-N 0 3 376.460 2.431 50 0 GEAAHN O=C(NCCN1CCCCC1)[C@@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012704419 221219099 /nfs/dbraw/zinc/21/90/99/221219099.db2.gz UOLIMACYRFESAQ-GOSISDBHSA-N 0 3 375.488 2.209 50 0 GEAAHN COc1ccc([C@H](CNC(=O)Cn2nnc3ccccc32)N2CCCC2)cc1 ZINC000012924915 221246858 /nfs/dbraw/zinc/24/68/58/221246858.db2.gz AAUBUDZNJXOKGF-FQEVSTJZSA-N 0 3 379.464 2.393 50 0 GEAAHN Cn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1)C2 ZINC000014540666 221312147 /nfs/dbraw/zinc/31/21/47/221312147.db2.gz CZXBLIFQJGWZKK-INIZCTEOSA-N 0 3 388.512 2.395 50 0 GEAAHN CCn1nc(C(=O)N2CCCC2)c2c1CC[C@H](N(CCO)Cc1ccccc1)C2 ZINC000014753878 221315461 /nfs/dbraw/zinc/31/54/61/221315461.db2.gz CFHZVLGTEUDVOG-IBGZPJMESA-N 0 3 396.535 2.491 50 0 GEAAHN Cc1c(CN[C@H]2CCCN(c3ncccn3)C2)c(=O)n(-c2ccccc2)n1C ZINC000015065501 221329631 /nfs/dbraw/zinc/32/96/31/221329631.db2.gz JISLVKNDOXJTIE-KRWDZBQOSA-N 0 3 378.480 2.033 50 0 GEAAHN CCN(Cc1nccn1C)C(=O)c1ccc(N(C)C[C@H]2CCCCN2C)nc1 ZINC000015069521 221329683 /nfs/dbraw/zinc/32/96/83/221329683.db2.gz SLAHACRLPPTJQI-GOSISDBHSA-N 0 3 384.528 2.398 50 0 GEAAHN CC(C)Cc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCN1CCCCC1 ZINC000015883697 221351157 /nfs/dbraw/zinc/35/11/57/221351157.db2.gz ARFAFDCYYOWYFV-UHFFFAOYSA-N 0 3 390.553 2.409 50 0 GEAAHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 ZINC000018223090 221390865 /nfs/dbraw/zinc/39/08/65/221390865.db2.gz QKRPXDDWEYEHBP-QGZVFWFLSA-N 0 3 377.400 2.361 50 0 GEAAHN CC(C)c1cc(N2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)nc(C(F)(F)F)n1 ZINC000071760450 136166234 /nfs/dbraw/zinc/16/62/34/136166234.db2.gz DYDZXABJDLBVTF-HUUCEWRRSA-N 0 3 388.434 2.015 50 0 GEAAHN O=C(N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1)C1(O)CCCC1 ZINC000072157940 136167117 /nfs/dbraw/zinc/16/71/17/136167117.db2.gz FBYBBURAYIJSPZ-IBGZPJMESA-N 0 3 375.488 2.244 50 0 GEAAHN CC(=O)NCCN1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072166821 136167365 /nfs/dbraw/zinc/16/73/65/136167365.db2.gz IBCCDMKQNAKNMP-IBGZPJMESA-N 0 3 398.473 2.428 50 0 GEAAHN Cc1nc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)c[nH]1 ZINC000095521199 136181248 /nfs/dbraw/zinc/18/12/48/136181248.db2.gz DWNKTIIBTKZDDA-LJQANCHMSA-N 0 3 396.539 2.454 50 0 GEAAHN Cc1ncc(CN2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)[nH]1 ZINC000095521199 136181249 /nfs/dbraw/zinc/18/12/49/136181249.db2.gz DWNKTIIBTKZDDA-LJQANCHMSA-N 0 3 396.539 2.454 50 0 GEAAHN CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000058316131 222049402 /nfs/dbraw/zinc/04/94/02/222049402.db2.gz KFPDHYZPZSYHHW-WOJBJXKFSA-N 0 3 378.513 2.463 50 0 GEAAHN CC[C@H](C(=O)NCCN1CCCC1)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064787520 222081738 /nfs/dbraw/zinc/08/17/38/222081738.db2.gz QBTRUHLUAWGOSE-QGZVFWFLSA-N 0 3 381.480 2.051 50 0 GEAAHN CC1(C)CC(=O)c2cnc3c(C(=O)NCCN4CCCCCC4)cnn3c2C1 ZINC000064987472 222092326 /nfs/dbraw/zinc/09/23/26/222092326.db2.gz AOBDEUHTJQILJR-UHFFFAOYSA-N 0 3 383.496 2.490 50 0 GEAAHN Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC000065329562 222122876 /nfs/dbraw/zinc/12/28/76/222122876.db2.gz AMASODLUFIZSCW-QGZVFWFLSA-N 0 3 394.475 2.395 50 0 GEAAHN Cc1ccc(Cl)cc1N([C@H](C)C(=O)NC1CCN(C)CC1)S(C)(=O)=O ZINC000065363785 222125205 /nfs/dbraw/zinc/12/52/05/222125205.db2.gz QIZGACAAJZDFTR-CYBMUJFWSA-N 0 3 387.933 2.013 50 0 GEAAHN CN1CCC(n2ncc3c2NC(=O)C[C@H]3Cn2c3ccccc3oc2=O)CC1 ZINC000065461230 222129130 /nfs/dbraw/zinc/12/91/30/222129130.db2.gz HAQUAOBPGJHJSB-ZDUSSCGKSA-N 0 3 381.436 2.184 50 0 GEAAHN Cn1cnc(NC(=O)c2cccc(CN3CCC(Cn4cccn4)CC3)c2)n1 ZINC000065501504 222131167 /nfs/dbraw/zinc/13/11/67/222131167.db2.gz NPTVTLKPBHQYAS-UHFFFAOYSA-N 0 3 379.468 2.176 50 0 GEAAHN CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)CC1 ZINC000068204276 222171751 /nfs/dbraw/zinc/17/17/51/222171751.db2.gz YAMSXCOVJUUMCT-YADHBBJMSA-N 0 3 379.504 2.485 50 0 in-vitro GEAAHN Cc1nc(SCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n[nH]1 ZINC000071415776 222182856 /nfs/dbraw/zinc/18/28/56/222182856.db2.gz HWXIQTADTXRGTA-QXAKKESOSA-N 0 3 383.521 2.294 50 0 GEAAHN Cc1nnc(SCC(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)[nH]1 ZINC000071415776 222182863 /nfs/dbraw/zinc/18/28/63/222182863.db2.gz HWXIQTADTXRGTA-QXAKKESOSA-N 0 3 383.521 2.294 50 0 GEAAHN COc1ccccc1[C@@H]1CN(c2ncccc2C(N)=O)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072125663 222209253 /nfs/dbraw/zinc/20/92/53/222209253.db2.gz ZWZXPIQGRRGDJI-DFQSSKMNSA-N 0 3 378.476 2.256 50 0 GEAAHN O=C(c1ccccc1OCc1ccccc1)N1CCO[C@]2(C1)CNCCOC2 ZINC000072123995 222209284 /nfs/dbraw/zinc/20/92/84/222209284.db2.gz HPCOSRAJUJYMMS-QFIPXVFZSA-N 0 3 382.460 2.097 50 0 GEAAHN Cc1ccc2[nH]nc(C(=O)N3CCC4(CC3)c3ccccc3[C@@H](N)[C@@H]4O)c2c1 ZINC000072138752 222210486 /nfs/dbraw/zinc/21/04/86/222210486.db2.gz XGANHYZMCXLDOB-QUCCMNQESA-N 0 3 376.460 2.420 50 0 GEAAHN O=C(CCCn1cnnn1)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000072418792 222256383 /nfs/dbraw/zinc/25/63/83/222256383.db2.gz WFXUKANXKZQYND-NRFANRHFSA-N 0 3 382.512 2.358 50 0 GEAAHN CN(Cc1ccccc1-n1cccn1)C(=O)CCc1cc2n(n1)CCCNC2 ZINC000072421755 222256840 /nfs/dbraw/zinc/25/68/40/222256840.db2.gz FEUGQBQHJRHVPM-UHFFFAOYSA-N 0 3 378.480 2.153 50 0 GEAAHN O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000085877915 222325951 /nfs/dbraw/zinc/32/59/51/222325951.db2.gz NCIJXIRMWSDSKD-KGLIPLIRSA-N 0 3 382.851 2.129 50 0 GEAAHN CCN(CCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503681 222335514 /nfs/dbraw/zinc/33/55/14/222335514.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 0 3 384.520 2.299 50 0 GEAAHN COc1cccc(CN(C)CC(C)(C)C)c1OC[C@@H](O)CN1CCOCC1 ZINC000095504487 222336549 /nfs/dbraw/zinc/33/65/49/222336549.db2.gz GGHQVGRBZWRSFQ-SFHVURJKSA-N 0 3 380.529 2.245 50 0 GEAAHN COc1cc(CN(C)Cc2c[nH]nc2C)ccc1OC[C@H](O)CN1CCCC1 ZINC000095512966 222341571 /nfs/dbraw/zinc/34/15/71/222341571.db2.gz JOCSGUINKUENMU-LJQANCHMSA-N 0 3 388.512 2.194 50 0 GEAAHN CN(C)CCNC(=O)CCC1CCN(C(=O)NCc2ccccc2F)CC1 ZINC000095510916 222341889 /nfs/dbraw/zinc/34/18/89/222341889.db2.gz MAVGUDZURQRBGI-UHFFFAOYSA-N 0 3 378.492 2.205 50 0 GEAAHN CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NC[C@@H]2CCCCN2C)C1 ZINC000077564304 222284779 /nfs/dbraw/zinc/28/47/79/222284779.db2.gz PUFFKQJEEOFSFN-INIZCTEOSA-N 0 3 380.496 2.339 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1-n1cnnn1 ZINC000079475646 222304501 /nfs/dbraw/zinc/30/45/01/222304501.db2.gz FYYWRHLQGUMGDT-UHFFFAOYSA-N 0 3 380.427 2.196 50 0 GEAAHN CN(C)CCN1C[C@]2(CCCN(C(=O)CCc3ccsc3)C2)CCC1=O ZINC000082086652 222308738 /nfs/dbraw/zinc/30/87/38/222308738.db2.gz CUDUKPFWDWUSNX-HXUWFJFHSA-N 0 3 377.554 2.474 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@@H]1Cc3ccccc3O1)CC2 ZINC000095517143 222344711 /nfs/dbraw/zinc/34/47/11/222344711.db2.gz LMSKEEHNZMHRPG-IBGZPJMESA-N 0 3 380.492 2.499 50 0 GEAAHN Cc1n[nH]c(C)c1[C@H](N)C(=O)N(CCc1ccccc1)CC1CCN(C)CC1 ZINC000095524906 222348239 /nfs/dbraw/zinc/34/82/39/222348239.db2.gz HAMCQAZCOHQKRK-NRFANRHFSA-N 0 3 383.540 2.439 50 0 GEAAHN CN(CCCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524993 222348495 /nfs/dbraw/zinc/34/84/95/222348495.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 0 3 384.520 2.299 50 0 GEAAHN COc1cc(CN2CCCCC23CC3)ccc1OC[C@@H](O)CN1CCOCC1 ZINC000095529538 222353302 /nfs/dbraw/zinc/35/33/02/222353302.db2.gz BIMSOTOFENCQBJ-IBGZPJMESA-N 0 3 390.524 2.286 50 0 GEAAHN O=C(Nc1cccc2cccnc21)N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000095971807 222367063 /nfs/dbraw/zinc/36/70/63/222367063.db2.gz UEIIYRUSDFOJQF-INIZCTEOSA-N 0 3 388.493 2.008 50 0 GEAAHN CCn1c(Cn2cncn2)nnc1C1CCN(Cc2ccccc2OC)CC1 ZINC000096141919 222388446 /nfs/dbraw/zinc/38/84/46/222388446.db2.gz HKFGYGDOBCLBHV-UHFFFAOYSA-N 0 3 381.484 2.326 50 0 GEAAHN Cc1nccnc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CCC1 ZINC000096162219 222393007 /nfs/dbraw/zinc/39/30/07/222393007.db2.gz VPVWVTHQTXINGH-UHFFFAOYSA-N 0 3 380.496 2.184 50 0 GEAAHN COc1ccccc1-n1cc(CN2CCC[C@H](c3ccn(CCO)n3)C2)cn1 ZINC000426428760 533928587 /nfs/dbraw/zinc/92/85/87/533928587.db2.gz KDPIDVTYTSTGBM-SFHVURJKSA-N 0 3 381.480 2.449 50 0 GEAAHN OCC1CCN(Cc2ccccc2NCc2nnn(CC(F)(F)F)n2)CC1 ZINC000253418886 534353744 /nfs/dbraw/zinc/35/37/44/534353744.db2.gz CTMUSRZEWRHFQZ-UHFFFAOYSA-N 0 3 384.406 2.052 50 0 GEAAHN Cn1c(CN2CCCC2)nnc1[C@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000426509887 534687906 /nfs/dbraw/zinc/68/79/06/534687906.db2.gz FJGIFVPZEAFZSJ-INIZCTEOSA-N 0 3 381.484 2.327 50 0 GEAAHN Cn1c(C[C@@H](NC[C@H](O)CN2CCOCC2)c2ccccc2)nc2ccccc21 ZINC000012809782 570221775 /nfs/dbraw/zinc/22/17/75/570221775.db2.gz SKOWXVTURZPSQT-PZJWPPBQSA-N 0 3 394.519 2.140 50 0 GEAAHN Cc1ccccc1N(CC(=O)N[C@H](CN(C)C)c1ccccc1)S(C)(=O)=O ZINC000048323988 570235665 /nfs/dbraw/zinc/23/56/65/570235665.db2.gz XSYLBXOPHOVWDZ-GOSISDBHSA-N 0 3 389.521 2.180 50 0 GEAAHN COc1cccc(CCNCc2c(C(=O)N3CCOCC3)nc3ccccn32)c1 ZINC000020110116 570240752 /nfs/dbraw/zinc/24/07/52/570240752.db2.gz PFVXIRIKLZAMPI-UHFFFAOYSA-N 0 3 394.475 2.148 50 0 GEAAHN COc1ccc(CC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1OC ZINC000053236213 570243192 /nfs/dbraw/zinc/24/31/92/570243192.db2.gz GLUVONKYRPFDHL-UHFFFAOYSA-N 0 3 397.519 2.310 50 0 GEAAHN Cc1ncc(CN2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CCC2)n1C ZINC000097636433 570248036 /nfs/dbraw/zinc/24/80/36/570248036.db2.gz MHDPGMFABCLZTF-UHFFFAOYSA-N 0 3 382.512 2.128 50 0 GEAAHN CN(C)CCN1C(=O)CC[C@H]1CCNC(=O)c1c[nH]nc1C1CCCCC1 ZINC000097759198 570252927 /nfs/dbraw/zinc/25/29/27/570252927.db2.gz AUQWABVKXSYIFA-INIZCTEOSA-N 0 3 375.517 2.130 50 0 GEAAHN COCCN1CCC[C@@H](CN(C)C(=O)Nc2cccc(N(C)C(C)=O)c2)C1 ZINC000097785279 570255980 /nfs/dbraw/zinc/25/59/80/570255980.db2.gz KEODKBDBHVSKIZ-KRWDZBQOSA-N 0 3 376.501 2.491 50 0 GEAAHN CC(C)/C=C/CN1CCc2nnc([C@@H](NC(=O)[C@H]3CCOC3)C(C)C)n2CC1 ZINC000107435107 570261371 /nfs/dbraw/zinc/26/13/71/570261371.db2.gz DKAIPGSUNOHTEA-DDUKWOAZSA-N 0 3 389.544 2.198 50 0 GEAAHN Cc1cc(C)nc(N2CCC(N[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)n1 ZINC000101163766 570281486 /nfs/dbraw/zinc/28/14/86/570281486.db2.gz RDRKEYRNJLYXBX-GOSISDBHSA-N 0 3 397.454 2.123 50 0 GEAAHN CC(C)[C@@H](NCC(=O)N1C[C@@H](C(N)=O)Oc2ccccc21)c1ccc(F)cc1 ZINC000012900301 570288031 /nfs/dbraw/zinc/28/80/31/570288031.db2.gz WBYLJQTVUSLQNT-AZUAARDMSA-N 0 3 385.439 2.392 50 0 GEAAHN Cc1cc(C)n(-c2cccc(CN3CCN(C)[C@@]4(C3)CCNC(=O)CC4)c2)n1 ZINC000107402394 570309331 /nfs/dbraw/zinc/30/93/31/570309331.db2.gz QYQDVUXDOIDAPF-JOCHJYFZSA-N 0 3 381.524 2.275 50 0 GEAAHN Cc1cccc(-c2ncc(CN3CCN(C)[C@@]4(C3)CCNC(=O)CC4)cn2)c1 ZINC000107413163 570309384 /nfs/dbraw/zinc/30/93/84/570309384.db2.gz NNCDHGNYXFNCRI-JOCHJYFZSA-N 0 3 379.508 2.238 50 0 GEAAHN CC[C@H](C(=O)NCCCN(C)Cc1ccccc1)N1c2cc(C)nn2CCC1=O ZINC000035374395 570346428 /nfs/dbraw/zinc/34/64/28/570346428.db2.gz CMVRXKPVVSWUGO-LJQANCHMSA-N 0 3 397.523 2.345 50 0 GEAAHN O=C(CN1C(=O)CCCC1=O)N1CCC[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000023158349 570347389 /nfs/dbraw/zinc/34/73/89/570347389.db2.gz RUAJNLJBTPYUGX-QHCPKHFHSA-N 0 3 397.519 2.430 50 0 GEAAHN CN(Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1 ZINC000023340116 570355695 /nfs/dbraw/zinc/35/56/95/570355695.db2.gz HZDXGYYVDQSDTL-NRFANRHFSA-N 0 3 390.491 2.458 50 0 GEAAHN O=C(c1[nH]nc2ccccc21)N1CCC[C@@H](Cn2cc(CN3CCCC3)nn2)C1 ZINC000023379819 570358807 /nfs/dbraw/zinc/35/88/07/570358807.db2.gz KNKSMUQQKJQZBU-MRXNPFEDSA-N 0 3 393.495 2.303 50 0 GEAAHN Cc1ccc2nc(C)cc(C(=O)N3CCC(Cn4cc(CN)nn4)CC3)c2c1 ZINC000023581424 570365942 /nfs/dbraw/zinc/36/59/42/570365942.db2.gz TWWJERXTSOXEIB-UHFFFAOYSA-N 0 3 378.480 2.454 50 0 GEAAHN CCN(C)S(=O)(=O)N(C)C[C@H]1CCCN(CCc2ccccc2OC)C1 ZINC000244723466 570433217 /nfs/dbraw/zinc/43/32/17/570433217.db2.gz MBZSNAVEGNUTMO-QGZVFWFLSA-N 0 3 383.558 2.078 50 0 GEAAHN COc1cc2c(cc1OC)[C@@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@@H]6[C@H]5C[C@H]43 ZINC000005512980 570443629 /nfs/dbraw/zinc/44/36/29/570443629.db2.gz RRKTZKIUPZVBMF-WFXKVTKYSA-N 0 3 394.471 2.110 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000029562868 570476283 /nfs/dbraw/zinc/47/62/83/570476283.db2.gz HAORQHMMFDCELC-UHFFFAOYSA-N 0 3 378.432 2.435 50 0 GEAAHN CCOC(=O)N1CCC(N2CCN(CCc3ccccc3)[C@H](CCO)C2)CC1 ZINC000039531336 570593453 /nfs/dbraw/zinc/59/34/53/570593453.db2.gz GEVYKBMUBVGFRW-OAQYLSRUSA-N 0 3 389.540 2.219 50 0 GEAAHN Cc1nccn1CCC(=O)N1CCC[C@@H](N2CCN(c3ccccc3)CC2)C1 ZINC000042496570 570620522 /nfs/dbraw/zinc/62/05/22/570620522.db2.gz JSHOPAOHVNQDQP-OAQYLSRUSA-N 0 3 381.524 2.395 50 0 GEAAHN COc1cccc(CN2CCN(C(=O)C(C)(C)C)CC2)c1OCCN(C)C ZINC000055072661 570681541 /nfs/dbraw/zinc/68/15/41/570681541.db2.gz JHPLCGASEDWIAK-UHFFFAOYSA-N 0 3 377.529 2.326 50 0 GEAAHN NC(=O)C1CCN(C(=O)C2CCN(C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000241719957 570687441 /nfs/dbraw/zinc/68/74/41/570687441.db2.gz QRBKANPMRICVFN-IBGZPJMESA-N 0 3 391.556 2.304 50 0 GEAAHN CCCN1CCN(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)CC1 ZINC000248081922 570720512 /nfs/dbraw/zinc/72/05/12/570720512.db2.gz QKOAKWIVMLLXHV-GOSISDBHSA-N 0 3 383.540 2.340 50 0 GEAAHN CN(C)CCN1C(=O)c2cc3occc3n2C[C@]1(C)C(=O)NC1CCCCC1 ZINC000021810662 570746408 /nfs/dbraw/zinc/74/64/08/570746408.db2.gz UIUXNOGSSNCIDE-OAQYLSRUSA-N 0 3 386.496 2.459 50 0 GEAAHN COc1ccc(-n2c(O)c3onc(-c4ccc(OC)cc4OC)c3c2O)cc1 ZINC000101358941 570820185 /nfs/dbraw/zinc/82/01/85/570820185.db2.gz RPILUIRERNLRNA-SJLPKXTDSA-N 0 3 382.372 2.005 50 0 GEAAHN CN(CCCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)Cc1ccccc1 ZINC000032814251 570834883 /nfs/dbraw/zinc/83/48/83/570834883.db2.gz MINGPQTZBHTOQU-UHFFFAOYSA-N 0 3 387.505 2.372 50 0 GEAAHN C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000007486458 570850735 /nfs/dbraw/zinc/85/07/35/570850735.db2.gz HGTMQMBRCZXWTK-HNNXBMFYSA-N 0 3 399.944 2.047 50 0 GEAAHN CNc1nnc(CC(=O)NCC2CCN(Cc3ccccc3F)CC2)s1 ZINC000170595215 570852627 /nfs/dbraw/zinc/85/26/27/570852627.db2.gz ACKHREKSAUOPDP-UHFFFAOYSA-N 0 3 377.489 2.290 50 0 GEAAHN COCCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1cccc(OC)c1)CC2 ZINC000014740706 570857781 /nfs/dbraw/zinc/85/77/81/570857781.db2.gz WYUPSNWXMCPJRL-UHFFFAOYSA-N 0 3 389.496 2.349 50 0 GEAAHN CN(CCC(=O)Nc1sccc1C(N)=O)Cc1ccc2c(c1)OCCO2 ZINC000032870805 570868561 /nfs/dbraw/zinc/86/85/61/570868561.db2.gz LUHZSSCIIOEZCQ-UHFFFAOYSA-N 0 3 375.450 2.079 50 0 GEAAHN CCN(CC)[C@H](CNC(=O)N1CCC(N2CCOCC2)CC1)c1ccco1 ZINC000534664245 570922720 /nfs/dbraw/zinc/92/27/20/570922720.db2.gz IVIWHOPEIKGHRA-GOSISDBHSA-N 0 3 378.517 2.169 50 0 GEAAHN CN1CCN(CCCNc2ccc(-c3nc(-c4ccc(F)cc4)no3)nn2)CC1 ZINC000046913912 570936580 /nfs/dbraw/zinc/93/65/80/570936580.db2.gz ULWBPYUWSPXSFO-UHFFFAOYSA-N 0 3 397.458 2.382 50 0 GEAAHN O[C@@H](CNCc1cnc(N2CCOCC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000107713488 570975354 /nfs/dbraw/zinc/97/53/54/570975354.db2.gz CECRSNAJQZBVTM-INIZCTEOSA-N 0 3 382.386 2.155 50 0 GEAAHN CC(C)c1nc(CN2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)no1 ZINC000091452757 571009262 /nfs/dbraw/zinc/00/92/62/571009262.db2.gz YBIYTFXYAZNTIF-FQEVSTJZSA-N 0 3 375.517 2.102 50 0 GEAAHN CCC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc(N(C)C)nc1)CC2 ZINC000091493989 571011349 /nfs/dbraw/zinc/01/13/49/571011349.db2.gz SHPIKKBLSBPGJX-UHFFFAOYSA-N 0 3 382.512 2.157 50 0 GEAAHN CC(C)c1cc(C(=O)NCCN2CC[C@H](c3ccccc3)C2)nc2ncnn21 ZINC000091645124 571021881 /nfs/dbraw/zinc/02/18/81/571021881.db2.gz OGOCKYLYZDMSSZ-KRWDZBQOSA-N 0 3 378.480 2.467 50 0 GEAAHN Cc1c[nH]c(CN2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)c(C)c1=O ZINC000091725098 571027954 /nfs/dbraw/zinc/02/79/54/571027954.db2.gz KGZPIFDUAPDOTE-SFHVURJKSA-N 0 3 387.524 2.375 50 0 GEAAHN COCC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCCN(C)C)cc1 ZINC000037556883 571030783 /nfs/dbraw/zinc/03/07/83/571030783.db2.gz XHLPPHMUPOCBQG-UHFFFAOYSA-N 0 3 397.519 2.395 50 0 GEAAHN COc1ccc(-c2cc(C(=O)N3CCN(CCn4cccc4)CC3)n[nH]2)cc1 ZINC000092066319 571043991 /nfs/dbraw/zinc/04/39/91/571043991.db2.gz QJUYUJMMWOMONI-UHFFFAOYSA-N 0 3 379.464 2.345 50 0 GEAAHN CCc1nn2c(nc(CN3C[C@H]4CC[C@H](CN4CC4CCC4)C3)cc2=O)s1 ZINC000095359925 571054578 /nfs/dbraw/zinc/05/45/78/571054578.db2.gz OMVOQYICEBBRAE-DOTOQJQBSA-N 0 3 387.553 2.410 50 0 GEAAHN Cc1nn(C)c(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1Cl ZINC000095364525 571057610 /nfs/dbraw/zinc/05/76/10/571057610.db2.gz SANBUWHGGAOSEX-CQSZACIVSA-N 0 3 378.908 2.160 50 0 GEAAHN CCN(C)C(=O)c1cccc(S(=O)(=O)N(C)CCN(C)C2CCCC2)c1 ZINC000095366824 571058932 /nfs/dbraw/zinc/05/89/32/571058932.db2.gz APCYKRCHCSIHGI-UHFFFAOYSA-N 0 3 381.542 2.273 50 0 GEAAHN C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCCN(C)C)c1)C1=CCCCC1 ZINC000095388674 571071645 /nfs/dbraw/zinc/07/16/45/571071645.db2.gz BXKINUOHSQCAHD-OAHLLOKOSA-N 0 3 379.526 2.145 50 0 GEAAHN CC[C@@H]1CN(C(=O)c2ccc(-c3cc(C)ccc3OCC(N)=O)cc2)CCN1 ZINC000426505629 529379986 /nfs/dbraw/zinc/37/99/86/529379986.db2.gz FDOKSYFQZCLUNB-GOSISDBHSA-N 0 3 381.476 2.350 50 0 GEAAHN CCc1cnc(C)nc1-c1cccc(C(=O)NCCN2CCC[C@H](CO)C2)c1 ZINC000426440459 529637874 /nfs/dbraw/zinc/63/78/74/529637874.db2.gz ZABDHFRWKTYVLL-KRWDZBQOSA-N 0 3 382.508 2.449 50 0 GEAAHN O=c1c(Cl)c(N2CCNCC2)cnn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003883665 531511334 /nfs/dbraw/zinc/51/13/34/531511334.db2.gz WCFVYUSSELVKRM-UHFFFAOYSA-N 0 3 394.184 2.363 50 0 GEAAHN O=C(c1cccc(Br)c1)N1CCC2(CC1)NCCc1nc[nH]c12 ZINC000008995864 531548546 /nfs/dbraw/zinc/54/85/46/531548546.db2.gz HUQMUUXKEKKKQU-UHFFFAOYSA-N 0 3 375.270 2.449 50 0 GEAAHN OCCOc1ccc(CNCCc2nnc3ccccn32)c(Br)c1 ZINC000024839256 531609119 /nfs/dbraw/zinc/60/91/19/531609119.db2.gz CEJSBXJYFRJOJW-UHFFFAOYSA-N 0 3 391.269 2.195 50 0 GEAAHN CN(C)C(=O)C1c2ccccc2-c2ccccc2[C@H](C(=O)N(C)C)S1(=O)=O ZINC000000702145 212175760 /nfs/dbraw/zinc/17/57/60/212175760.db2.gz OPGHXVLDKOMVRM-QZTJIDSGSA-N 0 3 386.473 2.041 50 0 GEAAHN Cn1cc(CNC[C@H]2CN(C3CC3)CCO2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000106379931 212096211 /nfs/dbraw/zinc/09/62/11/212096211.db2.gz UTWOIJJMFPGUQE-IBGZPJMESA-N 0 3 398.507 2.201 50 0 GEAAHN COc1ccc(-c2cccc(C(=O)N3C[C@H](O)[C@@H](N4CCCCC4)C3)c2)cn1 ZINC000426712814 533182224 /nfs/dbraw/zinc/18/22/24/533182224.db2.gz UWVQJTFUYKBADB-PMACEKPBSA-N 0 3 381.476 2.428 50 0 GEAAHN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCCN1CCC(C)CC1 ZINC000007006876 220983337 /nfs/dbraw/zinc/98/33/37/220983337.db2.gz WSXSVWJDHPYJDG-UHFFFAOYSA-N 0 3 385.530 2.209 50 0 GEAAHN FC(F)(F)c1ccc(CN2CCCN(c3ccc4nnnn4n3)CC2)cc1 ZINC000008726236 221052880 /nfs/dbraw/zinc/05/28/80/221052880.db2.gz RAUWSTAXBIGWDY-UHFFFAOYSA-N 0 3 377.374 2.250 50 0 GEAAHN O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000009851451 221092767 /nfs/dbraw/zinc/09/27/67/221092767.db2.gz OOYCNMXRGGKROI-UHFFFAOYSA-N 0 3 399.457 2.366 50 0 GEAAHN O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1n[nH]c(=O)c2ccccc21 ZINC000011873751 221133495 /nfs/dbraw/zinc/13/34/95/221133495.db2.gz JSJPVVISGLZBOU-KRWDZBQOSA-N 0 3 376.460 2.360 50 0 GEAAHN CC[C@H](C)CN1CCc2nnc(CCNC(=O)c3ccc(OC)cc3)n2CC1 ZINC000012099482 221151196 /nfs/dbraw/zinc/15/11/96/221151196.db2.gz SHCLQVPBMOCMBY-INIZCTEOSA-N 0 3 385.512 2.163 50 0 GEAAHN COC[C@@H](C)NC(=O)c1c(=O)cc(C)n(CCN(C)C)c1CCc1ccccc1 ZINC000012194414 221165591 /nfs/dbraw/zinc/16/55/91/221165591.db2.gz ONEMNEAFFSNRLO-QGZVFWFLSA-N 0 3 399.535 2.268 50 0 GEAAHN COc1ccc(CCN(C)[C@H]2CCCN(S(=O)(=O)C(C)C)C2)cc1OC ZINC000012200079 221166126 /nfs/dbraw/zinc/16/61/26/221166126.db2.gz VVZJDGOCGWUSPU-KRWDZBQOSA-N 0 3 384.542 2.381 50 0 GEAAHN O=C(c1ccc(Cl)cc1OC1CCN(C[C@@H](O)CO)CC1)N1CCCCC1 ZINC000012430901 221192171 /nfs/dbraw/zinc/19/21/71/221192171.db2.gz WUCAJMOAJATGHU-MRXNPFEDSA-N 0 3 396.915 2.163 50 0 GEAAHN CC(C)CN1CCNC(=O)[C@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434150 221193132 /nfs/dbraw/zinc/19/31/32/221193132.db2.gz IBPWTLOJWNMVKE-MRXNPFEDSA-N 0 3 391.903 2.021 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1 ZINC000012470116 221199288 /nfs/dbraw/zinc/19/92/88/221199288.db2.gz IUWIUGAYKXAENC-LJQANCHMSA-N 0 3 379.545 2.032 50 0 GEAAHN COC(=O)c1ccc(-c2noc(CN3CCN(c4ccncc4)CC3)n2)cc1 ZINC000012708107 221219147 /nfs/dbraw/zinc/21/91/47/221219147.db2.gz WFEVQVJSAGAAEI-UHFFFAOYSA-N 0 3 379.420 2.240 50 0 GEAAHN O=C(NCCN1CCCCC1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1 ZINC000012704412 221219633 /nfs/dbraw/zinc/21/96/33/221219633.db2.gz UOLIMACYRFESAQ-SFHVURJKSA-N 0 3 375.488 2.209 50 0 GEAAHN NC(=O)COc1ccc(Br)cc1CNC[C@@H](O)c1ccccc1 ZINC000013945160 221294175 /nfs/dbraw/zinc/29/41/75/221294175.db2.gz HTERKPUVYVHWLL-OAHLLOKOSA-N 0 3 379.254 2.136 50 0 GEAAHN COC[C@@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C ZINC000014749082 221315973 /nfs/dbraw/zinc/31/59/73/221315973.db2.gz IXTOARXYDTXJST-QGZVFWFLSA-N 0 3 388.512 2.371 50 0 GEAAHN CN(C)C(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2ccncc2)C1 ZINC000014746773 221316361 /nfs/dbraw/zinc/31/63/61/221316361.db2.gz HWUXIHGXTDPGRH-SJORKVTESA-N 0 3 384.455 2.386 50 0 GEAAHN O=C(Cn1c(=O)oc2ccccc21)N[C@@H]1CCCN(CCc2ccccc2)C1 ZINC000014974610 221323636 /nfs/dbraw/zinc/32/36/36/221323636.db2.gz UACPFRLJXVWSCD-GOSISDBHSA-N 0 3 379.460 2.418 50 0 GEAAHN CN(C)[C@H]1CCN(C(=O)c2ccc(OC3CCN(C(=O)C4CC4)CC3)cc2)C1 ZINC000015063683 221328124 /nfs/dbraw/zinc/32/81/24/221328124.db2.gz WUWAJHNZCZYSAN-SFHVURJKSA-N 0 3 385.508 2.243 50 0 GEAAHN CN1CCN([C@H]2CCN(c3cc(C(F)(F)F)ccn3)C[C@H]2CCCO)CC1 ZINC000091644429 136176871 /nfs/dbraw/zinc/17/68/71/136176871.db2.gz XUCNEFDEUZZVCP-WBVHZDCISA-N 0 3 386.462 2.315 50 0 GEAAHN CN1CCc2nc[nH]c2C12CCN(Cc1cccc(N3CCOCC3)c1)CC2 ZINC000091636012 136176925 /nfs/dbraw/zinc/17/69/25/136176925.db2.gz IRSZIGHIFHDALQ-UHFFFAOYSA-N 0 3 381.524 2.226 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC(c4nnc[nH]4)CC3)CC2)c1 ZINC000091908472 136177394 /nfs/dbraw/zinc/17/73/94/136177394.db2.gz OWNHPQBXOKHCHW-UHFFFAOYSA-N 0 3 382.512 2.031 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)N3CCC(c4nc[nH]n4)CC3)CC2)c1 ZINC000091908472 136177395 /nfs/dbraw/zinc/17/73/95/136177395.db2.gz OWNHPQBXOKHCHW-UHFFFAOYSA-N 0 3 382.512 2.031 50 0 GEAAHN CSc1nccc(N2CCN(C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1 ZINC000092046162 136177571 /nfs/dbraw/zinc/17/75/71/136177571.db2.gz IVEIXUBNXUZBHV-IBGZPJMESA-N 0 3 375.542 2.112 50 0 GEAAHN Cc1cccc(N2CCN(CCC(=O)NCc3cn4c(n3)SCC4)CC2)c1 ZINC000095368783 136178238 /nfs/dbraw/zinc/17/82/38/136178238.db2.gz LYFBAGNMYALVAM-UHFFFAOYSA-N 0 3 385.537 2.126 50 0 GEAAHN CN1C(=O)[C@H]2CC[C@@H]1CN(C1CCN(c3ncc4ccc(F)cc4n3)CC1)C2 ZINC000095388524 136178846 /nfs/dbraw/zinc/17/88/46/136178846.db2.gz BRODDZHYZQPQEL-MAUKXSAKSA-N 0 3 383.471 2.290 50 0 GEAAHN C[C@@H](CNC(=O)NCc1ccc(CS(C)(=O)=O)cc1)N1CCC[C@H](C)C1 ZINC000057045805 222028483 /nfs/dbraw/zinc/02/84/83/222028483.db2.gz RTIFHWZFABNIEK-HOTGVXAUSA-N 0 3 381.542 2.151 50 0 GEAAHN CN1CC[C@H](NC(=O)NC[C@@H]2CCN(c3ccc(Br)cc3)C2)C1 ZINC000054688959 222013256 /nfs/dbraw/zinc/01/32/56/222013256.db2.gz IEDYYCCBLJTLGX-ZFWWWQNUSA-N 0 3 381.318 2.279 50 0 GEAAHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CCCc1nc(-c2ccco2)no1 ZINC000055384737 222021002 /nfs/dbraw/zinc/02/10/02/222021002.db2.gz YPSVZAKCTXPOTE-HNNXBMFYSA-N 0 3 376.457 2.222 50 0 GEAAHN C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCCN(C)CC2)c(F)c1 ZINC000058082695 222039410 /nfs/dbraw/zinc/03/94/10/222039410.db2.gz IDVWORYHHGMJQI-CQSZACIVSA-N 0 3 388.443 2.318 50 0 GEAAHN O[C@H](CN1CCOCC1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000058120615 222039866 /nfs/dbraw/zinc/03/98/66/222039866.db2.gz RJSXYSSAOKUVLJ-QHCPKHFHSA-N 0 3 395.547 2.087 50 0 GEAAHN Cc1occc1C(=O)NCC(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000058195331 222043190 /nfs/dbraw/zinc/04/31/90/222043190.db2.gz PARMJCKLTUGGRL-UHFFFAOYSA-N 0 3 375.494 2.408 50 0 GEAAHN CC(C)[C@H](OC[C@H]1CCCO1)C(=O)NCc1cccc(OCCN(C)C)c1 ZINC000058316126 222049188 /nfs/dbraw/zinc/04/91/88/222049188.db2.gz KFPDHYZPZSYHHW-UXHICEINSA-N 0 3 378.513 2.463 50 0 GEAAHN CCn1c2c(C(=O)Nc3ccc(C)c(Cl)c3)cnn2c(=O)c2c1CCNC2 ZINC000064966189 222090404 /nfs/dbraw/zinc/09/04/04/222090404.db2.gz AQNRVVHRGDQNFB-UHFFFAOYSA-N 0 3 385.855 2.376 50 0 GEAAHN O=C(NCCN1CCCCCC1)c1nc(-c2ccnc(N3CCCC3)c2)no1 ZINC000065245902 222114332 /nfs/dbraw/zinc/11/43/32/222114332.db2.gz HLQRBVQTYNMJLM-UHFFFAOYSA-N 0 3 384.484 2.338 50 0 GEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000065363849 222124454 /nfs/dbraw/zinc/12/44/54/222124454.db2.gz UNICKIQFXOOUBJ-GOSISDBHSA-N 0 3 381.542 2.058 50 0 GEAAHN Cc1nc(NCCNS(=O)(=O)c2ccccc2Cl)cc(N2CCCC2)n1 ZINC000065362667 222124560 /nfs/dbraw/zinc/12/45/60/222124560.db2.gz QKEQFWLAAGNORM-UHFFFAOYSA-N 0 3 395.916 2.429 50 0 GEAAHN CCc1ccccc1NC(=O)NCCNc1cc(N2CCOCC2)nc(C)n1 ZINC000065362517 222124831 /nfs/dbraw/zinc/12/48/31/222124831.db2.gz YHXUOXYWSSYANV-UHFFFAOYSA-N 0 3 384.484 2.418 50 0 GEAAHN CCc1c(C)nn(C)c1NC(=O)c1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 ZINC000065375546 222126334 /nfs/dbraw/zinc/12/63/34/222126334.db2.gz OKMNBZIXBWTRNK-QGZVFWFLSA-N 0 3 383.496 2.241 50 0 GEAAHN CN(C)[C@@H]1C[C@@H](CO)N(C(=O)c2cc(-c3cccnc3)nc3ccccc32)C1 ZINC000065469896 222132075 /nfs/dbraw/zinc/13/20/75/222132075.db2.gz RLNDKFSRJIRASD-SJORKVTESA-N 0 3 376.460 2.434 50 0 GEAAHN Cc1cc(-n2nc(-c3ccccc3)nc2CN2C(=O)NC(=O)C2(C)C)ccn1 ZINC000065525856 222134273 /nfs/dbraw/zinc/13/42/73/222134273.db2.gz AHKBWEFFCGLPDL-UHFFFAOYSA-N 0 3 376.420 2.468 50 0 GEAAHN COCCOC(=O)N1CCC2(CC1)CN(Cc1cccc(F)c1)CCN2C ZINC000067790684 222159280 /nfs/dbraw/zinc/15/92/80/222159280.db2.gz USEMREBLTGQCBW-UHFFFAOYSA-N 0 3 379.476 2.191 50 0 GEAAHN CCOC(=O)N1CCC2(CC1)CN(CCOCc1ccccc1)CCN2C ZINC000067895037 222164754 /nfs/dbraw/zinc/16/47/54/222164754.db2.gz BXVWDGGCTOYIBS-UHFFFAOYSA-N 0 3 375.513 2.442 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)CC(=O)N4)cnn2c1 ZINC000067974234 222168990 /nfs/dbraw/zinc/16/89/90/222168990.db2.gz RNKKQEPHQPEZDO-UHFFFAOYSA-N 0 3 378.436 2.318 50 0 GEAAHN CC(C)C[C@@H](NC(=O)c1coc2c1C(=O)CCC2)c1nnc2n1CCNCC2 ZINC000067965391 222169717 /nfs/dbraw/zinc/16/97/17/222169717.db2.gz SPBMTBPSQCGSHC-CQSZACIVSA-N 0 3 385.468 2.053 50 0 GEAAHN Cc1ccc(-c2nc(CNC(=O)C[C@@H]3CNCCO3)[nH]c2-c2ccccn2)cc1 ZINC000067974399 222170150 /nfs/dbraw/zinc/17/01/50/222170150.db2.gz RXBIYGCOXVGKFC-QGZVFWFLSA-N 0 3 391.475 2.442 50 0 GEAAHN Cc1ccc(-c2[nH]c(CNC(=O)C[C@@H]3CNCCO3)nc2-c2ccccn2)cc1 ZINC000067974399 222170153 /nfs/dbraw/zinc/17/01/53/222170153.db2.gz RXBIYGCOXVGKFC-QGZVFWFLSA-N 0 3 391.475 2.442 50 0 GEAAHN CCN1CCc2c(cccc2-n2nnc(C(=O)NCc3cc(C)no3)c2C)C1 ZINC000069596545 222174031 /nfs/dbraw/zinc/17/40/31/222174031.db2.gz PPFVGKALLFMBBI-UHFFFAOYSA-N 0 3 380.452 2.180 50 0 GEAAHN CC(C)C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccnc2)C1)N1CCOCC1 ZINC000070009139 222176040 /nfs/dbraw/zinc/17/60/40/222176040.db2.gz LFALGAOBICEHMR-LEWJYISDSA-N 0 3 388.556 2.157 50 0 GEAAHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)c1ccc2c(c1)OCCO2 ZINC000070922206 222176960 /nfs/dbraw/zinc/17/69/60/222176960.db2.gz FSRFNYKBIUAFGF-UHFFFAOYSA-N 0 3 389.477 2.048 50 0 GEAAHN COCCN(C)CCN1CC2(CCN(Cc3ccc(C)cc3)CC2)OC1=O ZINC000072409527 222255502 /nfs/dbraw/zinc/25/55/02/222255502.db2.gz XZOZLDHDZQVGTK-UHFFFAOYSA-N 0 3 375.513 2.360 50 0 GEAAHN CN1CCC(N(CCc2ccccc2)C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC000072417981 222256435 /nfs/dbraw/zinc/25/64/35/222256435.db2.gz PAZMARUGZWPMRG-QFIPXVFZSA-N 0 3 381.520 2.428 50 0 GEAAHN O=C1CC[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072419549 222257137 /nfs/dbraw/zinc/25/71/37/222257137.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 0 3 382.464 2.194 50 0 GEAAHN O=C1CC[C@H]2CN(Cc3ccc4c(c3)OCO4)CC[C@H]2N1CCc1cnc[nH]1 ZINC000072419549 222257140 /nfs/dbraw/zinc/25/71/40/222257140.db2.gz NVHPWWGBWRCHCJ-FUHWJXTLSA-N 0 3 382.464 2.194 50 0 GEAAHN CC(C)[C@@H]1CN(C(=O)CNC(=O)N(C)C)CCCN1Cc1ccc(F)cc1 ZINC000071753054 222191615 /nfs/dbraw/zinc/19/16/15/222191615.db2.gz RFVDSDVZBNCZEE-SFHVURJKSA-N 0 3 378.492 2.156 50 0 GEAAHN O=C(c1ccccc1OC1CCN(CCn2cnnc2)CC1)N1CCCCC1 ZINC000095504529 222335947 /nfs/dbraw/zinc/33/59/47/222335947.db2.gz ZCRZSXYFSSVINT-UHFFFAOYSA-N 0 3 383.496 2.448 50 0 GEAAHN CCN1CCC[C@@H]1CNc1nc(-c2ccccn2)nc2c1CCN(C(C)=O)C2 ZINC000077454501 222283048 /nfs/dbraw/zinc/28/30/48/222283048.db2.gz XBTGOTSWCRZNSX-MRXNPFEDSA-N 0 3 380.496 2.339 50 0 GEAAHN Cc1nnnn1CCCN1CCC2(CN(C[C@H](C)c3ccccc3)C(=O)O2)CC1 ZINC000077542055 222285318 /nfs/dbraw/zinc/28/53/18/222285318.db2.gz NUMDKZNOAHSEIK-KRWDZBQOSA-N 0 3 398.511 2.462 50 0 GEAAHN O[C@H](COc1cccc(CN2CCC(O)CC2)c1)CN1CCc2ccccc2C1 ZINC000095519290 222346611 /nfs/dbraw/zinc/34/66/11/222346611.db2.gz ZKBUGPRHWQNJGR-QHCPKHFHSA-N 0 3 396.531 2.441 50 0 GEAAHN COc1cc(C(=O)NCCNc2cccnc2)ccc1OC1CCN(C)CC1 ZINC000095527687 222350076 /nfs/dbraw/zinc/35/00/76/222350076.db2.gz WPVYWTRGLOMURD-UHFFFAOYSA-N 0 3 384.480 2.405 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CCCn3cncn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095528664 222352359 /nfs/dbraw/zinc/35/23/59/222352359.db2.gz IATRPCSQHWGJSK-KSEOMHKRSA-N 0 3 395.507 2.156 50 0 GEAAHN Cc1ccn2c(nnc2C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095531719 222355199 /nfs/dbraw/zinc/35/51/99/222355199.db2.gz ZXWRHKXUCKPUTN-IPMKNSEASA-N 0 3 388.475 2.135 50 0 GEAAHN CCNC(=O)N(CCN(C)C)Cc1cc(-c2cc(OC)ccc2OC)on1 ZINC000096210730 222398165 /nfs/dbraw/zinc/39/81/65/222398165.db2.gz RNKSCIXIKWBQSN-UHFFFAOYSA-N 0 3 376.457 2.452 50 0 GEAAHN COc1ccccc1CCCNC(=O)N1CCN([C@H]2CN3CCC2CC3)CC1 ZINC000426615207 534028491 /nfs/dbraw/zinc/02/84/91/534028491.db2.gz UMIDQBQUCLYLPF-FQEVSTJZSA-N 0 3 386.540 2.049 50 0 GEAAHN CCN(CC)C(=O)c1ccc(NC(=O)NC[C@H]2COCCN(C)C2)c(C)c1 ZINC000426387789 528071531 /nfs/dbraw/zinc/07/15/31/528071531.db2.gz CBCUQELBXWZEDF-MRXNPFEDSA-N 0 3 376.501 2.177 50 0 GEAAHN CCN(CC)C(=O)c1ccc(NC(=O)NC[C@@H]2COCCN(C)C2)c(C)c1 ZINC000426387788 528071715 /nfs/dbraw/zinc/07/17/15/528071715.db2.gz CBCUQELBXWZEDF-INIZCTEOSA-N 0 3 376.501 2.177 50 0 GEAAHN CCNC(=O)c1cccc(CNC(=O)CCN2CCN(c3ccccc3)CC2)c1 ZINC000072301531 535441783 /nfs/dbraw/zinc/44/17/83/535441783.db2.gz IPILTIAJOHNQTH-UHFFFAOYSA-N 0 3 394.519 2.265 50 0 GEAAHN Cc1ccc2occ(CN3CCN(C4CCN(C)CC4)[C@@H](CCO)C3)c(=O)c2c1 ZINC000019742820 570212671 /nfs/dbraw/zinc/21/26/71/570212671.db2.gz HTUFORPEQYNONT-FQEVSTJZSA-N 0 3 399.535 2.064 50 0 GEAAHN Cc1cc(C)n(-c2cccc(CN3CCC(c4nnc(CO)n4C)CC3)c2)n1 ZINC000097334145 570241990 /nfs/dbraw/zinc/24/19/90/570241990.db2.gz ZKOSJKUQQTVPTO-UHFFFAOYSA-N 0 3 380.496 2.490 50 0 GEAAHN O=C(c1ccncc1)N1CCC2(CCN(Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097413246 570243261 /nfs/dbraw/zinc/24/32/61/570243261.db2.gz ZQLSCHVJDSLCBG-HXUWFJFHSA-N 0 3 380.492 2.213 50 0 GEAAHN COc1cc(CNCc2ccccc2CN2CCN(C)CC2)cc2c1OCO2 ZINC000048375466 570249600 /nfs/dbraw/zinc/24/96/00/570249600.db2.gz OKLKANGWLAZEPE-UHFFFAOYSA-N 0 3 383.492 2.461 50 0 GEAAHN COCCN1CCC[C@H](CN(C)C(=O)Nc2cccc(N(C)C(C)=O)c2)C1 ZINC000097785280 570255920 /nfs/dbraw/zinc/25/59/20/570255920.db2.gz KEODKBDBHVSKIZ-QGZVFWFLSA-N 0 3 376.501 2.491 50 0 GEAAHN Cc1nc(NCCNC(=O)CCCc2ccccc2)cc(N2CCOCC2)n1 ZINC000049422540 570267418 /nfs/dbraw/zinc/26/74/18/570267418.db2.gz ZJNUNOGYMBBYLW-UHFFFAOYSA-N 0 3 383.496 2.173 50 0 GEAAHN COC(=O)C1(OC(=O)c2cc(OC)c(OC)c(OC)c2)C[C@H]2CC[C@@H](C1)N2C ZINC000000629133 570278035 /nfs/dbraw/zinc/27/80/35/570278035.db2.gz DBZDBAGWFQBBTF-RAKKMVLPSA-N 0 3 393.436 2.038 50 0 GEAAHN Cn1nnc(-c2ccc(C(=O)NCCN3CC[C@H](c4ccccc4)C3)cc2)n1 ZINC000215235948 570286433 /nfs/dbraw/zinc/28/64/33/570286433.db2.gz SSDYAXLKZYGKES-IBGZPJMESA-N 0 3 376.464 2.096 50 0 GEAAHN O[C@H]1CN(Cc2cccc(OCCCn3ccnc3)c2)C[C@@H]1N1CCCCC1 ZINC000215316995 570287146 /nfs/dbraw/zinc/28/71/46/570287146.db2.gz ICOSQNRENQJLMH-VXKWHMMOSA-N 0 3 384.524 2.383 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684071 570301276 /nfs/dbraw/zinc/30/12/76/570301276.db2.gz NAVBRCJDHCTPLU-UHFFFAOYSA-N 0 3 380.536 2.296 50 0 GEAAHN CN1C(=O)c2ccc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2C1=O ZINC000023742063 570330520 /nfs/dbraw/zinc/33/05/20/570330520.db2.gz RPUXOOBWZZIVLX-LJQANCHMSA-N 0 3 377.444 2.479 50 0 GEAAHN Cc1c2cc(Cl)ccc2[nH]c1CN1CC[C@@H](N2CCN(C)CC2)[C@H](O)C1 ZINC000023374985 570358190 /nfs/dbraw/zinc/35/81/90/570358190.db2.gz GVPJIBPOJYFWHI-WOJBJXKFSA-N 0 3 376.932 2.312 50 0 GEAAHN Cc1cc(C)c(CN2CCn3nc([C@H](C)O)cc3C2)cc1CN1CCN(C)CC1 ZINC000219832154 570376124 /nfs/dbraw/zinc/37/61/24/570376124.db2.gz ZURHFPZHCKVBBX-IBGZPJMESA-N 0 3 397.567 2.316 50 0 GEAAHN COc1ccc(OC[C@H](O)CN2CCC(NC(=O)c3ccccc3)CC2)cc1 ZINC000025305167 570410429 /nfs/dbraw/zinc/41/04/29/570410429.db2.gz SCPQKJOSGVDGIN-LJQANCHMSA-N 0 3 384.476 2.329 50 0 GEAAHN CCc1nn([C@H](C)C(=O)NCCN2CCCCCC2)c(=O)c2cc3occc3n21 ZINC000005149710 570427972 /nfs/dbraw/zinc/42/79/72/570427972.db2.gz QVGXWTWBZFORRU-OAHLLOKOSA-N 0 3 399.495 2.358 50 0 GEAAHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccc2c(c1)OCCO2 ZINC000005353423 570434861 /nfs/dbraw/zinc/43/48/61/570434861.db2.gz FHYYCXNJQXKVGG-SFHVURJKSA-N 0 3 391.427 2.403 50 0 GEAAHN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCCN(C)C)C3)no2)cc1C ZINC000036001639 570507123 /nfs/dbraw/zinc/50/71/23/570507123.db2.gz OPGUHJTXAKHLPV-GOSISDBHSA-N 0 3 398.507 2.488 50 0 GEAAHN O[C@H](COCc1ccco1)CN(CCN1CCOCC1)Cc1ccc(F)cc1 ZINC000036102452 570539473 /nfs/dbraw/zinc/53/94/73/570539473.db2.gz NZFYCTMNQDYQGI-FQEVSTJZSA-N 0 3 392.471 2.131 50 0 GEAAHN Cc1nc(NCCNC(=O)Nc2ccc(F)cc2F)cc(N2CCOCC2)n1 ZINC000036708104 570568151 /nfs/dbraw/zinc/56/81/51/570568151.db2.gz JTIBZUIDEBVNQL-UHFFFAOYSA-N 0 3 392.410 2.133 50 0 GEAAHN COc1ccc(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)cc1NC(C)=O ZINC000047406822 570654093 /nfs/dbraw/zinc/65/40/93/570654093.db2.gz PTFMRPIZSAUUFB-GASCZTMLSA-N 0 3 397.541 2.300 50 0 GEAAHN O=C(NCCN1CCCC1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065255965 570754628 /nfs/dbraw/zinc/75/46/28/570754628.db2.gz GGPSFZGMJUUKPR-FQEVSTJZSA-N 0 3 379.508 2.058 50 0 GEAAHN CCn1c2ccccc2nc(SCC(=O)NCCN2CCCC[C@H]2C)c1=O ZINC000033259823 570868577 /nfs/dbraw/zinc/86/85/77/570868577.db2.gz AOWQQRZSIPUWBM-OAHLLOKOSA-N 0 3 388.537 2.499 50 0 GEAAHN Cc1nnnn1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000071284681 570887879 /nfs/dbraw/zinc/88/78/79/570887879.db2.gz UAOZRLSQZRSDDR-UHFFFAOYSA-N 0 3 376.464 2.365 50 0 GEAAHN C[C@@H]1CCCCN1Cc1cccc(NC(=O)NCCS(=O)(=O)N(C)C)c1 ZINC000299786277 570895930 /nfs/dbraw/zinc/89/59/30/570895930.db2.gz NGXQXZKRTKFYAJ-OAHLLOKOSA-N 0 3 382.530 2.074 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)[C@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000106398613 570962134 /nfs/dbraw/zinc/96/21/34/570962134.db2.gz KQICRLZLPFESGQ-LSDHHAIUSA-N 0 3 381.480 2.050 50 0 GEAAHN O=C1OCC[C@H]1N1CCC(N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC1 ZINC000252492197 570974252 /nfs/dbraw/zinc/97/42/52/570974252.db2.gz MFKQZCKKFVEXDO-MRXNPFEDSA-N 0 3 398.429 2.002 50 0 GEAAHN CS(=O)(=O)Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 ZINC000046239169 570997148 /nfs/dbraw/zinc/99/71/48/570997148.db2.gz CALKENWVBOXHJR-UHFFFAOYSA-N 0 3 386.517 2.409 50 0 GEAAHN COc1cccc([C@H]2CN(C(=O)c3c(C)nn4c3nc(C)cc4C)C[C@@H]2N)c1 ZINC000091620074 571018460 /nfs/dbraw/zinc/01/84/60/571018460.db2.gz TWYHQXKRJGSTTO-MSOLQXFVSA-N 0 3 379.464 2.230 50 0 GEAAHN Cc1ccn2c(c1)nc(C(=O)N1CCC([C@@H](C)N3CCN(C)CC3)CC1)c2F ZINC000091625096 571019078 /nfs/dbraw/zinc/01/90/78/571019078.db2.gz MRWSSLQVDUQLPM-MRXNPFEDSA-N 0 3 387.503 2.270 50 0 GEAAHN CC(C)N1CCC[C@]2(CCN(Cc3cnc(N4CCOCC4)s3)C2)C1=O ZINC000091626244 571020242 /nfs/dbraw/zinc/02/02/42/571020242.db2.gz YBINGNRALRSTTK-LJQANCHMSA-N 0 3 378.542 2.203 50 0 GEAAHN CN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(-c3ccsc3)[nH]n1)CC2 ZINC000091645799 571022738 /nfs/dbraw/zinc/02/27/38/571022738.db2.gz BKFKUGNTBAPVAB-UHFFFAOYSA-N 0 3 382.493 2.481 50 0 GEAAHN CN(CCO)C[C@@H]1CN(C(=O)c2cccc(-c3ccc(F)cc3)c2)C[C@@H]1CO ZINC000091663698 571024205 /nfs/dbraw/zinc/02/42/05/571024205.db2.gz YAIOKASZYQKASD-WOJBJXKFSA-N 0 3 386.467 2.097 50 0 GEAAHN Cc1c[nH]c(CN2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)c(C)c1=O ZINC000091725100 571027662 /nfs/dbraw/zinc/02/76/62/571027662.db2.gz KGZPIFDUAPDOTE-GOSISDBHSA-N 0 3 387.524 2.375 50 0 GEAAHN CN(CCO)C[C@@H]1CN(C(=O)c2cccc3c(Cl)cccc23)C[C@@H]1CO ZINC000091724781 571028002 /nfs/dbraw/zinc/02/80/02/571028002.db2.gz XERFISJUHQOGJP-HUUCEWRRSA-N 0 3 376.884 2.098 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3nccc4ccccc43)C[C@H]2CCCO)CC1 ZINC000091746610 571029390 /nfs/dbraw/zinc/02/93/90/571029390.db2.gz KCOAPRRADLVDJB-CTNGQTDRSA-N 0 3 396.535 2.085 50 0 GEAAHN CC(C)CN1CCc2nc[nH]c2C12CCN(C(=O)c1n[nH]c3c1CCC3)CC2 ZINC000091894298 571035030 /nfs/dbraw/zinc/03/50/30/571035030.db2.gz FFQZHKMVHFXHIA-UHFFFAOYSA-N 0 3 382.512 2.267 50 0 GEAAHN COCCN1C[C@H]2CC[C@@H]1CN(C(=O)c1cnc3cc(Cl)ccc3c1O)C2 ZINC000095355834 571051996 /nfs/dbraw/zinc/05/19/96/571051996.db2.gz SCWIBFWTRYTHGD-UKRRQHHQSA-N 0 3 389.883 2.364 50 0 GEAAHN O=C(c1cnc(-c2cccnc2)nc1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000095359048 571054221 /nfs/dbraw/zinc/05/42/21/571054221.db2.gz KZDKKVLWPKPLKA-LJQANCHMSA-N 0 3 381.480 2.256 50 0 GEAAHN COCCN1CC[C@]2(CN(Cc3ccc(F)c(C)c3)CCN2C)CCC1=O ZINC000095365678 571058030 /nfs/dbraw/zinc/05/80/30/571058030.db2.gz YAKACBFCLNITQO-NRFANRHFSA-N 0 3 377.504 2.279 50 0 GEAAHN Cc1nn(CC(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)cc1Cl ZINC000095375251 571063576 /nfs/dbraw/zinc/06/35/76/571063576.db2.gz SBGBKIIAICKFHC-OAHLLOKOSA-N 0 3 378.908 2.009 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1 ZINC000095377050 571065300 /nfs/dbraw/zinc/06/53/00/571065300.db2.gz LLEFHEDXODSKBT-QGZVFWFLSA-N 0 3 378.480 2.408 50 0 GEAAHN Cc1noc(C)c1CN1C[C@H]2CC[C@H](CN2CC(C)(C)N2CCOCC2)C1 ZINC000095387514 571070747 /nfs/dbraw/zinc/07/07/47/571070747.db2.gz ZKLGQQPFRIMJEP-RBUKOAKNSA-N 0 3 376.545 2.298 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H](c1ccccc1)n1cnnn1 ZINC000095479840 230996793 /nfs/dbraw/zinc/99/67/93/230996793.db2.gz VMIHJQSOCRIJDB-HXUWFJFHSA-N 0 3 376.464 2.043 50 0 GEAAHN CO[C@]12CCN(Cc3ccc(OCC(=O)NC(C)(C)C)cc3)[C@H]1C[C@@H](O)CC2 ZINC000426498358 231230130 /nfs/dbraw/zinc/23/01/30/231230130.db2.gz BEAPAEDXEAYADR-LQBOVUBWSA-N 0 3 390.524 2.484 50 0 GEAAHN COCCN1CCC[C@H](CNC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000426515820 231233607 /nfs/dbraw/zinc/23/36/07/231233607.db2.gz ZAJQPWKJEMGBPL-QGZVFWFLSA-N 0 3 378.492 2.016 50 0 GEAAHN Cc1cc(=O)n(CC(=O)N2CCC(N3CCSCC3)CC2)c2ccccc12 ZINC000426530623 231237023 /nfs/dbraw/zinc/23/70/23/231237023.db2.gz WKZVIHGRSOBNES-UHFFFAOYSA-N 0 3 385.533 2.350 50 0 GEAAHN CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000032244195 531650692 /nfs/dbraw/zinc/65/06/92/531650692.db2.gz MJNMTFBGBHNCSY-MRXNPFEDSA-N 0 3 389.587 2.286 50 0 GEAAHN CC(C)Oc1c(Cl)cc(CNCCNC(=O)c2nonc2N)cc1Cl ZINC000040744472 531661280 /nfs/dbraw/zinc/66/12/80/531661280.db2.gz CJKBNGBOYMVEOL-UHFFFAOYSA-N 0 3 388.255 2.265 50 0 GEAAHN COc1ccc(N(C[C@H](O)CN(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001762217 212255908 /nfs/dbraw/zinc/25/59/08/212255908.db2.gz FNSLKEYVEDVHDH-QGZVFWFLSA-N 0 3 378.494 2.121 50 0 GEAAHN COC(=O)c1cn(C2CCN(Cc3ccc(OC)cc3)CC2)cc2c(=O)[nH]nc1-2 ZINC000263588659 212141070 /nfs/dbraw/zinc/14/10/70/212141070.db2.gz WUTPIRZSRWRVQB-UHFFFAOYSA-N 0 3 396.447 2.309 50 0 GEAAHN CC[C@H](C(=O)NCCN1CCCC[C@H]1C)n1nc(C)n2c3ccoc3cc2c1=O ZINC000245276875 212135258 /nfs/dbraw/zinc/13/52/58/212135258.db2.gz YWBFFCPLXBDBOQ-GDBMZVCRSA-N 0 3 399.495 2.492 50 0 GEAAHN COc1ccc([C@H](CNC(=O)c2cnc3sccn3c2=O)N2CCCC2)cc1 ZINC000009762586 221091976 /nfs/dbraw/zinc/09/19/76/221091976.db2.gz RNLFFXTZIZVZEX-KRWDZBQOSA-N 0 3 398.488 2.332 50 0 GEAAHN COCC(=O)N[C@@H](CC(C)C)c1nnc2n1CCN(Cc1ccccc1)CC2 ZINC000011999517 221142694 /nfs/dbraw/zinc/14/26/94/221142694.db2.gz VPDAKTSYRCQIAK-SFHVURJKSA-N 0 3 385.512 2.186 50 0 GEAAHN CCN1CCC[C@H]1CNC(=O)CCC1CCN(C(=O)c2ocnc2C)CC1 ZINC000012074063 221146936 /nfs/dbraw/zinc/14/69/36/221146936.db2.gz ROXVJRBJCJUEKL-KRWDZBQOSA-N 0 3 376.501 2.216 50 0 GEAAHN C[NH+](C)CC(C)(C)CNC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000012296411 221175665 /nfs/dbraw/zinc/17/56/65/221175665.db2.gz KFYAFMMVKYEQAP-UHFFFAOYSA-N 0 3 378.469 2.219 50 0 GEAAHN CN1CCC(N2CCC[C@@H](NC(=O)CCC(=O)c3ccc(F)cc3)C2)CC1 ZINC000012208087 221168297 /nfs/dbraw/zinc/16/82/97/221168297.db2.gz ONRUQDWDCVZYQL-GOSISDBHSA-N 0 3 375.488 2.463 50 0 GEAAHN CCN1C(=O)N(CCCc2cccnc2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014539837 221312203 /nfs/dbraw/zinc/31/22/03/221312203.db2.gz SGYMQVWCRLSPLO-KRWDZBQOSA-N 0 3 388.512 2.168 50 0 GEAAHN CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2CN(C)C)cc1 ZINC000015360869 221335347 /nfs/dbraw/zinc/33/53/47/221335347.db2.gz JNMUMKZCXLFXBA-UHFFFAOYSA-N 0 3 376.478 2.403 50 0 GEAAHN O[C@H](COc1ccccc1CNCC1(O)CCCCC1)CN1CCSCC1 ZINC000014979792 221323985 /nfs/dbraw/zinc/32/39/85/221323985.db2.gz QYMFVZFXNJBRCT-IBGZPJMESA-N 0 3 394.581 2.260 50 0 GEAAHN O=C(COc1ccccc1)NCc1nnc2n1CCN(C[C@@H]1CC=CCC1)CC2 ZINC000014987075 221324707 /nfs/dbraw/zinc/32/47/07/221324707.db2.gz LJYBGDLIWHQIIB-GOSISDBHSA-N 0 3 395.507 2.188 50 0 GEAAHN C[C@H](N)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2C1 ZINC000077388494 136172070 /nfs/dbraw/zinc/17/20/70/136172070.db2.gz QGHASAFXMWRFCB-HNNXBMFYSA-N 0 3 399.516 2.060 50 0 GEAAHN CN(C)[C@@H]1Cc2ccccc2N(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)C1 ZINC000089314168 136175600 /nfs/dbraw/zinc/17/56/00/136175600.db2.gz NCGSWECIHTWABX-QGZVFWFLSA-N 0 3 389.459 2.104 50 0 GEAAHN Cc1nnc2n1[C@@H](C)CN(C(=O)CCN1CCN(c3cccc(C)c3)CC1)C2 ZINC000096147856 136184360 /nfs/dbraw/zinc/18/43/60/136184360.db2.gz DFHCOZLCDPLNHQ-KRWDZBQOSA-N 0 3 382.512 2.010 50 0 GEAAHN CN(Cc1ccccc1)C1(C(=O)N2CCNC(=O)CC2)Cc2ccccc2C1 ZINC000039500032 221890139 /nfs/dbraw/zinc/89/01/39/221890139.db2.gz ASHNDICTFBCNDX-UHFFFAOYSA-N 0 3 377.488 2.005 50 0 GEAAHN CCN1CCC[C@](C)(C(=O)N2CCC3(CC2)NC(CCC(C)C)=NC3=O)C1 ZINC000055118994 222016970 /nfs/dbraw/zinc/01/69/70/222016970.db2.gz YZUYTGDTEWXNKR-FQEVSTJZSA-N 0 3 376.545 2.434 50 0 GEAAHN CC(=O)Nc1ccc(OCC(=O)NC2CCN(Cc3ccccc3)CC2)nc1 ZINC000065245625 222113878 /nfs/dbraw/zinc/11/38/78/222113878.db2.gz WKNNYHAISQDNOQ-UHFFFAOYSA-N 0 3 382.464 2.200 50 0 GEAAHN Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N[C@H]1CCN2CCCC[C@H]12 ZINC000058192788 222043695 /nfs/dbraw/zinc/04/36/95/222043695.db2.gz OCWDLWLLGYKUBS-DLBZAZTESA-N 0 3 377.510 2.027 50 0 GEAAHN COc1ccc(-c2nnc(N3CCC(C(=O)NCCN4CCCC4)CC3)o2)cc1 ZINC000065229793 222113149 /nfs/dbraw/zinc/11/31/49/222113149.db2.gz IJXYTLDWJAPHPL-UHFFFAOYSA-N 0 3 399.495 2.174 50 0 GEAAHN CCNc1cc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nc(C)n1 ZINC000065361875 222124396 /nfs/dbraw/zinc/12/43/96/222124396.db2.gz BPPPNXOTFVHSRG-UHFFFAOYSA-N 0 3 375.498 2.036 50 0 GEAAHN CN1CCC(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)CC1 ZINC000067602233 222150183 /nfs/dbraw/zinc/15/01/83/222150183.db2.gz JZFGRBISTIUVFR-UHFFFAOYSA-N 0 3 387.933 2.097 50 0 GEAAHN Cc1nc(NCCNC(=O)c2ccc(Cl)cc2)cc(N2CCOCC2)n1 ZINC000067622095 222151422 /nfs/dbraw/zinc/15/14/22/222151422.db2.gz HCYGROSKYYIADD-UHFFFAOYSA-N 0 3 375.860 2.117 50 0 GEAAHN CC(=O)Nc1ccc(Cl)c(C(=O)N2CCN(C)C3(CCN(C)CC3)C2)c1 ZINC000067650166 222152317 /nfs/dbraw/zinc/15/23/17/222152317.db2.gz KCGXJPDRMMTOJG-UHFFFAOYSA-N 0 3 378.904 2.150 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)N3CCC[C@H](Cn4ccnc4)C3)cnn2c1 ZINC000067713739 222155478 /nfs/dbraw/zinc/15/54/78/222155478.db2.gz KWEFANOIDSNFLT-QGZVFWFLSA-N 0 3 395.511 2.320 50 0 GEAAHN NC[C@H](O)C(=O)N1CCOc2c(O)cc(-c3csc4ccccc43)cc2C1 ZINC000067946434 222169256 /nfs/dbraw/zinc/16/92/56/222169256.db2.gz HDXVODVVNVDHOC-KRWDZBQOSA-N 0 3 384.457 2.315 50 0 GEAAHN CN1CCN(Cc2ccncc2)CC12CCN(C(=O)COc1ccccc1)CC2 ZINC000067946818 222170127 /nfs/dbraw/zinc/17/01/27/222170127.db2.gz OMTDORJQUBOUBO-UHFFFAOYSA-N 0 3 394.519 2.269 50 0 GEAAHN CCCS(=O)(=O)C(C)C(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000071792377 222198352 /nfs/dbraw/zinc/19/83/52/222198352.db2.gz VMYQXPPHSYYWCR-GOSISDBHSA-N 0 3 380.554 2.367 50 0 GEAAHN COC(=O)[C@H](C)NC(=O)C1(N(C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072121756 222207380 /nfs/dbraw/zinc/20/73/80/222207380.db2.gz NULGBNLQBDVFCS-KRWDZBQOSA-N 0 3 380.488 2.376 50 0 GEAAHN COc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)[nH]c2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072163001 222214753 /nfs/dbraw/zinc/21/47/53/222214753.db2.gz JDCCOZWZCOWABK-IOMROCGXSA-N 0 3 379.460 2.086 50 0 GEAAHN Cn1nnc2cc(C(=O)N(CCc3ccccc3)C3CCN(C)CC3)cnc21 ZINC000072429921 222259958 /nfs/dbraw/zinc/25/99/58/222259958.db2.gz MUCQNVWYARJASZ-UHFFFAOYSA-N 0 3 378.480 2.142 50 0 GEAAHN CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NC[C@H]2CCCCN2C)C1 ZINC000077564309 222284565 /nfs/dbraw/zinc/28/45/65/222284565.db2.gz PUFFKQJEEOFSFN-MRXNPFEDSA-N 0 3 380.496 2.339 50 0 GEAAHN C[C@H](NCCNC(=O)c1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000079015309 222300012 /nfs/dbraw/zinc/30/00/12/222300012.db2.gz CTAHNMUUTFWPQX-HNNXBMFYSA-N 0 3 375.494 2.018 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cn2ccccc2=O)C1 ZINC000095524983 222347733 /nfs/dbraw/zinc/34/77/33/222347733.db2.gz SJRRRLQNIAZJSI-LJQANCHMSA-N 0 3 397.519 2.270 50 0 GEAAHN COc1cc(CN2CCSCC2)ccc1OC[C@@H](O)CN1CCSCC1 ZINC000095524155 222348621 /nfs/dbraw/zinc/34/86/21/222348621.db2.gz VRKPCTHCYIIYCN-KRWDZBQOSA-N 0 3 398.594 2.033 50 0 GEAAHN CCN(C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1)C(=O)c1cnc[n-]c1=O ZINC000095526811 222350481 /nfs/dbraw/zinc/35/04/81/222350481.db2.gz XOXZQRHJGSXCTE-QGZVFWFLSA-N 0 3 386.471 2.326 50 0 GEAAHN CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cnc[n-]c1=O ZINC000095526811 222350484 /nfs/dbraw/zinc/35/04/84/222350484.db2.gz XOXZQRHJGSXCTE-QGZVFWFLSA-N 0 3 386.471 2.326 50 0 GEAAHN O=C1NC(=O)C2(CCN(Cc3ccc(Br)c4cccnc34)CC2)N1 ZINC000096003575 222369521 /nfs/dbraw/zinc/36/95/21/222369521.db2.gz UIBOUTPBZDQUMC-UHFFFAOYSA-N 0 3 389.253 2.171 50 0 GEAAHN Cc1cccc(Cn2nc(-c3ccncc3)nc2C[C@@H]2CN(C)CCN2C)c1 ZINC000096162944 222393721 /nfs/dbraw/zinc/39/37/21/222393721.db2.gz NNNLERQAHLBBBP-HXUWFJFHSA-N 0 3 376.508 2.485 50 0 GEAAHN CCCN1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3CN1)CC2 ZINC000096132751 528262075 /nfs/dbraw/zinc/26/20/75/528262075.db2.gz MAIFQHQPOHZFEQ-HXUWFJFHSA-N 0 3 393.535 2.210 50 0 GEAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000095477173 535568088 /nfs/dbraw/zinc/56/80/88/535568088.db2.gz KXTWGSVDXOVHBN-OAHLLOKOSA-N 0 3 399.944 2.484 50 0 GEAAHN CCc1n[nH]c2c1CN(C(=O)CCN1CCN(c3cccc(C)c3)CC1)CC2 ZINC000095352243 536011456 /nfs/dbraw/zinc/01/14/56/536011456.db2.gz JKQGWZIIHQMKAS-UHFFFAOYSA-N 0 3 381.524 2.378 50 0 GEAAHN CCc1nc2cc(N3CCC[C@@H](C(=O)NCCN(C)C)C3)cnc2nc1CC ZINC000096387355 536157072 /nfs/dbraw/zinc/15/70/72/536157072.db2.gz OCTREMKDIRSSDR-OAHLLOKOSA-N 0 3 384.528 2.044 50 0 GEAAHN Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)[nH]n1 ZINC000019743948 570213305 /nfs/dbraw/zinc/21/33/05/570213305.db2.gz AGZBKQVVVOCVPZ-FQEVSTJZSA-N 0 3 397.523 2.229 50 0 GEAAHN Cc1cc(CN2CCC[C@H](N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2)n[nH]1 ZINC000019743948 570213309 /nfs/dbraw/zinc/21/33/09/570213309.db2.gz AGZBKQVVVOCVPZ-FQEVSTJZSA-N 0 3 397.523 2.229 50 0 GEAAHN Cc1cccn2c(CN[C@@H](C)Cc3cccnc3)c(C(=O)N3CCOCC3)nc12 ZINC000019838839 570223992 /nfs/dbraw/zinc/22/39/92/570223992.db2.gz VTGMIMWMEQBCEN-KRWDZBQOSA-N 0 3 393.491 2.231 50 0 GEAAHN NC(=O)[C@@H]1CCCN(CCNC(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000097600939 570247455 /nfs/dbraw/zinc/24/74/55/570247455.db2.gz LLMCMKQKBLQCNA-GFCCVEGCSA-N 0 3 375.860 2.207 50 0 GEAAHN O=C(NCCN1CCC[C@@H](c2ccccc2)C1)c1cccc(-n2cnnc2)n1 ZINC000097797244 570256356 /nfs/dbraw/zinc/25/63/56/570256356.db2.gz LNVBJTLYGTUCNV-GOSISDBHSA-N 0 3 376.464 2.272 50 0 GEAAHN CN(C)C(=O)c1cccc(S(=O)(=O)NCC2(N3CCCC3)CCCC2)c1 ZINC000216375179 570300211 /nfs/dbraw/zinc/30/02/11/570300211.db2.gz OYFRZOKYAUZAQD-UHFFFAOYSA-N 0 3 379.526 2.075 50 0 GEAAHN COc1cccc(N2CCN(Cc3cccc(C(=O)NCCN(C)C)c3)CC2)c1 ZINC000034684822 570301736 /nfs/dbraw/zinc/30/17/36/570301736.db2.gz JJEUNSWXPPZGHQ-UHFFFAOYSA-N 0 3 396.535 2.309 50 0 GEAAHN Cc1ccsc1CN1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000023366737 570357171 /nfs/dbraw/zinc/35/71/71/570357171.db2.gz FLLHOOYOKZLVFN-UHFFFAOYSA-N 0 3 382.493 2.031 50 0 GEAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000004112521 570357822 /nfs/dbraw/zinc/35/78/22/570357822.db2.gz CHWYCGGRPOBOJG-UHFFFAOYSA-N 0 3 388.556 2.471 50 0 GEAAHN OCCN(CCO)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004264131 570364567 /nfs/dbraw/zinc/36/45/67/570364567.db2.gz STPQBRUWBPEJCN-RXXSEBCPSA-N 0 3 389.536 2.181 50 0 GEAAHN C[C@@H](Oc1ccc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)cc1)C(=O)[O-] ZINC000219508016 570364867 /nfs/dbraw/zinc/36/48/67/570364867.db2.gz MICUWOALKPOURW-QGZVFWFLSA-N 0 3 376.497 2.209 50 0 GEAAHN COCCn1cncc1CNC1CCN(c2ccc(-n3cccn3)cc2)CC1 ZINC000023581005 570365821 /nfs/dbraw/zinc/36/58/21/570365821.db2.gz XPYUNKOARWWXKH-UHFFFAOYSA-N 0 3 380.496 2.474 50 0 GEAAHN CCN1CCC[C@@H]1CN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 ZINC000226356212 570375250 /nfs/dbraw/zinc/37/52/50/570375250.db2.gz RINLSZMCNROFFG-RDTXWAMCSA-N 0 3 386.521 2.343 50 0 GEAAHN O=C(CN1CCCCCCC1)N[C@@H]1CCOC[C@H]1Oc1ccc(CO)cc1 ZINC000219983920 570379915 /nfs/dbraw/zinc/37/99/15/570379915.db2.gz UOIWJCQXYWWYMW-WOJBJXKFSA-N 0 3 376.497 2.098 50 0 GEAAHN CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004969202 570383992 /nfs/dbraw/zinc/38/39/92/570383992.db2.gz QZYZQTAXJHZGNN-UHFFFAOYSA-N 0 3 381.542 2.386 50 0 GEAAHN Cc1ccc(CN(C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 ZINC000024812960 570393942 /nfs/dbraw/zinc/39/39/42/570393942.db2.gz YURAVCFSFDXEDM-UHFFFAOYSA-N 0 3 386.496 2.411 50 0 GEAAHN COc1ccc(/C=C(\NC(=O)c2ccc(C)cc2)C(=O)NCCN(C)C)cc1 ZINC000004804025 570406307 /nfs/dbraw/zinc/40/63/07/570406307.db2.gz SJRZCSKVPSOZAL-HKWRFOASSA-N 0 3 381.476 2.452 50 0 GEAAHN COCCN(Cc1ccc(OC)c(OC)c1)C[C@@H](O)COCc1ccco1 ZINC000036095678 570535087 /nfs/dbraw/zinc/53/50/87/570535087.db2.gz XOEPAJJLTNUUAU-QGZVFWFLSA-N 0 3 379.453 2.323 50 0 GEAAHN CN(C(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)cc1)[C@H]1CCCN(C)C1 ZINC000188073767 570535337 /nfs/dbraw/zinc/53/53/37/570535337.db2.gz SUZZLUAGZBEAKT-KRWDZBQOSA-N 0 3 398.511 2.452 50 0 GEAAHN Cc1ccc(CN(CCN2CCOCC2)C[C@H](O)COCC(C)C)c(C)c1 ZINC000036098865 570536691 /nfs/dbraw/zinc/53/66/91/570536691.db2.gz SWJOZXOGUIGGKK-QFIPXVFZSA-N 0 3 378.557 2.471 50 0 GEAAHN C[C@H]1CCCCN1CCNC(=O)CCCn1c(=O)c2cccn2c2cccnc21 ZINC000006797600 570597883 /nfs/dbraw/zinc/59/78/83/570597883.db2.gz VJAXVIQYHTWKRX-KRWDZBQOSA-N 0 3 395.507 2.420 50 0 GEAAHN O=C(Nc1cccc(C(=O)NCCN2CCCC2)c1)c1nnc(C2CC2)s1 ZINC000033023048 570650423 /nfs/dbraw/zinc/65/04/23/570650423.db2.gz LCYMXEVDVITLPB-UHFFFAOYSA-N 0 3 385.493 2.493 50 0 GEAAHN CC(C)(N)c1cn(CC2CCN(C(=O)c3ccccc3-n3cccn3)CC2)nn1 ZINC000048139941 570655836 /nfs/dbraw/zinc/65/58/36/570655836.db2.gz VRIURTAEHIQBFJ-UHFFFAOYSA-N 0 3 393.495 2.210 50 0 GEAAHN CCCN1CCCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1=O ZINC000240454684 570685067 /nfs/dbraw/zinc/68/50/67/570685067.db2.gz FYCOLDNRNHRAPY-UHFFFAOYSA-N 0 3 387.528 2.305 50 0 GEAAHN O=C(NCCN1CCCCC1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256357 570755150 /nfs/dbraw/zinc/75/51/50/570755150.db2.gz UWXBNVCZISXNAS-NRFANRHFSA-N 0 3 393.535 2.448 50 0 GEAAHN C[C@@H](CO)N1CCC2(CC1)C(=O)N(Cc1ccc3ccccc3c1)C(=O)N2C ZINC000014732101 570857430 /nfs/dbraw/zinc/85/74/30/570857430.db2.gz HQDGTWDZAQTCQN-INIZCTEOSA-N 0 3 381.476 2.449 50 0 GEAAHN CCN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CCN([C@@H](C)COC)CC2 ZINC000014732977 570858008 /nfs/dbraw/zinc/85/80/08/570858008.db2.gz LRVDXZONAUPOQL-INIZCTEOSA-N 0 3 385.508 2.307 50 0 GEAAHN Nc1nnc(SCC(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)s1 ZINC000004720669 570863600 /nfs/dbraw/zinc/86/36/00/570863600.db2.gz IMBXRTOIKBHZAV-UHFFFAOYSA-N 0 3 393.582 2.325 50 0 GEAAHN CCn1c2ccccc2nc(SCC(=O)NCCN2CCCC[C@@H]2C)c1=O ZINC000033259822 570868705 /nfs/dbraw/zinc/86/87/05/570868705.db2.gz AOWQQRZSIPUWBM-HNNXBMFYSA-N 0 3 388.537 2.499 50 0 GEAAHN O=C(NC[C@H]1CCN(Cc2ccccc2)C1)Nc1cccc(-n2cnnn2)c1 ZINC000299770067 570893948 /nfs/dbraw/zinc/89/39/48/570893948.db2.gz ZCXQRKDYMIXAKL-QGZVFWFLSA-N 0 3 377.452 2.306 50 0 GEAAHN CN(C)[C@H]1CN(C(=O)c2ccc(-c3cccc4c(N)ccnc43)cc2)C[C@@H]1O ZINC000534584981 570904070 /nfs/dbraw/zinc/90/40/70/570904070.db2.gz QHVILPHGLFDUQQ-PMACEKPBSA-N 0 3 376.460 2.061 50 0 GEAAHN Cc1nn(C(F)F)cc1-c1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc1 ZINC000534659695 570916909 /nfs/dbraw/zinc/91/69/09/570916909.db2.gz NDWOXCXYJGBKOA-IBGZPJMESA-N 0 3 378.423 2.392 50 0 GEAAHN O=C(CNC[C@H]1CCCO1)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000236589059 570943435 /nfs/dbraw/zinc/94/34/35/570943435.db2.gz XMDHHJOOLZSQGR-CZUORRHYSA-N 0 3 383.286 2.118 50 0 GEAAHN CN(C)CCNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1cn(C)c2ccccc12 ZINC000004734641 570949109 /nfs/dbraw/zinc/94/91/09/570949109.db2.gz RMDRIWNWNISFAX-JOCHJYFZSA-N 0 3 390.487 2.401 50 0 GEAAHN COc1cc(S(=O)(=O)NCC2CCN(c3ccncc3)CC2)ccc1F ZINC000252548537 570995093 /nfs/dbraw/zinc/99/50/93/570995093.db2.gz QASSGEVCINSNQL-UHFFFAOYSA-N 0 3 379.457 2.424 50 0 GEAAHN O=C(CN1CCCCCCC1)N1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000091364577 571004584 /nfs/dbraw/zinc/00/45/84/571004584.db2.gz ZFSQQHHDVBFZAN-AZUAARDMSA-N 0 3 384.524 2.411 50 0 GEAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCc3cc(C4CC4)n[nH]3)C2)cc1 ZINC000091364845 571004908 /nfs/dbraw/zinc/00/49/08/571004908.db2.gz KYBTZQNKLNFFIG-CVEARBPZSA-N 0 3 381.480 2.076 50 0 GEAAHN CN1CCN([C@H]2CCN(C(=O)c3ccc(Cl)s3)C[C@H]2CCCO)CC1 ZINC000091493621 571010849 /nfs/dbraw/zinc/01/08/49/571010849.db2.gz CDVUOPQZEOHNMW-CABCVRRESA-N 0 3 385.961 2.252 50 0 GEAAHN O=C(NC1CCN([C@H]2CCOC2)CC1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000084519385 571020607 /nfs/dbraw/zinc/02/06/07/571020607.db2.gz JYNHXNAJQVOZLA-VQTJNVASSA-N 0 3 389.565 2.146 50 0 GEAAHN COc1ccc(C[C@H](N)C(=O)N2CCC3(CC(=O)N(CC(C)C)C3)CC2)cc1 ZINC000091724285 571028029 /nfs/dbraw/zinc/02/80/29/571028029.db2.gz UFHVFYQVYLPCNC-IBGZPJMESA-N 0 3 387.524 2.062 50 0 GEAAHN CN1CCN(CCC(=O)N2CCC[C@@](C)(Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000091757229 571029838 /nfs/dbraw/zinc/02/98/38/571029838.db2.gz CPADKOAMVBUDBR-QFIPXVFZSA-N 0 3 387.524 2.224 50 0 GEAAHN C[C@H]1Oc2ccccc2N(CCC(=O)N(CCN(C)C)Cc2cccnc2)C1=O ZINC000084678099 571030670 /nfs/dbraw/zinc/03/06/70/571030670.db2.gz QXIRSFBJCLDEID-QGZVFWFLSA-N 0 3 396.491 2.176 50 0 GEAAHN CCN1CCC(NC(=O)CSc2nc3ccccc3n2CCOC)CC1 ZINC000011490179 571048435 /nfs/dbraw/zinc/04/84/35/571048435.db2.gz AINQTIFSNLWOQZ-UHFFFAOYSA-N 0 3 376.526 2.375 50 0 GEAAHN COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CCN(c1nnc3ccccn31)C2 ZINC000095359792 571054586 /nfs/dbraw/zinc/05/45/86/571054586.db2.gz CWDKRLRYGKVPSY-OPYAIIAOSA-N 0 3 385.512 2.073 50 0 GEAAHN Cc1sc2ccccc2c1CN1CC[C@@]2(O)CCN(S(C)(=O)=O)C[C@H]2C1 ZINC000095363929 571056846 /nfs/dbraw/zinc/05/68/46/571056846.db2.gz KZLOEHYLOZCSMJ-DNVCBOLYSA-N 0 3 394.562 2.428 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)c3ccc[nH]c3=O)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095368758 571059811 /nfs/dbraw/zinc/05/98/11/571059811.db2.gz CGBKJVLRURFYAK-XUVXKRRUSA-N 0 3 379.460 2.086 50 0 GEAAHN CCn1c2ccccc2nc1CN1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000095372792 571062192 /nfs/dbraw/zinc/06/21/92/571062192.db2.gz GKRWIABMGRKFIU-FCGDIQPGSA-N 0 3 386.540 2.206 50 0 GEAAHN Cc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095509382 571080659 /nfs/dbraw/zinc/08/06/59/571080659.db2.gz QLKGFVZYYJEHNE-GOSISDBHSA-N 0 3 382.508 2.413 50 0 GEAAHN Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(C)[n-]c2=O)C1 ZINC000095509382 571080662 /nfs/dbraw/zinc/08/06/62/571080662.db2.gz QLKGFVZYYJEHNE-GOSISDBHSA-N 0 3 382.508 2.413 50 0 GEAAHN Nc1ccncc1-c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000426518370 231233999 /nfs/dbraw/zinc/23/39/99/231233999.db2.gz SJDYZKGSCOQINP-IBGZPJMESA-N 0 3 380.492 2.488 50 0 GEAAHN COCc1nc([C@H]2CCOC2)cc(N2CCC(N3CCSCC3)CC2)n1 ZINC000426612747 231246053 /nfs/dbraw/zinc/24/60/53/231246053.db2.gz YXVSOESNSWOTHD-HNNXBMFYSA-N 0 3 378.542 2.145 50 0 GEAAHN CNC(=O)CCc1cccc(NC(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000426652100 529860234 /nfs/dbraw/zinc/86/02/34/529860234.db2.gz UTMUNWLJDLWCBA-LJQANCHMSA-N 0 3 388.512 2.130 50 0 GEAAHN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCN1CCC[C@H](C(N)=O)C1 ZINC000426640570 529993088 /nfs/dbraw/zinc/99/30/88/529993088.db2.gz VNQCJAJPAXOZCM-AWEZNQCLSA-N 0 3 386.418 2.044 50 0 GEAAHN CN1CCN(CC2CCN(C(=O)NCCCc3ccc(F)cc3)CC2)CC1 ZINC000426388577 530071861 /nfs/dbraw/zinc/07/18/61/530071861.db2.gz VDNZYXBVIVSRND-UHFFFAOYSA-N 0 3 376.520 2.427 50 0 GEAAHN Cn1cc(CCN2CCC(C(=O)Nc3ccccc3Br)CC2)nn1 ZINC000625239707 532417120 /nfs/dbraw/zinc/41/71/20/532417120.db2.gz BYTPBBNKKDLRHC-UHFFFAOYSA-N 0 3 392.301 2.471 50 0 GEAAHN Cc1c(Cl)cccc1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC000001459869 212245960 /nfs/dbraw/zinc/24/59/60/212245960.db2.gz RMYONYIOLNNICI-UHFFFAOYSA-N 0 3 392.931 2.393 50 0 GEAAHN COC(=O)C[C@@H]1N[C@H](c2ccccc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]12 ZINC000020247149 212151459 /nfs/dbraw/zinc/15/14/59/212151459.db2.gz WKDOKAJMYXLYHS-OJAHFUOMSA-N 0 3 378.428 2.064 50 0 GEAAHN CC(C)CCN1CCN(Cc2ccc(Sc3nncn3C)o2)C[C@H]1CCO ZINC000036385718 212119278 /nfs/dbraw/zinc/11/92/78/212119278.db2.gz JIDYSWYMEOFJJK-MRXNPFEDSA-N 0 3 393.557 2.474 50 0 GEAAHN CN(C)S(=O)(=O)c1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1 ZINC000007923424 221016609 /nfs/dbraw/zinc/01/66/09/221016609.db2.gz LLMQBMRGSCGSGX-UHFFFAOYSA-N 0 3 389.521 2.189 50 0 GEAAHN CCN(Cc1ccncc1)Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000011818109 221127863 /nfs/dbraw/zinc/12/78/63/221127863.db2.gz NHEUFEXDVMWRAW-QFIPXVFZSA-N 0 3 399.535 2.300 50 0 GEAAHN COCCN1CCC[C@H](CNc2nc3nonc3nc2NC2CCCC2)C1 ZINC000011874180 221133306 /nfs/dbraw/zinc/13/33/06/221133306.db2.gz WJAOWDBGIBFIPS-CYBMUJFWSA-N 0 3 375.477 2.138 50 0 GEAAHN CN(C[C@H]1CCCN1C)c1ccc(C(=O)N2CCC(Cn3cccn3)CC2)cn1 ZINC000011873710 221133390 /nfs/dbraw/zinc/13/33/90/221133390.db2.gz ULASPWIROQVGTO-HXUWFJFHSA-N 0 3 396.539 2.361 50 0 GEAAHN CN(CCNC(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1)CCc1ccccc1 ZINC000011668176 221120362 /nfs/dbraw/zinc/12/03/62/221120362.db2.gz LXCGEMQXGYLYNU-FQEVSTJZSA-N 0 3 394.519 2.111 50 0 GEAAHN O=C(CN1CCOC1=O)N1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1)C2 ZINC000011932905 221138071 /nfs/dbraw/zinc/13/80/71/221138071.db2.gz YZOYKAPNPSSFAC-HXUWFJFHSA-N 0 3 375.444 2.092 50 0 GEAAHN Cc1ccccc1[C@@]1(CC(=O)N(C)CC(C)C)CC(=O)N(CCN(C)C)C1=O ZINC000011978767 221141372 /nfs/dbraw/zinc/14/13/72/221141372.db2.gz QIHNCPUBZLJYLV-JOCHJYFZSA-N 0 3 387.524 2.058 50 0 GEAAHN CCOC[C@@H](O)CNC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1 ZINC000012207922 221167729 /nfs/dbraw/zinc/16/77/29/221167729.db2.gz PTAJOINCQAKAQK-KRWDZBQOSA-N 0 3 394.512 2.074 50 0 GEAAHN COC(=O)c1c(OC(C)C)cc(=O)n2c1CCN(C1CCSCC1)CC2 ZINC000012283320 221174055 /nfs/dbraw/zinc/17/40/55/221174055.db2.gz XRGPPRYHSGUAEE-UHFFFAOYSA-N 0 3 380.510 2.176 50 0 GEAAHN CC(C)CN1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000012434149 221193652 /nfs/dbraw/zinc/19/36/52/221193652.db2.gz IBPWTLOJWNMVKE-INIZCTEOSA-N 0 3 391.903 2.021 50 0 GEAAHN Cc1ccccc1-n1nnnc1SCC(=O)NC[C@H](c1ccccc1)N(C)C ZINC000016222890 221359436 /nfs/dbraw/zinc/35/94/36/221359436.db2.gz YFCJSLPHPCJKPP-GOSISDBHSA-N 0 3 396.520 2.482 50 0 GEAAHN Cc1ccccc1NC(=O)N1CCN(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000065363647 136163444 /nfs/dbraw/zinc/16/34/44/136163444.db2.gz BZGMZZCZSGLPDI-UHFFFAOYSA-N 0 3 396.495 2.284 50 0 GEAAHN CCN(CC)C(=O)[C@@H]1CCCN(c2nc(-c3ccncc3)nc3c2CCNC3)C1 ZINC000071764208 136166390 /nfs/dbraw/zinc/16/63/90/136166390.db2.gz NKWYVUKDJYJIOK-QGZVFWFLSA-N 0 3 394.523 2.269 50 0 GEAAHN Cn1ncc2c1nc(C1CCCC1)nc2N1CCN(CC2CC2)[C@H](CCO)C1 ZINC000072163459 136167319 /nfs/dbraw/zinc/16/73/19/136167319.db2.gz VRRKWDYVNMVOGR-QGZVFWFLSA-N 0 3 384.528 2.304 50 0 GEAAHN CNc1cc(C)nc(N2CC[C@@H]3C[C@H](N4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095368104 136178213 /nfs/dbraw/zinc/17/82/13/136178213.db2.gz HGRAFHQALPKHEJ-OPYAIIAOSA-N 0 3 389.544 2.171 50 0 GEAAHN CC(C)CCn1c(=O)[nH]c(=O)c2c1NC(=O)CC2C(=O)Nc1ccccc1F ZINC000049551845 222000392 /nfs/dbraw/zinc/00/03/92/222000392.db2.gz NIGDJSVAVSNYCW-NSHDSACASA-N 0 3 388.399 2.436 50 0 GEAAHN CS(=O)(=O)Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000055104954 222016368 /nfs/dbraw/zinc/01/63/68/222016368.db2.gz RANMUPICKSVFRC-UHFFFAOYSA-N 0 3 387.505 2.453 50 0 GEAAHN CCOC(=O)C1CCN([C@@H](C)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000058441185 222054522 /nfs/dbraw/zinc/05/45/22/222054522.db2.gz WBTFWQUUBCFYDB-PXNSSMCTSA-N 0 3 387.524 2.041 50 0 GEAAHN Cn1nnnc1SCCNCc1cccc(-c2cc(N3CCCC3)cnn2)c1 ZINC000063885234 222068661 /nfs/dbraw/zinc/06/86/61/222068661.db2.gz CSUPZEYECPRAJF-UHFFFAOYSA-N 0 3 396.524 2.149 50 0 GEAAHN O=C(CCNc1cnc2cnccn12)NC1CCN(Cc2ccccc2)CC1 ZINC000064758193 222080695 /nfs/dbraw/zinc/08/06/95/222080695.db2.gz VCGPCMMOPOQNEA-UHFFFAOYSA-N 0 3 378.480 2.312 50 0 GEAAHN CN1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 ZINC000065361873 222124532 /nfs/dbraw/zinc/12/45/32/222124532.db2.gz KSKBTRAJPGDHCT-UHFFFAOYSA-N 0 3 387.505 2.092 50 0 GEAAHN CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3C[C@H](C)C[C@@H](C)C3)ccc21 ZINC000067604258 222150072 /nfs/dbraw/zinc/15/00/72/222150072.db2.gz XCWPYUNMWVKEHQ-HZPDHXFCSA-N 0 3 393.553 2.242 50 0 GEAAHN COc1cccc(CN2CCC[C@@](O)(CNCc3cccs3)C2=O)c1OC ZINC000067675055 222154522 /nfs/dbraw/zinc/15/45/22/222154522.db2.gz ZOFLQGUMRNPOCE-HXUWFJFHSA-N 0 3 390.505 2.409 50 0 GEAAHN CN1CCC(O)(CNC(=O)c2cc(COc3ccc4c(c3)CCCC4)on2)CC1 ZINC000067713443 222155874 /nfs/dbraw/zinc/15/58/74/222155874.db2.gz MBAZRQPPYKDPQM-UHFFFAOYSA-N 0 3 399.491 2.319 50 0 GEAAHN CC(C)C[C@H](NC(=O)c1cnc2ccccc2c1)c1nnc2n1CCNCC2 ZINC000067821002 222160953 /nfs/dbraw/zinc/16/09/53/222160953.db2.gz PCBICQLIZFMGKR-SFHVURJKSA-N 0 3 378.480 2.489 50 0 GEAAHN COc1ccc2nc(-c3cc4n(n3)CCCN(c3cc(N)ncn3)C4)[nH]c2c1 ZINC000067967132 222168535 /nfs/dbraw/zinc/16/85/35/222168535.db2.gz CBRIPFRXPFKJDH-UHFFFAOYSA-N 0 3 376.424 2.218 50 0 GEAAHN Cn1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2c1=O ZINC000068927188 222172362 /nfs/dbraw/zinc/17/23/62/222172362.db2.gz VLFSIUBCPBERFO-UHFFFAOYSA-N 0 3 376.460 2.328 50 0 GEAAHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000069979720 222176095 /nfs/dbraw/zinc/17/60/95/222176095.db2.gz ATONXPXBZFZBNB-SLFFLAALSA-N 0 3 397.519 2.333 50 0 GEAAHN NC(=O)C1(N2CCCCC2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000071768171 222195784 /nfs/dbraw/zinc/19/57/84/222195784.db2.gz DRAVSGATCMOMTG-UHFFFAOYSA-N 0 3 382.508 2.433 50 0 GEAAHN O=C(CCCn1cncn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072120670 222207714 /nfs/dbraw/zinc/20/77/14/222207714.db2.gz STRFQMLFILEQLT-CEWLAPEOSA-N 0 3 383.471 2.286 50 0 GEAAHN COC(=O)c1cc(N2C[C@H](c3ccccc3OC)[C@@H]3[C@H]2C2CCN3CC2)ncn1 ZINC000072153136 222212167 /nfs/dbraw/zinc/21/21/67/222212167.db2.gz XANXDLHIFBXSBQ-MAODMQOUSA-N 0 3 394.475 2.338 50 0 GEAAHN CN(C)Cc1ccc(CNC(=O)CN2CCN(Cc3cccs3)CC2)cc1 ZINC000072318951 222226607 /nfs/dbraw/zinc/22/66/07/222226607.db2.gz XAKZYWCDXJJFIS-UHFFFAOYSA-N 0 3 386.565 2.244 50 0 GEAAHN Cc1ccc(N2CC[C@H](CNC(=O)CCc3cc4n(n3)CCCNC4)C2)cc1 ZINC000072467970 222263426 /nfs/dbraw/zinc/26/34/26/222263426.db2.gz ZVUNNTYBWRMXER-GOSISDBHSA-N 0 3 381.524 2.260 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(NC(=O)c2cccnc2N(C)C)cc1Cl ZINC000089314338 222327917 /nfs/dbraw/zinc/32/79/17/222327917.db2.gz HLSZJXWYXKNOOV-UHFFFAOYSA-N 0 3 389.887 2.345 50 0 GEAAHN CN([C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O)C1CCN(C)CC1 ZINC000095483549 222331585 /nfs/dbraw/zinc/33/15/85/222331585.db2.gz XDKJCSBUXWAHAE-HNNXBMFYSA-N 0 3 380.286 2.107 50 0 GEAAHN COc1cc(CN(C)Cc2cc(C)on2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095519607 222345633 /nfs/dbraw/zinc/34/56/33/222345633.db2.gz NXSDQKWHGAAYCV-LJQANCHMSA-N 0 3 389.496 2.459 50 0 GEAAHN CN(C)CCN1CC2(CCN(C(=O)c3cnc4ccccc4c3)CC2)OC1=O ZINC000077459983 222283183 /nfs/dbraw/zinc/28/31/83/222283183.db2.gz NTOBPSKAEGOZHQ-UHFFFAOYSA-N 0 3 382.464 2.223 50 0 GEAAHN COc1ccc(CN2CCC(CO)CC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000095516906 222343824 /nfs/dbraw/zinc/34/38/24/222343824.db2.gz HXNCJKCDAXCRTM-HXUWFJFHSA-N 0 3 392.540 2.125 50 0 GEAAHN Cc1ncn(CC(=O)N2CCC3(CC2)c2[nH]cnc2CCN3CC(C)C)c1C ZINC000095519836 222346715 /nfs/dbraw/zinc/34/67/15/222346715.db2.gz UNDMBOZDJMPCQO-UHFFFAOYSA-N 0 3 384.528 2.255 50 0 GEAAHN Cc1cccc(NC(=O)CCC2CCN(C(=O)[C@H]3[C@@H](N)[C@@H]4C=C[C@H]3O4)CC2)c1 ZINC000095524633 222349448 /nfs/dbraw/zinc/34/94/48/222349448.db2.gz HJTKDLZHKXKCGL-JYRKZWEQSA-N 0 3 383.492 2.233 50 0 GEAAHN Cc1cc(N)n(CC(=O)N2C[C@H](c3ccc(C)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095526622 222350748 /nfs/dbraw/zinc/35/07/48/222350748.db2.gz TWTDAERPALNEBP-STZQEDGTSA-N 0 3 379.508 2.171 50 0 GEAAHN COc1ccc(O)cc1CN1CCC2(CC1)c1[nH]cnc1CCN2C(=O)C1CC1 ZINC000095529258 222352030 /nfs/dbraw/zinc/35/20/30/222352030.db2.gz RKTYZHOGRHOXEN-UHFFFAOYSA-N 0 3 396.491 2.410 50 0 GEAAHN COCCN1CCC(CN(Cc2ccncc2)C(=O)c2cnc(C)cn2)CC1 ZINC000095530505 222353744 /nfs/dbraw/zinc/35/37/44/222353744.db2.gz LIXQUGWTWQXXQW-UHFFFAOYSA-N 0 3 383.496 2.181 50 0 GEAAHN CNS(=O)(=O)c1cccc(CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000095995521 222368513 /nfs/dbraw/zinc/36/85/13/222368513.db2.gz LYEUVLODHPQWPC-YOEHRIQHSA-N 0 3 397.541 2.330 50 0 GEAAHN CN(C(=O)Nc1ccc(-n2cnnn2)cc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000096166871 222394581 /nfs/dbraw/zinc/39/45/81/222394581.db2.gz FOXCHETZQQOJCY-LJQANCHMSA-N 0 3 377.452 2.401 50 0 GEAAHN COC(=O)c1ccc(-c2ccc(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)cc2)c(C)c1 ZINC000426503014 533943671 /nfs/dbraw/zinc/94/36/71/533943671.db2.gz AJMVKIJQTDNJFX-PMACEKPBSA-N 0 3 382.460 2.196 50 0 GEAAHN CCCn1cnnc1CN(C)C(=O)N[C@@H]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000426361097 528869184 /nfs/dbraw/zinc/86/91/84/528869184.db2.gz DINNXEVCSIEKGU-RBUKOAKNSA-N 0 3 384.528 2.393 50 0 GEAAHN CCc1cc(N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nc(-c2ccncc2)n1 ZINC000089282920 536145440 /nfs/dbraw/zinc/14/54/40/536145440.db2.gz PQFJOESGTLEELE-GOSISDBHSA-N 0 3 380.496 2.020 50 0 GEAAHN Cc1ccc(CN2CCC(c3nnc(CN4CCOCC4)n3C)CC2)s1 ZINC000096131604 570211227 /nfs/dbraw/zinc/21/12/27/570211227.db2.gz BHDFZYLKZLUBFC-UHFFFAOYSA-N 0 3 375.542 2.397 50 0 GEAAHN O=C([C@@H]1CCC(=O)N(Cc2ccccn2)C1)N1CCN(CC2CCCC2)CC1 ZINC000019740197 570212030 /nfs/dbraw/zinc/21/20/30/570212030.db2.gz LSUBJUDQCLJJSY-LJQANCHMSA-N 0 3 384.524 2.155 50 0 GEAAHN O=C(c1cc[nH]n1)N1CCC2(CC1)c1ccccc1[C@@H](N1CC=CCC1)[C@@H]2O ZINC000019771220 570218318 /nfs/dbraw/zinc/21/83/18/570218318.db2.gz BAXNMPXXQGMPDZ-UXHICEINSA-N 0 3 378.476 2.261 50 0 GEAAHN CCCn1nc(C(=O)N2CCN(C)CC2)c2c1CC[C@@H](N(C)Cc1ccco1)C2 ZINC000019799219 570220175 /nfs/dbraw/zinc/22/01/75/570220175.db2.gz YMOSIQVSGHIDAB-QGZVFWFLSA-N 0 3 399.539 2.263 50 0 GEAAHN CN1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCC(=O)N4)cn2)CC1 ZINC000048237139 570222271 /nfs/dbraw/zinc/22/22/71/570222271.db2.gz UMMWNUUGOAMMTD-UHFFFAOYSA-N 0 3 393.491 2.038 50 0 GEAAHN CCOC(=O)N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000020100450 570239328 /nfs/dbraw/zinc/23/93/28/570239328.db2.gz AMJIXWAMZLSWSH-UHFFFAOYSA-N 0 3 377.460 2.338 50 0 GEAAHN CCn1ccnc1CN1CCC2(CC1)CCN(Cc1ccccn1)C[C@@H]2CO ZINC000097402328 570243437 /nfs/dbraw/zinc/24/34/37/570243437.db2.gz FVXSFJAXIGUPKC-LJQANCHMSA-N 0 3 383.540 2.395 50 0 GEAAHN COc1cccc(CN2CCN(C(=O)c3cccc(-c4nnc[nH]4)c3)CC2)c1 ZINC000097717324 570251268 /nfs/dbraw/zinc/25/12/68/570251268.db2.gz XDDVMNBVQMPSRK-UHFFFAOYSA-N 0 3 377.448 2.438 50 0 GEAAHN Cc1cccc2[nH]c(CNC(=O)C(=O)Nc3ccc(OCCN(C)C)cc3)nc21 ZINC000159268702 570290737 /nfs/dbraw/zinc/29/07/37/570290737.db2.gz PDMHKSCMLYUFIA-UHFFFAOYSA-N 0 3 395.463 2.067 50 0 GEAAHN CC(C)(C)c1oc(C(N)=O)cc1CN1CCN(C2CCCC2)[C@@H](CCO)C1 ZINC000106994357 570307768 /nfs/dbraw/zinc/30/77/68/570307768.db2.gz FXCUVTPPPRKWFG-KRWDZBQOSA-N 0 3 377.529 2.487 50 0 GEAAHN COc1c(F)c(F)c(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)c(F)c1F ZINC000107407863 570309656 /nfs/dbraw/zinc/30/96/56/570309656.db2.gz ONBOAKQQZWFVOB-GOSISDBHSA-N 0 3 389.393 2.038 50 0 GEAAHN COc1cc(CN2CCN(C)[C@@]3(C2)CCNC(=O)CC3)cc(Cl)c1OC ZINC000107417807 570310038 /nfs/dbraw/zinc/31/00/38/570310038.db2.gz JJNHVEGGOXPAQD-LJQANCHMSA-N 0 3 381.904 2.144 50 0 GEAAHN OCC[C@H]1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1 ZINC000022932529 570337207 /nfs/dbraw/zinc/33/72/07/570337207.db2.gz JKVZOAYYSSAHOQ-NRFANRHFSA-N 0 3 391.519 2.379 50 0 GEAAHN CC(C)(N)c1cn(C[C@H]2CCCN(C(=O)NCCc3ccc(F)cc3)C2)nn1 ZINC000023214158 570349967 /nfs/dbraw/zinc/34/99/67/570349967.db2.gz JGBMHHRDISDLDP-INIZCTEOSA-N 0 3 388.491 2.275 50 0 GEAAHN CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(Br)c3)C2)CC1 ZINC000004746160 570401625 /nfs/dbraw/zinc/40/16/25/570401625.db2.gz JBWHRAYEOHUJDU-MRXNPFEDSA-N 0 3 380.330 2.435 50 0 GEAAHN CN(C)[C@@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)Cc1ccccc1 ZINC000032983490 570572111 /nfs/dbraw/zinc/57/21/11/570572111.db2.gz WMMBOCBBXDUEOK-LJQANCHMSA-N 0 3 378.476 2.459 50 0 GEAAHN Cc1ccc(NC(=O)c2nnc(CSCC(=O)NCCN(C)C)s2)cc1 ZINC000032987054 570574123 /nfs/dbraw/zinc/57/41/23/570574123.db2.gz HETSUYBHBXUJIA-UHFFFAOYSA-N 0 3 393.538 2.010 50 0 GEAAHN O=C(CN1C(=O)CSc2ncccc21)NC1CCN(Cc2ccccc2)CC1 ZINC000006802511 570604045 /nfs/dbraw/zinc/60/40/45/570604045.db2.gz ZHHPXWPJZPETQP-UHFFFAOYSA-N 0 3 396.516 2.301 50 0 GEAAHN O=C(CCCn1nnc2ccccc2c1=O)N1CCN(C2CCCCC2)CC1 ZINC000002932903 570614468 /nfs/dbraw/zinc/61/44/68/570614468.db2.gz MMORFJOKSXXIRR-UHFFFAOYSA-N 0 3 383.496 2.049 50 0 GEAAHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1nnc2ccccc2c1=O ZINC000044450504 570633226 /nfs/dbraw/zinc/63/32/26/570633226.db2.gz DAVDTHFMJDFJLN-MRXNPFEDSA-N 0 3 391.475 2.133 50 0 GEAAHN c1cnn(CCCNCc2cccnc2N2CCN(c3ccccn3)CC2)c1 ZINC000012479000 570674162 /nfs/dbraw/zinc/67/41/62/570674162.db2.gz XZBLRKBEEUENGD-UHFFFAOYSA-N 0 3 377.496 2.180 50 0 GEAAHN CCOC(=O)C1CCN(C(=O)c2nc(C)n(C3CCN(C)CC3)c2C)CC1 ZINC000065257318 570755748 /nfs/dbraw/zinc/75/57/48/570755748.db2.gz PCIIRGLBLCKXGA-UHFFFAOYSA-N 0 3 376.501 2.182 50 0 GEAAHN CC(=O)N(C)c1ccc(NC(=O)CNC[C@@H]2Cc3ccccc3CN2C)cc1 ZINC000065393582 570764513 /nfs/dbraw/zinc/76/45/13/570764513.db2.gz RVHIOOSCBVDJPM-NRFANRHFSA-N 0 3 380.492 2.254 50 0 GEAAHN CCCS(=O)(=O)N1CCC[C@H](C(=O)NCCCN(C)Cc2ccccc2)C1 ZINC000004437329 570767823 /nfs/dbraw/zinc/76/78/23/570767823.db2.gz ROAMKAQTTHWHOX-IBGZPJMESA-N 0 3 395.569 2.077 50 0 GEAAHN O=C1C[C@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@H]1[C@H]1NCCc2ccccc21 ZINC000100888079 570779248 /nfs/dbraw/zinc/77/92/48/570779248.db2.gz IMMBZXHOHDEYNV-XCLNPWKQSA-N 0 3 376.416 2.241 50 0 GEAAHN Oc1c2onc(-c3ccccc3Cl)c2c(O)n1-c1ccc2c(c1)OCCO2 ZINC000101360702 570820154 /nfs/dbraw/zinc/82/01/54/570820154.db2.gz RRTAEMJYPVNKDX-NVXWUHKLSA-N 0 3 384.775 2.404 50 0 GEAAHN CNC(=O)Cc1cccc(NC(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000299759915 570892221 /nfs/dbraw/zinc/89/22/21/570892221.db2.gz PAPHVBLYOHSTIB-UHFFFAOYSA-N 0 3 376.526 2.020 50 0 GEAAHN Fc1cc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)ccc1-n1cncn1 ZINC000032900925 570897299 /nfs/dbraw/zinc/89/72/99/570897299.db2.gz NSMDHZKVVDQUNS-LJQANCHMSA-N 0 3 381.455 2.397 50 0 GEAAHN COc1ccc(OC)c2nc(N(C)C)c(CNCCCN3CCCC3=O)cc12 ZINC000299798894 570897657 /nfs/dbraw/zinc/89/76/57/570897657.db2.gz RWYPDLCOWBZOJB-UHFFFAOYSA-N 0 3 386.496 2.420 50 0 GEAAHN CCCn1cnc(S(=O)(=O)[N-]Cc2ccccc2OCC[NH+](CC)CC)c1 ZINC000089960733 570921498 /nfs/dbraw/zinc/92/14/98/570921498.db2.gz VUILJRYNQPAIGR-UHFFFAOYSA-N 0 3 394.541 2.492 50 0 GEAAHN OC[C@@H]1C[C@H](CN2CCOCC2)CN(Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091350812 571004106 /nfs/dbraw/zinc/00/41/06/571004106.db2.gz QWDNKOLMOFUECG-QZTJIDSGSA-N 0 3 376.545 2.220 50 0 GEAAHN CN1CCN(CCCN2C[C@@](C)(Cc3ccc4c(c3)OCO4)CCC2=O)CC1 ZINC000091426526 571007253 /nfs/dbraw/zinc/00/72/53/571007253.db2.gz ARAWJSKNTSQOON-JOCHJYFZSA-N 0 3 387.524 2.224 50 0 GEAAHN CCn1cc(CN2CCC[C@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(C)n1 ZINC000091644988 571021927 /nfs/dbraw/zinc/02/19/27/571021927.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 0 3 384.528 2.382 50 0 GEAAHN CCn1cc(CN2CCC[C@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(C)n1 ZINC000091644988 571021929 /nfs/dbraw/zinc/02/19/29/571021929.db2.gz MHRXQUBEYIPVLQ-NRFANRHFSA-N 0 3 384.528 2.382 50 0 GEAAHN Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc1Cl ZINC000091965016 571038091 /nfs/dbraw/zinc/03/80/91/571038091.db2.gz RPFRFVUKWCDTQY-QUCCMNQESA-N 0 3 393.959 2.499 50 0 GEAAHN CCc1ccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)s1 ZINC000092078001 571043830 /nfs/dbraw/zinc/04/38/30/571043830.db2.gz LJAMCAZGVBXZKV-AEFFLSMTSA-N 0 3 379.570 2.161 50 0 GEAAHN CN1CCN([C@H]2CCN(Cc3ccccc3OC(F)F)C[C@H]2CCCO)CC1 ZINC000095387008 571070837 /nfs/dbraw/zinc/07/08/37/571070837.db2.gz NUZHMRCQTVWINL-MJGOQNOKSA-N 0 3 397.510 2.498 50 0 GEAAHN CN(C)C(=O)N1CC[C@]2(O)CCN(CCCC(=O)c3ccc(F)cc3)C[C@@H]2C1 ZINC000095387994 571071178 /nfs/dbraw/zinc/07/11/78/571071178.db2.gz IMRVPODDNVBGBM-DYESRHJHSA-N 0 3 391.487 2.229 50 0 GEAAHN COc1cccc(CN2CCCCCC2)c1OC[C@@H](O)CN1CCOCC1 ZINC000095509401 571080674 /nfs/dbraw/zinc/08/06/74/571080674.db2.gz MCHWMCSMJKQSEH-IBGZPJMESA-N 0 3 378.513 2.143 50 0 GEAAHN COc1cccc(CN2CCN(C3CSCCSC3)C[C@H]2CCO)c1 ZINC000253966770 645571940 /nfs/dbraw/zinc/57/19/40/645571940.db2.gz OAOPRFDBTUADNO-QGZVFWFLSA-N 0 3 382.595 2.412 50 0 GEAAHN COCCN1CCC[C@H](CNS(=O)(=O)Cc2ccc(Cl)cc2F)C1 ZINC000670451397 652749268 /nfs/dbraw/zinc/74/92/68/652749268.db2.gz XCGQLXWJCDPYMY-CYBMUJFWSA-N 0 3 378.897 2.257 50 0 GEAAHN O=C(C[C@@H]1CCNC[C@H]1F)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000888101956 654066290 /nfs/dbraw/zinc/06/62/90/654066290.db2.gz RLWDOTPZMRLMIF-GXTWGEPZSA-N 0 3 396.264 2.365 50 0 GEAAHN CN(C(=O)c1ccc(-c2nc3ccccc3n2CCO)cc1)[C@@H]1CCN(C)C1 ZINC000426677399 231251395 /nfs/dbraw/zinc/25/13/95/231251395.db2.gz GSKNLPNMOIIWBZ-GOSISDBHSA-N 0 3 378.476 2.472 50 0 GEAAHN CCN(CC)CCNS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000170623945 531884328 /nfs/dbraw/zinc/88/43/28/531884328.db2.gz LBDYSNCIAWGSSS-UHFFFAOYSA-N 0 3 379.320 2.386 50 0 GEAAHN CC[C@@H](C(=O)NCCN1CCCC[C@H]1C)n1nc(C)n2c3ccoc3cc2c1=O ZINC000245276876 212135194 /nfs/dbraw/zinc/13/51/94/212135194.db2.gz YWBFFCPLXBDBOQ-ZBFHGGJFSA-N 0 3 399.495 2.492 50 0 GEAAHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000039945460 212119078 /nfs/dbraw/zinc/11/90/78/212119078.db2.gz RRKTZKIUPZVBMF-WGTFHQENSA-N 0 3 394.471 2.110 50 0 in-vitro GEAAHN C[C@@H](C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1)N1CCCC1 ZINC000091819560 533196603 /nfs/dbraw/zinc/19/66/03/533196603.db2.gz DORGSGGIXUHRIG-SFHVURJKSA-N 0 3 384.524 2.297 50 0 GEAAHN Cc1cccc(S(=O)(=O)NCCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000008230456 221032382 /nfs/dbraw/zinc/03/23/82/221032382.db2.gz JAENMZXRADFQOA-LJQANCHMSA-N 0 3 389.521 2.083 50 0 GEAAHN O=C(CN1CCN(c2nccs2)CC1)NC1CCN(Cc2ccccc2)CC1 ZINC000008767521 221056946 /nfs/dbraw/zinc/05/69/46/221056946.db2.gz ODCRRDOAYOEIRY-UHFFFAOYSA-N 0 3 399.564 2.046 50 0 GEAAHN COc1ccc([C@H](CNC(=O)CNC(=O)c2ccc(Cl)cc2)N(C)C)cc1 ZINC000009314994 221076855 /nfs/dbraw/zinc/07/68/55/221076855.db2.gz GVHJIFRWCIPAIM-SFHVURJKSA-N 0 3 389.883 2.498 50 0 GEAAHN Cc1ccc(N(CC(=O)NCCN(C)C)S(=O)(=O)c2ccccc2)c(C)c1 ZINC000010111515 221097699 /nfs/dbraw/zinc/09/76/99/221097699.db2.gz PPKJTFLQDQFIJF-UHFFFAOYSA-N 0 3 389.521 2.177 50 0 GEAAHN O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCN(CCCn2cccn2)C1 ZINC000011815810 221127886 /nfs/dbraw/zinc/12/78/86/221127886.db2.gz GWDNLOSCZJNRBZ-IBGZPJMESA-N 0 3 376.526 2.105 50 0 GEAAHN COc1ccc(C(=O)NCCc2nnc3n2CCN(CC(C)(C)C)CC3)cc1 ZINC000012027891 221143062 /nfs/dbraw/zinc/14/30/62/221143062.db2.gz BRWCDDYBPMDULO-UHFFFAOYSA-N 0 3 385.512 2.163 50 0 GEAAHN COc1ccccc1CCN1CCC(CN(C)C(=O)CN2CCCC2=O)CC1 ZINC000012315469 221180247 /nfs/dbraw/zinc/18/02/47/221180247.db2.gz MJUOOBXUUSIIOO-UHFFFAOYSA-N 0 3 387.524 2.031 50 0 GEAAHN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](N(C)CCc2ccccc2)C1 ZINC000012192924 221165688 /nfs/dbraw/zinc/16/56/88/221165688.db2.gz YPAKLBGPFIDZDJ-LJQANCHMSA-N 0 3 390.553 2.365 50 0 GEAAHN CCn1ccnc1CN1CCC[C@H](CCC(=O)N(C)C2CCN(C)CC2)C1 ZINC000012209559 221168145 /nfs/dbraw/zinc/16/81/45/221168145.db2.gz YDUOPSALEPKITC-GOSISDBHSA-N 0 3 375.561 2.448 50 0 GEAAHN COc1cccc(OC[C@H](O)CN2C(=O)CC[C@@H]2CCNCc2cccnc2)c1 ZINC000012247119 221173682 /nfs/dbraw/zinc/17/36/82/221173682.db2.gz QAGPLGZEBFJVSS-RTBURBONSA-N 0 3 399.491 2.001 50 0 GEAAHN CCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC000012526144 221201898 /nfs/dbraw/zinc/20/18/98/221201898.db2.gz UOFUCXXIHMZEPR-LJQANCHMSA-N 0 3 387.505 2.453 50 0 GEAAHN COc1ccccc1CCN1CCC[C@H](CN(C)C(=O)Cc2nonc2C)C1 ZINC000012714588 221220718 /nfs/dbraw/zinc/22/07/18/221220718.db2.gz XPECRGLAYICVDX-QGZVFWFLSA-N 0 3 386.496 2.342 50 0 GEAAHN Cc1sc2ncn(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C3)c(=O)c2c1C ZINC000014075764 221297732 /nfs/dbraw/zinc/29/77/32/221297732.db2.gz KEXYVPOSVQVLLU-QGZVFWFLSA-N 0 3 396.516 2.466 50 0 GEAAHN CN1C(=O)N(Cc2cccnc2)C(=O)C12CCN(Cc1cccc(O)c1)CC2 ZINC000014742691 221315577 /nfs/dbraw/zinc/31/55/77/221315577.db2.gz QHLWNUAFACGRHJ-UHFFFAOYSA-N 0 3 380.448 2.216 50 0 GEAAHN CN(C)Cc1cc(-c2ccccc2)ccc1OCC(=O)NCCn1cncn1 ZINC000015005101 221326188 /nfs/dbraw/zinc/32/61/88/221326188.db2.gz HYRCQICXPCFBJX-UHFFFAOYSA-N 0 3 379.464 2.202 50 0 GEAAHN CN(C)CCN(C)C(=O)c1cccc(OC2CCN(Cc3cc[nH]n3)CC2)c1 ZINC000015071268 221330574 /nfs/dbraw/zinc/33/05/74/221330574.db2.gz LUIKRUAQWRYHNN-UHFFFAOYSA-N 0 3 385.512 2.087 50 0 GEAAHN CCCCc1cnc2c(c(=O)n(C)c(=O)n2C)c1SCCN1CCCC1 ZINC000015883603 221351057 /nfs/dbraw/zinc/35/10/57/221351057.db2.gz WWOXLJCZIJXOJR-UHFFFAOYSA-N 0 3 376.526 2.163 50 0 GEAAHN Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@@H](c1ccccc1)N(C)C)C2=O ZINC000016599566 221366187 /nfs/dbraw/zinc/36/61/87/221366187.db2.gz YLCZDZGVKPNYOJ-IBGZPJMESA-N 0 3 379.460 2.400 50 0 GEAAHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CC1 ZINC000095397804 533294513 /nfs/dbraw/zinc/29/45/13/533294513.db2.gz ADTVJZBPNSPVPU-LSDHHAIUSA-N 0 3 380.435 2.460 50 0 GEAAHN CN(C)C(=O)CN1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000072166399 136167345 /nfs/dbraw/zinc/16/73/45/136167345.db2.gz YNBZGSUAHYZGOP-GOSISDBHSA-N 0 3 398.473 2.380 50 0 GEAAHN O=C(CC[C@H]1CCCN(Cc2cnc[nH]2)C1)N1CCN(c2ccccn2)CC1 ZINC000095509868 136180502 /nfs/dbraw/zinc/18/05/02/136180502.db2.gz FVIAOCYPQPOIFP-GOSISDBHSA-N 0 3 382.512 2.146 50 0 GEAAHN CN(C)C1(CNc2c(=O)c(=O)c2N2CCN(c3ccccc3)CC2)CCCCC1 ZINC000101697398 136189740 /nfs/dbraw/zinc/18/97/40/136189740.db2.gz YHGSOHVRDHLUNA-UHFFFAOYSA-N 0 3 396.535 2.286 50 0 GEAAHN COc1cccc(CNCc2n[nH]c(=O)c3ccccc23)c1OCCN(C)C ZINC000055119053 222016949 /nfs/dbraw/zinc/01/69/49/222016949.db2.gz PITLHRCTNUMRBV-UHFFFAOYSA-N 0 3 382.464 2.162 50 0 GEAAHN Nc1nnc(SCC(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)s1 ZINC000063833053 222067443 /nfs/dbraw/zinc/06/74/43/222067443.db2.gz YOWNXEJRFHGDBW-CQSZACIVSA-N 0 3 377.539 2.241 50 0 GEAAHN Cc1nnc(-c2coc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2)o1 ZINC000065246543 222114287 /nfs/dbraw/zinc/11/42/87/222114287.db2.gz HXCQTAQZGMZFAB-UHFFFAOYSA-N 0 3 380.470 2.277 50 0 GEAAHN COc1cccc(OC[C@H](O)CNc2ncnc3sc4c(c32)CCNC4)c1 ZINC000065384557 222127045 /nfs/dbraw/zinc/12/70/45/222127045.db2.gz VJZWSQZVCXYUSM-GFCCVEGCSA-N 0 3 386.477 2.197 50 0 GEAAHN C[C@H](C(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1)N1CCCC1 ZINC000065527375 222132844 /nfs/dbraw/zinc/13/28/44/222132844.db2.gz VKYYAVXPAFVXLQ-MRXNPFEDSA-N 0 3 381.480 2.352 50 0 GEAAHN CCN1CCN(CCNC(=O)c2sc(-n3cccc3)nc2C(C)C)CC1 ZINC000067350015 222146092 /nfs/dbraw/zinc/14/60/92/222146092.db2.gz MPDCMHZUMHILCO-UHFFFAOYSA-N 0 3 375.542 2.425 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CCn3cccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071748749 222190125 /nfs/dbraw/zinc/19/01/25/222190125.db2.gz MLIOIOFDWXMGTM-KSEOMHKRSA-N 0 3 380.492 2.371 50 0 GEAAHN CCOC(=O)N1CCC(Nc2nc(-c3cccnc3)nc3c2CCNC3)CC1 ZINC000067435018 222147178 /nfs/dbraw/zinc/14/71/78/222147178.db2.gz OIRJGQXWQNEHDM-UHFFFAOYSA-N 0 3 382.468 2.217 50 0 GEAAHN O=C(N[C@H]1CN[C@H](C(=O)NCCc2c[nH]c3ccccc23)C1)c1cccc(F)c1 ZINC000067588788 222149126 /nfs/dbraw/zinc/14/91/26/222149126.db2.gz UOBWAULCAYEJKA-XLIONFOSSA-N 0 3 394.450 2.126 50 0 GEAAHN CC[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000067621164 222151693 /nfs/dbraw/zinc/15/16/93/222151693.db2.gz DCDXPVMRFBCXAM-MRXNPFEDSA-N 0 3 387.933 2.095 50 0 GEAAHN CCN(CC)Cc1cnc2c(C(=O)Nc3ccc4c(c3)C(=O)OC4)cnn2c1 ZINC000067868693 222165837 /nfs/dbraw/zinc/16/58/37/222165837.db2.gz XQPARKXZBCONBK-UHFFFAOYSA-N 0 3 379.420 2.494 50 0 GEAAHN O=C(CN1CCC[C@H](O)C1)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1 ZINC000067955737 222169480 /nfs/dbraw/zinc/16/94/80/222169480.db2.gz DZWOHJPVXHWQDJ-SFHVURJKSA-N 0 3 386.471 2.379 50 0 GEAAHN CCc1ccc(-c2cc(C(=O)N3CCC4(CC3)CN(C)CCN4C)[nH]n2)cc1 ZINC000067954578 222169647 /nfs/dbraw/zinc/16/96/47/222169647.db2.gz PINFRCMDDSWNJX-UHFFFAOYSA-N 0 3 381.524 2.491 50 0 GEAAHN CC(C)[C@@H](CNC(=O)COc1ccc(C(N)=O)cc1)N1CCc2ccccc2C1 ZINC000068176545 222171712 /nfs/dbraw/zinc/17/17/12/222171712.db2.gz GHNIWUJRUNTGCZ-OAQYLSRUSA-N 0 3 395.503 2.363 50 0 GEAAHN CC(C)[C@H]1CN(CC(=O)N2CCOCC2)CCCN1Cc1ccc(F)cc1 ZINC000071754547 222190949 /nfs/dbraw/zinc/19/09/49/222190949.db2.gz WDOJOVWOTXFPSJ-HXUWFJFHSA-N 0 3 377.504 2.217 50 0 GEAAHN O=C(c1ccccc1[O-])N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071314971 222180506 /nfs/dbraw/zinc/18/05/06/222180506.db2.gz CXKLZAJTVOBYQS-QGZVFWFLSA-N 0 3 385.508 2.331 50 0 GEAAHN O=C(c1ccccc1[O-])N1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071314971 222180510 /nfs/dbraw/zinc/18/05/10/222180510.db2.gz CXKLZAJTVOBYQS-QGZVFWFLSA-N 0 3 385.508 2.331 50 0 GEAAHN CC(C)[C@H]1CN(C(=O)c2ccc(=O)n(C)n2)CCCN1Cc1ccc(F)cc1 ZINC000071746245 222186840 /nfs/dbraw/zinc/18/68/40/222186840.db2.gz WJCGZRSFQYLMOO-LJQANCHMSA-N 0 3 386.471 2.292 50 0 GEAAHN CCOC(=O)N1CCC(Nc2nc(-c3ccccn3)nc3c2CCNC3)CC1 ZINC000072121549 222206710 /nfs/dbraw/zinc/20/67/10/222206710.db2.gz IINTZUQMKWJKEJ-UHFFFAOYSA-N 0 3 382.468 2.217 50 0 GEAAHN Cn1ccc(NC(=O)CN2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072133761 222210653 /nfs/dbraw/zinc/21/06/53/222210653.db2.gz LRPGQTIFQSNFTQ-IOMROCGXSA-N 0 3 383.471 2.060 50 0 GEAAHN O=C(c1ccco1)N1CCN(Cc2cc3n(n2)CCCN(CC2CC2)C3)CC1 ZINC000072134530 222211292 /nfs/dbraw/zinc/21/12/92/222211292.db2.gz VWRYBIBWYLHBIS-UHFFFAOYSA-N 0 3 383.496 2.050 50 0 GEAAHN Cc1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c(=O)n1C ZINC000072156216 222212001 /nfs/dbraw/zinc/21/20/01/222212001.db2.gz QFMMPZUUVZVZAS-NJDAHSKKSA-N 0 3 377.488 2.396 50 0 GEAAHN O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@H](N2CCC(CO)CC2)C1 ZINC000072162655 222215220 /nfs/dbraw/zinc/21/52/20/222215220.db2.gz VKCKGXJSVQCKAC-INIZCTEOSA-N 0 3 376.888 2.297 50 0 GEAAHN O=C(c1cn(Cc2cccc(C(F)(F)F)c2)nn1)N1[C@@H]2CC[C@H]1CNCC2 ZINC000072167954 222215613 /nfs/dbraw/zinc/21/56/13/222215613.db2.gz MVNNYESMMLSWAW-CABCVRRESA-N 0 3 379.386 2.312 50 0 GEAAHN CCN1CCCN(CC(=O)N(C)c2ccccc2C(=O)NCc2ccco2)CC1 ZINC000072274139 222218276 /nfs/dbraw/zinc/21/82/76/222218276.db2.gz GPQUDPAICFEDAH-UHFFFAOYSA-N 0 3 398.507 2.200 50 0 GEAAHN Cc1nnnn1-c1ccccc1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000072406349 222255016 /nfs/dbraw/zinc/25/50/16/222255016.db2.gz PRXLJSBAMSNBSR-UHFFFAOYSA-N 0 3 376.464 2.365 50 0 GEAAHN COc1cccc(OC)c1C(=O)N1CCC2(CC1)c1ccccc1[C@@H](N)[C@@H]2O ZINC000072411729 222258138 /nfs/dbraw/zinc/25/81/38/222258138.db2.gz XRUJJSACBYVJLI-UXHICEINSA-N 0 3 382.460 2.252 50 0 GEAAHN CCn1cc(CN2CCC3(CC(=O)N(C)C3)CC2)c2cc(C(=O)OC)ncc21 ZINC000072463378 222263605 /nfs/dbraw/zinc/26/36/05/222263605.db2.gz PZSITLJEHFCJOE-UHFFFAOYSA-N 0 3 384.480 2.287 50 0 GEAAHN CCN1CCN(C[C@H](O)COc2cccc(CN(C)Cc3ccoc3)c2)CC1 ZINC000095504854 222338191 /nfs/dbraw/zinc/33/81/91/222338191.db2.gz CUQNBHYKKKBYEM-NRFANRHFSA-N 0 3 387.524 2.289 50 0 GEAAHN CN(C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506660 222338950 /nfs/dbraw/zinc/33/89/50/222338950.db2.gz VHGARYLXQFOMRB-INIZCTEOSA-N 0 3 389.475 2.125 50 0 GEAAHN Cc1cn2cc(CNC(=O)c3ccc(CN4CCC[C@H]4C)[nH]c3=O)nc2s1 ZINC000077342542 222279149 /nfs/dbraw/zinc/27/91/49/222279149.db2.gz VQRPBJYVJZZFPI-GFCCVEGCSA-N 0 3 385.493 2.307 50 0 GEAAHN Cc1nc(CCn2cnc3sc4c(c3c2=O)CCNC4)nc2c1CCCC2 ZINC000077379384 222280010 /nfs/dbraw/zinc/28/00/10/222280010.db2.gz HSDMUYDOAUITFK-UHFFFAOYSA-N 0 3 381.505 2.324 50 0 GEAAHN COc1cccc(NC2CCN(C[C@H]3CCCN(S(C)(=O)=O)C3)CC2)c1 ZINC000079014804 222300836 /nfs/dbraw/zinc/30/08/36/222300836.db2.gz NGDRMNKQFIKARB-MRXNPFEDSA-N 0 3 381.542 2.243 50 0 GEAAHN O=C(NCc1cc2n(n1)CCCNC2)c1ccc(-c2noc(C3CC3)n2)cc1 ZINC000082139025 222311066 /nfs/dbraw/zinc/31/10/66/222311066.db2.gz UKUMIGMMQYIJLC-UHFFFAOYSA-N 0 3 378.436 2.234 50 0 GEAAHN COc1ccc([C@@H]2CN(C(=O)CCc3cnn(C)c3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095520351 222346082 /nfs/dbraw/zinc/34/60/82/222346082.db2.gz SCIGZTOVKKXFOW-MDNUFGMLSA-N 0 3 394.519 2.450 50 0 GEAAHN CN(C)CCNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)c(Cl)c1 ZINC000095519993 222347444 /nfs/dbraw/zinc/34/74/44/222347444.db2.gz MBUNYNYIMFBZEZ-UHFFFAOYSA-N 0 3 393.915 2.411 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000095523659 222347998 /nfs/dbraw/zinc/34/79/98/222347998.db2.gz VFIYMHRZTLWHLU-SFHVURJKSA-N 0 3 380.496 2.201 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000095523658 222348348 /nfs/dbraw/zinc/34/83/48/222348348.db2.gz VFIYMHRZTLWHLU-GOSISDBHSA-N 0 3 380.496 2.201 50 0 GEAAHN CSCCN1CCC(NC(=O)c2ccc(C)c(N3CCNC3=O)c2)CC1 ZINC000096149541 222389472 /nfs/dbraw/zinc/38/94/72/222389472.db2.gz FMWBVTLHOFYPBL-UHFFFAOYSA-N 0 3 376.526 2.082 50 0 GEAAHN O=C(NC[C@@H]1CCCO1)N1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000426662457 534578894 /nfs/dbraw/zinc/57/88/94/534578894.db2.gz RAHINZDYLPWRKO-NRFANRHFSA-N 0 3 386.540 2.157 50 0 GEAAHN Cc1nn(-c2cccc(C(=O)NC[C@@H]3C[C@H](F)CN3)c2)c(=O)c2ccccc12 ZINC000426415699 534802966 /nfs/dbraw/zinc/80/29/66/534802966.db2.gz XTLRKPQUTBBCIW-HOTGVXAUSA-N 0 3 380.423 2.124 50 0 GEAAHN CCOCCN1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000426698190 528740435 /nfs/dbraw/zinc/74/04/35/528740435.db2.gz HICYXSKTTGPUSC-NRFANRHFSA-N 0 3 388.556 2.262 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(c2ccc(Cn3ccnc3)cn2)C1 ZINC000095512664 535936197 /nfs/dbraw/zinc/93/61/97/535936197.db2.gz AWAMSSGWYVXBRG-IBGZPJMESA-N 0 3 379.512 2.469 50 0 GEAAHN CCc1nc2cc(N3CCC[C@H](C(=O)NCCN(C)C)C3)cnc2nc1CC ZINC000096387354 536157021 /nfs/dbraw/zinc/15/70/21/536157021.db2.gz OCTREMKDIRSSDR-HNNXBMFYSA-N 0 3 384.528 2.044 50 0 GEAAHN CC(C)=CCN1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211313 /nfs/dbraw/zinc/21/13/13/570211313.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 0 3 375.557 2.462 50 0 GEAAHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)N1CCCC1 ZINC000048128637 570219109 /nfs/dbraw/zinc/21/91/09/570219109.db2.gz NNGWWLZRYVICGF-OAHLLOKOSA-N 0 3 379.526 2.122 50 0 GEAAHN C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)C1 ZINC000048261785 570224700 /nfs/dbraw/zinc/22/47/00/570224700.db2.gz KLBDMJIQOXVSOO-HXUWFJFHSA-N 0 3 392.507 2.012 50 0 GEAAHN O=C1C[C@H](c2ccco2)[C@@H](n2cncn2)C(=O)[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000020405412 570254266 /nfs/dbraw/zinc/25/42/66/570254266.db2.gz IMMBZXHOHDEYNV-XWPNQZOQSA-N 0 3 376.416 2.241 50 0 GEAAHN CC(C)=CCN1CCN(Cc2ccc(OCCN(C)C)cc2)C[C@H]1CCO ZINC000104636218 570255809 /nfs/dbraw/zinc/25/58/09/570255809.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 0 3 375.557 2.462 50 0 GEAAHN COc1cc2c(cc1OC)[C@]13CCN4CC5=CCO[C@H]6CC(=O)N2[C@@H]1[C@H]6[C@H]5C[C@H]43 ZINC000257347728 570274189 /nfs/dbraw/zinc/27/41/89/570274189.db2.gz RRKTZKIUPZVBMF-JNVBEIOOSA-N 0 3 394.471 2.110 50 0 GEAAHN COc1ccc(-c2nc3n(n2)C(CC(=O)NCc2ccccc2)C(=O)N3)cc1 ZINC000020715045 570275530 /nfs/dbraw/zinc/27/55/30/570275530.db2.gz ZKDILBFHWXRWCH-INIZCTEOSA-N 0 3 377.404 2.153 50 0 GEAAHN COc1ccc(-c2nc3n(n2)C(CC(=O)NCc2ccccc2)C(=O)N3)cc1 ZINC000020715041 570275554 /nfs/dbraw/zinc/27/55/54/570275554.db2.gz ZKDILBFHWXRWCH-MRXNPFEDSA-N 0 3 377.404 2.153 50 0 GEAAHN O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(c2ncccn2)CC1 ZINC000021174458 570288998 /nfs/dbraw/zinc/28/89/98/570288998.db2.gz QEBWPYPBUJSDCG-UHFFFAOYSA-N 0 3 379.508 2.474 50 0 GEAAHN COc1ccc(CCNC(=O)CNC[C@H](c2ccccc2)N(C)C)cc1OC ZINC000022029702 570302781 /nfs/dbraw/zinc/30/27/81/570302781.db2.gz TXVNKRIEVBEUSF-LJQANCHMSA-N 0 3 385.508 2.255 50 0 GEAAHN CCNC(=O)N1C[C@H](C(=O)NCCN2CCCC2)C[C@@H](c2cccc(C)c2)C1 ZINC000034710508 570303087 /nfs/dbraw/zinc/30/30/87/570303087.db2.gz QKVUMRQDIITGAK-WOJBJXKFSA-N 0 3 386.540 2.342 50 0 GEAAHN COC(=O)C[C@@H]1N[C@H](c2ccccc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000247862125 570326517 /nfs/dbraw/zinc/32/65/17/570326517.db2.gz WKDOKAJMYXLYHS-MTFMMBMASA-N 0 3 378.428 2.064 50 0 GEAAHN COCCn1c2ccccc2nc1N1CCC(C(=O)NCCN2CCCC2)CC1 ZINC000034906731 570339466 /nfs/dbraw/zinc/33/94/66/570339466.db2.gz UTDCBICXGZDRCP-UHFFFAOYSA-N 0 3 399.539 2.111 50 0 GEAAHN CCN1CCN(c2ccc(NC(=O)CNC(=O)Cc3ccccc3)c(C)c2)CC1 ZINC000026909343 570429968 /nfs/dbraw/zinc/42/99/68/570429968.db2.gz MIUQONOYDHLCLV-UHFFFAOYSA-N 0 3 394.519 2.434 50 0 GEAAHN COc1cccc(CN(C)CCOc2ccc(S(=O)(=O)N(C)C)cc2)c1 ZINC000027347587 570433494 /nfs/dbraw/zinc/43/34/94/570433494.db2.gz OYFPJEZHPCWVJK-UHFFFAOYSA-N 0 3 378.494 2.456 50 0 GEAAHN O=C(NCCn1ncc2ccccc2c1=O)[C@@H]1CCCN(Cc2ccco2)C1 ZINC000223597564 570473695 /nfs/dbraw/zinc/47/36/95/570473695.db2.gz QKAOQEJATMRVMV-QGZVFWFLSA-N 0 3 380.448 2.018 50 0 GEAAHN CC[C@@H](C)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000006602008 570490929 /nfs/dbraw/zinc/49/09/29/570490929.db2.gz QMMJQCDHHIUDJC-CQSZACIVSA-N 0 3 383.514 2.196 50 0 GEAAHN COc1cccc(C(=O)N2CCN(c3cc(N4CCCC4)nc(C)n3)CC2)c1 ZINC000033318260 570524482 /nfs/dbraw/zinc/52/44/82/570524482.db2.gz HJPBGHCNWFKXHN-UHFFFAOYSA-N 0 3 381.480 2.356 50 0 GEAAHN COc1ccc(OC)c(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC000009874869 570562081 /nfs/dbraw/zinc/56/20/81/570562081.db2.gz RHQFCQBCLWIDLX-UHFFFAOYSA-N 0 3 390.484 2.042 50 0 GEAAHN Cc1c2c(nn1-c1ccccc1)c(NCCCN1CCN(C)CC1)nnc2C ZINC000036646280 570567661 /nfs/dbraw/zinc/56/76/61/570567661.db2.gz LDKHRGLGCZVRAX-UHFFFAOYSA-N 0 3 379.512 2.482 50 0 GEAAHN CC(=O)NC1CCN(C[C@H](CNC(=O)OC(C)(C)C)Cc2cccnc2)CC1 ZINC000225514073 570582222 /nfs/dbraw/zinc/58/22/22/570582222.db2.gz PLVAQMXKZZLHIY-SFHVURJKSA-N 0 3 390.528 2.366 50 0 GEAAHN O=C(Cn1c(=O)c2cccn2c2ccc(F)cc21)NCCN1CCCCCC1 ZINC000006782459 570589593 /nfs/dbraw/zinc/58/95/93/570589593.db2.gz MRPIPVWZEDTIKX-UHFFFAOYSA-N 0 3 384.455 2.386 50 0 GEAAHN Cc1ccc(COc2cccc(CNCCNC(=O)c3nonc3N)c2)cc1 ZINC000040744378 570613473 /nfs/dbraw/zinc/61/34/73/570613473.db2.gz RPOSBSPRWGDDGY-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN Cc1cccc(COc2cccc(CNCCNC(=O)c3nonc3N)c2)c1 ZINC000040744508 570613525 /nfs/dbraw/zinc/61/35/25/570613525.db2.gz UDIFCQZKJIJUSL-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN Cc1cccc(COc2ccc(CNCCNC(=O)c3nonc3N)cc2)c1 ZINC000040744451 570613632 /nfs/dbraw/zinc/61/36/32/570613632.db2.gz WWXPOHFHXYUGLV-UHFFFAOYSA-N 0 3 381.436 2.059 50 0 GEAAHN CN(CCNC(=O)CSc1nc2ccccc2n(C)c1=O)Cc1ccccc1 ZINC000033006630 570619561 /nfs/dbraw/zinc/61/95/61/570619561.db2.gz WSNSLXUXFRCJHB-UHFFFAOYSA-N 0 3 396.516 2.274 50 0 GEAAHN Cc1nccn1CCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1 ZINC000042496568 570620316 /nfs/dbraw/zinc/62/03/16/570620316.db2.gz JSHOPAOHVNQDQP-NRFANRHFSA-N 0 3 381.524 2.395 50 0 GEAAHN CCOC(=O)c1cn(CCN2CCC(O)CC2)cc(Oc2ccccc2)c1=O ZINC000055074398 570681942 /nfs/dbraw/zinc/68/19/42/570681942.db2.gz LJGCYTJRRBUFBO-UHFFFAOYSA-N 0 3 386.448 2.274 50 0 GEAAHN CCN(CCc1nc2ccc(F)cc2[nH]1)CC(=O)Nc1ccc(C(N)=O)cc1 ZINC000252495490 570728829 /nfs/dbraw/zinc/72/88/29/570728829.db2.gz OROWWJVOBFTAFE-UHFFFAOYSA-N 0 3 383.427 2.304 50 0 GEAAHN CCCN1CCN(C(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 ZINC000065256244 570754993 /nfs/dbraw/zinc/75/49/93/570754993.db2.gz BUUPRQQXMZGHAA-OAQYLSRUSA-N 0 3 393.535 2.400 50 0 GEAAHN O=C1C[C@H](c2ccco2)[C@H](n2cncn2)C(=O)[C@@H]1[C@H]1NCCc2ccccc21 ZINC000100888078 570779229 /nfs/dbraw/zinc/77/92/29/570779229.db2.gz IMMBZXHOHDEYNV-TTYHFUOFSA-N 0 3 376.416 2.241 50 0 GEAAHN CC(C)NS(=O)(=O)c1ccc(NC[C@@H](Cc2ccccc2)N(C)C)nc1 ZINC000032869512 570864849 /nfs/dbraw/zinc/86/48/49/570864849.db2.gz JTYSMKHDPJMAQQ-QGZVFWFLSA-N 0 3 376.526 2.353 50 0 GEAAHN O=C(CCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NC1CCN(Cc2ccccc2)CC1 ZINC000102997930 570873138 /nfs/dbraw/zinc/87/31/38/570873138.db2.gz BLSJLQRQSPIYCL-BGYRXZFFSA-N 0 3 397.519 2.333 50 0 GEAAHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000097095950 570891811 /nfs/dbraw/zinc/89/18/11/570891811.db2.gz WSTIPUMTYFOLAR-KRWDZBQOSA-N 0 3 387.528 2.070 50 0 GEAAHN NC(=O)[C@@H]1CCCN(CCNC(=O)Nc2cc(C(F)(F)F)ccc2F)C1 ZINC000299790903 570896447 /nfs/dbraw/zinc/89/64/47/570896447.db2.gz CWYBDNHQDFXPIC-SNVBAGLBSA-N 0 3 376.354 2.163 50 0 GEAAHN Cc1ccnc(-n2cc(S(=O)(=O)NCCCN3C[C@@H](C)C[C@H](C)C3)cn2)c1 ZINC000089701860 570909631 /nfs/dbraw/zinc/90/96/31/570909631.db2.gz GVVZPVROIHAAFS-IRXDYDNUSA-N 0 3 391.541 2.222 50 0 GEAAHN Cc1cc(NC(=O)c2cn([C@H]3CCOC3)nn2)ccc1OCCN1CCCC1 ZINC000252507287 570978263 /nfs/dbraw/zinc/97/82/63/570978263.db2.gz WFZKZYBZGNITAA-KRWDZBQOSA-N 0 3 385.468 2.275 50 0 GEAAHN CCN1CCN(C2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)CC1 ZINC000019369079 570980165 /nfs/dbraw/zinc/98/01/65/570980165.db2.gz BHOIMCSKXWRAQP-UHFFFAOYSA-N 0 3 377.529 2.314 50 0 GEAAHN CCN(CC)CC(=O)N1CCC(c2nnc(CN3CCCCCC3)n2C)CC1 ZINC000091587366 571016076 /nfs/dbraw/zinc/01/60/76/571016076.db2.gz YITSEJXRNFZZPB-UHFFFAOYSA-N 0 3 390.576 2.239 50 0 GEAAHN COc1cc(C)ccc1OCCN1CCN(C)[C@@]2(C1)CCC(=O)N(C)CC2 ZINC000091586944 571016101 /nfs/dbraw/zinc/01/61/01/571016101.db2.gz DCOGQJWSBGVDDY-NRFANRHFSA-N 0 3 375.513 2.011 50 0 GEAAHN O=C(NC[C@H](c1ccco1)N1CCCC1)c1cnc(-c2ccncc2)nc1O ZINC000091621484 571019199 /nfs/dbraw/zinc/01/91/99/571019199.db2.gz BXJKVDUSDHOUFF-MRXNPFEDSA-N 0 3 379.420 2.404 50 0 GEAAHN COc1cc(CN2CCN(C3CCSCC3)C[C@@H]2CCO)cc(OC)c1 ZINC000019633167 571022263 /nfs/dbraw/zinc/02/22/63/571022263.db2.gz OKVBAJSSYAGZBT-SFHVURJKSA-N 0 3 380.554 2.468 50 0 GEAAHN CN1CCN(CC2=Cc3cc(Cl)ccc3OC2)C[C@]12CCNC(=O)CC2 ZINC000091779229 571030296 /nfs/dbraw/zinc/03/02/96/571030296.db2.gz VXJDFGABAAANET-FQEVSTJZSA-N 0 3 375.900 2.402 50 0 GEAAHN CC(=O)N1CCc2[nH]cnc2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000091997664 571039554 /nfs/dbraw/zinc/03/95/54/571039554.db2.gz HAIQZIZFMLFXJA-UHFFFAOYSA-N 0 3 380.452 2.289 50 0 GEAAHN CC(=O)N1CCc2nc[nH]c2C12CCN(Cc1ccc(-c3cc[nH]n3)o1)CC2 ZINC000091997664 571039560 /nfs/dbraw/zinc/03/95/60/571039560.db2.gz HAIQZIZFMLFXJA-UHFFFAOYSA-N 0 3 380.452 2.289 50 0 GEAAHN COc1ccc(CN2C[C@H]3CC[C@H](CN3Cc3cn(CCO)nc3C)C2)cc1 ZINC000095352661 571050650 /nfs/dbraw/zinc/05/06/50/571050650.db2.gz JTJUFVGQRNEDGD-PZJWPPBQSA-N 0 3 384.524 2.289 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc(N(C)C)cc2)C1 ZINC000095356604 571052488 /nfs/dbraw/zinc/05/24/88/571052488.db2.gz AVRUMEJBKJUMCA-IBGZPJMESA-N 0 3 383.540 2.459 50 0 GEAAHN CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2cccc3nccnc32)C1 ZINC000095358257 571053235 /nfs/dbraw/zinc/05/32/35/571053235.db2.gz IJAKIIKILIKVBW-MRXNPFEDSA-N 0 3 378.480 2.408 50 0 GEAAHN COc1ccc(OC)c(CN2CCN(C(=O)[C@H]3CCCCCN3C)CC2)c1 ZINC000095358506 571053642 /nfs/dbraw/zinc/05/36/42/571053642.db2.gz SORKYMKWYZUJNC-LJQANCHMSA-N 0 3 375.513 2.222 50 0 GEAAHN COc1ccc(OC)c(CN2CCN(C(=O)[C@@H]3CCCCCN3C)CC2)c1 ZINC000095358507 571053714 /nfs/dbraw/zinc/05/37/14/571053714.db2.gz SORKYMKWYZUJNC-IBGZPJMESA-N 0 3 375.513 2.222 50 0 GEAAHN Cc1cccc(CS(=O)(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)c1 ZINC000095361275 571055592 /nfs/dbraw/zinc/05/55/92/571055592.db2.gz QPUOUUXVSBHFNU-LJQANCHMSA-N 0 3 390.553 2.463 50 0 GEAAHN Cc1nn(C)c(C(=O)N2CCC[C@H](c3nccn3CCN(C)C)C2)c1Cl ZINC000095364524 571057317 /nfs/dbraw/zinc/05/73/17/571057317.db2.gz SANBUWHGGAOSEX-AWEZNQCLSA-N 0 3 378.908 2.160 50 0 GEAAHN Cc1ccn(CCC(=O)N2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095364504 571057488 /nfs/dbraw/zinc/05/74/88/571057488.db2.gz NYVPOARECHQFJP-KSEOMHKRSA-N 0 3 380.492 2.376 50 0 GEAAHN COc1cccc([C@@H]2CN(C(=O)c3cccc(=O)[nH]3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000095372176 571061995 /nfs/dbraw/zinc/06/19/95/571061995.db2.gz BRJBEQGKHMSGCH-IOMROCGXSA-N 0 3 379.460 2.086 50 0 GEAAHN CN(C)CCn1ccnc1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1 ZINC000095377346 571065246 /nfs/dbraw/zinc/06/52/46/571065246.db2.gz UVTQIFSDDJFKCC-KRWDZBQOSA-N 0 3 384.480 2.122 50 0 GEAAHN Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCc3cccc(F)c3)C2)cn1 ZINC000095388064 571071061 /nfs/dbraw/zinc/07/10/61/571071061.db2.gz VZXHOZBDRQFYOZ-SJORKVTESA-N 0 3 384.455 2.052 50 0 GEAAHN Cc1c(Cl)c(C(=O)N2CCC[C@@H](c3nccn3CCN(C)C)C2)nn1C ZINC000095390287 571071929 /nfs/dbraw/zinc/07/19/29/571071929.db2.gz GBNYIDGNCHKAQW-CQSZACIVSA-N 0 3 378.908 2.160 50 0 GEAAHN COc1ccsc1S(=O)(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000192939567 645232714 /nfs/dbraw/zinc/23/27/14/645232714.db2.gz CKNWBLFZWNEGLW-OAHLLOKOSA-N 0 3 381.523 2.294 50 0 GEAAHN