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CCCn1cc(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)cn1 ZINC000185686141 432524305 /nfs/dbraw/zinc/52/43/05/432524305.db2.gz KKUSOPJXRXVNQG-YJBOKZPZSA-N 0 3 300.450 3.074 10 0 DGAEHN CC(C)CN(CC(=O)N1CCC[C@@H](C(F)(F)F)C1)C(C)C ZINC000194173473 432529654 /nfs/dbraw/zinc/52/96/54/432529654.db2.gz DHTPOLDCHBXUDB-CYBMUJFWSA-N 0 3 308.388 3.154 10 0 DGAEHN CCc1nc2n(n1)C[C@H](N[C@H](CC)c1ccc(F)cc1F)CC2 ZINC000154939553 432529828 /nfs/dbraw/zinc/52/98/28/432529828.db2.gz YIKGROOMVZEJLG-IUODEOHRSA-N 0 3 320.387 3.174 10 0 DGAEHN CCN1CCC[C@H](NC(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000194631867 432564686 /nfs/dbraw/zinc/56/46/86/432564686.db2.gz HWDMDAQIGUXTRZ-NSHDSACASA-N 0 3 315.244 3.136 10 0 DGAEHN NC1(C(=O)Nc2cccc(C(F)F)c2)Cc2ccccc2C1 ZINC000155063671 432537566 /nfs/dbraw/zinc/53/75/66/432537566.db2.gz ZRNCYDBNSYHMBB-UHFFFAOYSA-N 0 3 302.324 3.059 10 0 DGAEHN C[C@H]1C[C@H](N(C)C(=O)Nc2ccc3cc[nH]c3c2)CCN1C ZINC000194351081 432543270 /nfs/dbraw/zinc/54/32/70/432543270.db2.gz IKGXLXZEKXIJLF-SWLSCSKDSA-N 0 3 300.406 3.114 10 0 DGAEHN CCN1CCC[C@H](NC(=O)Nc2ccccc2OC(C)C)C1 ZINC000194341710 432543639 /nfs/dbraw/zinc/54/36/39/432543639.db2.gz MIMOUNFMORRZRI-AWEZNQCLSA-N 0 3 305.422 3.080 10 0 DGAEHN CCCCOC[C@H](O)CN1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000195180678 432610358 /nfs/dbraw/zinc/61/03/58/432610358.db2.gz RDWOOGHGHOAIDZ-BMGDILEWSA-N 0 3 309.425 3.386 10 0 DGAEHN COc1cccc([C@H](C)N[C@H]2CCc3nc(C(C)C)nn3C2)c1 ZINC000177312603 432611138 /nfs/dbraw/zinc/61/11/38/432611138.db2.gz QHURESQFFXQNNN-ZFWWWQNUSA-N 0 3 314.433 3.076 10 0 DGAEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCc1cccc(Cl)c1 ZINC000177310482 432611335 /nfs/dbraw/zinc/61/13/35/432611335.db2.gz FNCGHOUJWUGVQA-MRXNPFEDSA-N 0 3 323.868 3.008 10 0 DGAEHN CCCCOC[C@@H](O)CN(C)Cc1ccc(Cl)c(F)c1 ZINC000195206313 432611917 /nfs/dbraw/zinc/61/19/17/432611917.db2.gz NBHGJWOBHLEYEE-ZDUSSCGKSA-N 0 3 303.805 3.089 10 0 DGAEHN C[C@@H](c1ccccn1)N1CCC(c2nnc3ccccn32)CC1 ZINC000176990658 432572498 /nfs/dbraw/zinc/57/24/98/432572498.db2.gz 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/nfs/dbraw/zinc/62/47/07/432624707.db2.gz FWRFQLXUEXMPSH-ZTMPEJBFSA-N 0 3 316.445 3.040 10 0 DGAEHN c1ccc(COc2ccc(-c3n[nH]c4c3CNCC4)cc2)cc1 ZINC000211841763 432640620 /nfs/dbraw/zinc/64/06/20/432640620.db2.gz KHXSAEGJTBVWFO-UHFFFAOYSA-N 0 3 305.381 3.301 10 0 DGAEHN COc1cccc([C@@H](C)CC(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000177618893 432643849 /nfs/dbraw/zinc/64/38/49/432643849.db2.gz FNAVYIXLKAOOJJ-RDJZCZTQSA-N 0 3 320.477 3.281 10 0 DGAEHN CCn1c2ccccc2nc1[C@H]1CCCN1C[C@@H](C)COC ZINC000187100043 432647234 /nfs/dbraw/zinc/64/72/34/432647234.db2.gz GZADMHWSIYAFGV-RHSMWYFYSA-N 0 3 301.434 3.476 10 0 DGAEHN Cc1nc2ccc(NC(=O)[C@H]3NCCCC3(C)C)cc2s1 ZINC000236004760 282069303 /nfs/dbraw/zinc/06/93/03/282069303.db2.gz OEKAOLXUUDDHGV-CQSZACIVSA-N 0 3 303.431 3.321 10 0 DGAEHN Cc1nc(C[C@H]2CCCN([C@@H]3CCc4ccc(F)cc43)C2)no1 ZINC000177698792 432651979 /nfs/dbraw/zinc/65/19/79/432651979.db2.gz VMWCKJRJMNQQRN-CXAGYDPISA-N 0 3 315.392 3.459 10 0 DGAEHN C[C@H](C(=O)N1Cc2ccccc2C2(CC2)C1)N1CCCCCC1 ZINC000187295015 432656173 /nfs/dbraw/zinc/65/61/73/432656173.db2.gz DDSFEJULJCCJMC-MRXNPFEDSA-N 0 3 312.457 3.325 10 0 DGAEHN Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CN(C(C)C)C[C@@H]2C)s1 ZINC000158835179 432660082 /nfs/dbraw/zinc/66/00/82/432660082.db2.gz RAMLLNFYTXSBGV-SWLSCSKDSA-N 0 3 323.506 3.109 10 0 DGAEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)C2(c3cccc(Cl)c3)CC2)C1 ZINC000158998595 432666101 /nfs/dbraw/zinc/66/61/01/432666101.db2.gz IGLMHYSTZHSXLV-CJNGLKHVSA-N 0 3 320.864 3.217 10 0 DGAEHN CCC(CC)NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000159033141 432667162 /nfs/dbraw/zinc/66/71/62/432667162.db2.gz XJYMMVSQDRBXKG-GOSISDBHSA-N 0 3 317.477 3.481 10 0 DGAEHN COc1cc(OC)c([C@@H](C)NCC2(CCO)CC2)cc1Cl ZINC000188072725 432702754 /nfs/dbraw/zinc/70/27/54/432702754.db2.gz LOKNRKXZRBCHJM-LLVKDONJSA-N 0 3 313.825 3.170 10 0 DGAEHN CCCOc1cc(CN2CC[C@H](C)[C@H](OC)C2)ccc1OC ZINC000188331637 432718333 /nfs/dbraw/zinc/71/83/33/432718333.db2.gz XAKDHURTGXBVOL-KBXCAEBGSA-N 0 3 307.434 3.341 10 0 DGAEHN CCC[C@H](NCc1cccnc1-n1cncn1)c1ccccc1 ZINC000178047816 432687990 /nfs/dbraw/zinc/68/79/90/432687990.db2.gz DKJLPPCYQLXJPJ-KRWDZBQOSA-N 0 3 307.401 3.293 10 0 DGAEHN CCN1CCC[C@H](NC(=O)c2c(C)[nH]c3ccc(Cl)cc32)C1 ZINC000178535679 432751224 /nfs/dbraw/zinc/75/12/24/432751224.db2.gz LJGOFGLTKCYIGT-ZDUSSCGKSA-N 0 3 319.836 3.344 10 0 DGAEHN CC(C)C[C@H](N)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000236656046 432754465 /nfs/dbraw/zinc/75/44/65/432754465.db2.gz ZCDANNUPJQVEQE-KGLIPLIRSA-N 0 3 323.506 3.346 10 0 DGAEHN CN(Cc1ccc(-c2c(F)cccc2F)o1)CC1(CO)CC1 ZINC000188952999 432756116 /nfs/dbraw/zinc/75/61/16/432756116.db2.gz GBAVAGBUPNGQPS-UHFFFAOYSA-N 0 3 307.340 3.429 10 0 DGAEHN CO[C@H]1CN(Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1C ZINC000189312932 432777365 /nfs/dbraw/zinc/77/73/65/432777365.db2.gz UNIRKHWJTBOWTD-WFASDCNBSA-N 0 3 317.351 3.485 10 0 DGAEHN Cc1cccc(CN(CCN(C)C)c2ccnc(C3CC3)n2)c1 ZINC000162210781 432816249 /nfs/dbraw/zinc/81/62/49/432816249.db2.gz WTZBROXZUXSBSA-UHFFFAOYSA-N 0 3 310.445 3.231 10 0 DGAEHN CCC[C@H](C(=O)N1CCC(Nc2cccc(C)c2)CC1)N(C)C ZINC000162266359 432818846 /nfs/dbraw/zinc/81/88/46/432818846.db2.gz UOTOVEGSBWNVOW-GOSISDBHSA-N 0 3 317.477 3.128 10 0 DGAEHN CCC[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1)N(C)C ZINC000162302916 432820720 /nfs/dbraw/zinc/82/07/20/432820720.db2.gz ZHTSUMYUUFCHHE-BPQIPLTHSA-N 0 3 302.462 3.369 10 0 DGAEHN C[C@@]1(CNC(=O)CC2CCC2)CCCN1Cc1ccccc1 ZINC000162371776 432821582 /nfs/dbraw/zinc/82/15/82/432821582.db2.gz OFHXQURRMRCGCG-IBGZPJMESA-N 0 3 300.446 3.348 10 0 DGAEHN Cc1cnc([C@H](C)NCCN(C)Cc2ccc(F)cc2)s1 ZINC000162397689 432822208 /nfs/dbraw/zinc/82/22/08/432822208.db2.gz DJNGVKCBZIKYJS-ZDUSSCGKSA-N 0 3 307.438 3.373 10 0 DGAEHN C[C@H](NCC1(O)CCOCC1)c1cc(F)c(Cl)cc1Cl ZINC000162601629 432828723 /nfs/dbraw/zinc/82/87/23/432828723.db2.gz XFXWGAYSEJRIAD-VIFPVBQESA-N 0 3 322.207 3.325 10 0 DGAEHN CN(C)C(=O)C1CCN(Cc2ccc(C(C)(C)C)s2)CC1 ZINC000162612364 432828914 /nfs/dbraw/zinc/82/89/14/432828914.db2.gz FJTVUKRTWTZKRW-UHFFFAOYSA-N 0 3 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316.449 3.068 10 0 DGAEHN CCN1CCc2c(cccc2Nc2cc(C)nc(COC)n2)C1 ZINC000301711204 433690605 /nfs/dbraw/zinc/69/06/05/433690605.db2.gz VCYVJWUFLXHREF-UHFFFAOYSA-N 0 3 312.417 3.053 10 0 DGAEHN C[C@@H](O)CN1CCC[C@H](Cc2nc(C3CCCCCC3)no2)C1 ZINC000367196757 293036411 /nfs/dbraw/zinc/03/64/11/293036411.db2.gz UCHPGALEHBPEIQ-HUUCEWRRSA-N 0 3 321.465 3.143 10 0 DGAEHN c1cn(-c2cc(CNCc3ccc4occc4c3)ccn2)cn1 ZINC000367523424 293083547 /nfs/dbraw/zinc/08/35/47/293083547.db2.gz OTUOMFXOCAZUDX-UHFFFAOYSA-N 0 3 304.353 3.303 10 0 DGAEHN Cc1nn(C)cc1[C@@H]1CCCN1CCOc1ccc(F)cc1 ZINC000370415091 293172933 /nfs/dbraw/zinc/17/29/33/293172933.db2.gz MRRBRXHPBPVOQJ-KRWDZBQOSA-N 0 3 303.381 3.084 10 0 DGAEHN c1ccc2c(c1)C=C(CN1CC[C@@H](Cc3ccncc3)C1)CO2 ZINC000371681602 293223880 /nfs/dbraw/zinc/22/38/80/293223880.db2.gz RVIBRLNLRLHZSY-KRWDZBQOSA-N 0 3 306.409 3.422 10 0 DGAEHN CS(=O)(=O)c1cccc(CNCCc2cccc(Cl)c2)c1 ZINC000449057249 433716616 /nfs/dbraw/zinc/71/66/16/433716616.db2.gz BKOTXFOVTWLCCH-UHFFFAOYSA-N 0 3 323.845 3.076 10 0 DGAEHN Clc1ccc(CN2CCCC23CCC3)c(-n2cncn2)c1 ZINC000376449247 433739490 /nfs/dbraw/zinc/73/94/90/433739490.db2.gz PUPWZNUUNJBTHM-UHFFFAOYSA-N 0 3 302.809 3.439 10 0 DGAEHN CCC[C@H](NC[C@H]1CCC2(CCOCC2)[C@@H]1O)c1ccccn1 ZINC000374751836 293443483 /nfs/dbraw/zinc/44/34/83/293443483.db2.gz OFVFHOFAKDOSRZ-SOLBZPMBSA-N 0 3 318.461 3.080 10 0 DGAEHN OC[C@H]1C=C[C@@H](N[C@@H]2CCCOc3cc4c(cc32)CCCC4)C1 ZINC000376501650 433758494 /nfs/dbraw/zinc/75/84/94/433758494.db2.gz QYMHCZARUNDZPO-POZUXBRTSA-N 0 3 313.441 3.306 10 0 DGAEHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1nc2ccccc2[nH]1 ZINC000301850564 433759244 /nfs/dbraw/zinc/75/92/44/433759244.db2.gz AXMUERYISBEYSC-GOEBONIOSA-N 0 3 321.428 3.280 10 0 DGAEHN C[C@H](c1ccccc1)N1CC[C@H](NCc2cnc(C3CC3)o2)C1 ZINC000449701463 433762477 /nfs/dbraw/zinc/76/24/77/433762477.db2.gz WNZVBFYUCAZCKU-PBHICJAKSA-N 0 3 311.429 3.477 10 0 DGAEHN c1cc(CCN2CCOC[C@@H]2CC2CCC2)cc2c1OCC2 ZINC000339769376 433772810 /nfs/dbraw/zinc/77/28/10/433772810.db2.gz 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434303062 /nfs/dbraw/zinc/30/30/62/434303062.db2.gz QWLLHZMVNNVMLQ-MRXNPFEDSA-N 0 3 303.402 3.339 10 0 DGAEHN c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)c2c(c1)OCCO2 ZINC000353663173 434316877 /nfs/dbraw/zinc/31/68/77/434316877.db2.gz CBUFDBFSTRTMGL-KRWDZBQOSA-N 0 3 317.429 3.381 10 0 DGAEHN Cc1nc(CNC(C2CC2)C2CC2)sc1Br ZINC000517217771 294661899 /nfs/dbraw/zinc/66/18/99/294661899.db2.gz FESWPJTWCWBYIR-UHFFFAOYSA-N 0 3 301.253 3.492 10 0 DGAEHN CC1=CCN(CCNCc2c(C3CC3)nc3sccn23)CC1 ZINC000358174695 434364185 /nfs/dbraw/zinc/36/41/85/434364185.db2.gz YPOFDGCXZASWTM-UHFFFAOYSA-N 0 3 316.474 3.015 10 0 DGAEHN CC(C)n1cncc1CNC[C@H](C)N(C)Cc1ccccc1 ZINC000390676216 434367318 /nfs/dbraw/zinc/36/73/18/434367318.db2.gz VLLYRKSKMQANCW-INIZCTEOSA-N 0 3 300.450 3.074 10 0 DGAEHN c1nc(CCN2CCC[C@]3(C2)OCc2ccccc23)cs1 ZINC000450754380 434388953 /nfs/dbraw/zinc/38/89/53/434388953.db2.gz HMTDQKPKVJNZHD-QGZVFWFLSA-N 0 3 300.427 3.207 10 0 DGAEHN CCN1CC[C@@H](NCc2ccc(Cl)c(Br)c2)C1 ZINC000389287454 434345791 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0 3 321.490 3.080 10 0 DGAEHN Cc1ccccc1OCCCN1CCC(c2ccnn2C)CC1 ZINC000195503921 165372084 /nfs/dbraw/zinc/37/20/84/165372084.db2.gz LIMNUKGZQNBZAX-UHFFFAOYSA-N 0 3 313.445 3.377 10 0 DGAEHN Clc1ccc(OCCN2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195506579 165372320 /nfs/dbraw/zinc/37/23/20/165372320.db2.gz NQBRYFXPALFRSE-UHFFFAOYSA-N 0 3 305.809 3.322 10 0 DGAEHN Cc1ccc2c(CN3CCC(c4cc[nH]n4)CC3)cc(=O)oc2c1 ZINC000195506555 165372431 /nfs/dbraw/zinc/37/24/31/165372431.db2.gz KILGYMWJNHNTND-UHFFFAOYSA-N 0 3 323.396 3.204 10 0 DGAEHN COc1cc(C)c(NC(=O)[C@H](N)CC2CCCCC2)cc1OC ZINC000261971147 165772716 /nfs/dbraw/zinc/77/27/16/165772716.db2.gz ZBHDBHPHGYUYMU-CQSZACIVSA-N 0 3 320.433 3.248 10 0 DGAEHN C[C@@H]1CN(C[C@H](O)COc2cccc3ccccc32)CCS1 ZINC000171695930 432161402 /nfs/dbraw/zinc/16/14/02/432161402.db2.gz HZDLHVVGOGTFJV-ZBFHGGJFSA-N 0 3 317.454 3.017 10 0 DGAEHN C[C@H](CCc1cccc(F)c1)C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000246757114 432163227 /nfs/dbraw/zinc/16/32/27/432163227.db2.gz HNLRQTGFEMQEMS-IIDMSEBBSA-N 0 3 320.452 3.336 10 0 DGAEHN CCOC(=O)[C@H](CC(C)C)N1CCC[C@H](n2ccnc2CC)C1 ZINC000182148126 432163621 /nfs/dbraw/zinc/16/36/21/432163621.db2.gz VVXPBPZVXLUPEY-HOTGVXAUSA-N 0 3 321.465 3.060 10 0 DGAEHN CN1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc3ccccc32)C1 ZINC000246773714 432165496 /nfs/dbraw/zinc/16/54/96/432165496.db2.gz QNDHNGBKYJNAQX-LPHOPBHVSA-N 0 3 308.425 3.396 10 0 DGAEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(Cl)ccc1Cl ZINC000246818048 432167648 /nfs/dbraw/zinc/16/76/48/432167648.db2.gz CIUDLVZUTKCCIR-PWSUYJOCSA-N 0 3 313.228 3.302 10 0 DGAEHN Cc1cc2[nH]c(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)cc2c(C)c1 ZINC000246832888 432169402 /nfs/dbraw/zinc/16/94/02/432169402.db2.gz CVIHCVZTJBZAIV-CABCVRRESA-N 0 3 311.429 3.093 10 0 DGAEHN Cc1nn(C)c(C)c1[C@H]1CCCN1CCC(=O)c1ccccc1 ZINC000182242321 432170636 /nfs/dbraw/zinc/17/06/36/432170636.db2.gz OZQBPNLLNOWKGB-QGZVFWFLSA-N 0 3 311.429 3.447 10 0 DGAEHN CCOc1ccc(NC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000246874756 432176920 /nfs/dbraw/zinc/17/69/20/432176920.db2.gz VEWQZUSZIBCLTK-JSGCOSHPSA-N 0 3 323.412 3.171 10 0 DGAEHN c1cnc(N2CCC[C@@H](Nc3ccnc4ccccc43)C2)nc1 ZINC000171851229 432178571 /nfs/dbraw/zinc/17/85/71/432178571.db2.gz CWTXALNGKVXAMP-CQSZACIVSA-N 0 3 305.385 3.106 10 0 DGAEHN c1cnc(N2CCC[C@H](Nc3ccnc4ccccc43)C2)nc1 ZINC000171851234 432179368 /nfs/dbraw/zinc/17/93/68/432179368.db2.gz CWTXALNGKVXAMP-AWEZNQCLSA-N 0 3 305.385 3.106 10 0 DGAEHN CCN1CCCC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190658643 432180320 /nfs/dbraw/zinc/18/03/20/432180320.db2.gz COSIFPHMNXUIIG-OLZOCXBDSA-N 0 3 320.399 3.298 10 0 DGAEHN CC[C@H](C)[C@@H](C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190583366 432172781 /nfs/dbraw/zinc/17/27/81/432172781.db2.gz YBNADUQRYYRUDP-LZLYRXPVSA-N 0 3 317.477 3.044 10 0 DGAEHN CC(C)C[C@@H](NC(=O)NC[C@@H]1CCCN1C)c1ccccc1 ZINC000139393812 432183619 /nfs/dbraw/zinc/18/36/19/432183619.db2.gz RTPNDMKEERIIJI-DLBZAZTESA-N 0 3 303.450 3.167 10 0 DGAEHN CS[C@@H]1CCCCN([C@@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000246964310 432184219 /nfs/dbraw/zinc/18/42/19/432184219.db2.gz VBYVGIZUACWLER-HLLBOEOZSA-N 0 3 320.502 3.470 10 0 DGAEHN CC(C)c1csc(NC(=O)N(C)C[C@H]2CCCN(C)C2)n1 ZINC000172046981 432193489 /nfs/dbraw/zinc/19/34/89/432193489.db2.gz TZTOFAQYHQPFIX-LBPRGKRZSA-N 0 3 310.467 3.072 10 0 DGAEHN CC(=O)CCN(Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000269669603 432195190 /nfs/dbraw/zinc/19/51/90/432195190.db2.gz ZVIXLYSPHCSSAS-MRXNPFEDSA-N 0 3 303.427 3.263 10 0 DGAEHN CCc1sc(C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)cc1C ZINC000247043594 432195583 /nfs/dbraw/zinc/19/55/83/432195583.db2.gz VQIYGNXCVNBKAJ-KGLIPLIRSA-N 0 3 306.475 3.318 10 0 DGAEHN Brc1csc(CN2CCCN(C3CC3)CC2)c1 ZINC000172097281 432196002 /nfs/dbraw/zinc/19/60/02/432196002.db2.gz UEUJFUXNUOLXRH-UHFFFAOYSA-N 0 3 315.280 3.181 10 0 DGAEHN C[C@H](N[C@H]1CCCCNC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000247040225 432196556 /nfs/dbraw/zinc/19/65/56/432196556.db2.gz MSGVDRANHSJZQY-OBJOEFQTSA-N 0 3 317.458 3.047 10 0 DGAEHN CN1CCC[C@H]1CNCc1cc(Br)c(Cl)s1 ZINC000190874638 432197774 /nfs/dbraw/zinc/19/77/74/432197774.db2.gz DWIKBFCPCKCCES-QMMMGPOBSA-N 0 3 323.687 3.348 10 0 DGAEHN COc1ccccc1[C@@H](O)CN[C@@H]1CCCOc2ccccc21 ZINC000130551223 196089694 /nfs/dbraw/zinc/08/96/94/196089694.db2.gz TUHBDESQJDZIJS-SJORKVTESA-N 0 3 313.397 3.232 10 0 DGAEHN COc1ccccc1[C@@H](O)CN[C@H]1CCCOc2ccccc21 ZINC000130551621 196089885 /nfs/dbraw/zinc/08/98/85/196089885.db2.gz TUHBDESQJDZIJS-IRXDYDNUSA-N 0 3 313.397 3.232 10 0 DGAEHN C[C@@H](c1ccccc1F)N1CCCC[C@H]1CN1CCOCC1 ZINC000247186538 432208454 /nfs/dbraw/zinc/20/84/54/432208454.db2.gz BOFWRFVLTFVQRN-HOTGVXAUSA-N 0 3 306.425 3.073 10 0 DGAEHN CCCOc1cccc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000247186582 432208943 /nfs/dbraw/zinc/20/89/43/432208943.db2.gz BHELHYRKCFIHNQ-HOCLYGCPSA-N 0 3 304.434 3.030 10 0 DGAEHN C[C@@H](CCNC(=O)N1CC[C@H](N2CC=CC2)C1)CC(C)(C)C ZINC000190982909 432209593 /nfs/dbraw/zinc/20/95/93/432209593.db2.gz AODGAGVZCPJNKR-HOTGVXAUSA-N 0 3 307.482 3.105 10 0 DGAEHN CC(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1 ZINC000247249387 432215438 /nfs/dbraw/zinc/21/54/38/432215438.db2.gz YSXQVTDSBDKWEZ-RLFYNMQTSA-N 0 3 318.461 3.144 10 0 DGAEHN CCN(CC)C(=O)C[C@H](C)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000247125129 432203978 /nfs/dbraw/zinc/20/39/78/432203978.db2.gz UZGPLASIQHTVBD-WDYCEAGBSA-N 0 3 318.461 3.143 10 0 DGAEHN Cc1cccc(CSCC(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000247356562 432224683 /nfs/dbraw/zinc/22/46/83/432224683.db2.gz JYHHFXMIWIWZIG-RDJZCZTQSA-N 0 3 320.502 3.169 10 0 DGAEHN Cc1nn(C)c(C)c1CCN[C@@H](C)c1cnn(C(C)C)c1C ZINC000191146243 432226637 /nfs/dbraw/zinc/22/66/37/432226637.db2.gz KXXVPKKOVJJJLI-LBPRGKRZSA-N 0 3 303.454 3.016 10 0 DGAEHN Cc1noc(C)c1CNCCN1CCc2c(Cl)cccc2C1 ZINC000191107816 432222142 /nfs/dbraw/zinc/22/21/42/432222142.db2.gz QFWQTUMVDOTNAZ-UHFFFAOYSA-N 0 3 319.836 3.093 10 0 DGAEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000247335357 432223460 /nfs/dbraw/zinc/22/34/60/432223460.db2.gz NETVQZCDGVGCHL-XJKSGUPXSA-N 0 3 323.868 3.210 10 0 DGAEHN CC(C)[C@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1 ZINC000247333352 432223555 /nfs/dbraw/zinc/22/35/55/432223555.db2.gz NCCGQWHAJWSFAS-SZMVWBNQSA-N 0 3 302.462 3.271 10 0 DGAEHN c1cn(CCN2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000131949376 196213002 /nfs/dbraw/zinc/21/30/02/196213002.db2.gz CGGUFTBMBNGWCF-QGZVFWFLSA-N 0 3 321.428 3.153 10 0 DGAEHN CN1C[C@@H](N[C@@H](c2ccccc2)c2ccc(F)cc2)CCC1=O ZINC000133024527 196306369 /nfs/dbraw/zinc/30/63/69/196306369.db2.gz SXONPVKFGZFQDZ-HKUYNNGSSA-N 0 3 312.388 3.126 10 0 DGAEHN C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(Cl)c2F)CCN1C ZINC000174572536 228291884 /nfs/dbraw/zinc/29/18/84/228291884.db2.gz VQMDTYREKLAKRT-WDEREUQCSA-N 0 3 313.804 3.426 10 0 DGAEHN CCc1noc(C)c1CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000299744747 229383606 /nfs/dbraw/zinc/38/36/06/229383606.db2.gz PPTKHLCNEJXBFL-CQSZACIVSA-N 0 3 314.433 3.068 10 0 DGAEHN CC[C@H](C)NC(=O)CCN[C@@H]1CCCOc2ccc(C)cc21 ZINC000178716191 287599953 /nfs/dbraw/zinc/59/99/53/287599953.db2.gz UTAXDOSXGZAGKZ-GOEBONIOSA-N 0 3 304.434 3.103 10 0 DGAEHN Cc1cccc(OCCCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000247427977 432228638 /nfs/dbraw/zinc/22/86/38/432228638.db2.gz OKZFDGLBAAQBEI-DLBZAZTESA-N 0 3 318.461 3.095 10 0 DGAEHN C[C@@](O)(CNCc1cc(-c2ccccc2)n[nH]1)C1CCCCC1 ZINC000191668850 263760700 /nfs/dbraw/zinc/76/07/00/263760700.db2.gz VFWFOZKNPBMVKO-LJQANCHMSA-N 0 3 313.445 3.498 10 0 DGAEHN Clc1ccc(CNCCCc2ccc3c(c2)CCO3)nc1 ZINC000193308145 263792071 /nfs/dbraw/zinc/79/20/71/263792071.db2.gz ZCOMINMZNYMDKQ-UHFFFAOYSA-N 0 3 302.805 3.392 10 0 DGAEHN c1ccc(CN2CCC(CN3CCc4ccccc43)CC2)nc1 ZINC000352660272 265120655 /nfs/dbraw/zinc/12/06/55/265120655.db2.gz RJGPOQPYOORXPJ-UHFFFAOYSA-N 0 3 307.441 3.356 10 0 DGAEHN CC(C)[C@@](C)(CO)NCc1ccc(Br)cc1F ZINC000352915815 265228203 /nfs/dbraw/zinc/22/82/03/265228203.db2.gz QOLCOJVCNHONOB-CYBMUJFWSA-N 0 3 304.203 3.085 10 0 DGAEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N(C)Cc2ccc(Cl)cc2)C1 ZINC000247468178 432231699 /nfs/dbraw/zinc/23/16/99/432231699.db2.gz UZRJAIUGQCGYGF-CZUORRHYSA-N 0 3 323.868 3.210 10 0 DGAEHN Cc1c([C@@H](C)NC[C@@H](O)c2ccccc2F)cnn1C(C)(C)C ZINC000191196032 432232683 /nfs/dbraw/zinc/23/26/83/432232683.db2.gz UXTQAOMXHINMCR-SJKOYZFVSA-N 0 3 319.424 3.470 10 0 DGAEHN Cc1ccc(C)c([C@@H]2CN(CC3CCOCC3)[C@@H](C)CO2)c1 ZINC000247484956 432233380 /nfs/dbraw/zinc/23/33/80/432233380.db2.gz KLUPGRDMKVEBNY-LPHOPBHVSA-N 0 3 303.446 3.492 10 0 DGAEHN C[C@@H]1CCc2sc(C(=O)N(C)[C@@H]3CCN(C)[C@@H](C)C3)cc2C1 ZINC000247473242 432233634 /nfs/dbraw/zinc/23/36/34/432233634.db2.gz SBXOMPYJSCPTBM-VNHYZAJKSA-N 0 3 320.502 3.428 10 0 DGAEHN CC(C)(C)[C@@H](NC(=O)N1CCN2CCC[C@H]2C1)c1cccs1 ZINC000247475810 432234097 /nfs/dbraw/zinc/23/40/97/432234097.db2.gz IFCBJMUZHAESJZ-ZFWWWQNUSA-N 0 3 321.490 3.325 10 0 DGAEHN CCc1oc(C(=O)N(CCN(C)C)c2ccccc2)cc1C ZINC000151298765 432236267 /nfs/dbraw/zinc/23/62/67/432236267.db2.gz DJGUCVVVFHNZBH-UHFFFAOYSA-N 0 3 300.402 3.359 10 0 DGAEHN C[C@@H](NCCNC(=O)c1ccccc1)c1csc(Cl)c1 ZINC000191231060 432236846 /nfs/dbraw/zinc/23/68/46/432236846.db2.gz DUNVJEUXYMVSCY-LLVKDONJSA-N 0 3 308.834 3.482 10 0 DGAEHN Cc1ccc(OCCC(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc1C ZINC000247538635 432239592 /nfs/dbraw/zinc/23/95/92/432239592.db2.gz XWHKCJZHJPYDOR-DLBZAZTESA-N 0 3 318.461 3.013 10 0 DGAEHN CC(C)Sc1ccc(C(=O)N2C[C@@H]3CCCN3C[C@H]2C)cc1 ZINC000247556387 432241617 /nfs/dbraw/zinc/24/16/17/432241617.db2.gz ZRRSXQBPCZITGP-ZBFHGGJFSA-N 0 3 318.486 3.496 10 0 DGAEHN C[C@H](N[C@@H](C)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000172870544 432242645 /nfs/dbraw/zinc/24/26/45/432242645.db2.gz AKLRROZKZUFGMW-KBPBESRZSA-N 0 3 314.454 3.372 10 0 DGAEHN CC(C)[C@H](C(=O)N1CCCN(C2CC2)CC1)c1ccccc1 ZINC000172921059 432245428 /nfs/dbraw/zinc/24/54/28/432245428.db2.gz KMNUQYHKUPUUPQ-SFHVURJKSA-N 0 3 300.446 3.123 10 0 DGAEHN c1[nH]nc2c1[C@H](NC[C@@H](c1ccccc1)N1CCCC1)CCC2 ZINC000367625867 271054626 /nfs/dbraw/zinc/05/46/26/271054626.db2.gz ZJAYCLVLAOIWMY-MJGOQNOKSA-N 0 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ZINC000128917933 196004177 /nfs/dbraw/zinc/00/41/77/196004177.db2.gz MVQUDXWZUDGYQI-IRXDYDNUSA-N 0 3 309.417 3.113 10 0 DGAEHN C[C@@H]1CC(O)C[C@@H](C)N1Cc1ccc(OCC(F)(F)F)cc1 ZINC000191261495 287230703 /nfs/dbraw/zinc/23/07/03/287230703.db2.gz PDUZMZKVRWCVGU-VXGBXAGGSA-N 0 3 317.351 3.361 10 0 DGAEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)c1cc2ccccc2nc1C ZINC000246642794 432151888 /nfs/dbraw/zinc/15/18/88/432151888.db2.gz VWSKPRYWQRBVPH-IRXDYDNUSA-N 0 3 323.440 3.242 10 0 DGAEHN C[C@H](NC[C@@H]1CN(C)CCO1)c1cc2cc(Cl)ccc2o1 ZINC000181928746 432151000 /nfs/dbraw/zinc/15/10/00/432151000.db2.gz RNDKHKCIJPUEPT-SMDDNHRTSA-N 0 3 308.809 3.067 10 0 DGAEHN CCCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000171679501 432160076 /nfs/dbraw/zinc/16/00/76/432160076.db2.gz XOADPXYFWPCLES-SFHVURJKSA-N 0 3 316.445 3.233 10 0 DGAEHN CC(C)[C@H](C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1)c1ccccc1 ZINC000246742342 432160491 /nfs/dbraw/zinc/16/04/91/432160491.db2.gz GGSFVECKBZQPQM-NJAFHUGGSA-N 0 3 302.462 3.367 10 0 DGAEHN Cc1cc(C)n(-c2ccc(CN3CCS[C@@H](C)C3)cc2)n1 ZINC000171691679 432162139 /nfs/dbraw/zinc/16/21/39/432162139.db2.gz QPBMVZNWCOWQPT-HNNXBMFYSA-N 0 3 301.459 3.426 10 0 DGAEHN Cc1cccc(NC[C@H]2CCN(CCOc3ccccc3)C2)n1 ZINC000171652699 432155643 /nfs/dbraw/zinc/15/56/43/432155643.db2.gz JIMFKVLJHQDJNA-QGZVFWFLSA-N 0 3 311.429 3.203 10 0 DGAEHN CCc1cc(C)c(C(=O)N[C@H](C)CN(C)Cc2ccccc2)o1 ZINC000182061888 432156032 /nfs/dbraw/zinc/15/60/32/432156032.db2.gz MPZCHFWHQUGOPU-OAHLLOKOSA-N 0 3 314.429 3.401 10 0 DGAEHN Cc1ccc([C@H](O)CN2CCC[C@@H](c3nccs3)C2)cc1 ZINC000246715310 432157138 /nfs/dbraw/zinc/15/71/38/432157138.db2.gz KVITUCCWURPSKU-HZPDHXFCSA-N 0 3 302.443 3.365 10 0 DGAEHN Cc1cc(F)ccc1C(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000136962277 432167177 /nfs/dbraw/zinc/16/71/77/432167177.db2.gz BWSURDOHYPMASM-KRWDZBQOSA-N 0 3 300.377 3.167 10 0 DGAEHN Cc1cc2[nH]c(C(=O)N3C[C@H]4CCCN4C[C@H]3C)cc2c(C)c1 ZINC000246832901 432170961 /nfs/dbraw/zinc/17/09/61/432170961.db2.gz CVIHCVZTJBZAIV-HUUCEWRRSA-N 0 3 311.429 3.093 10 0 DGAEHN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C[C@H](O)C1CCCCC1 ZINC000190625628 432177015 /nfs/dbraw/zinc/17/70/15/432177015.db2.gz HBOQUIIEMNHKJS-JVJLVOBOSA-N 0 3 323.502 3.358 10 0 DGAEHN C[C@H](NCC1(C)OCCCO1)c1cccc(OC(F)F)c1 ZINC000190649291 432179139 /nfs/dbraw/zinc/17/91/39/432179139.db2.gz KQPGBHARWGJZQT-NSHDSACASA-N 0 3 301.333 3.092 10 0 DGAEHN Cc1cc2cc(C(=O)N3C[C@@H]4CCCN4C[C@H]3C)oc2cc1C ZINC000246930512 432181625 /nfs/dbraw/zinc/18/16/25/432181625.db2.gz RGUKBTFYHRXNQK-ZBFHGGJFSA-N 0 3 312.413 3.358 10 0 DGAEHN CC[C@H](C)[C@H](C)C(=O)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190583400 432173073 /nfs/dbraw/zinc/17/30/73/432173073.db2.gz YBNADUQRYYRUDP-XYJFISCASA-N 0 3 317.477 3.044 10 0 DGAEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccc(C(F)(F)F)c1 ZINC000246956661 432184639 /nfs/dbraw/zinc/18/46/39/432184639.db2.gz DGVAIMVWOVIFHX-FZMZJTMJSA-N 0 3 312.335 3.014 10 0 DGAEHN C[C@H](NCCN1CCc2c(Cl)cccc2C1)c1cccnc1 ZINC000190740111 432185033 /nfs/dbraw/zinc/18/50/33/432185033.db2.gz 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Cc1cc2cc([C@@H](C)N[C@H]3CCC(=O)N(C)C3)oc2cc1C ZINC000152371231 432329626 /nfs/dbraw/zinc/32/96/26/432329626.db2.gz ZFRBXHGJOAUUHC-HIFRSBDPSA-N 0 3 300.402 3.321 10 0 DGAEHN C[C@H]1COCC[C@H]1NCc1cc(Cl)ccc1OC(F)F ZINC000192127826 432335597 /nfs/dbraw/zinc/33/55/97/432335597.db2.gz AMONHIGUOKOMBC-JOYOIKCWSA-N 0 3 305.752 3.456 10 0 DGAEHN CO[C@@H]1CN(Cc2ccc3c(c2)COC(C)(C)O3)CC[C@@H]1C ZINC000249242515 432342763 /nfs/dbraw/zinc/34/27/63/432342763.db2.gz WVUNTJODEIYZFN-SUMWQHHRSA-N 0 3 305.418 3.189 10 0 DGAEHN CN(C(=O)NCC1CCN(Cc2cccs2)CC1)C1CCC1 ZINC000174455154 432349233 /nfs/dbraw/zinc/34/92/33/432349233.db2.gz SWLKJKORRINPHK-UHFFFAOYSA-N 0 3 321.490 3.154 10 0 DGAEHN Cc1nc(C(F)(F)F)c(CN(C)C2CCC(CO)CC2)s1 ZINC000183616142 432310460 /nfs/dbraw/zinc/31/04/60/432310460.db2.gz IHIKBBHXPKDGHV-UHFFFAOYSA-N 0 3 322.396 3.453 10 0 DGAEHN Cc1c([C@H](C)N[C@H]2Cc3ccccc3[C@H]2O)cnn1C(C)(C)C ZINC000248702766 432313132 /nfs/dbraw/zinc/31/31/32/432313132.db2.gz NLIPFRSOHYTZON-UYHISHBKSA-N 0 3 313.445 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308.425 3.079 10 0 DGAEHN O=C(/C=C/c1ccccc1Cl)NCc1ccc2c(c1)CNC2 ZINC000188691566 165132354 /nfs/dbraw/zinc/13/23/54/165132354.db2.gz LSJXDUPKZJNBMG-BQYQJAHWSA-N 0 3 312.800 3.273 10 0 DGAEHN CCC(CC)c1cc(C(=O)NCc2ccc3c(c2)CNC3)on1 ZINC000188755418 165136655 /nfs/dbraw/zinc/13/66/55/165136655.db2.gz CAARQZZHOWZSRK-UHFFFAOYSA-N 0 3 313.401 3.111 10 0 DGAEHN CC(C)c1nc2n(n1)C[C@@H](NCc1ccc(Cl)cc1F)CC2 ZINC000189012015 165146392 /nfs/dbraw/zinc/14/63/92/165146392.db2.gz JVVBVRYAASLRRV-ZDUSSCGKSA-N 0 3 322.815 3.299 10 0 DGAEHN O=C1[C@@H](N[C@@H]2CCc3ccccc32)CCN1Cc1ccc(F)cc1 ZINC000189046169 165146438 /nfs/dbraw/zinc/14/64/38/165146438.db2.gz KFJGDPXAJZRVRP-MOPGFXCFSA-N 0 3 324.399 3.204 10 0 DGAEHN CN1CC[C@@H](NCc2ccc(F)nc2)[C@@H]1c1ccc(Cl)cc1 ZINC000189170281 165152023 /nfs/dbraw/zinc/15/20/23/165152023.db2.gz OUJWCRXPZDJLTN-WBVHZDCISA-N 0 3 319.811 3.409 10 0 DGAEHN COc1ccc([C@@H]2C[C@H](C)N(C[C@H](O)CC(F)(F)F)C2)cc1 ZINC000189362763 165157481 /nfs/dbraw/zinc/15/74/81/165157481.db2.gz 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3.304 10 0 DGAEHN COc1cc(F)cc(CNC/C=C\CNC(=O)OC(C)(C)C)c1 ZINC000312287657 656124432 /nfs/dbraw/zinc/12/44/32/656124432.db2.gz SRFXKMMNRVHVII-WAYWQWQTSA-N 0 3 324.396 3.005 10 0 DGAEHN C[C@@H](NC1CC(C(N)=O)C1)c1cc(Cl)cc(Cl)c1F ZINC000716724779 661228262 /nfs/dbraw/zinc/22/82/62/661228262.db2.gz ZAPVVZCIKRQROW-SXJRXYEXSA-N 0 3 305.180 3.047 10 0 DGAEHN CC[C@H](CN[C@@H]1CCOc2ccc(Br)cc21)OC ZINC000311234936 656183670 /nfs/dbraw/zinc/18/36/70/656183670.db2.gz VLULQAXBKMROTF-DGCLKSJQSA-N 0 3 314.223 3.287 10 0 DGAEHN CC[C@@H](C[C@@H](C)O)NCc1ccc(Br)c(F)c1F ZINC000716968675 661236534 /nfs/dbraw/zinc/23/65/34/661236534.db2.gz KFFHOFODPWEXBV-SCZZXKLOSA-N 0 3 322.193 3.366 10 0 DGAEHN FC(F)(F)SCCNCc1cc(-c2ccccc2)n[nH]1 ZINC000178618313 656965976 /nfs/dbraw/zinc/96/59/76/656965976.db2.gz WZYCADUIXODHBB-UHFFFAOYSA-N 0 3 301.337 3.419 10 0 DGAEHN Cc1conc1CN[C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000720382325 657511765 /nfs/dbraw/zinc/51/17/65/657511765.db2.gz GNFSBKLTZNWNFX-SFHVURJKSA-N 0 3 301.434 3.229 10 0 DGAEHN COC(OC)[C@H](C)NCc1ccc(OCc2ccccc2)cc1 ZINC000303081278 657514917 /nfs/dbraw/zinc/51/49/17/657514917.db2.gz UZCWCFCBMOCYIJ-HNNXBMFYSA-N 0 3 315.413 3.363 10 0 DGAEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)/C=C/c1cccc(O)c1 ZINC000157362606 659051075 /nfs/dbraw/zinc/05/10/75/659051075.db2.gz XNBDYYFLSSAAQJ-PCUGXKRQSA-N 0 3 324.424 3.042 10 0 DGAEHN C[C@H]1CC[C@@H](CCC(=O)O[C@@H]2CCN(Cc3ccccc3)C2)O1 ZINC000174210105 659420003 /nfs/dbraw/zinc/42/00/03/659420003.db2.gz VLCFBCFHHDIQNU-RYQLBKOJSA-N 0 3 317.429 3.152 10 0 DGAEHN CCN(c1ccc(NC(=O)N2CCCN(C)CC2)cc1)C(C)C ZINC000181362980 659996828 /nfs/dbraw/zinc/99/68/28/659996828.db2.gz ZBRHAFKNMOMVJI-UHFFFAOYSA-N 0 3 318.465 3.091 10 0 DGAEHN C[C@H](NCc1ccnc(Cl)c1)c1ccc(-n2ccnn2)cc1 ZINC000182029160 660031056 /nfs/dbraw/zinc/03/10/56/660031056.db2.gz AJFMGMLJSZYBTD-LBPRGKRZSA-N 0 3 313.792 3.167 10 0 DGAEHN CS[C@@H](C)CC(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183199638 660103800 /nfs/dbraw/zinc/10/38/00/660103800.db2.gz LWQATYJNSBXVAV-HOCLYGCPSA-N 0 3 307.459 3.336 10 0 DGAEHN CSC[C@H](C)C(=O)O[C@H]1CCCN(Cc2ccccc2)C1 ZINC000183201579 660104367 /nfs/dbraw/zinc/10/43/67/660104367.db2.gz QVDWBYCHMLZVMI-HOCLYGCPSA-N 0 3 307.459 3.193 10 0 DGAEHN C[C@H]1C[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)CC[N@@H+]1C ZINC000191398627 662063899 /nfs/dbraw/zinc/06/38/99/662063899.db2.gz XPZDDUCEIIRFMZ-WDEREUQCSA-N 0 3 300.805 3.099 10 0 DGAEHN C[C@H]1C[C@H](N(C)Cc2c([O-])ccc(Cl)c2F)CC[N@H+]1C ZINC000191398627 662063901 /nfs/dbraw/zinc/06/39/01/662063901.db2.gz XPZDDUCEIIRFMZ-WDEREUQCSA-N 0 3 300.805 3.099 10 0 DGAEHN C[C@H]1C[C@H]([N@H+](C)Cc2c([O-])ccc(Cl)c2F)CCN1C ZINC000191398627 662063902 /nfs/dbraw/zinc/06/39/02/662063902.db2.gz XPZDDUCEIIRFMZ-WDEREUQCSA-N 0 3 300.805 3.099 10 0 DGAEHN C[C@H]1C[C@H]([N@@H+](C)Cc2c([O-])ccc(Cl)c2F)CCN1C ZINC000191398627 662063903 /nfs/dbraw/zinc/06/39/03/662063903.db2.gz XPZDDUCEIIRFMZ-WDEREUQCSA-N 0 3 300.805 3.099 10 0 DGAEHN O=C(C[C@@H]1CCCOC1)O[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000193699720 662145620 /nfs/dbraw/zinc/14/56/20/662145620.db2.gz WTMTXVJAPJAUFQ-ZWKOTPCHSA-N 0 3 317.429 3.011 10 0 DGAEHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(C(F)(F)F)s1 ZINC000717933689 662207085 /nfs/dbraw/zinc/20/70/85/662207085.db2.gz BSYUJPJOHQVGGR-VIFPVBQESA-N 0 3 308.369 3.190 10 0 DGAEHN Cc1cc(N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)nc(N)n1 ZINC000718000432 662213018 /nfs/dbraw/zinc/21/30/18/662213018.db2.gz MKMZMMMSYUKPLC-LSDHHAIUSA-N 0 3 312.417 3.163 10 0 DGAEHN Cc1cc(N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)nc(N)n1 ZINC000718000430 662213109 /nfs/dbraw/zinc/21/31/09/662213109.db2.gz MKMZMMMSYUKPLC-HUUCEWRRSA-N 0 3 312.417 3.163 10 0 DGAEHN Cc1cc(N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)nc(N)n1 ZINC000718000428 662213122 /nfs/dbraw/zinc/21/31/22/662213122.db2.gz MKMZMMMSYUKPLC-GJZGRUSLSA-N 0 3 312.417 3.163 10 0 DGAEHN Cc1coc(CNCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000718030208 662214374 /nfs/dbraw/zinc/21/43/74/662214374.db2.gz KJQCJEBBVAMECO-CQSZACIVSA-N 0 3 308.422 3.325 10 0 DGAEHN C[C@@H](NC1CC(CC(N)=O)C1)c1cc(Cl)ccc1Cl ZINC000718426872 662255108 /nfs/dbraw/zinc/25/51/08/662255108.db2.gz YQGCUWXGCFICLK-FKTRJACZSA-N 0 3 301.217 3.298 10 0 DGAEHN COCC(C)(C)CCNCc1cc(O)ccc1Br ZINC000718743837 662261126 /nfs/dbraw/zinc/26/11/26/662261126.db2.gz HIIMNXVKWQHSAS-UHFFFAOYSA-N 0 3 316.239 3.307 10 0 DGAEHN Cc1nc(CNCC2CC(F)(F)C2)sc1Br ZINC000719215812 662271553 /nfs/dbraw/zinc/27/15/53/662271553.db2.gz IDBOPQZWTOPQPI-UHFFFAOYSA-N 0 3 311.195 3.349 10 0 DGAEHN CC(C)n1ccc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H]2C)n1 ZINC000381050585 685154850 /nfs/dbraw/zinc/15/48/50/685154850.db2.gz GYBVNWUUEYLKFC-VQIMIIECSA-N 0 3 312.461 3.217 10 0 DGAEHN CCSCCNCc1ccc(Br)cc1[N+](=O)[O-] ZINC000383902902 685169623 /nfs/dbraw/zinc/16/96/23/685169623.db2.gz WXLHGEIJUSRAEH-UHFFFAOYSA-N 0 3 319.224 3.200 10 0 DGAEHN CCOCCNCc1ccc(Br)cc1SC ZINC000309661266 1176748282 /nfs/dbraw/zinc/74/82/82/1176748282.db2.gz RKPPECUVEOXMJD-UHFFFAOYSA-N 0 3 304.253 3.297 10 0 DGAEHN c1cn(-c2ccccc2)nc1CNCCc1ccc2c(c1)CCO2 ZINC000091060553 1198339428 /nfs/dbraw/zinc/33/94/28/1198339428.db2.gz KKGSKBYMSLAHGH-UHFFFAOYSA-N 0 3 319.408 3.140 10 0 DGAEHN CCN(CC)c1ccc(CN[C@H](C)c2cccc(CO)c2)cn1 ZINC000121362657 1200210119 /nfs/dbraw/zinc/21/01/19/1200210119.db2.gz KQENEHVRHDHRKU-OAHLLOKOSA-N 0 3 313.445 3.271 10 0 DGAEHN CCOCCCCNCc1cc(O)ccc1Br ZINC000126593445 1200580190 /nfs/dbraw/zinc/58/01/90/1200580190.db2.gz XATWLVFRDMTGCG-UHFFFAOYSA-N 0 3 302.212 3.061 10 0 DGAEHN COc1ccccc1[C@H](C)NCCOc1ccc2c(c1)OCO2 ZINC000133975741 1201197109 /nfs/dbraw/zinc/19/71/09/1201197109.db2.gz AMKSIEBFWZDUIS-ZDUSSCGKSA-N 0 3 315.369 3.154 10 0 DGAEHN Oc1cccc(CNCCNc2ncccc2C(F)(F)F)c1 ZINC000152758647 1202595164 /nfs/dbraw/zinc/59/51/64/1202595164.db2.gz YHWAGKOAQOSSFL-UHFFFAOYSA-N 0 3 311.307 3.008 10 0 DGAEHN CCN(CCNCc1cc(F)ccc1C)C(=O)OC(C)(C)C ZINC000233474627 1202602742 /nfs/dbraw/zinc/60/27/42/1202602742.db2.gz ZYALYBKWFZURFX-UHFFFAOYSA-N 0 3 310.413 3.481 10 0 DGAEHN C[C@H]1C[C@H](NCc2cccc(O)c2)CN(C(=O)OC(C)(C)C)C1 ZINC000401732791 1093968732 /nfs/dbraw/zinc/96/87/32/1093968732.db2.gz VXXPGVPIKAIQDT-ZFWWWQNUSA-N 0 3 320.433 3.127 10 0 DGAEHN CCCC[C@@H](CNC(=O)OC(C)(C)C)NCc1ccns1 ZINC000404420830 1094257392 /nfs/dbraw/zinc/25/73/92/1094257392.db2.gz COZVAKIFFHCORG-LBPRGKRZSA-N 0 3 313.467 3.316 10 0 DGAEHN Cc1nc(C)c(CN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)o1 ZINC000404783311 1094268490 /nfs/dbraw/zinc/26/84/90/1094268490.db2.gz XBTVTEQHCPJMNE-UONOGXRCSA-N 0 3 323.437 3.073 10 0 DGAEHN OC1CCC(CNCc2c(F)cccc2Br)CC1 ZINC000394912301 546761034 /nfs/dbraw/zinc/76/10/34/546761034.db2.gz HBVJRGMHYAJGLW-UHFFFAOYSA-N 0 3 316.214 3.229 10 0 DGAEHN CCNCc1sc(-c2ccccc2OCC)nc1COC ZINC000082446365 185183443 /nfs/dbraw/zinc/18/34/43/185183443.db2.gz YPZGNHNZBFGARQ-UHFFFAOYSA-N 0 3 306.431 3.465 10 0 DGAEHN CCNCc1sc(-c2cccc(OCC)c2)nc1COC ZINC000082446402 185183590 /nfs/dbraw/zinc/18/35/90/185183590.db2.gz HXKCTCXDJSURTG-UHFFFAOYSA-N 0 3 306.431 3.465 10 0 DGAEHN OCCC1(CN[C@@H]2CCc3sc(Br)cc32)CC1 ZINC000310099055 231111370 /nfs/dbraw/zinc/11/13/70/231111370.db2.gz MOGMLGJQULGNAS-SNVBAGLBSA-N 0 3 316.264 3.250 10 0 DGAEHN CN(CC1CC1)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000063463678 432005507 /nfs/dbraw/zinc/00/55/07/432005507.db2.gz ANTFVLAWXPOSCS-SFHVURJKSA-N 0 3 315.461 3.093 10 0 DGAEHN Cc1nccn1C[C@@H]1CCCN1Cc1ccccc1OC(F)F ZINC000178294166 282214676 /nfs/dbraw/zinc/21/46/76/282214676.db2.gz HVFKNKFZOLNWFD-HNNXBMFYSA-N 0 3 321.371 3.458 10 0 DGAEHN C[NH+](C)CCc1cccc(-c2c[nH]c(=O)c3cccc([O-])c32)c1 ZINC000090502507 185299449 /nfs/dbraw/zinc/29/94/49/185299449.db2.gz MHXTZTCTSHJGEF-UHFFFAOYSA-N 0 3 308.381 3.005 10 0 DGAEHN COc1cc(CN2CCC[C@H]3CCC[C@@H]32)cc2c1OCCO2 ZINC000092485527 185321752 /nfs/dbraw/zinc/32/17/52/185321752.db2.gz LUJBGKBPOAXTMT-CABCVRRESA-N 0 3 303.402 3.231 10 0 DGAEHN CCc1nn(C)c(CC)c1CN1CCC[C@H](c2nccs2)C1 ZINC000092789043 185341219 /nfs/dbraw/zinc/34/12/19/185341219.db2.gz SVRCWWXFZNDDNT-ZDUSSCGKSA-N 0 3 318.490 3.381 10 0 DGAEHN CC(C)COc1ccc([C@@H](C)NCC[C@H]2CCOC2=O)cc1 ZINC000181406527 199292297 /nfs/dbraw/zinc/29/22/97/199292297.db2.gz AFCNTZOGMWURCJ-ZBFHGGJFSA-N 0 3 305.418 3.325 10 0 DGAEHN CC(C)COC1CCN(CCC(=O)OCc2ccccc2)CC1 ZINC000181436688 199296831 /nfs/dbraw/zinc/29/68/31/199296831.db2.gz XPSKBUFGHRRLQL-UHFFFAOYSA-N 0 3 319.445 3.257 10 0 DGAEHN CN1CCC(OCC(O)(c2ccccc2)c2ccccc2)CC1 ZINC000169342357 197744557 /nfs/dbraw/zinc/74/45/57/197744557.db2.gz FFAYYBIZRATWRN-UHFFFAOYSA-N 0 3 311.425 3.033 10 0 DGAEHN CC(=O)CCN1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000103479359 432009861 /nfs/dbraw/zinc/00/98/61/432009861.db2.gz OCFFFJXDIOZPOJ-AWEZNQCLSA-N 0 3 317.364 3.034 10 0 DGAEHN CCCNC(=O)CCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000129937199 432011778 /nfs/dbraw/zinc/01/17/78/432011778.db2.gz PLGSJJNKVOIAPQ-MRXNPFEDSA-N 0 3 304.434 3.023 10 0 DGAEHN Cc1noc([C@H](C)N2CCN(CC3CCCCCC3)CC2)n1 ZINC000121250379 282410995 /nfs/dbraw/zinc/41/09/95/282410995.db2.gz FTFQIXUEUYAIMC-AWEZNQCLSA-N 0 3 306.454 3.027 10 0 DGAEHN Cc1oncc1CN1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000130058056 432013642 /nfs/dbraw/zinc/01/36/42/432013642.db2.gz BRJUALNYANRHDA-HNNXBMFYSA-N 0 3 323.400 3.148 10 0 DGAEHN CCc1nc2n(n1)C[C@H](N[C@@H](C)c1ccc(Cl)s1)CC2 ZINC000130262266 432019609 /nfs/dbraw/zinc/01/96/09/432019609.db2.gz GPRDHDBYRCIJEP-VHSXEESVSA-N 0 3 310.854 3.221 10 0 DGAEHN CC(C)C[C@H](CN(C)C)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000130366450 432021981 /nfs/dbraw/zinc/02/19/81/432021981.db2.gz CDBYPTOUOKEMKG-MSOLQXFVSA-N 0 3 302.462 3.273 10 0 DGAEHN CC(C)[C@H]1CN(C(C)C)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071767771 191028687 /nfs/dbraw/zinc/02/86/87/191028687.db2.gz PQSZAYCKWOLESH-QGZVFWFLSA-N 0 3 306.425 3.293 10 0 DGAEHN Cc1cc(CN2CCC[C@H](Cn3nc(C)nc3C)C2)c(C)s1 ZINC000171506766 186170264 /nfs/dbraw/zinc/17/02/64/186170264.db2.gz BQDCGDHKJZCFMC-INIZCTEOSA-N 0 3 318.490 3.485 10 0 DGAEHN C[C@H](N[C@@H]1CCCCNC1=O)[C@H](C)c1nc2ccccc2s1 ZINC000177874561 186197759 /nfs/dbraw/zinc/19/77/59/186197759.db2.gz MSGVDRANHSJZQY-SGMGOOAPSA-N 0 3 317.458 3.047 10 0 DGAEHN CNC(=O)C(C)(C)CN[C@H](c1ccccc1)c1ccccc1C ZINC000183840037 186222754 /nfs/dbraw/zinc/22/27/54/186222754.db2.gz MANYOLAOIPLIQN-GOSISDBHSA-N 0 3 310.441 3.446 10 0 DGAEHN Cc1ccc(C[C@@H](C)N(C)C(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237507702 186299229 /nfs/dbraw/zinc/29/92/29/186299229.db2.gz SFXOFFULTNPUNZ-VQIMIIECSA-N 0 3 310.441 3.475 10 0 DGAEHN COc1ccc(Br)cc1CN(C[C@H](C)O)C(C)C ZINC000107041550 432026186 /nfs/dbraw/zinc/02/61/86/432026186.db2.gz DJNRFBGCIFRQGY-NSHDSACASA-N 0 3 316.239 3.049 10 0 DGAEHN CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1ccc(F)c(F)c1)CC2 ZINC000171981289 198020385 /nfs/dbraw/zinc/02/03/85/198020385.db2.gz FQJYNPUGDKKBHN-WCQYABFASA-N 0 3 320.387 3.345 10 0 DGAEHN Cn1cc([C@@H]2CCN(Cc3ccccc3OC(F)F)C2)cn1 ZINC000172057980 198032430 /nfs/dbraw/zinc/03/24/30/198032430.db2.gz WTKGEAFGQCRPNY-GFCCVEGCSA-N 0 3 307.344 3.011 10 0 DGAEHN CC(C)(C)NC(=O)CN[C@@H](Cc1ccccc1)c1ccccc1 ZINC000072824849 191234965 /nfs/dbraw/zinc/23/49/65/191234965.db2.gz OMCGHJLTNGTLGV-SFHVURJKSA-N 0 3 310.441 3.475 10 0 DGAEHN C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(F)c(F)cc2F)CCN1C ZINC000173089321 198184079 /nfs/dbraw/zinc/18/40/79/198184079.db2.gz SWWLKCGQPAIGQQ-UWVGGRQHSA-N 0 3 315.339 3.050 10 0 DGAEHN Cc1cc([C@H](C)NC(=O)N2CC[C@H](N3CC=CC3)C2)c(C)s1 ZINC000173872281 198263062 /nfs/dbraw/zinc/26/30/62/198263062.db2.gz JNOIOLNPAUIJNN-ZFWWWQNUSA-N 0 3 319.474 3.082 10 0 DGAEHN C[C@@H](C(=O)N1C[C@H]2CCCN2Cc2ccccc21)c1cccnc1 ZINC000174032969 198283630 /nfs/dbraw/zinc/28/36/30/198283630.db2.gz KUGDETPAUGMTMV-CRAIPNDOSA-N 0 3 321.424 3.196 10 0 DGAEHN CC(C)[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(Cl)cc1F ZINC000182089306 199385503 /nfs/dbraw/zinc/38/55/03/199385503.db2.gz PIZZADASSYUISK-LRDDRELGSA-N 0 3 312.816 3.387 10 0 DGAEHN COc1cccc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000174377544 198327596 /nfs/dbraw/zinc/32/75/96/198327596.db2.gz GOCPEETVTKBOOS-ROUUACIJSA-N 0 3 312.413 3.178 10 0 DGAEHN C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(Cl)cc2F)CCN1C ZINC000174393844 198330116 /nfs/dbraw/zinc/33/01/16/198330116.db2.gz 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