smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](c1ccc(C(=O)[O-])o1)[N@H+](C)CCCOCc1ccccc1 ZINC000383617758 971881313 /nfs/dbraw/zinc/88/13/13/971881313.db2.gz QCJZRIRJKMVIEN-CQSZACIVSA-N 0 0 317.385 3.578 10 0 DHAERN C[N@H+](Cc1ccc(Cl)cc1Cl)C1(C(=O)[O-])CCCC1 ZINC000388399743 972168844 /nfs/dbraw/zinc/16/88/44/972168844.db2.gz XRCFWSPZARKXGH-UHFFFAOYSA-N 0 0 302.201 3.823 10 0 DHAERN O=C([O-])CCCC[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000262298272 961629412 /nfs/dbraw/zinc/62/94/12/961629412.db2.gz ZBBMSLADICTYIU-HXUWFJFHSA-N 0 0 309.409 3.889 10 0 DHAERN O=C([O-])c1cccc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000262953834 962038096 /nfs/dbraw/zinc/03/80/96/962038096.db2.gz BCBPCDOZGKPGAN-LJQANCHMSA-N 0 0 309.409 3.982 10 0 DHAERN COc1cc(OC)c(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000085628967 1014095057 /nfs/dbraw/zinc/09/50/57/1014095057.db2.gz VSIHJUQRRDXRJG-ZWZTZDBGSA-N 0 0 311.809 3.583 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc2ncccc2c1 ZINC000692463259 976494529 /nfs/dbraw/zinc/49/45/29/976494529.db2.gz ZWFVCGQOMNPCDA-UHFFFAOYSA-N 0 0 320.392 3.712 10 0 DHAERN C[C@H]([NH2+]Cc1csc(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000701877265 977051259 /nfs/dbraw/zinc/05/12/59/977051259.db2.gz VNLRIJWVZFGAKA-VIFPVBQESA-N 0 0 303.374 3.750 10 0 DHAERN Cn1c2ccccc2nc1[C@H](NCc1cc[nH]c1)c1ccccc1 ZINC000086252472 1032256780 /nfs/dbraw/zinc/25/67/80/1032256780.db2.gz XXIXVAQOXAKZRJ-LJQANCHMSA-N 0 0 316.408 3.781 10 0 DHAERN Fc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202702 1032389801 /nfs/dbraw/zinc/38/98/01/1032389801.db2.gz JFICDZDRACUNEK-OAHLLOKOSA-N 0 0 317.751 3.741 10 0 DHAERN Cc1ccccc1NCC(=O)N1CCC[C@H]1c1cccs1 ZINC000060934748 1019728986 /nfs/dbraw/zinc/72/89/86/1019728986.db2.gz FAZMJWXTDKPRRH-HNNXBMFYSA-N 0 0 300.427 3.832 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]1c1ccco1 ZINC000049374113 1025708785 /nfs/dbraw/zinc/70/87/85/1025708785.db2.gz XXIIRZHVCAWIKO-ZJUUUORDSA-N 0 0 324.149 3.923 10 0 DHAERN Cc1ccc(C)c(CC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067047050 1030519920 /nfs/dbraw/zinc/51/99/20/1030519920.db2.gz WZCIHCHOEWIYCI-HNNXBMFYSA-N 0 0 314.454 3.709 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)ccc1F ZINC000067048609 1030522768 /nfs/dbraw/zinc/52/27/68/1030522768.db2.gz JAFSLXWEWLLUGI-ZDUSSCGKSA-N 0 0 304.390 3.610 10 0 DHAERN C[C@@H](c1ccco1)N(C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068833 1030544035 /nfs/dbraw/zinc/54/40/35/1030544035.db2.gz TUQAEFTWBSMWKI-UONOGXRCSA-N 0 0 318.442 3.698 10 0 DHAERN CC(=O)c1ccccc1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000072797582 1030582611 /nfs/dbraw/zinc/58/26/11/1030582611.db2.gz AJVAPZPOVICWIJ-UHFFFAOYSA-N 0 0 305.377 3.819 10 0 DHAERN CC(C)(C)[C@H](NC(=O)[C@@H]1CCCn2ccnc21)c1cccs1 ZINC000080597003 1031419931 /nfs/dbraw/zinc/41/99/31/1031419931.db2.gz QGKBPFNPVCJUNF-TZMCWYRMSA-N 0 0 317.458 3.726 10 0 DHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)C2)c1 ZINC000081639675 1031565831 /nfs/dbraw/zinc/56/58/31/1031565831.db2.gz JVGZYVOOONJDAK-HUUCEWRRSA-N 0 0 319.445 3.702 10 0 DHAERN CO[C@H](C)CNC(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000190450558 334930050 /nfs/dbraw/zinc/93/00/50/334930050.db2.gz HOKHFEABKSCPPK-CABCVRRESA-N 0 0 322.449 3.507 10 0 DHAERN CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000002563085 581091100 /nfs/dbraw/zinc/09/11/00/581091100.db2.gz FHXBMXJMKMWVRG-SLHNCBLASA-N 0 0 314.425 3.829 10 0 world DHAERN CC(C)(C)c1ccnc(I)c1OC1CC1 ZINC000095721879 185383451 /nfs/dbraw/zinc/38/34/51/185383451.db2.gz AVMDZUMCLAWEJK-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Oc1cc(OC2CCCCC2)ccc1I ZINC000095723179 185383491 /nfs/dbraw/zinc/38/34/91/185383491.db2.gz FHJTWXJSEPXNIC-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CSc1cc(OC2CC2)ccc1I ZINC000095732190 185383618 /nfs/dbraw/zinc/38/36/18/185383618.db2.gz RSAJFQXFJIRRHG-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN Brc1cncc(-c2nccn2Cc2ccccc2)c1 ZINC000082739526 185199732 /nfs/dbraw/zinc/19/97/32/185199732.db2.gz VEKLUZGHQAEPMO-UHFFFAOYSA-N 0 0 314.186 3.756 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000088559865 185257986 /nfs/dbraw/zinc/25/79/86/185257986.db2.gz GWIQYJOVOJVKTQ-YGRLFVJLSA-N 0 0 322.815 3.819 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000090224839 185287188 /nfs/dbraw/zinc/28/71/88/185287188.db2.gz RCGQCHREHYWGIZ-SCLBCKFNSA-N 0 0 310.445 3.651 10 0 DHAERN CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224899 185287312 /nfs/dbraw/zinc/28/73/12/185287312.db2.gz SAUILYNAKMISNS-LSDHHAIUSA-N 0 0 304.825 3.816 10 0 DHAERN FC(F)(F)c1ncc(Br)c(NC2CCCC2)n1 ZINC000090557577 185303162 /nfs/dbraw/zinc/30/31/62/185303162.db2.gz KYJALVYQCCCFPV-UHFFFAOYSA-N 0 0 310.117 3.612 10 0 DHAERN Cc1c(C(=O)Oc2ccccc2C)nnn1-c1cc(C)cc(C)c1 ZINC000036639083 190663811 /nfs/dbraw/zinc/66/38/11/190663811.db2.gz KCKYDERGZGUWMI-UHFFFAOYSA-N 0 0 321.380 3.720 10 0 DHAERN Cc1ccccc1CC(=O)NCc1ccc2c(c1)ncn2C(C)C ZINC000064754974 190703763 /nfs/dbraw/zinc/70/37/63/190703763.db2.gz UYYUVIYZJRJOEB-UHFFFAOYSA-N 0 0 321.424 3.785 10 0 DHAERN COC(=O)c1sc(-c2ccccc2Br)nc1C ZINC000072170983 191069163 /nfs/dbraw/zinc/06/91/63/191069163.db2.gz GVIVWZSPBYCUFE-UHFFFAOYSA-N 0 0 312.188 3.668 10 0 DHAERN Brc1ccccc1-n1nccc1-c1nccs1 ZINC000072190506 191073243 /nfs/dbraw/zinc/07/32/43/191073243.db2.gz ZHDXSQIVKZCCID-UHFFFAOYSA-N 0 0 306.188 3.758 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2sc(C)nc2C)C12CCCC2 ZINC000150808168 186067387 /nfs/dbraw/zinc/06/73/87/186067387.db2.gz XTVIVXZQBHXDSG-KGLIPLIRSA-N 0 0 322.474 3.570 10 0 DHAERN CC(C)(C)c1cc(C[C@@H]2SCNC2=O)cc(C(C)(C)C)c1O ZINC000000002274 180668089 /nfs/dbraw/zinc/66/80/89/180668089.db2.gz ILMMRHUILQOQGP-AWEZNQCLSA-N 0 0 321.486 3.719 10 0 investigational DHAERN COc1cccc(-c2ccnc3nc(-c4ccc(C)cc4)nn32)c1 ZINC000072451351 191169796 /nfs/dbraw/zinc/16/97/96/191169796.db2.gz UCBQHXRQVWFHBW-UHFFFAOYSA-N 0 0 316.364 3.775 10 0 DHAERN CC1(C)CC(=O)c2cn3ncc(-c4ccc(F)cc4)c3nc2C1 ZINC000072464032 191174315 /nfs/dbraw/zinc/17/43/15/191174315.db2.gz LOFJBHIGQGWTSG-UHFFFAOYSA-N 0 0 309.344 3.691 10 0 DHAERN CC1(C)Cc2nc(Nc3ccc(Cl)cc3)nc(N)c2C(=O)C1 ZINC000072467670 191174637 /nfs/dbraw/zinc/17/46/37/191174637.db2.gz ZKRBCHUYBLCYGE-UHFFFAOYSA-N 0 0 316.792 3.611 10 0 DHAERN Nc1nc(-c2ccc(-c3cc(N)nc4[nH]ccc43)s2)cs1 ZINC000072473042 191175888 /nfs/dbraw/zinc/17/58/88/191175888.db2.gz DLFMGDREIVFODT-UHFFFAOYSA-N 0 0 313.411 3.579 10 0 DHAERN O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccccc1F ZINC000000288025 180748957 /nfs/dbraw/zinc/74/89/57/180748957.db2.gz RWFFCFILSQXZFW-NTEUORMPSA-N 0 0 301.704 3.824 10 0 DHAERN O=C([C@H]1C[C@H]1c1ccccc1)N1CCC(Nc2ccccc2)CC1 ZINC000001688493 180888440 /nfs/dbraw/zinc/88/84/40/180888440.db2.gz WDHJFGYRFWYQFS-PMACEKPBSA-N 0 0 320.436 3.893 10 0 DHAERN Cc1ccc(NC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 ZINC000073141206 191283275 /nfs/dbraw/zinc/28/32/75/191283275.db2.gz VCKBFEAJPXKTGX-UHFFFAOYSA-N 0 0 312.756 3.951 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000003479898 181025180 /nfs/dbraw/zinc/02/51/80/181025180.db2.gz UYBHDDUDGHKKLV-TZIYXEQSSA-N 0 0 311.381 3.594 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000003565995 181035652 /nfs/dbraw/zinc/03/56/52/181035652.db2.gz KZPFRFXMMOEEMB-VMPITWQZSA-N 0 0 311.381 3.973 10 0 DHAERN C[C@@H](c1ccccc1C(F)(F)F)[NH+]1CCC(C(=O)[O-])CC1 ZINC000003760623 181045235 /nfs/dbraw/zinc/04/52/35/181045235.db2.gz UHFFQSPDCWHCGJ-JTQLQIEISA-N 0 0 301.308 3.563 10 0 DHAERN Cc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1 ZINC000004072113 181069403 /nfs/dbraw/zinc/06/94/03/181069403.db2.gz MSHYTEDSWNKCRI-UHFFFAOYSA-N 0 0 301.396 3.827 10 0 DHAERN COc1ccc2[nH+]cc(C(=O)[O-])c(NCCc3ccccc3)c2c1 ZINC000004226226 181086387 /nfs/dbraw/zinc/08/63/87/181086387.db2.gz DIWHMLJMLFBBTF-UHFFFAOYSA-N 0 0 322.364 3.596 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)/C=C/c1ccccc1 ZINC000004281420 181092580 /nfs/dbraw/zinc/09/25/80/181092580.db2.gz LNCBLRVWYIRFAC-CMDGGOBGSA-N 0 0 301.367 3.577 10 0 DHAERN CCn1nc(C)c(Br)c1C(=O)Oc1ccc(C)cc1 ZINC000004394491 181106791 /nfs/dbraw/zinc/10/67/91/181106791.db2.gz RNUAMBMYOQOARH-UHFFFAOYSA-N 0 0 323.190 3.502 10 0 DHAERN O=C1CCN(c2nc(Cl)nc3c4ccccc4sc32)CC1 ZINC000073736328 191349423 /nfs/dbraw/zinc/34/94/23/191349423.db2.gz OCBSQQAKNAMAQW-UHFFFAOYSA-N 0 0 317.801 3.667 10 0 DHAERN CCSCC[C@@H](C)N(C)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000075381742 191468688 /nfs/dbraw/zinc/46/86/88/191468688.db2.gz UVWGTCJJKONACK-ZIAGYGMSSA-N 0 0 309.475 3.789 10 0 DHAERN CCCNC(=O)c1cc2occc2c(Nc2ccc(F)cc2)n1 ZINC000075436653 191473388 /nfs/dbraw/zinc/47/33/88/191473388.db2.gz UTSUUQHEJQKSMR-UHFFFAOYSA-N 0 0 313.332 3.850 10 0 DHAERN Cc1nc(CSc2ccc(C(=O)N[C@@H]3C[C@@H]3C)cc2)cs1 ZINC000075520574 191484427 /nfs/dbraw/zinc/48/44/27/191484427.db2.gz ZXLOVJJTVHOEHX-ZUZCIYMTSA-N 0 0 318.467 3.882 10 0 DHAERN CC(C)(C)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000005146560 181209184 /nfs/dbraw/zinc/20/91/84/181209184.db2.gz HHMNQFNNIFNVDR-UHFFFAOYSA-N 0 0 313.426 3.520 10 0 DHAERN Cc1nc(SCc2ccc(Cl)c(Cl)c2)[nH]c(=O)c1C ZINC000005155307 181210793 /nfs/dbraw/zinc/21/07/93/181210793.db2.gz HYFAPTMONHFRLG-UHFFFAOYSA-N 0 0 315.225 3.986 10 0 DHAERN CC(=O)c1cc(Br)c(C(C)=O)cc1Br ZINC000005481241 181248381 /nfs/dbraw/zinc/24/83/81/181248381.db2.gz BYCHGOQCJHVYFQ-UHFFFAOYSA-N 0 0 319.980 3.617 10 0 DHAERN Cc1ccc(C)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1C ZINC000005659066 181268539 /nfs/dbraw/zinc/26/85/39/181268539.db2.gz PPECMJCHDMUNQB-UHFFFAOYSA-N 0 0 312.413 3.695 10 0 DHAERN Cc1c(Cl)cccc1-n1c(=O)c2ccccc2nc1CF ZINC000005765011 181282023 /nfs/dbraw/zinc/28/20/23/181282023.db2.gz WVXKNJCOURJHDJ-UHFFFAOYSA-N 0 0 302.736 3.817 10 0 DHAERN O=C(N[C@H](c1ccccc1)[C@@H]1CCCCC1=O)c1ccccc1 ZINC000005775118 181282957 /nfs/dbraw/zinc/28/29/57/181282957.db2.gz QNLJSFZVIUCHQK-IEBWSBKVSA-N 0 0 307.393 3.917 10 0 DHAERN Cc1ccc(C)c(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000005793722 181284368 /nfs/dbraw/zinc/28/43/68/181284368.db2.gz MTJRKWMPKBPRQL-UHFFFAOYSA-N 0 0 313.441 3.623 10 0 DHAERN Oc1ccc(-c2nnc(COc3ccc4ccccc4c3)[nH]2)cc1 ZINC000006000408 181305083 /nfs/dbraw/zinc/30/50/83/181305083.db2.gz OMMCDKFXDMBAMN-UHFFFAOYSA-N 0 0 317.348 3.910 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000006329186 181330471 /nfs/dbraw/zinc/33/04/71/181330471.db2.gz VQNKXLLRAYQEBW-IQJOONFLSA-N 0 0 312.182 3.963 10 0 DHAERN CC(=O)Oc1ccc(C(=O)N2CC[C@H](C)c3ccccc32)cc1 ZINC000196122234 201423375 /nfs/dbraw/zinc/42/33/75/201423375.db2.gz KEKRFBHQGPSFOE-ZDUSSCGKSA-N 0 0 309.365 3.766 10 0 DHAERN Cc1ccc2c(cc3c(=O)n(Cc4ccccc4C)nc(C)n32)c1 ZINC000006803341 181391395 /nfs/dbraw/zinc/39/13/95/181391395.db2.gz OJPHPRKZHFYACV-UHFFFAOYSA-N 0 0 317.392 3.623 10 0 DHAERN F[C@]1(Cl)Oc2ccc(Br)cc2O[C@@]1(F)Cl ZINC000091252150 193026920 /nfs/dbraw/zinc/02/69/20/193026920.db2.gz DEVDQAXVEGUCIT-JGVFFNPUSA-N 0 0 319.916 3.945 10 0 DHAERN COc1ccc(C(=O)C(F)(F)F)cc1OC(=O)c1ccccc1 ZINC000091364328 193046702 /nfs/dbraw/zinc/04/67/02/193046702.db2.gz NFAANKKKVXLRDU-UHFFFAOYSA-N 0 0 324.254 3.659 10 0 DHAERN CSc1cccc(-n2c(=O)c3ccccc3[nH]c2=S)c1 ZINC000007045291 181433973 /nfs/dbraw/zinc/43/39/73/181433973.db2.gz LTRMFQDJEXCKEY-UHFFFAOYSA-N 0 0 300.408 3.770 10 0 DHAERN Cc1ccsc1CN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094577 193156077 /nfs/dbraw/zinc/15/60/77/193156077.db2.gz BYSUHJCHQXJLFO-IUODEOHRSA-N 0 0 309.381 3.643 10 0 DHAERN Cc1ccc(NS(=O)(=O)CCc2ccc(Cl)cc2)cc1 ZINC000255189631 202908395 /nfs/dbraw/zinc/90/83/95/202908395.db2.gz REQRNOWZYVJMGH-UHFFFAOYSA-N 0 0 309.818 3.633 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000007215115 181446307 /nfs/dbraw/zinc/44/63/07/181446307.db2.gz KXIKTRXQOGEUGX-HNNXBMFYSA-N 0 0 301.773 3.523 10 0 DHAERN Cc1ccc(OCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 ZINC000095090466 193422201 /nfs/dbraw/zinc/42/22/01/193422201.db2.gz PBTYKTOTMJZZHE-HNNXBMFYSA-N 0 0 320.433 3.806 10 0 DHAERN C[C@@H](NC(=O)OCc1ccccc1)C(=O)c1ccc(Cl)cc1 ZINC000095757809 193447768 /nfs/dbraw/zinc/44/77/68/193447768.db2.gz MNUPTBUJPGBONE-GFCCVEGCSA-N 0 0 317.772 3.838 10 0 DHAERN Cc1cc(NC(=O)c2ccc(-c3c(C)noc3C)s2)no1 ZINC000008549445 181562962 /nfs/dbraw/zinc/56/29/62/181562962.db2.gz VMDHXVNWJUMOTN-UHFFFAOYSA-N 0 0 303.343 3.569 10 0 DHAERN O=C(CCCSc1ccccc1)Nc1onc2c1CCC2 ZINC000008976482 181594060 /nfs/dbraw/zinc/59/40/60/181594060.db2.gz ATDDBOXIAIHTPO-UHFFFAOYSA-N 0 0 302.399 3.674 10 0 DHAERN CC[C@H](C)NC(=O)CCCCCCCCC(=O)N[C@@H](C)CC ZINC000010120565 181657451 /nfs/dbraw/zinc/65/74/51/181657451.db2.gz HGAQGOHOMGOGCA-HOTGVXAUSA-N 0 0 312.498 3.937 10 0 DHAERN CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)n1nnc2ccccc21 ZINC000016896290 182062274 /nfs/dbraw/zinc/06/22/74/182062274.db2.gz LCSYJDIBKJPRAZ-INIZCTEOSA-N 0 0 308.385 3.638 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000019230508 182108756 /nfs/dbraw/zinc/10/87/56/182108756.db2.gz CZTOSLCCORWIKG-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(F)c(N)c2)cc1 ZINC000019231439 182109510 /nfs/dbraw/zinc/10/95/10/182109510.db2.gz WXNIPAYPVUEKTM-NSHDSACASA-N 0 0 304.390 3.836 10 0 DHAERN Nc1ccc(Cl)cc1NC(=O)c1ccccc1OC(F)F ZINC000019231039 182109648 /nfs/dbraw/zinc/10/96/48/182109648.db2.gz WXAXSDSDPCWILK-UHFFFAOYSA-N 0 0 312.703 3.776 10 0 DHAERN Cc1ccc(C(=O)Nc2ccccc2Br)c(O)c1 ZINC000019435943 182123110 /nfs/dbraw/zinc/12/31/10/182123110.db2.gz ZRWNLKAWOORDBK-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN Cc1ccc(NC(=O)Cc2ccc(Br)cc2)cc1N ZINC000019438019 182123212 /nfs/dbraw/zinc/12/32/12/182123212.db2.gz YLHWNJJGWIHIFF-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1ccccc1Br ZINC000019922846 182164319 /nfs/dbraw/zinc/16/43/19/182164319.db2.gz BPDZXTJAVSKBOG-ZDUSSCGKSA-N 0 0 306.159 3.700 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1Br ZINC000019875030 182159027 /nfs/dbraw/zinc/15/90/27/182159027.db2.gz WLGWTEBMVFZWGK-UHFFFAOYSA-N 0 0 321.193 3.733 10 0 DHAERN Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1N ZINC000020030706 182181703 /nfs/dbraw/zinc/18/17/03/182181703.db2.gz LBLKUQTXAKEARQ-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CCc1cc2c(nc(C)n(CCCc3ccccc3)c2=O)s1 ZINC000020158496 182194189 /nfs/dbraw/zinc/19/41/89/182194189.db2.gz INOQLAVVXZFSJG-UHFFFAOYSA-N 0 0 312.438 3.962 10 0 DHAERN Nc1ccc2c(c1)oc(=O)n2Cc1ccc(Cl)c(Cl)c1 ZINC000020266756 182202204 /nfs/dbraw/zinc/20/22/04/182202204.db2.gz WQTHGCYXUUPUAF-UHFFFAOYSA-N 0 0 309.152 3.532 10 0 DHAERN Cc1sc2ncnc(NCCCO)c2c1-c1ccc(C)cc1 ZINC000020322657 182206994 /nfs/dbraw/zinc/20/69/94/182206994.db2.gz RCZVBDTXNVFXIO-UHFFFAOYSA-N 0 0 313.426 3.769 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1 ZINC000020336195 182209219 /nfs/dbraw/zinc/20/92/19/182209219.db2.gz UHRFYQCONWJOOB-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN CC(C)c1nn(C)cc1N[C@H](C)c1ccc(Br)cn1 ZINC000563807662 335023408 /nfs/dbraw/zinc/02/34/08/335023408.db2.gz QCWQTNPKPRNPDI-SNVBAGLBSA-N 0 0 323.238 3.874 10 0 DHAERN CCCCCCN1c2cc(Br)ccc2C(=O)C1=O ZINC000020519832 182226800 /nfs/dbraw/zinc/22/68/00/182226800.db2.gz KJGPVVAMGVZKQN-UHFFFAOYSA-N 0 0 310.191 3.559 10 0 DHAERN CCC(CC)C(=O)Nc1ccc(CCC(=O)NCC(C)C)cc1 ZINC000021127131 182266360 /nfs/dbraw/zinc/26/63/60/182266360.db2.gz QSBQTJNWXBNRST-UHFFFAOYSA-N 0 0 318.461 3.766 10 0 DHAERN Cc1cccc(NC(=O)[C@H]2CCn3c(nc4ccccc43)C2)c1 ZINC000021884235 182295839 /nfs/dbraw/zinc/29/58/39/182295839.db2.gz DJHWCHBGNZGCKU-AWEZNQCLSA-N 0 0 305.381 3.546 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Cl ZINC000027834059 182492640 /nfs/dbraw/zinc/49/26/40/182492640.db2.gz IHTVKWLUHHVJGQ-IUCAKERBSA-N 0 0 306.715 3.586 10 0 DHAERN CC(C)(C)OC(=O)[C@]1(OC(C)(C)C)NC=Cc2ccccc21 ZINC000100474093 193799885 /nfs/dbraw/zinc/79/98/85/193799885.db2.gz ORLRIFGIWJGUPR-SFHVURJKSA-N 0 0 303.402 3.570 10 0 DHAERN C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Br)cc1 ZINC000033456412 182713502 /nfs/dbraw/zinc/71/35/02/182713502.db2.gz CSZZHDFJKDLWPK-MQGYJPLLSA-N 0 0 308.219 3.863 10 0 DHAERN Cc1ccccc1[C@@H]1c2cccn2CCN1C(=O)C1CCCC1 ZINC000035818658 182788886 /nfs/dbraw/zinc/78/88/86/182788886.db2.gz PIQFYFNZFBDSEB-LJQANCHMSA-N 0 0 308.425 3.918 10 0 DHAERN Cc1ccsc1C(=O)Nc1ccc(N)cc1Br ZINC000036738468 182839233 /nfs/dbraw/zinc/83/92/33/182839233.db2.gz VPUAYHLLFSDFPR-UHFFFAOYSA-N 0 0 311.204 3.654 10 0 DHAERN Cc1nn(C)c(C)c1CNc1cc(Br)ccc1F ZINC000036750704 182840284 /nfs/dbraw/zinc/84/02/84/182840284.db2.gz WPXAVZFMWHMYKZ-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN Cn1c2ccc(Br)cc2nc1-c1ccc(F)cc1N ZINC000037441270 182893378 /nfs/dbraw/zinc/89/33/78/182893378.db2.gz AGIZGVUYXPNSFR-UHFFFAOYSA-N 0 0 320.165 3.724 10 0 DHAERN CCCn1cc(NCc2ccccc2Br)ccc1=O ZINC000037774855 182924774 /nfs/dbraw/zinc/92/47/74/182924774.db2.gz KREYTMOXKRKZFD-UHFFFAOYSA-N 0 0 321.218 3.633 10 0 DHAERN O[C@@H]1CCCCC[C@@H]1Nc1cc(Br)ccc1F ZINC000037891800 182934195 /nfs/dbraw/zinc/93/41/95/182934195.db2.gz SPPKZMMBNIMPJO-WCQYABFASA-N 0 0 302.187 3.694 10 0 DHAERN CCOC(=O)[C@H](CC(C)C)Nc1ccccc1Br ZINC000037960121 182943485 /nfs/dbraw/zinc/94/34/85/182943485.db2.gz HYJLWJKAKLWBQR-ZDUSSCGKSA-N 0 0 314.223 3.839 10 0 DHAERN Cc1ccc2n1CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@@H]2C ZINC000037974595 182946816 /nfs/dbraw/zinc/94/68/16/182946816.db2.gz XIJPIVDPVYYSGI-SNVBAGLBSA-N 0 0 324.211 3.715 10 0 DHAERN CCCC(=O)NCc1nc2ccccc2n1CCc1ccccc1 ZINC000040189176 183044671 /nfs/dbraw/zinc/04/46/71/183044671.db2.gz RXZCJGQTMUCVRE-UHFFFAOYSA-N 0 0 321.424 3.695 10 0 DHAERN CCCC(=O)NCCCCCc1nc2ccccc2n1CC ZINC000040211224 183045578 /nfs/dbraw/zinc/04/55/78/183045578.db2.gz CFTUMVZZPZDACI-UHFFFAOYSA-N 0 0 301.434 3.685 10 0 DHAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@@H](C)O ZINC000040224860 183046892 /nfs/dbraw/zinc/04/68/92/183046892.db2.gz IAZUFFXNLMOIIV-OAHLLOKOSA-N 0 0 310.397 3.785 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1cccc(C)c1 ZINC000040295728 183052519 /nfs/dbraw/zinc/05/25/19/183052519.db2.gz CDOYNVRLIRLLQD-UHFFFAOYSA-N 0 0 307.397 3.936 10 0 DHAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)NC(C)C ZINC000040306560 183053602 /nfs/dbraw/zinc/05/36/02/183053602.db2.gz QCTZQJMRFNUJEN-UHFFFAOYSA-N 0 0 307.397 3.536 10 0 DHAERN Cc1nnc(Cc2ccc(NC(=O)c3ccc(C)cc3)cc2)o1 ZINC000040323195 183053942 /nfs/dbraw/zinc/05/39/42/183053942.db2.gz RXFHURVRBSHIKK-UHFFFAOYSA-N 0 0 307.353 3.530 10 0 DHAERN C[C@@H](Oc1ccccc1N)C(=O)c1ccc(Br)cc1 ZINC000040352978 183056439 /nfs/dbraw/zinc/05/64/39/183056439.db2.gz WAMGRIQFMVCUBW-SNVBAGLBSA-N 0 0 320.186 3.682 10 0 DHAERN CCN(c1ccccc1)c1ncnc(Nc2ccc(C)cn2)c1N ZINC000040679762 183116258 /nfs/dbraw/zinc/11/62/58/183116258.db2.gz KUBLHCKHJQQXRC-UHFFFAOYSA-N 0 0 320.400 3.664 10 0 DHAERN CCCCc1ccc(Nc2ncnc(N(CC)CC)c2N)cc1 ZINC000040679950 183117007 /nfs/dbraw/zinc/11/70/07/183117007.db2.gz OYFZWLVECNITJR-UHFFFAOYSA-N 0 0 313.449 3.991 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Nc3ncccc3C)c2N)c1 ZINC000040681394 183117097 /nfs/dbraw/zinc/11/70/97/183117097.db2.gz SGIJZKNZHJLDPW-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN CCCNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040707778 183121344 /nfs/dbraw/zinc/12/13/44/183121344.db2.gz SGAHIZJJRVUYPX-UHFFFAOYSA-N 0 0 311.311 3.643 10 0 DHAERN CCN(CC)c1ncnc(Nc2ccc(C)c(Cl)c2)c1N ZINC000040703555 183120130 /nfs/dbraw/zinc/12/01/30/183120130.db2.gz FEVLWAXIVWRSJI-UHFFFAOYSA-N 0 0 305.813 3.610 10 0 DHAERN CCNc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040707409 183121046 /nfs/dbraw/zinc/12/10/46/183121046.db2.gz ZXTUULIXTDMQHL-UHFFFAOYSA-N 0 0 319.412 3.692 10 0 DHAERN CCOc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781041 183132895 /nfs/dbraw/zinc/13/28/95/183132895.db2.gz DXHZQDXQZJGVRX-UHFFFAOYSA-N 0 0 321.384 3.945 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782023 183133280 /nfs/dbraw/zinc/13/32/80/183133280.db2.gz GPTLJKYTRGFFKY-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1NC1CCCC1 ZINC000040782205 183133600 /nfs/dbraw/zinc/13/36/00/183133600.db2.gz WZRFOJVUPAORKO-UHFFFAOYSA-N 0 0 303.797 3.810 10 0 DHAERN Cc1ccc(Nc2ncnc(Sc3ccccc3)c2N)nc1 ZINC000040783220 183133757 /nfs/dbraw/zinc/13/37/57/183133757.db2.gz INKFPPUHWWPGLK-UHFFFAOYSA-N 0 0 309.398 3.657 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040796256 183135082 /nfs/dbraw/zinc/13/50/82/183135082.db2.gz LDLFJASAYKSEKN-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Nc1c(Nc2cccnc2Cl)ncnc1Oc1ccccc1 ZINC000040796170 183135140 /nfs/dbraw/zinc/13/51/40/183135140.db2.gz QDTOZEORWQUWLS-UHFFFAOYSA-N 0 0 313.748 3.643 10 0 DHAERN CC(C)CCNc1ncnc(Nc2cc(F)ccc2F)c1N ZINC000040797821 183135556 /nfs/dbraw/zinc/13/55/56/183135556.db2.gz STHQPZBSCATJCT-UHFFFAOYSA-N 0 0 307.348 3.539 10 0 DHAERN COc1ccccc1Oc1ncnc(OC2CCCCC2)c1N ZINC000040802143 183136265 /nfs/dbraw/zinc/13/62/65/183136265.db2.gz OFQGVXDZZJRPIE-UHFFFAOYSA-N 0 0 315.373 3.571 10 0 DHAERN CCCCC1=C(Br)/C(=C\Br)OC1=O ZINC000040833675 183140026 /nfs/dbraw/zinc/14/00/26/183140026.db2.gz UVJAGAXWVHGYRW-FNORWQNLSA-N 0 0 309.985 3.619 10 0 DHAERN Nc1c(Nc2cc(Cl)ccc2Cl)ncnc1N1CCCC1 ZINC000040724353 183125013 /nfs/dbraw/zinc/12/50/13/183125013.db2.gz YUYPBCWJTCBKAS-UHFFFAOYSA-N 0 0 324.215 3.709 10 0 DHAERN COc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040757741 183129688 /nfs/dbraw/zinc/12/96/88/183129688.db2.gz OIZWEVCWSBHXAS-UHFFFAOYSA-N 0 0 321.384 3.579 10 0 DHAERN CCc1ccc(OC(=O)c2cc3cc(OC)ccc3oc2=O)cc1 ZINC000040949486 183150751 /nfs/dbraw/zinc/15/07/51/183150751.db2.gz MCQUPNQUTASQAM-UHFFFAOYSA-N 0 0 324.332 3.583 10 0 DHAERN COCC(=O)Oc1ccc(-c2ccccc2)cc1Br ZINC000040889767 183146100 /nfs/dbraw/zinc/14/61/00/183146100.db2.gz YSLYPKJPFFIEHY-UHFFFAOYSA-N 0 0 321.170 3.668 10 0 DHAERN OC[C@@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000041531964 183199182 /nfs/dbraw/zinc/19/91/82/183199182.db2.gz DZQMHTVDKIRTAU-HNNXBMFYSA-N 0 0 305.215 3.843 10 0 DHAERN COc1ccc(Cl)cc1C[C@@H](CO)Cc1ccc(F)cc1 ZINC000041542778 183201121 /nfs/dbraw/zinc/20/11/21/183201121.db2.gz BTAKAYOQCXRLEG-ZDUSSCGKSA-N 0 0 308.780 3.881 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000042528700 183280832 /nfs/dbraw/zinc/28/08/32/183280832.db2.gz AZPXBLYTZSIECC-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccc(CO)cc1 ZINC000042362960 183259360 /nfs/dbraw/zinc/25/93/60/183259360.db2.gz JDRKQKZCMUQDLY-UHFFFAOYSA-N 0 0 312.232 3.639 10 0 DHAERN CC[C@@H](NC(=O)c1cc(Br)ccc1F)C(C)C ZINC000042550745 183284266 /nfs/dbraw/zinc/28/42/66/183284266.db2.gz FJUFLECJLSBXHN-GFCCVEGCSA-N 0 0 302.187 3.753 10 0 DHAERN CC(C)C[C@@H](C)N(C)CC(=O)c1ccccc1Br ZINC000042586867 183287576 /nfs/dbraw/zinc/28/75/76/183287576.db2.gz WLQWGJCFHPVLCI-GFCCVEGCSA-N 0 0 312.251 3.998 10 0 DHAERN CC[C@H](C)N(CCOC)c1cc(Br)ccc1C=O ZINC000042585154 183288056 /nfs/dbraw/zinc/28/80/56/183288056.db2.gz WXAILGFEKUSUJE-NSHDSACASA-N 0 0 314.223 3.513 10 0 DHAERN CCN(CC(=O)c1ccccc1Br)CC(F)(F)F ZINC000042774369 183307871 /nfs/dbraw/zinc/30/78/71/183307871.db2.gz YJDANHGVHZSQNK-UHFFFAOYSA-N 0 0 324.140 3.516 10 0 DHAERN C[C@@H](C(=O)c1ccc(Cl)s1)N(CC(F)(F)F)C1CC1 ZINC000042776312 183308008 /nfs/dbraw/zinc/30/80/08/183308008.db2.gz QJWFTLCNCUTSKV-ZETCQYMHSA-N 0 0 311.756 3.999 10 0 DHAERN Cc1csc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000043242023 183346378 /nfs/dbraw/zinc/34/63/78/183346378.db2.gz PRLZXBQXVGHZHS-RKDXNWHRSA-N 0 0 307.341 3.694 10 0 DHAERN Cc1cccc(C[C@@H](O)Cc2ccccc2Br)c1 ZINC000043561082 183371299 /nfs/dbraw/zinc/37/12/99/183371299.db2.gz JNYQPWOMKRZWGC-OAHLLOKOSA-N 0 0 305.215 3.904 10 0 DHAERN Cc1ccc([C@@H](C)n2nc(C)c(Br)c2N)s1 ZINC000043668541 183378102 /nfs/dbraw/zinc/37/81/02/183378102.db2.gz LIRHGRMHUZKFFB-MRVPVSSYSA-N 0 0 300.225 3.515 10 0 DHAERN COc1ccsc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000106012100 194179010 /nfs/dbraw/zinc/17/90/10/194179010.db2.gz WWKWGZJXLGHUOK-DTWKUNHWSA-N 0 0 307.337 3.608 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000106736162 194247754 /nfs/dbraw/zinc/24/77/54/194247754.db2.gz NMPSUSFAEVLPHL-GHMZBOCLSA-N 0 0 319.348 3.802 10 0 DHAERN COc1ccc(Br)cc1C[C@@]1(O)CCCC[C@@H]1C ZINC000049597574 183746171 /nfs/dbraw/zinc/74/61/71/183746171.db2.gz VKUIKSYCYMMPPR-NHYWBVRUSA-N 0 0 313.235 3.941 10 0 DHAERN CC(C)(Br)C(=O)c1ccc(Br)cc1 ZINC000059573293 184139382 /nfs/dbraw/zinc/13/93/82/184139382.db2.gz JJFRQDPTODJBOO-UHFFFAOYSA-N 0 0 305.997 3.805 10 0 DHAERN NC(=S)c1ncccc1COc1cc(Cl)cc(Cl)c1 ZINC000061664035 184181985 /nfs/dbraw/zinc/18/19/85/184181985.db2.gz RAXLWPSKZTZSLQ-UHFFFAOYSA-N 0 0 313.209 3.602 10 0 DHAERN C[C@@H](O)c1ccc(N(C)Cc2ccccn2)c(Br)c1 ZINC000061695440 184183264 /nfs/dbraw/zinc/18/32/64/184183264.db2.gz GYLAXRMPXWOLOZ-LLVKDONJSA-N 0 0 321.218 3.534 10 0 DHAERN CCCn1ccnc(Oc2ccc(C)cc2Br)c1=O ZINC000061761798 184187087 /nfs/dbraw/zinc/18/70/87/184187087.db2.gz BGBMXMPIIZWHGL-UHFFFAOYSA-N 0 0 323.190 3.517 10 0 DHAERN O[C@H](Cc1ccc(Br)cc1)c1ccc2c(c1)COC2 ZINC000062334634 184231023 /nfs/dbraw/zinc/23/10/23/184231023.db2.gz OVNXUVOXWSOXOH-MRXNPFEDSA-N 0 0 319.198 3.755 10 0 DHAERN COC(=O)Cc1csc(COc2ccc(C(C)C)c(C)c2)n1 ZINC000064872565 184305140 /nfs/dbraw/zinc/30/51/40/184305140.db2.gz BJCLLLWYKWFZMI-UHFFFAOYSA-N 0 0 319.426 3.869 10 0 DHAERN CCC(C)(C)c1ccc(OCCCC2N=NC(=S)N2C)cc1 ZINC000064872423 184305437 /nfs/dbraw/zinc/30/54/37/184305437.db2.gz DCYKVJIFKNJZSM-UHFFFAOYSA-N 0 0 319.474 3.803 10 0 DHAERN CCc1ccc(NC(=O)c2cccnc2)c(Br)c1 ZINC000065000467 184307866 /nfs/dbraw/zinc/30/78/66/184307866.db2.gz QUDOYRINQXAXLB-UHFFFAOYSA-N 0 0 305.175 3.659 10 0 DHAERN Cc1nc2cc(-c3noc(-c4ccc(N(C)C)cc4)n3)ccc2o1 ZINC000065149589 184311700 /nfs/dbraw/zinc/31/17/00/184311700.db2.gz BVPUHWQQCSRLDP-UHFFFAOYSA-N 0 0 320.352 3.919 10 0 DHAERN O=C(NCc1cccnc1-c1ccc(F)cc1)c1cccs1 ZINC000065171334 184313674 /nfs/dbraw/zinc/31/36/74/184313674.db2.gz VBJBKTMCZDGAGF-UHFFFAOYSA-N 0 0 312.369 3.879 10 0 DHAERN O=C(Cc1ccsc1)N1CCCn2cc(-c3ccccc3)nc21 ZINC000065259481 184319060 /nfs/dbraw/zinc/31/90/60/184319060.db2.gz WOGGZNGZHLYHIC-UHFFFAOYSA-N 0 0 323.421 3.591 10 0 DHAERN c1csc(CN2CCC[C@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286690 184322082 /nfs/dbraw/zinc/32/20/82/184322082.db2.gz JKDXWGHHAMFTHP-AWEZNQCLSA-N 0 0 312.398 3.530 10 0 DHAERN COc1ccc(OC)c(-c2cc(O)cc(Br)c2)c1 ZINC000065343885 184325670 /nfs/dbraw/zinc/32/56/70/184325670.db2.gz UYXSTXNJZYOCGW-UHFFFAOYSA-N 0 0 309.159 3.839 10 0 DHAERN COC(=O)c1cc(-c2cc(O)cc(Br)c2)cs1 ZINC000065343897 184325868 /nfs/dbraw/zinc/32/58/68/184325868.db2.gz SCGJAPWHLFJYLN-UHFFFAOYSA-N 0 0 313.172 3.670 10 0 DHAERN Cc1cc2nc(Cl)c3ncc(Br)n3c2cc1C ZINC000066054753 184385485 /nfs/dbraw/zinc/38/54/85/184385485.db2.gz UKVJZVSOGZEXJU-UHFFFAOYSA-N 0 0 310.582 3.915 10 0 DHAERN O=c1[nH]c2cccnc2n1-c1ccc(Oc2ccccc2)cc1 ZINC000116881505 194778706 /nfs/dbraw/zinc/77/87/06/194778706.db2.gz ZOFHTNBFYGVVGI-UHFFFAOYSA-N 0 0 303.321 3.506 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(F)c(Br)c1 ZINC000165745068 335056748 /nfs/dbraw/zinc/05/67/48/335056748.db2.gz AOVVZRKCPUVIJO-MRVPVSSYSA-N 0 0 312.186 3.803 10 0 DHAERN CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000074000625 184950008 /nfs/dbraw/zinc/95/00/08/184950008.db2.gz FPSCPHLWKFXQGJ-JKSUJKDBSA-N 0 0 304.434 3.514 10 0 DHAERN Cc1ccccc1NC(=O)C1CCN(c2ccccc2F)CC1 ZINC000010343037 134495689 /nfs/dbraw/zinc/49/56/89/134495689.db2.gz MWNZGBWLGNBCDG-UHFFFAOYSA-N 0 0 312.388 3.989 10 0 DHAERN CO[C@H]1Cc2ccccc2C2(CCN(c3ccccc3)CC2)O1 ZINC000013472047 134513149 /nfs/dbraw/zinc/51/31/49/134513149.db2.gz QOPCQWIYBCZLLN-LJQANCHMSA-N 0 0 309.409 3.728 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)Nc1ccccc1F)CCS2 ZINC000038051341 134705368 /nfs/dbraw/zinc/70/53/68/134705368.db2.gz NKAOUZLRDFYFDC-UHFFFAOYSA-N 0 0 303.362 3.552 10 0 DHAERN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[C@@H](C)O2)s1 ZINC000150933091 196605465 /nfs/dbraw/zinc/60/54/65/196605465.db2.gz CQEQEAYOYDKQPY-WBMJQRKESA-N 0 0 319.426 3.746 10 0 DHAERN C[C@@H]1CCCCN1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000150976203 196611632 /nfs/dbraw/zinc/61/16/32/196611632.db2.gz GRANHWBUEPDNIG-UKRRQHHQSA-N 0 0 302.418 3.873 10 0 DHAERN Cc1noc(C)c1[C@@H](C)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299742168 229379473 /nfs/dbraw/zinc/37/94/73/229379473.db2.gz IFEBWEXYHPRTDR-LQJRIPTKSA-N 0 0 319.405 3.745 10 0 DHAERN CC(C)n1ccnc1CSCc1cc2ccccc2[nH]c1=O ZINC000175298415 332884183 /nfs/dbraw/zinc/88/41/83/332884183.db2.gz YDHHOTBYGYSGDN-UHFFFAOYSA-N 0 0 313.426 3.739 10 0 DHAERN CC(C)C1(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000175574492 332896934 /nfs/dbraw/zinc/89/69/34/332896934.db2.gz MOFFCZCHHXKLMV-VXGBXAGGSA-N 0 0 306.372 3.843 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000047034358 331494766 /nfs/dbraw/zinc/49/47/66/331494766.db2.gz UMSNLWHSUFBGES-VNHYZAJKSA-N 0 0 320.433 3.643 10 0 DHAERN O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109081070 331509467 /nfs/dbraw/zinc/50/94/67/331509467.db2.gz ZKIUTLCUZAALPU-HUUCEWRRSA-N 0 0 319.326 3.566 10 0 DHAERN CN(C)c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109085671 331510064 /nfs/dbraw/zinc/51/00/64/331510064.db2.gz XMBVZCJKNIGVJC-QWHCGFSZSA-N 0 0 316.351 3.773 10 0 DHAERN O=C(Nc1ccc(Cl)cn1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109099002 331510074 /nfs/dbraw/zinc/51/00/74/331510074.db2.gz NMLNKSOFWJXGGB-GHMZBOCLSA-N 0 0 308.715 3.755 10 0 DHAERN CN(C)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109085672 331510075 /nfs/dbraw/zinc/51/00/75/331510075.db2.gz XMBVZCJKNIGVJC-STQMWFEESA-N 0 0 316.351 3.773 10 0 DHAERN CCC[C@@H](C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1)C(C)C ZINC000179386778 331523205 /nfs/dbraw/zinc/52/32/05/331523205.db2.gz IHJOZUQBKYLALL-DZGCQCFKSA-N 0 0 307.434 3.953 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2OCCc3ccccc32)cc1F ZINC000124282627 331563283 /nfs/dbraw/zinc/56/32/83/331563283.db2.gz GWAOTYCNHWFYKX-UGSOOPFHSA-N 0 0 313.372 3.625 10 0 DHAERN CC(=O)Nc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1Cl ZINC000087407822 331767030 /nfs/dbraw/zinc/76/70/30/331767030.db2.gz OSJIXDMCIVXKIR-VIFPVBQESA-N 0 0 306.797 3.513 10 0 DHAERN CCCCOCCOC(=O)[C@H](c1ccccc1)N1CCCCC1 ZINC000056898783 331786299 /nfs/dbraw/zinc/78/62/99/331786299.db2.gz MNBLDUWBHRTWEP-SFHVURJKSA-N 0 0 319.445 3.574 10 0 in-man DHAERN CCc1nc(C2(NC(=O)/C=C\C3CCCCC3)CCCC2)no1 ZINC000255712423 331792183 /nfs/dbraw/zinc/79/21/83/331792183.db2.gz UCNKZAYNRUAUJP-KHPPLWFESA-N 0 0 317.433 3.654 10 0 DHAERN O=C(NC/C=C\c1ccccc1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000255827991 331805665 /nfs/dbraw/zinc/80/56/65/331805665.db2.gz MEQSFDADCAMOIU-ATEGUMQPSA-N 0 0 313.347 3.898 10 0 DHAERN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000130115956 332022745 /nfs/dbraw/zinc/02/27/45/332022745.db2.gz LHQIBGQLLCYWSJ-BMIGLBTASA-N 0 0 306.768 3.754 10 0 DHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130100546 332022845 /nfs/dbraw/zinc/02/28/45/332022845.db2.gz VMFDFFRSTFRDQY-BLLLJJGKSA-N 0 0 302.805 3.923 10 0 DHAERN CCc1noc(CC)c1CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000086999388 332026937 /nfs/dbraw/zinc/02/69/37/332026937.db2.gz UUXNJDMKBJQBEX-NSHDSACASA-N 0 0 320.820 3.873 10 0 DHAERN CCCOc1ccc(Oc2ncncc2Br)cc1 ZINC000090782919 332031907 /nfs/dbraw/zinc/03/19/07/332031907.db2.gz DKBLXKFBLTZLAT-UHFFFAOYSA-N 0 0 309.163 3.820 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(C)c(O)c2)o1 ZINC000089453694 332069498 /nfs/dbraw/zinc/06/94/98/332069498.db2.gz FNJKUGFVUBFOSS-MRXNPFEDSA-N 0 0 313.397 3.898 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091978904 332098868 /nfs/dbraw/zinc/09/88/68/332098868.db2.gz ZRDHNYREBDJMRO-ZWKOTPCHSA-N 0 0 313.445 3.590 10 0 DHAERN COC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CCC1 ZINC000180869666 332142615 /nfs/dbraw/zinc/14/26/15/332142615.db2.gz JRAGMVPWJDSGAK-DLBZAZTESA-N 0 0 301.430 3.599 10 0 DHAERN CC[C@H](C)[C@@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000180901410 332144691 /nfs/dbraw/zinc/14/46/91/332144691.db2.gz PVSQOXYLYIHNCV-QWHCGFSZSA-N 0 0 307.438 3.761 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C)c(O)c1)[C@H](C)C2 ZINC000181108085 332175629 /nfs/dbraw/zinc/17/56/29/332175629.db2.gz NAGFOUFMBXNKIS-JLTOFOAXSA-N 0 0 309.409 3.601 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CSCC(F)(F)F)[C@H](C)C2 ZINC000181248420 332188214 /nfs/dbraw/zinc/18/82/14/332188214.db2.gz WGFVYJVGLXDREP-QMTHXVAHSA-N 0 0 317.376 3.640 10 0 DHAERN C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)C1CCCCC1 ZINC000151301288 332570677 /nfs/dbraw/zinc/57/06/77/332570677.db2.gz WOTBBUWAJIEIPU-SUMDDJOVSA-N 0 0 307.478 3.747 10 0 DHAERN CCCCNC(=O)Cc1noc(C=C2CCC(C)(C)CC2)n1 ZINC000151484143 332579654 /nfs/dbraw/zinc/57/96/54/332579654.db2.gz UANUZETUFPSINL-UHFFFAOYSA-N 0 0 305.422 3.512 10 0 DHAERN CCOc1ccc2nc(NCc3c(C)nn(C)c3C)sc2c1 ZINC000176785993 332955324 /nfs/dbraw/zinc/95/53/24/332955324.db2.gz FHZWNHZJLVDRBG-UHFFFAOYSA-N 0 0 316.430 3.657 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000171983743 333056871 /nfs/dbraw/zinc/05/68/71/333056871.db2.gz BOSDGKPCQJLSPV-IEBWSBKVSA-N 0 0 322.408 3.543 10 0 DHAERN CC(C)N(C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)C1CC1 ZINC000176380079 333112643 /nfs/dbraw/zinc/11/26/43/333112643.db2.gz KSFBNHVYUBRJDH-CQSZACIVSA-N 0 0 312.417 3.516 10 0 DHAERN CC(C)Oc1ccc([C@H](C)NCc2nnc(C(C)C)n2C)cc1 ZINC000179532386 333152232 /nfs/dbraw/zinc/15/22/32/333152232.db2.gz DQGMUNOJMPGTTL-AWEZNQCLSA-N 0 0 316.449 3.577 10 0 DHAERN Cc1coc2ccc(NC(=O)N[C@@H]3COc4ccccc43)cc12 ZINC000188008619 333156893 /nfs/dbraw/zinc/15/68/93/333156893.db2.gz RIGWPZJVDWWLLJ-OAHLLOKOSA-N 0 0 308.337 3.996 10 0 DHAERN C[C@@H](C(=O)N[C@H]1COc2ccccc21)c1cn(C)c2ccccc12 ZINC000185191092 333205424 /nfs/dbraw/zinc/20/54/24/333205424.db2.gz GQYHOAPTDYZBDG-DYVFJYSZSA-N 0 0 320.392 3.532 10 0 DHAERN Cc1cccc(CCNC(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000109896451 333326938 /nfs/dbraw/zinc/32/69/38/333326938.db2.gz VBGPBETUNGMSMV-LJQANCHMSA-N 0 0 308.425 3.914 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000188267257 333362536 /nfs/dbraw/zinc/36/25/36/333362536.db2.gz GOZQLJRRPYHWHK-AGERRDQYSA-N 0 0 301.430 3.644 10 0 DHAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000188433290 333366376 /nfs/dbraw/zinc/36/63/76/333366376.db2.gz JQOYUQGMRDBDCE-IHRRRGAJSA-N 0 0 300.402 3.623 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1cc(F)c([O-])c(F)c1 ZINC000186981921 333382869 /nfs/dbraw/zinc/38/28/69/333382869.db2.gz CNXJYXJMHDLCKF-HNNXBMFYSA-N 0 0 321.298 3.617 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000063060741 333384160 /nfs/dbraw/zinc/38/41/60/333384160.db2.gz UNRDBBYRXFQOKJ-VXGBXAGGSA-N 0 0 303.299 3.985 10 0 DHAERN Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000063060740 333384317 /nfs/dbraw/zinc/38/43/17/333384317.db2.gz UNRDBBYRXFQOKJ-RYUDHWBXSA-N 0 0 303.299 3.985 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1ccncc1Br ZINC000123440428 333468575 /nfs/dbraw/zinc/46/85/75/333468575.db2.gz UMLJDTYXHZYPEW-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN Cc1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000125682416 333512164 /nfs/dbraw/zinc/51/21/64/333512164.db2.gz JEORJQBKENINKI-QWRGUYRKSA-N 0 0 320.742 3.894 10 0 DHAERN Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000125682787 333513415 /nfs/dbraw/zinc/51/34/15/333513415.db2.gz JEORJQBKENINKI-MNOVXSKESA-N 0 0 320.742 3.894 10 0 DHAERN CC(C)[C@@H](NCc1cc(C(N)=O)co1)c1ccccc1Cl ZINC000187729646 334269749 /nfs/dbraw/zinc/26/97/49/334269749.db2.gz LXMXHSKPNGTGFN-OAHLLOKOSA-N 0 0 306.793 3.519 10 0 DHAERN CC(=O)N(c1nc(CN[C@@H]2C[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000113335656 335324919 /nfs/dbraw/zinc/32/49/19/335324919.db2.gz YAPUZOPMEGDSES-BLLLJJGKSA-N 0 0 315.442 3.634 10 0 DHAERN CC(=O)N(c1nc(CN[C@H]2C[C@@H]2C)cs1)c1ccc(C)cc1 ZINC000113335658 335324972 /nfs/dbraw/zinc/32/49/72/335324972.db2.gz YAPUZOPMEGDSES-LRDDRELGSA-N 0 0 315.442 3.634 10 0 DHAERN O=C(c1ccc(Cl)cc1Br)N1C[C@H]2CCC[C@H]21 ZINC000350154297 335731227 /nfs/dbraw/zinc/73/12/27/335731227.db2.gz LYCAYIXEVTUVIN-PRHODGIISA-N 0 0 314.610 3.727 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000053961823 335848675 /nfs/dbraw/zinc/84/86/75/335848675.db2.gz GOTISHHOZZUVHP-XUJLQICISA-N 0 0 302.418 3.730 10 0 DHAERN CCC(C)(C)CNC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000192328885 336031396 /nfs/dbraw/zinc/03/13/96/336031396.db2.gz WHWKCTFIJLIMLL-GFCCVEGCSA-N 0 0 308.422 3.500 10 0 DHAERN Cc1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cc(C)c1O ZINC000330060487 336110355 /nfs/dbraw/zinc/11/03/55/336110355.db2.gz MTFXEEAYGXRBDN-OXQOHEQNSA-N 0 0 323.392 3.688 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nnc(N(C)C)n1C(C)C ZINC000333029667 336196938 /nfs/dbraw/zinc/19/69/38/336196938.db2.gz HFFBLEUZXCJEOI-UHFFFAOYSA-N 0 0 323.466 3.637 10 0 DHAERN O=C(Nc1cccc2c1CCO2)N[C@@H]1CCCc2c(O)cccc21 ZINC000333041570 336197298 /nfs/dbraw/zinc/19/72/98/336197298.db2.gz ONHLMVOCIADWST-OAHLLOKOSA-N 0 0 324.380 3.526 10 0 DHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000333304883 336201726 /nfs/dbraw/zinc/20/17/26/336201726.db2.gz MXOKTJXRYSROGG-LLVKDONJSA-N 0 0 316.380 3.662 10 0 DHAERN CCCc1csc(NC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)n1 ZINC000333473410 336204385 /nfs/dbraw/zinc/20/43/85/336204385.db2.gz GFMWNYWLDGUDGV-CZUORRHYSA-N 0 0 323.462 3.517 10 0 DHAERN Cc1nn(C)c2nccc(N[C@@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000333719920 336208815 /nfs/dbraw/zinc/20/88/15/336208815.db2.gz ULMQWJOCQLYUEY-OAHLLOKOSA-N 0 0 322.412 3.991 10 0 DHAERN CC[C@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000334126262 336218893 /nfs/dbraw/zinc/21/88/93/336218893.db2.gz PNZKLSIZQOZFBD-HZPDHXFCSA-N 0 0 318.465 3.773 10 0 DHAERN Cc1cc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000103164757 336238098 /nfs/dbraw/zinc/23/80/98/336238098.db2.gz BOOQFZTZSHPRDW-UONOGXRCSA-N 0 0 300.377 3.812 10 0 DHAERN COC[C@H](C)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000103357727 336240136 /nfs/dbraw/zinc/24/01/36/336240136.db2.gz UDPUGXHLEPDQRN-KRWDZBQOSA-N 0 0 311.425 3.540 10 0 DHAERN COC[C@H](C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000103362837 336240257 /nfs/dbraw/zinc/24/02/57/336240257.db2.gz IZWINJIXJAJOFB-JTQLQIEISA-N 0 0 324.833 3.608 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000103382574 336241192 /nfs/dbraw/zinc/24/11/92/336241192.db2.gz FZPCIRPROSPJKE-GFCCVEGCSA-N 0 0 318.442 3.572 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000043066918 336244878 /nfs/dbraw/zinc/24/48/78/336244878.db2.gz QXQJLNAJKSCRGY-AWEZNQCLSA-N 0 0 313.401 3.827 10 0 DHAERN CN(C(=O)N[C@H]1CCOc2ccccc21)C1CCCCCC1 ZINC000043165053 336246571 /nfs/dbraw/zinc/24/65/71/336246571.db2.gz HDMZROCIPMIYRO-INIZCTEOSA-N 0 0 302.418 3.874 10 0 DHAERN Cc1cc(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)n(C)n1 ZINC000043432894 336254362 /nfs/dbraw/zinc/25/43/62/336254362.db2.gz NPDNMMUINDVNJY-ZDUSSCGKSA-N 0 0 308.385 3.764 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 ZINC000167770096 336261620 /nfs/dbraw/zinc/26/16/20/336261620.db2.gz JGEBGLKNPORBNB-KGLIPLIRSA-N 0 0 314.458 3.502 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCCc2ccc(Cl)s2)o1 ZINC000043720588 336271295 /nfs/dbraw/zinc/27/12/95/336271295.db2.gz JXICEXSVHKPQBK-JTQLQIEISA-N 0 0 312.822 3.906 10 0 DHAERN C[C@H]1C[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)CC(C)(C)C1 ZINC000182640315 336277546 /nfs/dbraw/zinc/27/75/46/336277546.db2.gz DQDIIFKHIWDGTQ-UONOGXRCSA-N 0 0 313.445 3.684 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1cccs1 ZINC000031107000 336279142 /nfs/dbraw/zinc/27/91/42/336279142.db2.gz WAKMTKGSLHUWPI-QWRGUYRKSA-N 0 0 318.398 3.598 10 0 DHAERN FC(F)(F)c1ccc(N[C@@H]2CCN(c3ccccc3)C2)nc1 ZINC000301177137 336293419 /nfs/dbraw/zinc/29/34/19/336293419.db2.gz GJPBFGYSDMGESX-CYBMUJFWSA-N 0 0 307.319 3.791 10 0 DHAERN C[C@@H]1[C@H](C)SCCN1c1nc(-c2cccc(Cl)c2)no1 ZINC000301307323 336299948 /nfs/dbraw/zinc/29/99/48/336299948.db2.gz ZTGMDERMTVBZDS-ZJUUUORDSA-N 0 0 309.822 3.720 10 0 DHAERN Fc1ccccc1NC1CCN(c2ncnc3ccccc32)CC1 ZINC000301407483 336304751 /nfs/dbraw/zinc/30/47/51/336304751.db2.gz HUTAHNJMXJKSTD-UHFFFAOYSA-N 0 0 322.387 3.850 10 0 DHAERN C1=CC[C@H]2CN(c3ncnc4sc5c(c43)CCCC5)C[C@@H]2C1 ZINC000301424556 336305765 /nfs/dbraw/zinc/30/57/65/336305765.db2.gz OOIXRGQLGOFBIA-STQMWFEESA-N 0 0 311.454 3.973 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1ncccc1C(=O)N1CCc2ccccc21 ZINC000301457795 336308028 /nfs/dbraw/zinc/30/80/28/336308028.db2.gz SNZIXVSAIPBXIU-NVXWUHKLSA-N 0 0 321.424 3.885 10 0 DHAERN Cc1nc(CNc2ccc(-c3ccc(F)cc3)nn2)sc1C ZINC000301468955 336308689 /nfs/dbraw/zinc/30/86/89/336308689.db2.gz ZRQGMPBAPVYWOZ-UHFFFAOYSA-N 0 0 314.389 3.968 10 0 DHAERN CC(C)(C)c1cn2nc(N3C[C@@H]4CCCC[C@H]4C3)sc2n1 ZINC000301542280 336313579 /nfs/dbraw/zinc/31/35/79/336313579.db2.gz KHGSBGFFIDMCBI-RYUDHWBXSA-N 0 0 304.463 3.715 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000301566434 336315442 /nfs/dbraw/zinc/31/54/42/336315442.db2.gz QBDCQBBXAVTTNQ-HJTOQOCKSA-N 0 0 320.380 3.592 10 0 DHAERN O[C@H]1CCCC[C@H]1Nc1ccc2cccc(Br)c2n1 ZINC000301602450 336317766 /nfs/dbraw/zinc/31/77/66/336317766.db2.gz KCNIOVFJNFHULK-OLZOCXBDSA-N 0 0 321.218 3.713 10 0 DHAERN COc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1C ZINC000301617676 336318522 /nfs/dbraw/zinc/31/85/22/336318522.db2.gz WKILSDDRJDKNGL-UHFFFAOYSA-N 0 0 300.255 3.567 10 0 DHAERN Fc1ccc(-c2ccc(N[C@@H]3CCC[C@H]4OCC[C@H]43)nn2)cc1 ZINC000301629222 336319419 /nfs/dbraw/zinc/31/94/19/336319419.db2.gz BWAQWWDIMBSYQY-USXIJHARSA-N 0 0 313.376 3.652 10 0 DHAERN Clc1cccc(-c2noc(N[C@@H]3CCC[C@@H]4OCC[C@@H]43)n2)c1 ZINC000301682895 336323256 /nfs/dbraw/zinc/32/32/56/336323256.db2.gz VVLUWOPRNWDVRA-MCIONIFRSA-N 0 0 319.792 3.760 10 0 DHAERN CC(C)c1nsc(NCc2cccc(-c3cnn(C)c3)c2)n1 ZINC000301866740 336335112 /nfs/dbraw/zinc/33/51/12/336335112.db2.gz HKORPGRDXCKNKD-UHFFFAOYSA-N 0 0 313.430 3.674 10 0 DHAERN C[C@@H](CNc1cc(Cl)nc(C2CC2)n1)Nc1ccccc1 ZINC000301957638 336339952 /nfs/dbraw/zinc/33/99/52/336339952.db2.gz LHALYLCDQQCNCF-NSHDSACASA-N 0 0 302.809 3.920 10 0 DHAERN COC(=O)c1ccc(F)c(CNc2ccc3ccccc3n2)c1 ZINC000302205053 336353745 /nfs/dbraw/zinc/35/37/45/336353745.db2.gz WRQZAWDIGMQDRT-UHFFFAOYSA-N 0 0 310.328 3.773 10 0 DHAERN C[C@@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)CCC1=O ZINC000302398109 336358130 /nfs/dbraw/zinc/35/81/30/336358130.db2.gz DJRBKCYAUCEQEA-GFCCVEGCSA-N 0 0 323.421 3.774 10 0 DHAERN Cc1ccc(Oc2nc(N(C)C)cc(C(F)(F)F)n2)cc1F ZINC000302827991 336371033 /nfs/dbraw/zinc/37/10/33/336371033.db2.gz BTJQZBFRGVJUCK-UHFFFAOYSA-N 0 0 315.270 3.801 10 0 DHAERN C[C@@H](Nc1ncnc(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873057 336372646 /nfs/dbraw/zinc/37/26/46/336372646.db2.gz CHNCEDDBLAXMBV-ZCFIWIBFSA-N 0 0 301.152 3.678 10 0 DHAERN CN1CC[C@@H](CNc2ncnc3c(F)cccc23)c2ccccc21 ZINC000302919014 336374321 /nfs/dbraw/zinc/37/43/21/336374321.db2.gz YEQXSPYSCVRNOB-ZDUSSCGKSA-N 0 0 322.387 3.805 10 0 DHAERN O=C(c1cccc(Br)c1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000356598029 336555870 /nfs/dbraw/zinc/55/58/70/336555870.db2.gz OXPKEXJGIJRKIF-KWQFWETISA-N 0 0 314.610 3.727 10 0 DHAERN CCCC(O)(CCC)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000119058201 336878374 /nfs/dbraw/zinc/87/83/74/336878374.db2.gz CXPLMJCVZYDDIR-AWEZNQCLSA-N 0 0 324.490 3.918 10 0 DHAERN CCC[C@@]1(COC)CCCN1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000193453405 336933950 /nfs/dbraw/zinc/93/39/50/336933950.db2.gz MAYRQAWQFHHZAJ-PBHICJAKSA-N 0 0 308.422 3.640 10 0 DHAERN Cc1cc(C)c(OC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)c(C)c1 ZINC000023995396 336984781 /nfs/dbraw/zinc/98/47/81/336984781.db2.gz ITDSJQQTCGVLPS-XYPWUTKMSA-N 0 0 300.398 3.913 10 0 DHAERN O=C(N1CCO[C@@H]2CCCC[C@H]21)C1(Cc2ccccc2)CCC1 ZINC000122027544 336990871 /nfs/dbraw/zinc/99/08/71/336990871.db2.gz BFQSVEMNXHAHGO-QZTJIDSGSA-N 0 0 313.441 3.569 10 0 DHAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2Cl)o1 ZINC000025368872 337029432 /nfs/dbraw/zinc/02/94/32/337029432.db2.gz PFTLGJVASKYACD-LLVKDONJSA-N 0 0 313.806 3.589 10 0 DHAERN CCn1c(C)cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000043826552 337077990 /nfs/dbraw/zinc/07/79/90/337077990.db2.gz JYYHSMTUPGRVFR-QWHCGFSZSA-N 0 0 316.367 3.976 10 0 DHAERN COc1cc(Cl)c(C)cc1NC(=O)N1CCS[C@H](C)C1 ZINC000171359510 337086287 /nfs/dbraw/zinc/08/62/87/337086287.db2.gz LMTRQVZKVUTUBJ-SNVBAGLBSA-N 0 0 314.838 3.626 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCS1 ZINC000171382333 337086471 /nfs/dbraw/zinc/08/64/71/337086471.db2.gz BSDBTTRAUABUAB-QMMMGPOBSA-N 0 0 322.327 3.814 10 0 DHAERN O=C(Nc1cccc(C(F)F)c1)N[C@H]1COc2ccccc21 ZINC000171394463 337086544 /nfs/dbraw/zinc/08/65/44/337086544.db2.gz DWKAGZHVPQTXES-ZDUSSCGKSA-N 0 0 304.296 3.879 10 0 DHAERN C[C@H](NCc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000171111434 337086827 /nfs/dbraw/zinc/08/68/27/337086827.db2.gz VFNLTNWJAYAFAT-JTQLQIEISA-N 0 0 303.362 3.788 10 0 DHAERN CCCn1ccc2cc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)ccc21 ZINC000171405893 337087138 /nfs/dbraw/zinc/08/71/38/337087138.db2.gz OHFALVDDLZFTKH-KBPBESRZSA-N 0 0 315.417 3.692 10 0 DHAERN C[C@@H](NC(=O)CC1=CCCCC1)c1ccc2c(c1)OCCO2 ZINC000171756700 337089018 /nfs/dbraw/zinc/08/90/18/337089018.db2.gz YDMNTAHISKYURC-CYBMUJFWSA-N 0 0 301.386 3.526 10 0 DHAERN O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccco1 ZINC000172168269 337090095 /nfs/dbraw/zinc/09/00/95/337090095.db2.gz DNHLLFLKIJZEAP-KRWDZBQOSA-N 0 0 323.396 3.850 10 0 DHAERN Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000171983668 337090583 /nfs/dbraw/zinc/09/05/83/337090583.db2.gz SAAUBVHKTWEBIT-IEBWSBKVSA-N 0 0 322.408 3.543 10 0 DHAERN C[C@@H](NC(=O)c1coc2ccccc12)c1ccc2c(c1)OCCO2 ZINC000172001144 337090737 /nfs/dbraw/zinc/09/07/37/337090737.db2.gz UGJBVQGRCRIXNO-GFCCVEGCSA-N 0 0 323.348 3.695 10 0 DHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ccco3)[nH]n2)o1 ZINC000172295320 337091601 /nfs/dbraw/zinc/09/16/01/337091601.db2.gz MVLAIQUNMAMTLL-CQSZACIVSA-N 0 0 311.341 3.548 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593867 337130173 /nfs/dbraw/zinc/13/01/73/337130173.db2.gz WBKABYIAQNPMNM-OLZOCXBDSA-N 0 0 320.820 3.597 10 0 DHAERN Cc1ccc2cccc(C(=O)N[C@@H]3CCOc4ccccc43)c2n1 ZINC000172708070 337130512 /nfs/dbraw/zinc/13/05/12/337130512.db2.gz KEBQTVIGTPEXNJ-QGZVFWFLSA-N 0 0 318.376 3.797 10 0 DHAERN Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c(C)n1 ZINC000173380648 337135040 /nfs/dbraw/zinc/13/50/40/337135040.db2.gz XXWYDMFHGYQULF-AWEZNQCLSA-N 0 0 301.415 3.522 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000173429063 337135189 /nfs/dbraw/zinc/13/51/89/337135189.db2.gz PSLNTQVGVXQOQH-CYBMUJFWSA-N 0 0 304.390 3.610 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 ZINC000173426194 337135226 /nfs/dbraw/zinc/13/52/26/337135226.db2.gz FRZVNXDRVFAZOM-NSHDSACASA-N 0 0 322.380 3.750 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCC2CCOCC2)o1 ZINC000173489987 337135616 /nfs/dbraw/zinc/13/56/16/337135616.db2.gz SBANPIIOORFJIA-INIZCTEOSA-N 0 0 320.433 3.505 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2Cc2ccccc2N(C)C)no1 ZINC000173601688 337136699 /nfs/dbraw/zinc/13/66/99/337136699.db2.gz LIUMNLAYYAAMFZ-MRXNPFEDSA-N 0 0 314.433 3.596 10 0 DHAERN Cc1ccsc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173943260 337137686 /nfs/dbraw/zinc/13/76/86/337137686.db2.gz IXDBFHZEEWJARP-CYBMUJFWSA-N 0 0 311.410 3.733 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC000173956190 337137820 /nfs/dbraw/zinc/13/78/20/337137820.db2.gz LIWUCJAHULTCRM-CYBMUJFWSA-N 0 0 303.431 3.614 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)c3cc[nH]c3)C2)n1 ZINC000173956204 337137922 /nfs/dbraw/zinc/13/79/22/337137922.db2.gz LIWUCJAHULTCRM-ZDUSSCGKSA-N 0 0 303.431 3.614 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000173852422 337138585 /nfs/dbraw/zinc/13/85/85/337138585.db2.gz BFPNBORDDCOJGE-HNNXBMFYSA-N 0 0 305.466 3.733 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)NCCCCC2CCCC2)cn1 ZINC000174203984 337139802 /nfs/dbraw/zinc/13/98/02/337139802.db2.gz TZJVRRMLJWTHFU-KRWDZBQOSA-N 0 0 318.465 3.627 10 0 DHAERN CCc1nc(NC(=O)N2CCC[C@H]2c2ccco2)sc1C ZINC000174354349 337141037 /nfs/dbraw/zinc/14/10/37/337141037.db2.gz CARYWLVRJIIFGP-LBPRGKRZSA-N 0 0 305.403 3.976 10 0 DHAERN C[C@H]1CCC[C@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000174993879 337143980 /nfs/dbraw/zinc/14/39/80/337143980.db2.gz UBAXIHFJBOGPMH-JSGCOSHPSA-N 0 0 317.433 3.659 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)CCCC(C)C ZINC000175510641 337147750 /nfs/dbraw/zinc/14/77/50/337147750.db2.gz OXKQJKWEKRDSTN-NVXWUHKLSA-N 0 0 320.481 3.580 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176420639 337151269 /nfs/dbraw/zinc/15/12/69/337151269.db2.gz RRSGYEPCPVGUNY-SJORKVTESA-N 0 0 320.481 3.724 10 0 DHAERN COc1csc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000176493853 337151521 /nfs/dbraw/zinc/15/15/21/337151521.db2.gz RVAYJGJBEIQKPB-IUCAKERBSA-N 0 0 307.337 3.608 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000176264756 337151666 /nfs/dbraw/zinc/15/16/66/337151666.db2.gz HHZIYVZFIDQFQF-HOCLYGCPSA-N 0 0 320.481 3.580 10 0 DHAERN CCCCCN(CCCCC)C(=O)N[C@H]1CCCn2ncnc21 ZINC000176595716 337152140 /nfs/dbraw/zinc/15/21/40/337152140.db2.gz INNGEKIFZOHCNO-HNNXBMFYSA-N 0 0 321.469 3.505 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176683230 337152665 /nfs/dbraw/zinc/15/26/65/337152665.db2.gz BVFDBNAYCDMCOI-AWEZNQCLSA-N 0 0 306.475 3.992 10 0 DHAERN c1nc2n(n1)CCC[C@@H]2N[C@H](Cc1ccccc1)c1ccccc1 ZINC000176683965 337152670 /nfs/dbraw/zinc/15/26/70/337152670.db2.gz KUBXCNBNMLVLIZ-RBUKOAKNSA-N 0 0 318.424 3.687 10 0 DHAERN C[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(Cl)s1 ZINC000176679694 337152705 /nfs/dbraw/zinc/15/27/05/337152705.db2.gz AOCRDSXGFYPTCA-JTQLQIEISA-N 0 0 323.849 3.634 10 0 DHAERN CC[C@@H](SCc1nnnn1C(C)C)c1ccc(F)cc1F ZINC000176904216 337153705 /nfs/dbraw/zinc/15/37/05/337153705.db2.gz OQXGHHHITWDVPO-CYBMUJFWSA-N 0 0 312.389 3.917 10 0 DHAERN CSCC(=O)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000177961272 337159329 /nfs/dbraw/zinc/15/93/29/337159329.db2.gz MCMGUWCVTHBVAG-KWQFWETISA-N 0 0 304.242 3.576 10 0 DHAERN CN(Cc1ccc([S@@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409058 337164512 /nfs/dbraw/zinc/16/45/12/337164512.db2.gz JUDXRVILINPKAU-HSZRJFAPSA-N 0 0 324.449 3.604 10 0 DHAERN Cc1cnc([C@H](C)NCc2sccc2Br)o1 ZINC000220929748 337167111 /nfs/dbraw/zinc/16/71/11/337167111.db2.gz RNCMAAJIVSSCAT-QMMMGPOBSA-N 0 0 301.209 3.658 10 0 DHAERN Cc1cnc([C@@H](C)NCc2sccc2Br)o1 ZINC000220929690 337167157 /nfs/dbraw/zinc/16/71/57/337167157.db2.gz RNCMAAJIVSSCAT-MRVPVSSYSA-N 0 0 301.209 3.658 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000178886140 337167324 /nfs/dbraw/zinc/16/73/24/337167324.db2.gz MQVQCRVLQVXDPT-HZPDHXFCSA-N 0 0 317.477 3.825 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180116938 337171516 /nfs/dbraw/zinc/17/15/16/337171516.db2.gz PIWYIGMWXUOETO-RISCZKNCSA-N 0 0 308.491 3.881 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000180087799 337173663 /nfs/dbraw/zinc/17/36/63/337173663.db2.gz PYZKMMYZXKNMBJ-YQQAZPJKSA-N 0 0 317.477 3.681 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180545066 337176302 /nfs/dbraw/zinc/17/63/02/337176302.db2.gz INMPSSXRGHBEMZ-GXTWGEPZSA-N 0 0 308.491 3.915 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)C1 ZINC000180640496 337176811 /nfs/dbraw/zinc/17/68/11/337176811.db2.gz ZIMZAASNIUPJDS-QWRGUYRKSA-N 0 0 317.355 3.846 10 0 DHAERN CCc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180648212 337176883 /nfs/dbraw/zinc/17/68/83/337176883.db2.gz IMKSGTUWMXRGJX-STQMWFEESA-N 0 0 318.490 3.691 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)c1 ZINC000180767896 337177702 /nfs/dbraw/zinc/17/77/02/337177702.db2.gz VJYFGMAJWJFMBX-MRXNPFEDSA-N 0 0 303.450 3.716 10 0 DHAERN CC[C@@H](C)[C@@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000180894151 337178410 /nfs/dbraw/zinc/17/84/10/337178410.db2.gz SAGJQOYWIKFTEZ-VXGBXAGGSA-N 0 0 305.422 3.515 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000181863822 337185000 /nfs/dbraw/zinc/18/50/00/337185000.db2.gz CUNJCUFSVUPVGD-CHWSQXEVSA-N 0 0 324.387 3.612 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000182975160 337190937 /nfs/dbraw/zinc/19/09/37/337190937.db2.gz UXOQECOENUCJEJ-OAHLLOKOSA-N 0 0 319.401 3.841 10 0 DHAERN CCc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000183348149 337191419 /nfs/dbraw/zinc/19/14/19/337191419.db2.gz TXNODMBRKJZFKK-MRXNPFEDSA-N 0 0 316.380 3.870 10 0 DHAERN CCc1csc([C@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184668285 337199743 /nfs/dbraw/zinc/19/97/43/337199743.db2.gz TYKABSDWYFIXGU-ZFWWWQNUSA-N 0 0 308.491 3.843 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2cccc(Br)c2C)o1 ZINC000226613666 337199938 /nfs/dbraw/zinc/19/99/38/337199938.db2.gz ODDLXZGTKJPDSU-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000185392758 337204554 /nfs/dbraw/zinc/20/45/54/337204554.db2.gz GIVPUPCQAQYCHI-RUMSDORHSA-N 0 0 303.450 3.693 10 0 DHAERN Cc1nnc([C@@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)[nH]1 ZINC000392356148 337205065 /nfs/dbraw/zinc/20/50/65/337205065.db2.gz SVLVBHJPQDBXPF-RNFRBKRXSA-N 0 0 317.195 3.971 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(C)C)C2)n1 ZINC000185410639 337205320 /nfs/dbraw/zinc/20/53/20/337205320.db2.gz RQKVYPMDHJWWOT-YUELXQCFSA-N 0 0 306.475 3.704 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC2(CC2)C1 ZINC000185509590 337248612 /nfs/dbraw/zinc/24/86/12/337248612.db2.gz JBBXPAROMQKIEB-VXGBXAGGSA-N 0 0 304.356 3.693 10 0 DHAERN COC1(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)CCCCC1 ZINC000185548072 337248890 /nfs/dbraw/zinc/24/88/90/337248890.db2.gz WAJOFTWAFJAYKX-CQSZACIVSA-N 0 0 322.474 3.507 10 0 DHAERN C[C@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CCS1 ZINC000186203176 337254701 /nfs/dbraw/zinc/25/47/01/337254701.db2.gz MMNKIRVJEXORAR-ZDUSSCGKSA-N 0 0 307.434 3.502 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1Cl ZINC000186269745 337255525 /nfs/dbraw/zinc/25/55/25/337255525.db2.gz AVYNRNWFTUYYLQ-JRKPZEMJSA-N 0 0 302.201 3.738 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@@]3(C)C(C)C)C2)n1 ZINC000186553129 337257645 /nfs/dbraw/zinc/25/76/45/337257645.db2.gz FFMBGKXXYRQJOA-CPUCHLNUSA-N 0 0 306.475 3.840 10 0 DHAERN CC(C)[C@@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000186563328 337257664 /nfs/dbraw/zinc/25/76/64/337257664.db2.gz FWNBQWVILNBECV-POZUXBRTSA-N 0 0 311.429 3.732 10 0 DHAERN Cc1cc(C)c(NC(=O)[C@H]2CC[C@@H](C)O2)cc1Br ZINC000187592704 337267223 /nfs/dbraw/zinc/26/72/23/337267223.db2.gz QASLHTHAAJGTTP-ZWNOBZJWSA-N 0 0 312.207 3.572 10 0 DHAERN Cc1nccnc1[C@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000187947160 337268929 /nfs/dbraw/zinc/26/89/29/337268929.db2.gz XRETXCMUBBLLES-HNAYVOBHSA-N 0 0 304.397 3.620 10 0 DHAERN Cc1nccnc1[C@@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000187947079 337268973 /nfs/dbraw/zinc/26/89/73/337268973.db2.gz XRETXCMUBBLLES-BEFAXECRSA-N 0 0 304.397 3.620 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000188347773 337271996 /nfs/dbraw/zinc/27/19/96/337271996.db2.gz FNRCNQNTHUXGEQ-KSSFIOAISA-N 0 0 320.481 3.788 10 0 DHAERN CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1C ZINC000188512398 337273879 /nfs/dbraw/zinc/27/38/79/337273879.db2.gz GUVREOSGFFYEFG-MRXNPFEDSA-N 0 0 312.369 3.524 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cn3ccnc3s2)o1 ZINC000188552544 337273936 /nfs/dbraw/zinc/27/39/36/337273936.db2.gz ALCASFCXJJIYPG-LBPRGKRZSA-N 0 0 315.398 3.665 10 0 DHAERN COCCc1ccccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000189486593 337279550 /nfs/dbraw/zinc/27/95/50/337279550.db2.gz OZNKDNNHNMUQFC-INIZCTEOSA-N 0 0 314.385 3.838 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190423772 337287719 /nfs/dbraw/zinc/28/77/19/337287719.db2.gz ZCUSWNOBNXFFDZ-SCZZXKLOSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000190557990 337288936 /nfs/dbraw/zinc/28/89/36/337288936.db2.gz TZWQNZNAPIEQHF-CMPLNLGQSA-N 0 0 316.228 3.767 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000191879348 337300711 /nfs/dbraw/zinc/30/07/11/337300711.db2.gz JNMBLUPKBBQZQC-CQSZACIVSA-N 0 0 322.474 3.553 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(CCC(F)(F)F)Cc2ccccc2)O1 ZINC000191944490 337301355 /nfs/dbraw/zinc/30/13/55/337301355.db2.gz VLHOFRQRNSLQDD-GXTWGEPZSA-N 0 0 315.335 3.535 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCSc2ccc(Cl)cc21 ZINC000191868063 337301699 /nfs/dbraw/zinc/30/16/99/337301699.db2.gz DJTUNWYPLWWCCX-CMPLNLGQSA-N 0 0 311.834 3.594 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCSc2ccc(Cl)cc21 ZINC000191868087 337301780 /nfs/dbraw/zinc/30/17/80/337301780.db2.gz DJTUNWYPLWWCCX-JQWIXIFHSA-N 0 0 311.834 3.594 10 0 DHAERN CCOC(=O)[C@@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000192944747 337308606 /nfs/dbraw/zinc/30/86/06/337308606.db2.gz USGFWFRBZHZXPF-LRDDRELGSA-N 0 0 318.804 3.690 10 0 DHAERN Cc1cc(NC(=O)[C@H]2CC[C@H](C)O2)cc(C)c1Br ZINC000235650752 337326680 /nfs/dbraw/zinc/32/66/80/337326680.db2.gz KRFZEOJSEGLSSR-CMPLNLGQSA-N 0 0 312.207 3.572 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(/Br)c1ccsc1 ZINC000584610290 337372024 /nfs/dbraw/zinc/37/20/24/337372024.db2.gz XXNFRSIPLABZOB-VMPITWQZSA-N 0 0 311.147 3.682 10 0 DHAERN CN(C)c1cc(-c2ccc(-n3ccc4ccncc43)nc2)ccn1 ZINC000584613153 337372507 /nfs/dbraw/zinc/37/25/07/337372507.db2.gz HAYADRDDHFNZOR-UHFFFAOYSA-N 0 0 315.380 3.549 10 0 DHAERN CCOC(=O)C1=C(Cc2ccc(OC)c(OC)c2)CCCC1 ZINC000584616672 337372889 /nfs/dbraw/zinc/37/28/89/337372889.db2.gz VXAHZRNUBRHWBB-UHFFFAOYSA-N 0 0 304.386 3.680 10 0 DHAERN CC(=O)Oc1ccc(C[C@@H]2CCc3cc(OC(C)=O)ccc32)cc1 ZINC000584618116 337373184 /nfs/dbraw/zinc/37/31/84/337373184.db2.gz BRYRBQPWWWADQN-INIZCTEOSA-N 0 0 324.376 3.810 10 0 DHAERN CCOC(=O)[C@@H](c1ccc(C)cc1)P(=O)(OCC)OCC ZINC000584595529 337374089 /nfs/dbraw/zinc/37/40/89/337374089.db2.gz DPLHZJODZRIRIA-CQSZACIVSA-N 0 0 314.318 3.865 10 0 DHAERN CCOc1cc2c(c3ccccc13)O[C@H]1CCCC[C@]1(O)O2 ZINC000584596797 337374361 /nfs/dbraw/zinc/37/43/61/337374361.db2.gz FCDIQTPCNROHJK-WMZOPIPTSA-N 0 0 300.354 3.641 10 0 DHAERN COC(=O)c1ccc(Nc2ccc(Br)cc2)cc1 ZINC000584598475 337374623 /nfs/dbraw/zinc/37/46/23/337374623.db2.gz ZTOYQKBICYFUBR-UHFFFAOYSA-N 0 0 306.159 3.979 10 0 DHAERN Cc1c(C)c(Br)c2[nH]cnc2c1Br ZINC000584635698 337375740 /nfs/dbraw/zinc/37/57/40/337375740.db2.gz BHFUTZWLZWYAEJ-UHFFFAOYSA-N 0 0 303.985 3.705 10 0 DHAERN O[C@@](c1ccc[nH]1)(c1ccc(Br)cc1)C(F)(F)F ZINC000584662045 337378367 /nfs/dbraw/zinc/37/83/67/337378367.db2.gz SKOGXOGXDYIBPH-LLVKDONJSA-N 0 0 320.108 3.575 10 0 DHAERN CCCSc1sc(C(N)=O)c2c1-c1sncc1CC2 ZINC000584648635 337380434 /nfs/dbraw/zinc/38/04/34/337380434.db2.gz NHTDSZPQPHRWRU-UHFFFAOYSA-N 0 0 310.469 3.571 10 0 DHAERN O=C(c1ccoc1Br)N1CCC[C@@H]1c1ccco1 ZINC000193591110 337385224 /nfs/dbraw/zinc/38/52/24/337385224.db2.gz VSCONKAFTLUVRN-SNVBAGLBSA-N 0 0 310.147 3.612 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C)ccc1C ZINC000105846668 337386823 /nfs/dbraw/zinc/38/68/23/337386823.db2.gz LEGPMDBMKZBFMR-QGZVFWFLSA-N 0 0 311.429 3.631 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000105846415 337386848 /nfs/dbraw/zinc/38/68/48/337386848.db2.gz IBBMKCDNVSYQLU-OAHLLOKOSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC000105847362 337386885 /nfs/dbraw/zinc/38/68/85/337386885.db2.gz YRGILQYIJFOGGP-MRXNPFEDSA-N 0 0 303.450 3.671 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)cc(C)c1 ZINC000105846682 337386915 /nfs/dbraw/zinc/38/69/15/337386915.db2.gz YXYQYFQGEDFJJK-KRWDZBQOSA-N 0 0 311.429 3.631 10 0 DHAERN CC(C)Cc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cs1 ZINC000116041462 337392249 /nfs/dbraw/zinc/39/22/49/337392249.db2.gz WYGQVQIYCCPARI-CYBMUJFWSA-N 0 0 304.415 3.912 10 0 DHAERN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@@H]1c1ccco1 ZINC000116043315 337392253 /nfs/dbraw/zinc/39/22/53/337392253.db2.gz ORNKXPZRHQIZBR-QGZVFWFLSA-N 0 0 321.380 3.502 10 0 DHAERN CCOc1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116048525 337392282 /nfs/dbraw/zinc/39/22/82/337392282.db2.gz OCZDVXZRTQIERK-QGZVFWFLSA-N 0 0 313.397 3.975 10 0 DHAERN CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116111357 337392366 /nfs/dbraw/zinc/39/23/66/337392366.db2.gz SHVUYIUNFOYDFL-DLBZAZTESA-N 0 0 317.477 3.733 10 0 DHAERN COCc1ccccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116484539 337392670 /nfs/dbraw/zinc/39/26/70/337392670.db2.gz JRHUXHCSLOZTBB-HNNXBMFYSA-N 0 0 300.358 3.795 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000124179972 337404128 /nfs/dbraw/zinc/40/41/28/337404128.db2.gz BNZSEUMXGRZWCO-GJZGRUSLSA-N 0 0 306.475 3.669 10 0 DHAERN C[C@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccncc1 ZINC000043185967 337409950 /nfs/dbraw/zinc/40/99/50/337409950.db2.gz PNBFIIODSMIDAY-KBXCAEBGSA-N 0 0 321.380 3.824 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC000126739626 337417687 /nfs/dbraw/zinc/41/76/87/337417687.db2.gz QHGLNWAGZYPFJE-INIZCTEOSA-N 0 0 303.450 3.543 10 0 DHAERN O=C(NCc1nc(C2CC2)cs1)[C@H]1C[C@H]1C1CCCCC1 ZINC000126859120 337418049 /nfs/dbraw/zinc/41/80/49/337418049.db2.gz SWWSLCJCZPLSEZ-KBPBESRZSA-N 0 0 304.459 3.853 10 0 DHAERN C[C@@H](NC(=O)N1CC=C(c2ccccc2)CC1)c1ccccn1 ZINC000045560517 337421033 /nfs/dbraw/zinc/42/10/33/337421033.db2.gz UEOARCWXUZRGGY-OAHLLOKOSA-N 0 0 307.397 3.642 10 0 DHAERN Cc1cc(F)ccc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000127830211 337422726 /nfs/dbraw/zinc/42/27/26/337422726.db2.gz OASODCHDIFDPNL-OAHLLOKOSA-N 0 0 303.381 3.978 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)o1 ZINC000129225595 337428765 /nfs/dbraw/zinc/42/87/65/337428765.db2.gz DTFILBOVOPZVFZ-OAHLLOKOSA-N 0 0 315.417 3.907 10 0 DHAERN O=C(NCc1ccccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000047616758 337430696 /nfs/dbraw/zinc/43/06/96/337430696.db2.gz GNAVCJLNYJMKLL-OAHLLOKOSA-N 0 0 316.788 3.663 10 0 DHAERN C[C@@H](NC(=O)N[C@H](C)c1ccc(F)c(Cl)c1)c1cccnc1 ZINC000056941984 337457478 /nfs/dbraw/zinc/45/74/78/337457478.db2.gz GSBPURKVBHOHPD-GHMZBOCLSA-N 0 0 321.783 3.996 10 0 DHAERN Cc1ccnc(N[C@H]2COc3ccccc32)c1Br ZINC000236002485 337461407 /nfs/dbraw/zinc/46/14/07/337461407.db2.gz XGJFTOJCCXRTPE-NSHDSACASA-N 0 0 305.175 3.698 10 0 DHAERN CCc1nc2cc(NC(=O)N[C@H]3COc4ccccc43)ccc2o1 ZINC000195196528 337465557 /nfs/dbraw/zinc/46/55/57/337465557.db2.gz DJQRAPUAOGJDIW-AWEZNQCLSA-N 0 0 323.352 3.645 10 0 DHAERN Cc1cccc(NC(=O)CN2CCCC[C@@H]2c2nccs2)c1 ZINC000195368182 337466121 /nfs/dbraw/zinc/46/61/21/337466121.db2.gz FJDYRISCMMCHNA-OAHLLOKOSA-N 0 0 315.442 3.617 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1C[C@@H](C)c2c1cccc2C ZINC000245503988 337473103 /nfs/dbraw/zinc/47/31/03/337473103.db2.gz JIDWUDBFGUALDB-KBMXLJTQSA-N 0 0 310.445 3.822 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)O1 ZINC000245964924 337500290 /nfs/dbraw/zinc/50/02/90/337500290.db2.gz DNUGDDPYCFYLPD-FSPWUOQZSA-N 0 0 313.372 3.599 10 0 DHAERN C[C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(Cl)s1 ZINC000246435507 337547748 /nfs/dbraw/zinc/54/77/48/337547748.db2.gz TZUVZSDDAAHMPJ-QJPTWQEYSA-N 0 0 313.850 3.675 10 0 DHAERN O=C(N[C@@H]1CC=CCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000074333424 337551770 /nfs/dbraw/zinc/55/17/70/337551770.db2.gz MCPDZWADNGUIRR-CQSZACIVSA-N 0 0 317.408 3.520 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000247562252 337560468 /nfs/dbraw/zinc/56/04/68/337560468.db2.gz ZRIISQOFOXCHGG-BBWFWOEESA-N 0 0 301.434 3.680 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC(C)(C)C1 ZINC000248526860 337564382 /nfs/dbraw/zinc/56/43/82/337564382.db2.gz CYVSXXFOONEKNL-NCOADZHNSA-N 0 0 317.477 3.755 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000248535275 337564389 /nfs/dbraw/zinc/56/43/89/337564389.db2.gz GLJCZODCCCJBKV-LZWOXQAQSA-N 0 0 317.429 3.610 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000248580411 337565840 /nfs/dbraw/zinc/56/58/40/337565840.db2.gz PYZKMMYZXKNMBJ-HZMVEIRTSA-N 0 0 317.477 3.681 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)o1 ZINC000249589314 337570780 /nfs/dbraw/zinc/57/07/80/337570780.db2.gz OVNNVEOIMRQPAB-DZQJYWQESA-N 0 0 306.450 3.568 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000076986217 337575455 /nfs/dbraw/zinc/57/54/55/337575455.db2.gz YEUDBLIMZPQJRI-DLBZAZTESA-N 0 0 319.364 3.787 10 0 DHAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000251644998 337583600 /nfs/dbraw/zinc/58/36/00/337583600.db2.gz ILHYZUULLSNPFD-HDMKZQKVSA-N 0 0 318.461 3.673 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000252734827 337591523 /nfs/dbraw/zinc/59/15/23/337591523.db2.gz DWKWYRGHPSIQKL-BBWFWOEESA-N 0 0 315.461 3.906 10 0 DHAERN C[C@H](NC(=O)[C@H](C)Sc1ccccc1O)c1ccccc1 ZINC000161732372 337596128 /nfs/dbraw/zinc/59/61/28/337596128.db2.gz QUBVAVYEIRJFFN-STQMWFEESA-N 0 0 301.411 3.750 10 0 DHAERN Cc1ccc(NC(=O)[C@H](C)N2CCCc3c(N)cccc32)c(C)c1 ZINC000261749367 337609800 /nfs/dbraw/zinc/60/98/00/337609800.db2.gz JMXBFNLQFDBPGC-HNNXBMFYSA-N 0 0 323.440 3.665 10 0 DHAERN Nc1cccc2c1CCCN2Cc1cccc(OC(F)F)c1 ZINC000261915270 337612458 /nfs/dbraw/zinc/61/24/58/337612458.db2.gz ZDKMLIWVYHPKLO-UHFFFAOYSA-N 0 0 304.340 3.823 10 0 DHAERN COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000263382953 337627246 /nfs/dbraw/zinc/62/72/46/337627246.db2.gz CEAHYWPHKPVBCR-GOSISDBHSA-N 0 0 311.381 3.561 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000263424307 337628620 /nfs/dbraw/zinc/62/86/20/337628620.db2.gz PYCRDKKMNAAZMF-KGLIPLIRSA-N 0 0 315.335 3.843 10 0 DHAERN CCCCCC[C@H](CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081579370 337725940 /nfs/dbraw/zinc/72/59/40/337725940.db2.gz WTQCRRGHOHSKGQ-LSDHHAIUSA-N 0 0 306.454 3.534 10 0 DHAERN CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081579450 337725994 /nfs/dbraw/zinc/72/59/94/337725994.db2.gz 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/nfs/dbraw/zinc/28/85/37/338288537.db2.gz QUOOLOGKJONRAT-UHFFFAOYSA-N 0 0 307.191 3.773 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2Br)O1 ZINC000155710099 338303799 /nfs/dbraw/zinc/30/37/99/338303799.db2.gz CAJJEYDIXZJGRU-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN CO[C@@H](C)C(=O)Nc1cccc(N[C@@H](C)c2cccc(O)c2)c1 ZINC000194946274 338784411 /nfs/dbraw/zinc/78/44/11/338784411.db2.gz MYFOEGLOEDVBSU-STQMWFEESA-N 0 0 314.385 3.539 10 0 DHAERN C[C@H](c1ccccn1)N(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000195377746 338898304 /nfs/dbraw/zinc/89/83/04/338898304.db2.gz GZSLTHPOPHEOBY-XKMJEZSVSA-N 0 0 313.445 3.609 10 0 DHAERN Fc1ccc(Br)c(F)c1CN1C[C@H]2CCC[C@H]21 ZINC000500984308 340071580 /nfs/dbraw/zinc/07/15/80/340071580.db2.gz NOKUAVVDSTWWSM-PRHODGIISA-N 0 0 302.162 3.712 10 0 DHAERN COc1ccc(C)cc1[C@H](C)NC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000504223237 340143301 /nfs/dbraw/zinc/14/33/01/340143301.db2.gz NPKCOIBTHGLXEO-KFWWJZLASA-N 0 0 304.434 3.752 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)CCCC1CCCC1)C2 ZINC000173374142 340363690 /nfs/dbraw/zinc/36/36/90/340363690.db2.gz RAKRLRWEDULLQT-UHFFFAOYSA-N 0 0 317.477 3.789 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000174006686 340379966 /nfs/dbraw/zinc/37/99/66/340379966.db2.gz XRPDLKIKMIMXFP-OAHLLOKOSA-N 0 0 301.430 3.982 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1c(F)cccc1F ZINC000174372334 340386885 /nfs/dbraw/zinc/38/68/85/340386885.db2.gz JVKYOTSMJNCDAA-LBPRGKRZSA-N 0 0 320.339 3.692 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H](C)COCc2ccccc2)c(F)c1 ZINC000174436614 340388417 /nfs/dbraw/zinc/38/84/17/340388417.db2.gz WCZWORQKSYKYKP-AWEZNQCLSA-N 0 0 316.376 3.861 10 0 DHAERN CC[C@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000174533173 340391198 /nfs/dbraw/zinc/39/11/98/340391198.db2.gz QROKFGPCHJPNLG-PWSUYJOCSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@@H](NC(=O)NC[C@H](C)Oc1ccccc1F)c1cccs1 ZINC000174820145 340396707 /nfs/dbraw/zinc/39/67/07/340396707.db2.gz FVHGLGGAXHGFAQ-NWDGAFQWSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1cccc(F)c1 ZINC000174822226 340396773 /nfs/dbraw/zinc/39/67/73/340396773.db2.gz IRZKQAJPAOCFFX-NEPJUHHUSA-N 0 0 322.405 3.715 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCCO2)c1C ZINC000174946317 340399911 /nfs/dbraw/zinc/39/99/11/340399911.db2.gz RPUBFUBPOCCDPH-NJAFHUGGSA-N 0 0 316.445 3.717 10 0 DHAERN COc1cccc(F)c1[C@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000175336380 340409519 /nfs/dbraw/zinc/40/95/19/340409519.db2.gz XMJDTWQRYGJBMN-NEPJUHHUSA-N 0 0 320.364 3.857 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2cccs2)C12CCC2 ZINC000177833222 340444065 /nfs/dbraw/zinc/44/40/65/340444065.db2.gz XOFGMIKQGWZTBV-NWANDNLSSA-N 0 0 322.474 3.798 10 0 DHAERN CCCOc1cccc(CC(=O)N[C@H](C)c2cccs2)c1 ZINC000178280306 340448211 /nfs/dbraw/zinc/44/82/11/340448211.db2.gz LLCRQMJFTBWMLI-CYBMUJFWSA-N 0 0 303.427 3.957 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CSCc2ccncc2)cc1F ZINC000088233778 340459614 /nfs/dbraw/zinc/45/96/14/340459614.db2.gz YZWJXMNBJPDVCF-ZDUSSCGKSA-N 0 0 318.417 3.640 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1 ZINC000186424173 340512452 /nfs/dbraw/zinc/51/24/52/340512452.db2.gz BREBNTJQGJCXAZ-QWHCGFSZSA-N 0 0 313.401 3.605 10 0 DHAERN C[C@@H]1CN(C(=O)CCCCCc2ccc(F)cc2)C[C@@H](C)O1 ZINC000188924583 340523484 /nfs/dbraw/zinc/52/34/84/340523484.db2.gz ULXAZDWLERUJGS-HUUCEWRRSA-N 0 0 307.409 3.564 10 0 DHAERN COc1ccc([C@H](C)C(=O)N(C)CC2(c3ccccc3)CC2)cc1 ZINC000189224144 340530579 /nfs/dbraw/zinc/53/05/79/340530579.db2.gz FKYUVMBMOUYKAD-INIZCTEOSA-N 0 0 323.436 3.989 10 0 DHAERN COc1cc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000189430729 340535960 /nfs/dbraw/zinc/53/59/60/340535960.db2.gz NYHDFKWVIHDDKY-RYUDHWBXSA-N 0 0 321.298 3.855 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000190753418 340546854 /nfs/dbraw/zinc/54/68/54/340546854.db2.gz NTDITQSHNNMBSW-WOPDTQHZSA-N 0 0 324.412 3.645 10 0 DHAERN CCc1cccc(C)c1NC(=O)CN[C@@H](C)c1ccc(C)o1 ZINC000193639098 340580744 /nfs/dbraw/zinc/58/07/44/340580744.db2.gz AHFGTAPTMKBBRP-AWEZNQCLSA-N 0 0 300.402 3.748 10 0 DHAERN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1)C1CCCCC1 ZINC000194021975 340588141 /nfs/dbraw/zinc/58/81/41/340588141.db2.gz GNHPZSUNCAUPRT-GJZGRUSLSA-N 0 0 306.450 3.808 10 0 DHAERN C[C@@H](NC(=O)NCCCOC(F)F)c1ccc2ccccc2c1 ZINC000194345219 340591441 /nfs/dbraw/zinc/59/14/41/340591441.db2.gz RDZVELRHYSJBKO-GFCCVEGCSA-N 0 0 322.355 3.829 10 0 DHAERN CN(CCC(F)(F)F)c1ncc(Br)cc1Cl ZINC000234268226 340651823 /nfs/dbraw/zinc/65/18/23/340651823.db2.gz VUAPWQQFDQBJTR-UHFFFAOYSA-N 0 0 317.536 3.886 10 0 DHAERN O=C(CCCc1ccc(Cl)cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041109672 340709545 /nfs/dbraw/zinc/70/95/45/340709545.db2.gz QWIKYENFLYXVEC-DLBZAZTESA-N 0 0 321.848 3.833 10 0 DHAERN COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000128259196 340862941 /nfs/dbraw/zinc/86/29/41/340862941.db2.gz WXXOABZTMQURDJ-OAHLLOKOSA-N 0 0 323.314 3.599 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)NCCCC(C)(C)CO)c2ccccc21 ZINC000128279754 340865033 /nfs/dbraw/zinc/86/50/33/340865033.db2.gz GHTXNKBYGZMOGQ-PBHICJAKSA-N 0 0 318.461 3.723 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000128333143 340875198 /nfs/dbraw/zinc/87/51/98/340875198.db2.gz ATMJWGCFCRUBJE-MPGHIAIKSA-N 0 0 316.445 3.880 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000128333832 340875220 /nfs/dbraw/zinc/87/52/20/340875220.db2.gz ATMJWGCFCRUBJE-HDMKZQKVSA-N 0 0 316.445 3.880 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(O)cc2O)o1 ZINC000128530604 340893941 /nfs/dbraw/zinc/89/39/41/340893941.db2.gz QBNCMWDBKONDCA-HNNXBMFYSA-N 0 0 315.369 3.621 10 0 DHAERN Cc1occc1CN(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000129720822 340984435 /nfs/dbraw/zinc/98/44/35/340984435.db2.gz ZUHQJVAHQYWBOY-QGZVFWFLSA-N 0 0 316.376 3.946 10 0 DHAERN COc1ccncc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130660464 341037668 /nfs/dbraw/zinc/03/76/68/341037668.db2.gz VBERQEFSXUFDDF-CVEARBPZSA-N 0 0 310.397 3.956 10 0 DHAERN Oc1cncc(/C=C/c2nc(Cc3ccc(Cl)cc3)no2)c1 ZINC000131977375 341114426 /nfs/dbraw/zinc/11/44/26/341114426.db2.gz GGWSSMMLDOEOSD-ZZXKWVIFSA-N 0 0 313.744 3.585 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCn2c3ccccc3nc21 ZINC000133396666 341174528 /nfs/dbraw/zinc/17/45/28/341174528.db2.gz ZDCQHSDSFXMGNT-HUUCEWRRSA-N 0 0 309.413 3.599 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H](C)SC)o1 ZINC000133958117 341202881 /nfs/dbraw/zinc/20/28/81/341202881.db2.gz JJAIEQWGOAFOQU-OCCSQVGLSA-N 0 0 310.463 3.830 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078291564 341239835 /nfs/dbraw/zinc/23/98/35/341239835.db2.gz RARGVWTXSPJXIR-XDQVBPFNSA-N 0 0 318.383 3.939 10 0 DHAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000078744734 341247357 /nfs/dbraw/zinc/24/73/57/341247357.db2.gz MCCSSLIBYWQKQR-WDEREUQCSA-N 0 0 301.308 3.552 10 0 DHAERN C[C@H](NC(=O)N1CCO[C@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000136354210 341257240 /nfs/dbraw/zinc/25/72/40/341257240.db2.gz VXFAYSKAHMBEPX-RRFJBIMHSA-N 0 0 312.413 3.720 10 0 DHAERN C[C@H](NC(=O)N1CCO[C@@H](C)[C@H]1C)c1ccc2ccccc2c1 ZINC000136354105 341257269 /nfs/dbraw/zinc/25/72/69/341257269.db2.gz VXFAYSKAHMBEPX-ZNMIVQPWSA-N 0 0 312.413 3.720 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2ccccc2c1 ZINC000081451495 341291243 /nfs/dbraw/zinc/29/12/43/341291243.db2.gz ZYQCZIILXJZMHW-ZDUSSCGKSA-N 0 0 313.397 3.642 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000245513409 341298645 /nfs/dbraw/zinc/29/86/45/341298645.db2.gz OTWYOQXWBFEMAJ-DWRORGKVSA-N 0 0 307.478 3.602 10 0 DHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(C)o2)CCO1 ZINC000245518170 341299592 /nfs/dbraw/zinc/29/95/92/341299592.db2.gz HNCNDWZYCVVUPA-UNEWFSDZSA-N 0 0 322.449 3.932 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245549921 341301483 /nfs/dbraw/zinc/30/14/83/341301483.db2.gz ZRDHNYREBDJMRO-MSOLQXFVSA-N 0 0 313.445 3.590 10 0 DHAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245859461 341316448 /nfs/dbraw/zinc/31/64/48/341316448.db2.gz DCVNIXVWSQCTRP-JAYZULETSA-N 0 0 319.489 3.747 10 0 DHAERN C[C@H](N(C)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(C)CC1 ZINC000245874741 341317046 /nfs/dbraw/zinc/31/70/46/341317046.db2.gz IAEAFGMAHHLNGP-QJPTWQEYSA-N 0 0 306.372 3.938 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1cc2ccccc2s1 ZINC000245930997 341318796 /nfs/dbraw/zinc/31/87/96/341318796.db2.gz PXAOPUZRAVOUJT-SGMGOOAPSA-N 0 0 318.442 3.829 10 0 DHAERN Cc1ccc(F)cc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001216 341321544 /nfs/dbraw/zinc/32/15/44/341321544.db2.gz RUBQIGZOPPRAMW-QAPCUYQASA-N 0 0 321.342 3.720 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246173689 341331419 /nfs/dbraw/zinc/33/14/19/341331419.db2.gz JNYCJCYGJQDGGU-OLMNPRSZSA-N 0 0 319.420 3.564 10 0 DHAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CCS1 ZINC000246253159 341338516 /nfs/dbraw/zinc/33/85/16/341338516.db2.gz MCUJCHUFYYBRGC-JEBQAFNWSA-N 0 0 311.450 3.907 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000246282486 341339890 /nfs/dbraw/zinc/33/98/90/341339890.db2.gz NRBWHGFIHZEMBP-BNGXUDDSSA-N 0 0 309.837 3.560 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](C)C2CCOCC2)cc1 ZINC000246315086 341341835 /nfs/dbraw/zinc/34/18/35/341341835.db2.gz DTQHFIZPERCTFO-MDASCCDHSA-N 0 0 315.457 3.845 10 0 DHAERN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@H]1C ZINC000246463425 341349732 /nfs/dbraw/zinc/34/97/32/341349732.db2.gz FZNMDABWUSRISD-GYSYKLTISA-N 0 0 310.235 3.542 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000246502291 341351012 /nfs/dbraw/zinc/35/10/12/341351012.db2.gz HPODFNNPNYCUAN-HDMKZQKVSA-N 0 0 318.461 3.816 10 0 DHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000246611714 341354328 /nfs/dbraw/zinc/35/43/28/341354328.db2.gz DOTMYXLCPADJCD-MBNYWOFBSA-N 0 0 314.351 3.742 10 0 DHAERN Cc1ccccc1[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)C(C)C ZINC000246613872 341354463 /nfs/dbraw/zinc/35/44/63/341354463.db2.gz LWAGBTALJNQHMH-DJIMGWMZSA-N 0 0 304.434 3.559 10 0 DHAERN CC[C@H](C)[C@H](O)CNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000246848412 341357759 /nfs/dbraw/zinc/35/77/59/341357759.db2.gz ZNQLXPWOAWVBLJ-PMUMKWKESA-N 0 0 314.429 3.607 10 0 DHAERN Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2C2CCCCC2)o1 ZINC000246921698 341358661 /nfs/dbraw/zinc/35/86/61/341358661.db2.gz MVZCQKKPCVUXFD-BBWFWOEESA-N 0 0 317.429 3.704 10 0 DHAERN C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247494764 341365751 /nfs/dbraw/zinc/36/57/51/341365751.db2.gz WMECMWBLRMXLGO-YVECIDJPSA-N 0 0 306.372 3.938 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)[C@@H]1C ZINC000247994969 341372013 /nfs/dbraw/zinc/37/20/13/341372013.db2.gz JVEPREKHAOVQFM-YRGRVCCFSA-N 0 0 314.351 3.600 10 0 DHAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248472420 341378573 /nfs/dbraw/zinc/37/85/73/341378573.db2.gz JTQRLOFIDGYFQZ-FVCCEPFGSA-N 0 0 306.372 3.938 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)CCc2ccccc2N)cc1F ZINC000262327244 341518623 /nfs/dbraw/zinc/51/86/23/341518623.db2.gz RXMJVIGBDDMQSV-CYBMUJFWSA-N 0 0 300.377 3.526 10 0 DHAERN CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153559339 341574751 /nfs/dbraw/zinc/57/47/51/341574751.db2.gz WVFRRMROKCELOB-XJKSGUPXSA-N 0 0 324.852 3.858 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1ccc2[nH]cnc2c1 ZINC000153863529 341580293 /nfs/dbraw/zinc/58/02/93/341580293.db2.gz UGXTXZMGVOUHIM-HNNXBMFYSA-N 0 0 309.344 3.509 10 0 DHAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000154065318 341584014 /nfs/dbraw/zinc/58/40/14/341584014.db2.gz JYXXETXPFXWPKL-CVEARBPZSA-N 0 0 308.853 3.853 10 0 DHAERN CCc1cc(N[C@H](C)c2ccc(OC)c(OC)c2)nc(C)n1 ZINC000272845153 341630796 /nfs/dbraw/zinc/63/07/96/341630796.db2.gz JKJVWTHUSUNDDR-LLVKDONJSA-N 0 0 301.390 3.538 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1O ZINC000157300818 341636005 /nfs/dbraw/zinc/63/60/05/341636005.db2.gz OUEQOAJLHRNEND-CHWSQXEVSA-N 0 0 303.308 3.721 10 0 DHAERN C[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000158114358 341651747 /nfs/dbraw/zinc/65/17/47/341651747.db2.gz DADSSEDZBBTYFT-CQSZACIVSA-N 0 0 318.376 3.533 10 0 DHAERN Cc1c(C(=O)N2CCS[C@@H](C)C2)sc2cccc(F)c12 ZINC000171576707 341780867 /nfs/dbraw/zinc/78/08/67/341780867.db2.gz CLDZRNCAWWMWSZ-VIFPVBQESA-N 0 0 309.431 3.926 10 0 DHAERN CC(C)Oc1c(Cl)cccc1NCc1nnc(C(C)C)n1C ZINC000172393973 341798245 /nfs/dbraw/zinc/79/82/45/341798245.db2.gz ZHSNVOMWQMPHPL-UHFFFAOYSA-N 0 0 322.840 3.991 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)s1 ZINC000176329934 341869114 /nfs/dbraw/zinc/86/91/14/341869114.db2.gz YPSSMLHTDDEBLH-NSHDSACASA-N 0 0 320.418 3.932 10 0 DHAERN CC[C@@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178218330 341949576 /nfs/dbraw/zinc/94/95/76/341949576.db2.gz VRMKSMTVAPGMPC-DGCLKSJQSA-N 0 0 302.340 3.600 10 0 DHAERN CC(C)(C(=O)N[C@H]1CCOc2ccccc21)c1cccc(F)c1 ZINC000172407918 518533906 /nfs/dbraw/zinc/53/39/06/518533906.db2.gz HJZBRHGIEKMPFV-INIZCTEOSA-N 0 0 313.372 3.743 10 0 DHAERN CC(C)Cn1ncc(C(=O)N[C@@H](C)c2cccs2)c1C1CC1 ZINC000180054719 519536016 /nfs/dbraw/zinc/53/60/16/519536016.db2.gz LZOBUBSQHFABFU-LBPRGKRZSA-N 0 0 317.458 3.969 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000181397549 519763680 /nfs/dbraw/zinc/76/36/80/519763680.db2.gz JLGFEPAOTBVURN-CYBMUJFWSA-N 0 0 315.417 3.833 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000107820686 519792085 /nfs/dbraw/zinc/79/20/85/519792085.db2.gz OXLLOVGLAOJOQT-TZMCWYRMSA-N 0 0 324.396 3.550 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2ccccn2)cc1 ZINC000128229923 519839651 /nfs/dbraw/zinc/83/96/51/519839651.db2.gz QVEHGBLWZVICHD-RBUKOAKNSA-N 0 0 308.425 3.667 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccsc2)no1 ZINC000157534318 519868177 /nfs/dbraw/zinc/86/81/77/519868177.db2.gz UZCOSFONWZVGTH-LLVKDONJSA-N 0 0 306.391 3.624 10 0 DHAERN CC(C)n1ccnc1CNc1cc(Cl)ccc1-n1cccn1 ZINC000124137830 520030773 /nfs/dbraw/zinc/03/07/73/520030773.db2.gz UWCGEZSCFOECNC-UHFFFAOYSA-N 0 0 315.808 3.915 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1csnn1 ZINC000125434934 520511424 /nfs/dbraw/zinc/51/14/24/520511424.db2.gz WQKBOTZCBSIJJG-CQSZACIVSA-N 0 0 323.849 3.544 10 0 DHAERN CCCC[C@@H](NCc1nnc(C)n1CC)c1ccc(OC)cc1 ZINC000182140346 521102292 /nfs/dbraw/zinc/10/22/92/521102292.db2.gz GUUYUNAPMJWZDH-QGZVFWFLSA-N 0 0 316.449 3.636 10 0 DHAERN CCOc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180649211 521390281 /nfs/dbraw/zinc/39/02/81/521390281.db2.gz XBFOVVGBZAXKEO-INIZCTEOSA-N 0 0 314.389 3.568 10 0 DHAERN CCCc1ccccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000158711986 521440195 /nfs/dbraw/zinc/44/01/95/521440195.db2.gz AIAPZROUGXPIGG-VQIMIIECSA-N 0 0 316.445 3.798 10 0 DHAERN CCCn1c(C)nnc1CN1CCCC[C@H]1c1ccc(CC)o1 ZINC000159299693 521622699 /nfs/dbraw/zinc/62/26/99/521622699.db2.gz UCYPPMRHQHJJAX-INIZCTEOSA-N 0 0 316.449 3.879 10 0 DHAERN CC[C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000157420456 521861892 /nfs/dbraw/zinc/86/18/92/521861892.db2.gz YIKJGFXFOMLSNC-WBVHZDCISA-N 0 0 313.372 3.959 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)Nc3ccncc3)C2)n1 ZINC000113365061 522113197 /nfs/dbraw/zinc/11/31/97/522113197.db2.gz IQFFPGRQNTXXEH-GFCCVEGCSA-N 0 0 316.430 3.512 10 0 DHAERN COC[C@@H](C)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000163206993 522169645 /nfs/dbraw/zinc/16/96/45/522169645.db2.gz FMDUXGZOKOFUOB-BXKDBHETSA-N 0 0 323.742 3.684 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000171429320 522173534 /nfs/dbraw/zinc/17/35/34/522173534.db2.gz OINDRHFXXRVNQL-SFYZADRCSA-N 0 0 308.180 3.592 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000103429079 522177261 /nfs/dbraw/zinc/17/72/61/522177261.db2.gz ZLMPNCSUEGNHIQ-CQSZACIVSA-N 0 0 323.396 3.531 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000103358130 522179674 /nfs/dbraw/zinc/17/96/74/522179674.db2.gz PYRQUIIPSKLJKK-SSDOTTSWSA-N 0 0 316.835 3.746 10 0 DHAERN CC[C@H](CSC)NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000179979630 522275086 /nfs/dbraw/zinc/27/50/86/522275086.db2.gz ULRQVCQXPYPQEM-VXGBXAGGSA-N 0 0 313.492 3.521 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccccc1F ZINC000180744592 522519576 /nfs/dbraw/zinc/51/95/76/522519576.db2.gz VSKZSWPCVDUGDR-HUUCEWRRSA-N 0 0 302.397 3.555 10 0 DHAERN COC[C@H](C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000103362200 522549525 /nfs/dbraw/zinc/54/95/25/522549525.db2.gz UPPBWEWXYMHQMZ-ZDUSSCGKSA-N 0 0 317.360 3.517 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000103383450 522553168 /nfs/dbraw/zinc/55/31/68/522553168.db2.gz CTDHXLSDXHOJQA-JGVFFNPUSA-N 0 0 308.180 3.592 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000103358129 522554261 /nfs/dbraw/zinc/55/42/61/522554261.db2.gz PYRQUIIPSKLJKK-ZETCQYMHSA-N 0 0 316.835 3.746 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000105851572 522593460 /nfs/dbraw/zinc/59/34/60/522593460.db2.gz YASYDQONKADRSI-INIZCTEOSA-N 0 0 303.450 3.579 10 0 DHAERN CCc1ncsc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127919895 522622130 /nfs/dbraw/zinc/62/21/30/522622130.db2.gz OWUPCWXDJGFMEQ-BDAKNGLRSA-N 0 0 306.353 3.556 10 0 DHAERN CCc1nn(C)c(Cl)c1C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000157058328 522665423 /nfs/dbraw/zinc/66/54/23/522665423.db2.gz WYCQIVCGFFUOSD-LLVKDONJSA-N 0 0 319.836 3.689 10 0 DHAERN COc1cc([C@H](C)Nc2ccccc2C)ccc1S(C)(=O)=O ZINC000182532429 522950299 /nfs/dbraw/zinc/95/02/99/522950299.db2.gz QBVOSOBJDRLKSB-ZDUSSCGKSA-N 0 0 319.426 3.580 10 0 DHAERN COCCC1(CNC(=O)N[C@@H](C)c2cccs2)CCCC1 ZINC000177882418 523044394 /nfs/dbraw/zinc/04/43/94/523044394.db2.gz JABQALRROBBSIA-ZDUSSCGKSA-N 0 0 310.463 3.705 10 0 DHAERN COCCC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000164246850 523052378 /nfs/dbraw/zinc/05/23/78/523052378.db2.gz LXQHJLQIISMGMK-QZTJIDSGSA-N 0 0 315.457 3.846 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1cccc(C)c1)C(C)(C)C ZINC000180788608 523155981 /nfs/dbraw/zinc/15/59/81/523155981.db2.gz QREJMNPPCFNOHQ-QGZVFWFLSA-N 0 0 300.450 3.792 10 0 DHAERN CCn1c(CN[C@@H](C)c2ccc(C)o2)nc2c1cccc2F ZINC000182571570 523197085 /nfs/dbraw/zinc/19/70/85/523197085.db2.gz POFOPXYZLQRHQT-LBPRGKRZSA-N 0 0 301.365 3.948 10 0 DHAERN COc1ccc(CN2CCCC[C@H]2c2nccs2)cc1O ZINC000127665811 524026977 /nfs/dbraw/zinc/02/69/77/524026977.db2.gz GIPBXPAUKSIBCR-ZDUSSCGKSA-N 0 0 304.415 3.585 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@H](C)CCCOC)o1 ZINC000182993997 524053089 /nfs/dbraw/zinc/05/30/89/524053089.db2.gz KUHOLLVNXJNXID-GDBMZVCRSA-N 0 0 307.434 3.958 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ncc(F)cc2F)o1 ZINC000192348157 524053775 /nfs/dbraw/zinc/05/37/75/524053775.db2.gz QIEYQURSEZLFGX-CQSZACIVSA-N 0 0 320.339 3.883 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)c2ccccc21 ZINC000162702698 524368935 /nfs/dbraw/zinc/36/89/35/524368935.db2.gz MVPFPIVQPSPRAE-YVEFUNNKSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)CCc2cscn2)c2ccccc21 ZINC000179284014 524417468 /nfs/dbraw/zinc/41/74/68/524417468.db2.gz FYBSUTZFKOAJGF-LRDDRELGSA-N 0 0 300.427 3.831 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Br)c2Cl)O1 ZINC000338514929 524564553 /nfs/dbraw/zinc/56/45/53/524564553.db2.gz QUJKJOCJNZAASZ-XCBNKYQSSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171739685 524753596 /nfs/dbraw/zinc/75/35/96/524753596.db2.gz GQIPAVJFCWDHCZ-LERXQTSPSA-N 0 0 321.392 3.877 10 0 DHAERN Cc1cc(Cl)ncc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000178096429 524920776 /nfs/dbraw/zinc/92/07/76/524920776.db2.gz SZUASBSZKMUGLW-GFCCVEGCSA-N 0 0 317.776 3.689 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 ZINC000176206278 524962744 /nfs/dbraw/zinc/96/27/44/524962744.db2.gz DSFIGZVKKFZQHR-CMPLNLGQSA-N 0 0 315.398 3.530 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1CC(F)(F)F ZINC000188200496 525013753 /nfs/dbraw/zinc/01/37/53/525013753.db2.gz DXBLRRBUKOIAGN-PWSUYJOCSA-N 0 0 301.308 3.545 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190461447 525015124 /nfs/dbraw/zinc/01/51/24/525015124.db2.gz BGFJAKCSRXKCLX-SCZZXKLOSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000190261572 525015749 /nfs/dbraw/zinc/01/57/49/525015749.db2.gz DOVLREMUJGXGPH-PSASIEDQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000191630321 525018293 /nfs/dbraw/zinc/01/82/93/525018293.db2.gz AAHYZAYSEHQQSZ-CXAGYDPISA-N 0 0 312.369 3.628 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)[C@H](C)c2cccs2)cc1OC ZINC000151799557 525141069 /nfs/dbraw/zinc/14/10/69/525141069.db2.gz ZGLFJJMYORSOOK-VXGBXAGGSA-N 0 0 319.426 3.746 10 0 DHAERN C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000190184271 525174569 /nfs/dbraw/zinc/17/45/69/525174569.db2.gz JURQNTDFWHZXAY-GHMZBOCLSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1cc2ccccc2s1 ZINC000191451615 525175079 /nfs/dbraw/zinc/17/50/79/525175079.db2.gz HHTBAKDYOVSBME-SCRDCRAPSA-N 0 0 303.427 3.894 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1cccs1 ZINC000190014124 525176031 /nfs/dbraw/zinc/17/60/31/525176031.db2.gz SGEJEMQTQKIDJQ-FZMZJTMJSA-N 0 0 301.411 3.751 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(CC(F)F)c1cccc(Cl)c1 ZINC000191921407 525555289 /nfs/dbraw/zinc/55/52/89/525555289.db2.gz YYQRJBITJSGTPU-GWCFXTLKSA-N 0 0 317.763 3.753 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000189170471 525556625 /nfs/dbraw/zinc/55/66/25/525556625.db2.gz JXNVPTBUQRSMAB-FZMZJTMJSA-N 0 0 315.335 3.935 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc(-c3ccc(F)c(C)c3)no2)o1 ZINC000182564210 525736649 /nfs/dbraw/zinc/73/66/49/525736649.db2.gz JGMVDYNLYOTJMZ-GFCCVEGCSA-N 0 0 315.348 3.936 10 0 DHAERN Cc1c(Cl)cccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151691684 525770529 /nfs/dbraw/zinc/77/05/29/525770529.db2.gz ODLYQTDABQITNR-CXAGYDPISA-N 0 0 322.836 3.807 10 0 DHAERN CSc1ccc(CN2CCO[C@@H](c3nc(C)cs3)C2)cc1 ZINC000157070995 525990877 /nfs/dbraw/zinc/99/08/77/525990877.db2.gz XLBGRIOTGUOJJB-OAHLLOKOSA-N 0 0 320.483 3.747 10 0 DHAERN CSc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000180617937 526029131 /nfs/dbraw/zinc/02/91/31/526029131.db2.gz VHJZUNSSATTZBE-OAHLLOKOSA-N 0 0 316.430 3.891 10 0 DHAERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000191138498 526175861 /nfs/dbraw/zinc/17/58/61/526175861.db2.gz OLGMLKJLFUWNEZ-AVGNSLFASA-N 0 0 318.442 3.631 10 0 DHAERN Cc1coc2ccc(NC(=O)N3CCC[C@@H]3c3cnn(C)c3)cc12 ZINC000187996476 526294316 /nfs/dbraw/zinc/29/43/16/526294316.db2.gz PQQGABLSFWMJJG-MRXNPFEDSA-N 0 0 324.384 3.844 10 0 DHAERN c1cnn([C@@H]2CCCC[C@@H]2Nc2noc(-c3ccccc3)n2)c1 ZINC000157818797 526557211 /nfs/dbraw/zinc/55/72/11/526557211.db2.gz UVURJFMMWHQZPK-LSDHHAIUSA-N 0 0 309.373 3.529 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000156680816 526560434 /nfs/dbraw/zinc/56/04/34/526560434.db2.gz LCFXFRATHNMPDX-SMDDNHRTSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(NC[C@H]1CC=CCC1)N1CCCC[C@H]1c1nccs1 ZINC000176274950 526585157 /nfs/dbraw/zinc/58/51/57/526585157.db2.gz UDPPMKVWAYABDK-KBPBESRZSA-N 0 0 305.447 3.736 10 0 DHAERN c1nc([C@H]2CCCCN2CCOc2cccc3ccccc32)n[nH]1 ZINC000182684133 526604638 /nfs/dbraw/zinc/60/46/38/526604638.db2.gz VRDQPXKIUQWFEM-QGZVFWFLSA-N 0 0 322.412 3.564 10 0 DHAERN O=C(c1ccc(Cl)c(Br)c1)N1C[C@H]2CCC[C@@H]21 ZINC000337981172 526671926 /nfs/dbraw/zinc/67/19/26/526671926.db2.gz SYQSDGHFCPZQLH-SKDRFNHKSA-N 0 0 314.610 3.727 10 0 DHAERN O=C(c1ccc(Cl)nc1)N1CCCC[C@H]1c1nccs1 ZINC000265172898 526681633 /nfs/dbraw/zinc/68/16/33/526681633.db2.gz DKOSCJAWBQXVSU-NSHDSACASA-N 0 0 307.806 3.559 10 0 DHAERN O=C(c1ccc(Cl)nc1)N1CCCC[C@@H]1c1nccs1 ZINC000265172895 526682667 /nfs/dbraw/zinc/68/26/67/526682667.db2.gz DKOSCJAWBQXVSU-LLVKDONJSA-N 0 0 307.806 3.559 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2CSCCS2)o1 ZINC000299743168 526740683 /nfs/dbraw/zinc/74/06/83/526740683.db2.gz MGCPLKDOVGZGKD-DCAQKATOSA-N 0 0 314.476 3.509 10 0 DHAERN Cc1oc2ccccc2c1CN1CCO[C@H](c2nccs2)C1 ZINC000129274983 526785523 /nfs/dbraw/zinc/78/55/23/526785523.db2.gz KFNOFHUJFJJYRH-INIZCTEOSA-N 0 0 314.410 3.771 10 0 DHAERN Cc1nc(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1 ZINC000163606456 526792305 /nfs/dbraw/zinc/79/23/05/526792305.db2.gz DPCTUJQAXMPVLK-WDEREUQCSA-N 0 0 320.380 3.540 10 0 DHAERN Cc1nc(Cl)ccc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000124555634 526936702 /nfs/dbraw/zinc/93/67/02/526936702.db2.gz XLTYKUZNNVCYQZ-LBPRGKRZSA-N 0 0 321.833 3.867 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)C1=COCCC1 ZINC000129843413 527016931 /nfs/dbraw/zinc/01/69/31/527016931.db2.gz KQYFONVJZPFFEB-INIZCTEOSA-N 0 0 313.397 3.634 10 0 DHAERN Cc1nc([C@H](C)OC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000191318661 527068509 /nfs/dbraw/zinc/06/85/09/527068509.db2.gz TUMRDKWXXFKMJQ-XZJROXQQSA-N 0 0 314.385 3.909 10 0 DHAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172120351 527124079 /nfs/dbraw/zinc/12/40/79/527124079.db2.gz GRNJWAUAHNNGJU-LPHOPBHVSA-N 0 0 323.440 3.974 10 0 DHAERN O=C(Nc1ccc2c(c1)CCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180608011 527270781 /nfs/dbraw/zinc/27/07/81/527270781.db2.gz CSFCTQMGBGOHEO-KRWDZBQOSA-N 0 0 310.401 3.658 10 0 DHAERN O=C(NCCC1=CCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000179921029 527622676 /nfs/dbraw/zinc/62/26/76/527622676.db2.gz KIVGXSQHLNGXRL-MRXNPFEDSA-N 0 0 302.422 3.537 10 0 DHAERN O=C(/C=C/c1ccc[nH]1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188515690 527623241 /nfs/dbraw/zinc/62/32/41/527623241.db2.gz YZBCOOKCZGTODG-FVNWOWOISA-N 0 0 322.408 3.981 10 0 DHAERN O=C(NCCC1=CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000179921012 527624492 /nfs/dbraw/zinc/62/44/92/527624492.db2.gz KIVGXSQHLNGXRL-INIZCTEOSA-N 0 0 302.422 3.537 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc2c1CCC2 ZINC000105850126 527662098 /nfs/dbraw/zinc/66/20/98/527662098.db2.gz XTQMANJFPARANA-GOSISDBHSA-N 0 0 323.440 3.503 10 0 DHAERN COc1nsc(OC)c1-c1cccc(Br)c1 ZINC000669379902 563869983 /nfs/dbraw/zinc/86/99/83/563869983.db2.gz MIZZIHUMKAFZNU-UHFFFAOYSA-N 0 0 300.177 3.590 10 0 DHAERN CCOC(=O)c1sc(Br)cc1[C@@H]1CCSC1 ZINC000675058223 563910294 /nfs/dbraw/zinc/91/02/94/563910294.db2.gz XHMHLZQNNQADME-SSDOTTSWSA-N 0 0 321.261 3.908 10 0 DHAERN CCCC(CCC)c1n[nH]c2c1CN(c1ccc(C)nn1)CC2 ZINC000023250519 563419729 /nfs/dbraw/zinc/41/97/29/563419729.db2.gz AZNRYTQHUYQRKV-UHFFFAOYSA-N 0 0 313.449 3.755 10 0 DHAERN Cc1[nH]nc(CCc2ccccc2)c1NC(=O)Cc1ccccc1 ZINC000034795270 563451390 /nfs/dbraw/zinc/45/13/90/563451390.db2.gz WNTZIKVVUXJFSE-UHFFFAOYSA-N 0 0 319.408 3.685 10 0 DHAERN COC(=O)c1cc(-c2ccc(/C=C/[N+](=O)[O-])o2)ccc1Cl ZINC000069593507 563497310 /nfs/dbraw/zinc/49/73/10/563497310.db2.gz CJWOEVNJDJKEOZ-VOTSOKGWSA-N 0 0 307.689 3.634 10 0 DHAERN FC(F)(F)Cc1nc2cc(C(F)(F)F)cc(Cl)n2n1 ZINC000725243104 563525578 /nfs/dbraw/zinc/52/55/78/563525578.db2.gz KVHWTNZSMKAFSS-UHFFFAOYSA-N 0 0 303.593 3.506 10 0 DHAERN CCS[C@H](C)c1nc(-c2ccncc2)nn1-c1ccccn1 ZINC000096163715 563534781 /nfs/dbraw/zinc/53/47/81/563534781.db2.gz FZPKKXHEEWKZEU-GFCCVEGCSA-N 0 0 311.414 3.538 10 0 DHAERN Oc1ccc(NCCC(F)(F)C(F)(F)Br)cc1 ZINC000098211080 563544604 /nfs/dbraw/zinc/54/46/04/563544604.db2.gz RQLWGXWVAQWMEG-UHFFFAOYSA-N 0 0 316.092 3.817 10 0 DHAERN Cc1ccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)cc1 ZINC000224281905 563882752 /nfs/dbraw/zinc/88/27/52/563882752.db2.gz ARUTXKMLNXZEDL-UHFFFAOYSA-N 0 0 323.327 3.969 10 0 DHAERN CC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095354 563892705 /nfs/dbraw/zinc/89/27/05/563892705.db2.gz BISSIJAJHCIKLR-KRWDZBQOSA-N 0 0 317.404 3.607 10 0 DHAERN Cc1ccc(NC(=O)CN2CCSc3ccccc32)cc1C ZINC000007493287 563906922 /nfs/dbraw/zinc/90/69/22/563906922.db2.gz BHASZEVYZNCWBL-UHFFFAOYSA-N 0 0 312.438 3.854 10 0 DHAERN C[C@H](O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000226272949 563913646 /nfs/dbraw/zinc/91/36/46/563913646.db2.gz LMPMVDAUKPODAD-JTQLQIEISA-N 0 0 320.186 3.755 10 0 DHAERN Fc1ccc2c(Br)cnc(Br)c2c1 ZINC000096856536 563913711 /nfs/dbraw/zinc/91/37/11/563913711.db2.gz WDUCXBLFNQXZAM-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN CC(C)(C)C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1 ZINC000226287369 563913761 /nfs/dbraw/zinc/91/37/61/563913761.db2.gz TZLIODHRUPVZHO-UHFFFAOYSA-N 0 0 308.381 3.832 10 0 DHAERN Brc1cscc1[C@@H]1NCCc2sccc21 ZINC000397143103 568414988 /nfs/dbraw/zinc/41/49/88/568414988.db2.gz DRUCYTNAWSKBQI-LLVKDONJSA-N 0 0 300.246 3.807 10 0 DHAERN CS[C@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000382880249 971837276 /nfs/dbraw/zinc/83/72/76/971837276.db2.gz LUQBANCDYPOKMM-JTQLQIEISA-N 0 0 307.440 3.537 10 0 DHAERN O=C([O-])CCCC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000262298268 961629335 /nfs/dbraw/zinc/62/93/35/961629335.db2.gz ZBBMSLADICTYIU-FQEVSTJZSA-N 0 0 309.409 3.889 10 0 DHAERN C[C@@H]([NH2+]CC(C)(C)c1cccs1)c1ncc(C(=O)[O-])s1 ZINC000314596801 963775167 /nfs/dbraw/zinc/77/51/67/963775167.db2.gz CCKJUUSRTLXYDS-SECBINFHSA-N 0 0 310.444 3.531 10 0 DHAERN C[C@H]1C[N@H+](Cc2cccc(Cl)c2Cl)C[C@]1(C)C(=O)[O-] ZINC000710163987 977488558 /nfs/dbraw/zinc/48/85/58/977488558.db2.gz LAEGGTKBQIVKDV-XPTSAGLGSA-N 0 0 302.201 3.536 10 0 DHAERN O=C(C=C1CCC1)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000087357902 1032277995 /nfs/dbraw/zinc/27/79/95/1032277995.db2.gz RQDJXIQTGDQHAP-KRWDZBQOSA-N 0 0 321.424 3.893 10 0 DHAERN Cc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202100 1032389037 /nfs/dbraw/zinc/38/90/37/1032389037.db2.gz NBWZWQMYMUPHJO-INIZCTEOSA-N 0 0 313.788 3.911 10 0 DHAERN Cc1csc(SCC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000048643577 1025665194 /nfs/dbraw/zinc/66/51/94/1025665194.db2.gz ZHXPUDFSTXOUMO-LLVKDONJSA-N 0 0 324.496 3.969 10 0 DHAERN CC[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1cccs1 ZINC000055965889 1025885636 /nfs/dbraw/zinc/88/56/36/1025885636.db2.gz HDTMWBQDIPAPLR-QNMSZWNNSA-N 0 0 305.443 3.711 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(F)c1 ZINC000062093908 1025936973 /nfs/dbraw/zinc/93/69/73/1025936973.db2.gz GSHQMDOWAUJMSK-UHFFFAOYSA-N 0 0 324.355 3.762 10 0 DHAERN CC(C)CCSCC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048413 1030523188 /nfs/dbraw/zinc/52/31/88/1030523188.db2.gz YMEYBFUVHNVLRL-ZDUSSCGKSA-N 0 0 312.504 3.628 10 0 DHAERN C[C@@]1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000076507884 1030796418 /nfs/dbraw/zinc/79/64/18/1030796418.db2.gz KSUBPMPRFSTGPK-ZFWWWQNUSA-N 0 0 312.240 3.662 10 0 DHAERN CCO[C@@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000076731729 1030817672 /nfs/dbraw/zinc/81/76/72/1030817672.db2.gz INCBOPZFUPJGKG-LBPRGKRZSA-N 0 0 319.430 3.518 10 0 DHAERN COc1cc(F)cc(Nc2cc(C)nc(-c3cccnc3)n2)c1 ZINC000163567919 334927879 /nfs/dbraw/zinc/92/78/79/334927879.db2.gz BCZJEKOQFIPSDV-UHFFFAOYSA-N 0 0 310.332 3.738 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NCc1cnn(C(C)C)c1 ZINC000076892213 185050634 /nfs/dbraw/zinc/05/06/34/185050634.db2.gz QOYYGOABNMYUTN-AWEZNQCLSA-N 0 0 311.433 3.684 10 0 DHAERN Cc1c2c(nn1[C@@H]1CCCCO1)c1cc(Cl)ccc1[nH]c2=O ZINC000095616865 185382777 /nfs/dbraw/zinc/38/27/77/185382777.db2.gz WKWKRWPZGOOCEO-ZDUSSCGKSA-N 0 0 317.776 3.539 10 0 DHAERN CC(C)c1ccc(I)cc1OC1CC1 ZINC000095726755 185383461 /nfs/dbraw/zinc/38/34/61/185383461.db2.gz WKNMAWSAIDRXPA-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN COc1cc(/C=C(/C)c2noc(-c3ccccc3O)n2)ccc1O ZINC000096835779 185388991 /nfs/dbraw/zinc/38/89/91/185388991.db2.gz LQYRBDHQELGEIR-LUAWRHEFSA-N 0 0 324.336 3.717 10 0 DHAERN COCc1nc(Cl)cc(NC23CC4CC(CC(C4)C2)C3)n1 ZINC000082509862 185189458 /nfs/dbraw/zinc/18/94/58/185189458.db2.gz OVEBTUZSEUJGMR-UHFFFAOYSA-N 0 0 307.825 3.657 10 0 DHAERN CCCc1nsc(N[C@@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000087640965 185229727 /nfs/dbraw/zinc/22/97/27/185229727.db2.gz BZHFZFCABJZIOA-JTQLQIEISA-N 0 0 307.419 3.681 10 0 DHAERN CCCCc1nc(Cl)c(CNCc2ccc(OC)cc2)[nH]1 ZINC000088398667 185248322 /nfs/dbraw/zinc/24/83/22/185248322.db2.gz KLFZUZTWYSHORC-UHFFFAOYSA-N 0 0 307.825 3.704 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc(Cl)c1 ZINC000088559869 185257990 /nfs/dbraw/zinc/25/79/90/185257990.db2.gz VBZJKJSACLHKHI-RISCZKNCSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1nc2cc(Nc3cccnc3)ccc2c(N2CCCC2)n1 ZINC000090411285 185294643 /nfs/dbraw/zinc/29/46/43/185294643.db2.gz DNGJUTKVNXGFGY-UHFFFAOYSA-N 0 0 305.385 3.677 10 0 DHAERN C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461107 185297756 /nfs/dbraw/zinc/29/77/56/185297756.db2.gz NEEVPXUVFILXTJ-GOEBONIOSA-N 0 0 309.413 3.964 10 0 DHAERN COc1ncc(-c2ccc(/C=C/CO)cc2)c2c(O)cccc12 ZINC000090726657 185311390 /nfs/dbraw/zinc/31/13/90/185311390.db2.gz CJVGVAQUMWPBHM-ONEGZZNKSA-N 0 0 307.349 3.622 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790176 185341196 /nfs/dbraw/zinc/34/11/96/185341196.db2.gz LVODNANHOYIOKT-INIZCTEOSA-N 0 0 302.443 3.642 10 0 DHAERN c1csc([C@H]2CN(Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831403 185344637 /nfs/dbraw/zinc/34/46/37/185344637.db2.gz IUDIOEXFHQLUHU-CQSZACIVSA-N 0 0 316.451 3.931 10 0 DHAERN Cc1ccsc1C(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019806424 190644817 /nfs/dbraw/zinc/64/48/17/190644817.db2.gz HOLUGKUXGAPKRN-UHFFFAOYSA-N 0 0 300.305 3.910 10 0 DHAERN C[C@@H](O)c1cc(Br)ccc1OCc1cscn1 ZINC000052068353 190682480 /nfs/dbraw/zinc/68/24/80/190682480.db2.gz SZPUHHFFDSDXAN-MRVPVSSYSA-N 0 0 314.204 3.538 10 0 DHAERN Cc1cc(N)cc(Br)c1NC(=O)Cc1ccccc1 ZINC000226755879 201786435 /nfs/dbraw/zinc/78/64/35/201786435.db2.gz QQPXYIRZWIAYDN-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN CS(=O)(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000070275746 190876844 /nfs/dbraw/zinc/87/68/44/190876844.db2.gz XZOQUUIFAMEHAH-CMPLNLGQSA-N 0 0 321.364 3.623 10 0 DHAERN O=C(Nc1ccncc1Br)c1cccc2cc[nH]c21 ZINC000147601870 186040624 /nfs/dbraw/zinc/04/06/24/186040624.db2.gz JMCDNVHNQWNGSC-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN CCOC(=O)c1cnc2c(OCC)cccc2c1N(CC)CC ZINC000072237107 191080445 /nfs/dbraw/zinc/08/04/45/191080445.db2.gz NUGYBHYOOJDQOB-UHFFFAOYSA-N 0 0 316.401 3.656 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C)nc2C)C12CCCC2 ZINC000150786354 186065776 /nfs/dbraw/zinc/06/57/76/186065776.db2.gz WLFSDGOZIFMQPY-IRXDYDNUSA-N 0 0 316.445 3.508 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)CCCCSC)C12CCCC2 ZINC000150795497 186066264 /nfs/dbraw/zinc/06/62/64/186066264.db2.gz QVTVUAZMMADIIR-CABCVRRESA-N 0 0 313.507 3.716 10 0 DHAERN C[C@@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2 ZINC000000007303 180669381 /nfs/dbraw/zinc/66/93/81/180669381.db2.gz KULRLQMNNXXRGL-INIZCTEOSA-N 0 0 322.330 3.852 10 0 DHAERN COc1ccccc1-c1ccnc(N2CCc3ccccc32)n1 ZINC000072443433 191168009 /nfs/dbraw/zinc/16/80/09/191168009.db2.gz DVHXXIYQPBZYEJ-UHFFFAOYSA-N 0 0 303.365 3.846 10 0 DHAERN COc1ccc(-c2nc3nccc(-c4cccs4)n3n2)cc1 ZINC000072451512 191170987 /nfs/dbraw/zinc/17/09/87/191170987.db2.gz WILAICJUNIMWQU-UHFFFAOYSA-N 0 0 308.366 3.528 10 0 DHAERN Cc1cccc2nc(CSC(=S)N3CCCCC3)cn21 ZINC000000506079 180809301 /nfs/dbraw/zinc/80/93/01/180809301.db2.gz OFWMRQFNBLEBSB-UHFFFAOYSA-N 0 0 305.472 3.647 10 0 DHAERN Cn1cccc1/C=C1/SC(=S)N(c2cccc(F)c2)C1=O ZINC000002420417 180923119 /nfs/dbraw/zinc/92/31/19/180923119.db2.gz RIHMVSOYZCYQER-UKTHLTGXSA-N 0 0 318.398 3.570 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)NC2CCCCCCC2)c1 ZINC000003566926 181035527 /nfs/dbraw/zinc/03/55/27/181035527.db2.gz YODFDISOYDQZSD-JLHYYAGUSA-N 0 0 317.429 3.946 10 0 DHAERN NS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)CCC2)cc1 ZINC000003814651 181047235 /nfs/dbraw/zinc/04/72/35/181047235.db2.gz PISBIZMMMDTULP-UHFFFAOYSA-N 0 0 317.385 3.568 10 0 DHAERN Brc1cccc(Nc2ncnc3ncccc32)c1 ZINC000003815375 181047377 /nfs/dbraw/zinc/04/73/77/181047377.db2.gz DMQAKAYWBRHCDT-UHFFFAOYSA-N 0 0 301.147 3.531 10 0 DHAERN Cc1cc(NCCc2ccccc2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226529 181086478 /nfs/dbraw/zinc/08/64/78/181086478.db2.gz MHFLKWVBNYWMCN-UHFFFAOYSA-N 0 0 306.365 3.896 10 0 DHAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1 ZINC000005238434 181220233 /nfs/dbraw/zinc/22/02/33/181220233.db2.gz QOAMBLGWPLGHMO-UHFFFAOYSA-N 0 0 311.360 3.938 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)Cc1ccc(C)cc1C ZINC000005268130 181225056 /nfs/dbraw/zinc/22/50/56/181225056.db2.gz JLIYWBHJLAYTJA-UHFFFAOYSA-N 0 0 317.410 3.723 10 0 DHAERN CCOc1ccc(C(=O)n2cnc3ccccc32)cc1OCC ZINC000005466649 181246932 /nfs/dbraw/zinc/24/69/32/181246932.db2.gz BQOCTPYUEWEDLW-UHFFFAOYSA-N 0 0 310.353 3.522 10 0 DHAERN c1ccc(-c2nnn(C(c3ccccc3)c3ccccc3)n2)cc1 ZINC000005516979 181252562 /nfs/dbraw/zinc/25/25/62/181252562.db2.gz JUXBDOMPXDXKNU-UHFFFAOYSA-N 0 0 312.376 3.978 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1coc(-c2cccs2)n1 ZINC000081568334 192293016 /nfs/dbraw/zinc/29/30/16/192293016.db2.gz MGVURSSBJQFSRJ-LLVKDONJSA-N 0 0 322.430 3.565 10 0 DHAERN CCc1c(CC)c(OC(C)=O)c2cc(OC)ccc2c1OC ZINC000005956007 181300664 /nfs/dbraw/zinc/30/06/64/181300664.db2.gz LQHGOUHBDLWZOB-UHFFFAOYSA-N 0 0 302.370 3.907 10 0 DHAERN CCc1ccccc1-c1nnc(-c2cccc(OC)c2OC)[nH]1 ZINC000005956808 181300701 /nfs/dbraw/zinc/30/07/01/181300701.db2.gz VZQPCDXWNFBKBG-UHFFFAOYSA-N 0 0 309.369 3.718 10 0 DHAERN COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1CC1 ZINC000006126229 181314636 /nfs/dbraw/zinc/31/46/36/181314636.db2.gz BFGONLSPOIDQGK-UHFFFAOYSA-N 0 0 319.357 3.689 10 0 DHAERN CCCCN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O ZINC000006397543 181337204 /nfs/dbraw/zinc/33/72/04/181337204.db2.gz FQTWCNZKUCUUCW-UHFFFAOYSA-N 0 0 320.348 3.891 10 0 DHAERN CCn1c(C)nnc1CSCc1coc(-c2cccs2)n1 ZINC000091028311 192971580 /nfs/dbraw/zinc/97/15/80/192971580.db2.gz HBMISXJXTFIZJZ-UHFFFAOYSA-N 0 0 320.443 3.756 10 0 DHAERN COC[C@@H](N[C@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413258 193053491 /nfs/dbraw/zinc/05/34/91/193053491.db2.gz VDUAORPJMXKXDF-DLBZAZTESA-N 0 0 319.351 3.766 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2Cl)CN1CC1=CCCOC1 ZINC000093364462 193240164 /nfs/dbraw/zinc/24/01/64/193240164.db2.gz QJTZYWOZKZLDLL-KRWDZBQOSA-N 0 0 321.848 3.839 10 0 DHAERN COc1ccc(OC)c(NC(=O)c2cccc(OC(C)C)c2)c1 ZINC000007668932 181484982 /nfs/dbraw/zinc/48/49/82/181484982.db2.gz BPQPQRVOPSCQEV-UHFFFAOYSA-N 0 0 315.369 3.743 10 0 DHAERN Cc1c(CNc2ccc(OC(F)F)c(Cl)c2)cnn1C ZINC000093649253 193284254 /nfs/dbraw/zinc/28/42/54/193284254.db2.gz NDNOUVGSANLZQE-UHFFFAOYSA-N 0 0 301.724 3.595 10 0 DHAERN C[C@@H](OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089360 193421298 /nfs/dbraw/zinc/42/12/98/193421298.db2.gz DJVWMFXTELCNAI-KGLIPLIRSA-N 0 0 308.422 3.739 10 0 DHAERN C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1 ZINC000008390180 181553131 /nfs/dbraw/zinc/55/31/31/181553131.db2.gz NFWCBWRBVODJQL-SSDOTTSWSA-N 0 0 316.213 3.889 10 0 DHAERN CCc1c(C)scc1CCNC(=O)Nc1ccc(OC)cc1 ZINC000009115985 181602305 /nfs/dbraw/zinc/60/23/05/181602305.db2.gz YQXKBSULHLSXGB-UHFFFAOYSA-N 0 0 318.442 3.992 10 0 DHAERN CC[C@@H](CNS(=O)(=O)C(C)C)c1ccc(C(C)(C)C)cc1 ZINC000013835066 181905209 /nfs/dbraw/zinc/90/52/09/181905209.db2.gz VYXUHCXIPOIIAP-AWEZNQCLSA-N 0 0 311.491 3.806 10 0 DHAERN O=C(CCC1CCCCC1)NC(=S)Nc1ccccc1O ZINC000014028855 181920812 /nfs/dbraw/zinc/92/08/12/181920812.db2.gz PHWXXMNZEYHSLF-UHFFFAOYSA-N 0 0 306.431 3.566 10 0 DHAERN O=C(CCC1CCCCC1)NC(=S)Nc1cccc(O)c1 ZINC000014029006 181921063 /nfs/dbraw/zinc/92/10/63/181921063.db2.gz ZOZCQWDAJPDTIJ-UHFFFAOYSA-N 0 0 306.431 3.566 10 0 DHAERN Cc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC(C)C)c2)cc1 ZINC000014835302 181972393 /nfs/dbraw/zinc/97/23/93/181972393.db2.gz OLCRBKUONTYHOE-VAWYXSNFSA-N 0 0 322.408 3.785 10 0 DHAERN COc1cc(OC)cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000016018232 182029193 /nfs/dbraw/zinc/02/91/93/182029193.db2.gz CBKRTZPGHQRKSP-NSHDSACASA-N 0 0 319.788 3.848 10 0 DHAERN CCc1cc2c(ncnc2S[C@@H](C)C(=O)NC(C)(C)C)s1 ZINC000016712691 182058575 /nfs/dbraw/zinc/05/85/75/182058575.db2.gz ZJXNSZNCZPRWHA-VIFPVBQESA-N 0 0 323.487 3.649 10 0 DHAERN Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000017742094 182085727 /nfs/dbraw/zinc/08/57/27/182085727.db2.gz UQYHVWBTHVXILT-UHFFFAOYSA-N 0 0 311.259 3.528 10 0 DHAERN CC[C@@H](C)NC(=O)CCCCCCCCC(=O)N[C@@H](C)CC ZINC000017820089 182086176 /nfs/dbraw/zinc/08/61/76/182086176.db2.gz HGAQGOHOMGOGCA-IYBDPMFKSA-N 0 0 312.498 3.937 10 0 DHAERN Cc1ccc(NC(=O)Cc2ccccc2N)c(Br)c1 ZINC000019282731 182111879 /nfs/dbraw/zinc/11/18/79/182111879.db2.gz ZNGMDXYADOESCJ-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(Br)s2)cc1N ZINC000019438612 182123130 /nfs/dbraw/zinc/12/31/30/182123130.db2.gz UJJHFBNBPCYUIC-UHFFFAOYSA-N 0 0 311.204 3.654 10 0 DHAERN COc1ccc(N)cc1OCc1ccc(Br)s1 ZINC000019481115 182125448 /nfs/dbraw/zinc/12/54/48/182125448.db2.gz WQHSNIAAMCVTNN-UHFFFAOYSA-N 0 0 314.204 3.680 10 0 DHAERN Cc1cccc(C(=O)Nc2ccccc2Br)c1O ZINC000019503247 182126636 /nfs/dbraw/zinc/12/66/36/182126636.db2.gz MXERPAKFVTZMGN-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN CC1CCC(NC(=O)c2ccc(Br)cc2F)CC1 ZINC000019477332 182124242 /nfs/dbraw/zinc/12/42/42/182124242.db2.gz FGJHZJOORVQLCY-UHFFFAOYSA-N 0 0 314.198 3.897 10 0 DHAERN Nc1cc(F)ccc1NC(=O)c1cc2c(s1)CCCCC2 ZINC000019979763 182172910 /nfs/dbraw/zinc/17/29/10/182172910.db2.gz NDUSJUPAUQFRFS-UHFFFAOYSA-N 0 0 304.390 3.991 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)c1cccc(C(N)=S)c1 ZINC000019988255 182174456 /nfs/dbraw/zinc/17/44/56/182174456.db2.gz IWQQMHOUXOOGRZ-UHFFFAOYSA-N 0 0 304.802 3.535 10 0 DHAERN Nc1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1Cl ZINC000020010002 182177069 /nfs/dbraw/zinc/17/70/69/182177069.db2.gz ZGOFYUBIAMGGOZ-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN COc1cc(Cl)c(C)cc1NC(=O)c1cccc(N)c1C ZINC000020194660 182196036 /nfs/dbraw/zinc/19/60/36/182196036.db2.gz LWVROXKVGBOSFF-UHFFFAOYSA-N 0 0 304.777 3.800 10 0 DHAERN Cc1sc2ncnc(NC[C@@H](C)O)c2c1-c1ccc(C)cc1 ZINC000020322663 182207064 /nfs/dbraw/zinc/20/70/64/182207064.db2.gz RSODBPZFCOUMTD-LLVKDONJSA-N 0 0 313.426 3.768 10 0 DHAERN CCc1ccc(-c2csc3ncnc(NCCCO)c23)cc1 ZINC000020321748 182207070 /nfs/dbraw/zinc/20/70/70/182207070.db2.gz WJVLJZXETRHEKI-UHFFFAOYSA-N 0 0 313.426 3.715 10 0 DHAERN Cc1nc2scc(-c3ccc(F)cc3)c2c(NC[C@@H](C)O)n1 ZINC000020325725 182207953 /nfs/dbraw/zinc/20/79/53/182207953.db2.gz XIEYFFXXYQPQJT-SECBINFHSA-N 0 0 317.389 3.599 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)c3cccs3)n2)c1 ZINC000020336176 182209103 /nfs/dbraw/zinc/20/91/03/182209103.db2.gz KNQVPPRXWCYRIM-UHFFFAOYSA-N 0 0 301.396 3.706 10 0 DHAERN CCC[C@@H](C)NC(=O)[C@H](C)Nc1ccccc1Br ZINC000020367893 182212535 /nfs/dbraw/zinc/21/25/35/182212535.db2.gz UKXFZUZRQDYJSM-MNOVXSKESA-N 0 0 313.239 3.554 10 0 DHAERN COc1ccc(-c2nnc(Cl)c3ccccc32)c(OC)c1 ZINC000020381255 182212871 /nfs/dbraw/zinc/21/28/71/182212871.db2.gz KZICHFWQFNZBHU-UHFFFAOYSA-N 0 0 300.745 3.967 10 0 DHAERN CC(C)c1nn(C)cc1N[C@@H](C)c1ccc(Br)cn1 ZINC000563807661 335023343 /nfs/dbraw/zinc/02/33/43/335023343.db2.gz QCWQTNPKPRNPDI-JTQLQIEISA-N 0 0 323.238 3.874 10 0 DHAERN Cc1cc(C(=O)Nc2ccc(F)cc2Br)ccc1N ZINC000020430041 182216432 /nfs/dbraw/zinc/21/64/32/182216432.db2.gz NKCUMWOOEDVIDY-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Cc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1 ZINC000020593946 182235564 /nfs/dbraw/zinc/23/55/64/182235564.db2.gz VMYYUAJOIIIZEC-UHFFFAOYSA-N 0 0 305.097 3.962 10 0 DHAERN CC(C)CNC(=O)CNc1cc(Cl)c(Cl)cc1Cl ZINC000021009560 182259456 /nfs/dbraw/zinc/25/94/56/182259456.db2.gz GGMLORRNOGHUQK-UHFFFAOYSA-N 0 0 309.624 3.831 10 0 DHAERN CCCOc1c(Cl)cc(C(=O)N[C@H](C)C(C)C)cc1OC ZINC000021871679 182295573 /nfs/dbraw/zinc/29/55/73/182295573.db2.gz AKFARWAFGPMWOI-LLVKDONJSA-N 0 0 313.825 3.912 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000023386999 182358992 /nfs/dbraw/zinc/35/89/92/182358992.db2.gz UNHCIBPKAROQSV-VHSXEESVSA-N 0 0 306.715 3.586 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1nc(Cl)ccc1Cl ZINC000024646260 182386193 /nfs/dbraw/zinc/38/61/93/182386193.db2.gz PVPXZXYGUPDDRN-LLVKDONJSA-N 0 0 323.179 3.642 10 0 DHAERN COc1cccc(CCc2cc(OC)c(OC)c(OC)c2)c1 ZINC000026575998 182446850 /nfs/dbraw/zinc/44/68/50/182446850.db2.gz NUHKDACBBFNRPM-UHFFFAOYSA-N 0 0 302.370 3.506 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCOC3(CCC3)C2)c2ccccc21 ZINC000152371270 335034124 /nfs/dbraw/zinc/03/41/24/335034124.db2.gz WRYMBSDNIJQQFS-PBHICJAKSA-N 0 0 314.429 3.590 10 0 DHAERN CO[C@H]1CCN(c2ccc(NC(=O)/C=C\c3ccccc3)cc2)C1 ZINC000101322830 193810566 /nfs/dbraw/zinc/81/05/66/193810566.db2.gz XYOPAWMWUKEQPU-DIBVOSKASA-N 0 0 322.408 3.564 10 0 DHAERN O=C(NCc1ccccc1)N1CC[C@H](c2nc3ccccc3o2)C1 ZINC000035442847 182775724 /nfs/dbraw/zinc/77/57/24/182775724.db2.gz AGIOKFMZNXSVQV-HNNXBMFYSA-N 0 0 321.380 3.527 10 0 DHAERN Nc1ccc2c(c1)CN(c1cc(Br)ccc1F)C2 ZINC000036753173 182841153 /nfs/dbraw/zinc/84/11/53/182841153.db2.gz AZIWPQKHPSZHSW-UHFFFAOYSA-N 0 0 307.166 3.691 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)Cc1ccccc1N ZINC000037367775 182884085 /nfs/dbraw/zinc/88/40/85/182884085.db2.gz GERAYEGZHDZVAD-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN COC(=O)C1(Nc2ccccc2Br)CCCCC1 ZINC000037959983 182942514 /nfs/dbraw/zinc/94/25/14/182942514.db2.gz SQQJJPWXUGGPGV-UHFFFAOYSA-N 0 0 312.207 3.737 10 0 DHAERN CSc1ccc(CN(C)C(=O)c2cccnc2Cl)cc1 ZINC000037974675 182946791 /nfs/dbraw/zinc/94/67/91/182946791.db2.gz VHVRWICWABIANG-UHFFFAOYSA-N 0 0 306.818 3.729 10 0 DHAERN O=C(c1ccc(Cl)nc1)N1CCc2sccc2[C@@H]1C1CC1 ZINC000037977982 182949676 /nfs/dbraw/zinc/94/96/76/182949676.db2.gz MCBLRQIBJJYYFF-HNNXBMFYSA-N 0 0 318.829 3.946 10 0 DHAERN Nc1ccc(NC(=O)Nc2cccc(F)c2)c(Br)c1 ZINC000038076227 182985441 /nfs/dbraw/zinc/98/54/41/182985441.db2.gz LOJVEESVSZCUGS-UHFFFAOYSA-N 0 0 324.153 3.814 10 0 DHAERN CCCCSc1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000039989181 183027112 /nfs/dbraw/zinc/02/71/12/183027112.db2.gz UBRBIAOEIJHCJY-UHFFFAOYSA-N 0 0 307.444 3.991 10 0 DHAERN CC(C)c1nc2ccccc2n1CC(=O)N(C)C1CCCCC1 ZINC000040231385 183048616 /nfs/dbraw/zinc/04/86/16/183048616.db2.gz ZWPOLLHROMMKDH-UHFFFAOYSA-N 0 0 313.445 3.951 10 0 DHAERN Cc1ccc(-c2cc(CNC(=O)c3ccc(F)cc3)on2)cc1 ZINC000040323522 183053865 /nfs/dbraw/zinc/05/38/65/183053865.db2.gz OGQJCVHDAQCAKC-UHFFFAOYSA-N 0 0 310.328 3.719 10 0 DHAERN CC(C)C[C@H](C)N(C)C(=O)c1ccc(Br)c(N)c1 ZINC000040322620 183054119 /nfs/dbraw/zinc/05/41/19/183054119.db2.gz KEWVEHPCDUIWSH-JTQLQIEISA-N 0 0 313.239 3.538 10 0 DHAERN CCN(c1ccccc1)c1ncnc(N(C)c2ccccc2)c1N ZINC000040679568 183116339 /nfs/dbraw/zinc/11/63/39/183116339.db2.gz JTQHFAJCXWYYTE-UHFFFAOYSA-N 0 0 319.412 3.985 10 0 DHAERN Nc1c(Oc2cccc3ccccc32)ncnc1N1CCCC1 ZINC000040683015 183117352 /nfs/dbraw/zinc/11/73/52/183117352.db2.gz NJSLKMHBIJICMM-UHFFFAOYSA-N 0 0 306.369 3.605 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2ccccn2)c1N ZINC000040688258 183117636 /nfs/dbraw/zinc/11/76/36/183117636.db2.gz DLXOBQZZPFQJGO-UHFFFAOYSA-N 0 0 306.373 3.503 10 0 DHAERN Cc1ccc(Oc2ncnc(NCc3ccccc3)c2N)cc1 ZINC000040709342 183120470 /nfs/dbraw/zinc/12/04/70/183120470.db2.gz QQMWSDLLPYCVFG-UHFFFAOYSA-N 0 0 306.369 3.772 10 0 DHAERN O=C(Nc1nc2ccc(Cl)cc2s1)Nc1cccnc1 ZINC000040567945 183103844 /nfs/dbraw/zinc/10/38/44/183103844.db2.gz GTEHUCJAOCJNRE-UHFFFAOYSA-N 0 0 304.762 3.989 10 0 DHAERN CNc1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040707152 183121072 /nfs/dbraw/zinc/12/10/72/183121072.db2.gz GKXLLXASDKDKFN-UHFFFAOYSA-N 0 0 307.357 3.636 10 0 DHAERN Cc1nc(Nc2ncnc(Nc3ccccc3)c2N)sc1C ZINC000040781050 183133306 /nfs/dbraw/zinc/13/33/06/183133306.db2.gz YYOXIVRASZVBMB-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN CCOc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040783679 183133637 /nfs/dbraw/zinc/13/36/37/183133637.db2.gz PUIZCNCIMPMMNI-UHFFFAOYSA-N 0 0 320.396 3.659 10 0 DHAERN COc1ccccc1Oc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040796361 183134947 /nfs/dbraw/zinc/13/49/47/183134947.db2.gz QACABYVDCLXGIR-UHFFFAOYSA-N 0 0 323.352 3.960 10 0 DHAERN Cc1ccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)nc1 ZINC000040798913 183135021 /nfs/dbraw/zinc/13/50/21/183135021.db2.gz NVLOFBHHRDRDIZ-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN CCN(CC)c1ncnc(Oc2ccc(C(C)C)cc2)c1N ZINC000040723157 183124775 /nfs/dbraw/zinc/12/47/75/183124775.db2.gz RMWGZXXBSDGDRV-UHFFFAOYSA-N 0 0 300.406 3.821 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1N1CCCCCC1 ZINC000040725519 183124924 /nfs/dbraw/zinc/12/49/24/183124924.db2.gz SSSWVIXLKYXWBQ-UHFFFAOYSA-N 0 0 317.824 3.836 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3nccs3)c2N)c1C ZINC000040755073 183129234 /nfs/dbraw/zinc/12/92/34/183129234.db2.gz MYQGCRVXSSAPMS-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN CCCCOc1ccc(-c2cn3nc(COC)sc3n2)cc1 ZINC000040963922 183152350 /nfs/dbraw/zinc/15/23/50/183152350.db2.gz AIRRKRGKYVPOLU-UHFFFAOYSA-N 0 0 317.414 3.783 10 0 DHAERN CCc1c(C(=O)OC)sc2nc(-c3ccc(C)cc3)cn21 ZINC000041005709 183156010 /nfs/dbraw/zinc/15/60/10/183156010.db2.gz DMINLLVGSHVINL-UHFFFAOYSA-N 0 0 300.383 3.720 10 0 DHAERN CCOC(=O)c1cc(Cl)c(NC(=O)CC(C)C)cc1OC ZINC000041017943 183156418 /nfs/dbraw/zinc/15/64/18/183156418.db2.gz PKOMOHPCLSVSGV-UHFFFAOYSA-N 0 0 313.781 3.510 10 0 DHAERN Cc1cc(C)c2nccc(NC(=O)COc3ccccc3)c2c1 ZINC000041057028 183160213 /nfs/dbraw/zinc/16/02/13/183160213.db2.gz NIUWTCMXEVUKQN-UHFFFAOYSA-N 0 0 306.365 3.869 10 0 DHAERN COc1ccc(C(=O)Nc2ccnc3ccc(OC)cc32)cc1 ZINC000041058054 183160745 /nfs/dbraw/zinc/16/07/45/183160745.db2.gz IRTYPEKGCXCKMS-UHFFFAOYSA-N 0 0 308.337 3.504 10 0 DHAERN O=C(Nc1ccnc2c(F)cc(F)cc12)c1ccccc1F ZINC000041058153 183161066 /nfs/dbraw/zinc/16/10/66/183161066.db2.gz SNXDEMHSXWBGSO-UHFFFAOYSA-N 0 0 302.255 3.904 10 0 DHAERN COc1ccc(C[C@@H](O)c2cccc(Br)c2)cc1 ZINC000041538341 183200404 /nfs/dbraw/zinc/20/04/04/183200404.db2.gz HCLPLMVKVCRZDN-OAHLLOKOSA-N 0 0 307.187 3.734 10 0 DHAERN COc1cccc(C[C@@H](O)c2cccc(Br)c2)c1 ZINC000041538333 183200548 /nfs/dbraw/zinc/20/05/48/183200548.db2.gz YUSKIIXQQKJISL-OAHLLOKOSA-N 0 0 307.187 3.734 10 0 DHAERN OC[C@@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000041542941 183201272 /nfs/dbraw/zinc/20/12/72/183201272.db2.gz SOIDDCQIEMQWCX-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN COc1ccc2c(c1)ncc(Br)c2Br ZINC000041702595 183218733 /nfs/dbraw/zinc/21/87/33/183218733.db2.gz RSNLPTPOUIZTPV-UHFFFAOYSA-N 0 0 316.980 3.768 10 0 DHAERN CCOCCNc1ccc(Br)cc1Br ZINC000042221247 183243602 /nfs/dbraw/zinc/24/36/02/183243602.db2.gz QLDRMZFVFRQWGS-UHFFFAOYSA-N 0 0 323.028 3.660 10 0 DHAERN Brc1ccccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000042251460 183246567 /nfs/dbraw/zinc/24/65/67/183246567.db2.gz UKZXNGOJQJGLJB-GJZGRUSLSA-N 0 0 310.235 3.593 10 0 DHAERN CCO[C@@H]1CCCN(CC(=O)c2cc(Cl)sc2Cl)C1 ZINC000042423791 183268686 /nfs/dbraw/zinc/26/86/86/183268686.db2.gz ABWYZMFBXAUIDG-SECBINFHSA-N 0 0 322.257 3.739 10 0 DHAERN FC(F)(F)c1ccccc1-c1cnc(Br)cn1 ZINC000044117637 183395051 /nfs/dbraw/zinc/39/50/51/183395051.db2.gz LHEWYDRKLNMFJC-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN COCc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000046333021 183559525 /nfs/dbraw/zinc/55/95/25/183559525.db2.gz QXABSZOVKSSGKV-STQMWFEESA-N 0 0 315.335 3.684 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1Cc2ccccc2C1 ZINC000106258047 194192683 /nfs/dbraw/zinc/19/26/83/194192683.db2.gz SBBNUBMJJLKKRW-KGLIPLIRSA-N 0 0 312.335 3.833 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1ccc(F)cc1F)C2 ZINC000106372473 194202071 /nfs/dbraw/zinc/20/20/71/194202071.db2.gz RFVORISVVSCVLH-GFCCVEGCSA-N 0 0 319.399 3.941 10 0 DHAERN COc1ccccc1C(=O)COc1cccc(Br)c1 ZINC000048102547 183621451 /nfs/dbraw/zinc/62/14/51/183621451.db2.gz NNOLMLOGSBERMI-UHFFFAOYSA-N 0 0 321.170 3.719 10 0 DHAERN COc1ccc([C@H](C)NC(=O)CC2=CCCCC2)cc1OC ZINC000106611239 194237200 /nfs/dbraw/zinc/23/72/00/194237200.db2.gz JCKSEHITSROTOB-ZDUSSCGKSA-N 0 0 303.402 3.772 10 0 DHAERN COc1ccc(Br)cc1COc1ccc(O)cc1 ZINC000049596690 183745937 /nfs/dbraw/zinc/74/59/37/183745937.db2.gz NVOFYBAITBTFIZ-UHFFFAOYSA-N 0 0 309.159 3.742 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190685288 335044233 /nfs/dbraw/zinc/04/42/33/335044233.db2.gz DZXLSHKNGPZJGS-SSDOTTSWSA-N 0 0 321.165 3.893 10 0 DHAERN Cc1ccc(NC2N=NC(=S)S2)cc1Br ZINC000057630385 184042720 /nfs/dbraw/zinc/04/27/20/184042720.db2.gz WITMHZRUVIZETP-UHFFFAOYSA-N 0 0 302.222 3.641 10 0 DHAERN COc1cc(O)c(C(=O)N2Cc3ccccc3C2)cc1C(C)C ZINC000058575903 184122799 /nfs/dbraw/zinc/12/27/99/184122799.db2.gz RFBYLLKEEZKILL-UHFFFAOYSA-N 0 0 311.381 3.680 10 0 in-vitro DHAERN Cc1c(N)cccc1-c1nc2cc(Br)ccc2[nH]1 ZINC000061857202 184190016 /nfs/dbraw/zinc/19/00/16/184190016.db2.gz CHPZCTFAGIQGCD-UHFFFAOYSA-N 0 0 302.175 3.883 10 0 DHAERN Cc1nc(-c2ccc(Br)cc2)nc(N)c1C(C)C ZINC000061687325 184182752 /nfs/dbraw/zinc/18/27/52/184182752.db2.gz FSNQOGAARCIUQP-UHFFFAOYSA-N 0 0 306.207 3.920 10 0 DHAERN CCCn1cc(C=O)c(-c2ccc(F)c(Br)c2)n1 ZINC000061689542 184182811 /nfs/dbraw/zinc/18/28/11/184182811.db2.gz PDDRDRJUVKJURG-UHFFFAOYSA-N 0 0 311.154 3.674 10 0 DHAERN Cc1ccc(C(=O)N2CCc3cn(C)c4cccc(c34)C2)cc1 ZINC000065148812 184311467 /nfs/dbraw/zinc/31/14/67/184311467.db2.gz ZLNZWBJQMPMPPN-UHFFFAOYSA-N 0 0 304.393 3.685 10 0 DHAERN COc1cccc(-c2cc3n(n2)CCCN(Cc2ccco2)C3)c1 ZINC000065270408 184320034 /nfs/dbraw/zinc/32/00/34/184320034.db2.gz SXRMBNWILWLXDY-UHFFFAOYSA-N 0 0 323.396 3.558 10 0 DHAERN CC(=O)Nc1cccc(-c2cc(O)cc(Br)c2)c1 ZINC000065343869 184325768 /nfs/dbraw/zinc/32/57/68/184325768.db2.gz YWISZBVZZXPHPT-UHFFFAOYSA-N 0 0 306.159 3.780 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)NCc1cn2c(cccc2C)n1 ZINC000069378070 184510968 /nfs/dbraw/zinc/51/09/68/184510968.db2.gz FFBAXBAPYUILLK-HNNXBMFYSA-N 0 0 322.412 3.512 10 0 DHAERN Cc1ccc(CCCC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)s1 ZINC000151384660 196672997 /nfs/dbraw/zinc/67/29/97/196672997.db2.gz YLNMYXSCWVLPDY-QAPCUYQASA-N 0 0 321.486 3.533 10 0 DHAERN Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)sc1Br ZINC000285873718 131206854 /nfs/dbraw/zinc/20/68/54/131206854.db2.gz JDAGXRRFAIECQX-GUBZILKMSA-N 0 0 304.253 3.647 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)c1c(F)ccc(F)c1F ZINC000163797543 131936355 /nfs/dbraw/zinc/93/63/55/131936355.db2.gz QTMBVBURWOUXGE-AWEZNQCLSA-N 0 0 305.299 3.911 10 0 DHAERN CCN(CCC(F)(F)F)c1nn2cc(C(C)(C)C)nc2s1 ZINC000301086559 132136341 /nfs/dbraw/zinc/13/63/41/132136341.db2.gz GMZSVLWSUOJJGA-UHFFFAOYSA-N 0 0 320.384 3.867 10 0 DHAERN FC(F)(F)c1cccnc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301189293 132138363 /nfs/dbraw/zinc/13/83/63/132138363.db2.gz LJUFALDZJMRZSV-LBPRGKRZSA-N 0 0 307.319 3.791 10 0 DHAERN O=C(Nc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 ZINC000005441715 134471199 /nfs/dbraw/zinc/47/11/99/134471199.db2.gz UJZFLKKDXQZKIN-UHFFFAOYSA-N 0 0 309.369 3.848 10 0 DHAERN O=C(Nc1ccccn1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000010343362 134496546 /nfs/dbraw/zinc/49/65/46/134496546.db2.gz YVILUPNOYFMMAY-UHFFFAOYSA-N 0 0 315.804 3.590 10 0 DHAERN CCCCCC[C@H](CC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000150971124 196610603 /nfs/dbraw/zinc/61/06/03/196610603.db2.gz ZPLNUMLCTLROOY-GJZGRUSLSA-N 0 0 320.481 3.788 10 0 DHAERN O=C(Nc1ccsc1)[C@@H]1CCC[C@@H]1C(=O)Nc1ccsc1 ZINC000156067533 332782309 /nfs/dbraw/zinc/78/23/09/332782309.db2.gz HNPRIVDGUXVTKM-BETUJISGSA-N 0 0 320.439 3.803 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000175300741 332884410 /nfs/dbraw/zinc/88/44/10/332884410.db2.gz WZYSMENYDKUKHP-SECBINFHSA-N 0 0 309.287 3.855 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(C)s2)C1 ZINC000175860357 332911043 /nfs/dbraw/zinc/91/10/43/332911043.db2.gz USOKTWLXKCGFHD-ZDUSSCGKSA-N 0 0 318.446 3.684 10 0 DHAERN Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000109082320 331509443 /nfs/dbraw/zinc/50/94/43/331509443.db2.gz HBNWUVLVVNBRNN-UONOGXRCSA-N 0 0 319.326 3.832 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000179596598 331528248 /nfs/dbraw/zinc/52/82/48/331528248.db2.gz OIPNMOMOLRZNFE-HNNXBMFYSA-N 0 0 316.445 3.836 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C\c1cncc(O)c1 ZINC000255620143 331780176 /nfs/dbraw/zinc/78/01/76/331780176.db2.gz YCMBTAXMGVHOTL-KJPDOOANSA-N 0 0 316.788 3.673 10 0 DHAERN C[C@@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)[C@@H]1CO ZINC000089856085 331821346 /nfs/dbraw/zinc/82/13/46/331821346.db2.gz QQBFADPQULWOEQ-FZKQIMNGSA-N 0 0 324.424 3.563 10 0 DHAERN CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H]1CCCC[C@H]1O ZINC000084768906 332005928 /nfs/dbraw/zinc/00/59/28/332005928.db2.gz FUWOBNQBYXYIEA-GDBMZVCRSA-N 0 0 323.864 3.576 10 0 DHAERN CC(C)[C@@H](C)NC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000084898404 332007193 /nfs/dbraw/zinc/00/71/93/332007193.db2.gz MGITXXPFTKHAFE-CYBMUJFWSA-N 0 0 317.458 3.696 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130100974 332022701 /nfs/dbraw/zinc/02/27/01/332022701.db2.gz PPEHXCSQEBHQCL-LRDDRELGSA-N 0 0 302.805 3.923 10 0 DHAERN COc1cccc(CC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000088235723 332047883 /nfs/dbraw/zinc/04/78/83/332047883.db2.gz YXNMBTOOQCXPGS-ZDUSSCGKSA-N 0 0 301.361 3.563 10 0 DHAERN COC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000091235384 332064390 /nfs/dbraw/zinc/06/43/90/332064390.db2.gz PUALTVDYYQFLEV-WDEREUQCSA-N 0 0 316.854 3.531 10 0 DHAERN Fc1cccc(N2CCCC2)c1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091979378 332098956 /nfs/dbraw/zinc/09/89/56/332098956.db2.gz UPZGOEGZWOFNQL-OALUTQOASA-N 0 0 318.436 3.569 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)CCCc1cccs1 ZINC000133271132 332138652 /nfs/dbraw/zinc/13/86/52/332138652.db2.gz MRYAITCMXZQEDP-UHFFFAOYSA-N 0 0 300.427 3.632 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)C1 ZINC000181146175 332186560 /nfs/dbraw/zinc/18/65/60/332186560.db2.gz WGNINAKQAJHXDC-WDEREUQCSA-N 0 0 317.355 3.846 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CSCC(F)(F)F)[C@@H](C)C2 ZINC000181248479 332188213 /nfs/dbraw/zinc/18/82/13/332188213.db2.gz WGFVYJVGLXDREP-HZMBPMFUSA-N 0 0 317.376 3.640 10 0 DHAERN Cc1cnc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000043384904 332269372 /nfs/dbraw/zinc/26/93/72/332269372.db2.gz ZMKVLPSMCKCONX-DTWKUNHWSA-N 0 0 307.341 3.694 10 0 DHAERN CCOc1ccc(C(C)=O)cc1CN1CCCc2c(N)cccc21 ZINC000261611572 332391295 /nfs/dbraw/zinc/39/12/95/332391295.db2.gz BDHAAVYTRQOUHZ-UHFFFAOYSA-N 0 0 324.424 3.823 10 0 DHAERN COc1cc(C)c(CN2CCCc3c(N)cccc32)cc1OC ZINC000261615892 332396990 /nfs/dbraw/zinc/39/69/90/332396990.db2.gz ADBCATOSQOSJGI-UHFFFAOYSA-N 0 0 312.413 3.547 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000151099061 332514130 /nfs/dbraw/zinc/51/41/30/332514130.db2.gz QSUDPCLLOUUHKH-YDZRNGNQSA-N 0 0 315.457 3.581 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000151553339 332587153 /nfs/dbraw/zinc/58/71/53/332587153.db2.gz CIDUSBGJZLCEQF-CVEARBPZSA-N 0 0 304.434 3.513 10 0 DHAERN c1csc([C@@H]2CCCCN2Cc2nc(C3CCCC3)no2)n1 ZINC000151739012 332608943 /nfs/dbraw/zinc/60/89/43/332608943.db2.gz JFMIKRBSKPPYKX-ZDUSSCGKSA-N 0 0 318.446 3.911 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC000177888333 332999035 /nfs/dbraw/zinc/99/90/35/332999035.db2.gz DWUFOTDIODHIRA-RDTXWAMCSA-N 0 0 311.381 3.772 10 0 DHAERN C[C@@H](COCc1ccccc1)Nc1ccc(C(F)(F)F)nn1 ZINC000179317757 333024597 /nfs/dbraw/zinc/02/45/97/333024597.db2.gz ZYURWWABESJSKS-NSHDSACASA-N 0 0 311.307 3.513 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)NCCCc2ccccn2)cc1 ZINC000179156814 333024633 /nfs/dbraw/zinc/02/46/33/333024633.db2.gz IVLJERLGCWDDJT-OAHLLOKOSA-N 0 0 311.429 3.637 10 0 DHAERN COC(=O)c1sccc1CN[C@@H](C)c1ccc(C)c(F)c1 ZINC000181348539 333030193 /nfs/dbraw/zinc/03/01/93/333030193.db2.gz GTTHFSKMZCTLTK-NSHDSACASA-N 0 0 307.390 3.833 10 0 DHAERN Cc1occc1CN(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171743180 333053565 /nfs/dbraw/zinc/05/35/65/333053565.db2.gz VLWTZZPHLKUWRY-KGLIPLIRSA-N 0 0 305.324 3.628 10 0 DHAERN CC(C(=O)N1CCC[C@H]1c1noc(C(C)C)n1)=C1CCCC1 ZINC000176674593 333117482 /nfs/dbraw/zinc/11/74/82/333117482.db2.gz OLMPNHMVFGTCHW-AWEZNQCLSA-N 0 0 303.406 3.747 10 0 DHAERN C[C@@H]1Sc2ccccc2N(Cc2nnc(C3CC3)n2C)[C@H]1C ZINC000177343763 333127485 /nfs/dbraw/zinc/12/74/85/333127485.db2.gz COHVNDOPEBXDLI-RYUDHWBXSA-N 0 0 314.458 3.582 10 0 DHAERN Cc1nc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000179052386 333145793 /nfs/dbraw/zinc/14/57/93/333145793.db2.gz KNGGVTGRCSWFMK-ZJUUUORDSA-N 0 0 306.353 3.611 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)COC(C)(C)C)C2)n1 ZINC000182033943 333148874 /nfs/dbraw/zinc/14/88/74/333148874.db2.gz FLDMHQSFAGNFEX-CYBMUJFWSA-N 0 0 324.490 3.788 10 0 DHAERN COC(=O)c1ccc(F)c(C[NH2+][C@H](C)c2ccccc2C)c1 ZINC000182104335 333149548 /nfs/dbraw/zinc/14/95/48/333149548.db2.gz XJOGAYAUEAJXTI-CYBMUJFWSA-N 0 0 301.361 3.772 10 0 DHAERN c1n[nH]cc1[C@@H]1CCCCN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688134 333154578 /nfs/dbraw/zinc/15/45/78/333154578.db2.gz ZANGGZYOERPFDD-KRWDZBQOSA-N 0 0 307.401 3.527 10 0 DHAERN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)C4CC4)C3)n2)c1 ZINC000065135362 333156410 /nfs/dbraw/zinc/15/64/10/333156410.db2.gz HTPZPODDYYUDLE-KRWDZBQOSA-N 0 0 321.424 3.568 10 0 DHAERN Cc1coc2ccc(NC(=O)N[C@H]3COc4ccccc43)cc12 ZINC000188008644 333156838 /nfs/dbraw/zinc/15/68/38/333156838.db2.gz RIGWPZJVDWWLLJ-HNNXBMFYSA-N 0 0 308.337 3.996 10 0 DHAERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000192688320 333291324 /nfs/dbraw/zinc/29/13/24/333291324.db2.gz OPZRAPYLNHRBNV-ZANVPECISA-N 0 0 304.217 3.578 10 0 DHAERN Cc1nc2scc(CC(C)C)c2c(N(C)C[C@@H]2CCCO2)n1 ZINC000110492450 333327479 /nfs/dbraw/zinc/32/74/79/333327479.db2.gz WJKBEFPKSLQOFQ-AWEZNQCLSA-N 0 0 319.474 3.813 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)c2cn3ccnc3s2)c2ccccc21 ZINC000188544101 333373194 /nfs/dbraw/zinc/37/31/94/333373194.db2.gz KVCREYRIRGDOPO-BXUZGUMPSA-N 0 0 311.410 3.764 10 0 DHAERN CSc1ccccc1S(=O)(=O)N[C@@H](C)c1cccs1 ZINC000186872570 333380164 /nfs/dbraw/zinc/38/01/64/333380164.db2.gz NATYNZYRGGBLKZ-JTQLQIEISA-N 0 0 313.469 3.510 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1cc(F)c([O-])c(F)c1 ZINC000186981938 333382995 /nfs/dbraw/zinc/38/29/95/333382995.db2.gz CNXJYXJMHDLCKF-OAHLLOKOSA-N 0 0 321.298 3.617 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2c(C)cccc2Br)o1 ZINC000311881665 333390622 /nfs/dbraw/zinc/39/06/22/333390622.db2.gz NFMMTZVMYDVOAW-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccccc1N ZINC000021499857 333422934 /nfs/dbraw/zinc/42/29/34/333422934.db2.gz CUOHCJWCVHGTCE-LLVKDONJSA-N 0 0 304.777 3.637 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2)o1 ZINC000021839757 333456205 /nfs/dbraw/zinc/45/62/05/333456205.db2.gz VOUWBJAMJRAGFJ-AWEZNQCLSA-N 0 0 309.365 3.997 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000125682579 333512340 /nfs/dbraw/zinc/51/23/40/333512340.db2.gz JEORJQBKENINKI-GHMZBOCLSA-N 0 0 320.742 3.894 10 0 DHAERN CCOC(=O)[C@@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000049367283 334326772 /nfs/dbraw/zinc/32/67/72/334326772.db2.gz VBKDMCRMROQGIR-JGVFFNPUSA-N 0 0 308.180 3.735 10 0 DHAERN Fc1cc(Br)ccc1CN[C@@H]1COc2ccccc21 ZINC000070070195 334360893 /nfs/dbraw/zinc/36/08/93/334360893.db2.gz YQPQPLYCEKNGFI-CQSZACIVSA-N 0 0 322.177 3.812 10 0 DHAERN C[C@H](NC(=O)Cc1cncs1)c1ccc(Cl)c(Cl)c1 ZINC000187977001 334606560 /nfs/dbraw/zinc/60/65/60/334606560.db2.gz RLEGFYARMLYFSU-QMMMGPOBSA-N 0 0 315.225 3.870 10 0 DHAERN CC1(C)CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000112741850 334724317 /nfs/dbraw/zinc/72/43/17/334724317.db2.gz MKAOAKYPNYBQFB-NWDGAFQWSA-N 0 0 306.372 3.939 10 0 DHAERN CN(C)c1nc2ccc(N[C@H]3CCCC34CCOCC4)cc2o1 ZINC000328657289 334746079 /nfs/dbraw/zinc/74/60/79/334746079.db2.gz OSAOAHVGMCFAKH-INIZCTEOSA-N 0 0 315.417 3.655 10 0 DHAERN CC(C)[C@@H]1N(c2ncnc3c4ccccc4oc32)C[C@@]12CCCO2 ZINC000328752212 334751592 /nfs/dbraw/zinc/75/15/92/334751592.db2.gz NHHMROWKGPQXMP-HKUYNNGSSA-N 0 0 323.396 3.770 10 0 DHAERN C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000113232274 335261358 /nfs/dbraw/zinc/26/13/58/335261358.db2.gz AZMUIFXWDIGMPN-OXJNMPFZSA-N 0 0 320.436 3.662 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cc(-c2ccccc2)no1 ZINC000033159229 335646494 /nfs/dbraw/zinc/64/64/94/335646494.db2.gz PQLYXCZTUMBGNO-OAHLLOKOSA-N 0 0 320.348 3.595 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000191747549 335842037 /nfs/dbraw/zinc/84/20/37/335842037.db2.gz SLVYJZNSPDHXEG-MFKMUULPSA-N 0 0 320.389 3.703 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)CCc1cnc2ccccc2n1 ZINC000583653030 336025099 /nfs/dbraw/zinc/02/50/99/336025099.db2.gz XFHFSWXLVDMEGF-OAHLLOKOSA-N 0 0 313.445 3.895 10 0 DHAERN CC(C)c1ncsc1NC(=O)N1C[C@@]2(CCCO2)[C@H]1C(C)C ZINC000333061149 336197555 /nfs/dbraw/zinc/19/75/55/336197555.db2.gz DFRXCTZVRDYKLE-CJNGLKHVSA-N 0 0 323.462 3.688 10 0 DHAERN Cc1c(Cl)cncc1NC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000333080105 336197777 /nfs/dbraw/zinc/19/77/77/336197777.db2.gz LVADIVXLSUIBKO-GHMZBOCLSA-N 0 0 308.809 3.623 10 0 DHAERN CCn1c(SCc2oc(C(C)C)nc2C)nnc1C1CC1 ZINC000333102189 336197981 /nfs/dbraw/zinc/19/79/81/336197981.db2.gz VLPYLJGJCQQVBJ-UHFFFAOYSA-N 0 0 306.435 3.888 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccoc1Br ZINC000193306582 336212507 /nfs/dbraw/zinc/21/25/07/336212507.db2.gz ASVOCLRLLRXTQC-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN COc1cccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1O ZINC000042253196 336237955 /nfs/dbraw/zinc/23/79/55/336237955.db2.gz PKKBEWFUYMTICD-JTQLQIEISA-N 0 0 305.761 3.545 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000103390881 336241430 /nfs/dbraw/zinc/24/14/30/336241430.db2.gz SITWCRUCUCWIGZ-HUUCEWRRSA-N 0 0 307.434 3.571 10 0 DHAERN CC(C)CCN(C(=O)N[C@H]1CCOc2ccccc21)C1CC1 ZINC000043165263 336246585 /nfs/dbraw/zinc/24/65/85/336246585.db2.gz GANXGFDOIDNNSD-INIZCTEOSA-N 0 0 302.418 3.730 10 0 DHAERN O=C1N[C@@H](c2ccccc2)C(=O)N1c1cccc2ccccc21 ZINC000192862459 336274860 /nfs/dbraw/zinc/27/48/60/336274860.db2.gz HILHDMIKTRCRDQ-KRWDZBQOSA-N 0 0 302.333 3.637 10 0 DHAERN CCn1c(CCNc2ncnc3ccccc32)nc2ccccc21 ZINC000301075101 336288626 /nfs/dbraw/zinc/28/86/26/336288626.db2.gz GFHFLFMBDIZYQU-UHFFFAOYSA-N 0 0 317.396 3.654 10 0 DHAERN FC(F)(F)c1cccc(N[C@@H]2CCN(c3ccccc3)C2)n1 ZINC000301192550 336294186 /nfs/dbraw/zinc/29/41/86/336294186.db2.gz MUBRCITURRVFPC-GFCCVEGCSA-N 0 0 307.319 3.791 10 0 DHAERN CC[C@@H]1COCCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC000301263460 336297445 /nfs/dbraw/zinc/29/74/45/336297445.db2.gz BZRBIUVYLYBSJZ-MRXNPFEDSA-N 0 0 319.408 3.912 10 0 DHAERN c1ccc(OC[C@@H]2CCCN(c3ncnc4ccccc43)C2)cc1 ZINC000301286074 336298768 /nfs/dbraw/zinc/29/87/68/336298768.db2.gz MTJFACZTGIXAAA-MRXNPFEDSA-N 0 0 319.408 3.925 10 0 DHAERN Fc1c(NCCOC[C@@H]2CCCO2)ccc2c(Cl)ccnc12 ZINC000301308807 336300049 /nfs/dbraw/zinc/30/00/49/336300049.db2.gz XAPASTXPGWWSPW-NSHDSACASA-N 0 0 324.783 3.635 10 0 DHAERN CCc1cc2c(ncnc2N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)s1 ZINC000301347289 336301839 /nfs/dbraw/zinc/30/18/39/336301839.db2.gz KCJWUWVMKFOJQM-IACUBPJLSA-N 0 0 317.458 3.503 10 0 DHAERN Clc1cccc([C@H]2C[C@@H]2Nc2ncc(Br)cn2)c1 ZINC000301379268 336303528 /nfs/dbraw/zinc/30/35/28/336303528.db2.gz XQUCNQPNYQNNQP-NEPJUHHUSA-N 0 0 324.609 3.861 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000301419270 336305453 /nfs/dbraw/zinc/30/54/53/336305453.db2.gz DHCZXWWEFCLSIE-RDJZCZTQSA-N 0 0 321.424 3.885 10 0 DHAERN C1=CC[C@@H]2CN(c3ncnc4sc5c(c43)CCCC5)C[C@@H]2C1 ZINC000301424554 336305750 /nfs/dbraw/zinc/30/57/50/336305750.db2.gz OOIXRGQLGOFBIA-BETUJISGSA-N 0 0 311.454 3.973 10 0 DHAERN Nc1nc(Cl)cc(N[C@@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000301426708 336305963 /nfs/dbraw/zinc/30/59/63/336305963.db2.gz PEBRVFGYWZCRDT-NWDGAFQWSA-N 0 0 306.772 3.600 10 0 DHAERN CN(CCCn1ccnc1)c1ccc2c(Cl)ccnc2c1F ZINC000301698328 336324147 /nfs/dbraw/zinc/32/41/47/336324147.db2.gz OHSKLNALQHAGOZ-UHFFFAOYSA-N 0 0 318.783 3.750 10 0 DHAERN CC(C)c1nsc(NCCc2ccc(Br)o2)n1 ZINC000301697548 336324193 /nfs/dbraw/zinc/32/41/93/336324193.db2.gz NUYBIHWHIVODIY-UHFFFAOYSA-N 0 0 316.224 3.672 10 0 DHAERN CC[C@@H](Nc1nccc(Oc2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000301843167 336333606 /nfs/dbraw/zinc/33/36/06/336333606.db2.gz KLJUWKIDHLOZQE-CABCVRRESA-N 0 0 317.364 3.778 10 0 DHAERN C[C@@H](Nc1nc2ccccc2[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000301850599 336334031 /nfs/dbraw/zinc/33/40/31/336334031.db2.gz AZNMNRWFEPJCLC-CQSZACIVSA-N 0 0 317.396 3.981 10 0 DHAERN Cc1cc(N(CCO)Cc2ccsc2)c2cccc(F)c2n1 ZINC000301852140 336334096 /nfs/dbraw/zinc/33/40/96/336334096.db2.gz XMJVVJOLKOPVCK-UHFFFAOYSA-N 0 0 316.401 3.743 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301855442 336334431 /nfs/dbraw/zinc/33/44/31/336334431.db2.gz CUDMWAFNJLUUQI-ZFWWWQNUSA-N 0 0 307.397 3.954 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301855438 336334449 /nfs/dbraw/zinc/33/44/49/336334449.db2.gz CUDMWAFNJLUUQI-HIFRSBDPSA-N 0 0 307.397 3.954 10 0 DHAERN Fc1cccc(N2CCC(Nc3nc4ccccc4[nH]3)CC2)c1 ZINC000301899252 336337059 /nfs/dbraw/zinc/33/70/59/336337059.db2.gz XRJODKWMIOXEAW-UHFFFAOYSA-N 0 0 310.376 3.783 10 0 DHAERN COc1cc(F)cc(Nc2ncnc3nc(SC)sc32)c1 ZINC000301952155 336339643 /nfs/dbraw/zinc/33/96/43/336339643.db2.gz IBGQTXHIUDMNLN-UHFFFAOYSA-N 0 0 322.390 3.700 10 0 DHAERN C[C@@H]1CN(C)c2ccccc2CN1c1ncnc2ccc(F)cc21 ZINC000301957271 336339867 /nfs/dbraw/zinc/33/98/67/336339867.db2.gz NGZARMOAVBTLSK-CYBMUJFWSA-N 0 0 322.387 3.614 10 0 DHAERN CCOC(=O)c1sc(N[C@H]2CC[C@@H](SCC)C2)nc1C ZINC000302001980 336342421 /nfs/dbraw/zinc/34/24/21/336342421.db2.gz JICHWWMQIYTBLZ-WDEREUQCSA-N 0 0 314.476 3.714 10 0 DHAERN CCc1cc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc(C)n1 ZINC000302066397 336346533 /nfs/dbraw/zinc/34/65/33/336346533.db2.gz CXAXGVPZVYVSTQ-AWEZNQCLSA-N 0 0 321.428 3.765 10 0 DHAERN COc1cc([C@H](C)Nc2nc(C)nc3c2CCCC3)ccc1F ZINC000302111624 336348917 /nfs/dbraw/zinc/34/89/17/336348917.db2.gz UMSHHLUBGCVCAZ-NSHDSACASA-N 0 0 315.392 3.985 10 0 DHAERN C[C@H]1SCCN(c2nnc(Cc3ccc(F)cc3)s2)[C@H]1C ZINC000302121914 336349517 /nfs/dbraw/zinc/34/95/17/336349517.db2.gz UUEGBBUXEIGRHD-WDEREUQCSA-N 0 0 323.462 3.598 10 0 DHAERN Cc1nc2c(c(N[C@@H]3CCOC4(CCCC4)C3)n1)CCCC2 ZINC000302124003 336349698 /nfs/dbraw/zinc/34/96/98/336349698.db2.gz ZBAMYTMJZRQFHK-CQSZACIVSA-N 0 0 301.434 3.568 10 0 DHAERN Cc1ccc2c(c1)[C@H](Nc1ccc(S(C)(=O)=O)cc1)[C@@H](C)C2 ZINC000302124788 336349743 /nfs/dbraw/zinc/34/97/43/336349743.db2.gz FMJSQZAVWDWSLY-SCLBCKFNSA-N 0 0 315.438 3.744 10 0 DHAERN Cc1nc(CN(C)c2ccc3c(Cl)ccc(C)c3n2)no1 ZINC000302186925 336352940 /nfs/dbraw/zinc/35/29/40/336352940.db2.gz PTRTZQSWHUMWHT-UHFFFAOYSA-N 0 0 302.765 3.524 10 0 DHAERN C[C@@H](Nc1nccn2c1nnc2C1CC1)c1cccc(Cl)c1 ZINC000302191682 336353279 /nfs/dbraw/zinc/35/32/79/336353279.db2.gz BPIZCXFXPJBRCG-SNVBAGLBSA-N 0 0 313.792 3.828 10 0 DHAERN C[C@H](Nc1nccn2c1nnc2C1CC1)c1ccc(Cl)cc1 ZINC000302225125 336354885 /nfs/dbraw/zinc/35/48/85/336354885.db2.gz VDTUEFTWZFDLBI-JTQLQIEISA-N 0 0 313.792 3.828 10 0 DHAERN Cc1cncc(N[C@H]2C[C@H]2c2ccc(Br)cc2)n1 ZINC000302245525 336356004 /nfs/dbraw/zinc/35/60/04/336356004.db2.gz ZZBUGTNYVZLGAD-STQMWFEESA-N 0 0 304.191 3.516 10 0 DHAERN COc1cc(Nc2nn3cc(C(C)(C)C)nc3s2)ccc1F ZINC000302498874 336360105 /nfs/dbraw/zinc/36/01/05/336360105.db2.gz CFYJOABUGDHAED-UHFFFAOYSA-N 0 0 320.393 3.980 10 0 DHAERN O=C1CCc2cc(Oc3ccnc(Cc4ccccc4)n3)ccc21 ZINC000302567008 336361800 /nfs/dbraw/zinc/36/18/00/336361800.db2.gz WUYFVBZFUNPLBC-UHFFFAOYSA-N 0 0 316.360 3.989 10 0 DHAERN Clc1cncnc1N[C@@H]1C[C@@H]1c1ccccc1Br ZINC000302617822 336362661 /nfs/dbraw/zinc/36/26/61/336362661.db2.gz GHEIJJZQJRJOMI-BXKDBHETSA-N 0 0 324.609 3.861 10 0 DHAERN CCc1csc([C@H]2CCCN(c3ncncc3Cl)C2)n1 ZINC000302672089 336364278 /nfs/dbraw/zinc/36/42/78/336364278.db2.gz RXCJWIAUBSCVGM-JTQLQIEISA-N 0 0 308.838 3.533 10 0 DHAERN C[C@H](Nc1ncnc(N)c1Cl)c1ccc(F)c(Cl)c1 ZINC000302873056 336372678 /nfs/dbraw/zinc/37/26/78/336372678.db2.gz CHNCEDDBLAXMBV-LURJTMIESA-N 0 0 301.152 3.678 10 0 DHAERN CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@H]2c2ccco2)CCO1 ZINC000367168843 336464836 /nfs/dbraw/zinc/46/48/36/336464836.db2.gz XMEQVCKUHYVPJF-YCPHGPKFSA-N 0 0 320.433 3.720 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)CC3CCCC3)C2)c1 ZINC000114331122 336553891 /nfs/dbraw/zinc/55/38/91/336553891.db2.gz XILCDBONHZETJO-WBVHZDCISA-N 0 0 303.450 3.571 10 0 DHAERN C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccco1)Oc1ccccc1 ZINC000116432753 336840275 /nfs/dbraw/zinc/84/02/75/336840275.db2.gz DUQWFZDDNNYGIZ-GOEBONIOSA-N 0 0 314.385 3.594 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116647194 336843541 /nfs/dbraw/zinc/84/35/41/336843541.db2.gz FMUQCZYXNNFGSE-HZPDHXFCSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2c1C ZINC000116764877 336845393 /nfs/dbraw/zinc/84/53/93/336845393.db2.gz LAZGDZSTFAFELB-GOSISDBHSA-N 0 0 322.412 3.875 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119116620 336880500 /nfs/dbraw/zinc/88/05/00/336880500.db2.gz USQXYVIRUUQPFB-LRDDRELGSA-N 0 0 324.465 3.986 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000119229213 336883298 /nfs/dbraw/zinc/88/32/98/336883298.db2.gz DXHSOTNNZCCBAM-MAZHCROVSA-N 0 0 303.450 3.527 10 0 DHAERN C[C@@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1c(F)cccc1F ZINC000122012590 336990427 /nfs/dbraw/zinc/99/04/27/336990427.db2.gz WFPIHINKPYGCHX-IAQYHMDHSA-N 0 0 319.355 3.545 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O1 ZINC000122256189 337000391 /nfs/dbraw/zinc/00/03/91/337000391.db2.gz BYMURXLCXAZCFD-RDDDGLTNSA-N 0 0 307.699 3.865 10 0 DHAERN CCCCCC[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122401068 337007898 /nfs/dbraw/zinc/00/78/98/337007898.db2.gz HRHPGQIRLJBVHK-INIZCTEOSA-N 0 0 320.481 3.664 10 0 DHAERN Fc1cc2ncc(N3CCC[C@@H]3c3ccco3)nc2cc1F ZINC000123027743 337034204 /nfs/dbraw/zinc/03/42/04/337034204.db2.gz JDPUUMIZYGGTQK-CQSZACIVSA-N 0 0 301.296 3.843 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000193852505 337079549 /nfs/dbraw/zinc/07/95/49/337079549.db2.gz DTSSSERTCCLRAN-JBLDHEPKSA-N 0 0 316.228 3.843 10 0 DHAERN Cc1nc([C@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000170497308 337083218 /nfs/dbraw/zinc/08/32/18/337083218.db2.gz KQZHPMLPMPLTTK-QMMMGPOBSA-N 0 0 314.332 3.961 10 0 DHAERN Cc1cc(N2CCCC2)ccc1NC(=O)N1CCS[C@@H](C)C1 ZINC000171362015 337086340 /nfs/dbraw/zinc/08/63/40/337086340.db2.gz FEVTXBULWUKQDB-AWEZNQCLSA-N 0 0 319.474 3.564 10 0 DHAERN Cc1[nH]c2c(cccc2C(=O)N2CCO[C@H]3CCCC[C@@H]32)c1C ZINC000171022608 337086612 /nfs/dbraw/zinc/08/66/12/337086612.db2.gz BRQUQMPCICBESV-IRXDYDNUSA-N 0 0 312.413 3.568 10 0 DHAERN Cc1csc([C@@H]2CCCN(Cc3cn4ccsc4n3)C2)n1 ZINC000171081268 337086659 /nfs/dbraw/zinc/08/66/59/337086659.db2.gz RKECWVSSJSYUGJ-GFCCVEGCSA-N 0 0 318.471 3.540 10 0 DHAERN C/C(=C\C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccc(F)c1 ZINC000172122302 337090010 /nfs/dbraw/zinc/09/00/10/337090010.db2.gz VGOUTYDRAJNGMO-VEMDQMBVSA-N 0 0 313.376 3.706 10 0 DHAERN C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000172035738 337091029 /nfs/dbraw/zinc/09/10/29/337091029.db2.gz UETBRFCAWMREAS-OLZOCXBDSA-N 0 0 301.411 3.882 10 0 DHAERN Fc1cc(CN2CCC[C@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027498 337091046 /nfs/dbraw/zinc/09/10/46/337091046.db2.gz ZACNGUSEOXGJMM-HNNXBMFYSA-N 0 0 303.333 3.622 10 0 DHAERN Cc1noc(-c2ccccc2C(=O)N[C@H](C)c2cccs2)n1 ZINC000172686174 337129617 /nfs/dbraw/zinc/12/96/17/337129617.db2.gz BTWCBBKDNLUJRR-SNVBAGLBSA-N 0 0 313.382 3.598 10 0 DHAERN Cc1noc(-c2ccccc2C(=O)N[C@@H](C)c2cccs2)n1 ZINC000172686170 337129629 /nfs/dbraw/zinc/12/96/29/337129629.db2.gz BTWCBBKDNLUJRR-JTQLQIEISA-N 0 0 313.382 3.598 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)n1 ZINC000173071406 337131951 /nfs/dbraw/zinc/13/19/51/337131951.db2.gz ZBLPXPVHKKCHQP-MRXNPFEDSA-N 0 0 314.454 3.709 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000173096784 337132144 /nfs/dbraw/zinc/13/21/44/337132144.db2.gz YRRUTUSLEJEDIX-KRWDZBQOSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C3CCCCCCC3)C2)c1 ZINC000172907417 337132268 /nfs/dbraw/zinc/13/22/68/337132268.db2.gz KWFQCLUTVKVELU-QGZVFWFLSA-N 0 0 303.450 3.716 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000173121313 337134477 /nfs/dbraw/zinc/13/44/77/337134477.db2.gz ZLSCOGWIXIJUIB-CVEARBPZSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2)n1 ZINC000173417483 337135222 /nfs/dbraw/zinc/13/52/22/337135222.db2.gz VIZBEIRXNXVNMY-NSHDSACASA-N 0 0 321.833 3.520 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ncc(C)s3)C2)n1 ZINC000173426839 337135262 /nfs/dbraw/zinc/13/52/62/337135262.db2.gz AUTWQDKHASWDAH-LLVKDONJSA-N 0 0 322.459 3.628 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCCOCC2CC2)o1 ZINC000173536576 337136259 /nfs/dbraw/zinc/13/62/59/337136259.db2.gz KGBSBDDXGIGHPA-INIZCTEOSA-N 0 0 320.433 3.641 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)/C=C/C2CCCCC2)no1 ZINC000173596173 337136781 /nfs/dbraw/zinc/13/67/81/337136781.db2.gz CSOATSYDPLJEBM-NKSUMMKUSA-N 0 0 317.433 3.993 10 0 DHAERN COCCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173956493 337137900 /nfs/dbraw/zinc/13/79/00/337137900.db2.gz HPCGJXWCHVIOCS-CQSZACIVSA-N 0 0 324.490 3.789 10 0 DHAERN CCCCOCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173966052 337137954 /nfs/dbraw/zinc/13/79/54/337137954.db2.gz NSYVIMPNWAVFRM-CQSZACIVSA-N 0 0 324.490 3.789 10 0 DHAERN CCC[C@H](CC)NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000174415241 337141782 /nfs/dbraw/zinc/14/17/82/337141782.db2.gz VWJAKUTZVUNMLG-KGLIPLIRSA-N 0 0 309.479 3.919 10 0 DHAERN O=C(NCCc1cc(F)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000174874441 337145023 /nfs/dbraw/zinc/14/50/23/337145023.db2.gz LENOJAQJPVOKCM-HNNXBMFYSA-N 0 0 320.339 3.647 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@H](C)C(C)C)C2)n1 ZINC000175208101 337146281 /nfs/dbraw/zinc/14/62/81/337146281.db2.gz VMYUBIDUNRYDQN-JSGCOSHPSA-N 0 0 309.479 3.633 10 0 DHAERN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000175704332 337147148 /nfs/dbraw/zinc/14/71/48/337147148.db2.gz ZZVDNIXBVPRCNL-HUUCEWRRSA-N 0 0 317.360 3.940 10 0 DHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(C)o2)s1 ZINC000175980014 337149949 /nfs/dbraw/zinc/14/99/49/337149949.db2.gz LFKFATBCJIVWNZ-ONGXEEELSA-N 0 0 308.403 3.551 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(OC)cs2)C12CCCC2 ZINC000176892070 337153536 /nfs/dbraw/zinc/15/35/36/337153536.db2.gz FNNJIEUZGDQEEL-HUUCEWRRSA-N 0 0 323.458 3.567 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3oc(C)cc3C)C2)n1 ZINC000176945762 337153802 /nfs/dbraw/zinc/15/38/02/337153802.db2.gz NTOIVOVEDYYKTE-ZDUSSCGKSA-N 0 0 304.415 3.681 10 0 DHAERN CC(C)CC[C@H](C)NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177341948 337157030 /nfs/dbraw/zinc/15/70/30/337157030.db2.gz CIACHBPKVTUAJP-KBPBESRZSA-N 0 0 322.453 3.864 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cc(F)c(Cl)cc1Cl ZINC000177932095 337159189 /nfs/dbraw/zinc/15/91/89/337159189.db2.gz MKUUQNAYUDHBSH-UJVNDKKSSA-N 0 0 320.191 3.877 10 0 DHAERN C[C@H](N[C@@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076280 337160342 /nfs/dbraw/zinc/16/03/42/337160342.db2.gz DUDHZMQTNVHVNS-XJKSGUPXSA-N 0 0 310.445 3.688 10 0 DHAERN Cc1sc2ncnc(SCc3nnc(C4CC4)[nH]3)c2c1C ZINC000179648505 337170885 /nfs/dbraw/zinc/17/08/85/337170885.db2.gz ZEGFOUVWOBULHD-UHFFFAOYSA-N 0 0 317.443 3.596 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1csc(C)c1C ZINC000180062744 337173349 /nfs/dbraw/zinc/17/33/49/337173349.db2.gz QUQPRSQNSPRBHN-HNNXBMFYSA-N 0 0 317.458 3.693 10 0 DHAERN Cc1nc(CCNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)sc1C ZINC000180464767 337174838 /nfs/dbraw/zinc/17/48/38/337174838.db2.gz BRZYZFAIAXWUEQ-BXUZGUMPSA-N 0 0 308.491 3.881 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180205813 337175242 /nfs/dbraw/zinc/17/52/42/337175242.db2.gz CTGILSQYDFXYDY-GHMZBOCLSA-N 0 0 321.364 3.745 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180205782 337175313 /nfs/dbraw/zinc/17/53/13/337175313.db2.gz CTGILSQYDFXYDY-WDEREUQCSA-N 0 0 321.364 3.745 10 0 DHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000180599032 337176505 /nfs/dbraw/zinc/17/65/05/337176505.db2.gz QDYALRARXYAUNH-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000180581984 337176569 /nfs/dbraw/zinc/17/65/69/337176569.db2.gz WNDQZUXUMOFNHC-FRFSOERESA-N 0 0 305.393 3.525 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180887826 337178381 /nfs/dbraw/zinc/17/83/81/337178381.db2.gz BIKINRAGWSGSML-AWEZNQCLSA-N 0 0 321.428 3.519 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000182484499 337188579 /nfs/dbraw/zinc/18/85/79/337188579.db2.gz PUHAYYJLNGZKFK-HIFRSBDPSA-N 0 0 316.445 3.789 10 0 DHAERN C[C@@H](N[C@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931483 337190745 /nfs/dbraw/zinc/19/07/45/337190745.db2.gz MKAODLILIXWWBB-RHSMWYFYSA-N 0 0 308.381 3.726 10 0 DHAERN C[C@H](N[C@@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931427 337190797 /nfs/dbraw/zinc/19/07/97/337190797.db2.gz MKAODLILIXWWBB-YOEHRIQHSA-N 0 0 308.381 3.726 10 0 DHAERN CCC[C@@H](NC(=O)CN[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091599 337191402 /nfs/dbraw/zinc/19/14/02/337191402.db2.gz ZZZDLUJVXLDUJT-NVXWUHKLSA-N 0 0 314.429 3.896 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCC(n3ccnc3)CC2)CC(C)(C)C1 ZINC000183536022 337192228 /nfs/dbraw/zinc/19/22/28/337192228.db2.gz HVWPIZJYUCIVNY-LSDHHAIUSA-N 0 0 303.450 3.509 10 0 DHAERN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CCS1 ZINC000184411113 337197053 /nfs/dbraw/zinc/19/70/53/337197053.db2.gz FYIVCMCMKGHAJE-MRVPVSSYSA-N 0 0 323.767 3.936 10 0 DHAERN Cc1nc(C(=O)N[C@@H]2COc3ccccc32)c(-c2ccccc2)o1 ZINC000184458484 337198946 /nfs/dbraw/zinc/19/89/46/337198946.db2.gz GDTFCHANTWYBNT-OAHLLOKOSA-N 0 0 320.348 3.514 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2cccc(Br)c2C)o1 ZINC000226613673 337200020 /nfs/dbraw/zinc/20/00/20/337200020.db2.gz ODDLXZGTKJPDSU-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN CC(C)[C@H](C)NC(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000185485071 337205801 /nfs/dbraw/zinc/20/58/01/337205801.db2.gz LIUFETMHLRREJK-INIZCTEOSA-N 0 0 318.461 3.717 10 0 DHAERN CC(C)n1ccnc1C[S@@](=O)Cc1ccc(C(F)F)cc1 ZINC000185530234 337248878 /nfs/dbraw/zinc/24/88/78/337248878.db2.gz IJWNLTBNFXSZOE-NRFANRHFSA-N 0 0 312.385 3.851 10 0 DHAERN CCC1(C(=O)N2CCC[C@H](Cc3noc(C)n3)C2)CCCCC1 ZINC000185828384 337250527 /nfs/dbraw/zinc/25/05/27/337250527.db2.gz JQPDZDPJCXWWPT-OAHLLOKOSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CNc2nnc(C(C)(C)C)o2)cc1 ZINC000185886296 337252293 /nfs/dbraw/zinc/25/22/93/337252293.db2.gz SOAFOKOGGQONRW-UHFFFAOYSA-N 0 0 311.389 3.678 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000185880206 337252372 /nfs/dbraw/zinc/25/23/72/337252372.db2.gz JQBHVMIWEVHSCB-AUUYWEPGSA-N 0 0 313.397 3.508 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(-c3cc[nH]n3)c2)o1 ZINC000185978858 337253597 /nfs/dbraw/zinc/25/35/97/337253597.db2.gz ISHMZGHPMDTGSJ-GFCCVEGCSA-N 0 0 310.357 3.861 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186191863 337254360 /nfs/dbraw/zinc/25/43/60/337254360.db2.gz JTJNOUOUPAZMPT-SJORKVTESA-N 0 0 324.472 3.959 10 0 DHAERN Cn1nccc1C1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000187863168 337268442 /nfs/dbraw/zinc/26/84/42/337268442.db2.gz DUSJRPZHKBYHFA-UHFFFAOYSA-N 0 0 323.440 3.707 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000188996548 337276342 /nfs/dbraw/zinc/27/63/42/337276342.db2.gz MPTZXHXVNHXCKV-QAPCUYQASA-N 0 0 324.424 3.620 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2cc(C)cc(Br)c2)o1 ZINC000231793770 337278520 /nfs/dbraw/zinc/27/85/20/337278520.db2.gz YBWQMVUJGNBNBX-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190423790 337287657 /nfs/dbraw/zinc/28/76/57/337287657.db2.gz ZCUSWNOBNXFFDZ-WPRPVWTQSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000190627335 337289211 /nfs/dbraw/zinc/28/92/11/337289211.db2.gz CSQHUELDBXWIAW-WDMOLILDSA-N 0 0 315.335 3.698 10 0 DHAERN CCCn1ccc2cc(NC(=O)[C@@H]3CCCO[C@H]3C)ccc21 ZINC000190805527 337291012 /nfs/dbraw/zinc/29/10/12/337291012.db2.gz RSUUMUPUTRGBMV-XJKSGUPXSA-N 0 0 300.402 3.805 10 0 DHAERN C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317445 337295891 /nfs/dbraw/zinc/29/58/91/337295891.db2.gz WTOBZONEUSYHMP-NXEZZACHSA-N 0 0 310.854 3.741 10 0 DHAERN C[C@H](NC(=O)Nc1ccc2c(c1)CCC(=O)N2)c1cccs1 ZINC000192955844 337308659 /nfs/dbraw/zinc/30/86/59/337308659.db2.gz VHOJJLYGCRZSEP-JTQLQIEISA-N 0 0 315.398 3.516 10 0 DHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C=C[C@@H]4[C@H]3CC[C@]12C ZINC000584602338 337371038 /nfs/dbraw/zinc/37/10/38/337371038.db2.gz FVCJMSRPLVACPV-WSIJOFGPSA-N 0 0 318.457 3.708 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(/Br)c1ccc(F)cc1 ZINC000584610267 337372035 /nfs/dbraw/zinc/37/20/35/337372035.db2.gz VYBMAQWBDHIUPZ-JXMROGBWSA-N 0 0 323.108 3.760 10 0 DHAERN CCCCN1OC(CN)=N[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000584614153 337372656 /nfs/dbraw/zinc/37/26/56/337372656.db2.gz VSCMXXFINMZQBT-IBGZPJMESA-N 0 0 309.413 3.757 10 0 DHAERN CCOC(=O)/C=C/C=C/c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000584598116 337374537 /nfs/dbraw/zinc/37/45/37/337374537.db2.gz CJZFNULZJZBIJE-CDJQDVQCSA-N 0 0 302.370 3.774 10 0 DHAERN OC(COc1cccc(Cl)c1)COc1cccc(Cl)c1 ZINC000584627917 337376329 /nfs/dbraw/zinc/37/63/29/337376329.db2.gz RLIREGTXQRVNLJ-UHFFFAOYSA-N 0 0 313.180 3.812 10 0 DHAERN CC[C@H](c1ccccn1)[C@@](C)(O)c1ccc(OC)c(OC)c1 ZINC000584629684 337376623 /nfs/dbraw/zinc/37/66/23/337376623.db2.gz OGLZDUOCSLXGSL-KDOFPFPSSA-N 0 0 301.386 3.500 10 0 DHAERN Cc1ccc2c(N)c(C(=O)c3ncc(Cl)cc3Cl)oc2n1 ZINC000584655206 337377830 /nfs/dbraw/zinc/37/78/30/337377830.db2.gz ARRSTSAZOGORFY-UHFFFAOYSA-N 0 0 322.151 3.651 10 0 DHAERN Cc1nc2c(Br)sc([Si](C)(C)C)c2nc1C ZINC000584637849 337379588 /nfs/dbraw/zinc/37/95/88/337379588.db2.gz AEITWDVQGPTFLJ-UHFFFAOYSA-N 0 0 315.312 3.616 10 0 DHAERN CC(C)(C)OC(=O)N[C@H](CN1CCC1)c1ccc(Cl)cc1 ZINC000584644079 337380280 /nfs/dbraw/zinc/38/02/80/337380280.db2.gz QWGFNDNDDXIBCD-CQSZACIVSA-N 0 0 310.825 3.612 10 0 DHAERN CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCC1=O ZINC000584650983 337380869 /nfs/dbraw/zinc/38/08/69/337380869.db2.gz ZYFDDMIUIWHEAL-LBPRGKRZSA-N 0 0 300.185 3.858 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC000105846868 337386776 /nfs/dbraw/zinc/38/67/76/337386776.db2.gz ZLIVEFPCWYSCSU-KRWDZBQOSA-N 0 0 311.429 3.631 10 0 DHAERN C[C@]1(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1(Cl)Cl ZINC000029278828 337389138 /nfs/dbraw/zinc/38/91/38/337389138.db2.gz CILRDJLOSNFHTB-CYBMUJFWSA-N 0 0 310.184 3.599 10 0 DHAERN CC(C)(C)c1ncc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000113887184 337391298 /nfs/dbraw/zinc/39/12/98/337391298.db2.gz BZEKBLWQPCZUBD-LBPRGKRZSA-N 0 0 318.446 3.531 10 0 DHAERN CC(C)CCSCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000115363511 337392098 /nfs/dbraw/zinc/39/20/98/337392098.db2.gz SDXBHOHDQMFTJH-CYBMUJFWSA-N 0 0 312.504 3.976 10 0 DHAERN Cc1cc(C)c(NC(=O)CN2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116292874 337392515 /nfs/dbraw/zinc/39/25/15/337392515.db2.gz GRTJLTSZTDIEMS-INIZCTEOSA-N 0 0 312.413 3.980 10 0 DHAERN Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116292870 337392618 /nfs/dbraw/zinc/39/26/18/337392618.db2.gz GRTJLTSZTDIEMS-MRXNPFEDSA-N 0 0 312.413 3.980 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C(C)(C)C3CCCC3)C2)c1 ZINC000119079271 337394358 /nfs/dbraw/zinc/39/43/58/337394358.db2.gz FHPUVQIMRPPTEP-INIZCTEOSA-N 0 0 303.450 3.571 10 0 DHAERN CSCCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000120007102 337395336 /nfs/dbraw/zinc/39/53/36/337395336.db2.gz WXDYJOMSHUUYBR-HNNXBMFYSA-N 0 0 307.459 3.508 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Cc2cccc(Br)c2)o1 ZINC000123986697 337402766 /nfs/dbraw/zinc/40/27/66/337402766.db2.gz JHOZJZXDMAKTRE-NSHDSACASA-N 0 0 322.202 3.770 10 0 DHAERN O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1ccccc1F ZINC000041566951 337403104 /nfs/dbraw/zinc/40/31/04/337403104.db2.gz SVARYSYCLQQGMI-SFHVURJKSA-N 0 0 324.330 3.879 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)CC2CCC(C)(C)CC2)cn1 ZINC000124928177 337408327 /nfs/dbraw/zinc/40/83/27/337408327.db2.gz UKZJWCJYNMQCFN-INIZCTEOSA-N 0 0 303.450 3.690 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)O1 ZINC000125055062 337409043 /nfs/dbraw/zinc/40/90/43/337409043.db2.gz YXKMZFOSZBNFCL-MRVWCRGKSA-N 0 0 316.426 3.527 10 0 DHAERN CCN(CCc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043164907 337409961 /nfs/dbraw/zinc/40/99/61/337409961.db2.gz YASWMZKMXPEHPD-SFHVURJKSA-N 0 0 324.424 3.784 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)N(Cc1ccccc1)C1CC1 ZINC000043164873 337409992 /nfs/dbraw/zinc/40/99/92/337409992.db2.gz RNKVWXWYBDAXIN-SFHVURJKSA-N 0 0 322.408 3.884 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@H]1n1ccnc1 ZINC000125338678 337411044 /nfs/dbraw/zinc/41/10/44/337411044.db2.gz JINRXOHITHLLIP-VDHUWJSZSA-N 0 0 315.461 3.509 10 0 DHAERN O=C(c1cccc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000125851685 337414271 /nfs/dbraw/zinc/41/42/71/337414271.db2.gz ASOXAHMZTRNFHK-UHFFFAOYSA-N 0 0 305.381 3.583 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)O1 ZINC000127108385 337419205 /nfs/dbraw/zinc/41/92/05/337419205.db2.gz NRZFRGCOPHMXRV-WBMJQRKESA-N 0 0 322.836 3.836 10 0 DHAERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892508 337434866 /nfs/dbraw/zinc/43/48/66/337434866.db2.gz XXFKVMFKIINOHR-ABAIWWIYSA-N 0 0 320.387 3.695 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(COCc3ccco3)c2)O1 ZINC000132913738 337443794 /nfs/dbraw/zinc/44/37/94/337443794.db2.gz CHCQNDXGYOKAPG-GUYCJALGSA-N 0 0 315.369 3.502 10 0 DHAERN O=C(c1ccc(F)cc1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555146 337460153 /nfs/dbraw/zinc/46/01/53/337460153.db2.gz DLOISAMWMMQFFQ-OAHLLOKOSA-N 0 0 313.372 3.757 10 0 DHAERN O=C(c1ccc(F)cc1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555150 337460194 /nfs/dbraw/zinc/46/01/94/337460194.db2.gz DLOISAMWMMQFFQ-HNNXBMFYSA-N 0 0 313.372 3.757 10 0 DHAERN CC(C)(C)c1cnc(CCC(=O)N2CCC[C@H]2c2ccco2)o1 ZINC000193648056 337460558 /nfs/dbraw/zinc/46/05/58/337460558.db2.gz FTYGAQICMFHZMA-ZDUSSCGKSA-N 0 0 316.401 3.861 10 0 DHAERN CCc1nnc(CN(Cc2ccccc2)Cc2ccccc2)n1C ZINC000195007515 337464545 /nfs/dbraw/zinc/46/45/45/337464545.db2.gz JEDNXZRTWNTIQR-UHFFFAOYSA-N 0 0 320.440 3.580 10 0 DHAERN CC(C)n1ncc2cc(CNc3cnc4ccccc4n3)cnc21 ZINC000194980653 337464581 /nfs/dbraw/zinc/46/45/81/337464581.db2.gz ZQSYXJTVZKRMJS-UHFFFAOYSA-N 0 0 318.384 3.568 10 0 DHAERN CO[C@H](C)c1cccc(N[C@H](c2ncc[nH]2)c2cccnc2)c1 ZINC000195108523 337465339 /nfs/dbraw/zinc/46/53/39/337465339.db2.gz CVFJVXNJECUFST-DYVFJYSZSA-N 0 0 308.385 3.714 10 0 DHAERN Cc1ccc(NC(=O)CN2CCCC[C@H]2c2nccs2)cc1 ZINC000195368320 337466308 /nfs/dbraw/zinc/46/63/08/337466308.db2.gz LNLBBQTUCVEGPR-HNNXBMFYSA-N 0 0 315.442 3.617 10 0 DHAERN CCOc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000195438780 337467011 /nfs/dbraw/zinc/46/70/11/337467011.db2.gz BEDBWLSXKAUAOR-MRXNPFEDSA-N 0 0 315.417 3.929 10 0 DHAERN C[C@@H](c1ccc(F)c(F)c1)N1CCO[C@H](c2nccs2)C1 ZINC000195521873 337468169 /nfs/dbraw/zinc/46/81/69/337468169.db2.gz LQLNUEYBTNDSIR-HZMBPMFUSA-N 0 0 310.369 3.556 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cn1 ZINC000245862993 337495705 /nfs/dbraw/zinc/49/57/05/337495705.db2.gz DRJUSKOBXIGEME-KONPQCLYSA-N 0 0 315.461 3.690 10 0 DHAERN C[C@H](CCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000246253485 337525097 /nfs/dbraw/zinc/52/50/97/337525097.db2.gz JTWMHPWHDONDSY-KBAYOESNSA-N 0 0 301.430 3.740 10 0 DHAERN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246264102 337525492 /nfs/dbraw/zinc/52/54/92/337525492.db2.gz AJXHTMZZYHHEDR-GLJUWKHASA-N 0 0 310.397 3.604 10 0 DHAERN Brc1ccccc1CN[C@H]1COc2ccccc21 ZINC000070070204 337546272 /nfs/dbraw/zinc/54/62/72/337546272.db2.gz RMDQWIPZSSQCMG-AWEZNQCLSA-N 0 0 304.187 3.672 10 0 DHAERN Cc1ccc(OCc2cccc(C(=O)N[C@H](C)C(C)C)c2)cn1 ZINC000074397913 337551880 /nfs/dbraw/zinc/55/18/80/337551880.db2.gz PHIOPFMTFKFMNF-OAHLLOKOSA-N 0 0 312.413 3.743 10 0 DHAERN O=C(CCc1ccc(F)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909373 337552806 /nfs/dbraw/zinc/55/28/06/337552806.db2.gz GESXCAZEAIHUFX-CQSZACIVSA-N 0 0 304.390 3.579 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909245 337552818 /nfs/dbraw/zinc/55/28/18/337552818.db2.gz UYRPDNOPBZYFDH-ZDUSSCGKSA-N 0 0 306.818 3.703 10 0 DHAERN CCSCC[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000246751276 337554871 /nfs/dbraw/zinc/55/48/71/337554871.db2.gz BZRWWLWNNYWTSK-UAGQMJEPSA-N 0 0 321.486 3.802 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)C12CCC2 ZINC000248034611 337562360 /nfs/dbraw/zinc/56/23/60/337562360.db2.gz RFULZMBEVRNOEF-FVQBIDKESA-N 0 0 320.433 3.638 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000248558482 337564707 /nfs/dbraw/zinc/56/47/07/337564707.db2.gz MAHBRQKCZNRVFV-KYJSFNMBSA-N 0 0 319.420 3.915 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1 ZINC000248787501 337567433 /nfs/dbraw/zinc/56/74/33/337567433.db2.gz ZTVHUUMTOUHPLR-CYZMBNFOSA-N 0 0 315.339 3.563 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CCC[C@H]1C ZINC000248923066 337568586 /nfs/dbraw/zinc/56/85/86/337568586.db2.gz FKXOTNGOINFDDC-WQVCFCJDSA-N 0 0 303.450 3.527 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000250541530 337574196 /nfs/dbraw/zinc/57/41/96/337574196.db2.gz NJSDYPFTOFLAMU-FPMFFAJLSA-N 0 0 315.335 3.564 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000077613772 337582862 /nfs/dbraw/zinc/58/28/62/337582862.db2.gz BZKVQTWHLBLDNX-HOTGVXAUSA-N 0 0 318.380 3.522 10 0 DHAERN CC[C@H](NC(=O)N1CCS[C@H](C)C1)c1cc(F)ccc1F ZINC000077873686 337585737 /nfs/dbraw/zinc/58/57/37/337585737.db2.gz GUJBJYLSGATDHU-YGRLFVJLSA-N 0 0 314.401 3.563 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccs3)C2)cc1 ZINC000078187886 337592285 /nfs/dbraw/zinc/59/22/85/337592285.db2.gz MDPOQSJIKCTJKL-OCCSQVGLSA-N 0 0 301.411 3.775 10 0 DHAERN CCC[C@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)OC(C)(C)C ZINC000161556041 337592699 /nfs/dbraw/zinc/59/26/99/337592699.db2.gz FHTSCMQQSKPMAU-DOMZBBRYSA-N 0 0 323.408 3.556 10 0 DHAERN C[C@H](CNc1ccccc1)NC(=O)c1c(F)cccc1Cl ZINC000161790298 337597280 /nfs/dbraw/zinc/59/72/80/337597280.db2.gz IZLPEBYFGJOINE-LLVKDONJSA-N 0 0 306.768 3.710 10 0 DHAERN Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)c2cc(N)ccc2C)cc1 ZINC000262333789 337616941 /nfs/dbraw/zinc/61/69/41/337616941.db2.gz FTKOHFFGFYQORM-RBUKOAKNSA-N 0 0 324.424 3.536 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2SCCc3ccccc32)o1 ZINC000079547643 337623730 /nfs/dbraw/zinc/62/37/30/337623730.db2.gz FPRXUYSSHBUHRN-BLLLJJGKSA-N 0 0 301.411 3.796 10 0 DHAERN CCCCOc1ccccc1C[NH2+]CC(CC)(CC)C(=O)[O-] ZINC000263117192 337624681 /nfs/dbraw/zinc/62/46/81/337624681.db2.gz ZYNOGFJPLSRSTG-UHFFFAOYSA-N 0 0 307.434 3.846 10 0 DHAERN C[C@@H](NC(=O)Nc1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000079648266 337625936 /nfs/dbraw/zinc/62/59/36/337625936.db2.gz JUMFGQGXSYEIBJ-GFCCVEGCSA-N 0 0 300.406 3.600 10 0 DHAERN CCCC[C@@H]([NH2+]C1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000263406365 337627939 /nfs/dbraw/zinc/62/79/39/337627939.db2.gz JYOLRNXVAVVJIW-PUJMQQBBSA-N 0 0 305.418 3.651 10 0 DHAERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2ccccc21 ZINC000263510791 337630861 /nfs/dbraw/zinc/63/08/61/337630861.db2.gz NIWVQRXJFZKMEA-HKUYNNGSSA-N 0 0 309.409 3.740 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1csc(C2CCCC2)n1 ZINC000081569861 337725995 /nfs/dbraw/zinc/72/59/95/337725995.db2.gz SMBYPQXLRKJNQA-GFCCVEGCSA-N 0 0 324.490 3.963 10 0 DHAERN Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045414111 337823791 /nfs/dbraw/zinc/82/37/91/337823791.db2.gz MKEMAIPMSIBGOF-LBPRGKRZSA-N 0 0 313.445 3.825 10 0 DHAERN O=C(c1cc(Cl)ccc1Cl)N1CCO[C@H]2CCCC[C@@H]21 ZINC000046486539 337836203 /nfs/dbraw/zinc/83/62/03/337836203.db2.gz XJKQBSUWMJEBLI-KBPBESRZSA-N 0 0 314.212 3.777 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000117254520 337846854 /nfs/dbraw/zinc/84/68/54/337846854.db2.gz VOUXHHIAJPSIDA-IAGOWNOFSA-N 0 0 305.466 3.962 10 0 DHAERN Cc1cncc(C(=O)N[C@H](C)c2cccc(Br)c2)c1 ZINC000088449605 337861699 /nfs/dbraw/zinc/86/16/99/337861699.db2.gz PQCOEUWCRINIEQ-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1Cl ZINC000088559539 337862382 /nfs/dbraw/zinc/86/23/82/337862382.db2.gz ANVIGCKMODUYOX-RISCZKNCSA-N 0 0 304.825 3.680 10 0 DHAERN O=C(C[C@H](O)c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000089244723 337867929 /nfs/dbraw/zinc/86/79/29/337867929.db2.gz FGGLCHLGXIOVAY-CABCVRRESA-N 0 0 319.788 3.720 10 0 DHAERN COc1ccc([C@@H](C)C(=O)NCCc2cc3ccccc3[nH]2)cc1 ZINC000119946777 337868088 /nfs/dbraw/zinc/86/80/88/337868088.db2.gz UUUKUXWVARTUOC-CQSZACIVSA-N 0 0 322.408 3.639 10 0 DHAERN CC(C)Oc1ccccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000058624373 337877550 /nfs/dbraw/zinc/87/75/50/337877550.db2.gz IFSLQKIMABNNMR-HNNXBMFYSA-N 0 0 312.369 3.729 10 0 DHAERN O=C(CSCC(F)(F)F)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090141808 337878118 /nfs/dbraw/zinc/87/81/18/337878118.db2.gz LVIVOIDUHJFYFK-JGVFFNPUSA-N 0 0 323.302 3.519 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000121873453 337900187 /nfs/dbraw/zinc/90/01/87/337900187.db2.gz CHJPGHJLFWODSZ-HZPDHXFCSA-N 0 0 301.430 3.645 10 0 DHAERN CC(C)c1nn(C)c(Cl)c1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000092729366 337907510 /nfs/dbraw/zinc/90/75/10/337907510.db2.gz WVLZDNHYYSTBJU-CYBMUJFWSA-N 0 0 321.856 3.647 10 0 DHAERN C[C@H]1CN(Cc2csc(CCc3ccccc3)n2)CCS1 ZINC000084677616 338003624 /nfs/dbraw/zinc/00/36/24/338003624.db2.gz FBHHAXZRNUAMGZ-AWEZNQCLSA-N 0 0 318.511 3.866 10 0 DHAERN Cc1c(C(=O)N[C@H]2CCCC[C@H]2CO)sc2cccc(F)c12 ZINC000151000574 338156451 /nfs/dbraw/zinc/15/64/51/338156451.db2.gz QRABJKONKMQXDY-AAEUAGOBSA-N 0 0 321.417 3.630 10 0 DHAERN C[C@H](NC[C@@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229491 338162486 /nfs/dbraw/zinc/16/24/86/338162486.db2.gz NRJQSRMZDDUYGQ-YLWLKBPMSA-N 0 0 320.113 3.706 10 0 DHAERN CC1(C)[C@H](Nc2ccc(F)c(Br)c2)[C@@H]2CCO[C@@H]21 ZINC000165746366 339052947 /nfs/dbraw/zinc/05/29/47/339052947.db2.gz VJDNIWZFCGPKKX-BIMULSAOSA-N 0 0 314.198 3.814 10 0 DHAERN C[C@@H](NC(=O)C1(O)CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000086565792 340246308 /nfs/dbraw/zinc/24/63/08/340246308.db2.gz BMYSRHGPSZNERA-MRVPVSSYSA-N 0 0 320.191 3.615 10 0 DHAERN C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H]1COc2ccccc21 ZINC000172914183 340348220 /nfs/dbraw/zinc/34/82/20/340348220.db2.gz MFBKTLRLEGOZKP-GUYCJALGSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)C[C@H](C)c1ccccc1 ZINC000172959502 340349978 /nfs/dbraw/zinc/34/99/78/340349978.db2.gz RVFJKWDPLGMSBY-DLBZAZTESA-N 0 0 311.425 3.902 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Cc1ccccc1Cl ZINC000172959623 340350190 /nfs/dbraw/zinc/35/01/90/340350190.db2.gz QZSUVLSXRXNBCP-AWEZNQCLSA-N 0 0 317.816 3.604 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1c(F)cccc1Cl ZINC000172967522 340350508 /nfs/dbraw/zinc/35/05/08/340350508.db2.gz JUVIODJTOVHOJO-GFCCVEGCSA-N 0 0 321.779 3.814 10 0 DHAERN CCc1ccsc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172977066 340350936 /nfs/dbraw/zinc/35/09/36/340350936.db2.gz ZOBITKMUPQACLG-ZDUSSCGKSA-N 0 0 303.427 3.646 10 0 DHAERN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)n(C)n1 ZINC000173341140 340362952 /nfs/dbraw/zinc/36/29/52/340362952.db2.gz MQELRIHPNVIMDN-SNVBAGLBSA-N 0 0 323.799 3.827 10 0 DHAERN CO[C@]1(C)C[C@H](N(C)C(=O)N[C@H](C)c2cccs2)C1(C)C ZINC000173423098 340364795 /nfs/dbraw/zinc/36/47/95/340364795.db2.gz WVLFHUYYOKGWBU-PVXIVEMSSA-N 0 0 310.463 3.654 10 0 DHAERN O=C(NC[C@@H]1CCCC[C@@H]1O)C1CCC(c2ccccc2)CC1 ZINC000173717403 340372603 /nfs/dbraw/zinc/37/26/03/340372603.db2.gz WEWICXPIUFPPDY-BTRQGYIVSA-N 0 0 315.457 3.628 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@@H](C)CCc1cccn1C ZINC000173834741 340375421 /nfs/dbraw/zinc/37/54/21/340375421.db2.gz LCCDUHSKQHNRDL-HOTGVXAUSA-N 0 0 313.445 3.715 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCc2ccco2)o1 ZINC000173899403 340377147 /nfs/dbraw/zinc/37/71/47/340377147.db2.gz UBKRXPIXPXACFR-HNNXBMFYSA-N 0 0 302.374 3.872 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000174006672 340379939 /nfs/dbraw/zinc/37/99/39/340379939.db2.gz XRPDLKIKMIMXFP-HNNXBMFYSA-N 0 0 301.430 3.982 10 0 DHAERN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000174326874 340386095 /nfs/dbraw/zinc/38/60/95/340386095.db2.gz ICHLYGFOLGTDLM-UBHSHLNASA-N 0 0 309.479 3.775 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCc2ccoc2)o1 ZINC000174330938 340386164 /nfs/dbraw/zinc/38/61/64/340386164.db2.gz FNQCKLWZFWBJTP-OAHLLOKOSA-N 0 0 302.374 3.872 10 0 DHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000174372005 340386943 /nfs/dbraw/zinc/38/69/43/340386943.db2.gz PCOMDTSRZSZHAR-JLJPHGGASA-N 0 0 321.486 3.931 10 0 DHAERN Cc1ccc(F)cc1NC(=O)N[C@H](C)COCc1ccccc1 ZINC000174400276 340387568 /nfs/dbraw/zinc/38/75/68/340387568.db2.gz MABWZYRMDWLCSL-CQSZACIVSA-N 0 0 316.376 3.861 10 0 DHAERN C[C@@H]1Cc2ccccc2CN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000175324475 340409150 /nfs/dbraw/zinc/40/91/50/340409150.db2.gz MKZUPBHTGRSBOC-RDTXWAMCSA-N 0 0 322.408 3.667 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)Oc2ccccc2F)o1 ZINC000175339456 340409753 /nfs/dbraw/zinc/40/97/53/340409753.db2.gz QRTXVVGLTGHGQO-STQMWFEESA-N 0 0 320.364 3.555 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)Oc2cccc(F)c2)o1 ZINC000175343876 340409784 /nfs/dbraw/zinc/40/97/84/340409784.db2.gz SIOAFOWWFMOESH-STQMWFEESA-N 0 0 320.364 3.555 10 0 DHAERN C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1F)c1cccs1 ZINC000176171247 340425509 /nfs/dbraw/zinc/42/55/09/340425509.db2.gz HWDHKOKSGLSCPM-JTQLQIEISA-N 0 0 315.373 3.768 10 0 DHAERN CCC(CC)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000176469213 340427716 /nfs/dbraw/zinc/42/77/16/340427716.db2.gz XRNIUIOISCUTMT-AWEZNQCLSA-N 0 0 314.433 3.669 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)c2cccs2)C1(C)C ZINC000178449555 340449695 /nfs/dbraw/zinc/44/96/95/340449695.db2.gz SCPBHOXXAUWLLC-FPMFFAJLSA-N 0 0 310.463 3.654 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@H](C)c2cccc(Br)c2)o1 ZINC000089750242 340474121 /nfs/dbraw/zinc/47/41/21/340474121.db2.gz LMXODQZGDVVBSF-MRVPVSSYSA-N 0 0 323.190 3.545 10 0 DHAERN C[C@@H](NC(=O)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000183312524 340487438 /nfs/dbraw/zinc/48/74/38/340487438.db2.gz UGZPRHXYDFFEES-GFCCVEGCSA-N 0 0 303.789 3.856 10 0 DHAERN Cc1cc2occ(C(=O)N3CCO[C@@H]4CCCC[C@H]43)c2cc1C ZINC000185263749 340499490 /nfs/dbraw/zinc/49/94/90/340499490.db2.gz HKRVGJOAINFABY-IAGOWNOFSA-N 0 0 313.397 3.833 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)O1 ZINC000185886196 340506201 /nfs/dbraw/zinc/50/62/01/340506201.db2.gz SDXMMOCKFXGHRG-BLLLJJGKSA-N 0 0 307.821 3.614 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCC2(CO)CCCC2)cc1 ZINC000186948484 340517063 /nfs/dbraw/zinc/51/70/63/340517063.db2.gz WENVGHFRZROZQK-QZTJIDSGSA-N 0 0 315.457 3.582 10 0 DHAERN C[C@@H](NC(=O)c1csc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000188906211 340523326 /nfs/dbraw/zinc/52/33/26/340523326.db2.gz PTAKBAXYUGOWQX-SECBINFHSA-N 0 0 323.801 3.664 10 0 DHAERN CCCOc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1Cl ZINC000189081087 340526390 /nfs/dbraw/zinc/52/63/90/340526390.db2.gz FXEQMNFLLJYSRY-DGCLKSJQSA-N 0 0 311.809 3.882 10 0 DHAERN CCc1nnc(CSC/C=C/c2ccc(Cl)cc2)n1C ZINC000190057911 340542425 /nfs/dbraw/zinc/54/24/25/340542425.db2.gz LDOXDAZQAMQRFC-SNAWJCMRSA-N 0 0 307.850 3.978 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1cn2ccnc2s1 ZINC000190103462 340542695 /nfs/dbraw/zinc/54/26/95/340542695.db2.gz HGAFDISJIQTVED-SNVBAGLBSA-N 0 0 319.817 3.882 10 0 DHAERN CCOC(=O)[C@@H](NCc1ccccc1F)c1ccc(Cl)cc1 ZINC000192945666 340570825 /nfs/dbraw/zinc/57/08/25/340570825.db2.gz ZQKAZOLRPXFNOH-INIZCTEOSA-N 0 0 321.779 3.873 10 0 DHAERN CCOC(=O)[C@H](NC(=O)C1=CCCCC1)c1ccc(Cl)cc1 ZINC000193860879 340584933 /nfs/dbraw/zinc/58/49/33/340584933.db2.gz MCPPMFKOOXXQSF-OAHLLOKOSA-N 0 0 321.804 3.561 10 0 DHAERN CCc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)o2)cc1 ZINC000194021018 340588109 /nfs/dbraw/zinc/58/81/09/340588109.db2.gz VNNZXXLBQIFEDW-ZIAGYGMSSA-N 0 0 300.402 3.828 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1 ZINC000230055123 340617814 /nfs/dbraw/zinc/61/78/14/340617814.db2.gz BBJKDBHSWVGIHQ-SMDDNHRTSA-N 0 0 310.235 3.844 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(Br)s1 ZINC000230055430 340617910 /nfs/dbraw/zinc/61/79/10/340617910.db2.gz ALFGHQYDWGMUBA-PSASIEDQSA-N 0 0 302.237 3.563 10 0 DHAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(F)c(Br)c1 ZINC000231691532 340625318 /nfs/dbraw/zinc/62/53/18/340625318.db2.gz UYTAUNQAQIYWLR-PRHODGIISA-N 0 0 300.171 3.507 10 0 DHAERN O=C(c1ccc(Cl)cc1Cl)N1CCO[C@H]2CCCC[C@@H]21 ZINC000041117283 340709464 /nfs/dbraw/zinc/70/94/64/340709464.db2.gz BWOJBKRHBFREOO-KBPBESRZSA-N 0 0 314.212 3.777 10 0 DHAERN O=C(CCCc1ccc(Cl)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041109676 340709485 /nfs/dbraw/zinc/70/94/85/340709485.db2.gz QWIKYENFLYXVEC-IAGOWNOFSA-N 0 0 321.848 3.833 10 0 DHAERN CC(C)(CCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000041315357 340709670 /nfs/dbraw/zinc/70/96/70/340709670.db2.gz LCWYTUWZZWFCFO-ROUUACIJSA-N 0 0 315.457 3.914 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)c2cccc(C(=O)OC)c2)cc1 ZINC000170555821 340712368 /nfs/dbraw/zinc/71/23/68/340712368.db2.gz KJLSNHGOBGQHPT-CYBMUJFWSA-N 0 0 311.381 3.527 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)CSCc1cscn1 ZINC000123785610 340794934 /nfs/dbraw/zinc/79/49/34/340794934.db2.gz NMEWQQVGAPVOKA-LBPRGKRZSA-N 0 0 306.456 3.562 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2cc(F)c(OC)cc2F)cc1 ZINC000125171974 340802610 /nfs/dbraw/zinc/80/26/10/340802610.db2.gz WYCRLYILTSTAJY-SNVBAGLBSA-N 0 0 321.323 3.724 10 0 DHAERN COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000128258981 340862975 /nfs/dbraw/zinc/86/29/75/340862975.db2.gz WXXOABZTMQURDJ-HNNXBMFYSA-N 0 0 323.314 3.599 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1(Sc2ccccc2)CCCC1 ZINC000130688028 341039229 /nfs/dbraw/zinc/03/92/29/341039229.db2.gz FAMYVYJLZSUDRL-CVEARBPZSA-N 0 0 319.470 3.511 10 0 DHAERN CC(C)[C@@H](C)NC(=O)CCCc1ccc(Br)s1 ZINC000073001610 341112090 /nfs/dbraw/zinc/11/20/90/341112090.db2.gz AVSFEQGTABQZTA-SNVBAGLBSA-N 0 0 318.280 3.994 10 0 DHAERN C[C@@H](NC(=O)N(C)C1CCC1)c1cccc(Br)c1 ZINC000073630169 341119391 /nfs/dbraw/zinc/11/93/91/341119391.db2.gz UDXLDDKAABANLU-SNVBAGLBSA-N 0 0 311.223 3.704 10 0 DHAERN Cc1cc(C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000132906200 341149096 /nfs/dbraw/zinc/14/90/96/341149096.db2.gz IALLBLGZUHEINL-NSHDSACASA-N 0 0 304.777 3.582 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1nccs1)c1ccc(Cl)s1 ZINC000074851879 341153620 /nfs/dbraw/zinc/15/36/20/341153620.db2.gz VCWIPFBXRXISFV-MRVPVSSYSA-N 0 0 315.851 3.761 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(O)c2)cc1 ZINC000077001677 341216881 /nfs/dbraw/zinc/21/68/81/341216881.db2.gz YNYYKOZUGVBUTQ-RBUKOAKNSA-N 0 0 309.409 3.936 10 0 DHAERN Cc1c(C(=O)NC[C@@H]2CCCC[C@@H]2O)sc2cccc(F)c12 ZINC000077207563 341220419 /nfs/dbraw/zinc/22/04/19/341220419.db2.gz PJNVGLRYBYJUFE-AAEUAGOBSA-N 0 0 321.417 3.630 10 0 DHAERN CSC[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000077800893 341230798 /nfs/dbraw/zinc/23/07/98/341230798.db2.gz BPUSSHUUWJZQQT-STQMWFEESA-N 0 0 302.443 3.952 10 0 DHAERN COc1ccc(-c2ncc(C(=O)N[C@@H](C)C(C)C)s2)cc1 ZINC000079411627 341258452 /nfs/dbraw/zinc/25/84/52/341258452.db2.gz MUIDOBWHVQVQBJ-NSHDSACASA-N 0 0 304.415 3.593 10 0 DHAERN COc1ccc(-c2ncc(C(=O)N[C@H](C)C(C)C)s2)cc1 ZINC000079411621 341258454 /nfs/dbraw/zinc/25/84/54/341258454.db2.gz MUIDOBWHVQVQBJ-LLVKDONJSA-N 0 0 304.415 3.593 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2ccccc2c1 ZINC000081451496 341291206 /nfs/dbraw/zinc/29/12/06/341291206.db2.gz ZYQCZIILXJZMHW-CYBMUJFWSA-N 0 0 313.397 3.642 10 0 DHAERN CC(C)n1nnnc1CN(C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475762 341296034 /nfs/dbraw/zinc/29/60/34/341296034.db2.gz SFLRCHAZJRIZRD-QWHCGFSZSA-N 0 0 321.856 3.531 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)C2CCOCC2)cc1 ZINC000246315071 341341844 /nfs/dbraw/zinc/34/18/44/341341844.db2.gz DTQHFIZPERCTFO-CCKFTAQKSA-N 0 0 315.457 3.845 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1ccccc1Br ZINC000246456322 341349505 /nfs/dbraw/zinc/34/95/05/341349505.db2.gz JDXYIVNBXJRALQ-TVYUQYBPSA-N 0 0 308.219 3.672 10 0 DHAERN C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)O1 ZINC000246728890 341356379 /nfs/dbraw/zinc/35/63/79/341356379.db2.gz MPSWWMIVTLENQD-MROQNXINSA-N 0 0 307.356 3.571 10 0 DHAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1ncc(C(C)C)s1 ZINC000248500344 341378932 /nfs/dbraw/zinc/37/89/32/341378932.db2.gz SOHKILYSGFWELB-MJBXVCDLSA-N 0 0 322.474 3.573 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000248606516 341381134 /nfs/dbraw/zinc/38/11/34/341381134.db2.gz VKVAJEYTQALLLZ-IIVZCXTMSA-N 0 0 301.430 3.550 10 0 DHAERN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000249323695 341396455 /nfs/dbraw/zinc/39/64/55/341396455.db2.gz RZBCKYFVHLXHCI-YCPHGPKFSA-N 0 0 302.418 3.730 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCO[C@@H]2C)o1 ZINC000253351406 341454196 /nfs/dbraw/zinc/45/41/96/341454196.db2.gz JSVBUQQNXCBZMN-JHNDHUHGSA-N 0 0 319.445 3.957 10 0 DHAERN O=C(CC[C@H]1CCCCO1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153225235 341530706 /nfs/dbraw/zinc/53/07/06/341530706.db2.gz MQCHJKXSRZAKAD-WBVHZDCISA-N 0 0 305.393 3.669 10 0 DHAERN COCc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000153251846 341531888 /nfs/dbraw/zinc/53/18/88/341531888.db2.gz TXLDZENMYJEKQM-SFHVURJKSA-N 0 0 313.372 3.780 10 0 DHAERN CC(C)CO[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000153559421 341574741 /nfs/dbraw/zinc/57/47/41/341574741.db2.gz WVFRRMROKCELOB-BBRMVZONSA-N 0 0 324.852 3.858 10 0 DHAERN CC(C)c1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)no1 ZINC000157848450 341646499 /nfs/dbraw/zinc/64/64/99/341646499.db2.gz PGSCFUYHFAQCEG-AWEZNQCLSA-N 0 0 302.349 3.745 10 0 DHAERN CC(=O)c1ccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000157868506 341646951 /nfs/dbraw/zinc/64/69/51/341646951.db2.gz TYFOPLYZNSTYNG-GOSISDBHSA-N 0 0 311.356 3.836 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)Cc2c(C)noc2Cl)cc1 ZINC000159083801 341668114 /nfs/dbraw/zinc/66/81/14/341668114.db2.gz AOWXPBXJSNTQCF-SNVBAGLBSA-N 0 0 306.793 3.619 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000171459893 341778281 /nfs/dbraw/zinc/77/82/81/341778281.db2.gz PMUBHRMTJLRJQX-LLVKDONJSA-N 0 0 311.809 3.882 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)N1CCCc2ccccc2C1 ZINC000171697905 341782893 /nfs/dbraw/zinc/78/28/93/341782893.db2.gz XXTXMLMRZGVYHS-SFHVURJKSA-N 0 0 322.408 3.668 10 0 DHAERN COc1ccc(OCCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000172058951 341792169 /nfs/dbraw/zinc/79/21/69/341792169.db2.gz HVKFJENPXSSYSV-UHFFFAOYSA-N 0 0 310.353 3.675 10 0 DHAERN CC(C)c1nn(C)cc1N[C@H](C)c1cncc(Br)c1 ZINC000576122858 341828456 /nfs/dbraw/zinc/82/84/56/341828456.db2.gz QOUYHVIFMYIZSD-SNVBAGLBSA-N 0 0 323.238 3.874 10 0 DHAERN C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176691610 518440437 /nfs/dbraw/zinc/44/04/37/518440437.db2.gz AZLZOYYKYXAYDA-JIIJFUIFSA-N 0 0 313.376 3.706 10 0 DHAERN CC(C)CCC[C@@H](C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000155014689 519644649 /nfs/dbraw/zinc/64/46/49/519644649.db2.gz LWOQTBSCGABQLP-CQSZACIVSA-N 0 0 306.454 3.514 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000153477726 519792148 /nfs/dbraw/zinc/79/21/48/519792148.db2.gz PLMYNWPJOYFLJB-CHWSQXEVSA-N 0 0 301.390 3.746 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000112858798 519792324 /nfs/dbraw/zinc/79/23/24/519792324.db2.gz ZCWCAGZUQGDDMI-GFCCVEGCSA-N 0 0 316.426 3.775 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000190260243 519822869 /nfs/dbraw/zinc/82/28/69/519822869.db2.gz YKNRHIAWJYAPAM-NOZJJQNGSA-N 0 0 304.217 3.578 10 0 DHAERN CCC1CCC(NC(=O)c2cccnc2C(F)(F)F)CC1 ZINC000188350574 519856389 /nfs/dbraw/zinc/85/63/89/519856389.db2.gz ZUAUPQNQUFDPSY-UHFFFAOYSA-N 0 0 300.324 3.799 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2cccc(F)c2)no1 ZINC000176331660 519866663 /nfs/dbraw/zinc/86/66/63/519866663.db2.gz CWSUAEPQNYDFEW-ZDUSSCGKSA-N 0 0 318.352 3.701 10 0 DHAERN CC(C)c1nnc(CN[C@H](CC2CCC2)c2ccccc2)n1C ZINC000181358429 519887869 /nfs/dbraw/zinc/88/78/69/519887869.db2.gz LPBMTVYNHXQUSA-QGZVFWFLSA-N 0 0 312.461 3.960 10 0 DHAERN CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000109103681 520033689 /nfs/dbraw/zinc/03/36/89/520033689.db2.gz IMJURWIKWWRUKY-UONOGXRCSA-N 0 0 302.324 3.516 10 0 DHAERN CC(C)n1ncc2cc(CNc3ccc(Cl)cn3)cnc21 ZINC000181536384 520083700 /nfs/dbraw/zinc/08/37/00/520083700.db2.gz NSRPNOAJXKFGMS-UHFFFAOYSA-N 0 0 301.781 3.673 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccnc(Cl)c2)C12CCCC2 ZINC000134096338 520406848 /nfs/dbraw/zinc/40/68/48/520406848.db2.gz JYDYNRGAFHNLRD-UONOGXRCSA-N 0 0 322.836 3.545 10 0 DHAERN CCCOc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000181256733 520417778 /nfs/dbraw/zinc/41/77/78/520417778.db2.gz LWDYACHNHIUQHS-CXAGYDPISA-N 0 0 314.433 3.561 10 0 DHAERN CCOC(=O)[C@@H](c1nc(-c2ccccc2C)no1)c1ccccc1 ZINC000057353609 521086935 /nfs/dbraw/zinc/08/69/35/521086935.db2.gz QWHYEHKPOSSNFS-MRXNPFEDSA-N 0 0 322.364 3.740 10 0 DHAERN CCCc1ccccc1NC(=O)C1CCC(C(=O)OC)CC1 ZINC000180152610 521435930 /nfs/dbraw/zinc/43/59/30/521435930.db2.gz OIVPQGVVMQKGFY-UHFFFAOYSA-N 0 0 303.402 3.557 10 0 DHAERN CCCc1csc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000184027246 521458741 /nfs/dbraw/zinc/45/87/41/521458741.db2.gz LWGAXVBXOCVWJM-CYBMUJFWSA-N 0 0 319.434 3.578 10 0 DHAERN CCCc1nc(CN[C@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000180831351 521517274 /nfs/dbraw/zinc/51/72/74/521517274.db2.gz OKPIDUSOKSUKNB-GFCCVEGCSA-N 0 0 320.458 3.964 10 0 DHAERN CCOc1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109100420 521624659 /nfs/dbraw/zinc/62/46/59/521624659.db2.gz KVEWSMONNJYLQF-VXGBXAGGSA-N 0 0 318.323 3.501 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000161747051 521687299 /nfs/dbraw/zinc/68/72/99/521687299.db2.gz GGXKXKVYTBBYRW-HNNXBMFYSA-N 0 0 304.434 3.562 10 0 DHAERN CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000158296113 521734331 /nfs/dbraw/zinc/73/43/31/521734331.db2.gz MEGGWQPUNOTGCR-GWCFXTLKSA-N 0 0 313.850 3.749 10 0 DHAERN CCSc1cc(Cl)ccc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000158296264 521734603 /nfs/dbraw/zinc/73/46/03/521734603.db2.gz MEGGWQPUNOTGCR-MFKMUULPSA-N 0 0 313.850 3.749 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)NCC=C(C)C)C2)n1 ZINC000190555465 522116138 /nfs/dbraw/zinc/11/61/38/522116138.db2.gz BKZQSDKHRUEDRZ-ZDUSSCGKSA-N 0 0 307.463 3.561 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000103383448 522173423 /nfs/dbraw/zinc/17/34/23/522173423.db2.gz CTDHXLSDXHOJQA-SFYZADRCSA-N 0 0 308.180 3.592 10 0 DHAERN CC[C@H](CSC)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000179979659 522276364 /nfs/dbraw/zinc/27/63/64/522276364.db2.gz ULRQVCQXPYPQEM-NEPJUHHUSA-N 0 0 313.492 3.521 10 0 DHAERN COC(=O)C1CCC(C(=O)N2CC[C@H](C)c3ccccc32)CC1 ZINC000180156603 522902766 /nfs/dbraw/zinc/90/27/66/522902766.db2.gz JPRNZXWGFPDJNO-NFOMZHRRSA-N 0 0 315.413 3.506 10 0 DHAERN CCn1c(C)nnc1COc1ccc(Cc2ccccc2)cc1 ZINC000180370712 523156340 /nfs/dbraw/zinc/15/63/40/523156340.db2.gz OZYBMBIHIAFGGN-UHFFFAOYSA-N 0 0 307.397 3.776 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181614990 523157114 /nfs/dbraw/zinc/15/71/14/523157114.db2.gz WTVIYFNORCQVIM-MRXNPFEDSA-N 0 0 322.403 3.762 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182568784 523157638 /nfs/dbraw/zinc/15/76/38/523157638.db2.gz DXJYKVHPSVXKIG-KRWDZBQOSA-N 0 0 318.852 3.891 10 0 DHAERN CO[C@@H](C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000182990676 523328979 /nfs/dbraw/zinc/32/89/79/523328979.db2.gz MENODQXOMNJARO-BFHYXJOUSA-N 0 0 315.335 3.611 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cc(C)c(C)s3)CC2)cn1 ZINC000123813334 523355009 /nfs/dbraw/zinc/35/50/09/523355009.db2.gz RLIUYTISORBLQR-UHFFFAOYSA-N 0 0 317.458 3.601 10 0 DHAERN COCCC[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182589350 523482517 /nfs/dbraw/zinc/48/25/17/523482517.db2.gz WZOFYEYGBQZGNV-WDEREUQCSA-N 0 0 301.789 3.719 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CCO1 ZINC000180534168 523561284 /nfs/dbraw/zinc/56/12/84/523561284.db2.gz FPIPPNBMEFMZEQ-LUXYFRNMSA-N 0 0 301.430 3.946 10 0 DHAERN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000187401425 523611882 /nfs/dbraw/zinc/61/18/82/523611882.db2.gz DFVKOZCHOFTAKQ-KCQAQPDRSA-N 0 0 320.433 3.595 10 0 DHAERN CC[C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000157420011 523791841 /nfs/dbraw/zinc/79/18/41/523791841.db2.gz YIKJGFXFOMLSNC-DOTOQJQBSA-N 0 0 313.372 3.959 10 0 DHAERN CC[C@H](C)CC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000191436610 523850395 /nfs/dbraw/zinc/85/03/95/523850395.db2.gz JPWXCJFIRKWKBS-WFASDCNBSA-N 0 0 319.474 3.910 10 0 DHAERN CN(C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C1CC1 ZINC000180705890 523880943 /nfs/dbraw/zinc/88/09/43/523880943.db2.gz CPQGYNPTWBUQQF-AWEZNQCLSA-N 0 0 312.335 3.960 10 0 DHAERN Cc1ccc(CN(C)C(=O)N[C@@H]2CCOc3ccccc32)s1 ZINC000170825368 524370116 /nfs/dbraw/zinc/37/01/16/524370116.db2.gz MKSVFQNGAMJNCS-OAHLLOKOSA-N 0 0 316.426 3.722 10 0 DHAERN COc1ccccc1CCCn1c2ccccc2nc1[C@@H](C)O ZINC000181507072 524404394 /nfs/dbraw/zinc/40/43/94/524404394.db2.gz IXXJDJIEOPAXHD-CQSZACIVSA-N 0 0 310.397 3.731 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)c2ccccc21 ZINC000162702429 524421983 /nfs/dbraw/zinc/42/19/83/524421983.db2.gz MVPFPIVQPSPRAE-SJCJKPOMSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCCc2ccccn2)c2ccccc21 ZINC000178938601 524607942 /nfs/dbraw/zinc/60/79/42/524607942.db2.gz WIJVZEUIVSYNQW-RDTXWAMCSA-N 0 0 309.413 3.562 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)c2ccnc(F)c2F)c2ccccc21 ZINC000193607243 524615429 /nfs/dbraw/zinc/61/54/29/524615429.db2.gz MSUADNLFKVMGSR-QMTHXVAHSA-N 0 0 302.324 3.728 10 0 DHAERN Cc1cccc(NCc2nc(-c3cccc(Cl)c3)no2)n1 ZINC000157587564 524687554 /nfs/dbraw/zinc/68/75/54/524687554.db2.gz XBZWGGYPOQBXDA-UHFFFAOYSA-N 0 0 300.749 3.706 10 0 DHAERN Cc1cc(Cl)cc2nc(SCc3nnnn3C(C)C)oc21 ZINC000117117640 524879834 /nfs/dbraw/zinc/87/98/34/524879834.db2.gz KVGZQIWDFNEJQQ-UHFFFAOYSA-N 0 0 323.809 3.649 10 0 DHAERN C[C@@H](Cc1ccccc1F)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000172384518 524920733 /nfs/dbraw/zinc/92/07/33/524920733.db2.gz ZCIUQZUKWSQPDP-SUMWQHHRSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000190786186 525014623 /nfs/dbraw/zinc/01/46/23/525014623.db2.gz YLUWZDFELILMPT-DYVFJYSZSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000189170447 525014661 /nfs/dbraw/zinc/01/46/61/525014661.db2.gz JXNVPTBUQRSMAB-RISCZKNCSA-N 0 0 315.335 3.935 10 0 DHAERN C[C@H](NC(=O)N1CCCO[C@H](C)C1)c1ccc2ccccc2c1 ZINC000171292478 525020786 /nfs/dbraw/zinc/02/07/86/525020786.db2.gz WCXVKYZKTGMTCY-CABCVRRESA-N 0 0 312.413 3.721 10 0 DHAERN C[C@H](NC(=O)NCc1nc(C2CC2)cs1)c1cccs1 ZINC000178481125 525084242 /nfs/dbraw/zinc/08/42/42/525084242.db2.gz XTWUQPHLODIGKL-VIFPVBQESA-N 0 0 307.444 3.642 10 0 DHAERN C[C@@H](NC(=O)N(C)CC1CC1)c1ccccc1Br ZINC000120298372 525146765 /nfs/dbraw/zinc/14/67/65/525146765.db2.gz REHLHPJXLMIGCF-SNVBAGLBSA-N 0 0 311.223 3.562 10 0 DHAERN C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000192959050 525186113 /nfs/dbraw/zinc/18/61/13/525186113.db2.gz FHTSUXYXBDEDPP-LKTVYLICSA-N 0 0 317.335 3.651 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(NC(N)=O)cc2)CC(C)(C)C1 ZINC000182997083 525189366 /nfs/dbraw/zinc/18/93/66/525189366.db2.gz FKLREHZVADXFPJ-VXGBXAGGSA-N 0 0 303.406 3.578 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000189170424 525559289 /nfs/dbraw/zinc/55/92/89/525559289.db2.gz JXNVPTBUQRSMAB-SMDDNHRTSA-N 0 0 315.335 3.935 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC[C@H]2CCCCO2)o1 ZINC000127625871 525798392 /nfs/dbraw/zinc/79/83/92/525798392.db2.gz CWZFPHFJCFYJIZ-CVEARBPZSA-N 0 0 305.418 3.991 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)/C=C/c2cncc(F)c2)o1 ZINC000127635271 525798762 /nfs/dbraw/zinc/79/87/62/525798762.db2.gz LIWFAHQADKYKFS-BVBGJJFLSA-N 0 0 314.360 3.889 10 0 DHAERN Cc1c(F)cccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180696096 525807917 /nfs/dbraw/zinc/80/79/17/525807917.db2.gz CKOBRXLESDDIEB-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN Cc1c(NC(=O)[C@H]2CCCO[C@@H]2C)cccc1C(F)(F)F ZINC000189372764 525857077 /nfs/dbraw/zinc/85/70/77/525857077.db2.gz MJZKLSCVPHSDRZ-MNOVXSKESA-N 0 0 301.308 3.767 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000188895236 525986172 /nfs/dbraw/zinc/98/61/72/525986172.db2.gz KKADFVLFRIUGNC-CMPLNLGQSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776767 526422908 /nfs/dbraw/zinc/42/29/08/526422908.db2.gz FPPYJUVKKJFAIO-INIZCTEOSA-N 0 0 302.443 3.642 10 0 DHAERN Cc1cscc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000176946027 526458999 /nfs/dbraw/zinc/45/89/99/526458999.db2.gz DCMILUHZAFYOTC-LBPRGKRZSA-N 0 0 305.403 3.540 10 0 DHAERN c1nc([C@@H]2CCCCN2CCOc2cccc3ccccc32)n[nH]1 ZINC000182684153 526604072 /nfs/dbraw/zinc/60/40/72/526604072.db2.gz VRDQPXKIUQWFEM-KRWDZBQOSA-N 0 0 322.412 3.564 10 0 DHAERN Clc1ccccc1CCCN1CCCC[C@H]1c1nc[nH]n1 ZINC000182330741 526987363 /nfs/dbraw/zinc/98/73/63/526987363.db2.gz UYOYYIZVIAJISO-HNNXBMFYSA-N 0 0 304.825 3.618 10 0 DHAERN Cn1c(CN2CCc3ccc(C(C)(C)C)cc3C2)nnc1C1CC1 ZINC000182247014 527057076 /nfs/dbraw/zinc/05/70/76/527057076.db2.gz YPYUTRNGSSKACC-UHFFFAOYSA-N 0 0 324.472 3.548 10 0 DHAERN O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180595908 527208482 /nfs/dbraw/zinc/20/84/82/527208482.db2.gz RNVDZZOQAJCKEI-CQSZACIVSA-N 0 0 322.771 3.961 10 0 DHAERN O=C(Nc1ccnc(Cl)c1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000181870168 527453356 /nfs/dbraw/zinc/45/33/56/527453356.db2.gz BFBSNVIJQFDKDD-DTWKUNHWSA-N 0 0 321.730 3.978 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000106209977 527663149 /nfs/dbraw/zinc/66/31/49/527663149.db2.gz LYQRZULXPIVVPQ-MRXNPFEDSA-N 0 0 305.372 3.652 10 0 DHAERN O=C(C/C=C/c1cccc(F)c1)N[C@@H]1CCOc2ccccc21 ZINC000175764081 527669142 /nfs/dbraw/zinc/66/91/42/527669142.db2.gz OUMFEKAUQHINNT-UKINESCASA-N 0 0 311.356 3.869 10 0 DHAERN CCCCC(=O)Nc1ccc2c(c1)N(CCCC)C(=O)[C@H](C)O2 ZINC000012335351 534957296 /nfs/dbraw/zinc/95/72/96/534957296.db2.gz NOCTUJVHBNPNNZ-ZDUSSCGKSA-N 0 0 318.417 3.729 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000121006907 535889860 /nfs/dbraw/zinc/88/98/60/535889860.db2.gz IQIDCDMISGKGHU-PBHICJAKSA-N 0 0 314.385 3.652 10 0 DHAERN O=C(CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 ZINC000049181184 560084081 /nfs/dbraw/zinc/08/40/81/560084081.db2.gz UUHCCOYKUNWUQJ-XVNBXDOJSA-N 0 0 301.386 3.611 10 0 biogenic,in-vitro DHAERN Cc1cccc(-c2nccc([C@H]3CCCN(C(=O)C(C)C)C3)n2)c1 ZINC000065135416 563396971 /nfs/dbraw/zinc/39/69/71/563396971.db2.gz DIUFEERXCIENOH-KRWDZBQOSA-N 0 0 323.440 3.814 10 0 DHAERN C[C@H]1CN(c2cc(C(F)(F)F)nc3ccccc32)C[C@H](C)O1 ZINC000026134654 563425359 /nfs/dbraw/zinc/42/53/59/563425359.db2.gz VLCKBWLASSYZRO-QWRGUYRKSA-N 0 0 310.319 3.867 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H](O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O ZINC000035565067 563453354 /nfs/dbraw/zinc/45/33/54/563453354.db2.gz PSDYUQOKDCQVKL-DURQJQQASA-N 0 0 318.457 3.528 10 0 DHAERN Cc1cccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1C ZINC000071790597 563501620 /nfs/dbraw/zinc/50/16/20/563501620.db2.gz WJZVNVWCRRTLEN-HNNXBMFYSA-N 0 0 303.402 3.597 10 0 DHAERN CC(C)(Cl)c1cn(-c2c(F)cccc2Br)nn1 ZINC000725264159 563570245 /nfs/dbraw/zinc/57/02/45/563570245.db2.gz DTVHEEOIDWEEKJ-UHFFFAOYSA-N 0 0 318.577 3.643 10 0 DHAERN Oc1cc2ccc(Br)cc2nc1C1CCOCC1 ZINC000725267378 563573860 /nfs/dbraw/zinc/57/38/60/563573860.db2.gz BSSOSYLZXZFKPA-UHFFFAOYSA-N 0 0 308.175 3.597 10 0 DHAERN CC(C)(C)OC(=O)/C=C/c1ccc(OC(F)(F)F)cc1O ZINC000725273822 563579267 /nfs/dbraw/zinc/57/92/67/563579267.db2.gz KCYWTFXXZJSXFP-FNORWQNLSA-N 0 0 304.264 3.646 10 0 DHAERN C/C(=N\[S@@](=O)C(C)(C)C)c1ccc(Br)cc1 ZINC000141634202 563616883 /nfs/dbraw/zinc/61/68/83/563616883.db2.gz UGAMXWQQSPEBGU-SCZPIIQISA-N 0 0 302.237 3.720 10 0 DHAERN CC(C)(C)OC(=O)N[C@H](CCO)c1ccc(C(F)(F)F)cc1 ZINC000310006040 563676072 /nfs/dbraw/zinc/67/60/72/563676072.db2.gz VMJSTSKBRFBBHW-GFCCVEGCSA-N 0 0 319.323 3.654 10 0 DHAERN CC(C)C(=O)[C@@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000536951402 563889788 /nfs/dbraw/zinc/88/97/88/563889788.db2.gz VEBJMBLKHNUSJR-NSHDSACASA-N 0 0 314.212 3.962 10 0 DHAERN Cc1ccc(Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000036393268 563898392 /nfs/dbraw/zinc/89/83/92/563898392.db2.gz LFKJUCWQWXNZFX-ZIAGYGMSSA-N 0 0 317.458 3.804 10 0 DHAERN CC1CCN(c2ccc(N)cc2NC(=O)c2ccccc2)CC1 ZINC000226254231 563913367 /nfs/dbraw/zinc/91/33/67/563913367.db2.gz VZQNAJHDOMUPQM-UHFFFAOYSA-N 0 0 309.413 3.757 10 0 DHAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccccc2F)c1 ZINC000226254669 563913407 /nfs/dbraw/zinc/91/34/07/563913407.db2.gz LXMUUNAAYDBFHM-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN COC(=O)Cc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 ZINC000077287172 563927726 /nfs/dbraw/zinc/92/77/26/563927726.db2.gz FLAHKXNYFXNLHZ-UHFFFAOYSA-N 0 0 301.729 3.864 10 0 in-vitro DHAERN CC(=O)c1cc(-c2nc(-c3ccc(C)cc3)cs2)c(=O)[nH]c1C ZINC000021365922 563961634 /nfs/dbraw/zinc/96/16/34/563961634.db2.gz JCISAIOWMCZZRM-UHFFFAOYSA-N 0 0 324.405 3.985 10 0 DHAERN CC(C)NS(=O)(=O)c1occc1-c1cscc1C(F)F ZINC000675055444 568420041 /nfs/dbraw/zinc/42/00/41/568420041.db2.gz TXXBPQSPMGCBOI-UHFFFAOYSA-N 0 0 321.370 3.632 10 0 DHAERN O=C([O-])[C@@H]1CCC[N@@H+]1CCCCc1cccc(C(F)(F)F)c1 ZINC000263387674 950430030 /nfs/dbraw/zinc/43/00/30/950430030.db2.gz DJWGPYKPYNSWHI-AWEZNQCLSA-N 0 0 315.335 3.577 10 0 DHAERN C[C@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000385247102 971990190 /nfs/dbraw/zinc/99/01/90/971990190.db2.gz JMDGTKQNPCOHCJ-CQSZACIVSA-N 0 0 310.397 3.581 10 0 DHAERN O=C([O-])CCC1CC[NH+]([C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000127962975 958625866 /nfs/dbraw/zinc/62/58/66/958625866.db2.gz JSPWUBBZHOMZAQ-INIZCTEOSA-N 0 0 307.821 3.904 10 0 DHAERN Cc1cc([C@H](C)[NH2+]Cc2ccccc2CC(=O)[O-])c(C)s1 ZINC000167617524 959349955 /nfs/dbraw/zinc/34/99/55/959349955.db2.gz YHOLPMYKEOITBK-LBPRGKRZSA-N 0 0 303.427 3.843 10 0 DHAERN C[N@H+](Cc1ccccc1Cl)Cc1ccccc1CC(=O)[O-] ZINC000167706231 959356617 /nfs/dbraw/zinc/35/66/17/959356617.db2.gz JGAZYTRCXQILIH-UHFFFAOYSA-N 0 0 303.789 3.599 10 0 DHAERN Brc1ccc(N[C@H]2CCOc3ccccc32)nc1 ZINC000051986954 1013835143 /nfs/dbraw/zinc/83/51/43/1013835143.db2.gz PPBARARGSUZLTB-LBPRGKRZSA-N 0 0 305.175 3.780 10 0 DHAERN O=C([O-])CC[N@H+](Cc1cc(Cl)cs1)Cc1ccccc1 ZINC000701262827 976999798 /nfs/dbraw/zinc/99/97/98/976999798.db2.gz ADGOPYWDPMCQSY-UHFFFAOYSA-N 0 0 309.818 3.878 10 0 DHAERN O=C([O-])c1coc(C[NH2+]CCc2ccc(Cl)c(Cl)c2)c1 ZINC000716302534 977829535 /nfs/dbraw/zinc/82/95/35/977829535.db2.gz PGKYLRZXPJAHAH-UHFFFAOYSA-N 0 0 314.168 3.617 10 0 DHAERN Cc1coc(-c2cccc(NC(=O)C[C@@H](O)c3ccccc3)c2)n1 ZINC000089311435 1032333566 /nfs/dbraw/zinc/33/35/66/1032333566.db2.gz ATIOKIUUQCNSBL-QGZVFWFLSA-N 0 0 322.364 3.712 10 0 DHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)c1cccc2ncccc21 ZINC000089844962 1032365386 /nfs/dbraw/zinc/36/53/86/1032365386.db2.gz PSTJCMWEWUBAPT-BFUOFWGJSA-N 0 0 318.376 3.762 10 0 DHAERN COc1ccccc1[C@H](NC(=O)C(F)=C(C)C)c1ccccn1 ZINC000089959216 1032376333 /nfs/dbraw/zinc/37/63/33/1032376333.db2.gz KEEOHEJZPXUKBF-KRWDZBQOSA-N 0 0 314.360 3.559 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000072524747 1018864308 /nfs/dbraw/zinc/86/43/08/1018864308.db2.gz XRBUQGLPGAPCIM-SJJHQCBESA-N 0 0 318.465 3.587 10 0 DHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1CCc2ccccc21 ZINC000091599555 1019475682 /nfs/dbraw/zinc/47/56/82/1019475682.db2.gz UEAYGBSZTBOLDV-DLBZAZTESA-N 0 0 324.428 3.561 10 0 DHAERN O=C(CSc1ccccn1)N1CCC[C@H]1c1cccs1 ZINC000048397522 1025655821 /nfs/dbraw/zinc/65/58/21/1025655821.db2.gz BDFQSDGOPIPULB-LBPRGKRZSA-N 0 0 304.440 3.599 10 0 DHAERN O=C(c1cccc(F)c1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555144 1025938941 /nfs/dbraw/zinc/93/89/41/1025938941.db2.gz XKERDPDYJKASKF-HNNXBMFYSA-N 0 0 313.372 3.757 10 0 DHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H]1c1nccs1 ZINC000074909406 1030629033 /nfs/dbraw/zinc/62/90/33/1030629033.db2.gz JFBNEUKUDIZVCH-CYBMUJFWSA-N 0 0 306.818 3.703 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3ccco3)C2)cc1 ZINC000078186723 1030921031 /nfs/dbraw/zinc/92/10/31/1030921031.db2.gz OWVLIFIQIYARKM-HOCLYGCPSA-N 0 0 313.397 3.625 10 0 DHAERN CSc1cc(I)ccc1OC1CC1 ZINC000095732665 185383666 /nfs/dbraw/zinc/38/36/66/185383666.db2.gz JUQSQMMOCYTCOM-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN N[C@@H](c1nc2c(s1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000096795223 185388771 /nfs/dbraw/zinc/38/87/71/185388771.db2.gz WJZHCKYDOYFPDD-GFCCVEGCSA-N 0 0 316.323 3.838 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090223322 185287476 /nfs/dbraw/zinc/28/74/76/185287476.db2.gz UCDQYTZAQZHUAL-KBXCAEBGSA-N 0 0 312.461 3.971 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1oc2ccccc2c1C ZINC000090225121 185287565 /nfs/dbraw/zinc/28/75/65/185287565.db2.gz OLMPMMKINQOZCA-DOMZBBRYSA-N 0 0 310.401 3.827 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1sc(C(C)C)nc1C ZINC000090225331 185287656 /nfs/dbraw/zinc/28/76/56/185287656.db2.gz GLMQUNSDLKNYOW-ZWNOBZJWSA-N 0 0 319.478 3.661 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1sc(C(C)C)nc1C ZINC000090225336 185287698 /nfs/dbraw/zinc/28/76/98/185287698.db2.gz GLMQUNSDLKNYOW-GWCFXTLKSA-N 0 0 319.478 3.661 10 0 DHAERN CCCCn1nc2cc(C(=O)NCCC(C)C)ccc2c1OC ZINC000090442555 185296853 /nfs/dbraw/zinc/29/68/53/185296853.db2.gz ZFXKFYFXCAJXOB-UHFFFAOYSA-N 0 0 317.433 3.621 10 0 DHAERN COc1ccccc1[C@H]1SCCC(=O)N1Cc1ccccc1 ZINC000090555253 185303212 /nfs/dbraw/zinc/30/32/12/185303212.db2.gz LPGQPNVTWJTLJN-GOSISDBHSA-N 0 0 313.422 3.860 10 0 DHAERN OCc1nc(Cc2ccc(Cl)cc2Cl)n2ccccc12 ZINC000090728474 185311543 /nfs/dbraw/zinc/31/15/43/185311543.db2.gz FDIPELOSWJCJAT-UHFFFAOYSA-N 0 0 307.180 3.724 10 0 DHAERN COC[C@H](C)C(=O)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000103360489 185447909 /nfs/dbraw/zinc/44/79/09/185447909.db2.gz PMGQKEOPUYYIJM-ZDUSSCGKSA-N 0 0 319.426 3.572 10 0 DHAERN CCCOC(=O)c1cc(-n2cccc2)ccc1N(CC)CC ZINC000226276568 201771695 /nfs/dbraw/zinc/77/16/95/201771695.db2.gz DVOSPMUDSFOXMB-UHFFFAOYSA-N 0 0 300.402 3.890 10 0 DHAERN Cc1ccc(COc2c(Cl)cc(C(N)=O)cc2Cl)cc1 ZINC000226322039 201775746 /nfs/dbraw/zinc/77/57/46/201775746.db2.gz WYXKVHJOLAVBBK-UHFFFAOYSA-N 0 0 310.180 3.980 10 0 DHAERN COc1ccc(-c2ccccc2-n2ccnc2-c2c[nH]cn2)cc1 ZINC000071750453 191021625 /nfs/dbraw/zinc/02/16/25/191021625.db2.gz SVZLYTGIXJJFCN-UHFFFAOYSA-N 0 0 316.364 3.938 10 0 DHAERN Cc1ccc(-c2nc(CCNC(=O)N[C@H](C)C(C)C)co2)cc1 ZINC000072083862 191035017 /nfs/dbraw/zinc/03/50/17/191035017.db2.gz KRXCYJQWDIKNFR-CQSZACIVSA-N 0 0 315.417 3.536 10 0 DHAERN Brc1ccccc1-n1nccc1-c1ccccn1 ZINC000072190534 191073233 /nfs/dbraw/zinc/07/32/33/191073233.db2.gz WXPPJMCFEDRFPM-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN CCc1cc2c(s1)N(C)C(=O)CN=C2c1ccccc1Cl ZINC000000001207 180667558 /nfs/dbraw/zinc/66/75/58/180667558.db2.gz CHBRHODLKOZEPZ-UHFFFAOYSA-N 0 0 318.829 3.778 10 0 world DHAERN Fc1ccc(-c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443398 191167018 /nfs/dbraw/zinc/16/70/18/191167018.db2.gz YODYZADKAAWIJJ-UHFFFAOYSA-N 0 0 305.356 3.845 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3)c(=O)[nH]2)cc1 ZINC000072451023 191169788 /nfs/dbraw/zinc/16/97/88/191169788.db2.gz JGYJLFKWWXNCFW-UHFFFAOYSA-N 0 0 304.349 3.603 10 0 DHAERN Cc1ccccc1Nc1nc2nccc(-c3ccco3)c2c(=O)[nH]1 ZINC000072441037 191167394 /nfs/dbraw/zinc/16/73/94/191167394.db2.gz CULDCLSCTUJBBH-UHFFFAOYSA-N 0 0 318.336 3.630 10 0 DHAERN Brc1ccc(-c2cnn3c4c(cnc23)CCC4)cc1 ZINC000072451867 191171534 /nfs/dbraw/zinc/17/15/34/191171534.db2.gz SAQDULRUEWPLIM-UHFFFAOYSA-N 0 0 314.186 3.648 10 0 DHAERN COc1cc(SC)ccc1C(=O)Nc1nc2ccccc2[nH]1 ZINC000003417796 181016982 /nfs/dbraw/zinc/01/69/82/181016982.db2.gz AJNXREZTYLMNJQ-UHFFFAOYSA-N 0 0 313.382 3.546 10 0 DHAERN CCCCN1c2ccc(NC(=O)C3CC3)c3cccc(c23)C1=O ZINC000004223918 181086306 /nfs/dbraw/zinc/08/63/06/181086306.db2.gz XYYNMUXWJSGCEO-UHFFFAOYSA-N 0 0 308.381 3.949 10 0 DHAERN CCOC(=O)CCN(C(=O)Nc1cccc(Cl)c1)C(C)C ZINC000004753106 181148471 /nfs/dbraw/zinc/14/84/71/181148471.db2.gz MEQCSPVIMULQDW-UHFFFAOYSA-N 0 0 312.797 3.536 10 0 DHAERN Cc1ccc2nc(Nc3ccc(C)c(C)c3)c3nncn3c2c1 ZINC000004835062 181159298 /nfs/dbraw/zinc/15/92/98/181159298.db2.gz KNCDJDLDHVGFQI-UHFFFAOYSA-N 0 0 303.369 3.946 10 0 DHAERN Oc1ccccc1C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000004953040 181179063 /nfs/dbraw/zinc/17/90/63/181179063.db2.gz OEKBIIKUZMEOMM-HNNXBMFYSA-N 0 0 324.771 3.751 10 0 DHAERN O=C(Cc1ccc(F)cc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000005268471 181224987 /nfs/dbraw/zinc/22/49/87/181224987.db2.gz KTRDIOGLDONCSM-UHFFFAOYSA-N 0 0 322.311 3.895 10 0 DHAERN Cc1cn(-c2ccccc2)c(C)c1Cn1nnc2ccccc21 ZINC000005331153 181230426 /nfs/dbraw/zinc/23/04/26/181230426.db2.gz GGSOLQPSMFFZSS-UHFFFAOYSA-N 0 0 302.381 3.887 10 0 DHAERN CSCC[C@H](NC(=O)CC1CCC1)c1nc2ccccc2[nH]1 ZINC000080105646 192002070 /nfs/dbraw/zinc/00/20/70/192002070.db2.gz HPYGILYTXLJQPZ-HNNXBMFYSA-N 0 0 317.458 3.664 10 0 DHAERN Cc1ccc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)nn1 ZINC000085333404 192491901 /nfs/dbraw/zinc/49/19/01/192491901.db2.gz JWKCJLHTZHERAC-CYBMUJFWSA-N 0 0 323.462 3.667 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1coc(-c2cccs2)n1 ZINC000081568328 192293778 /nfs/dbraw/zinc/29/37/78/192293778.db2.gz MGVURSSBJQFSRJ-NSHDSACASA-N 0 0 322.430 3.565 10 0 DHAERN CCc1onc(C)c1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000089413339 192784255 /nfs/dbraw/zinc/78/42/55/192784255.db2.gz PXPUJVXKCKINBH-MRVPVSSYSA-N 0 0 309.316 3.706 10 0 DHAERN CC(C)(C)NC(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000005976499 181302698 /nfs/dbraw/zinc/30/26/98/181302698.db2.gz JFCJNVKKZYQVBN-YHWZYXNKSA-N 0 0 313.532 3.904 10 0 DHAERN COC(=O)Nc1nc2cc(SC3CCCCC3)ccc2[nH]1 ZINC000005997168 181304457 /nfs/dbraw/zinc/30/44/57/181304457.db2.gz LRPJFWDUBNJJKE-UHFFFAOYSA-N 0 0 305.403 3.588 10 0 in-man DHAERN Oc1c(Br)ccc2c1C[C@H](c1ccccc1)OC2 ZINC000006116485 181313141 /nfs/dbraw/zinc/31/31/41/181313141.db2.gz LDHSLLYHMNIOOP-CQSZACIVSA-N 0 0 305.171 3.969 10 0 DHAERN CC(C)(C)NC(=S)NC(=O)/C=C/c1cccc2ccccc12 ZINC000006363814 181334473 /nfs/dbraw/zinc/33/44/73/181334473.db2.gz GVFCJQZIJWWGHN-VAWYXSNFSA-N 0 0 312.438 3.642 10 0 DHAERN CC(=O)NCc1cc(C)cc(-c2cccc(C(F)(F)F)c2)n1 ZINC000090759815 192929572 /nfs/dbraw/zinc/92/95/72/192929572.db2.gz QJLYNNOQCFHRQU-UHFFFAOYSA-N 0 0 308.303 3.712 10 0 DHAERN Cc1ccc(C=CC(=O)NC(=S)N[C@H](C)c2ccccc2)cc1 ZINC000006478648 181344446 /nfs/dbraw/zinc/34/44/46/181344446.db2.gz KKGDELMLQQCBBJ-RDRICISKSA-N 0 0 324.449 3.760 10 0 DHAERN Cc1cc(C(=O)Nc2ccc(F)cc2F)n(-c2ccccc2)n1 ZINC000006772281 181386043 /nfs/dbraw/zinc/38/60/43/181386043.db2.gz GGBQQKKCNLBHPG-UHFFFAOYSA-N 0 0 313.307 3.711 10 0 DHAERN CCOC(=O)c1cc(Cl)nc2cc(Br)ccc21 ZINC000091297274 193034637 /nfs/dbraw/zinc/03/46/37/193034637.db2.gz RQPPQLYGLLRMFC-UHFFFAOYSA-N 0 0 314.566 3.827 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CNc3ccccc32)C1 ZINC000091303107 193035821 /nfs/dbraw/zinc/03/58/21/193035821.db2.gz UVKWHITVTJOVCV-DZGCQCFKSA-N 0 0 302.418 3.843 10 0 DHAERN CCOC(=O)c1cnc2cc(OCc3ccccc3)ccc2c1 ZINC000091692635 193092740 /nfs/dbraw/zinc/09/27/40/193092740.db2.gz OHAYMAAAESSNQZ-UHFFFAOYSA-N 0 0 307.349 3.991 10 0 DHAERN CCc1ccc(C2=CCN(Cc3nnc(C4CC4)n3C)CC2)cc1 ZINC000093263002 193222251 /nfs/dbraw/zinc/22/22/51/193222251.db2.gz CKHJXFSSHFCCNC-UHFFFAOYSA-N 0 0 322.456 3.544 10 0 DHAERN C[C@@H](c1ccc2c(c1)C(C)(C)CCC2(C)C)S(=O)(=O)N(C)C ZINC000095088634 193420665 /nfs/dbraw/zinc/42/06/65/193420665.db2.gz ITAHDOHYRSGSTP-ZDUSSCGKSA-N 0 0 323.502 3.988 10 0 DHAERN Cc1c(F)c(Br)c(F)c(F)c1Br ZINC000096028569 193491408 /nfs/dbraw/zinc/49/14/08/193491408.db2.gz MZOFLMCGNRQXLM-UHFFFAOYSA-N 0 0 303.903 3.937 10 0 DHAERN CCCCc1ccc2c(c1)C1(OCCCO1)C(=O)N2CCCC ZINC000008046772 181522839 /nfs/dbraw/zinc/52/28/39/181522839.db2.gz RFGLHPPQRAOETA-UHFFFAOYSA-N 0 0 317.429 3.766 10 0 DHAERN CC(C)CC(=O)Nc1c2ccccc2oc1C(=O)NC(C)(C)C ZINC000009251234 181610159 /nfs/dbraw/zinc/61/01/59/181610159.db2.gz YWOOWGNGCYSBAH-UHFFFAOYSA-N 0 0 316.401 3.946 10 0 DHAERN Cc1[nH]c(C(=O)C(Cl)(Cl)Cl)cc1Br ZINC000096525866 193676263 /nfs/dbraw/zinc/67/62/63/193676263.db2.gz MPCIEPVSJKJHFE-UHFFFAOYSA-N 0 0 305.386 3.639 10 0 DHAERN Cc1cc(NC(=O)C(C)C)n(-c2cc(C)c3cccc(C)c3n2)n1 ZINC000012293987 181746027 /nfs/dbraw/zinc/74/60/27/181746027.db2.gz GTLIDJYHXPVBGN-UHFFFAOYSA-N 0 0 322.412 3.940 10 0 DHAERN O=C1Cc2cc(Br)ccc2N1Cc1ccccc1 ZINC000012376433 181753098 /nfs/dbraw/zinc/75/30/98/181753098.db2.gz PQBAWLLBXXIFSF-UHFFFAOYSA-N 0 0 302.171 3.538 10 0 DHAERN CCOC(=O)c1ccccc1OC(=O)c1ccccc1Cl ZINC000014017376 181920331 /nfs/dbraw/zinc/92/03/31/181920331.db2.gz YYMWOKXYZLDUGE-UHFFFAOYSA-N 0 0 304.729 3.736 10 0 DHAERN CCCOc1ccc(Br)cc1C(=O)NC(C)(C)C ZINC000014651750 181963927 /nfs/dbraw/zinc/96/39/27/181963927.db2.gz HTJAIEMYASECGU-UHFFFAOYSA-N 0 0 314.223 3.766 10 0 DHAERN Clc1n[nH]c2cc(Br)cc(Br)c12 ZINC000014984070 181981448 /nfs/dbraw/zinc/98/14/48/181981448.db2.gz LFHDPSYPDHUOFL-UHFFFAOYSA-N 0 0 310.376 3.741 10 0 DHAERN CCCCCNC(=S)N(Cc1ccco1)Cc1ccncc1 ZINC000017054416 182071911 /nfs/dbraw/zinc/07/19/11/182071911.db2.gz UBXPKZKWXCIIJA-UHFFFAOYSA-N 0 0 317.458 3.742 10 0 DHAERN Cc1cccc(N2CCN(c3ccc(Cl)cc3N)CC2)c1 ZINC000019231223 182109690 /nfs/dbraw/zinc/10/96/90/182109690.db2.gz DYZUHQJITHFMEF-UHFFFAOYSA-N 0 0 301.821 3.557 10 0 DHAERN Brc1cccc(OCc2cn3ccccc3n2)c1 ZINC000019502870 182126970 /nfs/dbraw/zinc/12/69/70/182126970.db2.gz NZWDIEVAPBEBKE-UHFFFAOYSA-N 0 0 303.159 3.676 10 0 DHAERN COc1ccc(N)cc1OCc1ccccc1Br ZINC000019471370 182124365 /nfs/dbraw/zinc/12/43/65/182124365.db2.gz PFFSUYNBWYNFHU-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN Oc1ccc2c(c1)OC[C@H]2Nc1cccc(Br)c1 ZINC000019941873 182168179 /nfs/dbraw/zinc/16/81/79/182168179.db2.gz LJVVLDUBAPHGKN-CYBMUJFWSA-N 0 0 306.159 3.700 10 0 DHAERN CC[C@@H](C)NC(=O)CNc1cc(C(F)(F)F)ccc1Cl ZINC000020009530 182176919 /nfs/dbraw/zinc/17/69/19/182176919.db2.gz UIOKBXGETMBBFN-MRVPVSSYSA-N 0 0 308.731 3.685 10 0 DHAERN O=c1oc2c(cc(O)cc2-c2cccc(Br)c2)s1 ZINC000020272390 182202566 /nfs/dbraw/zinc/20/25/66/182202566.db2.gz KQALDFHERIAYOC-UHFFFAOYSA-N 0 0 323.167 3.990 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1 ZINC000020336189 182209434 /nfs/dbraw/zinc/20/94/34/182209434.db2.gz ZMGSMKJFLODYKE-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN COc1cccc(NC(=O)c2cc3ccc4cccnc4c3[nH]2)c1 ZINC000020575379 182234787 /nfs/dbraw/zinc/23/47/87/182234787.db2.gz BJADQMGCLLRVFG-UHFFFAOYSA-N 0 0 317.348 3.977 10 0 DHAERN CCCCC(=O)Nc1cccc(NC(=O)c2nccs2)c1 ZINC000021144784 182266942 /nfs/dbraw/zinc/26/69/42/182266942.db2.gz MHPNHUPRPXLFFB-UHFFFAOYSA-N 0 0 303.387 3.524 10 0 DHAERN COC(=O)[C@@H](c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000024228698 182377212 /nfs/dbraw/zinc/37/72/12/182377212.db2.gz WIHGLUDINXPJDZ-QGZVFWFLSA-N 0 0 315.800 3.612 10 0 DHAERN Cc1ccc(-c2[nH]nc(N)c2-c2cccc(Br)c2)o1 ZINC000036766114 182842472 /nfs/dbraw/zinc/84/24/72/182842472.db2.gz HATKIOJDEVSCHR-UHFFFAOYSA-N 0 0 318.174 3.990 10 0 DHAERN Cc1cc(C)n(CCCC(=O)c2ccc(Br)cc2)n1 ZINC000037329194 182882302 /nfs/dbraw/zinc/88/23/02/182882302.db2.gz XVZVNKPAQGWWMW-UHFFFAOYSA-N 0 0 321.218 3.926 10 0 DHAERN COc1cc(C)ccc1OCc1ccc(N)cc1Br ZINC000037516120 182902988 /nfs/dbraw/zinc/90/29/88/182902988.db2.gz JWWHXAOZXPOKQT-UHFFFAOYSA-N 0 0 322.202 3.927 10 0 DHAERN COc1cc(Br)cc(C)c1NCc1ccccn1 ZINC000037776714 182924731 /nfs/dbraw/zinc/92/47/31/182924731.db2.gz YGFMYMYKVIISBO-UHFFFAOYSA-N 0 0 307.191 3.773 10 0 DHAERN CN(CCc1ccccc1)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037983625 182952923 /nfs/dbraw/zinc/95/29/23/182952923.db2.gz RTGNAEISWBEYRI-UHFFFAOYSA-N 0 0 309.196 3.703 10 0 DHAERN Cc1n[nH]cc1CN[C@@H]1CCOc2c(Cl)cc(Cl)cc21 ZINC000038011551 182962472 /nfs/dbraw/zinc/96/24/72/182962472.db2.gz DXTZLFVNUNUEQX-CYBMUJFWSA-N 0 0 312.200 3.638 10 0 DHAERN Cn1nc(Cc2ccc(Cl)cc2Cl)c2ccccc2c1=O ZINC000038143390 182993949 /nfs/dbraw/zinc/99/39/49/182993949.db2.gz JFQCLVISCHEQIP-UHFFFAOYSA-N 0 0 319.191 3.831 10 0 DHAERN Cc1cc(C)cc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)c1 ZINC000039963049 183025354 /nfs/dbraw/zinc/02/53/54/183025354.db2.gz QJQIILACKZWCLG-UHFFFAOYSA-N 0 0 324.355 3.547 10 0 DHAERN CCCCNC(=O)c1nnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000040180058 183044603 /nfs/dbraw/zinc/04/46/03/183044603.db2.gz BGFPDYPAYVONKV-UHFFFAOYSA-N 0 0 320.824 3.574 10 0 DHAERN CCCCn1c(CN(C)C(=O)c2ccncc2)nc2ccccc21 ZINC000040183931 183045033 /nfs/dbraw/zinc/04/50/33/183045033.db2.gz MOKUDPWYSYXXGP-UHFFFAOYSA-N 0 0 322.412 3.504 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)s2)o1 ZINC000040214986 183046169 /nfs/dbraw/zinc/04/61/69/183046169.db2.gz GJUCLOCGYNZFLN-MRVPVSSYSA-N 0 0 314.204 3.903 10 0 DHAERN C/C=C/C(=O)NCCCCCc1nc2ccccc2n1CCC ZINC000040219398 183047099 /nfs/dbraw/zinc/04/70/99/183047099.db2.gz ZTKZQYUEYJWUKP-XCVCLJGOSA-N 0 0 313.445 3.851 10 0 DHAERN Cc1cc(C)cc(OCCn2c(CO)nc3cc(C)c(C)cc32)c1 ZINC000040308953 183053373 /nfs/dbraw/zinc/05/33/73/183053373.db2.gz QMEZKBFKAYVAMN-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN COc1ccc(NC(=O)Cc2cc(-c3ccccc3)no2)cc1 ZINC000040325052 183054030 /nfs/dbraw/zinc/05/40/30/183054030.db2.gz ISLBFHXIFGHPNY-UHFFFAOYSA-N 0 0 308.337 3.531 10 0 DHAERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccccc3)cnc12 ZINC000040359343 183057298 /nfs/dbraw/zinc/05/72/98/183057298.db2.gz IZTQTZRRDYBTDJ-UHFFFAOYSA-N 0 0 312.756 3.742 10 0 DHAERN CC(=O)NCc1nc2ccccc2n1Cc1c(C)cc(C)cc1C ZINC000040274081 183049756 /nfs/dbraw/zinc/04/97/56/183049756.db2.gz MYHYBEDYLLQZGQ-UHFFFAOYSA-N 0 0 321.424 3.646 10 0 DHAERN Cc1cc(C)n(-c2ncnc(Nc3ccc(C(C)C)cc3)c2N)n1 ZINC000040706379 183121189 /nfs/dbraw/zinc/12/11/89/183121189.db2.gz OEQNOQGLKLNBDE-UHFFFAOYSA-N 0 0 322.416 3.728 10 0 DHAERN CC(C)(C)Nc1ncnc(Nc2nc3ccccc3s2)c1N ZINC000040680557 183117052 /nfs/dbraw/zinc/11/70/52/183117052.db2.gz LMNFDULTYJYBGE-UHFFFAOYSA-N 0 0 314.418 3.623 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3cccc(C)n3)c2N)cc1 ZINC000040685695 183117750 /nfs/dbraw/zinc/11/77/50/183117750.db2.gz BHTIYDXARSEXQJ-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3cccc(C)n3)c2N)cc1 ZINC000040685602 183117801 /nfs/dbraw/zinc/11/78/01/183117801.db2.gz GEGIMHXIUAVLEC-UHFFFAOYSA-N 0 0 323.425 3.965 10 0 DHAERN CCc1ccc(Oc2ncnc(Nc3cccc(C)n3)c2N)cc1 ZINC000040685818 183117819 /nfs/dbraw/zinc/11/78/19/183117819.db2.gz VNMHBYLQAUEVHJ-UHFFFAOYSA-N 0 0 321.384 3.861 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)cc1 ZINC000040688387 183117931 /nfs/dbraw/zinc/11/79/31/183117931.db2.gz NKBARRMODUROSR-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Nc1c(Nc2ccccc2)ncnc1Nc1cc(F)ccc1F ZINC000040781119 183133299 /nfs/dbraw/zinc/13/32/99/183133299.db2.gz HSKJDDFRHACYPC-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN CCOc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040782694 183134057 /nfs/dbraw/zinc/13/40/57/183134057.db2.gz NUDBXRXANPKWFK-UHFFFAOYSA-N 0 0 322.368 3.993 10 0 DHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Oc1ccccc1 ZINC000040796098 183135256 /nfs/dbraw/zinc/13/52/56/183135256.db2.gz KIPPVOZKYWSVGI-UHFFFAOYSA-N 0 0 310.332 3.602 10 0 DHAERN Cc1n[nH]c(C)c1SCC(=O)Nc1ccccc1C(C)C ZINC000040839056 183141217 /nfs/dbraw/zinc/14/12/17/183141217.db2.gz SIFGOZBVKVGCQB-UHFFFAOYSA-N 0 0 303.431 3.881 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3nccs3)c2N)c(C)c1 ZINC000040755378 183129367 /nfs/dbraw/zinc/12/93/67/183129367.db2.gz UEDXBDXCUIHTRI-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3ncccc3C)c2N)cc1 ZINC000040758132 183129693 /nfs/dbraw/zinc/12/96/93/183129693.db2.gz BJNCZFYQZTXKJT-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN CN(c1ccccc1)c1ncnc(NCc2ccc(F)cc2)c1N ZINC000040757896 183129890 /nfs/dbraw/zinc/12/98/90/183129890.db2.gz XVGVAQLUYVSHEL-UHFFFAOYSA-N 0 0 323.375 3.578 10 0 DHAERN CCCCC(=O)NC(=S)Nc1ccccc1C(F)(F)F ZINC000040898237 183147327 /nfs/dbraw/zinc/14/73/27/183147327.db2.gz IURPREGWDNZDLH-UHFFFAOYSA-N 0 0 304.337 3.709 10 0 DHAERN CCc1c(C(=O)OC)sc2nc(-c3ccc(CC)cc3)cn21 ZINC000041005711 183155898 /nfs/dbraw/zinc/15/58/98/183155898.db2.gz CJJOPFBYRJSZOA-UHFFFAOYSA-N 0 0 314.410 3.974 10 0 DHAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1cccnc1 ZINC000041057661 183161110 /nfs/dbraw/zinc/16/11/10/183161110.db2.gz WXJUXQNTCDEIOZ-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN O[C@H](CCc1ccccc1)Cc1ccccc1Br ZINC000042406908 183265197 /nfs/dbraw/zinc/26/51/97/183265197.db2.gz PUHIXCKXTMRTDF-OAHLLOKOSA-N 0 0 305.215 3.985 10 0 DHAERN CCCO[C@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000042424668 183268485 /nfs/dbraw/zinc/26/84/85/183268485.db2.gz UYSZBURFSWJHEL-HNNXBMFYSA-N 0 0 312.251 3.840 10 0 DHAERN CCC(CC)N(CCO)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000042506323 183277733 /nfs/dbraw/zinc/27/77/33/183277733.db2.gz QHCIIYZKUYZBKP-UHFFFAOYSA-N 0 0 304.217 3.617 10 0 DHAERN CC[C@@H](NC(=O)c1cc(F)ccc1Br)C(C)C ZINC000042550763 183284170 /nfs/dbraw/zinc/28/41/70/183284170.db2.gz XKXOLJWFHYNBAL-GFCCVEGCSA-N 0 0 302.187 3.753 10 0 DHAERN C[C@H](OC(=O)c1cc(Br)ccc1N)c1ccccc1 ZINC000104173847 193988882 /nfs/dbraw/zinc/98/88/82/193988882.db2.gz GMAKFDBEQDIONS-JTQLQIEISA-N 0 0 320.186 3.949 10 0 DHAERN COc1ccc(Cl)cc1NC=C1C(=O)Nc2ccccc21 ZINC000104489744 194011016 /nfs/dbraw/zinc/01/10/16/194011016.db2.gz HHRXTJGNAUAXAT-FMIVXFBMSA-N 0 0 300.745 3.754 10 0 DHAERN COc1ccsc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000106012101 194178726 /nfs/dbraw/zinc/17/87/26/194178726.db2.gz WWKWGZJXLGHUOK-IUCAKERBSA-N 0 0 307.337 3.608 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000106736156 194247378 /nfs/dbraw/zinc/24/73/78/194247378.db2.gz NMPSUSFAEVLPHL-WDEREUQCSA-N 0 0 319.348 3.802 10 0 DHAERN COc1ccc(Br)cc1COC[C@@H]1CCCCO1 ZINC000049601033 183747513 /nfs/dbraw/zinc/74/75/13/183747513.db2.gz JSQCLLMOEFYEEQ-ZDUSSCGKSA-N 0 0 315.207 3.543 10 0 DHAERN CCNc1snnc1COc1cc(Cl)ccc1Cl ZINC000050830649 183805815 /nfs/dbraw/zinc/80/58/15/183805815.db2.gz FIARUBDPUBJUMO-UHFFFAOYSA-N 0 0 304.202 3.856 10 0 DHAERN CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000053995113 183919270 /nfs/dbraw/zinc/91/92/70/183919270.db2.gz IKWSNVABDVHXBZ-JKSUJKDBSA-N 0 0 303.789 3.859 10 0 DHAERN CCOC(=O)[C@@H](C)CSc1cccc(Br)c1 ZINC000055306437 183977757 /nfs/dbraw/zinc/97/77/57/183977757.db2.gz RNBSMSLJUQEBME-VIFPVBQESA-N 0 0 303.221 3.740 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3F)n2)c1 ZINC000057341942 184034160 /nfs/dbraw/zinc/03/41/60/184034160.db2.gz LHJICXLDLFVAEX-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN COCc1cc(Cl)nc(Nc2ccc(F)cc2Cl)n1 ZINC000057343584 184034536 /nfs/dbraw/zinc/03/45/36/184034536.db2.gz UEZOKWRMDNCKEG-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN CC(C)(C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O ZINC000058575890 184122338 /nfs/dbraw/zinc/12/23/38/184122338.db2.gz FUNJEJVGXFUOOI-UHFFFAOYSA-N 0 0 311.381 3.551 10 0 DHAERN Cc1cc(NC(=O)c2ccc(Br)c(N)c2)ccc1F ZINC000061098288 184161731 /nfs/dbraw/zinc/16/17/31/184161731.db2.gz SNVBXQHFRJRYBP-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN COc1ccc(C[C@H](C(C)C)[C@@H](C)O)cc1Br ZINC000061688796 184183057 /nfs/dbraw/zinc/18/30/57/184183057.db2.gz HYVGDRHUXWMFQT-ZYHUDNBSSA-N 0 0 301.224 3.653 10 0 DHAERN CC(=O)c1ccc(N(C)CC(F)(F)F)c(Br)c1 ZINC000061693757 184183292 /nfs/dbraw/zinc/18/32/92/184183292.db2.gz YCUNNUUBZGCPJX-UHFFFAOYSA-N 0 0 310.113 3.650 10 0 DHAERN C[C@H](O)c1ccc(Oc2ccc(CO)cc2)c(Br)c1 ZINC000061697859 184183841 /nfs/dbraw/zinc/18/38/41/184183841.db2.gz FZYPDBBJTPSJNM-JTQLQIEISA-N 0 0 323.186 3.787 10 0 DHAERN Cc1cc(Br)cn2cc(Cc3ccccc3)nc12 ZINC000062431828 184236198 /nfs/dbraw/zinc/23/61/98/184236198.db2.gz FIIRUUNNHNWHGL-UHFFFAOYSA-N 0 0 301.187 3.996 10 0 DHAERN COc1c(Br)cnc(C)c1OCc1ccccc1 ZINC000064033559 184291861 /nfs/dbraw/zinc/29/18/61/184291861.db2.gz WFTDBMGRZKJKPY-UHFFFAOYSA-N 0 0 308.175 3.740 10 0 DHAERN COc1cc2c(cc1[C@H]1CC(=O)Nc3cc(O)c(C)cc31)CCC2 ZINC000065488381 184353320 /nfs/dbraw/zinc/35/33/20/184353320.db2.gz WXTORMJVMDFFBY-AWEZNQCLSA-N 0 0 323.392 3.672 10 0 DHAERN Cc1ccc(Sc2ccc([C@H]3NCCc4nc[nH]c43)o2)cc1 ZINC000065492066 184353526 /nfs/dbraw/zinc/35/35/26/184353526.db2.gz SWCQRNMZQNXWCT-QGZVFWFLSA-N 0 0 311.410 3.697 10 0 DHAERN Brc1ccc(/C=C\I)s1 ZINC000067173957 184452599 /nfs/dbraw/zinc/45/25/99/184452599.db2.gz DQJRSIXXXRSURU-ARJAWSKDSA-N 0 0 314.973 3.916 10 0 DHAERN O=C(CCc1ccc(F)cc1F)N1CCC[C@H]1c1ccco1 ZINC000151956253 196751498 /nfs/dbraw/zinc/75/14/98/196751498.db2.gz HWTKUYORSYOVEL-HNNXBMFYSA-N 0 0 305.324 3.854 10 0 DHAERN Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)c1cccnc1 ZINC000224340733 257232997 /nfs/dbraw/zinc/23/29/97/257232997.db2.gz NMJIKPDCRZPXHP-UHFFFAOYSA-N 0 0 320.352 3.533 10 0 DHAERN CCc1ccc2occ(C(=O)N3CC[C@@H]4[C@H](C3)C4(F)F)c2c1 ZINC000408517548 257255603 /nfs/dbraw/zinc/25/56/03/257255603.db2.gz KHKFIIHMRCUMTM-KGLIPLIRSA-N 0 0 305.324 3.722 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2c2nnc(C(C)(C)C)s2)no1 ZINC000277269767 130596743 /nfs/dbraw/zinc/59/67/43/130596743.db2.gz SCKIZUIMEOPQIY-SNVBAGLBSA-N 0 0 321.450 3.684 10 0 DHAERN CCCCCN1c2cc(NC(=O)CCC)ccc2O[C@H](C)C1=O ZINC000012296049 134505313 /nfs/dbraw/zinc/50/53/13/134505313.db2.gz BEOKJXZPGNDMQA-CYBMUJFWSA-N 0 0 318.417 3.729 10 0 DHAERN Cc1ncc(CN2CCN([C@H](C)c3cccc(C)c3)CC2)s1 ZINC000173673028 332835517 /nfs/dbraw/zinc/83/55/17/332835517.db2.gz LONIBZGIVDTWSL-OAHLLOKOSA-N 0 0 315.486 3.639 10 0 DHAERN CCc1cnc(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)s1 ZINC000174208950 332847254 /nfs/dbraw/zinc/84/72/54/332847254.db2.gz ROIXHGMYTCIDLM-QMMMGPOBSA-N 0 0 311.357 3.866 10 0 DHAERN C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(Cl)s1 ZINC000170867683 332891885 /nfs/dbraw/zinc/89/18/85/332891885.db2.gz RGDWWWWWTZJZCY-VIFPVBQESA-N 0 0 305.790 3.540 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000170878634 332893776 /nfs/dbraw/zinc/89/37/76/332893776.db2.gz SXSOJCWNCSZJSG-VHSXEESVSA-N 0 0 316.829 3.687 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000175909772 332913294 /nfs/dbraw/zinc/91/32/94/332913294.db2.gz LHBHNMJVYFLSOH-HUUCEWRRSA-N 0 0 316.470 3.538 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cccc2[nH]ccc21 ZINC000175890830 332913729 /nfs/dbraw/zinc/91/37/29/332913729.db2.gz RANMADCYTRHAPG-CQSZACIVSA-N 0 0 323.396 3.895 10 0 DHAERN COc1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083629 331509603 /nfs/dbraw/zinc/50/96/03/331509603.db2.gz CVRRIWNRGQXKQF-NWDGAFQWSA-N 0 0 303.308 3.716 10 0 DHAERN O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109098995 331510069 /nfs/dbraw/zinc/51/00/69/331510069.db2.gz NMLNKSOFWJXGGB-MNOVXSKESA-N 0 0 308.715 3.755 10 0 DHAERN Cc1ccnc(NCC2C[C@@H](C)O[C@H](C)C2)c1Br ZINC000557673066 331807845 /nfs/dbraw/zinc/80/78/45/331807845.db2.gz SFPHPMKEWHYBIQ-GHMZBOCLSA-N 0 0 313.239 3.768 10 0 DHAERN Cc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1Br ZINC000085628837 332013747 /nfs/dbraw/zinc/01/37/47/332013747.db2.gz FDHRPARELYEWII-YUTCNCBUSA-N 0 0 310.235 3.983 10 0 DHAERN CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087294283 332029755 /nfs/dbraw/zinc/02/97/55/332029755.db2.gz CDJNOXRQPDXALI-LSDHHAIUSA-N 0 0 322.424 3.653 10 0 DHAERN O=C(N[C@@H]1CCCc2ccccc21)c1occc1Br ZINC000176437348 332940939 /nfs/dbraw/zinc/94/09/39/332940939.db2.gz SVAOSZCUQIJFEU-CYBMUJFWSA-N 0 0 320.186 3.850 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)c1cc(Cl)ccc1F ZINC000133270873 332138760 /nfs/dbraw/zinc/13/87/60/332138760.db2.gz GRVZOJWLIMQJPU-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN COC1(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CCC1 ZINC000180869634 332142626 /nfs/dbraw/zinc/14/26/26/332142626.db2.gz JRAGMVPWJDSGAK-IRXDYDNUSA-N 0 0 301.430 3.599 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)CSc2ccncc2)c2ccccc21 ZINC000125352244 332446555 /nfs/dbraw/zinc/44/65/55/332446555.db2.gz SPYDIKBXSYXGHQ-DYVFJYSZSA-N 0 0 312.438 3.929 10 0 DHAERN CCC[C@@H]([NH2+]CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000185043188 335110550 /nfs/dbraw/zinc/11/05/50/335110550.db2.gz BMTBCAFEKIXSQV-MRXNPFEDSA-N 0 0 307.434 3.596 10 0 DHAERN Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)n1 ZINC000151235765 332564804 /nfs/dbraw/zinc/56/48/04/332564804.db2.gz UBFCRUGTBRFMOV-RTBURBONSA-N 0 0 308.425 3.933 10 0 DHAERN COC[C@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)C1CC1 ZINC000178605608 333016708 /nfs/dbraw/zinc/01/67/08/333016708.db2.gz ZJWPLRKCKFKUQF-GUYCJALGSA-N 0 0 304.434 3.595 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2C)cc1OC ZINC000178908542 333022107 /nfs/dbraw/zinc/02/21/07/333022107.db2.gz SYMBKVVGSQFHAQ-GFCCVEGCSA-N 0 0 317.360 3.642 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccc(O)c1)[C@H](C)C2 ZINC000181577153 333031118 /nfs/dbraw/zinc/03/11/18/333031118.db2.gz JVMFAZQKRVTYRC-BIENJYKASA-N 0 0 324.424 3.994 10 0 DHAERN C[C@H](C1CC1)N(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000171747921 333053874 /nfs/dbraw/zinc/05/38/74/333053874.db2.gz JHADBLWVBIOOLD-KMUNFCNLSA-N 0 0 305.368 3.858 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)NCCc1cccc(Br)c1 ZINC000314157177 333090315 /nfs/dbraw/zinc/09/03/15/333090315.db2.gz GQLCKUFQBRNIJV-SMDDNHRTSA-N 0 0 310.235 3.544 10 0 DHAERN CC(C)N(C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)C1CC1 ZINC000176380063 333112630 /nfs/dbraw/zinc/11/26/30/333112630.db2.gz KSFBNHVYUBRJDH-AWEZNQCLSA-N 0 0 312.417 3.516 10 0 DHAERN COC(=O)C1CCC(C(=O)N(C)c2ccc(C)c(Cl)c2)CC1 ZINC000179502411 333151616 /nfs/dbraw/zinc/15/16/16/333151616.db2.gz HNACVQUYBCOARX-UHFFFAOYSA-N 0 0 323.820 3.591 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000187981648 333156023 /nfs/dbraw/zinc/15/60/23/333156023.db2.gz DLITZDXISITJDB-CXAGYDPISA-N 0 0 303.402 3.762 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C(C)C)nn1C)[C@@H](C)C2 ZINC000182207764 333190461 /nfs/dbraw/zinc/19/04/61/333190461.db2.gz IJTHHIBEJZIDJR-UGSOOPFHSA-N 0 0 311.429 3.515 10 0 DHAERN CC(C)[C@H](CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000216284143 333207064 /nfs/dbraw/zinc/20/70/64/333207064.db2.gz RBQDRTAESCCGTJ-OTWHNJEPSA-N 0 0 315.457 3.986 10 0 DHAERN Nc1ccccc1NC(=O)CSCc1ccc(Cl)cc1 ZINC000119247409 333245462 /nfs/dbraw/zinc/24/54/62/333245462.db2.gz VUBXGLREOYLJQL-UHFFFAOYSA-N 0 0 306.818 3.794 10 0 DHAERN C[C@@H](NC(=O)CCOCC(F)F)c1ccc2ccccc2c1 ZINC000190621550 333272905 /nfs/dbraw/zinc/27/29/05/333272905.db2.gz PLTAWQUSEPYBAP-GFCCVEGCSA-N 0 0 307.340 3.689 10 0 DHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCNCc2ccccc21 ZINC000062818514 333337462 /nfs/dbraw/zinc/33/74/62/333337462.db2.gz PVXNBQXTNHWROI-UHFFFAOYSA-N 0 0 321.207 3.743 10 0 DHAERN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000188433316 333366441 /nfs/dbraw/zinc/36/64/41/333366441.db2.gz JQOYUQGMRDBDCE-BFHYXJOUSA-N 0 0 300.402 3.623 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)c2cn3ccnc3s2)c2ccccc21 ZINC000188544055 333373321 /nfs/dbraw/zinc/37/33/21/333373321.db2.gz KVCREYRIRGDOPO-RISCZKNCSA-N 0 0 311.410 3.764 10 0 DHAERN Cc1cc(CNC(=O)C[C@H](O)C(C)C)ccc1-c1ccccc1 ZINC000186820065 333379319 /nfs/dbraw/zinc/37/93/19/333379319.db2.gz GCWBMSYTSDGJAO-IBGZPJMESA-N 0 0 311.425 3.685 10 0 DHAERN COc1ccc([C@H](C)NC(=O)CC2CCCCC2)cc1OC ZINC000045381344 333399322 /nfs/dbraw/zinc/39/93/22/333399322.db2.gz HNZAPESTQUMTIH-ZDUSSCGKSA-N 0 0 305.418 3.851 10 0 DHAERN Cc1ccccc1[C@H](NCc1cc(C(N)=O)co1)c1ccccc1 ZINC000187714830 334269385 /nfs/dbraw/zinc/26/93/85/334269385.db2.gz QDKBBKRCSVZYRD-LJQANCHMSA-N 0 0 320.392 3.566 10 0 DHAERN COC(=O)c1ccc(CNc2nc3ccc(C)cc3s2)o1 ZINC000187892141 334344410 /nfs/dbraw/zinc/34/44/10/334344410.db2.gz IIGZAXGYCUJGBS-UHFFFAOYSA-N 0 0 302.355 3.596 10 0 DHAERN CC(C)Oc1cncc(N[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000125899722 334820468 /nfs/dbraw/zinc/82/04/68/334820468.db2.gz RLMJTGFEOPDYIP-CQSZACIVSA-N 0 0 323.400 3.623 10 0 DHAERN CC(C)(CC(=O)N1CCCc2c(N)cccc21)c1ccccc1 ZINC000126511289 334862263 /nfs/dbraw/zinc/86/22/63/334862263.db2.gz DPEQMZFCMXDJHX-UHFFFAOYSA-N 0 0 308.425 3.916 10 0 DHAERN Cc1cnn(CCNc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000127470155 334878981 /nfs/dbraw/zinc/87/89/81/334878981.db2.gz IMPBPPXBVGTZBF-UHFFFAOYSA-N 0 0 302.378 3.566 10 0 DHAERN CO[C@H](C)CNC(=O)c1ccccc1Sc1ccccc1 ZINC000189854609 334914571 /nfs/dbraw/zinc/91/45/71/334914571.db2.gz MYHNPYWIUSTSPT-CYBMUJFWSA-N 0 0 301.411 3.603 10 0 DHAERN CCCCO[C@H](C)C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000113205760 335212020 /nfs/dbraw/zinc/21/20/20/335212020.db2.gz RRZCFIULMJLYOW-ZIAGYGMSSA-N 0 0 324.490 3.617 10 0 DHAERN Cc1cnc([C@H](C)NCc2cccc(Br)c2F)o1 ZINC000395025926 335644657 /nfs/dbraw/zinc/64/46/57/335644657.db2.gz UKZZEJCFPMCWEK-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000191747518 335842008 /nfs/dbraw/zinc/84/20/08/335842008.db2.gz SLVYJZNSPDHXEG-ZWNOBZJWSA-N 0 0 320.389 3.703 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(F)c(Cl)cc1F ZINC000179240227 335948013 /nfs/dbraw/zinc/94/80/13/335948013.db2.gz IBGXTWKTKCWYIS-AWEZNQCLSA-N 0 0 323.726 3.872 10 0 DHAERN CCC(C)(C)CNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000192328880 336031265 /nfs/dbraw/zinc/03/12/65/336031265.db2.gz WHWKCTFIJLIMLL-LBPRGKRZSA-N 0 0 308.422 3.500 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000103362965 336240256 /nfs/dbraw/zinc/24/02/56/336240256.db2.gz AIPRLYVRLHAUAU-GFCCVEGCSA-N 0 0 310.353 3.716 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000103372580 336240353 /nfs/dbraw/zinc/24/03/53/336240353.db2.gz DWVGWPPJRYCFEE-ZDUSSCGKSA-N 0 0 317.360 3.626 10 0 DHAERN COC[C@@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000103372472 336240406 /nfs/dbraw/zinc/24/04/06/336240406.db2.gz FNOBVSLVIBQSKX-NXEZZACHSA-N 0 0 304.217 3.795 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000103390882 336241458 /nfs/dbraw/zinc/24/14/58/336241458.db2.gz SITWCRUCUCWIGZ-CABCVRRESA-N 0 0 307.434 3.571 10 0 DHAERN Cc1ccc(CN(C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000043165771 336246492 /nfs/dbraw/zinc/24/64/92/336246492.db2.gz LQIYDSSZMSGFHJ-KRWDZBQOSA-N 0 0 310.397 3.660 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)C1CC1)c1ccccc1Br ZINC000043632492 336269614 /nfs/dbraw/zinc/26/96/14/336269614.db2.gz JCRSFJMOFKDBSK-UWVGGRQHSA-N 0 0 311.223 3.608 10 0 DHAERN Brc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)s1 ZINC000043678526 336270632 /nfs/dbraw/zinc/27/06/32/336270632.db2.gz ROBIAHQOOFDVPX-RYUDHWBXSA-N 0 0 316.264 3.654 10 0 DHAERN COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000043721412 336271287 /nfs/dbraw/zinc/27/12/87/336271287.db2.gz YFSNOJISOFNPHG-NEPJUHHUSA-N 0 0 320.364 3.857 10 0 DHAERN CC(C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000104981614 336273307 /nfs/dbraw/zinc/27/33/07/336273307.db2.gz QDVVZOZUWJAXIO-KRWDZBQOSA-N 0 0 301.434 3.512 10 0 DHAERN Cc1nc(CNc2ncnc3sc4c(c32)CCCC4)oc1C ZINC000301059728 336287827 /nfs/dbraw/zinc/28/78/27/336287827.db2.gz BOEVRXWVPJWWRL-UHFFFAOYSA-N 0 0 314.414 3.787 10 0 DHAERN CCc1cc2c(ncnc2N[C@H]2CCN(c3ccccc3)C2)s1 ZINC000301208778 336294950 /nfs/dbraw/zinc/29/49/50/336294950.db2.gz VAEDTYLAKKCPIH-ZDUSSCGKSA-N 0 0 324.453 3.945 10 0 DHAERN c1cnc(NCCCSc2nc3ccccc3s2)nc1 ZINC000301213786 336295306 /nfs/dbraw/zinc/29/53/06/336295306.db2.gz XUONTTJMCIHPNT-UHFFFAOYSA-N 0 0 302.428 3.681 10 0 DHAERN C[C@@H]1[C@H](C)SCCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC000301263715 336297456 /nfs/dbraw/zinc/29/74/56/336297456.db2.gz DUVCYKDAGHVMOK-NEPJUHHUSA-N 0 0 319.405 3.738 10 0 DHAERN Cc1n[nH]c(C)c1CNc1ccc2c(Cl)ccnc2c1F ZINC000301276173 336298256 /nfs/dbraw/zinc/29/82/56/336298256.db2.gz YXDFSBWRMLRJSN-UHFFFAOYSA-N 0 0 304.756 3.979 10 0 DHAERN CC(C)(C)[C@@H]1OCC[C@H]1CNc1ccc(Br)cn1 ZINC000301359908 336302457 /nfs/dbraw/zinc/30/24/57/336302457.db2.gz LXATYWSTIHFSFE-GXFFZTMASA-N 0 0 313.239 3.707 10 0 DHAERN CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2CC=CC[C@H]2C1 ZINC000301401113 336304486 /nfs/dbraw/zinc/30/44/86/336304486.db2.gz BZCQGSCZNNWIPB-GJZGRUSLSA-N 0 0 322.408 3.814 10 0 DHAERN CC(C)(C)c1cn2nc(N3C[C@H]4CCCC[C@@H]4C3)sc2n1 ZINC000301542282 336313558 /nfs/dbraw/zinc/31/35/58/336313558.db2.gz KHGSBGFFIDMCBI-VXGBXAGGSA-N 0 0 304.463 3.715 10 0 DHAERN C[C@@H](Cc1cccc(F)c1)Nc1c(F)c(F)nc(F)c1F ZINC000301604128 336317870 /nfs/dbraw/zinc/31/78/70/336317870.db2.gz LPBMXAUPBSKHTG-ZETCQYMHSA-N 0 0 302.246 3.820 10 0 DHAERN Cc1nc(Cl)cc(NCc2cc(Cl)c(Cl)n2C)n1 ZINC000301622204 336318905 /nfs/dbraw/zinc/31/89/05/336318905.db2.gz FRESOCOMFQPQSC-UHFFFAOYSA-N 0 0 305.596 3.696 10 0 DHAERN CCS[C@H]1CC[C@@]1(O)CNc1cc(C)nc2c(F)cccc12 ZINC000301667864 336322176 /nfs/dbraw/zinc/32/21/76/336322176.db2.gz MJTHKMNZYIPFCN-DOTOQJQBSA-N 0 0 320.433 3.741 10 0 DHAERN Cc1cccc2c(N3CCC(N4CCCCC4=O)CC3)cc[nH+]c12 ZINC000301728195 336326004 /nfs/dbraw/zinc/32/60/04/336326004.db2.gz WCKNPAHQINJUSK-UHFFFAOYSA-N 0 0 323.440 3.525 10 0 DHAERN CCOC(=O)[C@@]1(C)CCN(c2nc(-c3ccccc3)cs2)C1 ZINC000301740139 336326847 /nfs/dbraw/zinc/32/68/47/336326847.db2.gz DJZJWWKCGVBEIS-KRWDZBQOSA-N 0 0 316.426 3.590 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2ncnc3sc4c(c32)CCC4)C1 ZINC000301759600 336328107 /nfs/dbraw/zinc/32/81/07/336328107.db2.gz FPNJCIZHTZODNW-MNOVXSKESA-N 0 0 303.431 3.550 10 0 DHAERN CCOC(=O)[C@]1(C)CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000301764303 336328436 /nfs/dbraw/zinc/32/84/36/336328436.db2.gz NBSCZAWBZLGYRW-QGZVFWFLSA-N 0 0 318.804 3.668 10 0 DHAERN C[C@@H](O)[C@@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301798072 336330631 /nfs/dbraw/zinc/33/06/31/336330631.db2.gz VBAADLNTJCNHQH-GHMZBOCLSA-N 0 0 308.784 3.625 10 0 DHAERN CCc1ncnc(Sc2nnc(C3CCCCC3)o2)c1F ZINC000301945101 336339277 /nfs/dbraw/zinc/33/92/77/336339277.db2.gz WYBNRBDXQLDHBM-UHFFFAOYSA-N 0 0 308.382 3.760 10 0 DHAERN CC(C)c1nsc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000301958288 336339975 /nfs/dbraw/zinc/33/99/75/336339975.db2.gz OIBSURHEPXQCGH-TZMCWYRMSA-N 0 0 303.431 3.628 10 0 DHAERN Cc1ccc2ncnc(N3C[C@H](C)OC[C@H]3c3ccccc3)c2c1 ZINC000301964936 336340304 /nfs/dbraw/zinc/34/03/04/336340304.db2.gz UKFCVDDCQCDBTJ-KXBFYZLASA-N 0 0 319.408 3.905 10 0 DHAERN Fc1ccc([C@H]2OCC[C@@H]2Nc2ccnc(Cl)c2)cc1F ZINC000302001341 336342518 /nfs/dbraw/zinc/34/25/18/336342518.db2.gz JFSRYHQTVIRVKS-DZGCQCFKSA-N 0 0 310.731 3.955 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nnc(Cc3ccccc3F)s2)C1 ZINC000302073704 336346979 /nfs/dbraw/zinc/34/69/79/336346979.db2.gz HXCMUSSLQWQXOL-OLZOCXBDSA-N 0 0 321.421 3.638 10 0 DHAERN C[C@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C[C@H]1O ZINC000302119321 336349348 /nfs/dbraw/zinc/34/93/48/336349348.db2.gz CYWFVBDTOYKKEP-IINYFYTJSA-N 0 0 308.834 3.671 10 0 DHAERN Cc1nc2c(c(N[C@@H]3CCO[C@@H]3c3ccccc3)n1)CCCC2 ZINC000302123215 336349553 /nfs/dbraw/zinc/34/95/53/336349553.db2.gz YSEXVNCATDKDBB-QZTJIDSGSA-N 0 0 309.413 3.606 10 0 DHAERN Cc1ccc2c(c1)[C@H](Nc1ccc(S(C)(=O)=O)cc1)[C@H](C)C2 ZINC000302124787 336349663 /nfs/dbraw/zinc/34/96/63/336349663.db2.gz FMJSQZAVWDWSLY-FZKQIMNGSA-N 0 0 315.438 3.744 10 0 DHAERN CCc1cc(N[C@@H](C)c2cccc(-n3ccnc3)c2)nc(C)n1 ZINC000302127336 336349838 /nfs/dbraw/zinc/34/98/38/336349838.db2.gz ZYOFZPXXCLMKFA-ZDUSSCGKSA-N 0 0 307.401 3.706 10 0 DHAERN Cc1nc(CN(C)c2nc(-c3ccccc3Cl)cs2)no1 ZINC000302190856 336353281 /nfs/dbraw/zinc/35/32/81/336353281.db2.gz VNOZAFITYYNDKJ-UHFFFAOYSA-N 0 0 320.805 3.791 10 0 DHAERN CC[C@@H](Nc1nccn2c1nnc2C1CC1)c1ccc(OC)cc1 ZINC000302220017 336354647 /nfs/dbraw/zinc/35/46/47/336354647.db2.gz RORNHXSJQUUAOB-OAHLLOKOSA-N 0 0 323.400 3.574 10 0 DHAERN OCCC1(CNc2nc(-c3ccccc3)nc3ccccc32)CC1 ZINC000302429234 336358736 /nfs/dbraw/zinc/35/87/36/336358736.db2.gz KUXUULQRYCRUEU-UHFFFAOYSA-N 0 0 319.408 3.871 10 0 DHAERN Cc1cc2c(n1C)CCC[C@@H]2Nc1nc(C(C)(C)C)ns1 ZINC000302553438 336361608 /nfs/dbraw/zinc/36/16/08/336361608.db2.gz WZCZFVAHDCLSDJ-LBPRGKRZSA-N 0 0 304.463 3.972 10 0 DHAERN OCCN(c1nc(-c2ccccc2)nc2ccccc21)C1CCC1 ZINC000302587630 336362002 /nfs/dbraw/zinc/36/20/02/336362002.db2.gz VRWJVTHPMRKOIL-UHFFFAOYSA-N 0 0 319.408 3.648 10 0 DHAERN C[C@@H]1CCSCCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC000302691194 336365155 /nfs/dbraw/zinc/36/51/55/336365155.db2.gz CLHBBOLYDWXYQI-GFCCVEGCSA-N 0 0 303.406 3.615 10 0 DHAERN CCc1nnc(N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)nc1CC ZINC000302753486 336367884 /nfs/dbraw/zinc/36/78/84/336367884.db2.gz VCYWNUJJZYQKPR-BLLLJJGKSA-N 0 0 314.433 3.875 10 0 DHAERN c1ccc(-c2nc(=NOC[C@@H]3CCOC3)c3ccccc3[nH]2)cc1 ZINC000302777061 336368628 /nfs/dbraw/zinc/36/86/28/336368628.db2.gz PDQUZZRMHAWQLF-CQSZACIVSA-N 0 0 321.380 3.677 10 0 DHAERN Cc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1OC(F)F ZINC000114816371 336701761 /nfs/dbraw/zinc/70/17/61/336701761.db2.gz NGPUEDNMCGDLEH-JTQLQIEISA-N 0 0 316.373 3.566 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116479419 336840548 /nfs/dbraw/zinc/84/05/48/336840548.db2.gz BGKUCKJZOAJZKZ-HNNXBMFYSA-N 0 0 313.357 3.607 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119116440 336880563 /nfs/dbraw/zinc/88/05/63/336880563.db2.gz USQXYVIRUUQPFB-BLLLJJGKSA-N 0 0 324.465 3.986 10 0 DHAERN O=C(Nc1cccc(C(F)F)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000120150911 336900031 /nfs/dbraw/zinc/90/00/31/336900031.db2.gz YBSNAXVGYBSMSU-CXAGYDPISA-N 0 0 324.371 3.783 10 0 DHAERN CCC[C@]1(COC)CCCN1C(=O)N[C@H](C)c1ccc(C)o1 ZINC000193453389 336933952 /nfs/dbraw/zinc/93/39/52/336933952.db2.gz MAYRQAWQFHHZAJ-RHSMWYFYSA-N 0 0 308.422 3.640 10 0 DHAERN O=C(N1CCO[C@@H]2CCCC[C@@H]21)C1(Cc2ccccc2)CCC1 ZINC000122027150 336990902 /nfs/dbraw/zinc/99/09/02/336990902.db2.gz BFQSVEMNXHAHGO-ZWKOTPCHSA-N 0 0 313.441 3.569 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cccc(OCCF)c2)o1 ZINC000122842703 337027031 /nfs/dbraw/zinc/02/70/31/337027031.db2.gz PRZGESNFAPWVRV-GFCCVEGCSA-N 0 0 306.337 3.819 10 0 DHAERN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCS[C@H](C)C1 ZINC000170881704 337083275 /nfs/dbraw/zinc/08/32/75/337083275.db2.gz YYPRDLMLNANKRC-UKRRQHHQSA-N 0 0 322.474 3.683 10 0 DHAERN Cc1cc2cc(NC(=O)N3CCC[C@H]3c3cnn(C)c3)ccc2[nH]1 ZINC000171403134 337087187 /nfs/dbraw/zinc/08/71/87/337087187.db2.gz KISKNFXIIBJYNZ-KRWDZBQOSA-N 0 0 323.400 3.579 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2cccc(C(F)F)c2)cn1 ZINC000171514831 337087709 /nfs/dbraw/zinc/08/77/09/337087709.db2.gz ZOPGRVQVHTYDGM-AWEZNQCLSA-N 0 0 320.343 3.727 10 0 DHAERN CC(C)c1csc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000172042856 337091052 /nfs/dbraw/zinc/09/10/52/337091052.db2.gz SAHMEYYKRDGTOW-ZDUSSCGKSA-N 0 0 319.434 3.749 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593879 337130159 /nfs/dbraw/zinc/13/01/59/337130159.db2.gz IPFKFAHDWDBXMN-MNOVXSKESA-N 0 0 308.328 3.544 10 0 DHAERN COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(C)o1 ZINC000172593757 337130222 /nfs/dbraw/zinc/13/02/22/337130222.db2.gz SMDGKEVODLTUJW-ZIAGYGMSSA-N 0 0 316.401 3.583 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCCC3CCCC3)C2)no1 ZINC000173057999 337131811 /nfs/dbraw/zinc/13/18/11/337131811.db2.gz SBHSCVSXARKWPQ-INIZCTEOSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000173069255 337131866 /nfs/dbraw/zinc/13/18/66/337131866.db2.gz UOJAFRBKXOUVSE-SCOAYWHSSA-N 0 0 312.438 3.871 10 0 DHAERN COCc1cc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000173076672 337132045 /nfs/dbraw/zinc/13/20/45/337132045.db2.gz IXHYWRXAXACIEI-ZDUSSCGKSA-N 0 0 316.401 3.511 10 0 DHAERN Cc1cc(F)cc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173922189 337137596 /nfs/dbraw/zinc/13/75/96/337137596.db2.gz URIOMZRLSQTJBZ-AWEZNQCLSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CC[C@H]3CC[C@H](C)O3)C2)n1 ZINC000174606067 337142782 /nfs/dbraw/zinc/14/27/82/337142782.db2.gz HBFBYLMEOURVSA-RRFJBIMHSA-N 0 0 322.474 3.505 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000174752662 337143434 /nfs/dbraw/zinc/14/34/34/337143434.db2.gz XIFNAWMYKLEXAZ-QGZVFWFLSA-N 0 0 313.784 3.960 10 0 DHAERN CCC(CC)CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000175105308 337144532 /nfs/dbraw/zinc/14/45/32/337144532.db2.gz RECLORPHPKOPLI-AWEZNQCLSA-N 0 0 309.479 3.777 10 0 DHAERN O=C(c1occc1Br)N1CCC[C@@H]1c1ccco1 ZINC000177383528 337155748 /nfs/dbraw/zinc/15/57/48/337155748.db2.gz UZTBGUSEPBYBFS-SNVBAGLBSA-N 0 0 310.147 3.612 10 0 DHAERN CCOc1c(F)cccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000175212620 337146261 /nfs/dbraw/zinc/14/62/61/337146261.db2.gz OYSPQTCBIKMQDC-CQSZACIVSA-N 0 0 303.333 3.795 10 0 DHAERN Cc1cccc(CNC(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000176194739 337149646 /nfs/dbraw/zinc/14/96/46/337149646.db2.gz NNYJUPAMGULYHY-OAHLLOKOSA-N 0 0 315.442 3.888 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000176052124 337150242 /nfs/dbraw/zinc/15/02/42/337150242.db2.gz HNQIZYXESOSXJQ-INIZCTEOSA-N 0 0 317.458 3.856 10 0 DHAERN Cc1nc(CCCC(=O)N2CCC[C@H]2c2ccco2)cs1 ZINC000176601762 337152298 /nfs/dbraw/zinc/15/22/98/337152298.db2.gz ZLTJOLVKIWVHSR-AWEZNQCLSA-N 0 0 304.415 3.731 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177176958 337154512 /nfs/dbraw/zinc/15/45/12/337154512.db2.gz IGXBLMYOQNZRAZ-DOTOQJQBSA-N 0 0 305.466 3.789 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000177167008 337154519 /nfs/dbraw/zinc/15/45/19/337154519.db2.gz LTRLKTJFYXJNTE-YJBOKZPZSA-N 0 0 317.477 3.789 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177187053 337154602 /nfs/dbraw/zinc/15/46/02/337154602.db2.gz JPROALUHXMXRIC-RDJZCZTQSA-N 0 0 305.466 3.789 10 0 DHAERN CSCC(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177961311 337159356 /nfs/dbraw/zinc/15/93/56/337159356.db2.gz MCMGUWCVTHBVAG-LDYMZIIASA-N 0 0 304.242 3.576 10 0 DHAERN Cn1ncc2c1CCC[C@@H]2N[C@@H](c1ccccc1)c1cccnc1 ZINC000178614921 337165578 /nfs/dbraw/zinc/16/55/78/337165578.db2.gz JQXWIVVFWOXUDV-ICSRJNTNSA-N 0 0 318.424 3.572 10 0 DHAERN CCC[C@H](C(=O)N1CCC[C@@H](n2ccnc2CC)C1)C(C)C ZINC000179409896 337167843 /nfs/dbraw/zinc/16/78/43/337167843.db2.gz DOTVUEKDQCVAEH-CVEARBPZSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1scc(C(=O)N[C@@H](C)COCc2ccccc2)c1C ZINC000179948852 337172622 /nfs/dbraw/zinc/17/26/22/337172622.db2.gz UKJAYCFBNKBFDF-LBPRGKRZSA-N 0 0 303.427 3.700 10 0 DHAERN Cc1csc([C@H]2CN(CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974919 337172919 /nfs/dbraw/zinc/17/29/19/337172919.db2.gz JWJSJKLJNVTFFB-MRXNPFEDSA-N 0 0 316.470 3.803 10 0 DHAERN Cc1cc(C[NH+]2CCC(Nc3cccnn3)CC2)ccc1Cl ZINC000180430968 337174526 /nfs/dbraw/zinc/17/45/26/337174526.db2.gz IGSDRIUJAMXAGV-UHFFFAOYSA-N 0 0 316.836 3.515 10 0 DHAERN Cc1nc(CCNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)sc1C ZINC000180464729 337174931 /nfs/dbraw/zinc/17/49/31/337174931.db2.gz BRZYZFAIAXWUEQ-SMDDNHRTSA-N 0 0 308.491 3.881 10 0 DHAERN CCc1ccnc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1 ZINC000180152639 337174944 /nfs/dbraw/zinc/17/49/44/337174944.db2.gz QRCQSALYQJECBW-SFHVURJKSA-N 0 0 324.424 3.636 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2cccc(C[S@](C)=O)c2)CC(C)(C)C1 ZINC000180191669 337175325 /nfs/dbraw/zinc/17/53/25/337175325.db2.gz QDFFQMGHUXWZKU-OXDBHQQFSA-N 0 0 321.486 3.966 10 0 DHAERN Cc1c(C[NH2+]C2c3ccccc3CCc3ccccc32)cnn1C ZINC000181026985 337179332 /nfs/dbraw/zinc/17/93/32/337179332.db2.gz CCIQCLQLEBKOPV-UHFFFAOYSA-N 0 0 317.436 3.706 10 0 DHAERN Cc1noc(C)c1CCC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181250445 337180627 /nfs/dbraw/zinc/18/06/27/337180627.db2.gz JHOSQMVFFKGUMZ-CWTRNNRKSA-N 0 0 312.413 3.582 10 0 DHAERN Cc1oncc1CN1C[C@@H](c2ccccc2Cl)OCC1(C)C ZINC000181698255 337183736 /nfs/dbraw/zinc/18/37/36/337183736.db2.gz UBFXDYNOSMNPSS-INIZCTEOSA-N 0 0 320.820 3.989 10 0 DHAERN COC(=O)c1ccc(F)c(CN2CCC[C@@H]2c2ccco2)c1 ZINC000181946178 337185432 /nfs/dbraw/zinc/18/54/32/337185432.db2.gz FLAXTMLWSXLRLS-OAHLLOKOSA-N 0 0 303.333 3.542 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(O)c1 ZINC000182825360 337188522 /nfs/dbraw/zinc/18/85/22/337188522.db2.gz PFHQDIKEYPTSDM-KRWDZBQOSA-N 0 0 323.392 3.959 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000182484537 337188603 /nfs/dbraw/zinc/18/86/03/337188603.db2.gz PUHAYYJLNGZKFK-UKRRQHHQSA-N 0 0 316.445 3.789 10 0 DHAERN C[C@H]1C[C@@H](C(=O)NCc2nc3ccccc3n2C)CC(C)(C)C1 ZINC000182638585 337189242 /nfs/dbraw/zinc/18/92/42/337189242.db2.gz JKXGGWNHPNGIGV-UONOGXRCSA-N 0 0 313.445 3.652 10 0 DHAERN COCc1nc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000182787126 337189831 /nfs/dbraw/zinc/18/98/31/337189831.db2.gz SNIGNFKNKHMWAR-CQSZACIVSA-N 0 0 323.396 3.734 10 0 DHAERN C[C@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)c1cccs1 ZINC000182889425 337190659 /nfs/dbraw/zinc/19/06/59/337190659.db2.gz ULFDQLZFSGRYDQ-IPYPFGDCSA-N 0 0 315.442 3.997 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)C[C@@H]2c2cccnc2)o1 ZINC000183000705 337190916 /nfs/dbraw/zinc/19/09/16/337190916.db2.gz ZYXUPGBXJDDARZ-IVMMDQJWSA-N 0 0 313.401 3.837 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC(C)(C)C1 ZINC000183036278 337190996 /nfs/dbraw/zinc/19/09/96/337190996.db2.gz OJWWSDJXZPWGIL-QWRGUYRKSA-N 0 0 322.836 3.840 10 0 DHAERN COC(=O)c1coc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 ZINC000183793471 337193534 /nfs/dbraw/zinc/19/35/34/337193534.db2.gz RZBQXQXVSHFHHN-LBPRGKRZSA-N 0 0 323.348 3.710 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3cc(C)ccn3)C2)n1 ZINC000184131362 337196501 /nfs/dbraw/zinc/19/65/01/337196501.db2.gz DVTWZQNPSUYVFU-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000184668507 337199797 /nfs/dbraw/zinc/19/97/97/337199797.db2.gz HGBZCCPRPGOVHA-OIISXLGYSA-N 0 0 317.429 3.612 10 0 DHAERN CC(C)CCn1cccc1CNc1nnc(C(F)F)s1 ZINC000184859384 337200682 /nfs/dbraw/zinc/20/06/82/337200682.db2.gz ZJDHLOAMCCQVGY-UHFFFAOYSA-N 0 0 300.378 3.935 10 0 DHAERN CSc1cccc(C)c1NC(=O)N[C@H]1COc2ccccc21 ZINC000184951217 337202015 /nfs/dbraw/zinc/20/20/15/337202015.db2.gz XBHASMWYTGYCOX-ZDUSSCGKSA-N 0 0 314.410 3.972 10 0 DHAERN CCOc1ccc(N[C@H]2C[C@H](OCC)C23CCOCC3)c(C)c1 ZINC000186445570 337256112 /nfs/dbraw/zinc/25/61/12/337256112.db2.gz MGQBAJJJANOGTL-ROUUACIJSA-N 0 0 319.445 3.780 10 0 DHAERN CC(C)(C)n1nccc1NC(=O)N[C@@H]1CCCc2ccccc21 ZINC000186470080 337256506 /nfs/dbraw/zinc/25/65/06/337256506.db2.gz XBZFIBLYRWLYNG-OAHLLOKOSA-N 0 0 312.417 3.837 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)c2ccnc3ccncc32)cc1 ZINC000186747082 337259149 /nfs/dbraw/zinc/25/91/49/337259149.db2.gz KGYLUBXZQOSPOC-CYBMUJFWSA-N 0 0 305.381 3.683 10 0 DHAERN Cc1csc([C@@H]2CN(CCCCc3ccccc3)CCO2)n1 ZINC000186905162 337260179 /nfs/dbraw/zinc/26/01/79/337260179.db2.gz SDRGILMLPVQCOA-KRWDZBQOSA-N 0 0 316.470 3.848 10 0 DHAERN Cc1cc(C)c(NC(=O)[C@@H]2CC[C@H](C)O2)cc1Br ZINC000187592660 337267034 /nfs/dbraw/zinc/26/70/34/337267034.db2.gz QASLHTHAAJGTTP-GWCFXTLKSA-N 0 0 312.207 3.572 10 0 DHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000187902009 337268680 /nfs/dbraw/zinc/26/86/80/337268680.db2.gz JNYSFRHYJREDBP-YDHLFZDLSA-N 0 0 301.386 3.767 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000188347728 337272003 /nfs/dbraw/zinc/27/20/03/337272003.db2.gz FNRCNQNTHUXGEQ-KDOFPFPSSA-N 0 0 320.481 3.788 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000188223963 337272365 /nfs/dbraw/zinc/27/23/65/337272365.db2.gz WPLQWFHJZGMRLC-WMLDXEAASA-N 0 0 306.454 3.534 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000188626075 337274812 /nfs/dbraw/zinc/27/48/12/337274812.db2.gz JKIRUEABBZZNAA-KSSFIOAISA-N 0 0 320.481 3.788 10 0 DHAERN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188683628 337275029 /nfs/dbraw/zinc/27/50/29/337275029.db2.gz FRCQTKLQWPGLNW-INMHGKMJSA-N 0 0 319.445 3.714 10 0 DHAERN C[C@H](NCc1noc(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000189189860 337277281 /nfs/dbraw/zinc/27/72/81/337277281.db2.gz CKZCKDQZPVLJEC-VIFPVBQESA-N 0 0 321.352 3.927 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2Br)O1 ZINC000190093452 337284501 /nfs/dbraw/zinc/28/45/01/337284501.db2.gz HRCYYLVWSKZICJ-XCBNKYQSSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000190099247 337284519 /nfs/dbraw/zinc/28/45/19/337284519.db2.gz JAAATEYANPXJGA-JQWIXIFHSA-N 0 0 304.777 3.642 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000190099199 337284566 /nfs/dbraw/zinc/28/45/66/337284566.db2.gz JAAATEYANPXJGA-ZYHUDNBSSA-N 0 0 304.777 3.642 10 0 DHAERN O=C(NCCc1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000190362524 337287116 /nfs/dbraw/zinc/28/71/16/337287116.db2.gz DXNLYQGAELKLLW-OAHLLOKOSA-N 0 0 320.339 3.647 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2c[nH]nc2C2CC2)o1 ZINC000190493676 337288112 /nfs/dbraw/zinc/28/81/12/337288112.db2.gz DLJQEORAYVIBBX-OAHLLOKOSA-N 0 0 313.401 3.810 10 0 DHAERN CCn1c(C)nnc1CSCc1cc(OC)ccc1Cl ZINC000191000449 337292243 /nfs/dbraw/zinc/29/22/43/337292243.db2.gz STQVSGWGZSHBEL-UHFFFAOYSA-N 0 0 311.838 3.702 10 0 DHAERN CCCC[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1ccc(OC)cc1 ZINC000191239006 337295104 /nfs/dbraw/zinc/29/51/04/337295104.db2.gz WQLVSUYMKWNMKH-JLSDUUJJSA-N 0 0 319.445 3.858 10 0 DHAERN CC[C@@H](NC(=O)c1ccoc1Br)c1ccccc1 ZINC000233906314 337295480 /nfs/dbraw/zinc/29/54/80/337295480.db2.gz HMAQMCFPFWFAOQ-GFCCVEGCSA-N 0 0 308.175 3.923 10 0 DHAERN C[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317409 337295911 /nfs/dbraw/zinc/29/59/11/337295911.db2.gz WTOBZONEUSYHMP-UWVGGRQHSA-N 0 0 310.854 3.741 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1Br ZINC000191724101 337299594 /nfs/dbraw/zinc/29/95/94/337299594.db2.gz VVHIYZKUWJUAGZ-PWSUYJOCSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCSc2ccc(Cl)cc21 ZINC000191868077 337301769 /nfs/dbraw/zinc/30/17/69/337301769.db2.gz DJTUNWYPLWWCCX-PWSUYJOCSA-N 0 0 311.834 3.594 10 0 DHAERN Cc1cnc([C@H](C)Nc2ncc(Br)cc2Cl)o1 ZINC000235525232 337309811 /nfs/dbraw/zinc/30/98/11/337309811.db2.gz OCHXTNSWLLWEKB-ZETCQYMHSA-N 0 0 316.586 3.967 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1cccn1C)c1cccs1 ZINC000193190298 337310024 /nfs/dbraw/zinc/31/00/24/337310024.db2.gz NRMJJVYOZCMMOH-OCCSQVGLSA-N 0 0 303.431 3.694 10 0 DHAERN COCCCOc1cc2c(cc1Cl)C=N[C@H](C1(C)CC1)C2 ZINC000584605628 337371500 /nfs/dbraw/zinc/37/15/00/337371500.db2.gz CGXBAYKJOPYHLH-INIZCTEOSA-N 0 0 307.821 3.899 10 0 DHAERN CCOP(=O)(OCC)[C@](F)(Cl)C(=O)c1ccccc1 ZINC000584610872 337372091 /nfs/dbraw/zinc/37/20/91/337372091.db2.gz SQJFBTPSUODXDD-LBPRGKRZSA-N 0 0 308.673 3.998 10 0 DHAERN CC(C)(C)OC(=O)c1cccc(OCc2ccccc2)c1O ZINC000584597155 337374409 /nfs/dbraw/zinc/37/44/09/337374409.db2.gz HFQVZIWTHNJJMO-UHFFFAOYSA-N 0 0 300.354 3.927 10 0 DHAERN Cc1cc(-c2cn[nH]c(=O)c2O)c(C)c(SC2CC2)c1C ZINC000584630453 337376653 /nfs/dbraw/zinc/37/66/53/337376653.db2.gz BCBYWDWCTQXYQH-UHFFFAOYSA-N 0 0 302.399 3.735 10 0 DHAERN Oc1c(Br)ccc2ccc(-c3ccccn3)nc12 ZINC000584640628 337380011 /nfs/dbraw/zinc/38/00/11/337380011.db2.gz JHSICUNFPPAUOP-UHFFFAOYSA-N 0 0 301.143 3.765 10 0 DHAERN CC(=O)c1ccc(N(C)C(=O)N(C)c2ccc(C(C)=O)cc2)cc1 ZINC000584650944 337380884 /nfs/dbraw/zinc/38/08/84/337380884.db2.gz URBIRFBOWSRIDJ-UHFFFAOYSA-N 0 0 324.380 3.784 10 0 DHAERN CC(C)(C)OC(=O)N1CCCC=C1[S@](=O)c1ccccc1 ZINC000584653312 337381288 /nfs/dbraw/zinc/38/12/88/337381288.db2.gz YZOOIAXDFKBMNU-OAQYLSRUSA-N 0 0 307.415 3.667 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC000105846702 337386811 /nfs/dbraw/zinc/38/68/11/337386811.db2.gz DJFVPMQXAXRVAK-INIZCTEOSA-N 0 0 303.450 3.671 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cccc(F)c1F ZINC000106208914 337387027 /nfs/dbraw/zinc/38/70/27/337387027.db2.gz QZFKCZBXLGBSHF-HNNXBMFYSA-N 0 0 305.372 3.652 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)sc1C ZINC000109673224 337388376 /nfs/dbraw/zinc/38/83/76/337388376.db2.gz FDJPJVZBIXJZDW-AWEZNQCLSA-N 0 0 317.458 3.693 10 0 DHAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116039423 337392132 /nfs/dbraw/zinc/39/21/32/337392132.db2.gz DEHGMGQKTJVGMU-KRWDZBQOSA-N 0 0 308.381 3.976 10 0 DHAERN O=C(COc1ccccc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116040017 337392180 /nfs/dbraw/zinc/39/21/80/337392180.db2.gz LABGCEKPOCRNML-CYBMUJFWSA-N 0 0 305.761 3.676 10 0 DHAERN CCOc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1OC ZINC000116045137 337392250 /nfs/dbraw/zinc/39/22/50/337392250.db2.gz UURLKCJRBYCQIF-AWEZNQCLSA-N 0 0 315.369 3.664 10 0 DHAERN O=C(CCCOc1ccccc1F)N1CCC[C@H]1c1ccco1 ZINC000116047286 337392291 /nfs/dbraw/zinc/39/22/91/337392291.db2.gz LSVBFLUMBVEKRB-HNNXBMFYSA-N 0 0 317.360 3.941 10 0 DHAERN Fc1ccc(-c2noc(CN3CCC[C@H]3c3ccco3)n2)cc1 ZINC000116293298 337392441 /nfs/dbraw/zinc/39/24/41/337392441.db2.gz OHQVZCJAAUTMMF-AWEZNQCLSA-N 0 0 313.332 3.806 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116212755 337392470 /nfs/dbraw/zinc/39/24/70/337392470.db2.gz YLYZWZVSYVONLX-MRXNPFEDSA-N 0 0 311.381 3.915 10 0 DHAERN CSc1cccc(NC(=O)CN2CCC[C@@H]2c2ccco2)c1 ZINC000116288774 337392544 /nfs/dbraw/zinc/39/25/44/337392544.db2.gz MVQOWZAHNPBMLI-OAHLLOKOSA-N 0 0 316.426 3.777 10 0 DHAERN C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116423745 337392721 /nfs/dbraw/zinc/39/27/21/337392721.db2.gz MBMZAKRRUQXMOG-CZUORRHYSA-N 0 0 316.376 3.896 10 0 DHAERN O=C(NCc1cccc(Cl)c1)N1CCC[C@@H]1c1ccco1 ZINC000116412528 337392751 /nfs/dbraw/zinc/39/27/51/337392751.db2.gz PGGVKNSJMKFLNO-CQSZACIVSA-N 0 0 304.777 3.980 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C(C)(C)C3CCCC3)C2)c1 ZINC000119079165 337394319 /nfs/dbraw/zinc/39/43/19/337394319.db2.gz FHPUVQIMRPPTEP-MRXNPFEDSA-N 0 0 303.450 3.571 10 0 DHAERN CC(C)CC1(C(=O)N2CCC(c3cc[nH]n3)CC2)CCCC1 ZINC000119740420 337394991 /nfs/dbraw/zinc/39/49/91/337394991.db2.gz GPHDFULOIBPMCU-UHFFFAOYSA-N 0 0 303.450 3.722 10 0 DHAERN C/C(=C\C(=O)N1CCC(c2nccs2)CC1)c1ccccc1 ZINC000040666027 337398748 /nfs/dbraw/zinc/39/87/48/337398748.db2.gz PXEFITQIOKUPNZ-BUHFOSPRSA-N 0 0 312.438 3.953 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)C(C3CC3)C3CC3)C2)n1 ZINC000123678672 337400443 /nfs/dbraw/zinc/40/04/43/337400443.db2.gz VUMPADKHOSCGBF-CQSZACIVSA-N 0 0 318.486 3.848 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)O1 ZINC000124655913 337406583 /nfs/dbraw/zinc/40/65/83/337406583.db2.gz ZEHUZEJNONVHML-GWCFXTLKSA-N 0 0 301.308 3.688 10 0 DHAERN CN(C(=O)N[C@@H]1CCOc2ccccc21)[C@H]1CCc2ccccc21 ZINC000043165021 337410011 /nfs/dbraw/zinc/41/00/11/337410011.db2.gz XEBAWUFDLLSJEU-MSOLQXFVSA-N 0 0 322.408 3.839 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000130870913 337434847 /nfs/dbraw/zinc/43/48/47/337434847.db2.gz OSLGBSFTJREXGK-ZJUUUORDSA-N 0 0 310.854 3.741 10 0 DHAERN CCc1ccc([C@H](CC)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130945055 337435483 /nfs/dbraw/zinc/43/54/83/337435483.db2.gz NGZBWQIAXBUFGL-YOEHRIQHSA-N 0 0 312.461 3.979 10 0 DHAERN O=C(/C=C/c1ccnc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000131143993 337436453 /nfs/dbraw/zinc/43/64/53/337436453.db2.gz JGPXVLRSKOENFY-GFUIURDCSA-N 0 0 302.761 3.705 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)CCCSC)C2)n1 ZINC000134942905 337450144 /nfs/dbraw/zinc/45/01/44/337450144.db2.gz QPQZDTBGSXXTQR-LBPRGKRZSA-N 0 0 312.504 3.555 10 0 DHAERN O=C(NCc1cc2ccccc2o1)N[C@H]1CCOc2ccccc21 ZINC000061140724 337459581 /nfs/dbraw/zinc/45/95/81/337459581.db2.gz ZYGMDCOWYOQIOC-INIZCTEOSA-N 0 0 322.364 3.756 10 0 DHAERN COc1cc(NC(=O)N[C@@H]2COc3ccccc32)ccc1Cl ZINC000194369982 337462292 /nfs/dbraw/zinc/46/22/92/337462292.db2.gz LNMVMJZBTBGBRJ-CYBMUJFWSA-N 0 0 318.760 3.604 10 0 DHAERN O=C(CCc1ccc(Cl)s1)N[C@H]1COc2ccccc21 ZINC000194887838 337463911 /nfs/dbraw/zinc/46/39/11/337463911.db2.gz XJJTWOLFTSEWMV-LBPRGKRZSA-N 0 0 307.802 3.584 10 0 DHAERN CC(C)n1ccnc1COc1nc(-c2ccccc2Cl)no1 ZINC000195204768 337465829 /nfs/dbraw/zinc/46/58/29/337465829.db2.gz KHGKCNQADDMHBN-UHFFFAOYSA-N 0 0 318.764 3.746 10 0 DHAERN Cc1cc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c(C)n1C1CC1 ZINC000067299136 337543449 /nfs/dbraw/zinc/54/34/49/337543449.db2.gz QEDRLLFYFQMZJE-QGZVFWFLSA-N 0 0 323.440 3.766 10 0 DHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@@H]1c1nccs1 ZINC000074909312 337552800 /nfs/dbraw/zinc/55/28/00/337552800.db2.gz HNWSHMNWRQFGGM-SNVBAGLBSA-N 0 0 312.316 3.538 10 0 DHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)C1 ZINC000247013590 337556902 /nfs/dbraw/zinc/55/69/02/337556902.db2.gz VLYXOIOJQICSGK-BVBHFADKSA-N 0 0 315.457 3.927 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)C2)c1 ZINC000248611502 337566129 /nfs/dbraw/zinc/56/61/29/337566129.db2.gz WIORXANXACNYIQ-DJIMGWMZSA-N 0 0 317.477 3.817 10 0 DHAERN Cc1cnc([C@H](C)CNC(=O)[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000248617016 337566145 /nfs/dbraw/zinc/56/61/45/337566145.db2.gz RVWAEIFCQDIEAM-UGFHNGPFSA-N 0 0 306.475 3.888 10 0 DHAERN C[C@@H]1[C@H](C)Sc2ccccc2N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248789750 337567434 /nfs/dbraw/zinc/56/74/34/337567434.db2.gz NGZKZDWLSFBHKH-RFGFWPKPSA-N 0 0 305.443 3.717 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@H](C)c2ccccc2)o1 ZINC000249557377 337570691 /nfs/dbraw/zinc/57/06/91/337570691.db2.gz MDYUGZDUYDNDIP-QLFBSQMISA-N 0 0 300.402 3.505 10 0 DHAERN Cc1csc([C@@H]2CN([C@H](C)c3cc(F)ccc3F)CCO2)n1 ZINC000249907624 337573794 /nfs/dbraw/zinc/57/37/94/337573794.db2.gz VFJRIPMXJHQUGH-ABAIWWIYSA-N 0 0 324.396 3.864 10 0 DHAERN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C[C@@H](O)C(C)C ZINC000161757528 337596538 /nfs/dbraw/zinc/59/65/38/337596538.db2.gz KJLIWHSCJQWBDV-DLBZAZTESA-N 0 0 321.461 3.696 10 0 DHAERN CCO[C@H](C)c1nc(CN2CCCc3c(N)cccc32)cs1 ZINC000261908055 337612375 /nfs/dbraw/zinc/61/23/75/337612375.db2.gz XLEVNSFQSNXZSH-GFCCVEGCSA-N 0 0 317.458 3.776 10 0 DHAERN CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263054535 337623781 /nfs/dbraw/zinc/62/37/81/337623781.db2.gz LNZAQGDBOCWNQA-CVEARBPZSA-N 0 0 307.409 3.942 10 0 DHAERN COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1N ZINC000036269917 337746998 /nfs/dbraw/zinc/74/69/98/337746998.db2.gz ZPRVMXNRJNFOMV-UHFFFAOYSA-N 0 0 311.168 3.837 10 0 DHAERN CCC[C@](C)(O)C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000119814385 337866244 /nfs/dbraw/zinc/86/62/44/337866244.db2.gz CIVBCNJJJGAUEY-OTYXRUKQSA-N 0 0 304.217 3.722 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CCCCO1)c1c(Cl)ccc(F)c1Cl ZINC000120211460 337871538 /nfs/dbraw/zinc/87/15/38/337871538.db2.gz BURSCWISECWZPO-LDYMZIIASA-N 0 0 320.191 3.879 10 0 DHAERN Clc1ccc([C@@H](NCc2ccsc2)c2ncon2)cc1 ZINC000090202356 337879186 /nfs/dbraw/zinc/87/91/86/337879186.db2.gz GFDUOFFWFCHOTM-CYBMUJFWSA-N 0 0 305.790 3.664 10 0 DHAERN C[C@@H](CCc1ccccc1)SCc1nnc(C2CC2)n1C ZINC000091028960 337888429 /nfs/dbraw/zinc/88/84/29/337888429.db2.gz RVQMHUPXNFAYRU-ZDUSSCGKSA-N 0 0 301.459 3.947 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCc2ccc(F)cc2C1 ZINC000121577883 337895797 /nfs/dbraw/zinc/89/57/97/337895797.db2.gz PCSPWKYJCGKJFY-QZTJIDSGSA-N 0 0 301.405 3.927 10 0 DHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCc2ccc(F)cc2C1 ZINC000121578417 337895802 /nfs/dbraw/zinc/89/58/02/337895802.db2.gz PCSPWKYJCGKJFY-ROUUACIJSA-N 0 0 301.405 3.927 10 0 DHAERN CCc1nn(C)cc1C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000092214939 337901516 /nfs/dbraw/zinc/90/15/16/337901516.db2.gz CLUFAGGYZSXEGM-CYBMUJFWSA-N 0 0 307.397 3.627 10 0 DHAERN CCOc1ccccc1CCC(=O)N[C@H](C)c1cccs1 ZINC000060883519 337923271 /nfs/dbraw/zinc/92/32/71/337923271.db2.gz FJLKCFSWDFYHCF-CYBMUJFWSA-N 0 0 303.427 3.957 10 0 DHAERN Cc1cc(CCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(C)s1 ZINC000084529001 338003134 /nfs/dbraw/zinc/00/31/34/338003134.db2.gz CUTAFIHCBZXARD-DLBZAZTESA-N 0 0 321.486 3.858 10 0 DHAERN COc1ccccc1[C@H](C)NC(=O)c1occc1Br ZINC000433514425 338196150 /nfs/dbraw/zinc/19/61/50/338196150.db2.gz CDOAVPPRWIAUAY-VIFPVBQESA-N 0 0 324.174 3.542 10 0 DHAERN O=C(NCc1ccn(C2CCCC2)n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000156658591 338377107 /nfs/dbraw/zinc/37/71/07/338377107.db2.gz YRSUGKHQWSZHLV-ZWKOTPCHSA-N 0 0 315.461 3.831 10 0 DHAERN O=C(CCCc1c[nH]c2ccccc12)N[C@H]1COc2ccccc21 ZINC000194854454 338767659 /nfs/dbraw/zinc/76/76/59/338767659.db2.gz QYHYSHOHOPILSY-SFHVURJKSA-N 0 0 320.392 3.741 10 0 DHAERN CC(C)(C)[C@@H](O)COc1ccc(Br)cc1Cl ZINC000302832543 340283325 /nfs/dbraw/zinc/28/33/25/340283325.db2.gz JNNPMNWVOIZZBR-NSHDSACASA-N 0 0 307.615 3.888 10 0 DHAERN C[C@@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000302902707 340285769 /nfs/dbraw/zinc/28/57/69/340285769.db2.gz UHVSMTFKZDEUBD-CYBMUJFWSA-N 0 0 318.804 3.779 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc(F)c1Cl ZINC000172959110 340350020 /nfs/dbraw/zinc/35/00/20/340350020.db2.gz JUPLFEDXXHDGEZ-LBPRGKRZSA-N 0 0 321.779 3.814 10 0 DHAERN C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1 ZINC000173067343 340357287 /nfs/dbraw/zinc/35/72/87/340357287.db2.gz QLNDMXBCLWJSHW-OOHWJJMZSA-N 0 0 303.471 3.924 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC000173375838 340363700 /nfs/dbraw/zinc/36/37/00/340363700.db2.gz VKFXRPDHWZFEIK-LBPRGKRZSA-N 0 0 306.475 3.840 10 0 DHAERN CCc1ccc([C@@H](COC)NC(=O)N[C@H](C)c2cccs2)o1 ZINC000173509220 340366410 /nfs/dbraw/zinc/36/64/10/340366410.db2.gz RXIYMWQWQAIEOB-DGCLKSJQSA-N 0 0 322.430 3.651 10 0 DHAERN CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@H](C)COC ZINC000173870990 340376310 /nfs/dbraw/zinc/37/63/10/340376310.db2.gz AXQZPFMRKSUVAJ-ZBFHGGJFSA-N 0 0 307.434 3.571 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCCC3CCCC3)C2)n1 ZINC000173914949 340377668 /nfs/dbraw/zinc/37/76/68/340377668.db2.gz AYBHYDKGZBXKRL-OAHLLOKOSA-N 0 0 321.490 3.921 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H](C)C3)C2)n1 ZINC000174031258 340380596 /nfs/dbraw/zinc/38/05/96/340380596.db2.gz ONJQEUHLMFQVPN-NWANDNLSSA-N 0 0 321.490 3.919 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000174141501 340382872 /nfs/dbraw/zinc/38/28/72/340382872.db2.gz GHIAGDKMNPEYOL-MAUKXSAKSA-N 0 0 316.445 3.566 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCS1 ZINC000174852464 340397590 /nfs/dbraw/zinc/39/75/90/340397590.db2.gz GPGFCFBGZVNHCN-QJPTWQEYSA-N 0 0 324.412 3.645 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)Oc2ccc(F)cc2)o1 ZINC000175335436 340409532 /nfs/dbraw/zinc/40/95/32/340409532.db2.gz JCPUCLJEXRJMPA-STQMWFEESA-N 0 0 320.364 3.555 10 0 DHAERN CCC1CCC(NC(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000175438299 340413226 /nfs/dbraw/zinc/41/32/26/340413226.db2.gz AOFVVZFHPWNOIY-UHFFFAOYSA-N 0 0 306.372 3.939 10 0 DHAERN CC(C)[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000175522910 340414601 /nfs/dbraw/zinc/41/46/01/340414601.db2.gz BBQIELCPYZIMBO-KCXAZCMYSA-N 0 0 309.837 3.763 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2oc(C)cc2C)C12CCCC2 ZINC000176855197 340432974 /nfs/dbraw/zinc/43/29/74/340432974.db2.gz HMSDRLRXBZMPHH-HUUCEWRRSA-N 0 0 305.418 3.706 10 0 DHAERN COc1cccc2c1CC[C@H]2NC(=O)N[C@@H](C)c1cccs1 ZINC000177125250 340436373 /nfs/dbraw/zinc/43/63/73/340436373.db2.gz GKWZPMBIJNHGQV-SMDDNHRTSA-N 0 0 316.426 3.804 10 0 DHAERN CCC[C@@H]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000177120665 340436461 /nfs/dbraw/zinc/43/64/61/340436461.db2.gz NPNNWBQDUYKYNB-ZBFHGGJFSA-N 0 0 302.418 3.732 10 0 DHAERN CN(C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)C1CCCC1 ZINC000177652268 340442424 /nfs/dbraw/zinc/44/24/24/340442424.db2.gz IWFPMGOJUIHLTQ-HNNXBMFYSA-N 0 0 302.418 3.873 10 0 DHAERN CC[C@](C)(CCO)NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000182749026 340485326 /nfs/dbraw/zinc/48/53/26/340485326.db2.gz QJLAESKHVAZSPB-ZIFCJYIRSA-N 0 0 303.446 3.581 10 0 DHAERN CCC[C@H](NC(=O)c1csc(C)c1C)C(=O)OC(C)(C)C ZINC000183632868 340488464 /nfs/dbraw/zinc/48/84/64/340488464.db2.gz JVRBUJBUBTWNDG-ZDUSSCGKSA-N 0 0 311.447 3.605 10 0 DHAERN CCc1nc(CCNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000183704879 340488766 /nfs/dbraw/zinc/48/87/66/340488766.db2.gz XLKACUONFNELMW-STQMWFEESA-N 0 0 308.491 3.827 10 0 DHAERN Cc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1cccs1 ZINC000184795182 340495732 /nfs/dbraw/zinc/49/57/32/340495732.db2.gz PINAGXHTWZQKGN-CYBMUJFWSA-N 0 0 311.410 3.733 10 0 DHAERN COC1(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCCCC1 ZINC000184866518 340496219 /nfs/dbraw/zinc/49/62/19/340496219.db2.gz HVXQFXYJSMAPRW-NWDGAFQWSA-N 0 0 307.356 3.573 10 0 DHAERN COc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000189430683 340535959 /nfs/dbraw/zinc/53/59/59/340535959.db2.gz NYHDFKWVIHDDKY-NEPJUHHUSA-N 0 0 321.298 3.855 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)N2CCSCC[C@@H]2C)cc1 ZINC000190464252 340545402 /nfs/dbraw/zinc/54/54/02/340545402.db2.gz CMSNADGGILYZGN-UONOGXRCSA-N 0 0 306.475 3.847 10 0 DHAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)c(Cl)s2)o1 ZINC000191845733 340559499 /nfs/dbraw/zinc/55/94/99/340559499.db2.gz GMTYBEWELZYNSO-SECBINFHSA-N 0 0 319.835 3.651 10 0 DHAERN CO[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000191910057 340560095 /nfs/dbraw/zinc/56/00/95/340560095.db2.gz UERXJCBHQTXGCX-IVZWLZJFSA-N 0 0 319.232 3.777 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2nccn2-c2ccccc2)cc1 ZINC000192014397 340560930 /nfs/dbraw/zinc/56/09/30/340560930.db2.gz YJHYMSMZKSWLQQ-AWEZNQCLSA-N 0 0 321.380 3.623 10 0 DHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccoc1Cl ZINC000192341952 340566265 /nfs/dbraw/zinc/56/62/65/340566265.db2.gz KNFPSHMSZCYRSO-LLVKDONJSA-N 0 0 317.694 3.836 10 0 DHAERN C[C@@H](NC(=O)NCC1(c2ccc(F)cc2)CC1)c1cccs1 ZINC000193187698 340573758 /nfs/dbraw/zinc/57/37/58/340573758.db2.gz WNRWWAPQEPLQEG-GFCCVEGCSA-N 0 0 318.417 3.979 10 0 DHAERN CSC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000194536181 340593330 /nfs/dbraw/zinc/59/33/30/340593330.db2.gz KESUVHDPNVWWJU-JKSUJKDBSA-N 0 0 303.471 3.925 10 0 DHAERN Cc1cccc(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000026289470 340704811 /nfs/dbraw/zinc/70/48/11/340704811.db2.gz YEVMKVVIKSNUJX-KBPBESRZSA-N 0 0 314.351 3.915 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(Cl)c(F)c1)C2 ZINC000123353327 340748586 /nfs/dbraw/zinc/74/85/86/340748586.db2.gz MBJDEOONKOXPQP-UHFFFAOYSA-N 0 0 321.827 3.894 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCC2(c3ccc(F)cc3)CC2)o1 ZINC000127455094 340851304 /nfs/dbraw/zinc/85/13/04/340851304.db2.gz XPNZDWURTZYGMQ-ZDUSSCGKSA-N 0 0 316.376 3.819 10 0 DHAERN CCc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)s1 ZINC000127571838 340853320 /nfs/dbraw/zinc/85/33/20/340853320.db2.gz NZHLIBGZRQKBKK-LBPRGKRZSA-N 0 0 304.415 3.974 10 0 DHAERN C[C@@H]1CC[C@H](c2nc(-c3cccc(Br)c3)no2)O1 ZINC000129119846 340946434 /nfs/dbraw/zinc/94/64/34/340946434.db2.gz BHVCYOSXEBBUOA-LDYMZIIASA-N 0 0 309.163 3.739 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000130410263 341021055 /nfs/dbraw/zinc/02/10/55/341021055.db2.gz WNXDDRFDVQJOIV-TXEJJXNPSA-N 0 0 319.788 3.849 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCCc2cscn2)c2ccccc21 ZINC000131531959 341094436 /nfs/dbraw/zinc/09/44/36/341094436.db2.gz KFWMJXFLDQQXBO-MLGOLLRUSA-N 0 0 315.442 3.623 10 0 DHAERN CCOCCC1(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000132539050 341126671 /nfs/dbraw/zinc/12/66/71/341126671.db2.gz BFZPTYDPVMLXOC-IRXDYDNUSA-N 0 0 307.478 3.916 10 0 DHAERN C[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000074496698 341146969 /nfs/dbraw/zinc/14/69/69/341146969.db2.gz HHPMBKUXBBSOSD-ZDUSSCGKSA-N 0 0 324.424 3.574 10 0 DHAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000074547105 341148123 /nfs/dbraw/zinc/14/81/23/341148123.db2.gz LJTSWOFGWGBAKY-IRXDYDNUSA-N 0 0 322.493 3.500 10 0 DHAERN Cc1cncc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000132986617 341151156 /nfs/dbraw/zinc/15/11/56/341151156.db2.gz ZAHPEQUVGQUKED-SNVBAGLBSA-N 0 0 309.822 3.665 10 0 DHAERN O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000133845549 341193370 /nfs/dbraw/zinc/19/33/70/341193370.db2.gz JNBWGLZRMVDMIG-DTWKUNHWSA-N 0 0 319.352 3.712 10 0 DHAERN COCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000134214542 341209601 /nfs/dbraw/zinc/20/96/01/341209601.db2.gz OHILYNSLSDEDPS-QZTJIDSGSA-N 0 0 301.430 3.666 10 0 DHAERN O=C(NC[C@H]1CCCC[C@H]1O)c1sccc1-c1ccccc1 ZINC000077205249 341220543 /nfs/dbraw/zinc/22/05/43/341220543.db2.gz DYSDJVKGTXWLCG-GDBMZVCRSA-N 0 0 315.438 3.696 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000079540909 341261032 /nfs/dbraw/zinc/26/10/32/341261032.db2.gz AGBUQFODBWXVHY-QPUJVOFHSA-N 0 0 316.626 3.560 10 0 DHAERN CC(C)[C@H](C(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000079614664 341262015 /nfs/dbraw/zinc/26/20/15/341262015.db2.gz UKWLDOPIJURLLI-KSZLIROESA-N 0 0 301.430 3.596 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1 ZINC000137037806 341271077 /nfs/dbraw/zinc/27/10/77/341271077.db2.gz YZSLJLHEBAKALT-ZIAGYGMSSA-N 0 0 313.397 3.724 10 0 DHAERN C[C@H](CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000081451180 341291264 /nfs/dbraw/zinc/29/12/64/341291264.db2.gz PJKCXDSWZRUBBV-OLZOCXBDSA-N 0 0 323.408 3.508 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cc(-c2cccs2)on1 ZINC000081568950 341297029 /nfs/dbraw/zinc/29/70/29/341297029.db2.gz PULKULBAXXPFQE-LLVKDONJSA-N 0 0 322.430 3.565 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000245501769 341297866 /nfs/dbraw/zinc/29/78/66/341297866.db2.gz DMQLWUQIHXWLRT-QKPAOTATSA-N 0 0 320.433 3.781 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000245536232 341300289 /nfs/dbraw/zinc/30/02/89/341300289.db2.gz ZGTZOZSUAWFSKI-BQFCYCMXSA-N 0 0 316.445 3.524 10 0 DHAERN Fc1cc(CN2CCO[C@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542544 341300978 /nfs/dbraw/zinc/30/09/78/341300978.db2.gz PZESPBWGPVAOQI-HIFRSBDPSA-N 0 0 315.335 3.571 10 0 DHAERN Cc1cc(F)ccc1CN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685872 341309334 /nfs/dbraw/zinc/30/93/34/341309334.db2.gz AGXMQKCMBSBDPR-QAPCUYQASA-N 0 0 321.342 3.720 10 0 DHAERN CC[C@@H](C)[C@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)CC ZINC000245690778 341309894 /nfs/dbraw/zinc/30/98/94/341309894.db2.gz ORLHHVSGRIABNG-DBWAAGBOSA-N 0 0 324.509 3.504 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000245845768 341315928 /nfs/dbraw/zinc/31/59/28/341315928.db2.gz IIQDSJXMRRNXBE-OTWHNJEPSA-N 0 0 313.441 3.551 10 0 DHAERN CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000245851191 341316232 /nfs/dbraw/zinc/31/62/32/341316232.db2.gz LWHCIVGIQCAITE-PVAVHDDUSA-N 0 0 318.465 3.626 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](C)O1 ZINC000246086712 341324464 /nfs/dbraw/zinc/32/44/64/341324464.db2.gz UPKAOHUNSLUHRJ-XOYOTBSWSA-N 0 0 301.430 3.739 10 0 DHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246093518 341325098 /nfs/dbraw/zinc/32/50/98/341325098.db2.gz VMWXJKAXARKHNA-RULNRJAQSA-N 0 0 316.228 3.608 10 0 DHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000246093489 341325106 /nfs/dbraw/zinc/32/51/06/341325106.db2.gz VMWXJKAXARKHNA-BFVZDQMLSA-N 0 0 316.228 3.608 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000246226718 341335414 /nfs/dbraw/zinc/33/54/14/341335414.db2.gz WLZOYCQHIHNWBZ-JENIJYKNSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H]2CCCOC2)cc1 ZINC000247083403 341360812 /nfs/dbraw/zinc/36/08/12/341360812.db2.gz TYUYNKHCFPPAMS-MNEFBYGVSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@H](NC(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1cccs1 ZINC000247475871 341365511 /nfs/dbraw/zinc/36/55/11/341365511.db2.gz IFQVZJCHRMOORM-QEJZJMRPSA-N 0 0 300.427 3.912 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC000249053504 341392761 /nfs/dbraw/zinc/39/27/61/341392761.db2.gz ONQLBHOGGQMCNC-IJLUTSLNSA-N 0 0 324.412 3.645 10 0 DHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000249283249 341395988 /nfs/dbraw/zinc/39/59/88/341395988.db2.gz HKTYHSJSPHZNAW-BBWFWOEESA-N 0 0 301.430 3.657 10 0 DHAERN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H]1C ZINC000249298700 341396213 /nfs/dbraw/zinc/39/62/13/341396213.db2.gz FGOUOXLAWQWOJW-XQHKEYJVSA-N 0 0 306.372 3.795 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000250572776 341405375 /nfs/dbraw/zinc/40/53/75/341405375.db2.gz YEGSADVYLGGPNA-HRCADAONSA-N 0 0 313.784 3.693 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000089975945 341411588 /nfs/dbraw/zinc/41/15/88/341411588.db2.gz IIQDSJXMRRNXBE-IPMKNSEASA-N 0 0 313.441 3.551 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCO[C@H]2C)o1 ZINC000253351408 341454191 /nfs/dbraw/zinc/45/41/91/341454191.db2.gz JSVBUQQNXCBZMN-WTTBNOFXSA-N 0 0 319.445 3.957 10 0 DHAERN CCc1nc(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)cs1 ZINC000163037289 341456203 /nfs/dbraw/zinc/45/62/03/341456203.db2.gz GBCRGCMKNFTVJN-GJZGRUSLSA-N 0 0 306.475 3.581 10 0 DHAERN CC(C)c1ccc([C@@H](NCc2nnnn2C(C)C)C(C)C)cc1 ZINC000154351036 341588348 /nfs/dbraw/zinc/58/83/48/341588348.db2.gz VUCHVHLVZYGZBS-SFHVURJKSA-N 0 0 315.465 3.864 10 0 DHAERN Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)n(-c2ccccn2)n1 ZINC000154931519 341598456 /nfs/dbraw/zinc/59/84/56/341598456.db2.gz XMXVPFPYUAGUBH-CVEARBPZSA-N 0 0 324.428 3.731 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@@H]1C[C@@H]1C ZINC000157411834 341637783 /nfs/dbraw/zinc/63/77/83/341637783.db2.gz KTWPOVWBVODZRR-GRDNDAEWSA-N 0 0 301.434 3.904 10 0 DHAERN CCC[C@H](N[C@H]1CCCc2nc(C)sc21)C(=O)OC(C)(C)C ZINC000157488728 341639100 /nfs/dbraw/zinc/63/91/00/341639100.db2.gz CNNRXXNLHIKRBC-KBPBESRZSA-N 0 0 324.490 3.929 10 0 DHAERN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@H](C)O2)c1C ZINC000158023716 341650049 /nfs/dbraw/zinc/65/00/49/341650049.db2.gz OEWRIMULCSSHEF-JCGIZDLHSA-N 0 0 301.430 3.925 10 0 DHAERN C[C@@H]1CN(C(=O)NCCc2csc3ccccc23)CCS1 ZINC000171427372 341777785 /nfs/dbraw/zinc/77/77/85/341777785.db2.gz NDVKDLJSVPLAQI-GFCCVEGCSA-N 0 0 320.483 3.591 10 0 DHAERN CC(C)(C)n1cc(CN2CCCC[C@@H]2c2nccs2)cn1 ZINC000127738024 519154369 /nfs/dbraw/zinc/15/43/69/519154369.db2.gz HERGYGOWJIQHDO-CQSZACIVSA-N 0 0 304.463 3.822 10 0 DHAERN CC(=O)CCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000184816693 519397357 /nfs/dbraw/zinc/39/73/57/519397357.db2.gz GRKZSJIQWKIJPA-AWEZNQCLSA-N 0 0 322.474 3.732 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)N[C@H](C)c2cccs2)c1 ZINC000174959243 519455971 /nfs/dbraw/zinc/45/59/71/519455971.db2.gz UTXYFZLTQDMOFA-LLVKDONJSA-N 0 0 317.414 3.614 10 0 DHAERN CC(C)OCCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000182585328 519757388 /nfs/dbraw/zinc/75/73/88/519757388.db2.gz SZRWTTMONOUOOT-QGZVFWFLSA-N 0 0 319.445 3.570 10 0 DHAERN CC(C)OCCCC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182387374 519758170 /nfs/dbraw/zinc/75/81/70/519758170.db2.gz IFAFZFPWGPEKDQ-NSHDSACASA-N 0 0 301.789 3.862 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000190810388 519792111 /nfs/dbraw/zinc/79/21/11/519792111.db2.gz LYUNTMIHNNFVKJ-SSDOTTSWSA-N 0 0 321.165 3.893 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000107820688 519812832 /nfs/dbraw/zinc/81/28/32/519812832.db2.gz OXLLOVGLAOJOQT-GXTWGEPZSA-N 0 0 324.396 3.550 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189256953 519839597 /nfs/dbraw/zinc/83/95/97/519839597.db2.gz KYARCIVSYFTQCC-YDZRNGNQSA-N 0 0 315.457 3.581 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)no1 ZINC000173450520 519868326 /nfs/dbraw/zinc/86/83/26/519868326.db2.gz DTGOGFJKWQQLRH-OAHLLOKOSA-N 0 0 324.384 3.652 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)c1nc3ccccc3o1)C2 ZINC000181103178 519868760 /nfs/dbraw/zinc/86/87/60/519868760.db2.gz VHAGFQSDXFKSOL-ZDUSSCGKSA-N 0 0 324.428 3.804 10 0 DHAERN CCN(C(=O)N[C@H](C)c1ccc(C)o1)[C@H](C)c1cccnc1 ZINC000115659295 519985881 /nfs/dbraw/zinc/98/58/81/519985881.db2.gz ZGBRAAJPLMVBOV-ZIAGYGMSSA-N 0 0 301.390 3.837 10 0 DHAERN CCN(CC(C)(C)O)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000162476615 520402163 /nfs/dbraw/zinc/40/21/63/520402163.db2.gz JDZNHMQWFKAXTM-AWEZNQCLSA-N 0 0 314.429 3.703 10 0 DHAERN CCOc1ccc(CNC(=O)N[C@H](C)c2cccs2)cc1F ZINC000171553075 520991293 /nfs/dbraw/zinc/99/12/93/520991293.db2.gz FHGXBYVXBXOTHX-LLVKDONJSA-N 0 0 322.405 3.846 10 0 DHAERN CCC(=CC(=O)NC1(c2noc(C3CC3)n2)CCCC1)CC ZINC000133328186 521062279 /nfs/dbraw/zinc/06/22/79/521062279.db2.gz QIUWUDFFUQCFLA-UHFFFAOYSA-N 0 0 303.406 3.579 10 0 DHAERN CCCc1ncc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000173027985 521550690 /nfs/dbraw/zinc/55/06/90/521550690.db2.gz RQOOKWWDAMJFJF-NXEZZACHSA-N 0 0 320.380 3.947 10 0 DHAERN CCc1cnc([C@H](C)Nc2noc(-c3ccccc3)n2)s1 ZINC000157885055 522058613 /nfs/dbraw/zinc/05/86/13/522058613.db2.gz UUHQFUAJJRFYMW-JTQLQIEISA-N 0 0 300.387 3.929 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000103383320 522168382 /nfs/dbraw/zinc/16/83/82/522168382.db2.gz MUCUHHIDLLDJKK-SNVBAGLBSA-N 0 0 316.228 3.767 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000104416305 522168422 /nfs/dbraw/zinc/16/84/22/522168422.db2.gz FQMOUJTZWVNUDJ-GFCCVEGCSA-N 0 0 311.372 3.519 10 0 DHAERN COC[C@H](C)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000107196668 522551181 /nfs/dbraw/zinc/55/11/81/522551181.db2.gz QFAAERMRJOWWPH-AWEZNQCLSA-N 0 0 315.438 3.737 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000163071790 522594140 /nfs/dbraw/zinc/59/41/40/522594140.db2.gz LOGMLBTWFOPGPJ-OAHLLOKOSA-N 0 0 316.474 3.617 10 0 DHAERN CC[C@@H](NCc1nnc(C(C)C)n1C)c1cccc(Cl)c1 ZINC000182600769 522897349 /nfs/dbraw/zinc/89/73/49/522897349.db2.gz XFJNTASTYKJRHK-CQSZACIVSA-N 0 0 306.841 3.833 10 0 DHAERN CCc1sc([C@@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1C ZINC000157788143 523080048 /nfs/dbraw/zinc/08/00/48/523080048.db2.gz UTJKXOVLLRRAIW-SECBINFHSA-N 0 0 323.849 3.939 10 0 DHAERN COCCCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129529877 523102049 /nfs/dbraw/zinc/10/20/49/523102049.db2.gz BWDOUVUHUCPOEV-INIZCTEOSA-N 0 0 317.429 3.756 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000180282495 523154197 /nfs/dbraw/zinc/15/41/97/523154197.db2.gz YBHHFBKRZUHYPX-GOSISDBHSA-N 0 0 316.424 3.767 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccccc1C)C(C)(C)C ZINC000180084262 523155869 /nfs/dbraw/zinc/15/58/69/523155869.db2.gz MHUKXNOZTXGXPW-QGZVFWFLSA-N 0 0 300.450 3.792 10 0 DHAERN CCn1c(C)nnc1CSCc1ccc(OC)c(Cl)c1 ZINC000179842908 523156797 /nfs/dbraw/zinc/15/67/97/523156797.db2.gz JFAUYRZTBPZSQX-UHFFFAOYSA-N 0 0 311.838 3.702 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608204 523488248 /nfs/dbraw/zinc/48/82/48/523488248.db2.gz BVKMVYQCIKBPIF-OLZOCXBDSA-N 0 0 317.433 3.925 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC2CCOCC2)o1 ZINC000128455591 524034923 /nfs/dbraw/zinc/03/49/23/524034923.db2.gz LZVFURRBQKBBJO-INIZCTEOSA-N 0 0 305.418 3.712 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2snnc2CC)o1 ZINC000128524190 524053651 /nfs/dbraw/zinc/05/36/51/524053651.db2.gz JGLHQMUZMBFCSD-CYBMUJFWSA-N 0 0 319.430 3.623 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cnc(Cl)cn2)o1 ZINC000192788683 524053959 /nfs/dbraw/zinc/05/39/59/524053959.db2.gz CXJMSNPABYUMBH-CYBMUJFWSA-N 0 0 319.792 3.653 10 0 DHAERN Cc1ccc2ncnc(N3CCC[C@H]3c3noc(C(C)C)n3)c2c1 ZINC000181009520 524085043 /nfs/dbraw/zinc/08/50/43/524085043.db2.gz ZMSATWHHVBKKJG-HNNXBMFYSA-N 0 0 323.400 3.786 10 0 DHAERN C[C@H](CCN1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000191073199 524179213 /nfs/dbraw/zinc/17/92/13/524179213.db2.gz WZXZTPBMGDOZSN-ZBFHGGJFSA-N 0 0 302.443 3.710 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 ZINC000156054236 524420350 /nfs/dbraw/zinc/42/03/50/524420350.db2.gz PAVPEGSCFWBDDO-SJCJKPOMSA-N 0 0 323.396 3.546 10 0 DHAERN COc1ccccc1CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000127860349 524452789 /nfs/dbraw/zinc/45/27/89/524452789.db2.gz VIYRDUQZGGIXHC-AWEZNQCLSA-N 0 0 301.390 3.539 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)NCCc2cccnc2)c2ccccc21 ZINC000151545134 524694921 /nfs/dbraw/zinc/69/49/21/524694921.db2.gz YGLQHSMLKNWWCM-KDOFPFPSSA-N 0 0 309.413 3.562 10 0 DHAERN Cc1cccc(OCCSCc2nnc(C(C)C)n2C)c1 ZINC000182345484 524751497 /nfs/dbraw/zinc/75/14/97/524751497.db2.gz SWFGCOQMJVRVED-UHFFFAOYSA-N 0 0 305.447 3.559 10 0 DHAERN COc1ccccc1[C@H](NC(=O)N[C@@H](C)C(C)C)c1ccco1 ZINC000131129583 524796168 /nfs/dbraw/zinc/79/61/68/524796168.db2.gz SSHFEGUDECJFOM-GUYCJALGSA-N 0 0 316.401 3.721 10 0 DHAERN C[C@H](NC(=O)/C=C/c1ccncn1)c1ccc(C(C)(C)C)cc1 ZINC000182567108 524874861 /nfs/dbraw/zinc/87/48/61/524874861.db2.gz YKHXECNQVXCXCB-HBWSCVEGSA-N 0 0 309.413 3.665 10 0 DHAERN Cc1cccc2c(O)c(C(=O)N3CCC[C@@H]3c3ccco3)cnc12 ZINC000163701154 524939853 /nfs/dbraw/zinc/93/98/53/524939853.db2.gz RDQOOSTYTIWWGW-OAHLLOKOSA-N 0 0 322.364 3.819 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)nc2C)cc1 ZINC000192463747 525119654 /nfs/dbraw/zinc/11/96/54/525119654.db2.gz ITWRRQBRXULRSM-SNVBAGLBSA-N 0 0 304.777 3.794 10 0 DHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cnc1Cl ZINC000186497863 525175160 /nfs/dbraw/zinc/17/51/60/525175160.db2.gz LWBLSQNWEOLWDP-CYBMUJFWSA-N 0 0 319.796 3.526 10 0 DHAERN C[C@H](NC(=O)c1cc[nH]c1)c1c(Cl)ccc(F)c1Cl ZINC000109258700 525203358 /nfs/dbraw/zinc/20/33/58/525203358.db2.gz HCRWAKMTICQARS-ZETCQYMHSA-N 0 0 301.148 3.952 10 0 DHAERN Cc1ccccc1N[C@H](C)CC(=O)Nc1cccnc1Cl ZINC000182533967 525274465 /nfs/dbraw/zinc/27/44/65/525274465.db2.gz ZZZZMQFGSIWMJV-GFCCVEGCSA-N 0 0 303.793 3.873 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CCCc2c(O)cccc21)c1cccs1 ZINC000190014136 525294092 /nfs/dbraw/zinc/29/40/92/525294092.db2.gz SGEJEMQTQKIDJQ-RISCZKNCSA-N 0 0 301.411 3.751 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000190097323 525556896 /nfs/dbraw/zinc/55/68/96/525556896.db2.gz HCIIBUIZZJUOMT-WPRPVWTQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000191143015 525557104 /nfs/dbraw/zinc/55/71/04/525557104.db2.gz NGYAHWNRPIWTNS-FZMZJTMJSA-N 0 0 323.483 3.919 10 0 DHAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(Cl)cc1Cl ZINC000176687878 525564036 /nfs/dbraw/zinc/56/40/36/525564036.db2.gz DHYYYVFYKFLBMA-TVQRCGJNSA-N 0 0 311.216 3.771 10 0 DHAERN C[C@@H](N[C@@H](C)c1nc(C2CC2)no1)c1cccc(-n2ccnc2)c1 ZINC000180661876 525621717 /nfs/dbraw/zinc/62/17/17/525621717.db2.gz NHVKPGQVJIFFAT-OLZOCXBDSA-N 0 0 323.400 3.545 10 0 DHAERN Cc1cc2cc(NC(=O)[C@@H](Cc3ccccc3)N(C)C)ccc2[nH]1 ZINC000106905419 525645631 /nfs/dbraw/zinc/64/56/31/525645631.db2.gz FTKJEIXTPFAZMQ-LJQANCHMSA-N 0 0 321.424 3.588 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCC2(c3cccc(F)c3)CC2)o1 ZINC000153747153 525705245 /nfs/dbraw/zinc/70/52/45/525705245.db2.gz RYWSMSZNWCRJPF-CYBMUJFWSA-N 0 0 316.376 3.819 10 0 DHAERN Cc1ccc([C@@H](C)NCC(=O)Nc2c(C)cccc2Cl)o1 ZINC000182588792 525722551 /nfs/dbraw/zinc/72/25/51/525722551.db2.gz INPQIRYJQKBYHS-GFCCVEGCSA-N 0 0 306.793 3.839 10 0 DHAERN Cc1c(NC(=O)[C@H]2CCCO[C@H]2C)cccc1C(F)(F)F ZINC000189372806 525857925 /nfs/dbraw/zinc/85/79/25/525857925.db2.gz MJZKLSCVPHSDRZ-QWRGUYRKSA-N 0 0 301.308 3.767 10 0 DHAERN CSc1ccc(CN2CCO[C@H](c3nc(C)cs3)C2)cc1 ZINC000157070849 525994143 /nfs/dbraw/zinc/99/41/43/525994143.db2.gz XLBGRIOTGUOJJB-HNNXBMFYSA-N 0 0 320.483 3.747 10 0 DHAERN Cc1cnc([C@H](C)CNC(=O)N[C@@H](C)c2cccs2)s1 ZINC000182890103 526141479 /nfs/dbraw/zinc/14/14/79/526141479.db2.gz MBDAIXDHBJNHIN-KOLCDFICSA-N 0 0 309.460 3.677 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)CC/C=C/c3ccccc3)C2)c1 ZINC000159197581 526267108 /nfs/dbraw/zinc/26/71/08/526267108.db2.gz AYKRGYBBEFRXDQ-GSXXRBPTSA-N 0 0 323.440 3.849 10 0 DHAERN Cc1cnn([C@H]2CCCN([C@@H](C)c3c(F)cccc3F)C2)c1 ZINC000106225751 526268503 /nfs/dbraw/zinc/26/85/03/526268503.db2.gz YZRFZIMDSONBAJ-KBPBESRZSA-N 0 0 305.372 3.868 10 0 DHAERN O=C(NCCC[C@@H]1CCCCO1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000183443714 526269100 /nfs/dbraw/zinc/26/91/00/526269100.db2.gz VVTRJACPPULJSD-SOUVJXGZSA-N 0 0 323.383 3.534 10 0 DHAERN Fc1cc(F)c2nccc(N3CCC[C@@H](n4cccn4)C3)c2c1 ZINC000159201371 526305334 /nfs/dbraw/zinc/30/53/34/526305334.db2.gz LZVJIUTYOMIFGO-CYBMUJFWSA-N 0 0 314.339 3.551 10 0 DHAERN Fc1cc(F)cc(CNC2(c3noc(C4CC4)n3)CCCC2)c1 ZINC000161582866 526307826 /nfs/dbraw/zinc/30/78/26/526307826.db2.gz ONYZSMGJUPKFCY-UHFFFAOYSA-N 0 0 319.355 3.784 10 0 DHAERN Cc1csc(CNC(=O)N2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000173480277 526349325 /nfs/dbraw/zinc/34/93/25/526349325.db2.gz UUWDZSZOEGQHGC-CYBMUJFWSA-N 0 0 319.430 3.790 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182360317 526507947 /nfs/dbraw/zinc/50/79/47/526507947.db2.gz VCDVXGOKDWSEPB-RKDXNWHRSA-N 0 0 323.799 3.800 10 0 DHAERN c1cnn([C@H]2CCCC[C@H]2Nc2noc(-c3ccccc3)n2)c1 ZINC000157818369 526558259 /nfs/dbraw/zinc/55/82/59/526558259.db2.gz UVURJFMMWHQZPK-CABCVRRESA-N 0 0 309.373 3.529 10 0 DHAERN Cc1noc(C2CC2)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000154074627 526581515 /nfs/dbraw/zinc/58/15/15/526581515.db2.gz WDKFWCYWAMYGNT-VXGBXAGGSA-N 0 0 318.323 3.881 10 0 DHAERN O=C(CCc1ccccc1O)N1CCCC[C@H]1c1nccs1 ZINC000115365673 526613659 /nfs/dbraw/zinc/61/36/59/526613659.db2.gz HFVFBVHWUACWMS-AWEZNQCLSA-N 0 0 316.426 3.535 10 0 DHAERN O=C(NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000156680542 526627406 /nfs/dbraw/zinc/62/74/06/526627406.db2.gz LCFXFRATHNMPDX-BXUZGUMPSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccon1 ZINC000156692004 526627707 /nfs/dbraw/zinc/62/77/07/526627707.db2.gz HOULSNUBRJYPQW-LDYMZIIASA-N 0 0 311.168 3.515 10 0 DHAERN O=C(c1ccc(Cl)c(Br)c1)N1C[C@@H]2CCC[C@H]21 ZINC000337981171 526671866 /nfs/dbraw/zinc/67/18/66/526671866.db2.gz SYQSDGHFCPZQLH-JOYOIKCWSA-N 0 0 314.610 3.727 10 0 DHAERN Clc1ccc(CCCN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000157753350 526941404 /nfs/dbraw/zinc/94/14/04/526941404.db2.gz UVZXOUVZWOUFEA-OAHLLOKOSA-N 0 0 322.861 3.803 10 0 DHAERN Clc1ccccc1CCCN1CCO[C@@H](c2nccs2)C1 ZINC000181866198 526987856 /nfs/dbraw/zinc/98/78/56/526987856.db2.gz JTDDCXVMDJUHCZ-OAHLLOKOSA-N 0 0 322.861 3.803 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000127340421 527017416 /nfs/dbraw/zinc/01/74/16/527017416.db2.gz MFPOKICVQKFIPQ-RDJZCZTQSA-N 0 0 315.413 3.508 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187671 527188329 /nfs/dbraw/zinc/18/83/29/527188329.db2.gz DNFGYPYSEYULFS-HOTGVXAUSA-N 0 0 316.836 3.816 10 0 DHAERN O=C(Nc1cccc(Cl)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000115171358 527341017 /nfs/dbraw/zinc/34/10/17/527341017.db2.gz ICXRIJARRGGPIZ-CQSZACIVSA-N 0 0 304.781 3.822 10 0 DHAERN O=C(Nc1cccc(Cl)c1F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180611046 527346094 /nfs/dbraw/zinc/34/60/94/527346094.db2.gz YQSSWGRQQZCFCQ-ZDUSSCGKSA-N 0 0 322.771 3.961 10 0 DHAERN Clc1ccc(CNCc2sncc2Br)cc1 ZINC000669379946 563870113 /nfs/dbraw/zinc/87/01/13/563870113.db2.gz NFDDLYPCKVWPRA-UHFFFAOYSA-N 0 0 317.639 3.849 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC(=O)O2 ZINC000004777674 560200008 /nfs/dbraw/zinc/20/00/08/560200008.db2.gz SZKJPNYYJWKGMH-BECBKZTQSA-N 0 0 306.446 3.686 10 0 in-vitro DHAERN Cc1ccc2[nH]c(C3=NN[C@@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000005400305 563329467 /nfs/dbraw/zinc/32/94/67/563329467.db2.gz ZDAJCZOULWPQHR-CQSZACIVSA-N 0 0 310.788 3.963 10 0 DHAERN C/C(=N\[S@@](=O)C(C)(C)C)c1cc(Br)cs1 ZINC000145707161 563329483 /nfs/dbraw/zinc/32/94/83/563329483.db2.gz WTQPLQZJNABROQ-CUXKMMBLSA-N 0 0 308.266 3.782 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4[C@H](O)C(=O)CC[C@@]43C)[C@@H]1CCCC2=O ZINC000035565069 563453540 /nfs/dbraw/zinc/45/35/40/563453540.db2.gz PSDYUQOKDCQVKL-IKODPUMUSA-N 0 0 318.457 3.528 10 0 DHAERN CCN(Cc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1 ZINC000085221191 563520523 /nfs/dbraw/zinc/52/05/23/563520523.db2.gz XIMXDCTXUVFMAW-UHFFFAOYSA-N 0 0 313.353 3.574 10 0 DHAERN Cc1ccc(F)c(-c2nc(C3CC3)nn2CC(F)(F)F)c1F ZINC000096165896 563534560 /nfs/dbraw/zinc/53/45/60/563534560.db2.gz UKRKWWZAHZJKSK-UHFFFAOYSA-N 0 0 317.261 3.971 10 0 DHAERN CC(C)(C)OC(=O)c1cnn(-c2csc(C(C)(C)C)n2)c1 ZINC000725253488 563541212 /nfs/dbraw/zinc/54/12/12/563541212.db2.gz MPJPNHHEMCCTAQ-UHFFFAOYSA-N 0 0 307.419 3.582 10 0 DHAERN Oc1cc2ccc(Br)cc2nc1[C@H]1CCCOC1 ZINC000725267712 563573884 /nfs/dbraw/zinc/57/38/84/563573884.db2.gz SZWPQDCOKLFMSI-JTQLQIEISA-N 0 0 308.175 3.597 10 0 DHAERN CC(C)C(=O)N1CCCC[C@@H]1c1nnc(-c2ccccc2F)o1 ZINC000328612348 563619438 /nfs/dbraw/zinc/61/94/38/563619438.db2.gz OLRUZSKUZSDLGG-CQSZACIVSA-N 0 0 317.364 3.585 10 0 DHAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)C1CCCCC1 ZINC000224281631 563882717 /nfs/dbraw/zinc/88/27/17/563882717.db2.gz SHBHLWZWSNWDLK-UHFFFAOYSA-N 0 0 315.348 3.927 10 0 DHAERN COc1cccc(CSc2nncn3c4ccoc4cc23)c1 ZINC000006893958 563898848 /nfs/dbraw/zinc/89/88/48/563898848.db2.gz ZGWZRJYPDXZMFG-UHFFFAOYSA-N 0 0 311.366 3.776 10 0 DHAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1F ZINC000226261208 563913197 /nfs/dbraw/zinc/91/31/97/563913197.db2.gz FJMSTJLYFNTBIQ-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2ccc(F)cc2)c1 ZINC000226255017 563913457 /nfs/dbraw/zinc/91/34/57/563913457.db2.gz ZEJZVKOJXSQSLZ-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN C[C@@H](O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000226273006 563913622 /nfs/dbraw/zinc/91/36/22/563913622.db2.gz CPVSGSPXQZFWSB-SNVBAGLBSA-N 0 0 320.186 3.755 10 0 DHAERN C[C@@H](O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000226273073 563913642 /nfs/dbraw/zinc/91/36/42/563913642.db2.gz KGTFUYKPCYKJFI-SNVBAGLBSA-N 0 0 320.186 3.755 10 0 DHAERN CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545510 563924058 /nfs/dbraw/zinc/92/40/58/563924058.db2.gz FUWXSSFLWHLRGV-KRWDZBQOSA-N 0 0 310.372 3.953 10 0 DHAERN FC(F)(F)c1nc(-c2cccnc2)sc1Br ZINC000616579225 563961617 /nfs/dbraw/zinc/96/16/17/563961617.db2.gz RJJUXZGAPSUMPR-UHFFFAOYSA-N 0 0 309.110 3.986 10 0 DHAERN CCc1nc(Cc2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cs1 ZINC000190362501 568417199 /nfs/dbraw/zinc/41/71/99/568417199.db2.gz ZPKVRFMWRICBDS-FZMZJTMJSA-N 0 0 321.446 3.598 10 0 DHAERN Cc1cc(NC(=O)Cc2ccccc2)cc(Br)c1O ZINC000226242975 568420662 /nfs/dbraw/zinc/42/06/62/568420662.db2.gz VTBCHHPJQQCYKD-UHFFFAOYSA-N 0 0 320.186 3.644 10 0 DHAERN O=C([O-])[C@@H]1CCC[N@@H+]1CC(Cc1ccccc1)Cc1ccccc1 ZINC000263400894 962563822 /nfs/dbraw/zinc/56/38/22/962563822.db2.gz HZLAVLNLUQVVQG-FQEVSTJZSA-N 0 0 323.436 3.637 10 0 DHAERN CC1(C)[C@H](Nc2ccc(OC(F)F)c(F)c2)[C@H]2CCO[C@@H]21 ZINC000085635705 1014095448 /nfs/dbraw/zinc/09/54/48/1014095448.db2.gz UYNDSKVHXPFLCZ-WQAKAFBOSA-N 0 0 301.308 3.653 10 0 DHAERN Cc1coc(-c2cccc(NC(=O)C[C@H](O)c3ccccc3)c2)n1 ZINC000089311430 1032334943 /nfs/dbraw/zinc/33/49/43/1032334943.db2.gz ATIOKIUUQCNSBL-KRWDZBQOSA-N 0 0 322.364 3.712 10 0 DHAERN COc1cccc(C(=O)N2CC=C(c3cccs3)CC2)c1F ZINC000090595739 1032410259 /nfs/dbraw/zinc/41/02/59/1032410259.db2.gz OBPZKOISCQNPKO-UHFFFAOYSA-N 0 0 317.385 3.825 10 0 DHAERN Cc1ccc([C@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864730 1032562324 /nfs/dbraw/zinc/56/23/24/1032562324.db2.gz JACJFORUTUDWFC-GOSISDBHSA-N 0 0 323.396 3.552 10 0 DHAERN CCCC(CCC)C(=O)N1CCC(Cn2nc(C)cc2C)CC1 ZINC000062130814 1025936178 /nfs/dbraw/zinc/93/61/78/1025936178.db2.gz ATRPQEQPEKPLOI-UHFFFAOYSA-N 0 0 319.493 3.955 10 0 DHAERN Cc1ccc(F)c(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067047379 1030519075 /nfs/dbraw/zinc/51/90/75/1030519075.db2.gz BZWNLYIHWAQUAF-GFCCVEGCSA-N 0 0 304.390 3.610 10 0 DHAERN CCS[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)C(C)C ZINC000067046754 1030519712 /nfs/dbraw/zinc/51/97/12/1030519712.db2.gz WNEDQJNNCFGGKC-STQMWFEESA-N 0 0 312.504 3.627 10 0 DHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000068254556 1030535685 /nfs/dbraw/zinc/53/56/85/1030535685.db2.gz HXJNSOSLNYUCGU-DNVCBOLYSA-N 0 0 323.392 3.630 10 0 DHAERN C[C@@H](CC1CC1)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000074205888 1030613961 /nfs/dbraw/zinc/61/39/61/1030613961.db2.gz RKLHKUMCZOEXQA-ZDUSSCGKSA-N 0 0 319.424 3.600 10 0 DHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909260 1030628132 /nfs/dbraw/zinc/62/81/32/1030628132.db2.gz MVMFYKAKKRRHMM-ZDUSSCGKSA-N 0 0 322.817 3.539 10 0 DHAERN Oc1c(I)cccc1OC1CCCCC1 ZINC000095713497 185383144 /nfs/dbraw/zinc/38/31/44/185383144.db2.gz UNFBGMOXAZYYFK-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CC(C)c1ccc(I)c(OC2CC2)c1 ZINC000095722023 185383414 /nfs/dbraw/zinc/38/34/14/185383414.db2.gz VYPLOGCVFGVKBQ-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN CC(C)Oc1ccc(I)cc1OC1CC1 ZINC000095725030 185383501 /nfs/dbraw/zinc/38/35/01/185383501.db2.gz UKKJMNFSQMPXQV-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CSc1cc(I)cc(OC2CC2)c1 ZINC000095732280 185383549 /nfs/dbraw/zinc/38/35/49/185383549.db2.gz OLHBHOLPWRCSHO-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000095752101 185383821 /nfs/dbraw/zinc/38/38/21/185383821.db2.gz YIWWHBLNPHYESE-MRXNPFEDSA-N 0 0 318.461 3.866 10 0 DHAERN CC(C)(C)OC(=O)N1CCCc2c(Br)ccnc21 ZINC000095774325 185384153 /nfs/dbraw/zinc/38/41/53/185384153.db2.gz DETMGAVRZWVCAG-UHFFFAOYSA-N 0 0 313.195 3.532 10 0 DHAERN N[C@@H](c1nc2c(s1)CCC2)c1ccc(F)c(C(F)(F)F)c1 ZINC000096795219 185388833 /nfs/dbraw/zinc/38/88/33/185388833.db2.gz PXYFMOKIZVQEPL-GFCCVEGCSA-N 0 0 316.323 3.838 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000079433939 185171489 /nfs/dbraw/zinc/17/14/89/185171489.db2.gz IZBDPCAPNCWZEZ-ZYHUDNBSSA-N 0 0 321.289 3.745 10 0 DHAERN O=Cc1c(Br)cc(F)c(F)c1N1CCCCC1 ZINC000328579692 231230882 /nfs/dbraw/zinc/23/08/82/231230882.db2.gz WSRYIQFBFYYSCN-UHFFFAOYSA-N 0 0 304.134 3.530 10 0 DHAERN COc1ccc(Br)cc1N[C@@H](C)c1cn(C)nc1C ZINC000087409484 185224239 /nfs/dbraw/zinc/22/42/39/185224239.db2.gz CSVXSBFYQYDLRZ-VIFPVBQESA-N 0 0 324.222 3.673 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000088559864 185257952 /nfs/dbraw/zinc/25/79/52/185257952.db2.gz GWIQYJOVOJVKTQ-IINYFYTJSA-N 0 0 322.815 3.819 10 0 DHAERN Cc1csc(CN2C[C@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594638 185258754 /nfs/dbraw/zinc/25/87/54/185258754.db2.gz PVAJWEFLQUNLNI-OAHLLOKOSA-N 0 0 302.443 3.804 10 0 DHAERN COc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000090141788 185283435 /nfs/dbraw/zinc/28/34/35/185283435.db2.gz MERYWBSLPLFWCC-UWVGGRQHSA-N 0 0 319.298 3.685 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](CC(C)C)c1cccs1 ZINC000090224536 185287416 /nfs/dbraw/zinc/28/74/16/185287416.db2.gz RILFKMSMRPQEKZ-ZIAGYGMSSA-N 0 0 304.463 3.860 10 0 DHAERN CCCC(CCC)C(=O)N1NC(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000090416147 185295011 /nfs/dbraw/zinc/29/50/11/185295011.db2.gz OQOAHJJTTPMKKN-OAHLLOKOSA-N 0 0 322.836 3.861 10 0 DHAERN CCc1cc2c(ccn(Cc3ccc(OC)cc3)c2=O)cc1F ZINC000090415463 185295162 /nfs/dbraw/zinc/29/51/62/185295162.db2.gz WLZFHSOZZOAAAO-UHFFFAOYSA-N 0 0 311.356 3.760 10 0 DHAERN Cc1ccccc1C(=O)c1c[nH]c2ncc(Br)cc12 ZINC000090550587 185302430 /nfs/dbraw/zinc/30/24/30/185302430.db2.gz SUVBCKMRHZEMLD-UHFFFAOYSA-N 0 0 315.170 3.865 10 0 DHAERN Cc1nc(Cl)c(-c2ccccc2)n(Cc2ccccc2)c1=O ZINC000090647101 185308057 /nfs/dbraw/zinc/30/80/57/185308057.db2.gz YTGWEQCEZHXNQF-UHFFFAOYSA-N 0 0 310.784 3.920 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccc(C)cc3C)CCO2)n1 ZINC000092790069 185341432 /nfs/dbraw/zinc/34/14/32/185341432.db2.gz YFBDKGJWKVZKCO-MRXNPFEDSA-N 0 0 302.443 3.642 10 0 DHAERN CCN(C(=O)C(C)C)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396144 185352823 /nfs/dbraw/zinc/35/28/23/185352823.db2.gz VHBAZZMLHDDXDF-IBGZPJMESA-N 0 0 324.424 3.610 10 0 DHAERN Cc1ccccc1COc1ccc(/C=C/C(N)=O)cc1Cl ZINC000226332985 201776636 /nfs/dbraw/zinc/77/66/36/201776636.db2.gz WZCITBFOJYESNS-VQHVLOKHSA-N 0 0 301.773 3.726 10 0 DHAERN CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)C(C1CC1)C1CC1 ZINC000109095520 185551393 /nfs/dbraw/zinc/55/13/93/185551393.db2.gz QBKUJCNGLWABNT-UONOGXRCSA-N 0 0 305.368 3.715 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cc(Cl)cc(Br)c1 ZINC000227764570 340602533 /nfs/dbraw/zinc/60/25/33/340602533.db2.gz QOXOJYUMQTWFNC-MRVPVSSYSA-N 0 0 304.615 3.877 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(c2ccc3o[nH]c(=O)c3c2)CC1 ZINC000148063236 186043364 /nfs/dbraw/zinc/04/33/64/186043364.db2.gz GIDNCHZIQVXDQP-UHFFFAOYSA-N 0 0 318.373 3.648 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2sc(C)nc2C)C12CCCC2 ZINC000150808128 186067279 /nfs/dbraw/zinc/06/72/79/186067279.db2.gz XTVIVXZQBHXDSG-KBPBESRZSA-N 0 0 322.474 3.570 10 0 DHAERN CC(C)(C)NC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450727 191170528 /nfs/dbraw/zinc/17/05/28/191170528.db2.gz HWJNORYCLLSUFS-UHFFFAOYSA-N 0 0 320.392 3.723 10 0 DHAERN Fc1ccc(-c2ccnc3nc(Cc4ccccc4)nn32)cc1 ZINC000072451387 191170635 /nfs/dbraw/zinc/17/06/35/191170635.db2.gz UWOGXIWCTRXXFI-UHFFFAOYSA-N 0 0 304.328 3.521 10 0 DHAERN O=C(c1cccc(Cl)c1)N1CCCn2c3ccccc3nc21 ZINC000072465437 191174240 /nfs/dbraw/zinc/17/42/40/191174240.db2.gz HYJCQKBGLKERPR-UHFFFAOYSA-N 0 0 311.772 3.740 10 0 DHAERN Cc1ccnc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)c1 ZINC000000424075 180785094 /nfs/dbraw/zinc/78/50/94/180785094.db2.gz MVGDGDJJXUUPNR-HNNXBMFYSA-N 0 0 304.802 3.822 10 0 DHAERN CC(C)(C)c1ccc(C(=O)NC(=S)NC2CCCCC2)cc1 ZINC000000503018 180808964 /nfs/dbraw/zinc/80/89/64/180808964.db2.gz XPJQDPHXXIGAKN-UHFFFAOYSA-N 0 0 318.486 3.921 10 0 DHAERN O=C1N(Cc2ccccc2)CCN1c1ccc(F)c(Cl)c1 ZINC000001500348 180869912 /nfs/dbraw/zinc/86/99/12/180869912.db2.gz YLICRBAHPMFUGM-UHFFFAOYSA-N 0 0 304.752 3.921 10 0 DHAERN CCOC(=O)c1c(C)oc(C)c1CP(=O)(OCC)OCC ZINC000001870067 180900174 /nfs/dbraw/zinc/90/01/74/180900174.db2.gz KMNXPXYTJOBWEG-UHFFFAOYSA-N 0 0 318.306 3.839 10 0 DHAERN CC(=O)N[C@H](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000003656432 181044112 /nfs/dbraw/zinc/04/41/12/181044112.db2.gz QZJNFQSONSFTJX-OAHLLOKOSA-N 0 0 306.409 3.757 10 0 DHAERN Nc1cccc2ncnc(Nc3cccc(Br)c3)c12 ZINC000003815276 181046669 /nfs/dbraw/zinc/04/66/69/181046669.db2.gz VFDHVXMKHJATKX-UHFFFAOYSA-N 0 0 315.174 3.718 10 0 DHAERN O=c1cc(-c2cccnc2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073661901 191338353 /nfs/dbraw/zinc/33/83/53/191338353.db2.gz MMWYYFNGXIZLPQ-UHFFFAOYSA-N 0 0 317.270 3.518 10 0 DHAERN C[C@H](NC(=O)c1cc(-c2ccncc2)cn1C)c1ccccc1 ZINC000075508833 191482341 /nfs/dbraw/zinc/48/23/41/191482341.db2.gz WRMXTERSFJJGDR-AWEZNQCLSA-N 0 0 305.381 3.578 10 0 DHAERN Cc1nc(CSc2ccccc2C(=O)N[C@@H]2C[C@@H]2C)cs1 ZINC000075520240 191484920 /nfs/dbraw/zinc/48/49/20/191484920.db2.gz PNPIRBIJBHLOBR-IINYFYTJSA-N 0 0 318.467 3.882 10 0 DHAERN O=C(NCc1ccc(Cl)cc1)Nc1ccc2snnc2c1 ZINC000005152168 181209925 /nfs/dbraw/zinc/20/99/25/181209925.db2.gz JEENOUTYLDASFY-UHFFFAOYSA-N 0 0 318.789 3.666 10 0 DHAERN Cc1nc(C)c(-c2ccc(SCc3ccncc3)nn2)s1 ZINC000005381225 181237237 /nfs/dbraw/zinc/23/72/37/181237237.db2.gz BYPSQOXFDKVTTD-UHFFFAOYSA-N 0 0 314.439 3.904 10 0 DHAERN CCCCOC(=O)C[P@](=O)(OCCCC)c1ccccc1 ZINC000005298248 181227652 /nfs/dbraw/zinc/22/76/52/181227652.db2.gz AJVDUWWVXBWTMZ-NRFANRHFSA-N 0 0 312.346 3.750 10 0 DHAERN CC(C)COC(=O)c1ccc(NC(=O)c2cccc(F)c2)cc1 ZINC000005643637 181267174 /nfs/dbraw/zinc/26/71/74/181267174.db2.gz JUMMBZLABOXCIA-UHFFFAOYSA-N 0 0 315.344 3.891 10 0 DHAERN O=C(c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccncc1 ZINC000005740993 181279513 /nfs/dbraw/zinc/27/95/13/181279513.db2.gz CFDVGISUQGZZQP-FQEVSTJZSA-N 0 0 314.388 3.870 10 0 DHAERN CCN(CC)c1nc(Cl)nc(N[C@@H](C)c2ccccc2)n1 ZINC000005849837 181289645 /nfs/dbraw/zinc/28/96/45/181289645.db2.gz MPEOPOSOAUMROE-NSHDSACASA-N 0 0 305.813 3.544 10 0 DHAERN O=C(/C=C\c1ccc(Cl)cc1Cl)NCc1ccncc1 ZINC000005932170 181297315 /nfs/dbraw/zinc/29/73/15/181297315.db2.gz VWRCJILLXRTJKR-RQOWECAXSA-N 0 0 307.180 3.718 10 0 DHAERN COc1cc([C@H]2[C@@H]3CCCC[C@@H]3C=C[C@@H]2C)oc(=O)c1C=O ZINC000006037324 181307472 /nfs/dbraw/zinc/30/74/72/181307472.db2.gz AWQLNKJBXASXDU-SFDCBXKLSA-N 0 0 302.370 3.557 10 0 in-vitro DHAERN C[C@@H]1C[C@@H](C)CN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000006250735 181322832 /nfs/dbraw/zinc/32/28/32/181322832.db2.gz KIMQUNKWJBREQP-IURQOMBCSA-N 0 0 322.246 3.967 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000006396649 181337166 /nfs/dbraw/zinc/33/71/66/181337166.db2.gz XRBJJBSBFBEPET-GJZGRUSLSA-N 0 0 316.445 3.933 10 0 DHAERN CCC(=O)Nc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1 ZINC000006591602 181358808 /nfs/dbraw/zinc/35/88/08/181358808.db2.gz FKTFHGFSVHQZHD-AWEZNQCLSA-N 0 0 304.434 3.980 10 0 DHAERN CC(=O)N(Cc1nccn1Cc1cccc(Cl)c1)CC(C)C ZINC000006689492 181370869 /nfs/dbraw/zinc/37/08/69/181370869.db2.gz SRJGRLNJHDSIDT-UHFFFAOYSA-N 0 0 319.836 3.589 10 0 DHAERN COC(=O)C1CCC(c2nc(-c3ccc(C)c(F)c3)no2)CC1 ZINC000091582652 193075406 /nfs/dbraw/zinc/07/54/06/193075406.db2.gz MQVUCFAATAGLPY-UHFFFAOYSA-N 0 0 318.348 3.631 10 0 DHAERN COc1ccc(Oc2nc(Cl)ncc2Br)cc1 ZINC000091657730 193085717 /nfs/dbraw/zinc/08/57/17/193085717.db2.gz DACNHXYGAPEAHP-UHFFFAOYSA-N 0 0 315.554 3.693 10 0 DHAERN COC(=O)c1nc(-c2cccc(Cl)c2)cc(C(F)(F)F)n1 ZINC000217025138 201508153 /nfs/dbraw/zinc/50/81/53/201508153.db2.gz APKXEVRQTFBFNX-UHFFFAOYSA-N 0 0 316.666 3.602 10 0 DHAERN CC(C)Cc1ncc(CN2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000093438554 193252277 /nfs/dbraw/zinc/25/22/77/193252277.db2.gz ZIEPMQWRYTUWHQ-HNNXBMFYSA-N 0 0 304.463 3.792 10 0 DHAERN Cc1noc(C)c1-c1ccc(C(=O)Nc2cccc(C)n2)s1 ZINC000008415392 181555681 /nfs/dbraw/zinc/55/56/81/181555681.db2.gz AJKCQZKPOVWQTA-UHFFFAOYSA-N 0 0 313.382 3.976 10 0 DHAERN CCCCC(=O)NC(=S)Nc1ccc(O[C@@H](C)CC)cc1 ZINC000009266459 181610595 /nfs/dbraw/zinc/61/05/95/181610595.db2.gz WRORKKIZIRDUOG-LBPRGKRZSA-N 0 0 308.447 3.867 10 0 DHAERN CCCCNC(=O)CCCCCCCCC(=O)NCCCC ZINC000010472038 181671770 /nfs/dbraw/zinc/67/17/70/181671770.db2.gz BDHSFHOENWANGD-UHFFFAOYSA-N 0 0 312.498 3.940 10 0 DHAERN C[C@@H]1CCCN(C(=O)Cc2cc(-c3ccc(Cl)cc3)on2)C1 ZINC000012863271 181804747 /nfs/dbraw/zinc/80/47/47/181804747.db2.gz FPOVRCWCZFDWTN-GFCCVEGCSA-N 0 0 318.804 3.796 10 0 DHAERN CC(=O)N1CCc2ccc(NC(=O)c3cccc(Cl)c3)cc21 ZINC000013696042 181881194 /nfs/dbraw/zinc/88/11/94/181881194.db2.gz BECMPSIYDKRCOZ-UHFFFAOYSA-N 0 0 314.772 3.501 10 0 DHAERN O=C1c2cccn2-c2ccccc2[S@](=O)[C@@H]1c1ccccc1 ZINC000013739844 181887066 /nfs/dbraw/zinc/88/70/66/181887066.db2.gz UIJBXPGAWJVYKK-XMSQKQJNSA-N 0 0 307.374 3.523 10 0 DHAERN COc1ccccc1NC(=S)NC(=O)CCC1CCCCC1 ZINC000014028923 181921045 /nfs/dbraw/zinc/92/10/45/181921045.db2.gz AJJNZKXEHRYLPF-UHFFFAOYSA-N 0 0 320.458 3.869 10 0 DHAERN CCOc1ccc(C=CC(=O)Oc2ccc(C(C)=O)cc2)cc1 ZINC000014463995 181953678 /nfs/dbraw/zinc/95/36/78/181953678.db2.gz FBZQJRKCKKFOEG-AWNIVKPZSA-N 0 0 310.349 3.907 10 0 DHAERN O=C1C2=C(CCCC2)C(=O)N1c1ccc2nc(Cl)sc2c1 ZINC000014984367 181981395 /nfs/dbraw/zinc/98/13/95/181981395.db2.gz ZYJWPOHGCSBGLR-UHFFFAOYSA-N 0 0 318.785 3.694 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)CCC(=O)c1cccs1 ZINC000015686030 182012428 /nfs/dbraw/zinc/01/24/28/182012428.db2.gz NMWGTYXTTNNEKA-ZDUSSCGKSA-N 0 0 301.411 3.897 10 0 DHAERN COc1ccc(C=O)cc1OCc1ccccc1Br ZINC000016227616 182038018 /nfs/dbraw/zinc/03/80/18/182038018.db2.gz FKDZYYJZZPZGOW-UHFFFAOYSA-N 0 0 321.170 3.849 10 0 DHAERN O=C(NCN1CC[C@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000016478367 182046497 /nfs/dbraw/zinc/04/64/97/182046497.db2.gz QYAOYCXCWXTZIG-INIZCTEOSA-N 0 0 314.816 3.517 10 0 DHAERN C[C@H](NC(=O)CCc1ccccc1O)c1ccc(Cl)cc1 ZINC000017959338 182088501 /nfs/dbraw/zinc/08/85/01/182088501.db2.gz HMCGMBFTVVEVLT-LBPRGKRZSA-N 0 0 303.789 3.856 10 0 DHAERN CCn1c2ccc(C(C)C)cc2s/c1=N/C(=O)c1ccno1 ZINC000018230113 182100164 /nfs/dbraw/zinc/10/01/64/182100164.db2.gz VFFTVXXNQMBODY-FBMGVBCBSA-N 0 0 315.398 3.575 10 0 DHAERN NC(=S)c1ccccc1OCc1ccccc1Br ZINC000019502210 182126241 /nfs/dbraw/zinc/12/62/41/182126241.db2.gz UGRVMCQYCMSPEX-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1ccc(Cn2ncc3cc(Br)cnc32)s1 ZINC000019518262 182127165 /nfs/dbraw/zinc/12/71/65/182127165.db2.gz GCRRGNBEJTYUBA-UHFFFAOYSA-N 0 0 308.204 3.612 10 0 DHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000019846116 182156553 /nfs/dbraw/zinc/15/65/53/182156553.db2.gz KYBUGGWPZBQGHK-CYBMUJFWSA-N 0 0 300.427 3.838 10 0 DHAERN Cc1ccc(C)c(SCC(=O)Nc2ccc(N)cc2C)c1 ZINC000019846552 182156812 /nfs/dbraw/zinc/15/68/12/182156812.db2.gz QKZXYCKBJYQFNQ-UHFFFAOYSA-N 0 0 300.427 3.925 10 0 DHAERN Cc1cccc(-c2nc3sc4c(c3c(=O)n2C)CCCC4)c1 ZINC000019998062 182175960 /nfs/dbraw/zinc/17/59/60/182175960.db2.gz MCOWSSNYTRLCEN-UHFFFAOYSA-N 0 0 310.422 3.849 10 0 DHAERN Nc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl ZINC000020013287 182177642 /nfs/dbraw/zinc/17/76/42/182177642.db2.gz KAMUSEDYLKYLDY-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2N)cc1 ZINC000020023182 182179684 /nfs/dbraw/zinc/17/96/84/182179684.db2.gz XMPVPISFWBUVCI-UHFFFAOYSA-N 0 0 306.818 3.961 10 0 DHAERN COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c1 ZINC000019998432 182176020 /nfs/dbraw/zinc/17/60/20/182176020.db2.gz WXGNVCHATYSPAY-UHFFFAOYSA-N 0 0 312.152 3.960 10 0 DHAERN CCOC(=O)Cc1nc(-c2nc3ccccc3s2)cs1 ZINC000020311762 182205798 /nfs/dbraw/zinc/20/57/98/182205798.db2.gz BHNZDFCKLLCRKZ-UHFFFAOYSA-N 0 0 304.396 3.525 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)cc1 ZINC000020335972 182209117 /nfs/dbraw/zinc/20/91/17/182209117.db2.gz ZCQOSGOARVWJMF-UHFFFAOYSA-N 0 0 309.394 3.574 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1 ZINC000020335906 182209356 /nfs/dbraw/zinc/20/93/56/182209356.db2.gz SQMKIEOFYGLSFK-UHFFFAOYSA-N 0 0 301.396 3.706 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1 ZINC000020335920 182209406 /nfs/dbraw/zinc/20/94/06/182209406.db2.gz ORRFGAKKZUJLBH-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN Nc1cc(NC(=O)CCCOc2ccccc2)ccc1Cl ZINC000020343885 182209716 /nfs/dbraw/zinc/20/97/16/182209716.db2.gz AAQHVHMUFGKHRB-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN Nc1ccc(Cl)c(NC(=O)c2ccc(Br)o2)c1 ZINC000020344293 182209965 /nfs/dbraw/zinc/20/99/65/182209965.db2.gz KKMBMKDFCGBUSY-UHFFFAOYSA-N 0 0 315.554 3.530 10 0 DHAERN S=C1N=NC(c2cccs2)N1Cc1ccccc1Cl ZINC000020591087 182235616 /nfs/dbraw/zinc/23/56/16/182235616.db2.gz SNJBTKONMFAFEA-UHFFFAOYSA-N 0 0 307.831 3.997 10 0 DHAERN Cc1cccc(-c2nc3ccc(NC(=O)[C@@H]4CCCO4)cc3o2)c1 ZINC000021143394 182266771 /nfs/dbraw/zinc/26/67/71/182266771.db2.gz BBKUYPPNTZBWIT-INIZCTEOSA-N 0 0 322.364 3.921 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCn3c(nc4ccccc43)C2)cc1F ZINC000021534534 182279341 /nfs/dbraw/zinc/27/93/41/182279341.db2.gz NJKGCUFUMBLWRI-ZDUSSCGKSA-N 0 0 323.371 3.685 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000021871957 182295593 /nfs/dbraw/zinc/29/55/93/182295593.db2.gz AVPIJJWYTWBZOO-GFCCVEGCSA-N 0 0 305.349 3.772 10 0 DHAERN CCOC(=O)c1sc2ncnc(N[C@@H](C)C(C)C)c2c1C ZINC000023744409 182367660 /nfs/dbraw/zinc/36/76/60/182367660.db2.gz MLZBAEVXVBUHJW-JTQLQIEISA-N 0 0 307.419 3.633 10 0 DHAERN Cc1c2ccc3ccccc3c2oc1C(=O)N(C)CC1CC(O)C1 ZINC000135357066 335029716 /nfs/dbraw/zinc/02/97/16/335029716.db2.gz SCMBJXNVGBVIMI-UHFFFAOYSA-N 0 0 323.392 3.737 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1(c2ccccc2)CC1 ZINC000027857271 182493502 /nfs/dbraw/zinc/49/35/02/182493502.db2.gz VNXGZRXSZKGHMO-KBPBESRZSA-N 0 0 311.347 3.956 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)N2CCOC3(CCC3)C2)c2ccccc21 ZINC000152371531 335034101 /nfs/dbraw/zinc/03/41/01/335034101.db2.gz WRYMBSDNIJQQFS-WMLDXEAASA-N 0 0 314.429 3.590 10 0 DHAERN COc1ccc(-c2ncnc3scc(C)c32)c(-n2cccn2)c1 ZINC000032576703 182648609 /nfs/dbraw/zinc/64/86/09/182648609.db2.gz AMQGAHBQSZAQNN-UHFFFAOYSA-N 0 0 322.393 3.861 10 0 DHAERN CCOC(=O)c1ccccc1NC(=O)/C=C\c1ccc(C)cc1 ZINC000033316281 182703234 /nfs/dbraw/zinc/70/32/34/182703234.db2.gz HJRPAEQICQXOGR-SEYXRHQNSA-N 0 0 309.365 3.824 10 0 DHAERN CCOC(=O)[C@@H](CC(C)C)Nc1ccccc1Br ZINC000037960120 182943194 /nfs/dbraw/zinc/94/31/94/182943194.db2.gz HYJLWJKAKLWBQR-CYBMUJFWSA-N 0 0 314.223 3.839 10 0 DHAERN CCCCC[C@@H](Nc1ccc(Br)cc1)C(=O)OC ZINC000037960425 182943218 /nfs/dbraw/zinc/94/32/18/182943218.db2.gz BJZXWRSLODVBCL-CYBMUJFWSA-N 0 0 314.223 3.983 10 0 DHAERN Cc1ccc2n1CCN(C(=O)c1cnc(Cl)c(Cl)c1)[C@H]2C ZINC000037974596 182946902 /nfs/dbraw/zinc/94/69/02/182946902.db2.gz XIJPIVDPVYYSGI-JTQLQIEISA-N 0 0 324.211 3.715 10 0 DHAERN CCOC(=O)[C@@](C)(O)c1cccc2c(-c3ccccc3)coc21 ZINC000038614183 183004190 /nfs/dbraw/zinc/00/41/90/183004190.db2.gz IQLIOUSSZDMCHB-IBGZPJMESA-N 0 0 310.349 3.870 10 0 DHAERN CC(C)Cn1c(CNC(=O)c2cccs2)nc2ccccc21 ZINC000040196963 183044600 /nfs/dbraw/zinc/04/46/00/183044600.db2.gz JOXNBVPQISLKMF-UHFFFAOYSA-N 0 0 313.426 3.684 10 0 DHAERN C=CC(=O)NCCCc1nc2ccccc2n1CCCCCC ZINC000040210012 183045303 /nfs/dbraw/zinc/04/53/03/183045303.db2.gz GCLKSCATDFKRQK-UHFFFAOYSA-N 0 0 313.445 3.851 10 0 DHAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1ccccc1F ZINC000040295912 183053039 /nfs/dbraw/zinc/05/30/39/183053039.db2.gz QMPVNVMNUAURCV-UHFFFAOYSA-N 0 0 309.344 3.692 10 0 DHAERN Cc1ccc(OCC(=O)c2ccc(Br)cc2)c(N)c1 ZINC000040354760 183056450 /nfs/dbraw/zinc/05/64/50/183056450.db2.gz YARROXYSOMLRFT-UHFFFAOYSA-N 0 0 320.186 3.601 10 0 DHAERN OCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccccc1 ZINC000040400929 183061742 /nfs/dbraw/zinc/06/17/42/183061742.db2.gz MHRATDIRJGYWEU-UHFFFAOYSA-N 0 0 306.287 3.714 10 0 DHAERN COCCn1c2ccc(C(F)(F)F)cc2nc1C(C)(C)C ZINC000040404474 183062347 /nfs/dbraw/zinc/06/23/47/183062347.db2.gz VZMAZBZIBVYZFV-UHFFFAOYSA-N 0 0 300.324 3.999 10 0 DHAERN Cc1ccc(Nc2ncnc(NC(C)(C)C)c2N)cc1Cl ZINC000040680400 183117268 /nfs/dbraw/zinc/11/72/68/183117268.db2.gz BVDDFRMAZCSPEV-UHFFFAOYSA-N 0 0 305.813 3.975 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3ccc(C)cc3C)c2N)c1 ZINC000040701308 183119605 /nfs/dbraw/zinc/11/96/05/183119605.db2.gz SXTMTJKDLFZBIX-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccc(Nc2ncnc(Oc3cccnc3)c2N)cc1C ZINC000040702998 183119609 /nfs/dbraw/zinc/11/96/09/183119609.db2.gz WHRDYVUQBSXNMY-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1ccc(C)c(Nc2[nH]cnc(=NNc3ccccc3)c2N)c1 ZINC000040704480 183119966 /nfs/dbraw/zinc/11/99/66/183119966.db2.gz DAAJPSCLOOSGHF-UHFFFAOYSA-N 0 0 320.400 3.858 10 0 DHAERN CCCNc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703950 183120314 /nfs/dbraw/zinc/12/03/14/183120314.db2.gz KTNSEYNGVSHMNI-UHFFFAOYSA-N 0 0 312.204 3.931 10 0 DHAERN CC(C)Nc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040708145 183120717 /nfs/dbraw/zinc/12/07/17/183120717.db2.gz OXVJNRJEMSKYQI-UHFFFAOYSA-N 0 0 312.204 3.930 10 0 DHAERN Nc1c(Cl)ncnc1NC(c1ccccc1)c1ccccc1 ZINC000040571962 183104449 /nfs/dbraw/zinc/10/44/49/183104449.db2.gz NHIDWZYYIITSQB-UHFFFAOYSA-N 0 0 310.788 3.914 10 0 DHAERN COc1ccccc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040781021 183133294 /nfs/dbraw/zinc/13/32/94/183133294.db2.gz WIUVRLXORANLIY-UHFFFAOYSA-N 0 0 307.357 3.555 10 0 DHAERN CC(=O)c1ccc(NC(=O)c2cc3c(cccc3F)n2C)cc1 ZINC000040788301 183133834 /nfs/dbraw/zinc/13/38/34/183133834.db2.gz HXGKINOPRDWVHC-UHFFFAOYSA-N 0 0 310.328 3.772 10 0 DHAERN Cc1ccc(CNc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040783774 183134019 /nfs/dbraw/zinc/13/40/19/183134019.db2.gz YTFNSHUOCLNCQG-UHFFFAOYSA-N 0 0 306.369 3.772 10 0 DHAERN Cc1ccc(Sc2ncnc(Oc3cccnc3)c2N)cc1 ZINC000040783410 183134108 /nfs/dbraw/zinc/13/41/08/183134108.db2.gz UYACKHRKURZBRE-UHFFFAOYSA-N 0 0 310.382 3.706 10 0 DHAERN CC(C)CCNc1ncnc(Nc2ccc(F)c(F)c2)c1N ZINC000040797827 183135269 /nfs/dbraw/zinc/13/52/69/183135269.db2.gz NSIGQSPAICMRKS-UHFFFAOYSA-N 0 0 307.348 3.539 10 0 DHAERN Nc1c(Nc2cc(F)ccc2F)ncnc1OC1CCCCC1 ZINC000040800182 183135578 /nfs/dbraw/zinc/13/55/78/183135578.db2.gz VOECFVYHIOQMBJ-UHFFFAOYSA-N 0 0 320.343 3.792 10 0 DHAERN Cc1ccccc1Nc1[nH]cnc(=NNc2ccccc2)c1N ZINC000040757444 183129450 /nfs/dbraw/zinc/12/94/50/183129450.db2.gz NFBPDZBHLJMMPU-UHFFFAOYSA-N 0 0 306.373 3.550 10 0 DHAERN Cc1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1C ZINC000040757652 183129897 /nfs/dbraw/zinc/12/98/97/183129897.db2.gz YBSTVVAFFNHZGH-UHFFFAOYSA-N 0 0 321.384 3.907 10 0 DHAERN Nc1c(NCc2ccco2)ncnc1Nc1ccc(Cl)cc1 ZINC000040761285 183130083 /nfs/dbraw/zinc/13/00/83/183130083.db2.gz MYAASUBSPLVBBH-UHFFFAOYSA-N 0 0 315.764 3.661 10 0 DHAERN Nc1c(Nc2ccccc2F)ncnc1OC1CCCCC1 ZINC000040759354 183130207 /nfs/dbraw/zinc/13/02/07/183130207.db2.gz BQHIYIQRDXILIE-UHFFFAOYSA-N 0 0 302.353 3.653 10 0 DHAERN COc1cc(/C=C/C(=O)NCC(C)C)ccc1OCCC(C)C ZINC000040942164 183149766 /nfs/dbraw/zinc/14/97/66/183149766.db2.gz BLZZPVJVDLGSCR-VQHVLOKHSA-N 0 0 319.445 3.906 10 0 DHAERN O=C(Nc1ccccc1F)c1cnc2cc(Cl)ccc2c1O ZINC000041056009 183159832 /nfs/dbraw/zinc/15/98/32/183159832.db2.gz ZBPPSNQIGJSZKI-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN COC(=O)c1ccc(Nc2ccnc3ccc(OC)cc32)cc1 ZINC000041055405 183160194 /nfs/dbraw/zinc/16/01/94/183160194.db2.gz JDODMILVKACGCH-UHFFFAOYSA-N 0 0 308.337 3.774 10 0 DHAERN COc1ccccc1C(=O)Nc1ccnc2c(F)cc(F)cc12 ZINC000041058165 183160846 /nfs/dbraw/zinc/16/08/46/183160846.db2.gz MKQNLIACJCGUCV-UHFFFAOYSA-N 0 0 314.291 3.774 10 0 DHAERN COc1ccc(Cl)cc1C[C@H](CO)Cc1ccc(F)cc1 ZINC000041542775 183201169 /nfs/dbraw/zinc/20/11/69/183201169.db2.gz BTAKAYOQCXRLEG-CYBMUJFWSA-N 0 0 308.780 3.881 10 0 DHAERN CCN(CCC(N)=S)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000042452120 183271755 /nfs/dbraw/zinc/27/17/55/183271755.db2.gz QEXODMVAEITSOL-UHFFFAOYSA-N 0 0 320.245 3.523 10 0 DHAERN O=S1CCC(Nc2c(Cl)cc(Cl)cc2Cl)CC1 ZINC000042336258 183255935 /nfs/dbraw/zinc/25/59/35/183255935.db2.gz JJMYBBZWTRRNAI-UHFFFAOYSA-N 0 0 312.649 3.970 10 0 DHAERN CC(C)[C@@H](O)c1cc(Br)sc1Br ZINC000042352225 183257157 /nfs/dbraw/zinc/25/71/57/183257157.db2.gz WTBUUFODBHAAJM-SSDOTTSWSA-N 0 0 314.042 3.963 10 0 DHAERN CN(Cc1csc(Br)c1)Cc1ccccc1N ZINC000042360292 183258046 /nfs/dbraw/zinc/25/80/46/183258046.db2.gz JOWUVMDTAAATNC-UHFFFAOYSA-N 0 0 311.248 3.725 10 0 DHAERN COCCN(CC(C)C)[C@H](C)C(=O)c1ccc(Cl)s1 ZINC000042370400 183259866 /nfs/dbraw/zinc/25/98/66/183259866.db2.gz RGLNWHKBEPZTAW-LLVKDONJSA-N 0 0 303.855 3.577 10 0 DHAERN CC[C@H](NC(=O)c1ccc(Br)cc1F)C(C)C ZINC000042550766 183284318 /nfs/dbraw/zinc/28/43/18/183284318.db2.gz LUXIFGWPVPKHJC-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1nc(C)cs1 ZINC000104786427 194039944 /nfs/dbraw/zinc/03/99/44/194039944.db2.gz PGGKNKRUSBEVFG-NWDGAFQWSA-N 0 0 307.419 3.864 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000105042178 194066917 /nfs/dbraw/zinc/06/69/17/194066917.db2.gz BMOJKALDCVVNIV-GWCFXTLKSA-N 0 0 305.378 3.564 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1cccc2ccccc21)[C@@H]1CCCO1 ZINC000046971148 183576210 /nfs/dbraw/zinc/57/62/10/183576210.db2.gz SMCQEFLZENKNME-KDOFPFPSSA-N 0 0 312.413 3.549 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000105851365 194146918 /nfs/dbraw/zinc/14/69/18/194146918.db2.gz AHMACZASVKYEBI-QGZVFWFLSA-N 0 0 311.429 3.540 10 0 DHAERN CCOc1ccccc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000106370990 194203028 /nfs/dbraw/zinc/20/30/28/194203028.db2.gz RDDXJUAINQHTPY-UHFFFAOYSA-N 0 0 313.445 3.501 10 0 DHAERN COc1ccc(COc2ccccc2N)cc1Br ZINC000049595692 183744940 /nfs/dbraw/zinc/74/49/40/183744940.db2.gz BKDDWFRWLYVXBQ-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN CC[C@H](C)[C@@](C)(O)Cc1ccc(OC)c(Br)c1 ZINC000049597803 183746036 /nfs/dbraw/zinc/74/60/36/183746036.db2.gz SOKGAUSXWHKOSY-HZMBPMFUSA-N 0 0 301.224 3.797 10 0 DHAERN CCNc1snnc1COc1c(Cl)cccc1Cl ZINC000050833193 183806287 /nfs/dbraw/zinc/80/62/87/183806287.db2.gz SJSOJOROMBBYCK-UHFFFAOYSA-N 0 0 304.202 3.856 10 0 DHAERN CCNc1cc(C(=O)Nc2ccccc2Br)ccn1 ZINC000050728418 183801958 /nfs/dbraw/zinc/80/19/58/183801958.db2.gz YRQPJTPJZDAFKP-UHFFFAOYSA-N 0 0 320.190 3.528 10 0 DHAERN Nc1ccc(CN2Cc3ccccc3C2)c(Br)c1 ZINC000050909995 183807198 /nfs/dbraw/zinc/80/71/98/183807198.db2.gz KEJRBUAHLGDZNZ-UHFFFAOYSA-N 0 0 303.203 3.547 10 0 DHAERN CN(Cc1ccccc1Br)c1cc(F)ccc1N ZINC000052121139 183850586 /nfs/dbraw/zinc/85/05/86/183850586.db2.gz BSVQPVSNRPNEHA-UHFFFAOYSA-N 0 0 309.182 3.807 10 0 DHAERN COc1ccc(-c2sc(Br)nc2C)cc1OC ZINC000057659251 184044722 /nfs/dbraw/zinc/04/47/22/184044722.db2.gz WDWVMLZFRAJBJH-UHFFFAOYSA-N 0 0 314.204 3.898 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)cc(F)c3)n2)c1 ZINC000057341981 184034144 /nfs/dbraw/zinc/03/41/44/184034144.db2.gz VGRIIRRKPBZLNR-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)c1 ZINC000057341996 184034365 /nfs/dbraw/zinc/03/43/65/184034365.db2.gz CLCHXKICCUOPOX-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN CC1(C)C(=O)Nc2ccc([C@@H](O)c3ccc(Cl)cc3)cc21 ZINC000058089571 184073990 /nfs/dbraw/zinc/07/39/90/184073990.db2.gz VUFNFBSKNSXMPQ-HNNXBMFYSA-N 0 0 301.773 3.651 10 0 DHAERN CC(=O)Cc1nsc(Nc2ccc(Cl)cc2Cl)n1 ZINC000059095393 184134131 /nfs/dbraw/zinc/13/41/31/184134131.db2.gz ZYMFQPWDVNMXCT-UHFFFAOYSA-N 0 0 302.186 3.720 10 0 DHAERN CC(C)[C@H](C)N(C)c1ccc([C@@H](C)O)cc1Br ZINC000061695461 184183250 /nfs/dbraw/zinc/18/32/50/184183250.db2.gz OXRJJHIWLLJDDL-WDEREUQCSA-N 0 0 300.240 3.983 10 0 DHAERN CCN(c1ccc(C(C)=O)cc1Br)[C@H](C)COC ZINC000061694185 184183446 /nfs/dbraw/zinc/18/34/46/184183446.db2.gz JORBPTINSYSDPY-SNVBAGLBSA-N 0 0 314.223 3.513 10 0 DHAERN O=C(c1ccc2c(c1)COC2)c1cc(Br)ccc1F ZINC000062331663 184231066 /nfs/dbraw/zinc/23/10/66/184231066.db2.gz GCUWPNHWVPPCQU-UHFFFAOYSA-N 0 0 321.145 3.849 10 0 DHAERN O[C@@H](Cc1ccc(Br)cc1)c1ccc2c(c1)COC2 ZINC000062334632 184231152 /nfs/dbraw/zinc/23/11/52/184231152.db2.gz OVNXUVOXWSOXOH-INIZCTEOSA-N 0 0 319.198 3.755 10 0 DHAERN CN(C)c1ccc(NCc2ccc(O)c(Br)c2)cc1 ZINC000062702024 184248036 /nfs/dbraw/zinc/24/80/36/184248036.db2.gz GFWIEFQKUKIREQ-UHFFFAOYSA-N 0 0 321.218 3.833 10 0 DHAERN Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1F ZINC000063009796 184266007 /nfs/dbraw/zinc/26/60/07/184266007.db2.gz IDZMLROQYHBXRS-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN CCN(C(=O)c1ccc(Br)cc1)c1cccc(N)c1 ZINC000063107226 184271301 /nfs/dbraw/zinc/27/13/01/184271301.db2.gz DYERAOWSWIDQQL-UHFFFAOYSA-N 0 0 319.202 3.698 10 0 DHAERN CC(C)(C)c1cc(C(=O)N2CCc3ccccc3C2)ccc1O ZINC000064466799 184297701 /nfs/dbraw/zinc/29/77/01/184297701.db2.gz DSXHBGQJLXQSQQ-UHFFFAOYSA-N 0 0 309.409 3.888 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2cncnc2)nc1 ZINC000065177995 184313851 /nfs/dbraw/zinc/31/38/51/184313851.db2.gz TUMVQCLAGQISGR-UHFFFAOYSA-N 0 0 324.771 3.753 10 0 DHAERN CC(C)(C)c1ccc(C(=O)NCc2n[nH]c3ccccc23)cc1 ZINC000064678903 184302545 /nfs/dbraw/zinc/30/25/45/184302545.db2.gz AEHPAYKNJXAOJG-UHFFFAOYSA-N 0 0 307.397 3.790 10 0 DHAERN CCNC(=O)c1cccc(-c2cc(O)cc(Br)c2)c1 ZINC000065343919 184326041 /nfs/dbraw/zinc/32/60/41/184326041.db2.gz NAYPUXDCUJDPFM-UHFFFAOYSA-N 0 0 320.186 3.571 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nccs1 ZINC000036430966 257129678 /nfs/dbraw/zinc/12/96/78/257129678.db2.gz XKQIMMSGBAFRMN-ZDUSSCGKSA-N 0 0 304.415 3.952 10 0 DHAERN COc1cc(Br)cc(SC)c1Br ZINC000209812364 257132686 /nfs/dbraw/zinc/13/26/86/257132686.db2.gz WRECEHQGYBWLJI-UHFFFAOYSA-N 0 0 312.026 3.942 10 0 DHAERN c1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 ZINC000000343277 134435286 /nfs/dbraw/zinc/43/52/86/134435286.db2.gz NHAXZOWPTAFHID-UHFFFAOYSA-N 0 0 317.392 3.647 10 0 DHAERN COc1ccc(CN2CCSc3ccc(N)cc32)cc1F ZINC000038051414 134705788 /nfs/dbraw/zinc/70/57/88/134705788.db2.gz DNSDUHQMSCBOQN-UHFFFAOYSA-N 0 0 304.390 3.529 10 0 DHAERN CC[C@@H](SC)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125512847 332854068 /nfs/dbraw/zinc/85/40/68/332854068.db2.gz AXEQYRJFXFVRPG-BXKDBHETSA-N 0 0 321.364 3.904 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)C2)c(Cl)c1 ZINC000067576925 331459527 /nfs/dbraw/zinc/45/95/27/331459527.db2.gz VVICNZROTKGKBN-JTQLQIEISA-N 0 0 309.797 3.562 10 0 DHAERN COC(=O)[C@@]1(C)CCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000187693866 331497522 /nfs/dbraw/zinc/49/75/22/331497522.db2.gz QRYIGQMFIHZUMI-HXUWFJFHSA-N 0 0 323.392 3.521 10 0 DHAERN C[C@@H]1COC[C@H](C)N1Cc1csc(CCc2ccccc2)n1 ZINC000175909742 332913278 /nfs/dbraw/zinc/91/32/78/332913278.db2.gz LHBHNMJVYFLSOH-GASCZTMLSA-N 0 0 316.470 3.538 10 0 DHAERN Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109084519 331510065 /nfs/dbraw/zinc/51/00/65/331510065.db2.gz PKVKATIPTVSXOA-LSDHHAIUSA-N 0 0 301.336 3.693 10 0 DHAERN Clc1ccc(OCCc2nc(Cc3ccccc3)no2)cc1 ZINC000109491450 331581122 /nfs/dbraw/zinc/58/11/22/331581122.db2.gz GVNQOVKDSZZGST-UHFFFAOYSA-N 0 0 314.772 3.935 10 0 DHAERN COCC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076999592 331957153 /nfs/dbraw/zinc/95/71/53/331957153.db2.gz BBULYJVWCYCRTF-RBUKOAKNSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130116201 332022714 /nfs/dbraw/zinc/02/27/14/332022714.db2.gz LHQIBGQLLCYWSJ-ZUZCIYMTSA-N 0 0 306.768 3.754 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1COC(F)(F)C(F)(F)F ZINC000091252507 332101905 /nfs/dbraw/zinc/10/19/05/332101905.db2.gz AMNOHYCZUCGVFA-MRVPVSSYSA-N 0 0 319.270 3.558 10 0 DHAERN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1O ZINC000180870416 332142520 /nfs/dbraw/zinc/14/25/20/332142520.db2.gz ZIQSFCBXKPNXRR-OAHLLOKOSA-N 0 0 323.314 3.604 10 0 DHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc2ccccc2c1 ZINC000180864248 332142555 /nfs/dbraw/zinc/14/25/55/332142555.db2.gz PQMDXFWZQOYHTE-QLFBSQMISA-N 0 0 312.413 3.720 10 0 DHAERN Cc1cnc(NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000043384908 332269381 /nfs/dbraw/zinc/26/93/81/332269381.db2.gz ZMKVLPSMCKCONX-RKDXNWHRSA-N 0 0 307.341 3.694 10 0 DHAERN Cc1c(-c2nc(-c3ccc(F)c(F)c3)no2)cnn1C(C)(C)C ZINC000109536912 332281514 /nfs/dbraw/zinc/28/15/14/332281514.db2.gz OPVDDUUYPYMHPK-UHFFFAOYSA-N 0 0 318.327 3.942 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@@H](C)c2ccccc2)cc1OC ZINC000120023980 332381398 /nfs/dbraw/zinc/38/13/98/332381398.db2.gz HSXQFQNHLLBFFN-KBPBESRZSA-N 0 0 313.397 3.685 10 0 DHAERN CCCCCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000154385316 332432479 /nfs/dbraw/zinc/43/24/79/332432479.db2.gz JSLVFXJFIPIFIP-UHFFFAOYSA-N 0 0 317.433 3.543 10 0 DHAERN CC[C@H](C)CN(C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000151025333 332483226 /nfs/dbraw/zinc/48/32/26/332483226.db2.gz UBTKYMMDLXFASZ-ZFWWWQNUSA-N 0 0 304.434 3.976 10 0 DHAERN COC(=O)c1ccc(N[C@@H](C)c2ccc(C)c(F)c2)nc1C ZINC000301815566 332979085 /nfs/dbraw/zinc/97/90/85/332979085.db2.gz DEMWLWFBESJQDY-NSHDSACASA-N 0 0 302.349 3.797 10 0 DHAERN CC(C)c1ccc([C@@H](C)NCc2nsc(N(C)C)n2)cc1 ZINC000178494367 333013540 /nfs/dbraw/zinc/01/35/40/333013540.db2.gz PZGBOFGCNYFFCM-GFCCVEGCSA-N 0 0 304.463 3.578 10 0 DHAERN FC(F)(F)[C@H]1CCCN(Cc2nc(C3CCCC3)no2)C1 ZINC000178571368 333015700 /nfs/dbraw/zinc/01/57/00/333015700.db2.gz IDKIMHVBNZPQRZ-NSHDSACASA-N 0 0 303.328 3.502 10 0 DHAERN Cn1c(Cl)cnc1C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000183128754 333052655 /nfs/dbraw/zinc/05/26/55/333052655.db2.gz SHXAFXSVFOEUKZ-MRXNPFEDSA-N 0 0 303.837 3.877 10 0 DHAERN Cc1occc1CN(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171743188 333053655 /nfs/dbraw/zinc/05/36/55/333053655.db2.gz VLWTZZPHLKUWRY-KBPBESRZSA-N 0 0 305.324 3.628 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N(C)Cc2scnc2C)cc1 ZINC000171758546 333054112 /nfs/dbraw/zinc/05/41/12/333054112.db2.gz KNHNKKHQKPOEDV-LBPRGKRZSA-N 0 0 317.458 3.917 10 0 DHAERN C[C@H](CC(=O)N[C@@H](C)c1cccs1)C(=O)c1cccc(F)c1 ZINC000173660091 333076738 /nfs/dbraw/zinc/07/67/38/333076738.db2.gz IXCOYIWQMZIKHT-NEPJUHHUSA-N 0 0 319.401 3.974 10 0 DHAERN Cn1c(CN(Cc2ccc(F)cc2)C(C)(C)C)nnc1C1CC1 ZINC000177868671 333132758 /nfs/dbraw/zinc/13/27/58/333132758.db2.gz XUWAFXUGQAPREI-UHFFFAOYSA-N 0 0 316.424 3.632 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(O)cc1)[C@H](C)C2 ZINC000181920685 333147492 /nfs/dbraw/zinc/14/74/92/333147492.db2.gz YFZCVWNQNVRVFI-AUUYWEPGSA-N 0 0 324.424 3.776 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C(C)C)nn1C)[C@H](C)C2 ZINC000182207706 333190464 /nfs/dbraw/zinc/19/04/64/333190464.db2.gz IJTHHIBEJZIDJR-FZKQIMNGSA-N 0 0 311.429 3.515 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)NCCc1ccc(Br)cc1 ZINC000386528828 333357215 /nfs/dbraw/zinc/35/72/15/333357215.db2.gz ORWITHPRVILKIG-RISCZKNCSA-N 0 0 310.235 3.544 10 0 DHAERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000188262257 333362403 /nfs/dbraw/zinc/36/24/03/333362403.db2.gz UCFZFQNOHCMILS-RDJZCZTQSA-N 0 0 303.446 3.546 10 0 DHAERN C[C@H]1C[C@@H](Nc2cccc(NS(C)(=O)=O)c2)CC(C)(C)C1 ZINC000021515213 333423601 /nfs/dbraw/zinc/42/36/01/333423601.db2.gz GDIZSCRCSGBDDX-SWLSCSKDSA-N 0 0 310.463 3.685 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)co1 ZINC000187206166 333426486 /nfs/dbraw/zinc/42/64/86/333426486.db2.gz YDOIWPJTPFHEKW-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1cccs1)[C@@H](C)C2 ZINC000182412586 333501400 /nfs/dbraw/zinc/50/14/00/333501400.db2.gz RQEYJAJOAWTDTO-LRDDRELGSA-N 0 0 300.427 3.789 10 0 DHAERN COc1ccc([C@@H](C)C(=O)NCc2ccc(SC)cc2)cc1 ZINC000170964552 334096439 /nfs/dbraw/zinc/09/64/39/334096439.db2.gz GZTFZWXUKFGYBQ-CYBMUJFWSA-N 0 0 315.438 3.837 10 0 DHAERN C[C@@H](NC(=O)NCc1ccoc1)c1ccccc1Br ZINC000049070224 334307229 /nfs/dbraw/zinc/30/72/29/334307229.db2.gz MVBFLIGIBXZFKT-SNVBAGLBSA-N 0 0 323.190 3.603 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000187886702 334334352 /nfs/dbraw/zinc/33/43/52/334334352.db2.gz UKJWCPXHFYIGNA-QMMMGPOBSA-N 0 0 311.790 3.607 10 0 DHAERN Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H]1CCCn2ncnc21 ZINC000164760938 334666059 /nfs/dbraw/zinc/66/60/59/334666059.db2.gz NYYPYRDJBADYLM-ZYHUDNBSSA-N 0 0 319.478 3.526 10 0 DHAERN Cc1ccn(C)c1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000188988885 334880109 /nfs/dbraw/zinc/88/01/09/334880109.db2.gz DMJBBXISZYOIEH-NSHDSACASA-N 0 0 321.218 3.587 10 0 DHAERN CO[C@H](C)CNC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000189270521 334889422 /nfs/dbraw/zinc/88/94/22/334889422.db2.gz SKHIRFSGYJDXFV-LLVKDONJSA-N 0 0 321.323 3.522 10 0 DHAERN CO[C@H](C)CNC(=O)Nc1ccccc1Oc1ccccc1 ZINC000189666915 334905564 /nfs/dbraw/zinc/90/55/64/334905564.db2.gz MFRATXDIEQUWHL-CYBMUJFWSA-N 0 0 300.358 3.635 10 0 DHAERN Cc1ncccc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000113551930 335751606 /nfs/dbraw/zinc/75/16/06/335751606.db2.gz WUSYLIJZYJLXJV-JTQLQIEISA-N 0 0 319.202 3.644 10 0 DHAERN COCCCNC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000054029466 335857016 /nfs/dbraw/zinc/85/70/16/335857016.db2.gz AIZKNOHIKROBDK-OAHLLOKOSA-N 0 0 312.413 3.750 10 0 DHAERN Cc1cc(OCC(=O)N2CCC[C@H]2c2ccco2)ccc1Cl ZINC000116041243 335874225 /nfs/dbraw/zinc/87/42/25/335874225.db2.gz DXDWVCVWJDRNJG-HNNXBMFYSA-N 0 0 319.788 3.984 10 0 DHAERN C[C@H]1CN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCCO1 ZINC000179185913 335948750 /nfs/dbraw/zinc/94/87/50/335948750.db2.gz LBDQSVMFSIBYTL-WMLDXEAASA-N 0 0 316.445 3.521 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccoc2Cl)C12CCCC2 ZINC000192318509 336031176 /nfs/dbraw/zinc/03/11/76/336031176.db2.gz MWFSZEPQKPDTEP-STQMWFEESA-N 0 0 311.809 3.743 10 0 DHAERN CC(C)[C@@H]1CCO[C@@H]1c1nc(CO[C@H]2CCCC[C@@H]2C)no1 ZINC000329720969 336070083 /nfs/dbraw/zinc/07/00/83/336070083.db2.gz BVPXDQBQBJPAFE-YXWQFLTLSA-N 0 0 308.422 3.899 10 0 DHAERN CC(C)[C@@H]1CCO[C@@H]1c1nc(CO[C@@H]2CCCC[C@@H]2C)no1 ZINC000329720964 336070089 /nfs/dbraw/zinc/07/00/89/336070089.db2.gz BVPXDQBQBJPAFE-AYDFFVQHSA-N 0 0 308.422 3.899 10 0 DHAERN CC(C)[C@@H]1CCO[C@@H]1c1nc(CO[C@@H]2CCCC[C@H]2C)no1 ZINC000329720966 336070183 /nfs/dbraw/zinc/07/01/83/336070183.db2.gz BVPXDQBQBJPAFE-CTASWTNQSA-N 0 0 308.422 3.899 10 0 DHAERN C[C@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000330222368 336126242 /nfs/dbraw/zinc/12/62/42/336126242.db2.gz RTVPHUXYWVRKTC-CYBMUJFWSA-N 0 0 312.417 3.913 10 0 DHAERN O=C(Nc1ccc2ccoc2c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000333296553 336201237 /nfs/dbraw/zinc/20/12/37/336201237.db2.gz GRZCPLRNDJGCBS-KSSFIOAISA-N 0 0 314.385 3.592 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000103360769 336240260 /nfs/dbraw/zinc/24/02/60/336240260.db2.gz HHDIILQSWMLTLC-GUYCJALGSA-N 0 0 317.816 3.828 10 0 DHAERN C[C@@H](NC(=O)N(C)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000103505789 336242125 /nfs/dbraw/zinc/24/21/25/336242125.db2.gz LHAKWCOJCDRCAX-SSDOTTSWSA-N 0 0 311.159 3.961 10 0 DHAERN CC(C)[C@@H](NC(=O)N[C@@H](C)C(C)C)c1nc2ccccc2[nH]1 ZINC000043067600 336244943 /nfs/dbraw/zinc/24/49/43/336244943.db2.gz SFYXIQSLMRZIQF-SWLSCSKDSA-N 0 0 302.422 3.604 10 0 DHAERN CC[C@@H](NC(=O)c1ccc(Br)c(F)c1)C(C)C ZINC000043581383 336266995 /nfs/dbraw/zinc/26/69/95/336266995.db2.gz MTQISODXGLKCPH-GFCCVEGCSA-N 0 0 302.187 3.753 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)C1CC1)c1ccccc1Br ZINC000043632496 336269478 /nfs/dbraw/zinc/26/94/78/336269478.db2.gz JCRSFJMOFKDBSK-VHSXEESVSA-N 0 0 311.223 3.608 10 0 DHAERN COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000043721409 336271340 /nfs/dbraw/zinc/27/13/40/336271340.db2.gz YFSNOJISOFNPHG-VXGBXAGGSA-N 0 0 320.364 3.857 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)CCO1 ZINC000182594488 336274244 /nfs/dbraw/zinc/27/42/44/336274244.db2.gz AMHWJTXKPOHZFC-YSMXEIBASA-N 0 0 305.462 3.523 10 0 DHAERN Cc1cc(F)c(Br)cc1N[C@@H]1CCOC[C@H]1C ZINC000192867513 336276113 /nfs/dbraw/zinc/27/61/13/336276113.db2.gz IWOYDAJKADMFNI-BXKDBHETSA-N 0 0 302.187 3.734 10 0 DHAERN O[C@@H]1CCC[C@@H](Nc2ccnc3c(Br)cccc23)C1 ZINC000301148670 336292205 /nfs/dbraw/zinc/29/22/05/336292205.db2.gz CALGAMQHRTXHGS-GHMZBOCLSA-N 0 0 321.218 3.713 10 0 DHAERN O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)C1CCCC1 ZINC000301288078 336298902 /nfs/dbraw/zinc/29/89/02/336298902.db2.gz NQOPUUGTCGCBEH-NSHDSACASA-N 0 0 308.731 3.717 10 0 DHAERN c1cc(-c2nc3c(c(N(CC4CC4)CC4CC4)n2)CCC3)ccn1 ZINC000301306266 336300020 /nfs/dbraw/zinc/30/00/20/336300020.db2.gz UWHSVBWYANBONU-UHFFFAOYSA-N 0 0 320.440 3.654 10 0 DHAERN C[C@@H]1C[C@H]1[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 ZINC000301307802 336300135 /nfs/dbraw/zinc/30/01/35/336300135.db2.gz WAOXPZMMLQFJCO-WDBKCZKBSA-N 0 0 315.804 3.643 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000301451596 336307629 /nfs/dbraw/zinc/30/76/29/336307629.db2.gz QHYMTWZGXSMHLE-UONOGXRCSA-N 0 0 317.820 3.546 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301467021 336308591 /nfs/dbraw/zinc/30/85/91/336308591.db2.gz XWITXACYQWQLND-SMDDNHRTSA-N 0 0 311.364 3.531 10 0 DHAERN CSc1ccc(NCc2ccc(-c3cccnc3)cc2)nn1 ZINC000301465167 336308607 /nfs/dbraw/zinc/30/86/07/336308607.db2.gz WSERTOZHRGXBPY-UHFFFAOYSA-N 0 0 308.410 3.873 10 0 DHAERN CCS[C@H]1CC[C@@]1(O)CNc1ccnc2ccc(Cl)cc21 ZINC000301491473 336310151 /nfs/dbraw/zinc/31/01/51/336310151.db2.gz NNZDOOJCSOFNPQ-JKSUJKDBSA-N 0 0 322.861 3.947 10 0 DHAERN CC(C)[C@@H](CO)Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000301558919 336314818 /nfs/dbraw/zinc/31/48/18/336314818.db2.gz OCRWOVVXQZCDMQ-OAHLLOKOSA-N 0 0 313.426 3.787 10 0 DHAERN CCOc1cc(CNc2ncc(Br)cc2C)ccn1 ZINC000301610714 336318202 /nfs/dbraw/zinc/31/82/02/336318202.db2.gz CUJUEFCNRMLTOX-UHFFFAOYSA-N 0 0 322.206 3.558 10 0 DHAERN COC(=O)c1ccc(CNc2nc(-c3ccccc3)cs2)o1 ZINC000301618432 336318630 /nfs/dbraw/zinc/31/86/30/336318630.db2.gz WRVFYTXDTDCTHQ-UHFFFAOYSA-N 0 0 314.366 3.802 10 0 DHAERN Cn1c(CNc2ncnc3sccc32)cc(Cl)c1Cl ZINC000301636946 336319812 /nfs/dbraw/zinc/31/98/12/336319812.db2.gz LFMDEMZDMBTVAO-UHFFFAOYSA-N 0 0 313.213 3.949 10 0 DHAERN Cc1cccc2c(N3CC[C@H](C)[C@@H](n4ccnc4)C3)cc[nH+]c12 ZINC000301663730 336321803 /nfs/dbraw/zinc/32/18/03/336321803.db2.gz KQXVIGWMDQJTGL-KSSFIOAISA-N 0 0 306.413 3.827 10 0 DHAERN C[C@](CO)(Nc1nc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC000301678761 336323020 /nfs/dbraw/zinc/32/30/20/336323020.db2.gz RVNWREPPSHVHOM-HXUWFJFHSA-N 0 0 319.408 3.870 10 0 DHAERN CCc1sc([C@H](C)Nc2cc(C)nc3ncnn32)cc1C ZINC000301765819 336328521 /nfs/dbraw/zinc/32/85/21/336328521.db2.gz GZEXAIMKANNGNZ-NSHDSACASA-N 0 0 301.419 3.538 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000301775872 336328984 /nfs/dbraw/zinc/32/89/84/336328984.db2.gz LGQDCWFYNOEFTM-HZPDHXFCSA-N 0 0 312.417 3.525 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000301781081 336329356 /nfs/dbraw/zinc/32/93/56/336329356.db2.gz NNJYACFLWVBWTG-MNOVXSKESA-N 0 0 307.344 3.937 10 0 DHAERN COCc1cc(N[C@@H]2CC[C@H](SC)C2)nc(C(C)(C)C)n1 ZINC000301795793 336330422 /nfs/dbraw/zinc/33/04/22/336330422.db2.gz PXUQELRITNQAIN-YPMHNXCESA-N 0 0 309.479 3.617 10 0 DHAERN CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000301843170 336333609 /nfs/dbraw/zinc/33/36/09/336333609.db2.gz KLJUWKIDHLOZQE-LSDHHAIUSA-N 0 0 317.364 3.778 10 0 DHAERN CSc1ccc(N(C)Cc2cccc(OC(C)C)c2)nn1 ZINC000301874694 336335485 /nfs/dbraw/zinc/33/54/85/336335485.db2.gz XVJUQRJTXLXKKW-UHFFFAOYSA-N 0 0 303.431 3.622 10 0 DHAERN C[C@@H](Nc1nccn2c1nnc2C1CC1)c1ccc(Cl)cc1 ZINC000302225126 336354855 /nfs/dbraw/zinc/35/48/55/336354855.db2.gz VDTUEFTWZFDLBI-SNVBAGLBSA-N 0 0 313.792 3.828 10 0 DHAERN CCOc1cc(N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)ncn1 ZINC000302268661 336356474 /nfs/dbraw/zinc/35/64/74/336356474.db2.gz GLWJVDOMAWBYHB-GXTWGEPZSA-N 0 0 301.390 3.754 10 0 DHAERN O[C@@H](CNc1ccnc2c(F)cc(F)cc12)Cc1ccccc1 ZINC000302508968 336360338 /nfs/dbraw/zinc/36/03/38/336360338.db2.gz NOEOHVUODXAXPO-CQSZACIVSA-N 0 0 314.335 3.529 10 0 DHAERN C[C@H]1C[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302510249 336360512 /nfs/dbraw/zinc/36/05/12/336360512.db2.gz NWGRINLGQHWJMB-KWQFWETISA-N 0 0 304.806 3.932 10 0 DHAERN CC(C)(C)[C@H]1CCC[C@H](Nc2nn3c(nccc3=O)s2)CC1 ZINC000302569082 336361915 /nfs/dbraw/zinc/36/19/15/336361915.db2.gz XYYZZMSLJIVCOX-RYUDHWBXSA-N 0 0 320.462 3.558 10 0 DHAERN Cc1cc2c(ccnc2N2CCC[C@H]2c2noc(C(C)C)n2)o1 ZINC000302698157 336365402 /nfs/dbraw/zinc/36/54/02/336365402.db2.gz AMHACBOQNWCXDN-ZDUSSCGKSA-N 0 0 312.373 3.984 10 0 DHAERN CCOC(=O)C1(CNc2nc3cc(F)ccc3o2)CCCC1 ZINC000302698793 336365501 /nfs/dbraw/zinc/36/55/01/336365501.db2.gz FEOSTXYJORJMMP-UHFFFAOYSA-N 0 0 306.337 3.502 10 0 DHAERN FC(F)(F)c1ccc2sc(=NOC[C@H]3CCOC3)[nH]c2c1 ZINC000302752742 336367798 /nfs/dbraw/zinc/36/77/98/336367798.db2.gz HNHDGJXQEBYFPP-QMMMGPOBSA-N 0 0 318.320 3.695 10 0 DHAERN CCc1ccc([C@H]2CCCCN2c2nc(CCOC)ns2)o1 ZINC000302824095 336370784 /nfs/dbraw/zinc/37/07/84/336370784.db2.gz LMXMZVQKGBBSHI-CYBMUJFWSA-N 0 0 321.446 3.614 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)CCC(C)C ZINC000114582188 336607286 /nfs/dbraw/zinc/60/72/86/336607286.db2.gz SWFHIOVJMVWING-BBRMVZONSA-N 0 0 320.481 3.708 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116479328 336840553 /nfs/dbraw/zinc/84/05/53/336840553.db2.gz ZENISDVZPOJGOM-HNNXBMFYSA-N 0 0 313.357 3.607 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000117257152 336853656 /nfs/dbraw/zinc/85/36/56/336853656.db2.gz VJYJVTBGZMFLIR-UONOGXRCSA-N 0 0 310.463 3.650 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H](C)C1 ZINC000119229420 336883288 /nfs/dbraw/zinc/88/32/88/336883288.db2.gz DXHSOTNNZCCBAM-RCBQFDQVSA-N 0 0 303.450 3.527 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c(C)n1 ZINC000168546452 336885385 /nfs/dbraw/zinc/88/53/85/336885385.db2.gz XKQJWIQCHBNUQI-HNNXBMFYSA-N 0 0 322.330 3.602 10 0 DHAERN CC1(C)C[C@H](NC(=O)c2cc(F)ccc2F)c2ccccc2O1 ZINC000121461591 336954792 /nfs/dbraw/zinc/95/47/92/336954792.db2.gz JPCIBMANFAPLLS-HNNXBMFYSA-N 0 0 317.335 3.997 10 0 DHAERN CC1(C)C[C@@H](NC(=O)c2cccc(F)c2F)c2ccccc2O1 ZINC000121912114 336986346 /nfs/dbraw/zinc/98/63/46/336986346.db2.gz NXGMPYUAMGBHHV-CQSZACIVSA-N 0 0 317.335 3.997 10 0 DHAERN CC1(C)C[C@@H](NC(=O)Nc2ccc(F)cn2)c2ccccc2O1 ZINC000122317366 337004251 /nfs/dbraw/zinc/00/42/51/337004251.db2.gz KWGQVGZSCCIJHJ-CYBMUJFWSA-N 0 0 315.348 3.645 10 0 DHAERN CC(C)c1nnc(CN2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000171091517 337086617 /nfs/dbraw/zinc/08/66/17/337086617.db2.gz VJLBSNYUCPDMCR-QGZVFWFLSA-N 0 0 312.461 3.708 10 0 DHAERN C[C@H]1CN(Cc2cn3cc(Cl)cc(Cl)c3n2)CCS1 ZINC000171686604 337088576 /nfs/dbraw/zinc/08/85/76/337088576.db2.gz OWRWJACOLRLKIC-VIFPVBQESA-N 0 0 316.257 3.578 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)C2CCCC2)cc1OC ZINC000172181371 337090295 /nfs/dbraw/zinc/09/02/95/337090295.db2.gz YENSNTKYPBTLKM-STQMWFEESA-N 0 0 320.433 3.643 10 0 DHAERN CCC1CCC(NC(=O)c2cnc(-c3ccncc3)s2)CC1 ZINC000172748311 337130738 /nfs/dbraw/zinc/13/07/38/337130738.db2.gz LZLMSBOFGCMZBT-UHFFFAOYSA-N 0 0 315.442 3.904 10 0 DHAERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172789136 337131029 /nfs/dbraw/zinc/13/10/29/337131029.db2.gz WHLVQVCQOPEPOA-ZWKOTPCHSA-N 0 0 307.478 3.866 10 0 DHAERN Cc1nc(C[C@H]2CCCN(C(=O)C3CCCCCCC3)C2)no1 ZINC000172832131 337131380 /nfs/dbraw/zinc/13/13/80/337131380.db2.gz XDRXHZKCKCBXKK-OAHLLOKOSA-N 0 0 319.449 3.520 10 0 DHAERN CCc1cnc(NC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)s1 ZINC000173058253 337131801 /nfs/dbraw/zinc/13/18/01/337131801.db2.gz CFVDFYSZECMECC-CABCVRRESA-N 0 0 316.426 3.812 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@H]1CCCc2ccccc21 ZINC000173046840 337133340 /nfs/dbraw/zinc/13/33/40/337133340.db2.gz PAQJFXAMFPYOPF-KRWDZBQOSA-N 0 0 301.336 3.701 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000173406999 337135066 /nfs/dbraw/zinc/13/50/66/337135066.db2.gz PXTASIDGEXLMDB-ZDUSSCGKSA-N 0 0 304.390 3.610 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 ZINC000173420238 337135167 /nfs/dbraw/zinc/13/51/67/337135167.db2.gz ZKNKQCWKCIVKSP-CQSZACIVSA-N 0 0 320.483 3.852 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC000173416267 337135255 /nfs/dbraw/zinc/13/52/55/337135255.db2.gz LLJMZPUAFOISMN-CQSZACIVSA-N 0 0 318.417 3.919 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)no1 ZINC000173437865 337135365 /nfs/dbraw/zinc/13/53/65/337135365.db2.gz KBLPXNCBHURLTJ-AUECHBEKSA-N 0 0 311.385 3.570 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCc3cccs3)C2)n1 ZINC000173475167 337135447 /nfs/dbraw/zinc/13/54/47/337135447.db2.gz MRQKWZOWNQMURR-GFCCVEGCSA-N 0 0 321.471 3.602 10 0 DHAERN Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@H]1c1ccco1)C2 ZINC000173509263 337136180 /nfs/dbraw/zinc/13/61/80/337136180.db2.gz KGULYLFWVHGZIK-YJBOKZPZSA-N 0 0 311.381 3.564 10 0 DHAERN C[C@@H](N[C@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627597 337136995 /nfs/dbraw/zinc/13/69/95/337136995.db2.gz HKCFKYBAQIVAFM-GHMZBOCLSA-N 0 0 322.815 3.819 10 0 DHAERN Cn1ccc2ccc(NC(=O)N[C@H]3CCOc4ccccc43)cc21 ZINC000173803509 337138290 /nfs/dbraw/zinc/13/82/90/337138290.db2.gz LJWUDZYHWSWLGZ-INIZCTEOSA-N 0 0 321.380 3.824 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175994958 337149934 /nfs/dbraw/zinc/14/99/34/337149934.db2.gz LYSTWQCUAXQKPL-KRWDZBQOSA-N 0 0 320.481 3.664 10 0 DHAERN CCCCCCC(=O)N1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000176408403 337151104 /nfs/dbraw/zinc/15/11/04/337151104.db2.gz RBXXOWRNCPHNIC-OAHLLOKOSA-N 0 0 318.465 3.638 10 0 DHAERN Cc1ccc(/C=C/CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000176642033 337152515 /nfs/dbraw/zinc/15/25/15/337152515.db2.gz XMTSJXKYMFXBHS-SHCNBLLESA-N 0 0 309.413 3.875 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000177198652 337154645 /nfs/dbraw/zinc/15/46/45/337154645.db2.gz HVXHKZGVSQDULE-QGZVFWFLSA-N 0 0 303.450 3.543 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCCC1CCCC1 ZINC000177223465 337154807 /nfs/dbraw/zinc/15/48/07/337154807.db2.gz KALTUOHYLCMBPM-KRWDZBQOSA-N 0 0 303.450 3.543 10 0 DHAERN CC(C)CC[C@H](C)NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177341916 337156907 /nfs/dbraw/zinc/15/69/07/337156907.db2.gz CIACHBPKVTUAJP-UONOGXRCSA-N 0 0 322.453 3.864 10 0 DHAERN CCC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177557978 337157861 /nfs/dbraw/zinc/15/78/61/337157861.db2.gz NWTYQZMBNPWUIW-HZPDHXFCSA-N 0 0 318.465 3.616 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)O1 ZINC000178022198 337159792 /nfs/dbraw/zinc/15/97/92/337159792.db2.gz DNUGDDPYCFYLPD-BVGQSLNGSA-N 0 0 313.372 3.599 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000178356713 337164045 /nfs/dbraw/zinc/16/40/45/337164045.db2.gz NLESFXQQUVYIFA-CQSZACIVSA-N 0 0 305.736 3.733 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(F)c(Br)c2)o1 ZINC000220925109 337167122 /nfs/dbraw/zinc/16/71/22/337167122.db2.gz HAILQCWFKLNRDG-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178885961 337167303 /nfs/dbraw/zinc/16/73/03/337167303.db2.gz ZSBUGFPQJCPANQ-HZPDHXFCSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)c1 ZINC000178886456 337167342 /nfs/dbraw/zinc/16/73/42/337167342.db2.gz VZENPVZYVIJLIF-HOTGVXAUSA-N 0 0 303.450 3.571 10 0 DHAERN O=C(Oc1ccccc1-c1nnco1)[C@H]1C[C@H]1C1CCCCC1 ZINC000179796688 337171715 /nfs/dbraw/zinc/17/17/15/337171715.db2.gz WKXFKKRTHMHPHT-GJZGRUSLSA-N 0 0 312.369 3.858 10 0 DHAERN Cc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000179973305 337172940 /nfs/dbraw/zinc/17/29/40/337172940.db2.gz KJEVFMQRVCDQAE-CRAIPNDOSA-N 0 0 309.409 3.814 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000180940629 337178858 /nfs/dbraw/zinc/17/88/58/337178858.db2.gz CMUINHQLFWZHQD-QGZVFWFLSA-N 0 0 305.466 3.728 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnn(CC(C)C)c2)o1 ZINC000181074771 337179614 /nfs/dbraw/zinc/17/96/14/337179614.db2.gz ANJBMSNKFYOZIO-INIZCTEOSA-N 0 0 315.417 3.808 10 0 DHAERN Clc1cnc(CN2CCO[C@@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182051346 337185820 /nfs/dbraw/zinc/18/58/20/337185820.db2.gz ZKOHSRFCDYEYOY-UONOGXRCSA-N 0 0 301.217 3.532 10 0 DHAERN C[C@@H]1C[C@H](C(=O)NCc2nc3ccccc3n2C)CC(C)(C)C1 ZINC000182638538 337189268 /nfs/dbraw/zinc/18/92/68/337189268.db2.gz JKXGGWNHPNGIGV-KGLIPLIRSA-N 0 0 313.445 3.652 10 0 DHAERN Clc1cnc(CN2CCCC[C@@H]2c2cn[nH]c2)c(Cl)c1 ZINC000182663780 337189289 /nfs/dbraw/zinc/18/92/89/337189289.db2.gz HUGQQXIVGOOTDM-CQSZACIVSA-N 0 0 311.216 3.839 10 0 DHAERN CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000182790324 337189828 /nfs/dbraw/zinc/18/98/28/337189828.db2.gz KNZWXWDCXVGZJF-CZUORRHYSA-N 0 0 316.445 3.724 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)CC(C)(C)C1 ZINC000182897363 337190556 /nfs/dbraw/zinc/19/05/56/337190556.db2.gz HSEHOJZPZYHPIZ-JQWIXIFHSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@H](NC(=O)Nc1ccncc1F)c1ccc(F)cc1Cl ZINC000184206458 337196783 /nfs/dbraw/zinc/19/67/83/337196783.db2.gz ITVIUFMKJNNIQQ-QMMMGPOBSA-N 0 0 311.719 3.896 10 0 DHAERN CCCc1cnc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000184065467 337197071 /nfs/dbraw/zinc/19/70/71/337197071.db2.gz KGKDPVIMGFCANB-ZDUSSCGKSA-N 0 0 319.434 3.578 10 0 DHAERN Cc1nccn1CCCN(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000184249975 337197577 /nfs/dbraw/zinc/19/75/77/337197577.db2.gz SXRXAGLVIYLDIK-GOEBONIOSA-N 0 0 305.466 3.502 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000184276408 337197692 /nfs/dbraw/zinc/19/76/92/337197692.db2.gz RZOZFVGLYPYFEK-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2cc(C)ccc2Br)o1 ZINC000226613094 337199883 /nfs/dbraw/zinc/19/98/83/337199883.db2.gz SUHWEGZNTNNOJH-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3c(C)oc4ccccc43)C2)c1 ZINC000185528927 337248732 /nfs/dbraw/zinc/24/87/32/337248732.db2.gz GLJYYBQYEUGSPM-OAHLLOKOSA-N 0 0 323.396 3.723 10 0 DHAERN COC1(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCCCC1 ZINC000185714639 337250802 /nfs/dbraw/zinc/25/08/02/337250802.db2.gz LLQWIILMBKDGTI-OAHLLOKOSA-N 0 0 317.429 3.754 10 0 DHAERN CC(C)(C)OCc1cc(C(=O)N2CCC[C@H]2c2ccco2)no1 ZINC000185905348 337251437 /nfs/dbraw/zinc/25/14/37/337251437.db2.gz MCBYGDPIBDZNEB-AWEZNQCLSA-N 0 0 318.373 3.560 10 0 DHAERN Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[C@@H]1c1ccco1)CO2 ZINC000185905085 337251475 /nfs/dbraw/zinc/25/14/75/337251475.db2.gz PLIFHDHOPWOLSM-HZPDHXFCSA-N 0 0 311.381 3.736 10 0 DHAERN Cc1ccc(C)c2c1CCC[C@@H]2N[C@@H](C)c1nnc2n1CCCC2 ZINC000186180531 337254134 /nfs/dbraw/zinc/25/41/34/337254134.db2.gz SGOCWYUSUWQBFC-RDJZCZTQSA-N 0 0 324.472 3.959 10 0 DHAERN Cc1ccc(C)c2c1CCC[C@H]2N[C@H](C)c1nnc2n1CCCC2 ZINC000186180585 337254196 /nfs/dbraw/zinc/25/41/96/337254196.db2.gz SGOCWYUSUWQBFC-NVXWUHKLSA-N 0 0 324.472 3.959 10 0 DHAERN COc1ccc(-c2ccncc2)cc1-c1nc2cc[nH]cc-2n1 ZINC000186834924 337259944 /nfs/dbraw/zinc/25/99/44/337259944.db2.gz XSUYTELVCLFFDL-UHFFFAOYSA-N 0 0 302.337 3.696 10 0 DHAERN Cc1ccc(CN(C(=O)[C@@H]2CCCO[C@@H]2C)C2CC2)cc1C ZINC000187997579 337270842 /nfs/dbraw/zinc/27/08/42/337270842.db2.gz DVMUQACLYAKERN-CRAIPNDOSA-N 0 0 301.430 3.610 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000188135646 337271099 /nfs/dbraw/zinc/27/10/99/337271099.db2.gz BTTBHHWCJLPXPZ-BLLLJJGKSA-N 0 0 307.821 3.646 10 0 DHAERN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@@H]1c1ccco1 ZINC000189033565 337276521 /nfs/dbraw/zinc/27/65/21/337276521.db2.gz BDOKTGDMJKJCOC-SECBINFHSA-N 0 0 316.304 3.732 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(Br)c(C)c2)o1 ZINC000231525787 337277278 /nfs/dbraw/zinc/27/72/78/337277278.db2.gz OIPHQSDWGORLJP-LLVKDONJSA-N 0 0 309.207 3.905 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCCc2ccccc21 ZINC000190305090 337286553 /nfs/dbraw/zinc/28/65/53/337286553.db2.gz JAGYTGIAQBEVEG-CJNGLKHVSA-N 0 0 304.459 3.601 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000190558011 337288834 /nfs/dbraw/zinc/28/88/34/337288834.db2.gz TZWQNZNAPIEQHF-PWSUYJOCSA-N 0 0 316.228 3.767 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000191732032 337299649 /nfs/dbraw/zinc/29/96/49/337299649.db2.gz YGHGFCALKJICCU-JTQLQIEISA-N 0 0 301.839 3.974 10 0 DHAERN CC1(C)C[C@@H](NC(=O)c2ccoc2Cl)c2ccccc2O1 ZINC000192340629 337304528 /nfs/dbraw/zinc/30/45/28/337304528.db2.gz QOSQZMONXFHDOE-GFCCVEGCSA-N 0 0 305.761 3.965 10 0 DHAERN Cc1ccc(N2C(=O)N[C@H](c3ccc(Cl)cc3)C2=O)s1 ZINC000192414046 337305280 /nfs/dbraw/zinc/30/52/80/337305280.db2.gz LHCPVVUDMRTFQN-GFCCVEGCSA-N 0 0 306.774 3.507 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccn1C)c1cccs1 ZINC000193190276 337310074 /nfs/dbraw/zinc/31/00/74/337310074.db2.gz NRMJJVYOZCMMOH-TZMCWYRMSA-N 0 0 303.431 3.694 10 0 DHAERN C[C@@H]1C=C2C[C@@H](O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12 ZINC000584602460 337371005 /nfs/dbraw/zinc/37/10/05/337371005.db2.gz KVQLOUAAIRZUCG-SRVJNQFMSA-N 0 0 304.474 3.917 10 0 DHAERN FC1(F)Oc2cc3ncc(-c4ccncc4Cl)nc3cc2O1 ZINC000584615326 337372840 /nfs/dbraw/zinc/37/28/40/337372840.db2.gz WXWYFNXIMMKEFX-UHFFFAOYSA-N 0 0 321.670 3.667 10 0 DHAERN CCOC(=O)[C@H](c1ccc(C)cc1)P(=O)(OCC)OCC ZINC000584595528 337373883 /nfs/dbraw/zinc/37/38/83/337373883.db2.gz DPLHZJODZRIRIA-AWEZNQCLSA-N 0 0 314.318 3.865 10 0 DHAERN CCOC(=O)[C@@H](c1ccccc1F)P(=O)(OCC)OCC ZINC000584595574 337374087 /nfs/dbraw/zinc/37/40/87/337374087.db2.gz MQHFFDMMEHLZFG-CYBMUJFWSA-N 0 0 318.281 3.696 10 0 DHAERN CCc1cc(N)ccc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000584620855 337374820 /nfs/dbraw/zinc/37/48/20/337374820.db2.gz GNLMUOBRTDOQID-UHFFFAOYSA-N 0 0 304.434 3.946 10 0 DHAERN O=C1[C@@H](c2ccc(F)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1 ZINC000584629467 337376402 /nfs/dbraw/zinc/37/64/02/337376402.db2.gz HIHIYBBZHNELCO-GOSISDBHSA-N 0 0 321.355 3.736 10 0 DHAERN COC(=O)c1cc(Cl)c(OCc2cccc(Cl)c2)cn1 ZINC000584630133 337376790 /nfs/dbraw/zinc/37/67/90/337376790.db2.gz YMBWMZSQHNIJSJ-UHFFFAOYSA-N 0 0 312.152 3.754 10 0 DHAERN C1=Cc2c(ccc3c2ccc2c3C=CC3(C=2)SCCS3)=C1 ZINC000584648849 337380338 /nfs/dbraw/zinc/38/03/38/337380338.db2.gz QLDLVEZNNSYMMB-UHFFFAOYSA-N 0 0 306.455 3.631 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CC1=CCCCC1 ZINC000106774329 337387260 /nfs/dbraw/zinc/38/72/60/337387260.db2.gz PGNIZBFGJIXLFZ-MRXNPFEDSA-N 0 0 301.434 3.591 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000028413459 337388269 /nfs/dbraw/zinc/38/82/69/337388269.db2.gz NAXBHHGGSYJGBS-IUODEOHRSA-N 0 0 316.426 3.502 10 0 DHAERN O=C(CCCC1CCCCC1)N1CCO[C@H](c2nccs2)C1 ZINC000110874297 337389300 /nfs/dbraw/zinc/38/93/00/337389300.db2.gz GKPHHJPQDHMIIK-HNNXBMFYSA-N 0 0 322.474 3.794 10 0 DHAERN COc1cc(OC)cc(C(=O)N2CC=C(c3ccccc3)CC2)c1 ZINC000031107640 337390832 /nfs/dbraw/zinc/39/08/32/337390832.db2.gz IHOGYPNUYIIKJU-UHFFFAOYSA-N 0 0 323.392 3.633 10 0 DHAERN CC(C)(C)c1ncc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000113887182 337391317 /nfs/dbraw/zinc/39/13/17/337391317.db2.gz BZEKBLWQPCZUBD-GFCCVEGCSA-N 0 0 318.446 3.531 10 0 DHAERN O=C(C1C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113891377 337391320 /nfs/dbraw/zinc/39/13/20/337391320.db2.gz BYEKYJAREBUTDY-IWZRMPOGSA-N 0 0 313.445 3.536 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(C)c1 ZINC000114511329 337391557 /nfs/dbraw/zinc/39/15/57/337391557.db2.gz WSULDEWIFDUHDO-INIZCTEOSA-N 0 0 312.417 3.714 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000114511255 337391620 /nfs/dbraw/zinc/39/16/20/337391620.db2.gz MWYVWQCSLKZNEF-HNNXBMFYSA-N 0 0 316.380 3.545 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C=C1CCC(C)CC1 ZINC000114688409 337391689 /nfs/dbraw/zinc/39/16/89/337391689.db2.gz GBBLQLVWIWNBEJ-RUINGEJQSA-N 0 0 315.461 3.837 10 0 DHAERN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@H]1c1ccco1 ZINC000116047314 337392238 /nfs/dbraw/zinc/39/22/38/337392238.db2.gz GPYNNEXXJREVBF-INIZCTEOSA-N 0 0 319.364 3.714 10 0 DHAERN CCCCCC[C@@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116116607 337392324 /nfs/dbraw/zinc/39/23/24/337392324.db2.gz WQOSBKHXECTBDU-CVEARBPZSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116212661 337392496 /nfs/dbraw/zinc/39/24/96/337392496.db2.gz WVWVUEODVNLLJL-SNVBAGLBSA-N 0 0 308.428 3.613 10 0 DHAERN Cc1cc(N2CCC[C@@H]2c2ccco2)nc(-c2ccncc2)n1 ZINC000116263035 337392598 /nfs/dbraw/zinc/39/25/98/337392598.db2.gz CYLXPVDRYNRGQR-OAHLLOKOSA-N 0 0 306.369 3.782 10 0 DHAERN O=C(NCc1cccc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000116412530 337392727 /nfs/dbraw/zinc/39/27/27/337392727.db2.gz PGGVKNSJMKFLNO-AWEZNQCLSA-N 0 0 304.777 3.980 10 0 DHAERN COc1cc(CNC(=O)N2CCC[C@H]2c2ccco2)ccc1C ZINC000116536322 337392802 /nfs/dbraw/zinc/39/28/02/337392802.db2.gz OXCRSUIHGHBXOP-HNNXBMFYSA-N 0 0 314.385 3.643 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000117142761 337393124 /nfs/dbraw/zinc/39/31/24/337393124.db2.gz DJLBPPUZFPLRAR-HZPDHXFCSA-N 0 0 321.465 3.766 10 0 DHAERN C[C@H](Cc1ccccc1F)NC(=O)N[C@H](C)c1cccs1 ZINC000054621873 337394502 /nfs/dbraw/zinc/39/45/02/337394502.db2.gz NQEWCFTVGHKDMO-VXGBXAGGSA-N 0 0 306.406 3.879 10 0 DHAERN CCCCC[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000119737938 337394968 /nfs/dbraw/zinc/39/49/68/337394968.db2.gz JDWLTIBEEDWLEQ-INIZCTEOSA-N 0 0 305.466 3.968 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccnc(C)c3)C2)n1 ZINC000119918569 337395182 /nfs/dbraw/zinc/39/51/82/337395182.db2.gz ZHIJDBBVAYTBDI-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1ccccc1F ZINC000041566953 337403103 /nfs/dbraw/zinc/40/31/03/337403103.db2.gz SVARYSYCLQQGMI-GOSISDBHSA-N 0 0 324.330 3.879 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(Br)c2)o1 ZINC000042238897 337406370 /nfs/dbraw/zinc/40/63/70/337406370.db2.gz XMGROLSLTJMYMM-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN CC(C)n1nccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000043451083 337411420 /nfs/dbraw/zinc/41/14/20/337411420.db2.gz LMOYHRSCRUWOKJ-UHFFFAOYSA-N 0 0 310.401 3.785 10 0 DHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000125625784 337413001 /nfs/dbraw/zinc/41/30/01/337413001.db2.gz ODGCWOGOROGYPM-UHFFFAOYSA-N 0 0 324.211 3.736 10 0 DHAERN CCC[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000125611129 337413075 /nfs/dbraw/zinc/41/30/75/337413075.db2.gz ZYMZYIFNNDGCPJ-KRWDZBQOSA-N 0 0 311.429 3.700 10 0 DHAERN O=C(N1CCC(c2cc[nH]n2)CC1)C1(c2ccccc2)CCCC1 ZINC000125803715 337413941 /nfs/dbraw/zinc/41/39/41/337413941.db2.gz VBLBMYUWPMBUGG-UHFFFAOYSA-N 0 0 323.440 3.628 10 0 DHAERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892302 337434918 /nfs/dbraw/zinc/43/49/18/337434918.db2.gz XXFKVMFKIINOHR-XHDPSFHLSA-N 0 0 320.387 3.695 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cnc(C2CCCC2)s1 ZINC000131493848 337437923 /nfs/dbraw/zinc/43/79/23/337437923.db2.gz BVKNDFSZYADCTF-LBPRGKRZSA-N 0 0 324.490 3.963 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1c(Cl)ccc(F)c1Cl ZINC000133767396 337446518 /nfs/dbraw/zinc/44/65/18/337446518.db2.gz RBVOJRVZYWBBQB-VHSKPIJISA-N 0 0 320.191 3.877 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(SC)o2)C12CCCC2 ZINC000134126028 337447784 /nfs/dbraw/zinc/44/77/84/337447784.db2.gz IKBBVFSYLOIKOW-KBPBESRZSA-N 0 0 323.458 3.811 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000194051051 337461484 /nfs/dbraw/zinc/46/14/84/337461484.db2.gz HASNOAKANOWURJ-JKSUJKDBSA-N 0 0 317.477 3.917 10 0 DHAERN CCn1c(C)nnc1CSc1ccccc1Br ZINC000194683830 337463129 /nfs/dbraw/zinc/46/31/29/337463129.db2.gz CCFHWWCCHXIJGN-UHFFFAOYSA-N 0 0 312.236 3.661 10 0 DHAERN CCCCn1c(C)c(C)nc1SCc1nnc(C)n1CC ZINC000194689396 337463163 /nfs/dbraw/zinc/46/31/63/337463163.db2.gz PVKAJAUMDIQONA-UHFFFAOYSA-N 0 0 307.467 3.512 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000194862633 337464030 /nfs/dbraw/zinc/46/40/30/337464030.db2.gz LXNUVOLCDVRGAN-CYBMUJFWSA-N 0 0 308.164 3.857 10 0 DHAERN Cn1c(CNc2ccc3c(c2)Cc2ccccc2-3)nnc1C1CC1 ZINC000194990075 337464537 /nfs/dbraw/zinc/46/45/37/337464537.db2.gz NBZGETWQUNENRU-UHFFFAOYSA-N 0 0 316.408 3.876 10 0 DHAERN CCOc1ccccc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195375183 337466320 /nfs/dbraw/zinc/46/63/20/337466320.db2.gz NXWKFDYFEOWUSI-OAHLLOKOSA-N 0 0 315.417 3.929 10 0 DHAERN C[C@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1cccs1 ZINC000195263656 337467517 /nfs/dbraw/zinc/46/75/17/337467517.db2.gz LXYQODMRZJMPHE-ZDUSSCGKSA-N 0 0 322.474 3.942 10 0 DHAERN Cc1c(Cl)cccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000195310126 337467612 /nfs/dbraw/zinc/46/76/12/337467612.db2.gz KRFGEZLDEINIRZ-HNNXBMFYSA-N 0 0 301.773 3.902 10 0 DHAERN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@H](C)c1nnc2n1CCCC2 ZINC000245503378 337473057 /nfs/dbraw/zinc/47/30/57/337473057.db2.gz HYKDMQQRWRVOQK-FMKPAKJESA-N 0 0 310.445 3.822 10 0 DHAERN Cc1cccc2c1[C@H](C)C[C@H]2N[C@H](C)c1nnc2n1CCCC2 ZINC000245503380 337473101 /nfs/dbraw/zinc/47/31/01/337473101.db2.gz HYKDMQQRWRVOQK-IIAWOOMASA-N 0 0 310.445 3.822 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3s2)O1 ZINC000246124289 337510842 /nfs/dbraw/zinc/51/08/42/337510842.db2.gz YXKMZFOSZBNFCL-KWCYVHTRSA-N 0 0 316.426 3.527 10 0 DHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000246614662 337554013 /nfs/dbraw/zinc/55/40/13/337554013.db2.gz VCCPESWDTNSKTA-GUTXKFCHSA-N 0 0 302.418 3.871 10 0 DHAERN C[C@@H]1CC[C@H](CC(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)C1 ZINC000247569138 337560493 /nfs/dbraw/zinc/56/04/93/337560493.db2.gz LGSJCXARCVOILM-UGUYLWEFSA-N 0 0 305.418 3.520 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248528021 337564331 /nfs/dbraw/zinc/56/43/31/337564331.db2.gz DHBNWXABEKVEEH-TYNCELHUSA-N 0 0 306.450 3.801 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCCO[C@H]2C)C1 ZINC000249393133 337570268 /nfs/dbraw/zinc/57/02/68/337570268.db2.gz GGZKKYMTRSYFNH-LISAXSMJSA-N 0 0 301.430 3.515 10 0 DHAERN C[C@]1(C(=O)N2CC[C@@H](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000076507881 337570580 /nfs/dbraw/zinc/57/05/80/337570580.db2.gz KSUBPMPRFSTGPK-DZGCQCFKSA-N 0 0 312.240 3.662 10 0 DHAERN COc1ccc(C)cc1CCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000077687857 337583874 /nfs/dbraw/zinc/58/38/74/337583874.db2.gz XSXFFROUSYAJLF-AWEZNQCLSA-N 0 0 316.401 3.508 10 0 DHAERN C[C@H](C(=O)N[C@@H]1c2ccccc2CCC1(C)C)C1CCOCC1 ZINC000161542750 337591977 /nfs/dbraw/zinc/59/19/77/337591977.db2.gz NBLBHZKIVFIDNR-KBXCAEBGSA-N 0 0 315.457 3.879 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000078186838 337592195 /nfs/dbraw/zinc/59/21/95/337592195.db2.gz HWYKGLATIAHUCI-XJKSGUPXSA-N 0 0 313.372 3.853 10 0 DHAERN CCc1cccc(NC(=O)CN2CCCNc3ccccc32)c1 ZINC000261701299 337608830 /nfs/dbraw/zinc/60/88/30/337608830.db2.gz KCSZFIMNMSQWBK-UHFFFAOYSA-N 0 0 309.413 3.510 10 0 DHAERN CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263032829 337623383 /nfs/dbraw/zinc/62/33/83/337623383.db2.gz HMLJLCLYOUOXAK-DJIMGWMZSA-N 0 0 307.409 3.798 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)[C@H]2SCCc3sccc32)o1 ZINC000079547611 337623797 /nfs/dbraw/zinc/62/37/97/337623797.db2.gz SLDRPRVUOYHEFS-YGRLFVJLSA-N 0 0 307.440 3.857 10 0 DHAERN C[C@@H](Cc1cccc(Cl)c1)[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263413481 337628328 /nfs/dbraw/zinc/62/83/28/337628328.db2.gz MFWFDBWUPSLKDC-GUYCJALGSA-N 0 0 317.816 3.557 10 0 DHAERN CCC[C@@H]([NH2+][C@H](C)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263439245 337629027 /nfs/dbraw/zinc/62/90/27/337629027.db2.gz VVHZKQIMFLMVHN-NOZJJQNGSA-N 0 0 320.216 3.604 10 0 DHAERN O=C([O-])CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000263510800 337630819 /nfs/dbraw/zinc/63/08/19/337630819.db2.gz NIWVQRXJFZKMEA-PKOBYXMFSA-N 0 0 309.409 3.740 10 0 DHAERN CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081584794 337725958 /nfs/dbraw/zinc/72/59/58/337725958.db2.gz YAGKVIVOHXSHIE-HOTGVXAUSA-N 0 0 318.465 3.534 10 0 DHAERN COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1N ZINC000036269760 337746996 /nfs/dbraw/zinc/74/69/96/337746996.db2.gz PDVNWKYNYPLROG-UHFFFAOYSA-N 0 0 311.168 3.837 10 0 DHAERN COc1ccc([C@H](C)NC(=O)c2cc(C)c(C)s2)cc1OC ZINC000045382062 337821519 /nfs/dbraw/zinc/82/15/19/337821519.db2.gz JABFRKCAQYGGIR-NSHDSACASA-N 0 0 319.426 3.873 10 0 DHAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccoc1 ZINC000045835689 337829147 /nfs/dbraw/zinc/82/91/47/337829147.db2.gz KCYOXVNAUQTULM-SECBINFHSA-N 0 0 314.168 3.670 10 0 DHAERN CCOCCN(CC)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000107826231 337831998 /nfs/dbraw/zinc/83/19/98/337831998.db2.gz CTFOPOYJCABWII-HNNXBMFYSA-N 0 0 314.429 3.969 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(OCC2CC2)cc1 ZINC000055128587 337845559 /nfs/dbraw/zinc/84/55/59/337845559.db2.gz JKDPUTRDGFMGHO-SFHVURJKSA-N 0 0 323.392 3.729 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccs1 ZINC000056839112 337852545 /nfs/dbraw/zinc/85/25/45/337852545.db2.gz SUSZWGVKONHCSG-HZMBPMFUSA-N 0 0 304.390 3.935 10 0 DHAERN Cc1cc(F)ccc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000119156418 337854696 /nfs/dbraw/zinc/85/46/96/337854696.db2.gz GUHAJXANSTZHBC-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN CC[C@H](CCO)CNC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000119308849 337857267 /nfs/dbraw/zinc/85/72/67/337857267.db2.gz BARDOVSLVYJAJT-LSDHHAIUSA-N 0 0 320.477 3.753 10 0 DHAERN COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1F ZINC000119480428 337860941 /nfs/dbraw/zinc/86/09/41/337860941.db2.gz ZITFHUCWCJIERN-LBPRGKRZSA-N 0 0 319.351 3.702 10 0 DHAERN CC[C@@H](CSC)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000091204695 337890682 /nfs/dbraw/zinc/89/06/82/337890682.db2.gz SBOOEVFOLKGEPA-HOCLYGCPSA-N 0 0 306.475 3.847 10 0 DHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000084166968 338001142 /nfs/dbraw/zinc/00/11/42/338001142.db2.gz SZOPDNRSLOVPAO-GHMZBOCLSA-N 0 0 313.850 3.701 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)C(C)(C)CC(C)C)cc1OC ZINC000084524148 338003149 /nfs/dbraw/zinc/00/31/49/338003149.db2.gz ZSPCJPWUUKGULY-CYBMUJFWSA-N 0 0 307.434 3.953 10 0 DHAERN C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000152526225 338206594 /nfs/dbraw/zinc/20/65/94/338206594.db2.gz PWKDYXQUBFFTPJ-FSPWUOQZSA-N 0 0 301.430 3.656 10 0 DHAERN Fc1cccc(CN[C@H]2COc3ccccc32)c1Br ZINC000156762470 338383182 /nfs/dbraw/zinc/38/31/82/338383182.db2.gz LGRCEOQCYYDBAW-ZDUSSCGKSA-N 0 0 322.177 3.812 10 0 DHAERN COC(=O)c1c(C)n([C@H](C)C2CCOCC2)c2ccccc21 ZINC000504398546 340147015 /nfs/dbraw/zinc/14/70/15/340147015.db2.gz LMFZMOMECMANKG-GFCCVEGCSA-N 0 0 301.386 3.724 10 0 DHAERN CC(C)(C)[C@H](O)COc1ccc(Cl)cc1Br ZINC000302832648 340283344 /nfs/dbraw/zinc/28/33/44/340283344.db2.gz JWLMHGPLFHOBAV-LLVKDONJSA-N 0 0 307.615 3.888 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000172955651 340350027 /nfs/dbraw/zinc/35/00/27/340350027.db2.gz JXCCNXJLEXEZGG-CQSZACIVSA-N 0 0 309.365 3.768 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Cc1ccccc1Cl ZINC000172959627 340350240 /nfs/dbraw/zinc/35/02/40/340350240.db2.gz QZSUVLSXRXNBCP-CQSZACIVSA-N 0 0 317.816 3.604 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Cc1cccc(Cl)c1 ZINC000172974464 340350886 /nfs/dbraw/zinc/35/08/86/340350886.db2.gz USJWOLVZZPNFQT-CQSZACIVSA-N 0 0 317.816 3.604 10 0 DHAERN CCCCOc1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 ZINC000176518667 340428060 /nfs/dbraw/zinc/42/80/60/340428060.db2.gz SHUYEGDHGCPTPF-YOEHRIQHSA-N 0 0 320.433 3.538 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2oc(C)cc2C)C12CCCC2 ZINC000176855168 340432969 /nfs/dbraw/zinc/43/29/69/340432969.db2.gz HMSDRLRXBZMPHH-LSDHHAIUSA-N 0 0 305.418 3.706 10 0 DHAERN C[C@H](N[C@H]1CCc2c1cccc2Cl)c1nnc2n1CCCC2 ZINC000178075501 340446669 /nfs/dbraw/zinc/44/66/69/340446669.db2.gz AIWNLJYSOYBDBS-NHYWBVRUSA-N 0 0 316.836 3.606 10 0 DHAERN CCOc1cccc(CCNC(=O)N[C@H](C)c2cccs2)c1 ZINC000178840981 340452349 /nfs/dbraw/zinc/45/23/49/340452349.db2.gz GKNZWMCULFDTMF-CYBMUJFWSA-N 0 0 318.442 3.750 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N(CCCO)CC(C)(C)C)cc1F ZINC000088785935 340463271 /nfs/dbraw/zinc/46/32/71/340463271.db2.gz AAIQMVFKLOIPQI-AWEZNQCLSA-N 0 0 324.440 3.635 10 0 DHAERN Cc1cccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)c1 ZINC000007914404 340473047 /nfs/dbraw/zinc/47/30/47/340473047.db2.gz ZVNWSCBOLGWAMO-SFHVURJKSA-N 0 0 324.424 3.697 10 0 DHAERN CCSCc1cc(C(=O)N[C@H]2CCCc3ccccc32)no1 ZINC000184641664 340494693 /nfs/dbraw/zinc/49/46/93/340494693.db2.gz JDSZGQNLFWBTLL-HNNXBMFYSA-N 0 0 316.426 3.735 10 0 DHAERN O=C(CCc1cccc2c1OCO2)N[C@H]1CCCc2ccccc21 ZINC000184641779 340494709 /nfs/dbraw/zinc/49/47/09/340494709.db2.gz GNQVUFSKAXRYGL-KRWDZBQOSA-N 0 0 323.392 3.542 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCSCC[C@H]2C)cc1F ZINC000189529099 340537277 /nfs/dbraw/zinc/53/72/77/340537277.db2.gz HXDBKCBYYXNYOV-OLZOCXBDSA-N 0 0 310.438 3.732 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000191605391 340556457 /nfs/dbraw/zinc/55/64/57/340556457.db2.gz IXNQXWGQGGLDBA-LPHOPBHVSA-N 0 0 315.457 3.673 10 0 DHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191697418 340557868 /nfs/dbraw/zinc/55/78/68/340557868.db2.gz NDINTUMEJQSDPF-BBRMVZONSA-N 0 0 309.837 3.892 10 0 DHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccoc1Cl ZINC000192341946 340566273 /nfs/dbraw/zinc/56/62/73/340566273.db2.gz KNFPSHMSZCYRSO-NSHDSACASA-N 0 0 317.694 3.836 10 0 DHAERN C[C@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)CCS1 ZINC000192425365 340566943 /nfs/dbraw/zinc/56/69/43/340566943.db2.gz DAMHVCOKFGVOHO-BBRMVZONSA-N 0 0 304.459 3.601 10 0 DHAERN CC(C)Oc1ccccc1CC(=O)N[C@H](C)c1cccs1 ZINC000195215818 340576253 /nfs/dbraw/zinc/57/62/53/340576253.db2.gz MYCHGORWQBDOKJ-CYBMUJFWSA-N 0 0 303.427 3.955 10 0 DHAERN CCc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000194020994 340588102 /nfs/dbraw/zinc/58/81/02/340588102.db2.gz VNNZXXLBQIFEDW-UONOGXRCSA-N 0 0 300.402 3.828 10 0 DHAERN C[C@@H](NC(=O)Cc1cccc(Br)c1)c1cccs1 ZINC000194770282 340595853 /nfs/dbraw/zinc/59/58/53/340595853.db2.gz SZKLLSAEDXRZLN-SNVBAGLBSA-N 0 0 324.243 3.931 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(F)c(Br)c1 ZINC000231691534 340625287 /nfs/dbraw/zinc/62/52/87/340625287.db2.gz UYTAUNQAQIYWLR-QPUJVOFHSA-N 0 0 300.171 3.507 10 0 DHAERN Cc1nc(N[C@@H]2COc3ccccc32)ccc1Br ZINC000236001652 340662135 /nfs/dbraw/zinc/66/21/35/340662135.db2.gz DPYGYUZUEWVRDV-GFCCVEGCSA-N 0 0 305.175 3.698 10 0 DHAERN C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000125151952 340802539 /nfs/dbraw/zinc/80/25/39/340802539.db2.gz ASBGOQVCSFQIEQ-UFBFGSQYSA-N 0 0 321.726 3.656 10 0 DHAERN C[C@H]1CN(Cc2ccc(OC(F)F)c(Cl)c2)C[C@H](C)O1 ZINC000126927721 340839813 /nfs/dbraw/zinc/83/98/13/340839813.db2.gz OQHJHFTYWXGTHZ-UWVGGRQHSA-N 0 0 305.752 3.551 10 0 DHAERN COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)ccn1 ZINC000128242894 340862583 /nfs/dbraw/zinc/86/25/83/340862583.db2.gz QCKOQUYOXKBDHL-MSOLQXFVSA-N 0 0 324.424 3.634 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2 ZINC000071214780 341025785 /nfs/dbraw/zinc/02/57/85/341025785.db2.gz ANEBEQJPNSIEKK-UHFFFAOYSA-N 0 0 300.789 3.879 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(C)c1Br ZINC000131172568 341063704 /nfs/dbraw/zinc/06/37/04/341063704.db2.gz VPHPAUMLFRZGAC-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)NCCc2cscn2)c2ccccc21 ZINC000131531725 341094449 /nfs/dbraw/zinc/09/44/49/341094449.db2.gz KFWMJXFLDQQXBO-LRDDRELGSA-N 0 0 315.442 3.623 10 0 DHAERN C[C@@H](NC(=O)NCC(F)F)c1ccc(-c2ccccc2)cc1 ZINC000073487908 341117351 /nfs/dbraw/zinc/11/73/51/341117351.db2.gz JCJCSRDBKXXHOD-GFCCVEGCSA-N 0 0 304.340 3.979 10 0 DHAERN CC(C)c1nc(C2(NC(=O)C[C@H]3CC[C@@H](C)C3)CCCC2)no1 ZINC000133348159 341173446 /nfs/dbraw/zinc/17/34/46/341173446.db2.gz WCLGJCKKXPEJQQ-KGLIPLIRSA-N 0 0 319.449 3.905 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCc2cccc(O)c2)cc1 ZINC000077001673 341216841 /nfs/dbraw/zinc/21/68/41/341216841.db2.gz YNYYKOZUGVBUTQ-OALUTQOASA-N 0 0 309.409 3.936 10 0 DHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000077002868 341216855 /nfs/dbraw/zinc/21/68/55/341216855.db2.gz KZAVPJBCUZJTGT-YOEHRIQHSA-N 0 0 318.461 3.866 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000134632016 341220340 /nfs/dbraw/zinc/22/03/40/341220340.db2.gz WZNNECYNYFQZQN-SZMVWBNQSA-N 0 0 316.445 3.717 10 0 DHAERN Cc1c(C(=O)NC[C@H]2CCCC[C@H]2O)sc2cccc(F)c12 ZINC000077207567 341220444 /nfs/dbraw/zinc/22/04/44/341220444.db2.gz PJNVGLRYBYJUFE-DGCLKSJQSA-N 0 0 321.417 3.630 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000136712882 341265752 /nfs/dbraw/zinc/26/57/52/341265752.db2.gz WNTPNCNATTVSOG-LIRRHRJNSA-N 0 0 309.409 3.740 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)o1 ZINC000081229516 341282430 /nfs/dbraw/zinc/28/24/30/341282430.db2.gz YWARHJSIYFRAPC-GFCCVEGCSA-N 0 0 300.402 3.981 10 0 DHAERN CC[C@H](C)Sc1ccc(NC(=O)[C@H]2C[C@H]2C(=O)OC)c(C)c1 ZINC000245395638 341290837 /nfs/dbraw/zinc/29/08/37/341290837.db2.gz IHMCGFGCUMOMJQ-FPMFFAJLSA-N 0 0 321.442 3.633 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1csc2ccccc12 ZINC000081449686 341291250 /nfs/dbraw/zinc/29/12/50/341291250.db2.gz PXXZAOYQOUFYAB-NSHDSACASA-N 0 0 319.426 3.704 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1c(F)cccc1Cl ZINC000081511193 341294241 /nfs/dbraw/zinc/29/42/41/341294241.db2.gz PRMFJVZXFHXASA-VHSXEESVSA-N 0 0 316.829 3.687 10 0 DHAERN Fc1cccc(N2CCCC2)c1CN1CCO[C@H]2CCCC[C@H]21 ZINC000245545901 341300940 /nfs/dbraw/zinc/30/09/40/341300940.db2.gz UPZGOEGZWOFNQL-MOPGFXCFSA-N 0 0 318.436 3.569 10 0 DHAERN C[C@@H]1CC(NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C[C@@H](C)O1 ZINC000245557698 341301745 /nfs/dbraw/zinc/30/17/45/341301745.db2.gz AXZQCGPBRVMSJY-HNSFDTNUSA-N 0 0 316.445 3.880 10 0 DHAERN CC[C@H](CSC)N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245586889 341303477 /nfs/dbraw/zinc/30/34/77/341303477.db2.gz JPYGFGPNDJPOJZ-AGIUHOORSA-N 0 0 313.413 3.668 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2CCO)c2ccccc21 ZINC000245871904 341316892 /nfs/dbraw/zinc/31/68/92/341316892.db2.gz JOPGABFQHRWJPS-VKJFTORMSA-N 0 0 316.445 3.572 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@H]2CCSC2)cc1 ZINC000245894889 341317480 /nfs/dbraw/zinc/31/74/80/341317480.db2.gz KCGBDACKKLLANV-ULQDDVLXSA-N 0 0 303.471 3.877 10 0 DHAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000245900318 341317742 /nfs/dbraw/zinc/31/77/42/341317742.db2.gz DORRNHBCAWJICK-RRFJBIMHSA-N 0 0 312.413 3.720 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)n1C ZINC000245943261 341319134 /nfs/dbraw/zinc/31/91/34/341319134.db2.gz VIGMIBWPHDYQPV-HYSWKAIVSA-N 0 0 318.852 3.518 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)c1cccs1 ZINC000246175564 341331547 /nfs/dbraw/zinc/33/15/47/341331547.db2.gz IHDGTRHMSKRYIE-WGHIXYSZSA-N 0 0 312.438 3.837 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000246419042 341348262 /nfs/dbraw/zinc/34/82/62/341348262.db2.gz AKTRQONXVCOXOF-UTRMSSBJSA-N 0 0 315.457 3.581 10 0 DHAERN CCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000246881319 341358178 /nfs/dbraw/zinc/35/81/78/341358178.db2.gz DATUDKDRWGFORI-BJLQDIEVSA-N 0 0 315.457 3.724 10 0 DHAERN CO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000247086555 341360881 /nfs/dbraw/zinc/36/08/81/341360881.db2.gz UBWKSMJXKQRLQL-KURKYZTESA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247538969 341367154 /nfs/dbraw/zinc/36/71/54/341367154.db2.gz PWKDYXQUBFFTPJ-BVGQSLNGSA-N 0 0 301.430 3.656 10 0 DHAERN CC[C@H](C)[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000248556927 341379847 /nfs/dbraw/zinc/37/98/47/341379847.db2.gz LSVVKZVKYKGBGU-SGMGOOAPSA-N 0 0 301.352 3.958 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248568460 341380160 /nfs/dbraw/zinc/38/01/60/341380160.db2.gz NUTOWBZNBMDYKZ-AAVRWANBSA-N 0 0 321.383 3.819 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000248830925 341388114 /nfs/dbraw/zinc/38/81/14/341388114.db2.gz IFSXLPNHVINSKU-FFZOFVMBSA-N 0 0 323.436 3.902 10 0 DHAERN CCOC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249318294 341396425 /nfs/dbraw/zinc/39/64/25/341396425.db2.gz PGGIGAKONKVFFK-KGLIPLIRSA-N 0 0 315.335 3.565 10 0 DHAERN CC[C@](C)(O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372841 341396739 /nfs/dbraw/zinc/39/67/39/341396739.db2.gz NQTKUFMSKOMFLQ-CABCVRRESA-N 0 0 318.244 3.528 10 0 DHAERN C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CCCc3cc(F)ccc32)O1 ZINC000153285644 341533485 /nfs/dbraw/zinc/53/34/85/341533485.db2.gz IEDZJMKGTRQAJY-ISTRZQFTSA-N 0 0 305.393 3.667 10 0 DHAERN COc1ccc([C@@H](NC(=O)N[C@H](C)C(C)C)C(F)(F)F)cc1 ZINC000155020997 341600272 /nfs/dbraw/zinc/60/02/72/341600272.db2.gz NAVVVHZCRAOMPI-ZWNOBZJWSA-N 0 0 318.339 3.642 10 0 DHAERN CCCn1nccc1NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157327645 341636433 /nfs/dbraw/zinc/63/64/33/341636433.db2.gz OFVHPKDCZONRAA-HNNXBMFYSA-N 0 0 316.380 3.631 10 0 DHAERN Cc1cccc(C)c1CCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000164479006 341705668 /nfs/dbraw/zinc/70/56/68/341705668.db2.gz NEKHDHXITXVUGF-QGZVFWFLSA-N 0 0 312.413 3.986 10 0 DHAERN COCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000171208094 341773915 /nfs/dbraw/zinc/77/39/15/341773915.db2.gz IVOMSUNEXAFUIQ-UWVGGRQHSA-N 0 0 319.232 3.779 10 0 DHAERN CCCOc1cc(C)ccc1NC(=O)N1CCS[C@@H](C)C1 ZINC000171375532 341776409 /nfs/dbraw/zinc/77/64/09/341776409.db2.gz XAEFBXUZOUIVIK-ZDUSSCGKSA-N 0 0 308.447 3.753 10 0 DHAERN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1C ZINC000171521495 341779184 /nfs/dbraw/zinc/77/91/84/341779184.db2.gz ZFAPYTXTPLSZHN-NSHDSACASA-N 0 0 318.398 3.726 10 0 DHAERN COC[C@H](C)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000163206685 522542933 /nfs/dbraw/zinc/54/29/33/522542933.db2.gz FMDUXGZOKOFUOB-CABZTGNLSA-N 0 0 323.742 3.684 10 0 DHAERN CC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109083724 518441261 /nfs/dbraw/zinc/44/12/61/518441261.db2.gz MOZVYRXYDVFUBQ-LSDHHAIUSA-N 0 0 315.319 3.910 10 0 DHAERN CC(C)(C)c1nc(CN2CCCc3c(N)cccc32)cs1 ZINC000037906168 519095950 /nfs/dbraw/zinc/09/59/50/519095950.db2.gz JRLWDMZSKPMFRC-UHFFFAOYSA-N 0 0 301.459 3.976 10 0 DHAERN CC(C)NC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182149936 519714264 /nfs/dbraw/zinc/71/42/64/519714264.db2.gz UNPDOIYEQDTHNA-TZMCWYRMSA-N 0 0 316.228 3.986 10 0 DHAERN CC(C)NC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182149967 519714471 /nfs/dbraw/zinc/71/44/71/519714471.db2.gz UNPDOIYEQDTHNA-OCCSQVGLSA-N 0 0 316.228 3.986 10 0 DHAERN CC(=O)Nc1ccc(CN2CCCC[C@H]2c2nccs2)cc1 ZINC000127665370 519716460 /nfs/dbraw/zinc/71/64/60/519716460.db2.gz AYOKHSHRLKCWJC-INIZCTEOSA-N 0 0 315.442 3.829 10 0 DHAERN CC(=O)Nc1ccc(Cl)cc1NCc1nccn1C(C)C ZINC000124274155 519719510 /nfs/dbraw/zinc/71/95/10/519719510.db2.gz LNGQMTWHSFUHDX-UHFFFAOYSA-N 0 0 306.797 3.688 10 0 DHAERN CC(C)CNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173921112 519736133 /nfs/dbraw/zinc/73/61/33/519736133.db2.gz AMYSMMMVHQFISS-CYBMUJFWSA-N 0 0 309.479 3.812 10 0 DHAERN CCC1CCC(NC(=O)Cc2nc(-c3ccco3)oc2C)CC1 ZINC000121623696 519854802 /nfs/dbraw/zinc/85/48/02/519854802.db2.gz FZHOVEYGZYKMSE-UHFFFAOYSA-N 0 0 316.401 3.871 10 0 DHAERN CCC1CCC(NC(=O)Nc2ccccc2C[S@](C)=O)CC1 ZINC000184264388 519855565 /nfs/dbraw/zinc/85/55/65/519855565.db2.gz IDNLJJCPISZMJD-IAQXUPPSSA-N 0 0 322.474 3.655 10 0 DHAERN CCN(C(=O)C1CCC(C(=O)OC)CC1)c1ccc(C)cc1C ZINC000180148368 519900220 /nfs/dbraw/zinc/90/02/20/519900220.db2.gz OVNISZBMLMWCTB-UHFFFAOYSA-N 0 0 317.429 3.636 10 0 DHAERN CCN(C(=O)N[C@H](Cc1ccccc1)C(F)(F)F)C(C)C ZINC000122578336 519987035 /nfs/dbraw/zinc/98/70/35/519987035.db2.gz DPKDATTZLAPFTP-CYBMUJFWSA-N 0 0 302.340 3.600 10 0 DHAERN CC(C)n1ccnc1C[S@](=O)CCCc1ccccc1Cl ZINC000181434659 520033714 /nfs/dbraw/zinc/03/37/14/520033714.db2.gz NNHCVNXFFVSKEP-OAQYLSRUSA-N 0 0 324.877 3.999 10 0 DHAERN CCOCc1cccc(N[C@@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000186466442 520206753 /nfs/dbraw/zinc/20/67/53/520206753.db2.gz SNSKEWJTCVIIJV-QZTJIDSGSA-N 0 0 319.445 3.609 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173297412 520299367 /nfs/dbraw/zinc/29/93/67/520299367.db2.gz JSHKVWUGDWECEH-UONOGXRCSA-N 0 0 310.463 3.650 10 0 DHAERN CCC[C@H](CC)NC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000174415216 521075319 /nfs/dbraw/zinc/07/53/19/521075319.db2.gz VWJAKUTZVUNMLG-KBPBESRZSA-N 0 0 309.479 3.919 10 0 DHAERN CCOc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000180587316 521083772 /nfs/dbraw/zinc/08/37/72/521083772.db2.gz CAKAMRCVIHIXPX-INIZCTEOSA-N 0 0 314.389 3.568 10 0 DHAERN CCOC(=O)[C@@H](c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000057353602 521088784 /nfs/dbraw/zinc/08/87/84/521088784.db2.gz AGJHBWNGVXNNII-MRXNPFEDSA-N 0 0 322.364 3.740 10 0 DHAERN CCOc1ccccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180602949 521538115 /nfs/dbraw/zinc/53/81/15/521538115.db2.gz CVTDMSWUYJUJSJ-OAHLLOKOSA-N 0 0 314.389 3.568 10 0 DHAERN CCCn1c(C)nnc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180746605 521625088 /nfs/dbraw/zinc/62/50/88/521625088.db2.gz UQCNCMNAEWGSDD-JTQLQIEISA-N 0 0 310.804 3.640 10 0 DHAERN COCCc1ccccc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000189466812 522021025 /nfs/dbraw/zinc/02/10/25/522021025.db2.gz VZWIEEDHSVXPOY-ZDUSSCGKSA-N 0 0 302.374 3.660 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000103359904 522178324 /nfs/dbraw/zinc/17/83/24/522178324.db2.gz KRMMYULXPWRDRA-GFCCVEGCSA-N 0 0 304.415 3.648 10 0 DHAERN CCc1nc(C2(NCc3ccc(F)c(Cl)c3)CCCC2)no1 ZINC000161579835 522243114 /nfs/dbraw/zinc/24/31/14/522243114.db2.gz LSSSGTSSZIZWPW-UHFFFAOYSA-N 0 0 323.799 3.984 10 0 DHAERN CCc1nc(CNC(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000107754986 522332311 /nfs/dbraw/zinc/33/23/11/522332311.db2.gz OQMKUIITHRMHFO-LBPRGKRZSA-N 0 0 303.431 3.574 10 0 DHAERN COc1cc(CN2CCCC[C@@H]2c2nccs2)cc(OC)c1 ZINC000127669413 522372762 /nfs/dbraw/zinc/37/27/62/522372762.db2.gz JAJZVVPRZDTLML-MRXNPFEDSA-N 0 0 318.442 3.888 10 0 DHAERN COC[C@H](C)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000103362738 522547396 /nfs/dbraw/zinc/54/73/96/522547396.db2.gz APIBYJQCEHSPIR-NHYWBVRUSA-N 0 0 321.467 3.566 10 0 DHAERN CC[C@H](NCc1nnc(C(C)C)n1C)c1cccc(Cl)c1 ZINC000182600752 522673817 /nfs/dbraw/zinc/67/38/17/522673817.db2.gz XFJNTASTYKJRHK-AWEZNQCLSA-N 0 0 306.841 3.833 10 0 DHAERN CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880042 522718062 /nfs/dbraw/zinc/71/80/62/522718062.db2.gz FPMIAJLWGRXPSU-UONOGXRCSA-N 0 0 322.815 3.955 10 0 DHAERN CCc1nnc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127841823 522734378 /nfs/dbraw/zinc/73/43/78/522734378.db2.gz VVPCUPHXEZWCKN-LBPRGKRZSA-N 0 0 320.462 3.592 10 0 DHAERN CCc1nnc(CNC2(c3cccc(Cl)c3)CCCC2)n1C ZINC000181459968 522741004 /nfs/dbraw/zinc/74/10/04/522741004.db2.gz RYVUZJRBKIEBDZ-UHFFFAOYSA-N 0 0 318.852 3.590 10 0 DHAERN CCc1nnc(CN[C@H](c2ccccc2F)C2CCCC2)n1C ZINC000181493603 522747464 /nfs/dbraw/zinc/74/74/64/522747464.db2.gz QCKQDKYVVCDHPC-SFHVURJKSA-N 0 0 316.424 3.538 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(F)cc2)C2CCCC2)n1C ZINC000180280442 522748409 /nfs/dbraw/zinc/74/84/09/522748409.db2.gz ROISJMHCHCJQFB-SFHVURJKSA-N 0 0 316.424 3.538 10 0 DHAERN COCCC1(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000164246732 523055892 /nfs/dbraw/zinc/05/58/92/523055892.db2.gz LXQHJLQIISMGMK-ZWKOTPCHSA-N 0 0 315.457 3.846 10 0 DHAERN COC(=O)CCSc1cccc(NC(=O)N[C@H](C)C(C)C)c1 ZINC000164605655 523108818 /nfs/dbraw/zinc/10/88/18/523108818.db2.gz GXRZPMXXNKFIRT-GFCCVEGCSA-N 0 0 324.446 3.508 10 0 DHAERN COCCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130533138 523129119 /nfs/dbraw/zinc/12/91/19/523129119.db2.gz VTDFEWDHZOUTNW-MSOLQXFVSA-N 0 0 303.446 3.846 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000180282512 523156238 /nfs/dbraw/zinc/15/62/38/523156238.db2.gz YBHHFBKRZUHYPX-SFHVURJKSA-N 0 0 316.424 3.767 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccccc1F)C1CCCC1 ZINC000181488215 523157301 /nfs/dbraw/zinc/15/73/01/523157301.db2.gz DWORBNDNKPAZTJ-GOSISDBHSA-N 0 0 316.424 3.767 10 0 DHAERN CCN1C(=S)N=NC1CCCOc1ccc(C(C)(C)C)cc1 ZINC000026469226 523216449 /nfs/dbraw/zinc/21/64/49/523216449.db2.gz PXUOYUGTEIYXMQ-UHFFFAOYSA-N 0 0 319.474 3.896 10 0 DHAERN COCc1noc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000180234466 523263622 /nfs/dbraw/zinc/26/36/22/523263622.db2.gz NPNGFYKIJTXIBQ-AWEZNQCLSA-N 0 0 323.396 3.734 10 0 DHAERN COCc1noc([C@@H](C)N[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007313 523270001 /nfs/dbraw/zinc/27/00/01/523270001.db2.gz DTVWAWUGIYGZMP-ZIAGYGMSSA-N 0 0 317.433 3.826 10 0 DHAERN CN(Cc1cccnc1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000127302925 523413120 /nfs/dbraw/zinc/41/31/20/523413120.db2.gz GAWLUEKZBASOHR-SFHVURJKSA-N 0 0 323.440 3.937 10 0 DHAERN CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)ccc1=O ZINC000129575421 523429442 /nfs/dbraw/zinc/42/94/42/523429442.db2.gz MMSKZLCNGAUZHN-QZTJIDSGSA-N 0 0 324.424 3.734 10 0 DHAERN COCCC[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182589315 523480282 /nfs/dbraw/zinc/48/02/82/523480282.db2.gz WZOFYEYGBQZGNV-QWRGUYRKSA-N 0 0 301.789 3.719 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000181489200 523488097 /nfs/dbraw/zinc/48/80/97/523488097.db2.gz UOUTYMXYXDMRLC-STQMWFEESA-N 0 0 311.385 3.781 10 0 DHAERN CCc1c2ccccc2oc1[C@H](C)N[C@@H]1CCCn2ncnc21 ZINC000181870320 523731060 /nfs/dbraw/zinc/73/10/60/523731060.db2.gz FSBPKWWSVLPIBX-SWLSCSKDSA-N 0 0 310.401 3.772 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCO[C@@H]2C)o1 ZINC000188053076 524035316 /nfs/dbraw/zinc/03/53/16/524035316.db2.gz JVXFQCOHWSFOIB-KBMXLJTQSA-N 0 0 305.418 3.711 10 0 DHAERN CCc1cccc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000188974204 524069409 /nfs/dbraw/zinc/06/94/09/524069409.db2.gz RQKYLHIHSXNDBM-MRXNPFEDSA-N 0 0 302.443 3.587 10 0 DHAERN C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C)NC(=O)Nc1ccccc1 ZINC000119899859 524126604 /nfs/dbraw/zinc/12/66/04/524126604.db2.gz HITPRRVRHKEAHH-ZIAGYGMSSA-N 0 0 319.449 3.528 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(N3CCCCCC3)c2)O1 ZINC000156139545 524336176 /nfs/dbraw/zinc/33/61/76/524336176.db2.gz QHMFGVGGILAGEE-YOEHRIQHSA-N 0 0 302.418 3.573 10 0 DHAERN C[C@@H](CCN1CCO[C@H](c2nccs2)C1)c1ccccc1 ZINC000191073183 524486899 /nfs/dbraw/zinc/48/68/99/524486899.db2.gz WZXZTPBMGDOZSN-HOCLYGCPSA-N 0 0 302.443 3.710 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cccc(CC(F)(F)F)c2)CCS1 ZINC000174326599 524511470 /nfs/dbraw/zinc/51/14/70/524511470.db2.gz WOOGAVFNAFRSEG-JTQLQIEISA-N 0 0 318.364 3.761 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)O1 ZINC000157619264 524557068 /nfs/dbraw/zinc/55/70/68/524557068.db2.gz KZEHKYZPLUEZJG-YSGRDPCXSA-N 0 0 321.420 3.880 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2nc3c(s2)COCC3)CC(C)(C)C1 ZINC000180129922 524771395 /nfs/dbraw/zinc/77/13/95/524771395.db2.gz DFSPKVFNORRFPN-WDEREUQCSA-N 0 0 308.447 3.617 10 0 DHAERN Cc1cccc([C@@H](NC(=O)N[C@H](C)C(C)C)c2ccccn2)c1 ZINC000124582243 524837960 /nfs/dbraw/zinc/83/79/60/524837960.db2.gz FIGBAZQUIOXMTE-CRAIPNDOSA-N 0 0 311.429 3.823 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000160591158 524850949 /nfs/dbraw/zinc/85/09/49/524850949.db2.gz NFAGTDKAEYMONV-WKEGUHRASA-N 0 0 322.124 3.606 10 0 DHAERN C[C@H](NC(=O)N(C)CCC1CCOCC1)c1cccc(Cl)c1 ZINC000119126967 525003105 /nfs/dbraw/zinc/00/31/05/525003105.db2.gz NZAMJUZLFJYQEX-ZDUSSCGKSA-N 0 0 324.852 3.859 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000188005155 525015714 /nfs/dbraw/zinc/01/57/14/525015714.db2.gz JJFRWJTWAPPWJH-CRAIPNDOSA-N 0 0 316.445 3.821 10 0 DHAERN C[C@H](NC(=O)N1CCCC[C@@H]1c1nccs1)C1CCCC1 ZINC000176363193 525018734 /nfs/dbraw/zinc/01/87/34/525018734.db2.gz GLKYEONSHVZTTF-GXTWGEPZSA-N 0 0 307.463 3.958 10 0 DHAERN C[C@H](NC(=O)N1CCc2cc(F)ccc2C1)c1cccs1 ZINC000179566765 525044328 /nfs/dbraw/zinc/04/43/28/525044328.db2.gz JXZMNJWPQRCFRH-NSHDSACASA-N 0 0 304.390 3.716 10 0 DHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccs1 ZINC000177882564 525174017 /nfs/dbraw/zinc/17/40/17/525174017.db2.gz VXIXOXBJJSEDPG-VXGBXAGGSA-N 0 0 322.455 3.654 10 0 DHAERN Cc1ccccc1N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000182532385 525274333 /nfs/dbraw/zinc/27/43/33/525274333.db2.gz YQQPREZVOGEDIV-ZDUSSCGKSA-N 0 0 304.415 3.540 10 0 DHAERN Cc1ccccc1[C@H](C)NCc1nc([C@H](C)OCC(C)C)no1 ZINC000181545327 525418578 /nfs/dbraw/zinc/41/85/78/525418578.db2.gz RBCXDDVHJQAICI-GJZGRUSLSA-N 0 0 317.433 3.962 10 0 DHAERN CSCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000188262470 525424896 /nfs/dbraw/zinc/42/48/96/525424896.db2.gz YEBSNUVBYAYQEO-QWHCGFSZSA-N 0 0 313.413 3.718 10 0 DHAERN Cc1[nH]ccc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129901741 525457033 /nfs/dbraw/zinc/45/70/33/525457033.db2.gz PARBUVABMWFWKP-INIZCTEOSA-N 0 0 310.397 3.890 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000191389828 525559790 /nfs/dbraw/zinc/55/97/90/525559790.db2.gz TXJDFIZNSUGRHO-VHSXEESVSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000190261589 525560099 /nfs/dbraw/zinc/56/00/99/525560099.db2.gz DOVLREMUJGXGPH-WCBMZHEXSA-N 0 0 319.735 3.695 10 0 DHAERN COc1ccc2sc(C(=O)N[C@H](C)[C@@H]3CCCO3)c(C)c2c1 ZINC000172767048 525695652 /nfs/dbraw/zinc/69/56/52/525695652.db2.gz PCIKUNADLURIOH-RISCZKNCSA-N 0 0 319.426 3.516 10 0 DHAERN Cc1ccc(-c2nc(NC(=O)[C@H]3CC[C@@H](C)O3)sc2C)s1 ZINC000152438032 525818334 /nfs/dbraw/zinc/81/83/34/525818334.db2.gz OEQWIFHTAUERGS-LDYMZIIASA-N 0 0 322.455 3.994 10 0 DHAERN C[C@H](O)c1ccc(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000175642627 525854165 /nfs/dbraw/zinc/85/41/65/525854165.db2.gz LDKAMUGOWGMAQT-VHSSKADRSA-N 0 0 301.430 3.573 10 0 DHAERN COc1cccc(CCCn2c3ccccc3nc2[C@H](C)O)c1 ZINC000181498879 525892665 /nfs/dbraw/zinc/89/26/65/525892665.db2.gz XZRGIXTZXPJYOR-AWEZNQCLSA-N 0 0 310.397 3.731 10 0 DHAERN CSc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000151594954 526122617 /nfs/dbraw/zinc/12/26/17/526122617.db2.gz LRRFDVOHNDYLGA-GUYCJALGSA-N 0 0 320.458 3.567 10 0 DHAERN Cc1cnc2ccc(I)cc2c1Cl ZINC000032501176 526171334 /nfs/dbraw/zinc/17/13/34/526171334.db2.gz OQXFCDSVVIFAPN-UHFFFAOYSA-N 0 0 303.530 3.801 10 0 DHAERN Cc1cncc(/C=C/C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000131632042 526174315 /nfs/dbraw/zinc/17/43/15/526174315.db2.gz HIMHUCVOLACCFA-QAMKJQMISA-N 0 0 312.335 3.641 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)C2)c1 ZINC000105857654 526265798 /nfs/dbraw/zinc/26/57/98/526265798.db2.gz BLRDNQVESBODTK-FUHWJXTLSA-N 0 0 311.429 3.549 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CC/C=C/c3ccccc3)C2)c1 ZINC000159197475 526265853 /nfs/dbraw/zinc/26/58/53/526265853.db2.gz AYKRGYBBEFRXDQ-CEQQRPIWSA-N 0 0 323.440 3.849 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224809 526266198 /nfs/dbraw/zinc/26/61/98/526266198.db2.gz YEMRGKIRPFLBFA-OAHLLOKOSA-N 0 0 307.800 3.821 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc4[nH]ccc4c3)C2)c1 ZINC000111746442 526267905 /nfs/dbraw/zinc/26/79/05/526267905.db2.gz BWPMMCJWZCWWPM-INIZCTEOSA-N 0 0 323.400 3.542 10 0 DHAERN FC(F)c1nc2ccccc2c(NCCC2=CCOCC2)n1 ZINC000158047507 526268337 /nfs/dbraw/zinc/26/83/37/526268337.db2.gz NXNVTRRIBWJLSB-UHFFFAOYSA-N 0 0 305.328 3.716 10 0 DHAERN Oc1ccc(-c2nc(COc3ccc(Cl)cc3)no2)cc1 ZINC000040542136 526338785 /nfs/dbraw/zinc/33/87/85/526338785.db2.gz GYDBWKXXYZXPJB-UHFFFAOYSA-N 0 0 302.717 3.675 10 0 DHAERN Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429116 526397473 /nfs/dbraw/zinc/39/74/73/526397473.db2.gz BFFVCVJSGDDYFW-QWHCGFSZSA-N 0 0 303.406 3.825 10 0 DHAERN Cc1noc(C2CC2)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000154074957 526583364 /nfs/dbraw/zinc/58/33/64/526583364.db2.gz WDKFWCYWAMYGNT-RYUDHWBXSA-N 0 0 318.323 3.881 10 0 DHAERN O=C(CCc1ccc(Cl)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113897726 526585291 /nfs/dbraw/zinc/58/52/91/526585291.db2.gz NYLASGLJOHLTGB-ZDUSSCGKSA-N 0 0 323.849 3.811 10 0 DHAERN O=C(NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000156592371 526627160 /nfs/dbraw/zinc/62/71/60/526627160.db2.gz MESMTJLXARQCTM-BXUZGUMPSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(c1ccc(Cl)c(Br)c1)N1C[C@H]2CCC[C@H]21 ZINC000337981169 526671317 /nfs/dbraw/zinc/67/13/17/526671317.db2.gz SYQSDGHFCPZQLH-BXKDBHETSA-N 0 0 314.610 3.727 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2C[C@@H]2c2ccco2)n1 ZINC000299739315 526740965 /nfs/dbraw/zinc/74/09/65/526740965.db2.gz NGOFLATUCIXPTA-FMSGJZPZSA-N 0 0 302.374 3.852 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2C[C@H]2c2cccnc2)o1 ZINC000299744851 526741209 /nfs/dbraw/zinc/74/12/09/526741209.db2.gz UXJXXNQTTUPJQO-AJNGGQMLSA-N 0 0 313.401 3.654 10 0 DHAERN Clc1ccc(SCCN2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000182696068 526959549 /nfs/dbraw/zinc/95/95/49/526959549.db2.gz PUPXWLJLSCFRLL-AWEZNQCLSA-N 0 0 322.865 3.777 10 0 DHAERN O=C(N[C@H](CCCO)c1ccccc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000132582139 526992159 /nfs/dbraw/zinc/99/21/59/526992159.db2.gz PPDMNYHBIZNYIM-CEXWTWQISA-N 0 0 315.457 3.833 10 0 DHAERN Cc1nc2ccccc2n1C(F)(F)[C@H](O)c1ccc(F)cc1 ZINC000057354401 527162113 /nfs/dbraw/zinc/16/21/13/527162113.db2.gz SCMAXNWFWBAULN-OAHLLOKOSA-N 0 0 306.287 3.767 10 0 DHAERN Cc1nc2ccccc2n1C(F)(F)[C@H](O)c1ccccc1F ZINC000057354399 527162204 /nfs/dbraw/zinc/16/22/04/527162204.db2.gz VNQNSDGAZJPWPQ-OAHLLOKOSA-N 0 0 306.287 3.767 10 0 DHAERN Cn1ccc2cccc(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)c21 ZINC000190045878 527376457 /nfs/dbraw/zinc/37/64/57/527376457.db2.gz DDEVKNAVNDNJQP-INIZCTEOSA-N 0 0 323.400 3.661 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)C ZINC000105850915 527661502 /nfs/dbraw/zinc/66/15/02/527661502.db2.gz ISWHZCVECXAEBD-XJKSGUPXSA-N 0 0 305.466 3.773 10 0 DHAERN COc1cccc(/C=C/C(=O)OC(C)(C)C)c1OC(F)F ZINC000405969665 563913001 /nfs/dbraw/zinc/91/30/01/563913001.db2.gz HIQBRSLSJGBZJK-CMDGGOBGSA-N 0 0 300.301 3.652 10 0 DHAERN C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@H]4[C@@H]3CC[C@]21CC ZINC000004820551 560200164 /nfs/dbraw/zinc/20/01/64/560200164.db2.gz WWYNJERNGUHSAO-XHCJJCCMSA-N 0 0 312.453 3.883 10 0 in-vitro DHAERN Nc1ccccc1Oc1cccc(I)c1 ZINC000036904167 563420463 /nfs/dbraw/zinc/42/04/63/563420463.db2.gz WSWQKEAWZATNEB-UHFFFAOYSA-N 0 0 311.122 3.666 10 0 DHAERN Cc1cccc(C)c1[C@H]1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071790520 563501605 /nfs/dbraw/zinc/50/16/05/563501605.db2.gz SHSWKSSSSRERAF-AWEZNQCLSA-N 0 0 303.402 3.597 10 0 DHAERN Cc1cc2[nH]c(-c3ccc(Br)cc3)nc2cc1N ZINC000078400709 563512470 /nfs/dbraw/zinc/51/24/70/563512470.db2.gz RCSXFANCJLOTLD-UHFFFAOYSA-N 0 0 302.175 3.883 10 0 DHAERN O=C(Cc1ccccc1F)c1cc(Br)ccc1O ZINC000095942562 563531706 /nfs/dbraw/zinc/53/17/06/563531706.db2.gz LCEZANJSRRVKPC-UHFFFAOYSA-N 0 0 309.134 3.719 10 0 DHAERN Oc1cc2cccc(Br)c2nc1[C@@H]1CCCOC1 ZINC000725267674 563573907 /nfs/dbraw/zinc/57/39/07/563573907.db2.gz QOESNONOKKVMPA-SNVBAGLBSA-N 0 0 308.175 3.597 10 0 DHAERN CCC(C)(C)c1nc2c(Br)cccc2cc1NN ZINC000725267885 563573990 /nfs/dbraw/zinc/57/39/90/563573990.db2.gz BJTZQJZCJJLRFF-UHFFFAOYSA-N 0 0 308.223 3.971 10 0 DHAERN Cc1nc(C2CC2)oc1-c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000275409695 563626362 /nfs/dbraw/zinc/62/63/62/563626362.db2.gz BOZOBRFERHWEMQ-AAEUAGOBSA-N 0 0 317.389 3.829 10 0 DHAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1ccoc1C ZINC000328631042 563781695 /nfs/dbraw/zinc/78/16/95/563781695.db2.gz QMIWIPNSXNQJDO-LBPRGKRZSA-N 0 0 304.415 3.545 10 0 DHAERN O=C(Nc1c(F)cc(F)cc1Cl)[C@H]1CCC(=O)c2cccn21 ZINC000575603193 563864783 /nfs/dbraw/zinc/86/47/83/563864783.db2.gz NYLPDPHGMHUSOX-GFCCVEGCSA-N 0 0 324.714 3.576 10 0 DHAERN O=C(Nc1c(F)cc(F)cc1Cl)[C@@H]1CCC(=O)c2cccn21 ZINC000575603196 563864865 /nfs/dbraw/zinc/86/48/65/563864865.db2.gz NYLPDPHGMHUSOX-LBPRGKRZSA-N 0 0 324.714 3.576 10 0 DHAERN CCCn1cc(-c2ccncc2)cc1C(=O)N1CCCCCC1 ZINC000075509087 563878339 /nfs/dbraw/zinc/87/83/39/563878339.db2.gz HESVUIHDYWZLBX-UHFFFAOYSA-N 0 0 311.429 3.976 10 0 DHAERN CCN(CC)c1ccc(N)cc1NC(=O)/C=C/c1ccccc1 ZINC000226260440 563913204 /nfs/dbraw/zinc/91/32/04/563913204.db2.gz IMKOPQLAKHFAFI-JLHYYAGUSA-N 0 0 309.413 3.767 10 0 DHAERN Cc1ccccc1C(=O)Nc1cc(N)ccc1N1CCCCC1 ZINC000226254256 563913418 /nfs/dbraw/zinc/91/34/18/563913418.db2.gz JNVLSVWYNIERFY-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254194 563913453 /nfs/dbraw/zinc/91/34/53/563913453.db2.gz WURILGTUCNJEHP-CQSZACIVSA-N 0 0 309.413 3.900 10 0 DHAERN COc1ccc(Cl)cc1C(=O)Nc1ccc([C@H](C)O)cc1 ZINC000226273238 563913619 /nfs/dbraw/zinc/91/36/19/563913619.db2.gz XBHUXWTXACLVLB-JTQLQIEISA-N 0 0 305.761 3.654 10 0 DHAERN Cc1cccc([N+](=O)[O-])c1NC(=O)/C=C/c1ccc(F)cc1 ZINC000048545435 563924004 /nfs/dbraw/zinc/92/40/04/563924004.db2.gz DKKYMVBBLUJUQY-JXMROGBWSA-N 0 0 300.289 3.694 10 0 DHAERN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cc(F)cc(Cl)c1 ZINC000161380669 959182018 /nfs/dbraw/zinc/18/20/18/959182018.db2.gz JCNNHZJMGFLQSE-UHFFFAOYSA-N 0 0 307.752 3.809 10 0 DHAERN CCCC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000233047835 960313426 /nfs/dbraw/zinc/31/34/26/960313426.db2.gz FMTLPZWSJSBCQO-ZWNOBZJWSA-N 0 0 314.223 3.743 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)C[C@H](C)O1 ZINC000047599851 1014069625 /nfs/dbraw/zinc/06/96/25/1014069625.db2.gz JJKUKAHEOJTEPR-KBPBESRZSA-N 0 0 318.417 3.649 10 0 DHAERN O=C([O-])C[N@H+](CCSc1ccc(F)cc1)Cc1ccccc1 ZINC000692414423 976454877 /nfs/dbraw/zinc/45/48/77/976454877.db2.gz JQSKJHQUIRIWGI-UHFFFAOYSA-N 0 0 319.401 3.505 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(Cl)ccc1F ZINC000692428534 976468599 /nfs/dbraw/zinc/46/85/99/976468599.db2.gz OAWVDEPIGQSIIJ-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN CC(C)(CC(=O)[O-])[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000694043025 976663522 /nfs/dbraw/zinc/66/35/22/976663522.db2.gz LZLCIXZVCPHDII-UHFFFAOYSA-N 0 0 313.397 3.609 10 0 DHAERN O=C([O-])[C@@H]1CCCCC[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722134098 978132749 /nfs/dbraw/zinc/13/27/49/978132749.db2.gz ZMDACLLBFRTMFQ-AWEZNQCLSA-N 0 0 316.228 3.865 10 0 DHAERN CC[N@H+](CCc1cc(Cl)cc(Cl)c1)C(C)(C)C(=O)[O-] ZINC000722129512 978133044 /nfs/dbraw/zinc/13/30/44/978133044.db2.gz QNVIKTVXLQFTFO-UHFFFAOYSA-N 0 0 304.217 3.721 10 0 DHAERN Fc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202765 1032389243 /nfs/dbraw/zinc/38/92/43/1032389243.db2.gz FFGMYBATXGLXTF-OAHLLOKOSA-N 0 0 317.751 3.741 10 0 DHAERN Cc1nccn1-c1cncc(N[C@H]2CCCc3ccc(F)cc32)n1 ZINC000092976488 1019555259 /nfs/dbraw/zinc/55/52/59/1019555259.db2.gz XGDIRZSJZRBAEL-INIZCTEOSA-N 0 0 323.375 3.599 10 0 DHAERN CSc1ccsc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048024 1030519894 /nfs/dbraw/zinc/51/98/94/1030519894.db2.gz BHRGMKOMEHUKGF-SNVBAGLBSA-N 0 0 324.496 3.946 10 0 DHAERN C[C@H](c1ccco1)N(C)CC(=O)N1CCC[C@@H]1c1cccs1 ZINC000069068836 1030543523 /nfs/dbraw/zinc/54/35/23/1030543523.db2.gz TUQAEFTWBSMWKI-ZIAGYGMSSA-N 0 0 318.442 3.698 10 0 DHAERN Cc1ccc(CCC(=O)N2CCC[C@H]2c2nccs2)cc1 ZINC000074909365 1030627652 /nfs/dbraw/zinc/62/76/52/1030627652.db2.gz MMOFHTJQELTWQJ-HNNXBMFYSA-N 0 0 300.427 3.748 10 0 DHAERN O=C(CCCOc1ccccc1)N1CCC[C@H]1c1nccs1 ZINC000074908258 1030628072 /nfs/dbraw/zinc/62/80/72/1030628072.db2.gz KWTTVHIVHFUZBR-HNNXBMFYSA-N 0 0 316.426 3.666 10 0 DHAERN C[C@@H]1CN(Cc2ncc(-c3ccccc3Cl)o2)C[C@H](C)O1 ZINC000075589567 1030665591 /nfs/dbraw/zinc/66/55/91/1030665591.db2.gz NPBWISHHUXPCFH-TXEJJXNPSA-N 0 0 306.793 3.604 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)[N@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390240 1030788651 /nfs/dbraw/zinc/78/86/51/1030788651.db2.gz MPZZRAWXAFSUBX-ZFWWWQNUSA-N 0 0 315.417 3.580 10 0 DHAERN C[C@@]1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000076507878 1030795466 /nfs/dbraw/zinc/79/54/66/1030795466.db2.gz KSUBPMPRFSTGPK-HIFRSBDPSA-N 0 0 312.240 3.662 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000078187625 1030919534 /nfs/dbraw/zinc/91/95/34/1030919534.db2.gz DZDPGRYITVQZLH-XJKSGUPXSA-N 0 0 313.372 3.853 10 0 DHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)CC3CCCC3)C2)c1 ZINC000081638624 1031565638 /nfs/dbraw/zinc/56/56/38/1031565638.db2.gz XQAJGBFVDAIVTL-OAHLLOKOSA-N 0 0 317.429 3.600 10 0 DHAERN CC(C)c1ccc(NC(=O)c2cc(-c3ccncc3)[nH]n2)cc1 ZINC000074630463 185004521 /nfs/dbraw/zinc/00/45/21/185004521.db2.gz YKCBIQNFHXKRQS-UHFFFAOYSA-N 0 0 306.369 3.847 10 0 DHAERN C[C@H](NC(=O)NCC1(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000190347358 334928515 /nfs/dbraw/zinc/92/85/15/334928515.db2.gz MAMZYBIEFMSYFL-AWEZNQCLSA-N 0 0 318.461 3.507 10 0 DHAERN CC(C)Oc1ccc(OC2CC2)cc1I ZINC000095712845 185383303 /nfs/dbraw/zinc/38/33/03/185383303.db2.gz SLOUCJIWJQBZKM-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CC(C)c1cccc(I)c1OC1CC1 ZINC000095722034 185383449 /nfs/dbraw/zinc/38/34/49/185383449.db2.gz QPKRWKCRKGNJOK-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN COc1ccc(CNCc2nc3ccccc3[nH]2)cc1Cl ZINC000096871930 185390107 /nfs/dbraw/zinc/39/01/07/185390107.db2.gz FDRKQUHSBKAABC-UHFFFAOYSA-N 0 0 301.777 3.515 10 0 DHAERN CCOc1ccc([C@H](O)c2cccs2)cc1Br ZINC000083162953 185215189 /nfs/dbraw/zinc/21/51/89/185215189.db2.gz INBGILVCRPNKAS-ZDUSSCGKSA-N 0 0 313.216 3.991 10 0 DHAERN O=C(c1ccccn1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000087493539 185226832 /nfs/dbraw/zinc/22/68/32/185226832.db2.gz QVZYKAJWQCPSAR-UHFFFAOYSA-N 0 0 301.773 3.666 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(Br)cc1C ZINC000087406448 185223994 /nfs/dbraw/zinc/22/39/94/185223994.db2.gz VOPBGDSOYZMXJK-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN CCC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225560 185287686 /nfs/dbraw/zinc/28/76/86/185287686.db2.gz FMXNZVFOLQKACM-DLBZAZTESA-N 0 0 314.433 3.561 10 0 DHAERN CSc1ccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)cc1F ZINC000090225294 185287767 /nfs/dbraw/zinc/28/77/67/185287767.db2.gz CGSWBOFBNPCJNQ-YGRLFVJLSA-N 0 0 320.437 3.633 10 0 DHAERN CC(C)[C@@H](O)Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000090246013 185288232 /nfs/dbraw/zinc/28/82/32/185288232.db2.gz NWSYKGROXCMPFP-LBPRGKRZSA-N 0 0 312.822 3.575 10 0 DHAERN Cc1ccccc1C(=O)NCCc1ncc(Cl)cc1Cl ZINC000090495177 185299028 /nfs/dbraw/zinc/29/90/28/185299028.db2.gz IPCSUUPWOQQSDI-UHFFFAOYSA-N 0 0 309.196 3.669 10 0 DHAERN COc1ccccc1[C@@H]1SCCC(=O)N1Cc1ccccc1 ZINC000090555255 185303114 /nfs/dbraw/zinc/30/31/14/185303114.db2.gz LPGQPNVTWJTLJN-SFHVURJKSA-N 0 0 313.422 3.860 10 0 DHAERN CS(=O)(=O)c1ccc(-c2cncc(Nc3ccccc3)c2)cc1 ZINC000090556700 185303172 /nfs/dbraw/zinc/30/31/72/185303172.db2.gz ZQVVLVMWTGPACE-UHFFFAOYSA-N 0 0 324.405 3.896 10 0 DHAERN O=C(Nc1ccc2cc(-c3cn[nH]c3)[nH]c2c1)c1ccccc1 ZINC000090624311 185307270 /nfs/dbraw/zinc/30/72/70/185307270.db2.gz OKHYQSXNHVDSSO-UHFFFAOYSA-N 0 0 302.337 3.810 10 0 DHAERN O=c1cc(C(F)(F)Oc2ccccc2)nc(-c2ccccc2)[nH]1 ZINC000090660640 185308274 /nfs/dbraw/zinc/30/82/74/185308274.db2.gz GFPBVUTZRPILQK-UHFFFAOYSA-N 0 0 314.291 3.565 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc([C@@H]4C[C@@H]4C)o3)CCO2)n1 ZINC000092790082 185341231 /nfs/dbraw/zinc/34/12/31/185341231.db2.gz UUUKKLSDKPZUHI-PEYYIBSZSA-N 0 0 318.442 3.741 10 0 DHAERN Cc1cccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c1C ZINC000092812018 185343630 /nfs/dbraw/zinc/34/36/30/185343630.db2.gz BWLUPTWXDSZUAP-SFHVURJKSA-N 0 0 324.472 3.958 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000103387145 185449436 /nfs/dbraw/zinc/44/94/36/185449436.db2.gz JRMZGEPPJAKBJK-CQSZACIVSA-N 0 0 305.418 3.757 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@H](C)C3)o2)cc1N ZINC000226304148 201774073 /nfs/dbraw/zinc/77/40/73/201774073.db2.gz FVKGFQZCHKMOQQ-BETUJISGSA-N 0 0 312.413 3.955 10 0 DHAERN NC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000226333420 201776546 /nfs/dbraw/zinc/77/65/46/201776546.db2.gz RFIXVVPWLNVCFT-FNORWQNLSA-N 0 0 305.736 3.557 10 0 DHAERN CCc1cccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)[O-])c1 ZINC000083434144 192370553 /nfs/dbraw/zinc/37/05/53/192370553.db2.gz GAHNEQKEEBIJKM-RBUKOAKNSA-N 0 0 309.409 3.549 10 0 DHAERN O=C1CC[C@@]2(CCCO2)CCN1Cc1cccc2ccccc21 ZINC000071552239 190990075 /nfs/dbraw/zinc/99/00/75/190990075.db2.gz QBCDZFJUYBYGAA-FQEVSTJZSA-N 0 0 309.409 3.902 10 0 DHAERN Brc1nc(-c2ccco2)sc1Br ZINC000072192897 191073897 /nfs/dbraw/zinc/07/38/97/191073897.db2.gz IXIOHCZKOVUCKA-UHFFFAOYSA-N 0 0 308.982 3.928 10 0 DHAERN FC(F)(F)c1ccccc1-c1cc(Br)ncn1 ZINC000072204618 191076743 /nfs/dbraw/zinc/07/67/43/191076743.db2.gz JFTWNXMJQPNPDY-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN CCOC(=O)C=C(Nc1ccc(Cl)cc1N)c1ccco1 ZINC000072236462 191081141 /nfs/dbraw/zinc/08/11/41/191081141.db2.gz PAWYMWPODYYDLB-UKTHLTGXSA-N 0 0 306.749 3.531 10 0 DHAERN O=C(Nc1ccccc1)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450793 191169587 /nfs/dbraw/zinc/16/95/87/191169587.db2.gz ARRRUZQRYULHLR-UHFFFAOYSA-N 0 0 324.767 3.948 10 0 DHAERN Cc1nn(-c2ccc(C)cc2)cc1-c1ccnc(N2CCCC2)n1 ZINC000072462214 191173047 /nfs/dbraw/zinc/17/30/47/191173047.db2.gz PXXJJGDCJJFWQT-UHFFFAOYSA-N 0 0 319.412 3.546 10 0 DHAERN CCc1nn2cc3c(nc2c1-c1ccc(F)cc1)CCCC3=O ZINC000072464060 191173748 /nfs/dbraw/zinc/17/37/48/191173748.db2.gz MPCYXSBWHKUKJD-UHFFFAOYSA-N 0 0 309.344 3.617 10 0 DHAERN CCc1nn2cc3c(nc2c1-c1ccc(C)cc1)CCCC3=O ZINC000072464058 191173852 /nfs/dbraw/zinc/17/38/52/191173852.db2.gz NPSKUFKLGWGNMQ-UHFFFAOYSA-N 0 0 305.381 3.786 10 0 DHAERN O=C(CCc1ccccc1)NC(=S)Nc1ccccc1Cl ZINC000000503279 180809132 /nfs/dbraw/zinc/80/91/32/180809132.db2.gz HJNSTIUXTYPPSG-UHFFFAOYSA-N 0 0 318.829 3.786 10 0 DHAERN Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@@H]23)cc1 ZINC000004322418 181098020 /nfs/dbraw/zinc/09/80/20/181098020.db2.gz QGSKFVUMFGVPNT-LMXXTMHSSA-N 0 0 302.418 3.713 10 0 DHAERN O=C(CCOc1ccccc1)Nc1nc2c(cccc2F)s1 ZINC000004331557 181098727 /nfs/dbraw/zinc/09/87/27/181098727.db2.gz TVBKOURYONQJAV-UHFFFAOYSA-N 0 0 316.357 3.843 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000073361094 191308238 /nfs/dbraw/zinc/30/82/38/191308238.db2.gz HDKNPRWMLCXWLX-QZTJIDSGSA-N 0 0 314.429 3.824 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000073361099 191308481 /nfs/dbraw/zinc/30/84/81/191308481.db2.gz HDKNPRWMLCXWLX-ZWKOTPCHSA-N 0 0 314.429 3.824 10 0 DHAERN O=c1[nH]c2ccc(Cl)cc2c(=O)n1C1CCCCCCC1 ZINC000073658135 191338083 /nfs/dbraw/zinc/33/80/83/191338083.db2.gz HKNSBPQEEOECNB-UHFFFAOYSA-N 0 0 306.793 3.629 10 0 DHAERN Nc1cccc(Oc2ncnc3c(-c4ccccc4)c[nH]c32)c1 ZINC000073737737 191350519 /nfs/dbraw/zinc/35/05/19/191350519.db2.gz JMWIGKNTGFZEIG-UHFFFAOYSA-N 0 0 302.337 3.999 10 0 DHAERN COc1cccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)c1 ZINC000005055261 181197734 /nfs/dbraw/zinc/19/77/34/181197734.db2.gz BWJMMFMFYFAARB-IBGZPJMESA-N 0 0 320.392 3.919 10 0 DHAERN O=C(Nc1ccc2[nH]c(-c3cscn3)nc2c1)c1ccccc1 ZINC000005117333 181205150 /nfs/dbraw/zinc/20/51/50/181205150.db2.gz RGELZFAUCFQQNR-UHFFFAOYSA-N 0 0 320.377 3.939 10 0 DHAERN C[C@@H]1N(C)c2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C ZINC000005141768 181208876 /nfs/dbraw/zinc/20/88/76/181208876.db2.gz IOUKYANHUBKAIN-VIFPVBQESA-N 0 0 324.346 3.673 10 0 DHAERN CCCOC(=O)CSc1ncnc2sc3c(c21)CCCC3 ZINC000005410433 181239834 /nfs/dbraw/zinc/23/98/34/181239834.db2.gz GIOJWBPUKHCRMY-UHFFFAOYSA-N 0 0 322.455 3.615 10 0 DHAERN CCC[C@@](CC)(c1cnc(N)c(C)c1)n1nnc2ccccc21 ZINC000005310972 181228473 /nfs/dbraw/zinc/22/84/73/181228473.db2.gz HFYJGDASCZAWLT-SFHVURJKSA-N 0 0 309.417 3.671 10 0 DHAERN Cc1cc(-c2ccccc2)n2[nH]c(=O)c(-c3ccccc3)c2n1 ZINC000005578128 181259572 /nfs/dbraw/zinc/25/95/72/181259572.db2.gz YXBNAXDNIPBVPD-UHFFFAOYSA-N 0 0 301.349 3.665 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1csc(-c2ccco2)n1 ZINC000081569701 192293554 /nfs/dbraw/zinc/29/35/54/192293554.db2.gz CCODAMKFETZULO-LLVKDONJSA-N 0 0 322.430 3.565 10 0 DHAERN CC(C)[C@H](N[C@H](C)c1cnn(C(C)C)c1)c1nc(C2CC2)no1 ZINC000089671134 192840053 /nfs/dbraw/zinc/84/00/53/192840053.db2.gz MFKFCOHWXQEWAC-DOMZBBRYSA-N 0 0 317.437 3.772 10 0 DHAERN O=S(=O)(c1ccccc1)n1ccc2c1cc(Cl)cc2F ZINC000238730490 202449350 /nfs/dbraw/zinc/44/93/50/202449350.db2.gz MNMFWUBNQCSUAD-UHFFFAOYSA-N 0 0 309.749 3.671 10 0 DHAERN CCC(=O)Nc1ccc(C(=O)N(CC(C)C)CC(C)C)cc1 ZINC000006202886 181318984 /nfs/dbraw/zinc/31/89/84/181318984.db2.gz KPEVFROABNDACX-UHFFFAOYSA-N 0 0 304.434 3.789 10 0 DHAERN Cc1cc(C)n2cc(COc3ccc(Cl)c(C)c3)nc2n1 ZINC000006382180 181335852 /nfs/dbraw/zinc/33/58/52/181335852.db2.gz WYBJYFMWKBHYAV-UHFFFAOYSA-N 0 0 301.777 3.887 10 0 DHAERN C[C@H](NC(=S)NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000006470929 181343486 /nfs/dbraw/zinc/34/34/86/181343486.db2.gz JGQNLMZHJDNKLK-VMPCVLLUSA-N 0 0 316.451 3.513 10 0 DHAERN CCC(=O)Nc1ccc(C(=O)NC2CCCCCCC2)cc1 ZINC000006777763 181386866 /nfs/dbraw/zinc/38/68/66/181386866.db2.gz XUXSJYXHEVSJEX-UHFFFAOYSA-N 0 0 302.418 3.878 10 0 DHAERN CCCN(C[C@@H]1CC(c2cccc(F)c2)=NO1)C(=O)CC(C)C ZINC000006874815 181399487 /nfs/dbraw/zinc/39/94/87/181399487.db2.gz MITJWMJVFIFFMI-INIZCTEOSA-N 0 0 320.408 3.603 10 0 DHAERN F[C@@]1(Cl)Oc2ccc(Br)cc2O[C@@]1(F)Cl ZINC000091252152 193027012 /nfs/dbraw/zinc/02/70/12/193027012.db2.gz DEVDQAXVEGUCIT-HTQZYQBOSA-N 0 0 319.916 3.945 10 0 DHAERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000134460061 335002841 /nfs/dbraw/zinc/00/28/41/335002841.db2.gz FGCDYLGVTWVAKV-AFAVFJNCSA-N 0 0 320.408 3.534 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000007215112 181446173 /nfs/dbraw/zinc/44/61/73/181446173.db2.gz KXIKTRXQOGEUGX-OAHLLOKOSA-N 0 0 301.773 3.523 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(CCOCc2ccncc2)CC1 ZINC000095083794 193418846 /nfs/dbraw/zinc/41/88/46/193418846.db2.gz DGUTYZALWHDZBB-UHFFFAOYSA-N 0 0 320.433 3.635 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2ccccc2o1 ZINC000095085918 193419532 /nfs/dbraw/zinc/41/95/32/193419532.db2.gz WGEJRWQKTPJLSO-LBPRGKRZSA-N 0 0 318.373 3.606 10 0 DHAERN Cc1ccnc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 ZINC000095089959 193422575 /nfs/dbraw/zinc/42/25/75/193422575.db2.gz SCQIVRGPIDVXEL-OAHLLOKOSA-N 0 0 320.433 3.949 10 0 DHAERN CCCCc1ccc2c(c1)C1(OCCO1)C(=O)N2CCC(C)C ZINC000008047318 181522588 /nfs/dbraw/zinc/52/25/88/181522588.db2.gz FGCBDCVWXDECPN-UHFFFAOYSA-N 0 0 317.429 3.622 10 0 DHAERN Cc1nc2ccc(F)cc2cc1C(=O)N(C)Cc1ccccc1 ZINC000008548367 181563120 /nfs/dbraw/zinc/56/31/20/181563120.db2.gz GWHFPTOVLIUFKW-UHFFFAOYSA-N 0 0 308.356 3.955 10 0 DHAERN CSc1cccc2sc(NC(=O)c3cc(C)on3)nc21 ZINC000009204938 181606790 /nfs/dbraw/zinc/60/67/90/181606790.db2.gz IUDIRHYYYKECQJ-UHFFFAOYSA-N 0 0 305.384 3.567 10 0 DHAERN Cc1ccc(-c2cc(CC(=O)Nc3cccc(F)c3)no2)cc1 ZINC000013574007 181863989 /nfs/dbraw/zinc/86/39/89/181863989.db2.gz AKYCHHISWVLTHY-UHFFFAOYSA-N 0 0 310.328 3.970 10 0 DHAERN NC(=O)N(O)[C@@H]1CCCc2cc(CCc3ccccc3)ccc21 ZINC000013760619 181891642 /nfs/dbraw/zinc/89/16/42/181891642.db2.gz SXJXYYNOPBADPE-GOSISDBHSA-N 0 0 310.397 3.619 10 0 DHAERN CCOc1ccc(C(=O)Nc2ccc(OC)cc2)c(OCC)c1 ZINC000014646719 181963878 /nfs/dbraw/zinc/96/38/78/181963878.db2.gz ATKQRYJNVYKDMQ-UHFFFAOYSA-N 0 0 315.369 3.745 10 0 DHAERN Cc1ccc([C@@H](C)Nc2ncc(Br)cn2)cc1F ZINC000094957839 335018608 /nfs/dbraw/zinc/01/86/08/335018608.db2.gz PNCUECKUUPLCQC-SECBINFHSA-N 0 0 310.170 3.860 10 0 DHAERN O=C(NCN1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)cc1 ZINC000016478364 182046287 /nfs/dbraw/zinc/04/62/87/182046287.db2.gz QYAOYCXCWXTZIG-MRXNPFEDSA-N 0 0 314.816 3.517 10 0 DHAERN Cc1c(N)cccc1C(=O)Nc1ccc(Br)cc1F ZINC000019274553 182111481 /nfs/dbraw/zinc/11/14/81/182111481.db2.gz LCRXCGGNQUPIAW-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Cc1cc(N)ccc1NC(=O)c1ccc(Br)s1 ZINC000019404865 182121881 /nfs/dbraw/zinc/12/18/81/182121881.db2.gz MAVJCDNHPQUNIJ-UHFFFAOYSA-N 0 0 311.204 3.654 10 0 DHAERN NC(=S)c1ccc(COc2ccccc2Br)cc1 ZINC000019515665 182127497 /nfs/dbraw/zinc/12/74/97/182127497.db2.gz MMRIAGUKBMCMRB-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)c1ccc(O)cc1 ZINC000019442140 182123418 /nfs/dbraw/zinc/12/34/18/182123418.db2.gz IDSYSYLRDKSLQS-UHFFFAOYSA-N 0 0 310.122 3.546 10 0 DHAERN Nc1ccc2c(c1)N(Cc1cc(Br)ccc1F)CC2 ZINC000019875101 182159370 /nfs/dbraw/zinc/15/93/70/182159370.db2.gz VBDZYFYWQRRAOJ-UHFFFAOYSA-N 0 0 321.193 3.733 10 0 DHAERN O=Cc1ccc(OCC(=O)c2ccc(Br)cc2)cc1 ZINC000019981778 182172916 /nfs/dbraw/zinc/17/29/16/182172916.db2.gz JWBIKJWTSICFLL-UHFFFAOYSA-N 0 0 319.154 3.523 10 0 DHAERN Cc1nc(CNc2ccc(Br)cc2F)cs1 ZINC000020252920 182200051 /nfs/dbraw/zinc/20/00/51/182200051.db2.gz GNPPTSNNWGAZGS-UHFFFAOYSA-N 0 0 301.184 3.965 10 0 DHAERN C[C@@H](Nc1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000020299391 182204093 /nfs/dbraw/zinc/20/40/93/182204093.db2.gz ACFJFKAYJLLZCZ-LLVKDONJSA-N 0 0 319.202 3.888 10 0 DHAERN C[C@@H](O)CNc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000020322929 182206736 /nfs/dbraw/zinc/20/67/36/182206736.db2.gz LYLHPWNGHDCNTL-MNOVXSKESA-N 0 0 319.474 3.635 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)Cc3ccccc3)n2)c1 ZINC000020336241 182208886 /nfs/dbraw/zinc/20/88/86/182208886.db2.gz SEKYXUPCYMABKQ-UHFFFAOYSA-N 0 0 309.394 3.574 10 0 DHAERN CCc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1N ZINC000020343797 182209685 /nfs/dbraw/zinc/20/96/85/182209685.db2.gz CEGRNIVXBVBFOH-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN CCc1cccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000020344537 182209730 /nfs/dbraw/zinc/20/97/30/182209730.db2.gz JCXYHKHEJAPUFL-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN Cc1cccc(C)c1OCC(=O)Nc1cc(N)ccc1Cl ZINC000020344353 182209861 /nfs/dbraw/zinc/20/98/61/182209861.db2.gz DGNSDASUQZETNB-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN Nc1ccc(NC(=O)c2ccc(Br)o2)c(Cl)c1 ZINC000020344302 182209924 /nfs/dbraw/zinc/20/99/24/182209924.db2.gz SKTNABNQDVZPKC-UHFFFAOYSA-N 0 0 315.554 3.530 10 0 DHAERN CCC(C)(C)OCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000020507725 182225783 /nfs/dbraw/zinc/22/57/83/182225783.db2.gz DKTGPLUYVZHCTB-UHFFFAOYSA-N 0 0 305.205 3.719 10 0 DHAERN O=C(c1cccc2c1SCCC2=O)N1CCc2ccccc21 ZINC000020902334 182252698 /nfs/dbraw/zinc/25/26/98/182252698.db2.gz YURWQENZMIRHAO-UHFFFAOYSA-N 0 0 309.390 3.568 10 0 DHAERN COc1ccc2c(CC(=O)N[C@H](C)c3ccc(C)o3)coc2c1 ZINC000021840009 182294875 /nfs/dbraw/zinc/29/48/75/182294875.db2.gz WSCLKZZUIQJSQO-GFCCVEGCSA-N 0 0 313.353 3.763 10 0 DHAERN CC(=O)N(Cc1ccccc1)[C@@H](C(=S)NC(C)(C)C)C(C)C ZINC000022130328 182309704 /nfs/dbraw/zinc/30/97/04/182309704.db2.gz RNSCEWIQVKXYJJ-MRXNPFEDSA-N 0 0 320.502 3.775 10 0 DHAERN O=C(N[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccnc(Cl)c1 ZINC000022764053 182333493 /nfs/dbraw/zinc/33/34/93/182333493.db2.gz PWRPZVCZESSPLH-UWVGGRQHSA-N 0 0 306.715 3.586 10 0 DHAERN CCS[C@H]1CC[C@@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000230923219 335027973 /nfs/dbraw/zinc/02/79/73/335027973.db2.gz WZDFRECZMZTQDC-SFYZADRCSA-N 0 0 320.867 3.669 10 0 DHAERN CO[C@@](C)(CNC(=O)/C=C\c1ccccc1)c1ccccc1F ZINC000101322423 193810450 /nfs/dbraw/zinc/81/04/50/193810450.db2.gz DEDDHYOERGEHFH-HSNDNRACSA-N 0 0 313.372 3.517 10 0 DHAERN Cc1ccc(-c2cc(CN(C)C(=O)c3ccco3)no2)c(C)c1 ZINC000036012392 182792526 /nfs/dbraw/zinc/79/25/26/182792526.db2.gz KLFREFNFICNKPZ-UHFFFAOYSA-N 0 0 310.353 3.824 10 0 DHAERN CC[C@@H](C)c1nn(C)c(N)c1-c1ccc(Br)cc1 ZINC000036937673 182853677 /nfs/dbraw/zinc/85/36/77/182853677.db2.gz XTLOGYUWFKUHDA-SECBINFHSA-N 0 0 308.223 3.945 10 0 DHAERN CCOC(=O)CS[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000037352744 182883259 /nfs/dbraw/zinc/88/32/59/182883259.db2.gz LTQZSYULBHOJIH-MRVPVSSYSA-N 0 0 321.225 3.861 10 0 DHAERN Cc1cc(N[C@@H]2CCCc3c2cnn3C)ccc1Br ZINC000037051537 182864817 /nfs/dbraw/zinc/86/48/17/182864817.db2.gz NNPRPJBIFAZOGC-CQSZACIVSA-N 0 0 320.234 3.981 10 0 DHAERN Cn1ncc2c1CCC[C@@H]2Nc1ccc(F)cc1Br ZINC000037051898 182864968 /nfs/dbraw/zinc/86/49/68/182864968.db2.gz WJWGMBJWDBXSDD-LBPRGKRZSA-N 0 0 324.197 3.811 10 0 DHAERN Cc1ccc(NC(=O)c2cc(F)cc(Br)c2)c(N)c1 ZINC000037064520 182865247 /nfs/dbraw/zinc/86/52/47/182865247.db2.gz WYNHEBMHULWXCN-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N(C)[C@@H](C)CC ZINC000037506946 182902978 /nfs/dbraw/zinc/90/29/78/182902978.db2.gz RTWUEWKIVUZOIU-JTQLQIEISA-N 0 0 301.228 3.531 10 0 DHAERN C[C@H](Nc1c2nsnc2c(Cl)cc1Cl)c1cc[nH]n1 ZINC000037908113 182935815 /nfs/dbraw/zinc/93/58/15/182935815.db2.gz LNJQZWIQKDMMER-YFKPBYRVSA-N 0 0 314.201 3.894 10 0 DHAERN CCn1cc(Br)cc1C(=O)N(C)[C@H](C)CC(C)C ZINC000037845152 182931619 /nfs/dbraw/zinc/93/16/19/182931619.db2.gz NFSBAZNWIRHVCF-LLVKDONJSA-N 0 0 315.255 3.777 10 0 DHAERN C[C@@]([NH2+]C1CCCC1)(C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000037968805 182944888 /nfs/dbraw/zinc/94/48/88/182944888.db2.gz AHNWHFYXKJAKFX-AWEZNQCLSA-N 0 0 301.308 3.537 10 0 DHAERN CCc1ccc(C(=O)[C@H](C)n2cc(Br)cn2)cc1 ZINC000038054618 182983606 /nfs/dbraw/zinc/98/36/06/182983606.db2.gz DBXATNLPLJIELQ-JTQLQIEISA-N 0 0 307.191 3.652 10 0 DHAERN c1ccc(-c2nn3c(c2-c2ccc4nccnc4c2)CCC3)nc1 ZINC000038605016 183004392 /nfs/dbraw/zinc/00/43/92/183004392.db2.gz VWRIUYRZMDTOCY-UHFFFAOYSA-N 0 0 313.364 3.502 10 0 DHAERN CSc1nnc(NC(=O)Cc2cccc3ccccc32)s1 ZINC000039989063 183026485 /nfs/dbraw/zinc/02/64/85/183026485.db2.gz GUKCOYAXIDQFLN-UHFFFAOYSA-N 0 0 315.423 3.594 10 0 DHAERN Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000039046959 183013902 /nfs/dbraw/zinc/01/39/02/183013902.db2.gz ZTXDADOQDAIFNV-UHFFFAOYSA-N 0 0 304.328 3.809 10 0 DHAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccccc1F ZINC000040250655 183049397 /nfs/dbraw/zinc/04/93/97/183049397.db2.gz KSWYWWDJNQCXOY-UHFFFAOYSA-N 0 0 312.344 3.794 10 0 DHAERN CCCCCn1c(CNC(=O)c2ccccn2)nc2ccccc21 ZINC000040184754 183045050 /nfs/dbraw/zinc/04/50/50/183045050.db2.gz DRUQWXLGCJHAKV-UHFFFAOYSA-N 0 0 322.412 3.552 10 0 DHAERN CCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040198071 183045497 /nfs/dbraw/zinc/04/54/97/183045497.db2.gz UGOXHBDJBUUTRT-UHFFFAOYSA-N 0 0 301.434 3.541 10 0 DHAERN COCCn1c(COc2ccccc2Cl)nc2ccccc21 ZINC000040233087 183048537 /nfs/dbraw/zinc/04/85/37/183048537.db2.gz VTYOSKMGFDZDGA-UHFFFAOYSA-N 0 0 316.788 3.915 10 0 DHAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295652 183052556 /nfs/dbraw/zinc/05/25/56/183052556.db2.gz ZGLCZAYQTKZZLV-UHFFFAOYSA-N 0 0 311.360 3.938 10 0 DHAERN Cc1cc2nc(CCCO)n(CCc3ccccc3)c2cc1C ZINC000040311044 183053387 /nfs/dbraw/zinc/05/33/87/183053387.db2.gz MLNSHKWDMIGVEO-UHFFFAOYSA-N 0 0 308.425 3.821 10 0 DHAERN CC(C)C[C@@H](C)N(C)C(=O)c1ccc(Br)c(N)c1 ZINC000040322618 183054138 /nfs/dbraw/zinc/05/41/38/183054138.db2.gz KEWVEHPCDUIWSH-SNVBAGLBSA-N 0 0 313.239 3.538 10 0 DHAERN OCCCn1c2cc(Cl)ccc2nc1Cc1ccccc1 ZINC000040402346 183061409 /nfs/dbraw/zinc/06/14/09/183061409.db2.gz YEFDICMCYUPYDD-UHFFFAOYSA-N 0 0 300.789 3.663 10 0 DHAERN Cc1ccccc1OCc1nc2ccc(Cl)cc2n1CCO ZINC000040401079 183061743 /nfs/dbraw/zinc/06/17/43/183061743.db2.gz NMRNYNFPVOHGHY-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1Cc2ccccc2N1 ZINC000040458168 183068983 /nfs/dbraw/zinc/06/89/83/183068983.db2.gz JYXGYSGOQZMVJL-AWEZNQCLSA-N 0 0 307.180 3.969 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccc(C)n3)c2N)c1 ZINC000040681215 183117073 /nfs/dbraw/zinc/11/70/73/183117073.db2.gz KOPDQYSXQXUFOE-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN Cc1ccc(Cl)cc1Nc1ncnc(NC(C)(C)C)c1N ZINC000040680406 183117236 /nfs/dbraw/zinc/11/72/36/183117236.db2.gz RQZDHSLTZDCEJO-UHFFFAOYSA-N 0 0 305.813 3.975 10 0 DHAERN Nc1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1 ZINC000040571719 183104323 /nfs/dbraw/zinc/10/43/23/183104323.db2.gz CEUXHCASNWLTMV-UHFFFAOYSA-N 0 0 324.815 3.919 10 0 DHAERN Nc1c(Nc2cccnc2Cl)ncnc1OC1CCCCC1 ZINC000040802089 183135214 /nfs/dbraw/zinc/13/52/14/183135214.db2.gz SCPJHCMUVYIYNH-UHFFFAOYSA-N 0 0 319.796 3.562 10 0 DHAERN CCN(CC)c1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040723199 183124826 /nfs/dbraw/zinc/12/48/26/183124826.db2.gz BBZTVEAJTNFFNN-UHFFFAOYSA-N 0 0 322.416 3.505 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3cccnc3)c2N)c1C ZINC000040755039 183129792 /nfs/dbraw/zinc/12/97/92/183129792.db2.gz VXTHHAWOBIRZEQ-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1N ZINC000040757735 183129929 /nfs/dbraw/zinc/12/99/29/183129929.db2.gz YLTPVXWSYDEUKU-UHFFFAOYSA-N 0 0 305.385 3.879 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3cccnc3)c2N)cc1C ZINC000040759878 183130615 /nfs/dbraw/zinc/13/06/15/183130615.db2.gz SAZOQGUFYOQVDJ-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1cc(C)c(NC(=S)NC(=O)c2ccco2)c(Cl)c1 ZINC000040898372 183147009 /nfs/dbraw/zinc/14/70/09/183147009.db2.gz RYMSJGPMTBFNJP-UHFFFAOYSA-N 0 0 308.790 3.677 10 0 DHAERN CCOc1ccc(CCC(=O)Nc2ccccc2F)cc1OC ZINC000040999960 183154999 /nfs/dbraw/zinc/15/49/99/183154999.db2.gz GFIKRLFQQSWFRV-UHFFFAOYSA-N 0 0 317.360 3.804 10 0 DHAERN CSc1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000040993271 183155304 /nfs/dbraw/zinc/15/53/04/183155304.db2.gz MZEFJZSJIFXRMM-AATRIKPKSA-N 0 0 311.819 3.565 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccccc1CO ZINC000042363000 183259532 /nfs/dbraw/zinc/25/95/32/183259532.db2.gz HNASVMHXSJPBQZ-UHFFFAOYSA-N 0 0 312.232 3.639 10 0 DHAERN CCC(CC)N(CCOC)CC(=O)c1ccc(Cl)s1 ZINC000042680614 183296208 /nfs/dbraw/zinc/29/62/08/183296208.db2.gz BEPSXJBRGHVIDV-UHFFFAOYSA-N 0 0 303.855 3.721 10 0 DHAERN O=C(c1cc2occc2[nH]1)N1CCCC2(CC1)SCCS2 ZINC000042750373 183304357 /nfs/dbraw/zinc/30/43/57/183304357.db2.gz ICISNDMWQIGUIU-UHFFFAOYSA-N 0 0 322.455 3.563 10 0 DHAERN Cn1[nH]cc2nc(-c3ccccc3OCc3ccccc3)nc1-2 ZINC000042917403 183318398 /nfs/dbraw/zinc/31/83/98/183318398.db2.gz ZRHROVFGTVSLOF-UHFFFAOYSA-N 0 0 304.353 3.542 10 0 DHAERN C[C@@H](c1ccc(Br)s1)n1ncc(Cl)c1N ZINC000043665821 183377986 /nfs/dbraw/zinc/37/79/86/183377986.db2.gz RIPAQGKHPUVBOD-YFKPBYRVSA-N 0 0 306.616 3.552 10 0 DHAERN CCC[C@@H](c1ccccc1)n1nc(C)c(Br)c1N ZINC000043668565 183378117 /nfs/dbraw/zinc/37/81/17/183378117.db2.gz MQKWTFNAAZTREC-LBPRGKRZSA-N 0 0 308.223 3.926 10 0 DHAERN CCC[C@H](c1ccccc1)n1nc(C)c(Br)c1N ZINC000043668567 183378438 /nfs/dbraw/zinc/37/84/38/183378438.db2.gz MQKWTFNAAZTREC-GFCCVEGCSA-N 0 0 308.223 3.926 10 0 DHAERN Nc1cnccc1SCc1sccc1Br ZINC000043675769 183379344 /nfs/dbraw/zinc/37/93/44/183379344.db2.gz QQGJIICNQOXYOI-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN Nc1ccsc1C(=O)OCc1cc(Br)cs1 ZINC000043688648 183381331 /nfs/dbraw/zinc/38/13/31/183381331.db2.gz MSQYVTFKHQOWPS-UHFFFAOYSA-N 0 0 318.217 3.511 10 0 DHAERN CC[C@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 ZINC000105858814 194148554 /nfs/dbraw/zinc/14/85/54/194148554.db2.gz ZZIWJMASNKUAHW-ROUUACIJSA-N 0 0 311.429 3.549 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)C[C@@H](C)O1 ZINC000047599853 183596835 /nfs/dbraw/zinc/59/68/35/183596835.db2.gz JJKUKAHEOJTEPR-ZIAGYGMSSA-N 0 0 318.417 3.649 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)c1ccccc1F)C2 ZINC000106373904 194202232 /nfs/dbraw/zinc/20/22/32/194202232.db2.gz SOMCCSQLUGTUTA-ZDUSSCGKSA-N 0 0 301.409 3.802 10 0 DHAERN CCOC(=O)CCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000106490489 194219273 /nfs/dbraw/zinc/21/92/73/194219273.db2.gz WMNWJILJDYGIOE-UHFFFAOYSA-N 0 0 302.345 3.900 10 0 DHAERN COc1ccc(Br)cc1C[C@@]1(O)CCC[C@H](C)C1 ZINC000049597559 183746054 /nfs/dbraw/zinc/74/60/54/183746054.db2.gz NGXITFHEFQZSPB-XHDPSFHLSA-N 0 0 313.235 3.941 10 0 DHAERN CC[C@@H](C)[C@](C)(O)Cc1ccc(OC)c(Br)c1 ZINC000049597800 183746283 /nfs/dbraw/zinc/74/62/83/183746283.db2.gz SOKGAUSXWHKOSY-QMTHXVAHSA-N 0 0 301.224 3.797 10 0 DHAERN O=c1ccn(-c2ccc(Cl)c(C(F)(F)F)c2)c(=S)[nH]1 ZINC000052312338 183857834 /nfs/dbraw/zinc/85/78/34/183857834.db2.gz IPXWQMHFKYUYOJ-UHFFFAOYSA-N 0 0 306.696 3.567 10 0 DHAERN O[C@@H](Cc1cc(Br)cs1)Cc1ccc(F)cc1 ZINC000053783621 183912491 /nfs/dbraw/zinc/91/24/91/183912491.db2.gz BBPKNIVFOJHZQS-GFCCVEGCSA-N 0 0 315.207 3.796 10 0 DHAERN CC(C)(C)c1nnc(NC(=O)N[C@H]2CCc3ccccc32)s1 ZINC000056736848 184018353 /nfs/dbraw/zinc/01/83/53/184018353.db2.gz GAWHGEBXVNAUGJ-LBPRGKRZSA-N 0 0 316.430 3.645 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)cc(F)c3)n2)cc1 ZINC000057342105 184034139 /nfs/dbraw/zinc/03/41/39/184034139.db2.gz HGUNAIMSLJHXCD-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2ccc(Cl)c(F)c2)[nH]1 ZINC000057341565 184034197 /nfs/dbraw/zinc/03/41/97/184034197.db2.gz DJXOWTYKYAXSNL-UHFFFAOYSA-N 0 0 315.735 3.973 10 0 DHAERN CC(=O)c1ccc(-n2ncc3ccccc32)c(Br)c1 ZINC000061694529 184183303 /nfs/dbraw/zinc/18/33/03/184183303.db2.gz OPIUOPZBQUBLMT-UHFFFAOYSA-N 0 0 315.170 3.991 10 0 DHAERN CCCn1ccnc1CNc1ccc(Br)c(C)c1 ZINC000061877297 184191975 /nfs/dbraw/zinc/19/19/75/184191975.db2.gz PZVGWBPKQWRVIS-UHFFFAOYSA-N 0 0 308.223 3.976 10 0 DHAERN COC(=O)c1cc(Nc2cccc(OC)c2)c2ccccc2n1 ZINC000065033527 184309057 /nfs/dbraw/zinc/30/90/57/184309057.db2.gz YBVMPZDTSYQQRM-UHFFFAOYSA-N 0 0 308.337 3.774 10 0 DHAERN Cc1ccc(CNC(=O)c2cncc(-c3ccc(F)cc3)c2)o1 ZINC000064668926 184302362 /nfs/dbraw/zinc/30/23/62/184302362.db2.gz RPHXCQMGMQCGCE-UHFFFAOYSA-N 0 0 310.328 3.719 10 0 DHAERN CCc1nc2ccc(-c3noc(-c4ccoc4)n3)cc2n1CC ZINC000065240675 184317780 /nfs/dbraw/zinc/31/77/80/184317780.db2.gz UFHSDQYIBYBBTJ-UHFFFAOYSA-N 0 0 308.341 3.929 10 0 DHAERN CSc1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000151734713 196721011 /nfs/dbraw/zinc/72/10/11/196721011.db2.gz JGDSFBJCSAFLIO-UHFFFAOYSA-N 0 0 316.430 3.543 10 0 DHAERN CC(C)OC(=O)c1cccnc1N[C@H](C)c1cccc(O)c1 ZINC000184104718 335059279 /nfs/dbraw/zinc/05/92/79/335059279.db2.gz SLDYJUQGZKJVKE-GFCCVEGCSA-N 0 0 300.358 3.526 10 0 DHAERN C[C@H](NC(=O)CCc1ccco1)c1cccc(Br)c1 ZINC000030465786 132168099 /nfs/dbraw/zinc/16/80/99/132168099.db2.gz HUIIDCKPDLIXSB-NSHDSACASA-N 0 0 322.202 3.852 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc4cc[nH]c4c3)C2)c1 ZINC000194349437 335067807 /nfs/dbraw/zinc/06/78/07/335067807.db2.gz KRBLPIYIOFGKPH-MRXNPFEDSA-N 0 0 323.400 3.542 10 0 DHAERN O=C(NCCc1ccccc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109080387 331509353 /nfs/dbraw/zinc/50/93/53/331509353.db2.gz OPHMIOFNDVNBLB-ZIAGYGMSSA-N 0 0 319.326 3.566 10 0 DHAERN CCCn1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cn1 ZINC000180545504 331572014 /nfs/dbraw/zinc/57/20/14/331572014.db2.gz SHYHQSSCYFCUHI-AWEZNQCLSA-N 0 0 307.397 3.937 10 0 DHAERN COC(=O)c1sc(Oc2c(F)cccc2F)nc1Cl ZINC000301927918 331757828 /nfs/dbraw/zinc/75/78/28/331757828.db2.gz KUHDMEOLMQHDJJ-UHFFFAOYSA-N 0 0 305.689 3.654 10 0 DHAERN CC1CC(C(=O)N(C)Cc2cc(Br)cs2)C1 ZINC000531000733 331975063 /nfs/dbraw/zinc/97/50/63/331975063.db2.gz WWYCZMDWSAXJLS-UHFFFAOYSA-N 0 0 302.237 3.515 10 0 DHAERN Cc1ccc(Cl)cc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130100760 332022678 /nfs/dbraw/zinc/02/26/78/332022678.db2.gz VMFDFFRSTFRDQY-MLGOLLRUSA-N 0 0 302.805 3.923 10 0 DHAERN COc1ccc(C)cc1[C@@H](C)NC(=O)c1cccc2c1CCCN2 ZINC000130136433 332023008 /nfs/dbraw/zinc/02/30/08/332023008.db2.gz LYJPZNDBFFENRT-CQSZACIVSA-N 0 0 324.424 3.853 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2cccc(F)c2)cc1F ZINC000087036172 332027129 /nfs/dbraw/zinc/02/71/29/332027129.db2.gz QDWASTFWLHKXNW-GFCCVEGCSA-N 0 0 304.340 3.834 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N(CCCCO)C2CC2)cc1 ZINC000088479355 332052710 /nfs/dbraw/zinc/05/27/10/332052710.db2.gz HDLWWRZJAUDPIM-HNNXBMFYSA-N 0 0 318.461 3.818 10 0 DHAERN COC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)C1 ZINC000091235383 332064290 /nfs/dbraw/zinc/06/42/90/332064290.db2.gz PUALTVDYYQFLEV-QWRGUYRKSA-N 0 0 316.854 3.531 10 0 DHAERN Fc1cccc(N2CCCC2)c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000091979379 332098768 /nfs/dbraw/zinc/09/87/68/332098768.db2.gz UPZGOEGZWOFNQL-RBUKOAKNSA-N 0 0 318.436 3.569 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1O ZINC000180870397 332142545 /nfs/dbraw/zinc/14/25/45/332142545.db2.gz ZIQSFCBXKPNXRR-HNNXBMFYSA-N 0 0 323.314 3.604 10 0 DHAERN C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000176524567 332945991 /nfs/dbraw/zinc/94/59/91/332945991.db2.gz DYYIIOIICIPOPW-GHMZBOCLSA-N 0 0 316.228 3.987 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000180954116 332169219 /nfs/dbraw/zinc/16/92/19/332169219.db2.gz KLNWOCDDRCRDDN-ZCNNSNEGSA-N 0 0 323.436 3.763 10 0 DHAERN Nc1ccc(-c2nc(Cc3cccc(F)c3)no2)c(Cl)c1 ZINC000048814664 332305466 /nfs/dbraw/zinc/30/54/66/332305466.db2.gz MCEXGPJPWVJHTL-UHFFFAOYSA-N 0 0 303.724 3.702 10 0 DHAERN COc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)ccc1O ZINC000120148029 332383939 /nfs/dbraw/zinc/38/39/39/332383939.db2.gz KHRRFOZNWDRNAD-HZPDHXFCSA-N 0 0 317.429 3.576 10 0 DHAERN C[C@@H](NC(=O)CCc1ccccc1N)c1ccc2c(c1)CCCC2 ZINC000261615393 332392498 /nfs/dbraw/zinc/39/24/98/332392498.db2.gz FGNPEFGVTFJEMY-OAHLLOKOSA-N 0 0 322.452 3.958 10 0 DHAERN CC[C@@H](SC)C(=O)N[C@H](C)c1ccccc1Br ZINC000124429114 332435825 /nfs/dbraw/zinc/43/58/25/332435825.db2.gz PDIIZPCTWFVRML-BXKDBHETSA-N 0 0 316.264 3.768 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)NCc2ccc(OC3CCCCC3)cc2)O1 ZINC000151379544 332574525 /nfs/dbraw/zinc/57/45/25/332574525.db2.gz DHVNRSVQUJCWSA-RDTXWAMCSA-N 0 0 317.429 3.582 10 0 DHAERN OC[C@H]1CCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000225271799 332660286 /nfs/dbraw/zinc/66/02/86/332660286.db2.gz KHRIEWPCGXKIDI-KCJUWKMLSA-N 0 0 308.731 3.717 10 0 DHAERN Cc1nc2c(cnn2C)c(N[C@H]2CC[C@H](C)c3ccccc32)n1 ZINC000178609048 333016483 /nfs/dbraw/zinc/01/64/83/333016483.db2.gz JKFQTJXVLBZDGO-ZBEGNZNMSA-N 0 0 307.401 3.722 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)c2cnn3c2CCCC3)cc1 ZINC000179068360 333024051 /nfs/dbraw/zinc/02/40/51/333024051.db2.gz PTUQBHQHVFRKJB-AWEZNQCLSA-N 0 0 311.429 3.834 10 0 DHAERN Cc1occc1CN(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171743175 333053519 /nfs/dbraw/zinc/05/35/19/333053519.db2.gz VLWTZZPHLKUWRY-ZIAGYGMSSA-N 0 0 305.324 3.628 10 0 DHAERN Fc1ccccc1-n1ccc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000189014913 333060961 /nfs/dbraw/zinc/06/09/61/333060961.db2.gz PEYQAOHZNKBFBQ-QGZVFWFLSA-N 0 0 311.360 3.942 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)NCCc1cccc(Br)c1 ZINC000314157176 333090301 /nfs/dbraw/zinc/09/03/01/333090301.db2.gz GQLCKUFQBRNIJV-RISCZKNCSA-N 0 0 310.235 3.544 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CCS1 ZINC000181819167 333105215 /nfs/dbraw/zinc/10/52/15/333105215.db2.gz JPDLVJKCFCSRNP-ZJUUUORDSA-N 0 0 312.401 3.500 10 0 DHAERN C[C@H]1CN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CCS1 ZINC000181819224 333105327 /nfs/dbraw/zinc/10/53/27/333105327.db2.gz JPDLVJKCFCSRNP-VHSXEESVSA-N 0 0 312.401 3.500 10 0 DHAERN COC(=O)c1ccc(F)c(C[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000182104358 333149578 /nfs/dbraw/zinc/14/95/78/333149578.db2.gz XJOGAYAUEAJXTI-ZDUSSCGKSA-N 0 0 301.361 3.772 10 0 DHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000110051923 333326286 /nfs/dbraw/zinc/32/62/86/333326286.db2.gz AJSQBNCIYAKSFK-JGVFFNPUSA-N 0 0 311.838 3.722 10 0 DHAERN CCC1CCC(NC(=O)c2c(F)ccc(OC)c2OC)CC1 ZINC000188279549 333362624 /nfs/dbraw/zinc/36/26/24/333362624.db2.gz OCUBQLABUAQJEO-UHFFFAOYSA-N 0 0 309.381 3.542 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000063060739 333384268 /nfs/dbraw/zinc/38/42/68/333384268.db2.gz UNRDBBYRXFQOKJ-NWDGAFQWSA-N 0 0 303.299 3.985 10 0 DHAERN Cc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)ccc1F ZINC000063060750 333384992 /nfs/dbraw/zinc/38/49/92/333384992.db2.gz KNZWWBWTZUSQOV-UHFFFAOYSA-N 0 0 303.299 3.985 10 0 DHAERN COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1cccs1 ZINC000047978452 333556120 /nfs/dbraw/zinc/55/61/20/333556120.db2.gz XEDXMXBBVFLLTP-JTQLQIEISA-N 0 0 324.833 3.971 10 0 DHAERN Cc1cc(Br)cc(NC(=O)C[C@@H](C)C(C)C)c1N ZINC000186543998 335158622 /nfs/dbraw/zinc/15/86/22/335158622.db2.gz OQLSIQQHKYLHGI-SECBINFHSA-N 0 0 313.239 3.960 10 0 DHAERN CC[C@]1(C)CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000187780514 334273260 /nfs/dbraw/zinc/27/32/60/334273260.db2.gz HIDFINXTAQSFQQ-IINYFYTJSA-N 0 0 316.854 3.673 10 0 DHAERN COc1ccc(O)c(C(=O)N[C@H](C)c2cccc(Cl)c2)c1 ZINC000048931122 334302537 /nfs/dbraw/zinc/30/25/37/334302537.db2.gz DAJQBUINKQSAQK-SNVBAGLBSA-N 0 0 305.761 3.545 10 0 DHAERN CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000112131760 334365616 /nfs/dbraw/zinc/36/56/16/334365616.db2.gz PUUVQCBSPVGBCJ-ZIAGYGMSSA-N 0 0 310.463 3.966 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1ccc(C(F)(F)F)cn1 ZINC000302798944 334368031 /nfs/dbraw/zinc/36/80/31/334368031.db2.gz BIWUOJDUBPTSGD-AWEZNQCLSA-N 0 0 302.340 3.886 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000112187445 334368642 /nfs/dbraw/zinc/36/86/42/334368642.db2.gz ZIFMJIYAXGQKQP-BLLLJJGKSA-N 0 0 303.402 3.837 10 0 DHAERN C[C@@H](NC(=O)Cc1cncs1)c1ccc(Cl)c(Cl)c1 ZINC000187977021 334606428 /nfs/dbraw/zinc/60/64/28/334606428.db2.gz RLEGFYARMLYFSU-MRVPVSSYSA-N 0 0 315.225 3.870 10 0 DHAERN C[C@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@H]1CCCO1 ZINC000112570861 334719659 /nfs/dbraw/zinc/71/96/59/334719659.db2.gz VHBKBEHRXAFTEI-DOTOQJQBSA-N 0 0 303.446 3.719 10 0 DHAERN CCCOc1cc(C)ccc1NC(=O)N1CCS[C@H](C)C1 ZINC000171375525 334875371 /nfs/dbraw/zinc/87/53/71/334875371.db2.gz XAEFBXUZOUIVIK-CYBMUJFWSA-N 0 0 308.447 3.753 10 0 DHAERN COc1ccc(F)cc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000093789679 335671734 /nfs/dbraw/zinc/67/17/34/335671734.db2.gz PSAHAMWLQWVVHS-VXGBXAGGSA-N 0 0 321.298 3.855 10 0 DHAERN Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1nnc3n1CCCC3)CCC2 ZINC000166732583 335828661 /nfs/dbraw/zinc/82/86/61/335828661.db2.gz FSZLNNFKJSVWSR-YOEHRIQHSA-N 0 0 310.445 3.651 10 0 DHAERN CCN(C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1 ZINC000053961689 335848613 /nfs/dbraw/zinc/84/86/13/335848613.db2.gz QKRYNDYYGRYHRK-MRXNPFEDSA-N 0 0 302.418 3.874 10 0 DHAERN C[C@@H](c1ccccc1)N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000053961739 335848639 /nfs/dbraw/zinc/84/86/39/335848639.db2.gz DVETZAUYVBBBLQ-YOEHRIQHSA-N 0 0 310.397 3.913 10 0 DHAERN C[C@@H]1C(=O)CC[C@H](c2nc(COC3CCCC3)no2)C1(C)C ZINC000329370022 335968810 /nfs/dbraw/zinc/96/88/10/335968810.db2.gz AQFCNJBYUDIQQH-DGCLKSJQSA-N 0 0 306.406 3.638 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccoc2Cl)C12CCCC2 ZINC000192318515 336030986 /nfs/dbraw/zinc/03/09/86/336030986.db2.gz MWFSZEPQKPDTEP-CHWSQXEVSA-N 0 0 311.809 3.743 10 0 DHAERN CC(C)C[C@@H](C)n1nccc1NC(=O)C[C@@H]1CCCCNC1=O ZINC000330292854 336136186 /nfs/dbraw/zinc/13/61/86/336136186.db2.gz DMDALDQZYURAKA-KGLIPLIRSA-N 0 0 320.437 3.575 10 0 DHAERN O=C(Nc1ccc2c(c1)oc1ccccc12)N1CC(O)(C2CC2)C1 ZINC000332990057 336195922 /nfs/dbraw/zinc/19/59/22/336195922.db2.gz AZJHEHVHSCSSLI-UHFFFAOYSA-N 0 0 322.364 3.575 10 0 DHAERN CC(C)c1ncsc1NC(=O)N1C[C@@]2(CCCO2)[C@@H]1C(C)C ZINC000333061144 336197502 /nfs/dbraw/zinc/19/75/02/336197502.db2.gz DFRXCTZVRDYKLE-BBRMVZONSA-N 0 0 323.462 3.688 10 0 DHAERN CC(C)c1cnc(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)s1 ZINC000333208257 336199817 /nfs/dbraw/zinc/19/98/17/336199817.db2.gz SRIUNXVGEOGWPE-CJNGLKHVSA-N 0 0 323.462 3.688 10 0 DHAERN CC(C)[C@H]1N(C(=O)Nc2cccc3[nH]ccc32)C[C@]12CCCO2 ZINC000333278586 336201090 /nfs/dbraw/zinc/20/10/90/336201090.db2.gz XKZBNOHGQUSTGC-SJLPKXTDSA-N 0 0 313.401 3.589 10 0 DHAERN CCCc1cnc(NC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)s1 ZINC000333484639 336204546 /nfs/dbraw/zinc/20/45/46/336204546.db2.gz HVGSHOQIOGSRAI-CZUORRHYSA-N 0 0 323.462 3.517 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000103385901 336241311 /nfs/dbraw/zinc/24/13/11/336241311.db2.gz FMUQIOMLVNOHEM-NSHDSACASA-N 0 0 320.776 3.748 10 0 DHAERN c1cc(NCc2cn(-c3ccccc3)nc2-c2cccnc2)no1 ZINC000167799853 336261361 /nfs/dbraw/zinc/26/13/61/336261361.db2.gz UJESMPJTEOTLAT-UHFFFAOYSA-N 0 0 317.352 3.534 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)CC(C)(C)C1 ZINC000182640296 336277653 /nfs/dbraw/zinc/27/76/53/336277653.db2.gz DQDIIFKHIWDGTQ-ZIAGYGMSSA-N 0 0 313.445 3.684 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000182690906 336280876 /nfs/dbraw/zinc/28/08/76/336280876.db2.gz KLNWOCDDRCRDDN-XUVXKRRUSA-N 0 0 323.436 3.763 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc2ccccc2n1 ZINC000301212898 336295216 /nfs/dbraw/zinc/29/52/16/336295216.db2.gz VXVORYAAENRHPS-KRWDZBQOSA-N 0 0 306.413 3.927 10 0 DHAERN C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1cc2cc(Cl)ccc2o1 ZINC000301283553 336298644 /nfs/dbraw/zinc/29/86/44/336298644.db2.gz PIDHCJGPEJGBGO-SSDOTTSWSA-N 0 0 324.167 3.996 10 0 DHAERN CSCc1cc(Nc2ncnc3n[nH]cc32)ccc1Cl ZINC000301301355 336299705 /nfs/dbraw/zinc/29/97/05/336299705.db2.gz VDCBFSGMZYZOCM-UHFFFAOYSA-N 0 0 305.794 3.613 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)c2cc(Cl)nc(C)n2)C12CCCC2 ZINC000301325217 336300725 /nfs/dbraw/zinc/30/07/25/336300725.db2.gz AHIZRYFSUKITOO-CHWSQXEVSA-N 0 0 309.841 3.612 10 0 DHAERN CCOc1ccccc1CNc1cncc(Br)c1 ZINC000301327958 336300805 /nfs/dbraw/zinc/30/08/05/336300805.db2.gz ABDRPVJSNOBGGI-UHFFFAOYSA-N 0 0 307.191 3.855 10 0 DHAERN CCc1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc(-c2ccncc2)n1 ZINC000301402123 336304513 /nfs/dbraw/zinc/30/45/13/336304513.db2.gz CULZZPOPYNRQDR-HOTGVXAUSA-N 0 0 306.413 3.503 10 0 DHAERN CCS[C@H]1CC[C@@]1(O)CNc1ccnc2cc(Cl)ccc21 ZINC000301497532 336310526 /nfs/dbraw/zinc/31/05/26/336310526.db2.gz UYQQXAOOMSNEQJ-JKSUJKDBSA-N 0 0 322.861 3.947 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000301527450 336312584 /nfs/dbraw/zinc/31/25/84/336312584.db2.gz GNJLRGDBYHEXGT-BYVOGVQKSA-N 0 0 311.422 3.520 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301590021 336316815 /nfs/dbraw/zinc/31/68/15/336316815.db2.gz XGAHVDMEYYMAFB-VVYDWRJNSA-N 0 0 320.433 3.866 10 0 DHAERN COCC[C@H](Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1 ZINC000301618329 336318586 /nfs/dbraw/zinc/31/85/86/336318586.db2.gz CWQFUPFISLIUQE-HNNXBMFYSA-N 0 0 305.809 3.937 10 0 DHAERN C[C@H]1CN(c2ccc3cccc(Br)c3n2)C[C@H](C)O1 ZINC000301616250 336318609 /nfs/dbraw/zinc/31/86/09/336318609.db2.gz VTUUWWWGRHKEHL-QWRGUYRKSA-N 0 0 321.218 3.611 10 0 DHAERN c1ccc2c(c1)CCC[C@@]21C[C@H]1CNc1ccc2nccnc2n1 ZINC000301653898 336320963 /nfs/dbraw/zinc/32/09/63/336320963.db2.gz RJHMUFUFMXJNPI-YWZLYKJASA-N 0 0 316.408 3.731 10 0 DHAERN Cc1cccc2c(N3CC[C@@H](C)[C@@H](n4ccnc4)C3)cc[nH+]c12 ZINC000301663729 336321808 /nfs/dbraw/zinc/32/18/08/336321808.db2.gz KQXVIGWMDQJTGL-KDOFPFPSSA-N 0 0 306.413 3.827 10 0 DHAERN Cc1cc(NCCSCC(C)(C)O)c2cc(F)ccc2[nH+]1 ZINC000301676572 336322854 /nfs/dbraw/zinc/32/28/54/336322854.db2.gz QCHULPBBDXEIFH-UHFFFAOYSA-N 0 0 308.422 3.598 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000301792879 336330194 /nfs/dbraw/zinc/33/01/94/336330194.db2.gz RWWPIMYQUABOFA-KBPBESRZSA-N 0 0 316.405 3.625 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 ZINC000301803423 336331154 /nfs/dbraw/zinc/33/11/54/336331154.db2.gz XIGZKENFJBTNBC-ZFWWWQNUSA-N 0 0 317.364 3.778 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 ZINC000301803422 336331202 /nfs/dbraw/zinc/33/12/02/336331202.db2.gz XIGZKENFJBTNBC-UKRRQHHQSA-N 0 0 317.364 3.778 10 0 DHAERN Cc1cc(N[C@@H]2CCCCC[C@@H]2CO)ncc1Br ZINC000301820732 336332184 /nfs/dbraw/zinc/33/21/84/336332184.db2.gz BFDHIGPYBDRAFX-DGCLKSJQSA-N 0 0 313.239 3.506 10 0 DHAERN Cc1cc(N[C@H]2CCCCC[C@H]2CO)ncc1Br ZINC000301820731 336332249 /nfs/dbraw/zinc/33/22/49/336332249.db2.gz BFDHIGPYBDRAFX-AAEUAGOBSA-N 0 0 313.239 3.506 10 0 DHAERN CCc1nc2sccc2c(N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)n1 ZINC000301836887 336333283 /nfs/dbraw/zinc/33/32/83/336333283.db2.gz MGFWJZLQGDYNSK-LERXQTSPSA-N 0 0 317.458 3.503 10 0 DHAERN CCc1nc2sccc2c(Oc2ccc(CCO)cc2)n1 ZINC000301845209 336333698 /nfs/dbraw/zinc/33/36/98/336333698.db2.gz SQYCFEXPIZUIPA-UHFFFAOYSA-N 0 0 300.383 3.581 10 0 DHAERN Cc1cnc(CCNc2cc(C)c(Br)cn2)s1 ZINC000301846242 336333737 /nfs/dbraw/zinc/33/37/37/336333737.db2.gz UEAPCHADRXRZSD-UHFFFAOYSA-N 0 0 312.236 3.572 10 0 DHAERN CCc1ncnc(N[C@@H](Cc2ccccc2)C(F)(F)F)c1F ZINC000301916125 336337988 /nfs/dbraw/zinc/33/79/88/336337988.db2.gz DNNUFPDYYVONRM-LBPRGKRZSA-N 0 0 313.298 3.764 10 0 DHAERN C[C@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(C)(C)C ZINC000301956789 336339959 /nfs/dbraw/zinc/33/99/59/336339959.db2.gz MZRHWBWXXMPVBR-NSHDSACASA-N 0 0 313.380 3.777 10 0 DHAERN C[C@@H](Nc1nc(-c2ccsc2)nc2ccccc21)c1nc[nH]n1 ZINC000301983774 336341296 /nfs/dbraw/zinc/34/12/96/336341296.db2.gz AVQMXODODAOYDO-SNVBAGLBSA-N 0 0 322.397 3.650 10 0 DHAERN CCOC(=O)c1sc(N[C@H]2CC[C@H](SCC)C2)nc1C ZINC000302001979 336342405 /nfs/dbraw/zinc/34/24/05/336342405.db2.gz JICHWWMQIYTBLZ-QWRGUYRKSA-N 0 0 314.476 3.714 10 0 DHAERN CCOC(=O)c1sc(N[C@@H]2CC[C@@H](SCC)C2)nc1C ZINC000302001977 336342498 /nfs/dbraw/zinc/34/24/98/336342498.db2.gz JICHWWMQIYTBLZ-GHMZBOCLSA-N 0 0 314.476 3.714 10 0 DHAERN c1csc([C@@H](Nc2nnc(-c3ccccn3)s2)C2CC2)n1 ZINC000302009269 336342942 /nfs/dbraw/zinc/34/29/42/336342942.db2.gz BSHLQTBKJCVPSW-NSHDSACASA-N 0 0 315.427 3.620 10 0 DHAERN COc1cc([C@@H](C)Nc2nc(C)nc3c2CCCC3)ccc1F ZINC000302111623 336348934 /nfs/dbraw/zinc/34/89/34/336348934.db2.gz UMSHHLUBGCVCAZ-LLVKDONJSA-N 0 0 315.392 3.985 10 0 DHAERN C[C@@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C[C@H]1O ZINC000302119322 336349262 /nfs/dbraw/zinc/34/92/62/336349262.db2.gz CYWFVBDTOYKKEP-QMTHXVAHSA-N 0 0 308.834 3.671 10 0 DHAERN C[C@H](Nc1nccn2c1nnc2C1CC1)c1ccccc1Cl ZINC000302206144 336353863 /nfs/dbraw/zinc/35/38/63/336353863.db2.gz KGIBHIZUBJVPOW-JTQLQIEISA-N 0 0 313.792 3.828 10 0 DHAERN Cc1c([C@@H](C)Nc2cncc(C)n2)cnn1-c1ccc(F)cc1 ZINC000302220728 336354687 /nfs/dbraw/zinc/35/46/87/336354687.db2.gz MEILCBZXTIHVIE-GFCCVEGCSA-N 0 0 311.364 3.591 10 0 DHAERN C[C@H](Nc1ccc2nnc(-c3ccsc3)n2n1)C(C)(C)C ZINC000302549666 336361408 /nfs/dbraw/zinc/36/14/08/336361408.db2.gz HWNMCRDYIQQTDB-JTQLQIEISA-N 0 0 301.419 3.699 10 0 DHAERN Cc1ccccc1[C@@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000302551304 336361474 /nfs/dbraw/zinc/36/14/74/336361474.db2.gz WFXYLFSNAJRGMF-KRWDZBQOSA-N 0 0 314.335 3.967 10 0 DHAERN Cc1nc2c(c(Oc3ccc4c(c3)OC(=O)C[C@@H]4C)n1)CCCC2 ZINC000302827923 336371134 /nfs/dbraw/zinc/37/11/34/336371134.db2.gz NWVVBIGGCQROAI-NSHDSACASA-N 0 0 324.380 3.869 10 0 DHAERN CCC[C@]1(COC)CCCN1c1cc(Cl)nc(C2CC2)n1 ZINC000302839116 336371522 /nfs/dbraw/zinc/37/15/22/336371522.db2.gz YXZQRDQYTJTEKH-MRXNPFEDSA-N 0 0 309.841 3.793 10 0 DHAERN CC(=O)c1ccc(Oc2ncnc3c(F)cccc23)c(F)c1 ZINC000302894750 336373606 /nfs/dbraw/zinc/37/36/06/336373606.db2.gz OQQLGUSBOYXPEL-UHFFFAOYSA-N 0 0 300.264 3.903 10 0 DHAERN CC(C)c1cc(C(=O)N2[C@H](C)COC[C@@H]2C)c2ccccc2n1 ZINC000193158090 336614743 /nfs/dbraw/zinc/61/47/43/336614743.db2.gz FKZDTYBZENOQDB-OKILXGFUSA-N 0 0 312.413 3.608 10 0 DHAERN O=C(C[C@H]1OCCc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116040115 336830349 /nfs/dbraw/zinc/83/03/49/336830349.db2.gz GFLCSZXNIUCQGL-SJLPKXTDSA-N 0 0 311.381 3.647 10 0 DHAERN O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1)C1CC1 ZINC000116046568 336830601 /nfs/dbraw/zinc/83/06/01/336830601.db2.gz XJYJFJJORAOERW-INIZCTEOSA-N 0 0 324.380 3.605 10 0 DHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000116202075 336834194 /nfs/dbraw/zinc/83/41/94/336834194.db2.gz VUIROADJWTTXJN-MAUKXSAKSA-N 0 0 311.429 3.966 10 0 DHAERN O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116425278 336840320 /nfs/dbraw/zinc/84/03/20/336840320.db2.gz SCZQRHFNLYJJQQ-BZUAXINKSA-N 0 0 314.360 3.821 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCO[C@H](c2nccs2)C1 ZINC000117257147 336853614 /nfs/dbraw/zinc/85/36/14/336853614.db2.gz VJYJVTBGZMFLIR-KBPBESRZSA-N 0 0 310.463 3.650 10 0 DHAERN C[S@@](=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1F ZINC000119327102 336885654 /nfs/dbraw/zinc/88/56/54/336885654.db2.gz XLMPQHQXNUWFGO-QLEMLULZSA-N 0 0 323.433 3.718 10 0 DHAERN CSc1cnn(-c2ccccc2)c1NC(=O)N[C@@H](C)C(C)C ZINC000120434038 336911991 /nfs/dbraw/zinc/91/19/91/336911991.db2.gz VXHGREJDQOYXTG-LBPRGKRZSA-N 0 0 318.446 3.760 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000120782264 336920952 /nfs/dbraw/zinc/92/09/52/336920952.db2.gz ZRIISQOFOXCHGG-BRWVUGGUSA-N 0 0 301.434 3.680 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1Cc1csc(-c2ccccc2F)n1 ZINC000120954637 336926005 /nfs/dbraw/zinc/92/60/05/336926005.db2.gz KGMPVOQOVLTFBB-VXGBXAGGSA-N 0 0 306.406 3.558 10 0 DHAERN C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121081557 336928574 /nfs/dbraw/zinc/92/85/74/336928574.db2.gz LDXOAYJTYXLYKO-WFASDCNBSA-N 0 0 302.418 3.729 10 0 DHAERN CC1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000121136266 336931964 /nfs/dbraw/zinc/93/19/64/336931964.db2.gz YMCMHHBLTAJULJ-OAHLLOKOSA-N 0 0 302.418 3.730 10 0 DHAERN CCC[C@H](C(=O)N1CCC(c2cnn(CC)c2)CC1)C(C)C ZINC000122479276 337009281 /nfs/dbraw/zinc/00/92/81/337009281.db2.gz WCFCZSKEPOXSAC-KRWDZBQOSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)c(F)cc1F ZINC000122814971 337026559 /nfs/dbraw/zinc/02/65/59/337026559.db2.gz IMKMEMJCTQOOQQ-MRXNPFEDSA-N 0 0 323.362 3.791 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CC[C@@H](Oc2cccnc2)C1 ZINC000123099688 337035388 /nfs/dbraw/zinc/03/53/88/337035388.db2.gz UFSUPJNJAIUWQI-MRXNPFEDSA-N 0 0 304.434 3.668 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccccc2OC(F)(F)F)CCS1 ZINC000171365585 337086358 /nfs/dbraw/zinc/08/63/58/337086358.db2.gz GCWKVWUABSYEJO-VIFPVBQESA-N 0 0 320.336 3.554 10 0 DHAERN CC(C)n1ncc2ccc(NC(=O)N3CCS[C@@H](C)C3)cc21 ZINC000171383127 337086452 /nfs/dbraw/zinc/08/64/52/337086452.db2.gz ILRCXCABYVZOTI-LBPRGKRZSA-N 0 0 318.446 3.586 10 0 DHAERN C[C@H](NCc1nnc(-c2ccco2)o1)c1cccc(Cl)c1 ZINC000171117109 337086877 /nfs/dbraw/zinc/08/68/77/337086877.db2.gz AAEBGMHYSFIYCH-JTQLQIEISA-N 0 0 303.749 3.834 10 0 DHAERN Cc1cccc2[nH]cc(CC(=O)N[C@@H]3CCOc4ccccc43)c21 ZINC000171431121 337087226 /nfs/dbraw/zinc/08/72/26/337087226.db2.gz YGNJJNQPHQCMEV-MRXNPFEDSA-N 0 0 320.392 3.659 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CCS1 ZINC000171721388 337088938 /nfs/dbraw/zinc/08/89/38/337088938.db2.gz IOOMMIMRTJCRMY-VIFPVBQESA-N 0 0 304.337 3.675 10 0 DHAERN C/C(=C\C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)c1ccccc1 ZINC000171819699 337089294 /nfs/dbraw/zinc/08/92/94/337089294.db2.gz IHXHVIOIWUMZHX-KAUXGEHWSA-N 0 0 323.440 3.804 10 0 DHAERN CCOc1ncc(C(=O)N[C@H](C)c2cccs2)cc1Cl ZINC000171986423 337090701 /nfs/dbraw/zinc/09/07/01/337090701.db2.gz PKCMCIFZGAAOHL-SECBINFHSA-N 0 0 310.806 3.686 10 0 DHAERN O=C(C[C@@H]1CCCc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000172384104 337128605 /nfs/dbraw/zinc/12/86/05/337128605.db2.gz ISOKMZFCPAANLV-KRWDZBQOSA-N 0 0 323.440 3.626 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc3nccn3c2)o1 ZINC000172669399 337129391 /nfs/dbraw/zinc/12/93/91/337129391.db2.gz VGPOFQGILLWBLP-MRXNPFEDSA-N 0 0 323.396 3.857 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 ZINC000173062815 337131832 /nfs/dbraw/zinc/13/18/32/337131832.db2.gz WKDSUUCIJJFVFN-MRXNPFEDSA-N 0 0 314.454 3.709 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@@H]1CCCc2ccccc21 ZINC000173046843 337133288 /nfs/dbraw/zinc/13/32/88/337133288.db2.gz PAQJFXAMFPYOPF-QGZVFWFLSA-N 0 0 301.336 3.701 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000173057632 337133404 /nfs/dbraw/zinc/13/34/04/337133404.db2.gz AOOPWTHDPZDTAI-HOCLYGCPSA-N 0 0 321.465 3.766 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCC2CCOCC2)o1 ZINC000173490005 337135546 /nfs/dbraw/zinc/13/55/46/337135546.db2.gz SBANPIIOORFJIA-MRXNPFEDSA-N 0 0 320.433 3.505 10 0 DHAERN C[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCS1 ZINC000173532951 337136300 /nfs/dbraw/zinc/13/63/00/337136300.db2.gz WGDWCFVDHIJEKR-JTQLQIEISA-N 0 0 322.817 3.573 10 0 DHAERN CC(C)[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000173631827 337136963 /nfs/dbraw/zinc/13/69/63/337136963.db2.gz LNWHMJKTRZXBFZ-GOSISDBHSA-N 0 0 311.429 3.556 10 0 DHAERN CCc1ccc([C@H]2C[C@@H](C)CCN2Cc2nnc(CC)n2C)o1 ZINC000174447399 337142037 /nfs/dbraw/zinc/14/20/37/337142037.db2.gz KDGQPDOWEMUJNB-DZGCQCFKSA-N 0 0 316.449 3.506 10 0 DHAERN CCO[C@H](CCNC(=O)N1CCC[C@H]1c1ccco1)C(C)C ZINC000174312123 337142433 /nfs/dbraw/zinc/14/24/33/337142433.db2.gz XEMATDVYOULJSH-LSDHHAIUSA-N 0 0 308.422 3.577 10 0 DHAERN Cc1cccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1Cl ZINC000174932240 337143658 /nfs/dbraw/zinc/14/36/58/337143658.db2.gz LEYYCFHQVRLEGI-UHFFFAOYSA-N 0 0 318.808 3.783 10 0 DHAERN C[C@@H]1CCC[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000174993904 337143967 /nfs/dbraw/zinc/14/39/67/337143967.db2.gz UBAXIHFJBOGPMH-TZMCWYRMSA-N 0 0 317.433 3.659 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CCCC(C)C ZINC000175510585 337147762 /nfs/dbraw/zinc/14/77/62/337147762.db2.gz OXKQJKWEKRDSTN-RDJZCZTQSA-N 0 0 320.481 3.580 10 0 DHAERN O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1CCOc2ccccc21 ZINC000175940021 337148905 /nfs/dbraw/zinc/14/89/05/337148905.db2.gz BRSGVQJKAUSZCE-REMYHPOOSA-N 0 0 311.356 3.869 10 0 DHAERN O=C(c1cccc2[nH]ccc21)N1CCCC[C@H]1c1nccs1 ZINC000176217328 337149725 /nfs/dbraw/zinc/14/97/25/337149725.db2.gz ZIHQXMZKWUTOPM-HNNXBMFYSA-N 0 0 311.410 3.992 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000176281001 337150611 /nfs/dbraw/zinc/15/06/11/337150611.db2.gz GHRZDLCKEBNQTC-QGZVFWFLSA-N 0 0 317.477 3.970 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000176406720 337151148 /nfs/dbraw/zinc/15/11/48/337151148.db2.gz VOBRHCWUANQVNS-DNVCBOLYSA-N 0 0 316.445 3.693 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177176946 337154604 /nfs/dbraw/zinc/15/46/04/337154604.db2.gz IGXBLMYOQNZRAZ-NVXWUHKLSA-N 0 0 305.466 3.789 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC000177198640 337154666 /nfs/dbraw/zinc/15/46/66/337154666.db2.gz HVXHKZGVSQDULE-KRWDZBQOSA-N 0 0 303.450 3.543 10 0 DHAERN CCCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177531428 337156459 /nfs/dbraw/zinc/15/64/59/337156459.db2.gz PZTYFFUCMUGNQB-RHSMWYFYSA-N 0 0 306.454 3.616 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000177958181 337159383 /nfs/dbraw/zinc/15/93/83/337159383.db2.gz TVRWLKPFOVXLNL-PXAZEXFGSA-N 0 0 301.386 3.521 10 0 DHAERN Cc1cc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910180 337166351 /nfs/dbraw/zinc/16/63/51/337166351.db2.gz LQFCCNXKURIYBB-RHSMWYFYSA-N 0 0 323.408 3.951 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cc(Br)cs2)o1 ZINC000220910339 337167065 /nfs/dbraw/zinc/16/70/65/337167065.db2.gz GOSMSBLTLVOIPT-MRVPVSSYSA-N 0 0 301.209 3.658 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000178886150 337167331 /nfs/dbraw/zinc/16/73/31/337167331.db2.gz MQVQCRVLQVXDPT-CVEARBPZSA-N 0 0 317.477 3.825 10 0 DHAERN CCC[C@H](C(=O)N1CCC[C@H](n2ccnc2CC)C1)C(C)C ZINC000179409879 337167735 /nfs/dbraw/zinc/16/77/35/337167735.db2.gz DOTVUEKDQCVAEH-HOTGVXAUSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180116920 337171517 /nfs/dbraw/zinc/17/15/17/337171517.db2.gz PIWYIGMWXUOETO-BXUZGUMPSA-N 0 0 308.491 3.881 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000180362390 337173871 /nfs/dbraw/zinc/17/38/71/337173871.db2.gz PLNMSVZNSUZLQP-HOTGVXAUSA-N 0 0 321.465 3.766 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000180472015 337174797 /nfs/dbraw/zinc/17/47/97/337174797.db2.gz AYKCBZJGWRWYQA-SJORKVTESA-N 0 0 305.466 3.962 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000181184350 337182207 /nfs/dbraw/zinc/18/22/07/337182207.db2.gz OMOLRZWDMBLOQL-KBPBESRZSA-N 0 0 308.491 3.997 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000181863793 337185009 /nfs/dbraw/zinc/18/50/09/337185009.db2.gz CUNJCUFSVUPVGD-QWHCGFSZSA-N 0 0 324.387 3.612 10 0 DHAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000182441810 337186395 /nfs/dbraw/zinc/18/63/95/337186395.db2.gz HAIWMOKRRPXSFL-AWEZNQCLSA-N 0 0 301.390 3.517 10 0 DHAERN COc1ccc(-c2nc(CN[C@H](C)c3cccs3)no2)cc1 ZINC000182551293 337188854 /nfs/dbraw/zinc/18/88/54/337188854.db2.gz DBHBGVIJHSRQDB-LLVKDONJSA-N 0 0 315.398 3.658 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ncc(C(C)C)s3)CCO2)n1 ZINC000183034175 337191075 /nfs/dbraw/zinc/19/10/75/337191075.db2.gz VPNJNLDSFQBZML-GFCCVEGCSA-N 0 0 323.487 3.605 10 0 DHAERN Cc1cc(C)cc([C@@H]2CCN(Cc3nnc(C(C)C)n3C)C2)c1 ZINC000183476588 337191870 /nfs/dbraw/zinc/19/18/70/337191870.db2.gz HLCMGIKFCKNFRZ-MRXNPFEDSA-N 0 0 312.461 3.545 10 0 DHAERN O=C(Nc1ccc(O)cc1F)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000183270474 337192536 /nfs/dbraw/zinc/19/25/36/337192536.db2.gz WMTISPGTSUMMNT-PBHICJAKSA-N 0 0 315.344 3.638 10 0 DHAERN Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H](C)CC(C)(C)C3)CC2)n1 ZINC000183274408 337192818 /nfs/dbraw/zinc/19/28/18/337192818.db2.gz WYPGBHFYZJWZML-SWLSCSKDSA-N 0 0 319.449 3.546 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CC(C)(C)C1 ZINC000183888838 337195144 /nfs/dbraw/zinc/19/51/44/337195144.db2.gz IGXNTCMQKLMRTJ-WBVHZDCISA-N 0 0 317.477 3.584 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)CC(C)(C)C1 ZINC000183885301 337195150 /nfs/dbraw/zinc/19/51/50/337195150.db2.gz FQWLMRRINLDFED-GDBMZVCRSA-N 0 0 317.477 3.589 10 0 DHAERN CCC1(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)CCCCC1 ZINC000184116150 337196298 /nfs/dbraw/zinc/19/62/98/337196298.db2.gz YTPJHSDSNFUGOO-INIZCTEOSA-N 0 0 303.450 3.716 10 0 DHAERN Cc1cccnc1/C=C/C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000185176467 337202531 /nfs/dbraw/zinc/20/25/31/337202531.db2.gz WEKBVJRNOKPGJM-DVQDXYAYSA-N 0 0 322.408 3.822 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1CCCC2(CC2)C1 ZINC000185618530 337249692 /nfs/dbraw/zinc/24/96/92/337249692.db2.gz NXQKVYRVDGLJPR-INIZCTEOSA-N 0 0 302.393 3.789 10 0 DHAERN CCSc1cccc(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000186206795 337254650 /nfs/dbraw/zinc/25/46/50/337254650.db2.gz KFYOXZJOQPKUIR-UHFFFAOYSA-N 0 0 315.486 3.912 10 0 DHAERN COCCC1(CNC(=O)N[C@H](C)c2ccc(C)o2)CCCCC1 ZINC000186340519 337256581 /nfs/dbraw/zinc/25/65/81/337256581.db2.gz KZDKJKQUYPFMOK-OAHLLOKOSA-N 0 0 322.449 3.935 10 0 DHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000186563307 337257638 /nfs/dbraw/zinc/25/76/38/337257638.db2.gz FWNBQWVILNBECV-YJLNNSPDSA-N 0 0 311.429 3.732 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000187512746 337266588 /nfs/dbraw/zinc/26/65/88/337266588.db2.gz UMKMPVAYHWRGMJ-OIISXLGYSA-N 0 0 307.478 3.866 10 0 DHAERN CCC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739021 337269645 /nfs/dbraw/zinc/26/96/45/337269645.db2.gz XCFADBHWMRSOBT-OCCSQVGLSA-N 0 0 304.463 3.868 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000188051142 337270324 /nfs/dbraw/zinc/27/03/24/337270324.db2.gz AUTOBHUPVQMEPD-MFKMUULPSA-N 0 0 301.308 3.545 10 0 DHAERN C[C@H](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)CC(C)(C)C ZINC000188312342 337271891 /nfs/dbraw/zinc/27/18/91/337271891.db2.gz IZZLJBKAKXLLGU-CQSZACIVSA-N 0 0 320.481 3.761 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000715 337276254 /nfs/dbraw/zinc/27/62/54/337276254.db2.gz CJCISEKOECECSD-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN Fc1ccccc1-c1noc(CN2CCC[C@H]2c2ccco2)n1 ZINC000189033620 337276536 /nfs/dbraw/zinc/27/65/36/337276536.db2.gz YUDOWOYHCQDLQO-AWEZNQCLSA-N 0 0 313.332 3.806 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@H](Oc2cccnc2)C1 ZINC000189433427 337279703 /nfs/dbraw/zinc/27/97/03/337279703.db2.gz VCMGFMKZDUUFCI-IBGZPJMESA-N 0 0 322.408 3.643 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000189453289 337279908 /nfs/dbraw/zinc/27/99/08/337279908.db2.gz FCCQQEVRPRFXCA-MFKMUULPSA-N 0 0 320.389 3.703 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000189733014 337282446 /nfs/dbraw/zinc/28/24/46/337282446.db2.gz YPFXIIYMHAJAAV-WBMJQRKESA-N 0 0 322.449 3.740 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000190076112 337284392 /nfs/dbraw/zinc/28/43/92/337284392.db2.gz QLVKOQKLOOSENV-YJBOKZPZSA-N 0 0 301.430 3.630 10 0 DHAERN c1csc([C@@H]2CCCC[N@H+]2CC2CCC3(CC2)OCCO3)n1 ZINC000190206157 337285651 /nfs/dbraw/zinc/28/56/51/337285651.db2.gz JRYDTFMEDPUMAP-HNNXBMFYSA-N 0 0 322.474 3.603 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000190577540 337288913 /nfs/dbraw/zinc/28/89/13/337288913.db2.gz QXXQTOWLOODVRT-JQWIXIFHSA-N 0 0 316.228 3.767 10 0 DHAERN C[C@@H](N[C@@H](C)c1csc(Cl)c1)c1nnc2n1CCCC2 ZINC000191317432 337295946 /nfs/dbraw/zinc/29/59/46/337295946.db2.gz WTOBZONEUSYHMP-VHSXEESVSA-N 0 0 310.854 3.741 10 0 DHAERN Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000191705372 337300774 /nfs/dbraw/zinc/30/07/74/337300774.db2.gz MHESFIVFTHQBEW-CYBMUJFWSA-N 0 0 316.426 3.974 10 0 DHAERN CSC1(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC000191871695 337301785 /nfs/dbraw/zinc/30/17/85/337301785.db2.gz DOAPIMRDGIXIDS-GFCCVEGCSA-N 0 0 324.515 3.868 10 0 DHAERN O=C(c1ccc2cc[nH]c2c1)N(c1ccccc1)[C@H]1CCOC1 ZINC000192065184 337302404 /nfs/dbraw/zinc/30/24/04/337302404.db2.gz XKJRSRGKJSEGLE-KRWDZBQOSA-N 0 0 306.365 3.604 10 0 DHAERN Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000192105715 337302876 /nfs/dbraw/zinc/30/28/76/337302876.db2.gz FGEYPYBRQBCWIH-IBGZPJMESA-N 0 0 321.428 3.631 10 0 DHAERN Cc1nc2cc(NC(=O)N[C@@H]3CCOc4ccccc43)ccc2o1 ZINC000193122908 337308430 /nfs/dbraw/zinc/30/84/30/337308430.db2.gz PTLRWASFFKZXRR-CQSZACIVSA-N 0 0 323.352 3.782 10 0 DHAERN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@@H](C)C1CC1 ZINC000192939638 337308571 /nfs/dbraw/zinc/30/85/71/337308571.db2.gz SKDFOBJFZMWRMG-LBPRGKRZSA-N 0 0 303.406 3.697 10 0 DHAERN CC(C)=CCC[C@H](C)CCN1CCOC[C@H]1c1nc(C)no1 ZINC000193314343 337309772 /nfs/dbraw/zinc/30/97/72/337309772.db2.gz WHGMKOIBFHJLNS-HOCLYGCPSA-N 0 0 307.438 3.524 10 0 DHAERN O=C1C[C@@H](C/C(Br)=C(/Cl)c2ccccc2)O1 ZINC000584611117 337372127 /nfs/dbraw/zinc/37/21/27/337372127.db2.gz IWIPJXMEMWEKIA-IHHQEMEHSA-N 0 0 301.567 3.695 10 0 DHAERN COC(=O)C(Br)=CNc1cccc(C(F)(F)F)c1 ZINC000584611438 337372142 /nfs/dbraw/zinc/37/21/42/337372142.db2.gz GQHXISVBOVDDGN-TWGQIWQCSA-N 0 0 324.096 3.527 10 0 DHAERN S=C1c2ccccc2OCCN1Cc1ccc(Cl)cc1 ZINC000584614978 337372714 /nfs/dbraw/zinc/37/27/14/337372714.db2.gz CTQCMJRJDWOBSL-UHFFFAOYSA-N 0 0 303.814 3.910 10 0 DHAERN CCOC(=O)[C@H]1Oc2ccc(Oc3ccc(CC)cc3)cc2O1 ZINC000584615128 337372806 /nfs/dbraw/zinc/37/28/06/337372806.db2.gz OKUNEHMHIQMPPX-SFHVURJKSA-N 0 0 314.337 3.702 10 0 DHAERN C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H]1OC=C[C@@]12O ZINC000584617695 337373149 /nfs/dbraw/zinc/37/31/49/337373149.db2.gz JYUCMLWWLOUJEY-XVMXLUHGSA-N 0 0 312.409 3.502 10 0 DHAERN CCN(CCCNc1ccnc2cc(Cl)ccc21)C(C)=O ZINC000584591097 337373405 /nfs/dbraw/zinc/37/34/05/337373405.db2.gz GPWNAPRJKRFHFE-UHFFFAOYSA-N 0 0 305.809 3.559 10 0 DHAERN COc1ccc(-c2csc(NC(C)=O)n2)cc1C(F)(F)F ZINC000584591050 337373457 /nfs/dbraw/zinc/37/34/57/337373457.db2.gz ATBWJGGMNPMJMO-UHFFFAOYSA-N 0 0 316.304 3.796 10 0 DHAERN COC(=O)CCCCCc1ccc(Br)c(F)c1 ZINC000584595197 337373977 /nfs/dbraw/zinc/37/39/77/337373977.db2.gz NVXVQJJZHQPRLY-UHFFFAOYSA-N 0 0 303.171 3.864 10 0 DHAERN C[C@@H](O)c1c(F)cc(Br)cc1OC1CCCC1 ZINC000584595968 337374079 /nfs/dbraw/zinc/37/40/79/337374079.db2.gz DXGTVFROTHWRLV-MRVPVSSYSA-N 0 0 303.171 3.963 10 0 DHAERN COC(=O)c1cc(-c2ncccc2F)c(Cl)cc1Cl ZINC000584597290 337374391 /nfs/dbraw/zinc/37/43/91/337374391.db2.gz NPKUKAKAYCPUGP-UHFFFAOYSA-N 0 0 300.116 3.981 10 0 DHAERN O=C1Nc2cc(F)ccc2O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584626483 337376034 /nfs/dbraw/zinc/37/60/34/337376034.db2.gz OPCHDRUGPNKBCE-CYBMUJFWSA-N 0 0 311.234 3.917 10 0 DHAERN CCc1ccc(OCC(O)COc2ccc(CC)cc2)cc1 ZINC000584627941 337376276 /nfs/dbraw/zinc/37/62/76/337376276.db2.gz WIURTXMYMGOJQM-UHFFFAOYSA-N 0 0 300.398 3.630 10 0 DHAERN C[C@@](O)(c1cccc(O)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584630056 337376727 /nfs/dbraw/zinc/37/67/27/337376727.db2.gz UZTDOKIJIPAWAA-VQTJNVASSA-N 0 0 305.377 3.827 10 0 DHAERN CN(C(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O)c1ccccc1 ZINC000584633085 337377446 /nfs/dbraw/zinc/37/74/46/337377446.db2.gz VZNHZEJPMBBRIV-UHFFFAOYSA-N 0 0 322.339 3.870 10 0 DHAERN CC[C@@](O)(CC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 ZINC000584637137 337379426 /nfs/dbraw/zinc/37/94/26/337379426.db2.gz YEVIHJCBAZQOQP-QGZVFWFLSA-N 0 0 309.837 3.586 10 0 DHAERN Oc1cc(CC(F)(F)F)c(-c2cc3n[nH]cc3cn2)cc1F ZINC000584648649 337380367 /nfs/dbraw/zinc/38/03/67/337380367.db2.gz NMLUEANGHQDVRD-UHFFFAOYSA-N 0 0 311.238 3.574 10 0 DHAERN CCOP(=O)(OCC)[C@@H](CCc1ccccc1)OC(C)=O ZINC000584650850 337380944 /nfs/dbraw/zinc/38/09/44/337380944.db2.gz JMZMIYZNFGGSLV-HNNXBMFYSA-N 0 0 314.318 3.775 10 0 DHAERN CCC1CCC(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000106538582 337387010 /nfs/dbraw/zinc/38/70/10/337387010.db2.gz VDFLONXSEDYVAS-NRXISQOPSA-N 0 0 304.438 3.615 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221280 337387034 /nfs/dbraw/zinc/38/70/34/337387034.db2.gz BQOMXPIZUSQLJK-HNNXBMFYSA-N 0 0 318.490 3.783 10 0 DHAERN CCc1ccsc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000109672888 337388493 /nfs/dbraw/zinc/38/84/93/337388493.db2.gz XQEMXXVWXSBVGB-CQSZACIVSA-N 0 0 317.458 3.638 10 0 DHAERN O=C(c1cccc2ccccc21)N1CCO[C@@H](c2nccs2)C1 ZINC000110884926 337389231 /nfs/dbraw/zinc/38/92/31/337389231.db2.gz KZRTZTFILZRHMM-MRXNPFEDSA-N 0 0 324.405 3.510 10 0 DHAERN c1coc(-c2noc(CN3CCC[C@@H]3c3cccs3)n2)c1 ZINC000029962651 337389880 /nfs/dbraw/zinc/38/98/80/337389880.db2.gz ABRRNGDYQRIHIB-LLVKDONJSA-N 0 0 301.371 3.728 10 0 DHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888095 337391280 /nfs/dbraw/zinc/39/12/80/337391280.db2.gz BJPNTLULKCALQK-GOSISDBHSA-N 0 0 320.396 3.568 10 0 DHAERN CCOc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1OC ZINC000116045134 337392259 /nfs/dbraw/zinc/39/22/59/337392259.db2.gz UURLKCJRBYCQIF-CQSZACIVSA-N 0 0 315.369 3.664 10 0 DHAERN CCCCC1CCC(C(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC1 ZINC000116123288 337392383 /nfs/dbraw/zinc/39/23/83/337392383.db2.gz BRICWDBGPHWJJR-OFLPRAFFSA-N 0 0 317.477 3.733 10 0 DHAERN CC[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116121780 337392402 /nfs/dbraw/zinc/39/24/02/337392402.db2.gz QGJWATQOQYIUIR-IAGOWNOFSA-N 0 0 317.477 3.733 10 0 DHAERN O=C(CN1CCC[C@@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288538 337392433 /nfs/dbraw/zinc/39/24/33/337392433.db2.gz IKNVIASWFRXXCY-CQSZACIVSA-N 0 0 322.767 3.848 10 0 DHAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)cnn1C(C)(C)C ZINC000116211784 337392514 /nfs/dbraw/zinc/39/25/14/337392514.db2.gz PCPDFOOCWWSSKT-CQSZACIVSA-N 0 0 301.390 3.517 10 0 DHAERN COCc1cccc(NC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116483238 337392649 /nfs/dbraw/zinc/39/26/49/337392649.db2.gz HSGWCXNCSSFPEH-HNNXBMFYSA-N 0 0 300.358 3.795 10 0 DHAERN Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000116406098 337392719 /nfs/dbraw/zinc/39/27/19/337392719.db2.gz UFVYMLTWBOODPK-OAHLLOKOSA-N 0 0 302.349 3.774 10 0 DHAERN C[C@@H](Cc1ccccc1F)NC(=O)N[C@@H](C)c1cccs1 ZINC000054621867 337394490 /nfs/dbraw/zinc/39/44/90/337394490.db2.gz NQEWCFTVGHKDMO-RYUDHWBXSA-N 0 0 306.406 3.879 10 0 DHAERN O=C(c1ccccc1Cl)N1CCC(c2nccs2)CC1 ZINC000040623454 337398750 /nfs/dbraw/zinc/39/87/50/337398750.db2.gz OXZAJUYJNHWBSX-UHFFFAOYSA-N 0 0 306.818 3.816 10 0 DHAERN COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000123543992 337399797 /nfs/dbraw/zinc/39/97/97/337399797.db2.gz RXMFRLIGZWWILB-CABCVRRESA-N 0 0 322.449 3.507 10 0 DHAERN CCC1CCC(NC(=O)c2c(C)onc2-c2ccccn2)CC1 ZINC000124321441 337404833 /nfs/dbraw/zinc/40/48/33/337404833.db2.gz VPORNDLZZGQNRL-UHFFFAOYSA-N 0 0 313.401 3.744 10 0 DHAERN C[C@H](NC(=O)CSc1ccncc1)c1ccc(F)cc1Cl ZINC000124341644 337404972 /nfs/dbraw/zinc/40/49/72/337404972.db2.gz YDMGVLRXDFXYME-JTQLQIEISA-N 0 0 324.808 3.844 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2CCC(F)(F)F)O1 ZINC000124655428 337406579 /nfs/dbraw/zinc/40/65/79/337406579.db2.gz ZEHUZEJNONVHML-GXFFZTMASA-N 0 0 301.308 3.688 10 0 DHAERN CC[C@@H](CC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000125304110 337410643 /nfs/dbraw/zinc/41/06/43/337410643.db2.gz ICXBRXWSXLIDNJ-HNNXBMFYSA-N 0 0 311.429 3.700 10 0 DHAERN CC[C@H](CC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000125304344 337410728 /nfs/dbraw/zinc/41/07/28/337410728.db2.gz ICXBRXWSXLIDNJ-OAHLLOKOSA-N 0 0 311.429 3.700 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2Br)O1 ZINC000126773308 337417718 /nfs/dbraw/zinc/41/77/18/337417718.db2.gz NIFFHODVPFALAU-HQJQHLMTSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)O1 ZINC000127195736 337419541 /nfs/dbraw/zinc/41/95/41/337419541.db2.gz CFLMTLZHCYRZBO-XPGWFJOJSA-N 0 0 321.420 3.728 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)cc1F ZINC000048060174 337432309 /nfs/dbraw/zinc/43/23/09/337432309.db2.gz YZUFHIRZTLRPPP-NEPJUHHUSA-N 0 0 320.364 3.857 10 0 DHAERN CCCc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936055 337435342 /nfs/dbraw/zinc/43/53/42/337435342.db2.gz MRIMTPRUEFZFRA-CABCVRRESA-N 0 0 312.461 3.979 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H](C)CC(C)C)C2)n1 ZINC000133349008 337445140 /nfs/dbraw/zinc/44/51/40/337445140.db2.gz KXKQYUMMMUKQPT-JSGCOSHPSA-N 0 0 309.479 3.775 10 0 DHAERN O=C(Nc1ccc(F)cc1Cl)N[C@H]1COc2ccccc21 ZINC000058604625 337458600 /nfs/dbraw/zinc/45/86/00/337458600.db2.gz PHEWHLPZJKMIEM-ZDUSSCGKSA-N 0 0 306.724 3.734 10 0 DHAERN CC(C)(C)c1nc(CN2CCCC[C@@H]2c2nccs2)no1 ZINC000195359875 337466241 /nfs/dbraw/zinc/46/62/41/337466241.db2.gz CVGJJFGXDSSNDZ-LLVKDONJSA-N 0 0 306.435 3.551 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC000245535620 337474224 /nfs/dbraw/zinc/47/42/24/337474224.db2.gz ZAIVTMXVQAKEDM-KZNAEPCWSA-N 0 0 317.477 3.645 10 0 DHAERN O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246211615 337522586 /nfs/dbraw/zinc/52/25/86/337522586.db2.gz WRBPCRUYADJEEY-UPJWGTAASA-N 0 0 307.356 3.573 10 0 DHAERN O=C(Cc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000067793999 337544143 /nfs/dbraw/zinc/54/41/43/337544143.db2.gz HOFKYBPJWDIESU-HNNXBMFYSA-N 0 0 301.773 3.523 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(Cn3cccn3)cc2)o1 ZINC000069201103 337545636 /nfs/dbraw/zinc/54/56/36/337545636.db2.gz JFGUUUBJMKEONB-CQSZACIVSA-N 0 0 324.384 3.716 10 0 DHAERN Brc1ccc(CN[C@@H]2COc3ccccc32)s1 ZINC000070070199 337546289 /nfs/dbraw/zinc/54/62/89/337546289.db2.gz KSACONNGBAYYEE-LLVKDONJSA-N 0 0 310.216 3.734 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCS1)c1cccc(Br)c1 ZINC000070436846 337546463 /nfs/dbraw/zinc/54/64/63/337546463.db2.gz DDUFGTDQCCJFCM-CABZTGNLSA-N 0 0 314.248 3.522 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCS1)c1cccc(Br)c1 ZINC000070436848 337546471 /nfs/dbraw/zinc/54/64/71/337546471.db2.gz DDUFGTDQCCJFCM-JOYOIKCWSA-N 0 0 314.248 3.522 10 0 DHAERN Fc1ccccc1NC1CCN(Cc2cccc(Cl)n2)CC1 ZINC000072688339 337548242 /nfs/dbraw/zinc/54/82/42/337548242.db2.gz ZDSFEKUJTLMPJN-UHFFFAOYSA-N 0 0 319.811 3.951 10 0 DHAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC[C@H]1c1ccco1 ZINC000247433975 337559596 /nfs/dbraw/zinc/55/95/96/337559596.db2.gz MLUFPCMGUZMOFU-ZWOKBUDYSA-N 0 0 307.393 3.847 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000076103647 337565211 /nfs/dbraw/zinc/56/52/11/337565211.db2.gz GJRBWPVSFXESQP-ZDUSSCGKSA-N 0 0 323.396 3.762 10 0 DHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000249635625 337570882 /nfs/dbraw/zinc/57/08/82/337570882.db2.gz SACLACUEKVTFKK-UTJXIGIESA-N 0 0 305.393 3.550 10 0 DHAERN CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000076958403 337574475 /nfs/dbraw/zinc/57/44/75/337574475.db2.gz UDZQGNSIXXBXPC-STQMWFEESA-N 0 0 319.426 3.955 10 0 DHAERN C[C@@H]1COC[C@H](C)N1Cc1csc(-c2ccc(F)cc2)n1 ZINC000077366551 337579214 /nfs/dbraw/zinc/57/92/14/337579214.db2.gz AODDPGGVKMRHKO-TXEJJXNPSA-N 0 0 306.406 3.558 10 0 DHAERN COCc1cnc(NCc2ccc(Br)s2)s1 ZINC000285017189 337593386 /nfs/dbraw/zinc/59/33/86/337593386.db2.gz AMRKFLRYNPTQEY-UHFFFAOYSA-N 0 0 319.249 3.726 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccccc1F)C1CCCC1 ZINC000162421552 337619128 /nfs/dbraw/zinc/61/91/28/337619128.db2.gz WMMLEIMUQAPJDM-AEFFLSMTSA-N 0 0 307.409 3.580 10 0 DHAERN CCC[C@H]([NH2+][C@H](C)[C@@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000263380178 337627148 /nfs/dbraw/zinc/62/71/48/337627148.db2.gz BJULSCYZXJMUER-WZRBSPASSA-N 0 0 306.431 3.631 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000263384096 337627346 /nfs/dbraw/zinc/62/73/46/337627346.db2.gz CKCSIWFOWLXUEF-ZWKOTPCHSA-N 0 0 313.372 3.950 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(F)cc1F)C(C)(C)C ZINC000162533098 337635137 /nfs/dbraw/zinc/63/51/37/337635137.db2.gz SVHHPLXKAKSBRK-GDBMZVCRSA-N 0 0 313.388 3.575 10 0 DHAERN CC(C)C[C@H](NC(=O)[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000080534518 337678404 /nfs/dbraw/zinc/67/84/04/337678404.db2.gz JXJIRMYZDNODIO-IRXDYDNUSA-N 0 0 311.429 3.664 10 0 DHAERN CC(C)[C@@H](C)NC(=O)CCc1cc(Br)cs1 ZINC000107102320 337823621 /nfs/dbraw/zinc/82/36/21/337823621.db2.gz USYDOVREFXXOMU-SECBINFHSA-N 0 0 304.253 3.604 10 0 DHAERN C[C@@H](NC(=O)c1cccc2c1OCO2)c1ccc(F)c(Cl)c1 ZINC000108859520 337842740 /nfs/dbraw/zinc/84/27/40/337842740.db2.gz XWEXSJPSUUBOPP-SECBINFHSA-N 0 0 321.735 3.699 10 0 DHAERN O=C(/C=C/SCc1ccco1)N[C@H]1CCOc2ccccc21 ZINC000084921024 337846255 /nfs/dbraw/zinc/84/62/55/337846255.db2.gz ILSDBLIWJDBMFW-SHQCLWGWSA-N 0 0 315.394 3.667 10 0 DHAERN CCc1ncc(NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000119258863 337855639 /nfs/dbraw/zinc/85/56/39/337855639.db2.gz AJUILRVLAFZBQU-SECBINFHSA-N 0 0 322.771 3.714 10 0 DHAERN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)(C)C ZINC000119452519 337859263 /nfs/dbraw/zinc/85/92/63/337859263.db2.gz NCNMJJRUANDSOD-LBPRGKRZSA-N 0 0 317.408 3.885 10 0 DHAERN Cc1cccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202101 337879180 /nfs/dbraw/zinc/87/91/80/337879180.db2.gz NBWZWQMYMUPHJO-MRXNPFEDSA-N 0 0 313.788 3.911 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000120883627 337880066 /nfs/dbraw/zinc/88/00/66/337880066.db2.gz UZFADHDUEWECEH-AWEZNQCLSA-N 0 0 302.761 3.904 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCc2cc(F)ccc2C1 ZINC000122132430 337908439 /nfs/dbraw/zinc/90/84/39/337908439.db2.gz UKCCXZJNNHWBGB-ZWKOTPCHSA-N 0 0 301.405 3.927 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122372557 337916203 /nfs/dbraw/zinc/91/62/03/337916203.db2.gz BUZNZFGQXMKNNW-INIZCTEOSA-N 0 0 320.481 3.521 10 0 DHAERN CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000122792904 337925436 /nfs/dbraw/zinc/92/54/36/337925436.db2.gz PRZFSLNGCBDJCJ-GJZGRUSLSA-N 0 0 307.434 3.714 10 0 DHAERN CCC1(CNC(=O)N[C@H](C)c2ccc(OC)c(OC)c2)CCC1 ZINC000084143751 338000371 /nfs/dbraw/zinc/00/03/71/338000371.db2.gz IFKFFMFTBRUARE-CYBMUJFWSA-N 0 0 320.433 3.644 10 0 DHAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C(C)C)cc1 ZINC000086339349 338015286 /nfs/dbraw/zinc/01/52/86/338015286.db2.gz GTYSAQLYHIRNBV-KGLIPLIRSA-N 0 0 314.433 3.585 10 0 DHAERN Cc1c(C(=O)N[C@H]2CCCC[C@@H]2CO)sc2cccc(F)c12 ZINC000151000499 338156457 /nfs/dbraw/zinc/15/64/57/338156457.db2.gz QRABJKONKMQXDY-YPMHNXCESA-N 0 0 321.417 3.630 10 0 DHAERN Fc1ccc(Br)c(F)c1CN1C[C@H]2CCC[C@@H]21 ZINC000500984307 340071420 /nfs/dbraw/zinc/07/14/20/340071420.db2.gz NOKUAVVDSTWWSM-PELKAZGASA-N 0 0 302.162 3.712 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccsc2Br)o1 ZINC000449189979 338600805 /nfs/dbraw/zinc/60/08/05/338600805.db2.gz HZVYYRQCGDUOIY-QMMMGPOBSA-N 0 0 314.204 3.903 10 0 DHAERN CSC1(CNC(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000194922339 338779278 /nfs/dbraw/zinc/77/92/78/338779278.db2.gz DTJVNMNADKWFRK-VIFPVBQESA-N 0 0 316.829 3.735 10 0 DHAERN COC(=O)c1nc(N[C@@H]2CCCc3ccccc32)sc1C ZINC000164630350 339012887 /nfs/dbraw/zinc/01/28/87/339012887.db2.gz AKIJJEZWMXSDHW-CYBMUJFWSA-N 0 0 302.399 3.728 10 0 DHAERN COc1ccc(OC(F)F)c(N[C@H](C)c2cncs2)c1 ZINC000165655601 339052906 /nfs/dbraw/zinc/05/29/06/339052906.db2.gz CCPKGXQEFOAVJH-MRVPVSSYSA-N 0 0 300.330 3.926 10 0 DHAERN CC(C)n1ccc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000300791561 340240985 /nfs/dbraw/zinc/24/09/85/340240985.db2.gz CASSFFQTXPNMQJ-AWEZNQCLSA-N 0 0 322.453 3.523 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cc(Cl)ccc1F ZINC000172952401 340349663 /nfs/dbraw/zinc/34/96/63/340349663.db2.gz XBWLQMWFMHYFLK-GFCCVEGCSA-N 0 0 321.779 3.814 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000172964034 340350315 /nfs/dbraw/zinc/35/03/15/340350315.db2.gz YRFBZVRYEQHNAD-QGZVFWFLSA-N 0 0 311.425 3.731 10 0 DHAERN C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000173009389 340353428 /nfs/dbraw/zinc/35/34/28/340353428.db2.gz SGLPTKXNXZVLNO-RCDYEMGKSA-N 0 0 301.430 3.596 10 0 DHAERN C[C@@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCS1 ZINC000173067336 340357277 /nfs/dbraw/zinc/35/72/77/340357277.db2.gz QLNDMXBCLWJSHW-ODIFPOPNSA-N 0 0 303.471 3.924 10 0 DHAERN CC(C)CN(C(=O)N[C@H](C)COCc1ccccc1)C(C)C ZINC000173337607 340362913 /nfs/dbraw/zinc/36/29/13/340362913.db2.gz BLEHJAGBYHYVLA-MRXNPFEDSA-N 0 0 306.450 3.668 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCCCC(C)(C)CO)cc1 ZINC000173399865 340364153 /nfs/dbraw/zinc/36/41/53/340364153.db2.gz KOKFIHUFQQJQDG-HNNXBMFYSA-N 0 0 320.477 3.969 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCc2ccoc2)o1 ZINC000174330929 340386150 /nfs/dbraw/zinc/38/61/50/340386150.db2.gz FNQCKLWZFWBJTP-HNNXBMFYSA-N 0 0 302.374 3.872 10 0 DHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](C)c2ccc(OC)cc2)C1 ZINC000174372025 340387018 /nfs/dbraw/zinc/38/70/18/340387018.db2.gz PCOMDTSRZSZHAR-YSVLISHTSA-N 0 0 321.486 3.931 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000174601217 340392791 /nfs/dbraw/zinc/39/27/91/340392791.db2.gz MDMHHNJHJNMPGO-NWANDNLSSA-N 0 0 307.384 3.963 10 0 DHAERN CCC[C@@H](C)CC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000175176417 340404413 /nfs/dbraw/zinc/40/44/13/340404413.db2.gz UHFDDIVKJXKIJJ-CYBMUJFWSA-N 0 0 307.438 3.905 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)Oc2ccccc2F)o1 ZINC000175339439 340409759 /nfs/dbraw/zinc/40/97/59/340409759.db2.gz QRTXVVGLTGHGQO-QWHCGFSZSA-N 0 0 320.364 3.555 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)Oc2cccc(F)c2)o1 ZINC000175343817 340409857 /nfs/dbraw/zinc/40/98/57/340409857.db2.gz SIOAFOWWFMOESH-CHWSQXEVSA-N 0 0 320.364 3.555 10 0 DHAERN CCC[C@H](CCO)CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000176189230 340425607 /nfs/dbraw/zinc/42/56/07/340425607.db2.gz ZRMQZRWVMUGQNH-LZQZEXGQSA-N 0 0 317.473 3.828 10 0 DHAERN C[C@H](N[C@@H]1CCc2c1cccc2Cl)c1nnc2n1CCCC2 ZINC000178075470 340446605 /nfs/dbraw/zinc/44/66/05/340446605.db2.gz AIWNLJYSOYBDBS-XHDPSFHLSA-N 0 0 316.836 3.606 10 0 DHAERN CC(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)c2cccs2)c1 ZINC000178322148 340448597 /nfs/dbraw/zinc/44/85/97/340448597.db2.gz CACPCJJLGLFTAX-VIFPVBQESA-N 0 0 322.817 3.851 10 0 DHAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000178938842 340452514 /nfs/dbraw/zinc/45/25/14/340452514.db2.gz VJJJDZVAGVKKOK-KDOFPFPSSA-N 0 0 322.408 3.688 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@@H]2C)cc1OC ZINC000184665076 340494925 /nfs/dbraw/zinc/49/49/25/340494925.db2.gz VVLLCLVYMLJCIS-IHRRRGAJSA-N 0 0 305.418 3.707 10 0 DHAERN CC(C)[C@@H]1C[C@H]1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000185286108 340499629 /nfs/dbraw/zinc/49/96/29/340499629.db2.gz HKTYHSJSPHZNAW-GVDBMIGSSA-N 0 0 301.430 3.657 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000186526205 340513927 /nfs/dbraw/zinc/51/39/27/340513927.db2.gz RFSDBFIVFJLVTD-PELKAZGASA-N 0 0 317.738 3.915 10 0 DHAERN CCCOc1ccc(Cl)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000189022045 340524672 /nfs/dbraw/zinc/52/46/72/340524672.db2.gz CTJALKPUFCYFGB-DGCLKSJQSA-N 0 0 311.809 3.882 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N2CCSCC[C@@H]2C)cc1 ZINC000190464274 340545405 /nfs/dbraw/zinc/54/54/05/340545405.db2.gz CMSNADGGILYZGN-KBPBESRZSA-N 0 0 306.475 3.847 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)CCOCC(F)F)cc1 ZINC000190566099 340545968 /nfs/dbraw/zinc/54/59/68/340545968.db2.gz YMWCLIVOUACEOU-CYBMUJFWSA-N 0 0 313.388 3.734 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc(Cl)cc1Cl ZINC000190581492 340546026 /nfs/dbraw/zinc/54/60/26/340546026.db2.gz FSZPNPOFKKLWFA-KWBADKCTSA-N 0 0 316.228 3.986 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000190581434 340546084 /nfs/dbraw/zinc/54/60/84/340546084.db2.gz FSZPNPOFKKLWFA-OPQQBVKSSA-N 0 0 316.228 3.986 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)CCS1 ZINC000192425363 340566944 /nfs/dbraw/zinc/56/69/44/340566944.db2.gz DAMHVCOKFGVOHO-CJNGLKHVSA-N 0 0 304.459 3.601 10 0 DHAERN Cc1ccc2cc(C(=O)N[C@@H]3CCOc4ccccc43)[nH]c2c1 ZINC000192736837 340569373 /nfs/dbraw/zinc/56/93/73/340569373.db2.gz JFYOACKSOJKUOR-OAHLLOKOSA-N 0 0 306.365 3.730 10 0 DHAERN Cc1nc2ccc(NC(=O)N[C@@H]3CCOc4ccccc43)cc2o1 ZINC000192937363 340570796 /nfs/dbraw/zinc/57/07/96/340570796.db2.gz PJLIBDIHOQUSRK-CQSZACIVSA-N 0 0 323.352 3.782 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021699 340588115 /nfs/dbraw/zinc/58/81/15/340588115.db2.gz RAYSWJCINNFMJJ-GJZGRUSLSA-N 0 0 312.413 3.607 10 0 DHAERN CSC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000194536197 340593272 /nfs/dbraw/zinc/59/32/72/340593272.db2.gz KESUVHDPNVWWJU-HZPDHXFCSA-N 0 0 303.471 3.925 10 0 DHAERN CC1(C)[C@H](Nc2cccc(OC(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000227062012 340594724 /nfs/dbraw/zinc/59/47/24/340594724.db2.gz ZWHFUQKSOKUJLF-YNEHKIRRSA-N 0 0 301.308 3.811 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000238017466 340675498 /nfs/dbraw/zinc/67/54/98/340675498.db2.gz PXTLNVVRFHCFMX-PKOBYXMFSA-N 0 0 322.408 3.761 10 0 DHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000041117071 340709482 /nfs/dbraw/zinc/70/94/82/340709482.db2.gz VNUYKMYLIREEMT-KGLIPLIRSA-N 0 0 314.212 3.777 10 0 DHAERN CC(C)(CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000041315360 340709642 /nfs/dbraw/zinc/70/96/42/340709642.db2.gz LCWYTUWZZWFCFO-ZWKOTPCHSA-N 0 0 315.457 3.914 10 0 DHAERN CC(C)(CCC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000041315363 340709645 /nfs/dbraw/zinc/70/96/45/340709645.db2.gz LCWYTUWZZWFCFO-QZTJIDSGSA-N 0 0 315.457 3.914 10 0 DHAERN COC(=O)[C@@H](CC(C)C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000036980183 340725765 /nfs/dbraw/zinc/72/57/65/340725765.db2.gz SRWKVDKRWFOKEW-QMTHXVAHSA-N 0 0 301.789 3.717 10 0 DHAERN CCC[C@H](C(=O)NC1(c2noc(CC)n2)CCCC1)C(C)C ZINC000123635273 340792939 /nfs/dbraw/zinc/79/29/39/340792939.db2.gz WVSWKESJLMXLGO-ZDUSSCGKSA-N 0 0 307.438 3.590 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2)C12CCCC2 ZINC000124698359 340800499 /nfs/dbraw/zinc/80/04/99/340800499.db2.gz BDKBVNHAUONJPI-HZPDHXFCSA-N 0 0 302.418 3.888 10 0 DHAERN C[C@H](NC(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(F)c(F)c1 ZINC000126889533 340839236 /nfs/dbraw/zinc/83/92/36/340839236.db2.gz NYDZCQWFCZOVKC-RYUDHWBXSA-N 0 0 319.355 3.823 10 0 DHAERN CC(C)(CC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000067030620 340853981 /nfs/dbraw/zinc/85/39/81/340853981.db2.gz QXGMJTDFZPFKLX-QGZVFWFLSA-N 0 0 309.409 3.994 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC000542223966 341001101 /nfs/dbraw/zinc/00/11/01/341001101.db2.gz GGPFQRKXVGHXFD-GXFFZTMASA-N 0 0 308.219 3.774 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000130806279 341046088 /nfs/dbraw/zinc/04/60/88/341046088.db2.gz ZLMTYFVXFDIKQQ-GTYSZEQSSA-N 0 0 309.409 3.579 10 0 DHAERN COC(=O)CCCC(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000130937159 341054453 /nfs/dbraw/zinc/05/44/53/341054453.db2.gz SSJSCQLVXROETK-ZDUSSCGKSA-N 0 0 305.418 3.505 10 0 DHAERN Cc1cccc(Cl)c1NC(=O)N[C@H]1COc2ccccc21 ZINC000132752422 341144762 /nfs/dbraw/zinc/14/47/62/341144762.db2.gz FFCDKCHTSOREST-ZDUSSCGKSA-N 0 0 302.761 3.904 10 0 DHAERN C[C@H]1CC[C@@H](CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000133327965 341172870 /nfs/dbraw/zinc/17/28/70/341172870.db2.gz XCLSIYZGLXEMOW-QWHCGFSZSA-N 0 0 317.433 3.659 10 0 DHAERN CC(C)c1nc(C2(NC(=O)C[C@H]3CC[C@H](C)C3)CCCC2)no1 ZINC000133348376 341173507 /nfs/dbraw/zinc/17/35/07/341173507.db2.gz WCLGJCKKXPEJQQ-KBPBESRZSA-N 0 0 319.449 3.905 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000075374006 341174977 /nfs/dbraw/zinc/17/49/77/341174977.db2.gz HUJBHANWZZVGIS-QPUJVOFHSA-N 0 0 300.171 3.507 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1F ZINC000075374004 341174992 /nfs/dbraw/zinc/17/49/92/341174992.db2.gz HUJBHANWZZVGIS-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@H](C)SC)o1 ZINC000133958478 341202816 /nfs/dbraw/zinc/20/28/16/341202816.db2.gz JJAIEQWGOAFOQU-JSGCOSHPSA-N 0 0 310.463 3.830 10 0 DHAERN C[C@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000076470982 341207980 /nfs/dbraw/zinc/20/79/80/341207980.db2.gz SQBKVFWNABYNQN-JKSUJKDBSA-N 0 0 324.428 3.589 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCO1 ZINC000076957187 341216160 /nfs/dbraw/zinc/21/61/60/341216160.db2.gz CQLUPDUQBZWPML-KZNAEPCWSA-N 0 0 301.430 3.551 10 0 DHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078291576 341239853 /nfs/dbraw/zinc/23/98/53/341239853.db2.gz KYUVUGGPEFPJJL-TUAOUCFPSA-N 0 0 306.372 3.985 10 0 DHAERN CCCCN(CCO)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000078317950 341240321 /nfs/dbraw/zinc/24/03/21/341240321.db2.gz KNFHNARMEJJJGA-OAHLLOKOSA-N 0 0 314.429 3.705 10 0 DHAERN CC(C)(C)Oc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000079412666 341258643 /nfs/dbraw/zinc/25/86/43/341258643.db2.gz YRHORBZHPOSETK-SJORKVTESA-N 0 0 317.429 3.648 10 0 DHAERN C[C@H](CC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1ccccc1F ZINC000081451708 341291287 /nfs/dbraw/zinc/29/12/87/341291287.db2.gz QGBQWKKSFMZCNM-CHWSQXEVSA-N 0 0 323.408 3.508 10 0 DHAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)[C@@H](C)c1ccccc1 ZINC000245420595 341292669 /nfs/dbraw/zinc/29/26/69/341292669.db2.gz MXVPNLSWSUWOQG-KEYYUXOJSA-N 0 0 310.397 3.612 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cc(-c2cccs2)on1 ZINC000081568946 341297041 /nfs/dbraw/zinc/29/70/41/341297041.db2.gz PULKULBAXXPFQE-NSHDSACASA-N 0 0 322.430 3.565 10 0 DHAERN Cc1cc(F)ccc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000245685879 341309390 /nfs/dbraw/zinc/30/93/90/341309390.db2.gz AGXMQKCMBSBDPR-YJBOKZPZSA-N 0 0 321.342 3.720 10 0 DHAERN C[C@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1 ZINC000246083075 341324316 /nfs/dbraw/zinc/32/43/16/341324316.db2.gz UEISVRINSMLCGY-GRIRQICOSA-N 0 0 307.821 3.721 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000246282493 341339866 /nfs/dbraw/zinc/33/98/66/341339866.db2.gz NRBWHGFIHZEMBP-HVDRQEDPSA-N 0 0 309.837 3.560 10 0 DHAERN COC[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000139285151 341347326 /nfs/dbraw/zinc/34/73/26/341347326.db2.gz SYFAEUOHVHBRSL-UWVGGRQHSA-N 0 0 319.232 3.636 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@H]3C)C2)n1 ZINC000246433215 341348685 /nfs/dbraw/zinc/34/86/85/341348685.db2.gz TVLKLFIVGIGIPW-YUELXQCFSA-N 0 0 321.490 3.919 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)[C@H]2CCCO2)o1 ZINC000246438353 341348831 /nfs/dbraw/zinc/34/88/31/341348831.db2.gz UAKJYVVBBSPZNA-VNQPRFMTSA-N 0 0 320.433 3.646 10 0 DHAERN CC[C@H](C)CS(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000246831339 341357572 /nfs/dbraw/zinc/35/75/72/341357572.db2.gz CTFZVJDHNGPFPK-NWDGAFQWSA-N 0 0 303.855 3.709 10 0 DHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000247682817 341368905 /nfs/dbraw/zinc/36/89/05/341368905.db2.gz RWIFVIOPRQTPDP-KBAYOESNSA-N 0 0 318.461 3.607 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccccc2F)C2CCCC2)O1 ZINC000248117761 341373365 /nfs/dbraw/zinc/37/33/65/341373365.db2.gz DHVOVQCPKISETJ-JLZZUVOBSA-N 0 0 305.393 3.741 10 0 DHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000248556921 341379844 /nfs/dbraw/zinc/37/98/44/341379844.db2.gz LSVVKZVKYKGBGU-OUCADQQQSA-N 0 0 301.352 3.958 10 0 DHAERN CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCO[C@H]1C ZINC000249298183 341396186 /nfs/dbraw/zinc/39/61/86/341396186.db2.gz CGVLYFKNGZQBNK-JQHSSLGASA-N 0 0 303.446 3.719 10 0 DHAERN Cc1cccc(CNC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000153612762 341575718 /nfs/dbraw/zinc/57/57/18/341575718.db2.gz TXUBYWAUWRTQOQ-ACJLOTCBSA-N 0 0 309.413 3.828 10 0 DHAERN C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000154559985 341591397 /nfs/dbraw/zinc/59/13/97/341591397.db2.gz BDBLEMOGSJVHNO-PELKAZGASA-N 0 0 321.726 3.656 10 0 DHAERN C[C@@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155349683 341606560 /nfs/dbraw/zinc/60/65/60/341606560.db2.gz HIHLDTMEMGLZAF-TZMCWYRMSA-N 0 0 314.351 3.744 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(C(=O)NC(C)C)cc1 ZINC000157066561 341631631 /nfs/dbraw/zinc/63/16/31/341631631.db2.gz WPBWRMWRFWSPKC-HNNXBMFYSA-N 0 0 324.424 3.624 10 0 DHAERN CCCCOc1cccc(NC(=O)N2CCS[C@H](C)C2)c1 ZINC000171379047 341776546 /nfs/dbraw/zinc/77/65/46/341776546.db2.gz YJEYRWZKVUIYEF-CYBMUJFWSA-N 0 0 308.447 3.835 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccsc1Br ZINC000338067221 341815850 /nfs/dbraw/zinc/81/58/50/341815850.db2.gz HZKMRMXBUKHTJC-WPRPVWTQSA-N 0 0 302.237 3.563 10 0 DHAERN CC(C)(C)CNC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178578375 341958593 /nfs/dbraw/zinc/95/85/93/341958593.db2.gz OCTAXUWAZDHFBC-GFCCVEGCSA-N 0 0 302.340 3.505 10 0 DHAERN CC(C)(C)c1csc(CN2CCC(Cn3cccn3)CC2)n1 ZINC000120576778 519080349 /nfs/dbraw/zinc/08/03/49/519080349.db2.gz VCORTFXXTZWXIH-UHFFFAOYSA-N 0 0 318.490 3.549 10 0 DHAERN CC(C)C[C@H](C)CC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154525963 519301459 /nfs/dbraw/zinc/30/14/59/519301459.db2.gz QDMSKBZTJOWBFB-XHSDSOJGSA-N 0 0 307.434 3.766 10 0 DHAERN CC(=O)CCCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000188088445 519406653 /nfs/dbraw/zinc/40/66/53/519406653.db2.gz NCDCQXDXBXUBCY-HNNXBMFYSA-N 0 0 305.418 3.658 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000128419326 519743347 /nfs/dbraw/zinc/74/33/47/519743347.db2.gz ZUARFVMZOSFCFC-IAGOWNOFSA-N 0 0 300.402 3.800 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000181858357 519760177 /nfs/dbraw/zinc/76/01/77/519760177.db2.gz IJMVUPCJFQQFMX-GFCCVEGCSA-N 0 0 314.376 3.530 10 0 DHAERN CC(C)c1n[nH]cc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000189231115 519830642 /nfs/dbraw/zinc/83/06/42/519830642.db2.gz PUOVZTDESXRJBS-SECBINFHSA-N 0 0 309.772 3.817 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCCCCCO)cc1 ZINC000182296144 519840307 /nfs/dbraw/zinc/84/03/07/519840307.db2.gz SPHJXAUSTAISDB-MSOLQXFVSA-N 0 0 303.446 3.582 10 0 DHAERN CCC1CCC(NC(=O)N(C)CCc2ncc(C)s2)CC1 ZINC000179138957 519854842 /nfs/dbraw/zinc/85/48/42/519854842.db2.gz WYGXQEYAFFEDSZ-UHFFFAOYSA-N 0 0 309.479 3.604 10 0 DHAERN CC(C)c1nc(CN[C@@H](C)c2ccccc2Br)no1 ZINC000181569651 519863804 /nfs/dbraw/zinc/86/38/04/519863804.db2.gz IFTFQNODVGSYJL-JTQLQIEISA-N 0 0 324.222 3.806 10 0 DHAERN CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)c1cccs1 ZINC000172717211 519881986 /nfs/dbraw/zinc/88/19/86/519881986.db2.gz LGBQQZYXMSDNGY-SECBINFHSA-N 0 0 311.838 3.749 10 0 DHAERN CC(C)c1nnc(CNC2(c3ccc(Cl)cc3)CCC2)n1C ZINC000170920759 519887554 /nfs/dbraw/zinc/88/75/54/519887554.db2.gz VJOKKZZPCCVPHL-UHFFFAOYSA-N 0 0 318.852 3.761 10 0 DHAERN CC(C)c1nnc(CN[C@@H](C)c2ccccc2Br)o1 ZINC000181571542 519887807 /nfs/dbraw/zinc/88/78/07/519887807.db2.gz GFPSMQQVMOIHSZ-JTQLQIEISA-N 0 0 324.222 3.806 10 0 DHAERN CC(C)c1nnc(CSCc2nc3ccccc3s2)n1C ZINC000182347404 519888712 /nfs/dbraw/zinc/88/87/12/519888712.db2.gz ZFGHGNPQJMRYFF-UHFFFAOYSA-N 0 0 318.471 3.982 10 0 DHAERN CCOCc1cccc(N[C@@H]2C[C@H](OCC)C23CCOCC3)c1 ZINC000186466416 520206170 /nfs/dbraw/zinc/20/61/70/520206170.db2.gz SNSKEWJTCVIIJV-MSOLQXFVSA-N 0 0 319.445 3.609 10 0 DHAERN CC1(C)CCC(=CC(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000153323258 520290314 /nfs/dbraw/zinc/29/03/14/520290314.db2.gz WJOXIUKGEUOFQF-UHFFFAOYSA-N 0 0 301.434 3.642 10 0 DHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000194313866 520308089 /nfs/dbraw/zinc/30/80/89/520308089.db2.gz UGTNQODDPKYCLB-OAGGEKHMSA-N 0 0 319.445 3.911 10 0 DHAERN CCCOc1ccc([C@@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000181256767 520417605 /nfs/dbraw/zinc/41/76/05/520417605.db2.gz LWDYACHNHIUQHS-DYVFJYSZSA-N 0 0 314.433 3.561 10 0 DHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc(F)c1Br ZINC000233304849 520892762 /nfs/dbraw/zinc/89/27/62/520892762.db2.gz DSGDBVDMDKFVLR-LDYMZIIASA-N 0 0 300.171 3.507 10 0 DHAERN CC1CCN(c2cccc(NC(=O)[C@@H]3CCCO[C@@H]3C)c2)CC1 ZINC000187954848 521046366 /nfs/dbraw/zinc/04/63/66/521046366.db2.gz AIPMXCIODSBGBL-CRAIPNDOSA-N 0 0 316.445 3.677 10 0 DHAERN CCCc1ccccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000158712165 521437327 /nfs/dbraw/zinc/43/73/27/521437327.db2.gz AIAPZROUGXPIGG-APWZRJJASA-N 0 0 316.445 3.798 10 0 DHAERN CCOCCC1(CNC(=O)N[C@H](C)c2ccc(C)o2)CCCC1 ZINC000156024613 521687373 /nfs/dbraw/zinc/68/73/73/521687373.db2.gz GOURHGFMPICDLS-OAHLLOKOSA-N 0 0 322.449 3.935 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)N[C@@H]3CC=CCC3)C2)n1 ZINC000172480461 522116904 /nfs/dbraw/zinc/11/69/04/522116904.db2.gz XBJJTIBLSMOYQE-DZGCQCFKSA-N 0 0 319.474 3.703 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000103360354 522178127 /nfs/dbraw/zinc/17/81/27/522178127.db2.gz PHUNGALGXKWKNT-SNVBAGLBSA-N 0 0 322.455 3.753 10 0 DHAERN CCc1nc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734515 522353234 /nfs/dbraw/zinc/35/32/34/522353234.db2.gz FNJNOPLDIQVKPJ-CQSZACIVSA-N 0 0 317.433 3.908 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000103383446 522549817 /nfs/dbraw/zinc/54/98/17/522549817.db2.gz CTDHXLSDXHOJQA-YUMQZZPRSA-N 0 0 308.180 3.592 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(C)cc2C)cs1 ZINC000103359900 522554992 /nfs/dbraw/zinc/55/49/92/522554992.db2.gz KRMMYULXPWRDRA-LBPRGKRZSA-N 0 0 304.415 3.648 10 0 DHAERN CCc1nnc(CN2CCCC[C@H]2c2cccc(C)c2C)n1C ZINC000174201740 522731713 /nfs/dbraw/zinc/73/17/13/522731713.db2.gz UKLYQLBPBDSZGJ-KRWDZBQOSA-N 0 0 312.461 3.722 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccc(F)cc2F)C(C)(C)C)n1C ZINC000181620783 522743664 /nfs/dbraw/zinc/74/36/64/522743664.db2.gz PEFRMLMNBWSQGU-INIZCTEOSA-N 0 0 322.403 3.533 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccc(Cl)cc2F)C(C)C)n1C ZINC000180260925 522743970 /nfs/dbraw/zinc/74/39/70/522743970.db2.gz NOMLDLYUXXPYQU-MRXNPFEDSA-N 0 0 324.831 3.657 10 0 DHAERN CCc1sc([C@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1C ZINC000157788298 523078967 /nfs/dbraw/zinc/07/89/67/523078967.db2.gz UTJKXOVLLRRAIW-VIFPVBQESA-N 0 0 323.849 3.939 10 0 DHAERN CCn1c(C)nnc1CNC1(c2cccc(Cl)c2)CCCC1 ZINC000181456991 523154108 /nfs/dbraw/zinc/15/41/08/523154108.db2.gz QNCZXSQCQTYAOR-UHFFFAOYSA-N 0 0 318.852 3.819 10 0 DHAERN CO[C@@H](C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000182990711 523327495 /nfs/dbraw/zinc/32/74/95/523327495.db2.gz MENODQXOMNJARO-MGPQQGTHSA-N 0 0 315.335 3.611 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C)o2)CCO1 ZINC000180724490 523551894 /nfs/dbraw/zinc/55/18/94/523551894.db2.gz QQOZKKSUEOFWIJ-BZUAXINKSA-N 0 0 305.418 3.847 10 0 DHAERN CO[C@H](C(=O)N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000157687262 523832874 /nfs/dbraw/zinc/83/28/74/523832874.db2.gz ALDXYRBDJVQQMZ-ROUUACIJSA-N 0 0 313.372 3.707 10 0 DHAERN CCc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)c(O)c1 ZINC000191053624 523883450 /nfs/dbraw/zinc/88/34/50/523883450.db2.gz NAYKRJOCUBZXLG-AWEZNQCLSA-N 0 0 316.426 3.779 10 0 DHAERN COC(=O)[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccnc1 ZINC000178790094 523931143 /nfs/dbraw/zinc/93/11/43/523931143.db2.gz OYBTVQZURVJXFF-KBXCAEBGSA-N 0 0 312.413 3.770 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)NC[C@@H](C)c2nccs2)cc1 ZINC000182805345 524023137 /nfs/dbraw/zinc/02/31/37/524023137.db2.gz WNHFOGUEKDWAEH-CHWSQXEVSA-N 0 0 317.458 3.869 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2oc(C)nc2C)o1 ZINC000173191478 524053795 /nfs/dbraw/zinc/05/37/95/524053795.db2.gz CDNXIIRQPIOUNP-CQSZACIVSA-N 0 0 302.374 3.814 10 0 DHAERN C[C@H]1CN(C(=O)Nc2c(F)cc(Cl)cc2F)CCS1 ZINC000182843635 524507454 /nfs/dbraw/zinc/50/74/54/524507454.db2.gz WYVWWHLGGURFIU-ZETCQYMHSA-N 0 0 306.765 3.587 10 0 DHAERN C[C@H]1CN(C(=O)c2cnc(-c3ccccc3F)s2)CCS1 ZINC000171565477 524547337 /nfs/dbraw/zinc/54/73/37/524547337.db2.gz CBKFFLVTWRGTPS-JTQLQIEISA-N 0 0 322.430 3.527 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCCc2cccnc2)c2ccccc21 ZINC000151545271 524608010 /nfs/dbraw/zinc/60/80/10/524608010.db2.gz YGLQHSMLKNWWCM-RDTXWAMCSA-N 0 0 309.413 3.562 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccco2)c2ccc(F)cc2F)O1 ZINC000154877922 524628688 /nfs/dbraw/zinc/62/86/88/524628688.db2.gz HBCPDNUUDDGENZ-BDJLRTHQSA-N 0 0 321.323 3.659 10 0 DHAERN C[C@H]1COCC[C@H]1Nc1ccc(OC(F)F)c2cccnc12 ZINC000195121383 524734482 /nfs/dbraw/zinc/73/44/82/524734482.db2.gz PZLYLXRVRHFTMB-CMPLNLGQSA-N 0 0 308.328 3.673 10 0 DHAERN COc1ccccc1[C@@H](NC(=O)N[C@H](C)C(C)C)c1ccco1 ZINC000131129786 524739600 /nfs/dbraw/zinc/73/96/00/524739600.db2.gz SSHFEGUDECJFOM-CXAGYDPISA-N 0 0 316.401 3.721 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N(C)Cc2nccn2C(F)F)CC(C)(C)C1 ZINC000183128641 524765775 /nfs/dbraw/zinc/76/57/75/524765775.db2.gz WGXIGCUBHFXGND-NWDGAFQWSA-N 0 0 313.392 3.699 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000191933743 525014911 /nfs/dbraw/zinc/01/49/11/525014911.db2.gz YGJMWRXGHGOIRU-MJBXVCDLSA-N 0 0 305.443 3.577 10 0 DHAERN C[C@@H](NC(=O)C1(c2cccs2)CCCCC1)[C@H]1CCCO1 ZINC000151855904 525061233 /nfs/dbraw/zinc/06/12/33/525061233.db2.gz PZLGISCTFGZCBT-ZIAGYGMSSA-N 0 0 307.459 3.634 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2ccc(SC)o2)cc1OC ZINC000112233911 525143022 /nfs/dbraw/zinc/14/30/22/525143022.db2.gz GTEQQDUARNFOSI-SNVBAGLBSA-N 0 0 321.398 3.510 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccc2ccccc2c1 ZINC000131810574 525143447 /nfs/dbraw/zinc/14/34/47/525143447.db2.gz SCXACRMDHKQDBX-SUMWQHHRSA-N 0 0 319.408 3.860 10 0 DHAERN C[C@@H](NC(=O)c1c[nH]nc1C1CC1)c1ccc2ccccc2c1 ZINC000184186018 525304788 /nfs/dbraw/zinc/30/47/88/525304788.db2.gz IVZPQMQQAVQHBD-GFCCVEGCSA-N 0 0 305.381 3.931 10 0 DHAERN COc1ccc([C@H](C)N[C@@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163808 525328153 /nfs/dbraw/zinc/32/81/53/525328153.db2.gz WMDKOIJUKXEJOF-STQMWFEESA-N 0 0 316.401 3.967 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000191697396 525557551 /nfs/dbraw/zinc/55/75/51/525557551.db2.gz BPUCTNCLXYKDTM-HOTGVXAUSA-N 0 0 316.445 3.821 10 0 DHAERN Cc1cc2cc(NC(=O)N3CCC(c4cc[nH]n4)CC3)ccc2[nH]1 ZINC000153689192 525642759 /nfs/dbraw/zinc/64/27/59/525642759.db2.gz IYEXDDOMPRETLH-UHFFFAOYSA-N 0 0 323.400 3.611 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2Cc2ncnn2CC(C)C)o1 ZINC000182808428 525805682 /nfs/dbraw/zinc/80/56/82/525805682.db2.gz NJXLNANLXHABOF-HNNXBMFYSA-N 0 0 302.422 3.563 10 0 DHAERN Cc1c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cccc1C(F)(F)F ZINC000135203343 525844725 /nfs/dbraw/zinc/84/47/25/525844725.db2.gz FNYKDCXPTIBADX-UWVGGRQHSA-N 0 0 316.323 3.655 10 0 DHAERN Cc1ccc([C@H](C)NCc2noc(-c3ccc(F)cc3F)n2)o1 ZINC000189190057 525929891 /nfs/dbraw/zinc/92/98/91/525929891.db2.gz MKGQDOVMLYRDCQ-JTQLQIEISA-N 0 0 319.311 3.767 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)c2nc(Cc3ccccc3)no2)o1 ZINC000182599095 525943495 /nfs/dbraw/zinc/94/34/95/525943495.db2.gz RKDPNGOMOSYZNK-UONOGXRCSA-N 0 0 311.385 3.974 10 0 DHAERN C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1)c1ccccc1 ZINC000183388712 525971150 /nfs/dbraw/zinc/97/11/50/525971150.db2.gz RNWFMMYJZHEGDC-PWIZWCRZSA-N 0 0 323.436 3.905 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2cn3ccccc3n2)o1 ZINC000127667770 525991473 /nfs/dbraw/zinc/99/14/73/525991473.db2.gz SQCBDHMJJHYTNT-MRXNPFEDSA-N 0 0 323.396 3.532 10 0 DHAERN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191138471 526175515 /nfs/dbraw/zinc/17/55/15/526175515.db2.gz OLGMLKJLFUWNEZ-RWMBFGLXSA-N 0 0 318.442 3.631 10 0 DHAERN C[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1F ZINC000158983127 526229900 /nfs/dbraw/zinc/22/99/00/526229900.db2.gz PVYPXFBXQUTRSG-OAUYIBNBSA-N 0 0 323.383 3.628 10 0 DHAERN Cc1cnccc1CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000188924579 526234346 /nfs/dbraw/zinc/23/43/46/526234346.db2.gz KHJRJBULGLKSBO-MOPGFXCFSA-N 0 0 308.425 3.933 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C(F)F)c3)C2)c1 ZINC000171584373 526266276 /nfs/dbraw/zinc/26/62/76/526266276.db2.gz HQAWOHDVYZWOHI-OAHLLOKOSA-N 0 0 319.355 3.606 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)c1 ZINC000111426720 526267787 /nfs/dbraw/zinc/26/77/87/526267787.db2.gz JJDMWDQOPIHPHY-ZDUSSCGKSA-N 0 0 318.808 3.714 10 0 DHAERN Oc1ccc(-c2nc(COc3ccccc3Cl)no2)cc1 ZINC000040542152 526338283 /nfs/dbraw/zinc/33/82/83/526338283.db2.gz SQLZSIJRACVDHR-UHFFFAOYSA-N 0 0 302.717 3.675 10 0 DHAERN Cc1nnc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181737793 526343780 /nfs/dbraw/zinc/34/37/80/526343780.db2.gz QFSXHGGBESSIQR-ZDUSSCGKSA-N 0 0 303.406 3.654 10 0 DHAERN O=C(CC1CCCCCC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187664534 526364340 /nfs/dbraw/zinc/36/43/40/526364340.db2.gz WEEBFAJZYLJFQW-IRXDYDNUSA-N 0 0 321.486 3.643 10 0 DHAERN Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2cccs2)n1 ZINC000182889956 526404411 /nfs/dbraw/zinc/40/44/11/526404411.db2.gz FDABVNPBVUYUBK-GXSJLCMTSA-N 0 0 309.460 3.677 10 0 DHAERN Cc1csc([C@H](C)NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000109103760 526434224 /nfs/dbraw/zinc/43/42/24/526434224.db2.gz APXWRTJHDWXKGD-WCQGTBRESA-N 0 0 322.380 3.711 10 0 DHAERN Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000178808005 526493388 /nfs/dbraw/zinc/49/33/88/526493388.db2.gz XKLIPFMGHPGDBD-SGTLLEGYSA-N 0 0 311.429 3.714 10 0 DHAERN O=C(NC[C@@H]1CC=CCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176274997 526500733 /nfs/dbraw/zinc/50/07/33/526500733.db2.gz UDPPMKVWAYABDK-ZIAGYGMSSA-N 0 0 305.447 3.736 10 0 DHAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCc2sccc2C1 ZINC000171737660 526562954 /nfs/dbraw/zinc/56/29/54/526562954.db2.gz VXNYTZFYANPSJT-OLZOCXBDSA-N 0 0 319.376 3.715 10 0 DHAERN Brc1cc2c(s1)CC[C@@H]2NCc1cscn1 ZINC000309234748 526636765 /nfs/dbraw/zinc/63/67/65/526636765.db2.gz LJEUNJJZRKQYAF-VIFPVBQESA-N 0 0 315.261 3.744 10 0 DHAERN O=C(NCc1ccccc1F)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109080088 526751602 /nfs/dbraw/zinc/75/16/02/526751602.db2.gz YQASPWDIGUJLGM-CHWSQXEVSA-N 0 0 305.299 3.524 10 0 DHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)C(C1CC1)C1CC1 ZINC000127752725 526865728 /nfs/dbraw/zinc/86/57/28/526865728.db2.gz MYGFQMJVMFKBGL-AWEZNQCLSA-N 0 0 311.347 3.712 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c1C ZINC000180291575 526903200 /nfs/dbraw/zinc/90/32/00/526903200.db2.gz YAFTWCKPAFCLSQ-ZDUSSCGKSA-N 0 0 319.430 3.849 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)N(Cc1cccnc1)C1CC1 ZINC000170881557 527039883 /nfs/dbraw/zinc/03/98/83/527039883.db2.gz DUAVLMOWTFYQOX-IBGZPJMESA-N 0 0 321.424 3.833 10 0 DHAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893611 527249227 /nfs/dbraw/zinc/24/92/27/527249227.db2.gz KPTAETOUNPDWGI-IBGZPJMESA-N 0 0 323.440 3.585 10 0 DHAERN O=C(Cc1ccncc1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000182124839 527308498 /nfs/dbraw/zinc/30/84/98/527308498.db2.gz GGDPFQFJODBNGI-QGZVFWFLSA-N 0 0 322.408 3.577 10 0 DHAERN O=C(Cc1ccsc1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128599656 527317408 /nfs/dbraw/zinc/31/74/08/527317408.db2.gz UGPMEXDQUZTCMD-CYBMUJFWSA-N 0 0 313.344 3.580 10 0 DHAERN Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 ZINC000262479615 527472403 /nfs/dbraw/zinc/47/24/03/527472403.db2.gz CTFBTWQFJFGVRK-UHFFFAOYSA-N 0 0 324.380 3.953 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1cccc(Br)c1C ZINC000182748896 527700458 /nfs/dbraw/zinc/70/04/58/527700458.db2.gz YMXAABZYFNNWDO-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN c1ccc2c3nnc(C4CCCCC4)n3c(NC3CC3)nc2c1 ZINC000034699976 563314843 /nfs/dbraw/zinc/31/48/43/563314843.db2.gz WXEXSHPFZPQUDZ-UHFFFAOYSA-N 0 0 307.401 3.900 10 0 DHAERN Nc1cccc(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000032917155 563443541 /nfs/dbraw/zinc/44/35/41/563443541.db2.gz TUJQBHYKFKMLSJ-UHFFFAOYSA-N 0 0 301.733 3.551 10 0 DHAERN COc1c(O)ccc2c1CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000034275400 563445973 /nfs/dbraw/zinc/44/59/73/563445973.db2.gz BCWZIZLVBYHFES-PXHHVBDSSA-N 0 0 302.414 3.618 10 0 endogenous,in-man DHAERN CCc1ccc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034708615 563451415 /nfs/dbraw/zinc/45/14/15/563451415.db2.gz JLPDONVLFQJCSE-PMACEKPBSA-N 0 0 323.436 3.939 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4[C@@H](O)C(=O)CC[C@]43C)[C@@H]1CCCC2=O ZINC000035565066 563453304 /nfs/dbraw/zinc/45/33/04/563453304.db2.gz PSDYUQOKDCQVKL-PQLXTQRPSA-N 0 0 318.457 3.528 10 0 DHAERN CC(F)(F)c1[nH]nc(N)c1-c1ccc(Br)cc1 ZINC000302288306 563461252 /nfs/dbraw/zinc/46/12/52/563461252.db2.gz CJRCIXLEQWPVPJ-UHFFFAOYSA-N 0 0 302.122 3.533 10 0 DHAERN CCCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 ZINC000071790689 563501406 /nfs/dbraw/zinc/50/14/06/563501406.db2.gz DZNFOHLHKBCPLP-DLBZAZTESA-N 0 0 319.445 3.724 10 0 DHAERN Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 ZINC000226275632 563913633 /nfs/dbraw/zinc/91/36/33/563913633.db2.gz KCBHLEAEAMVFCD-UHFFFAOYSA-N 0 0 314.351 3.756 10 0 DHAERN Cc1cc(C)c(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)o1 ZINC000328645938 563929871 /nfs/dbraw/zinc/92/98/71/563929871.db2.gz ZVIKPRCRUNWQGI-CYBMUJFWSA-N 0 0 318.442 3.853 10 0 DHAERN CO[C@H](N(Cc1ccccc1)C[Si](C)(C)C)C(F)(F)F ZINC000204918905 563959711 /nfs/dbraw/zinc/95/97/11/563959711.db2.gz CUKBDXACQIOYMR-ZDUSSCGKSA-N 0 0 305.416 3.901 10 0 DHAERN Cc1ccnc(NC(=O)C(C)(C)C)c1C(=O)c1ccccc1F ZINC000616583019 563961549 /nfs/dbraw/zinc/96/15/49/563961549.db2.gz UINYEWXFQBKGTO-UHFFFAOYSA-N 0 0 314.360 3.745 10 0 DHAERN c1ccc(Nc2n[nH]c3ncnc(Nc4ccccc4)c23)cc1 ZINC000000021592 581092216 /nfs/dbraw/zinc/09/22/16/581092216.db2.gz IZWVMBDZDRQDDZ-UHFFFAOYSA-N 0 0 302.341 3.840 10 0 DHAERN NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc21 ZINC000045289387 581100569 /nfs/dbraw/zinc/10/05/69/581100569.db2.gz YTKLAAYEYWFEIM-UHFFFAOYSA-N 0 0 313.360 3.996 10 0 DHAERN O=C([O-])c1cccc2c1CCN(Cc1ccc(Cl)s1)C2 ZINC000124595616 958536171 /nfs/dbraw/zinc/53/61/71/958536171.db2.gz DRGCAYHYXWCFLB-UHFFFAOYSA-N 0 0 307.802 3.658 10 0 DHAERN CCC[C@@](C)([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000164085711 959252934 /nfs/dbraw/zinc/25/29/34/959252934.db2.gz JPEKJTZBVWAJDD-CYBMUJFWSA-N 0 0 307.287 3.578 10 0 DHAERN C[C@H]([NH2+]Cc1occc1C(=O)[O-])c1ccc(Br)cc1 ZINC000235517785 960447502 /nfs/dbraw/zinc/44/75/02/960447502.db2.gz ONABWCLZVWNQNW-VIFPVBQESA-N 0 0 324.174 3.591 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cc(F)c(F)c(F)c1 ZINC000692410608 976451613 /nfs/dbraw/zinc/45/16/13/976451613.db2.gz QCZLDIAVANKJEO-UHFFFAOYSA-N 0 0 323.314 3.581 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cncc2ccccc21 ZINC000692414929 976456469 /nfs/dbraw/zinc/45/64/69/976456469.db2.gz LSLWZRXORNENST-UHFFFAOYSA-N 0 0 320.392 3.712 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(Cl)c1 ZINC000692428687 976468420 /nfs/dbraw/zinc/46/84/20/976468420.db2.gz OXONVFBVECRONA-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN Cn1c2ccccc2nc1[C@@H](NCc1cc[nH]c1)c1ccccc1 ZINC000086252474 1032257827 /nfs/dbraw/zinc/25/78/27/1032257827.db2.gz XXIXVAQOXAKZRJ-IBGZPJMESA-N 0 0 316.408 3.781 10 0 DHAERN CC(C)[C@@H](C)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089953846 1032375821 /nfs/dbraw/zinc/37/58/21/1032375821.db2.gz FZBZWFNWJMDNMU-UONOGXRCSA-N 0 0 315.417 3.639 10 0 DHAERN Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000090202568 1032389950 /nfs/dbraw/zinc/38/99/50/1032389950.db2.gz YYGNJDBFZVQTJP-CQSZACIVSA-N 0 0 319.817 3.972 10 0 DHAERN COc1ccccc1C[NH+]1CCC(c2nc(C)cs2)CC1 ZINC000092787481 1032509444 /nfs/dbraw/zinc/50/94/44/1032509444.db2.gz KTSPNPMENLPWSR-UHFFFAOYSA-N 0 0 302.443 3.840 10 0 DHAERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000072524057 1018863116 /nfs/dbraw/zinc/86/31/16/1018863116.db2.gz FOIOXVODCNBLLQ-HFTRVMKXSA-N 0 0 324.428 3.528 10 0 DHAERN Cc1nc(-c2cccc(C(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)c2)n[nH]1 ZINC000081756084 1019227738 /nfs/dbraw/zinc/22/77/38/1019227738.db2.gz LUAZZTDFXIBHOB-MRRJBJDNSA-N 0 0 324.428 3.573 10 0 DHAERN CN1CC[C@@H](CNC(=O)c2ccc3cc[nH]c3c2)c2ccccc21 ZINC000056047635 1025886234 /nfs/dbraw/zinc/88/62/34/1025886234.db2.gz BLJVERFWYKVRPR-INIZCTEOSA-N 0 0 319.408 3.521 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccncc1 ZINC000056794838 1025903211 /nfs/dbraw/zinc/90/32/11/1025903211.db2.gz SZQIKOQDVOEZHI-GUYCJALGSA-N 0 0 313.376 3.828 10 0 DHAERN C[C@H]1CN(Cc2ncc(-c3ccccc3Cl)o2)C[C@H](C)O1 ZINC000075589568 1030664550 /nfs/dbraw/zinc/66/45/50/1030664550.db2.gz NPBWISHHUXPCFH-RYUDHWBXSA-N 0 0 306.793 3.604 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3ccco3)C2)cc1 ZINC000078186721 1030920343 /nfs/dbraw/zinc/92/03/43/1030920343.db2.gz OWVLIFIQIYARKM-ZBFHGGJFSA-N 0 0 313.397 3.625 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc1 ZINC000078186688 1030920945 /nfs/dbraw/zinc/92/09/45/1030920945.db2.gz RWDSYMUXITUVBX-DOMZBBRYSA-N 0 0 301.411 3.775 10 0 DHAERN CCCc1nnc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000130467022 334926234 /nfs/dbraw/zinc/92/62/34/334926234.db2.gz HLLUBEKSNUEXFH-JTQLQIEISA-N 0 0 307.467 3.924 10 0 DHAERN CC(C)Oc1cccc(I)c1OC1CC1 ZINC000095720384 185383267 /nfs/dbraw/zinc/38/32/67/185383267.db2.gz TXZYTSQHHQGPKS-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN Clc1nc(-c2ccccn2)c(-c2ccccn2)nc1Cl ZINC000095829164 185384080 /nfs/dbraw/zinc/38/40/80/185384080.db2.gz KWRCQCGROUNDBC-UHFFFAOYSA-N 0 0 303.152 3.907 10 0 DHAERN COc1ccccc1S[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000083311837 185221794 /nfs/dbraw/zinc/22/17/94/185221794.db2.gz PSYASUBQXTYWAC-GFCCVEGCSA-N 0 0 309.431 3.797 10 0 DHAERN O[C@@H](c1ccccn1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000087493524 185226749 /nfs/dbraw/zinc/22/67/49/185226749.db2.gz FGPXBYCGGALHQQ-INIZCTEOSA-N 0 0 303.789 3.517 10 0 DHAERN C=Cc1ccc(COc2ncccc2C(=O)N(CC)CC)cc1 ZINC000090449469 185297216 /nfs/dbraw/zinc/29/72/16/185297216.db2.gz RTILQQLPMFDCFE-UHFFFAOYSA-N 0 0 310.397 3.786 10 0 DHAERN O=c1cc(-c2cccnc2)c2ccc(Br)cc2o1 ZINC000090550130 185302305 /nfs/dbraw/zinc/30/23/05/185302305.db2.gz LXLWIQHRLCHDKR-UHFFFAOYSA-N 0 0 302.127 3.618 10 0 DHAERN O=c1c(O)cn(-c2ccc(F)cc2)c2cc(Cl)c(F)cc12 ZINC000090558338 185303299 /nfs/dbraw/zinc/30/32/99/185303299.db2.gz GEQPCENAIGNBRW-UHFFFAOYSA-N 0 0 307.683 3.628 10 0 DHAERN O=C(Cc1ccccc1)Nc1ccc2cc(-c3cn[nH]c3)[nH]c2c1 ZINC000090624726 185307223 /nfs/dbraw/zinc/30/72/23/185307223.db2.gz PJJRAGLVEWAERQ-UHFFFAOYSA-N 0 0 316.364 3.739 10 0 DHAERN CC(C)(C)OC(=O)N1CCN(c2cccc3ccccc32)CC1 ZINC000090635887 185307623 /nfs/dbraw/zinc/30/76/23/185307623.db2.gz SWSYBZJEUSXCHF-UHFFFAOYSA-N 0 0 312.413 3.897 10 0 DHAERN Fc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1Cl ZINC000092831443 185344585 /nfs/dbraw/zinc/34/45/85/185344585.db2.gz USZUTBZZBQCTOR-CYBMUJFWSA-N 0 0 312.797 3.509 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814320 185343141 /nfs/dbraw/zinc/34/31/41/185343141.db2.gz RFMHJBLCBBKNNO-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN CC[C@H](Nc1ccc(=O)n(C)c1)c1cccc(Br)c1 ZINC000037785652 190665380 /nfs/dbraw/zinc/66/53/80/190665380.db2.gz YTGVQLRNDAIBAF-AWEZNQCLSA-N 0 0 321.218 3.711 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1cccnc1)c1ccc(Cl)cc1 ZINC000103381345 185448999 /nfs/dbraw/zinc/44/89/99/185448999.db2.gz DCAAGKGULVGWQF-CYBMUJFWSA-N 0 0 318.804 3.551 10 0 DHAERN C[C@@H]1CN(c2ncnc3sccc32)[C@@H](c2ccccc2)CO1 ZINC000107070544 185468412 /nfs/dbraw/zinc/46/84/12/185468412.db2.gz HDYITVDSQMARGE-IUODEOHRSA-N 0 0 311.410 3.658 10 0 DHAERN Cn1cc([C@@H]2CCCN2c2cc3ccccc3c(Cl)n2)cn1 ZINC000108946165 185542223 /nfs/dbraw/zinc/54/22/23/185542223.db2.gz YVXPQGYDVXTUSJ-HNNXBMFYSA-N 0 0 312.804 3.963 10 0 DHAERN C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109094641 185551510 /nfs/dbraw/zinc/55/15/10/185551510.db2.gz IHYTZTZWRPJMKU-MRVWCRGKSA-N 0 0 316.351 3.683 10 0 DHAERN Cc1cc(NC(=O)C2CC(C)C2)c(F)cc1Br ZINC000554792341 341464035 /nfs/dbraw/zinc/46/40/35/341464035.db2.gz RPVYPAMDBRKZKV-UHFFFAOYSA-N 0 0 300.171 3.881 10 0 DHAERN CC(=O)c1cccc(NC(=O)NC2C3CC4CC(C3)CC2C4)c1 ZINC000072114585 191038388 /nfs/dbraw/zinc/03/83/88/191038388.db2.gz NVEGDEXHKTWRLQ-UHFFFAOYSA-N 0 0 312.413 3.835 10 0 DHAERN CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1N ZINC000072237267 191080503 /nfs/dbraw/zinc/08/05/03/191080503.db2.gz UQMNYERBUVSPKH-UHFFFAOYSA-N 0 0 318.682 3.666 10 0 DHAERN COc1cccc(-c2cnoc2-c2c[nH]c3ncccc23)c1OC ZINC000150028100 186053922 /nfs/dbraw/zinc/05/39/22/186053922.db2.gz BREHXCFISCVXEW-UHFFFAOYSA-N 0 0 321.336 3.902 10 0 DHAERN Nc1c(-c2ccc(Cl)cc2)nnc2c(-c3ccccc3)cnn21 ZINC000072417198 191155577 /nfs/dbraw/zinc/15/55/77/191155577.db2.gz MWTWIILJFSORBE-UHFFFAOYSA-N 0 0 321.771 3.694 10 0 DHAERN COc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1OC ZINC000072443512 191168834 /nfs/dbraw/zinc/16/88/34/191168834.db2.gz MDPVSVJYKUYCJC-UHFFFAOYSA-N 0 0 307.353 3.904 10 0 DHAERN COc1ccc(-c2nc3nccc(-c4ccc(F)cc4)n3n2)cc1 ZINC000072451503 191170131 /nfs/dbraw/zinc/17/01/31/191170131.db2.gz AEULVBXRCLMJDP-UHFFFAOYSA-N 0 0 320.327 3.606 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3)c(=O)[nH]2)cc1 ZINC000072451036 191170535 /nfs/dbraw/zinc/17/05/35/191170535.db2.gz WRVANAULLILSQM-UHFFFAOYSA-N 0 0 322.339 3.742 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)o1 ZINC000072909063 191250905 /nfs/dbraw/zinc/25/09/05/191250905.db2.gz OQEHIWFUEZVRHC-DGCLKSJQSA-N 0 0 317.360 3.813 10 0 DHAERN Cc1cccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)c1C ZINC000003008297 180976799 /nfs/dbraw/zinc/97/67/99/180976799.db2.gz JONBZDSPKDSNJD-UHFFFAOYSA-N 0 0 315.442 3.830 10 0 DHAERN CCCCC(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 ZINC000004033174 181065324 /nfs/dbraw/zinc/06/53/24/181065324.db2.gz WOGSBCYNQOGUFB-UHFFFAOYSA-N 0 0 308.385 3.833 10 0 DHAERN Cc1ccc(Nc2nc(C(=O)NC3CCCC3)cs2)cc1 ZINC000004675283 181135402 /nfs/dbraw/zinc/13/54/02/181135402.db2.gz DSJIPNSQTRHZBH-UHFFFAOYSA-N 0 0 301.415 3.868 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000073361102 191308485 /nfs/dbraw/zinc/30/84/85/191308485.db2.gz HDKNPRWMLCXWLX-ROUUACIJSA-N 0 0 314.429 3.824 10 0 DHAERN O=c1cc(-c2ccncc2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073661898 191337842 /nfs/dbraw/zinc/33/78/42/191337842.db2.gz GLBKNXZGLUCTNH-UHFFFAOYSA-N 0 0 317.270 3.518 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)cc1Br ZINC000075376341 191468214 /nfs/dbraw/zinc/46/82/14/191468214.db2.gz WTDLXZQKNDRNMW-PELKAZGASA-N 0 0 300.171 3.507 10 0 DHAERN Cc1nc(CSc2ccc(C(=O)N[C@H]3C[C@H]3C)cc2)cs1 ZINC000075520580 191484224 /nfs/dbraw/zinc/48/42/24/191484224.db2.gz ZXLOVJJTVHOEHX-BMIGLBTASA-N 0 0 318.467 3.882 10 0 DHAERN CC(C)(C)c1ccc(C(=O)Nc2cc(N3CCCC3)ncn2)cc1 ZINC000077198252 191672353 /nfs/dbraw/zinc/67/23/53/191672353.db2.gz RUPKMYCLTMYFES-UHFFFAOYSA-N 0 0 324.428 3.627 10 0 DHAERN Cc1cc2nc(NC(=O)COc3ccccc3)sc2cc1C ZINC000005152418 181210134 /nfs/dbraw/zinc/21/01/34/181210134.db2.gz CKYACIXMUYJKAB-UHFFFAOYSA-N 0 0 312.394 3.931 10 0 DHAERN CC(C)(C)OC(=O)N1CC[C@@H](CSCc2cncs2)C1 ZINC000085340149 192492882 /nfs/dbraw/zinc/49/28/82/192492882.db2.gz OOWSBMHUTPIZFV-LLVKDONJSA-N 0 0 314.476 3.633 10 0 DHAERN O[C@H](c1cccc2ccccc21)C1(n2nnc3ccccc32)CC1 ZINC000005705043 181274989 /nfs/dbraw/zinc/27/49/89/181274989.db2.gz LEURJHBMQYUMRZ-LJQANCHMSA-N 0 0 315.376 3.807 10 0 DHAERN COc1ccc(CC(=O)n2cnc3cc(C)c(C)cc32)cc1OC ZINC000005926782 181296468 /nfs/dbraw/zinc/29/64/68/181296468.db2.gz PURVNEHFVSUPAG-UHFFFAOYSA-N 0 0 324.380 3.553 10 0 DHAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCc1ccccn1 ZINC000005932270 181297470 /nfs/dbraw/zinc/29/74/70/181297470.db2.gz JLYIVPNQEMHZGW-ALCCZGGFSA-N 0 0 307.180 3.718 10 0 DHAERN CC(C)(C)OC(=O)n1ccc2cc(N3CCCCC3=O)ccc21 ZINC000089208981 192742524 /nfs/dbraw/zinc/74/25/24/192742524.db2.gz ZOHKOWSAASTHFR-UHFFFAOYSA-N 0 0 314.385 3.941 10 0 DHAERN FC(F)(F)c1cc2[nH]ccc2c(I)c1 ZINC000089204546 192742786 /nfs/dbraw/zinc/74/27/86/192742786.db2.gz CUAKJWYYEBJOAH-UHFFFAOYSA-N 0 0 311.044 3.791 10 0 DHAERN Nc1nc(N)c2c(cccc2Sc2cccc(Cl)c2)n1 ZINC000005974038 181302907 /nfs/dbraw/zinc/30/29/07/181302907.db2.gz FCFUYRIXCSKRSN-UHFFFAOYSA-N 0 0 302.790 3.599 10 0 DHAERN CC[C@@H](C)N([C@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006115909 181313147 /nfs/dbraw/zinc/31/31/47/181313147.db2.gz YNCHEZYRCKFSJJ-VXGBXAGGSA-N 0 0 303.855 3.928 10 0 DHAERN CC(=O)Oc1ccccc1C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000196122207 201422292 /nfs/dbraw/zinc/42/22/92/201422292.db2.gz TUONJYSKKSBDLK-CYBMUJFWSA-N 0 0 309.365 3.766 10 0 DHAERN COC[C@H](N[C@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413257 193053010 /nfs/dbraw/zinc/05/30/10/193053010.db2.gz VDUAORPJMXKXDF-IRXDYDNUSA-N 0 0 319.351 3.766 10 0 DHAERN Cc1ncsc1CN1C[C@H](c2ccccc2)OCC1(C)C ZINC000092973611 193190435 /nfs/dbraw/zinc/19/04/35/193190435.db2.gz VPCOLBLLQWIWJG-OAHLLOKOSA-N 0 0 302.443 3.804 10 0 DHAERN CCOC(=O)C1=C(c2ccccc2Cl)N=C2SC=C[C@@H]21 ZINC000261506868 203073300 /nfs/dbraw/zinc/07/33/00/203073300.db2.gz BUBXJBGDZGRPGZ-SNVBAGLBSA-N 0 0 305.786 3.903 10 0 DHAERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1C ZINC000007305246 181452698 /nfs/dbraw/zinc/45/26/98/181452698.db2.gz ZCUXZMHUMADYKT-ZDUSSCGKSA-N 0 0 323.845 3.996 10 0 DHAERN O=C(/C=C/c1ccccc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000007215190 181446255 /nfs/dbraw/zinc/44/62/55/181446255.db2.gz WQIXPICTOIDQMR-ZNFPLGDCSA-N 0 0 313.784 3.993 10 0 DHAERN CCCCN(CCCC)C(=O)CC1(CC(=O)N(C)C)CCCC1 ZINC000007261557 181449839 /nfs/dbraw/zinc/44/98/39/181449839.db2.gz GTOVJKPXPSKCAR-UHFFFAOYSA-N 0 0 324.509 3.844 10 0 DHAERN Cc1ccc(CSc2nnc(NC(=O)C(C)C)s2)cc1 ZINC000007386678 181460379 /nfs/dbraw/zinc/46/03/79/181460379.db2.gz HTZVUESJHLUAAN-UHFFFAOYSA-N 0 0 307.444 3.733 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC1=CCCOC1 ZINC000093364463 193239151 /nfs/dbraw/zinc/23/91/51/193239151.db2.gz QJTZYWOZKZLDLL-QGZVFWFLSA-N 0 0 321.848 3.839 10 0 DHAERN CCc1ccc([C@H]2CCCCN2Cc2cc(C(N)=O)cs2)o1 ZINC000093459152 193255233 /nfs/dbraw/zinc/25/52/33/193255233.db2.gz NVPBGSYYYMQBQZ-OAHLLOKOSA-N 0 0 318.442 3.730 10 0 DHAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000094203806 193348887 /nfs/dbraw/zinc/34/88/87/193348887.db2.gz DOOHIMPVDBRSAV-MNOVXSKESA-N 0 0 303.299 3.985 10 0 DHAERN CC(C)Sc1cccc(C(=O)Nc2onc3c2CCC3)c1 ZINC000008976498 181594313 /nfs/dbraw/zinc/59/43/13/181594313.db2.gz OYJYKNPWNISMQU-UHFFFAOYSA-N 0 0 302.399 3.916 10 0 DHAERN Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(C)cc3)C2)cc1 ZINC000013675220 181876993 /nfs/dbraw/zinc/87/69/93/181876993.db2.gz IXWUIEQWLIZCLY-KRWDZBQOSA-N 0 0 309.438 3.698 10 0 DHAERN CCc1cccc(C)c1NC(=S)NC(=O)c1ccccc1C ZINC000014001511 181919392 /nfs/dbraw/zinc/91/93/92/181919392.db2.gz BZIMNOSMRFSBMB-UHFFFAOYSA-N 0 0 312.438 3.993 10 0 DHAERN Cc1ccc(NC(=O)C[C@@H](C)n2cccn2)c(Br)c1 ZINC000015733870 182014341 /nfs/dbraw/zinc/01/43/41/182014341.db2.gz SMLHKVXVWADPRC-LLVKDONJSA-N 0 0 322.206 3.544 10 0 DHAERN Cc1ccc([C@H](C)Nc2ncc(Br)cn2)cc1F ZINC000094957840 335018657 /nfs/dbraw/zinc/01/86/57/335018657.db2.gz PNCUECKUUPLCQC-VIFPVBQESA-N 0 0 310.170 3.860 10 0 DHAERN COC(=O)c1c(C)n(Cc2ccccc2F)c2ccc(O)cc21 ZINC000016249713 182038545 /nfs/dbraw/zinc/03/85/45/182038545.db2.gz FFSLCFGGGDFGIX-UHFFFAOYSA-N 0 0 313.328 3.629 10 0 DHAERN Cc1c(Cl)cccc1NC(=O)CSc1ccc(N)cc1 ZINC000017031470 182069286 /nfs/dbraw/zinc/06/92/86/182069286.db2.gz RXKTWYFGBVTUPE-UHFFFAOYSA-N 0 0 306.818 3.961 10 0 DHAERN C[C@@H](NC(=O)c1ccc(Br)cc1F)c1ccco1 ZINC000018210377 182099074 /nfs/dbraw/zinc/09/90/74/182099074.db2.gz NLBZAMNSMHSJQI-MRVPVSSYSA-N 0 0 312.138 3.672 10 0 DHAERN Cc1ccc(N)cc1NC(=O)CCOc1ccccc1Cl ZINC000019230276 182108806 /nfs/dbraw/zinc/10/88/06/182108806.db2.gz NUZHZHLTFQRTJN-UHFFFAOYSA-N 0 0 304.777 3.638 10 0 DHAERN Nc1ccc2[nH]c(-c3ccc(F)cc3Br)nc2c1 ZINC000019431240 182123051 /nfs/dbraw/zinc/12/30/51/182123051.db2.gz XAUKJRHZAXDEAX-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN NC(=S)c1cccc(OCc2cccc(Br)c2)c1 ZINC000019483776 182125441 /nfs/dbraw/zinc/12/54/41/182125441.db2.gz ALFHWYKWTZPLLS-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1ccc(NC(=O)c2cccc(O)c2)c(Br)c1 ZINC000019504193 182126911 /nfs/dbraw/zinc/12/69/11/182126911.db2.gz UAZILKFJHRFREI-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN COc1ccc(NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000019774009 182146249 /nfs/dbraw/zinc/14/62/49/182146249.db2.gz RXIAEHPRYASNBA-UHFFFAOYSA-N 0 0 304.777 3.708 10 0 DHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000019846117 182156403 /nfs/dbraw/zinc/15/64/03/182156403.db2.gz KYBUGGWPZBQGHK-ZDUSSCGKSA-N 0 0 300.427 3.838 10 0 DHAERN Nc1ccc2c(c1)N(Cc1ccc(Br)s1)CC2 ZINC000019875128 182159011 /nfs/dbraw/zinc/15/90/11/182159011.db2.gz CEXOAFRIYVBEDT-UHFFFAOYSA-N 0 0 309.232 3.656 10 0 DHAERN CCc1c(-c2ccc(Br)cc2)nc2ccc(N)cn21 ZINC000019953151 182169682 /nfs/dbraw/zinc/16/96/82/182169682.db2.gz HYYXLAZCABUUAY-UHFFFAOYSA-N 0 0 316.202 3.908 10 0 DHAERN Cc1ccc(OCCC(=O)Nc2ccc(Cl)c(N)c2)cc1 ZINC000019980820 182173015 /nfs/dbraw/zinc/17/30/15/182173015.db2.gz MPANURSNQODRDA-UHFFFAOYSA-N 0 0 304.777 3.638 10 0 DHAERN Cc1nn(C)c(C)c1NCc1cc(Br)ccc1F ZINC000020134531 182190810 /nfs/dbraw/zinc/19/08/10/182190810.db2.gz KNVRMACAMZVXTM-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN CC(C)(C)n1cc(C=O)c(-c2cccc(Br)c2)n1 ZINC000020159973 182194072 /nfs/dbraw/zinc/19/40/72/182194072.db2.gz NNIVNGJQYYHDDX-UHFFFAOYSA-N 0 0 307.191 3.880 10 0 DHAERN N=C1c2ccccc2CN1c1ccc(Br)cc1F ZINC000020078786 182185591 /nfs/dbraw/zinc/18/55/91/182185591.db2.gz YKXNVISCANCWLS-UHFFFAOYSA-N 0 0 305.150 3.934 10 0 DHAERN Cc1ccc(NC(=O)c2cccc(N)c2C)cc1Br ZINC000020194553 182196176 /nfs/dbraw/zinc/19/61/76/182196176.db2.gz JHLCTJSFGFQMJA-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CC(C)N(Cc1ccccc1)C(=O)c1ccc(Cl)c(N)c1 ZINC000020193749 182196243 /nfs/dbraw/zinc/19/62/43/182196243.db2.gz XHVRDJBSAQBWDV-UHFFFAOYSA-N 0 0 302.805 3.973 10 0 DHAERN O=c1oc2c(cc(O)cc2-c2ccccc2Br)s1 ZINC000020272392 182202731 /nfs/dbraw/zinc/20/27/31/182202731.db2.gz JOHKDAUAHFYEIZ-UHFFFAOYSA-N 0 0 323.167 3.990 10 0 DHAERN CCOC(=O)c1c(C)[nH]cc1Cc1cccc(Br)c1 ZINC000020272529 182202739 /nfs/dbraw/zinc/20/27/39/182202739.db2.gz JXIPRCMTOJXSDW-UHFFFAOYSA-N 0 0 322.202 3.853 10 0 DHAERN Nc1cc(Br)ccc1NCCc1ccccc1F ZINC000020382873 182213320 /nfs/dbraw/zinc/21/33/20/182213320.db2.gz JSAYEMWQXCWNIB-UHFFFAOYSA-N 0 0 309.182 3.825 10 0 DHAERN Cc1ccc(-c2csc3ncnc(NC[C@H](C)O)c23)c(C)c1 ZINC000020323510 182206799 /nfs/dbraw/zinc/20/67/99/182206799.db2.gz OJDRQYYGWJHAER-LBPRGKRZSA-N 0 0 313.426 3.768 10 0 DHAERN C[C@H](O)CNc1ncnc2sc3c(c21)CC[C@H](C(C)(C)C)C3 ZINC000020322935 182206961 /nfs/dbraw/zinc/20/69/61/182206961.db2.gz LYLHPWNGHDCNTL-QWRGUYRKSA-N 0 0 319.474 3.635 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)C3CCCCC3)n2)cc1 ZINC000020335894 182209013 /nfs/dbraw/zinc/20/90/13/182209013.db2.gz NGWHAHHDSLLMPQ-UHFFFAOYSA-N 0 0 301.415 3.911 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1 ZINC000020335922 182209030 /nfs/dbraw/zinc/20/90/30/182209030.db2.gz HKZDGTIQKOVJHU-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN Nc1cc(Br)ccc1NC(=O)Nc1ccccc1 ZINC000020521018 182226595 /nfs/dbraw/zinc/22/65/95/182226595.db2.gz DMOWHWARILEWNP-UHFFFAOYSA-N 0 0 306.163 3.675 10 0 DHAERN Nc1cc(Br)ccc1NC(=O)Nc1ccccc1F ZINC000020521017 182226789 /nfs/dbraw/zinc/22/67/89/182226789.db2.gz XZVQBSOCOLDFNY-UHFFFAOYSA-N 0 0 324.153 3.814 10 0 DHAERN Fc1ccc(-n2ncc3c2ncnc3Nc2ccccc2)cc1 ZINC000020661937 182242369 /nfs/dbraw/zinc/24/23/69/182242369.db2.gz UOFNZYYUHQRXTA-UHFFFAOYSA-N 0 0 305.316 3.698 10 0 DHAERN Cc1c2cc(Br)ccc2oc1[C@@H](N)c1ccccn1 ZINC000020593018 182235793 /nfs/dbraw/zinc/23/57/93/182235793.db2.gz DGXAOHYXSLYSHA-AWEZNQCLSA-N 0 0 317.186 3.947 10 0 DHAERN Cc1ccccc1Cn1cc(NC(=O)c2cc(C(C)C)on2)cn1 ZINC000020851174 182249228 /nfs/dbraw/zinc/24/92/28/182249228.db2.gz NQRZSRFECDXIRD-UHFFFAOYSA-N 0 0 324.384 3.604 10 0 DHAERN CCCOc1cccc(C(=O)Nc2cccc(OC(C)=O)c2)c1 ZINC000021025090 182261694 /nfs/dbraw/zinc/26/16/94/182261694.db2.gz NSSNPGKEFLJIJR-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cccc(Br)c2)o1 ZINC000021839503 182295088 /nfs/dbraw/zinc/29/50/88/182295088.db2.gz PLGLZCSPJCMRCS-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C ZINC000021983332 182301365 /nfs/dbraw/zinc/30/13/65/182301365.db2.gz HUXGLBKCRYRMDA-MRXNPFEDSA-N 0 0 304.434 3.518 10 0 DHAERN O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000021998066 182303038 /nfs/dbraw/zinc/30/30/38/182303038.db2.gz WWRJHUMSXJRCEN-RTBURBONSA-N 0 0 309.409 3.633 10 0 DHAERN CC[C@@H](C(=S)NC(C)(C)C)N(Cc1ccccc1)C(C)=O ZINC000022130327 182310074 /nfs/dbraw/zinc/31/00/74/182310074.db2.gz PPPQGXVJQYIUQI-HNNXBMFYSA-N 0 0 306.475 3.529 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000023387002 182359021 /nfs/dbraw/zinc/35/90/21/182359021.db2.gz UNHCIBPKAROQSV-UWVGGRQHSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1ccccc1[C@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000024518919 182382664 /nfs/dbraw/zinc/38/26/64/182382664.db2.gz RCDCAFXEQWTQEL-KXBFYZLASA-N 0 0 308.425 3.666 10 0 DHAERN C[C@@H](O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000024828447 182392326 /nfs/dbraw/zinc/39/23/26/182392326.db2.gz LIDGHYJOQCIXGO-NEPJUHHUSA-N 0 0 319.788 3.799 10 0 DHAERN CCOC(=O)c1ncoc1Cc1ccc(Cl)cc1Cl ZINC000098178290 193791064 /nfs/dbraw/zinc/79/10/64/193791064.db2.gz HBAYHDLUMSDLPN-UHFFFAOYSA-N 0 0 300.141 3.749 10 0 DHAERN CCCn1cc(Br)cc1C(=O)NC1CCCCC1 ZINC000036858056 182849249 /nfs/dbraw/zinc/84/92/49/182849249.db2.gz VTSHNFPZJGUALK-UHFFFAOYSA-N 0 0 313.239 3.723 10 0 DHAERN Cc1nc(N)sc1SCc1cc2c(c(Cl)c1)OCO2 ZINC000037036875 182863462 /nfs/dbraw/zinc/86/34/62/182863462.db2.gz SKWZGEHHLPTYDA-UHFFFAOYSA-N 0 0 314.819 3.708 10 0 DHAERN Cc1ccccc1C[C@H](O)Cc1cccc(Br)c1 ZINC000037532912 182905009 /nfs/dbraw/zinc/90/50/09/182905009.db2.gz XGONUGKWHRHJKD-MRXNPFEDSA-N 0 0 305.215 3.904 10 0 DHAERN O=C(Nc1cccc2n[nH]cc21)c1ccc(Br)cc1 ZINC000037791049 182925775 /nfs/dbraw/zinc/92/57/75/182925775.db2.gz YHNNDTQBBOPSNJ-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN CCOC(=O)[C@H](N[C@H](C)CC)c1cc(Cl)cc(Cl)c1 ZINC000038067984 182985553 /nfs/dbraw/zinc/98/55/53/182985553.db2.gz XICXLVHPXYZROY-NOZJJQNGSA-N 0 0 304.217 3.986 10 0 DHAERN CCc1ccc2oc(C(=O)Nc3nnc(C)s3)c(C)c2c1 ZINC000040038027 183028642 /nfs/dbraw/zinc/02/86/42/183028642.db2.gz UELAQABVUPQHPJ-UHFFFAOYSA-N 0 0 301.371 3.716 10 0 DHAERN COc1ccccc1C(=O)c1cc(Cl)ccc1NC(C)=O ZINC000039207480 183014742 /nfs/dbraw/zinc/01/47/42/183014742.db2.gz KMHUFMLFJWCQNY-UHFFFAOYSA-N 0 0 303.745 3.538 10 0 DHAERN COC(=O)c1ccc(-c2cn3c(cccc3C(F)(F)F)n2)cc1 ZINC000039325700 183017373 /nfs/dbraw/zinc/01/73/73/183017373.db2.gz ARCQSMZJHBTUAV-UHFFFAOYSA-N 0 0 320.270 3.807 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H](CCO)c1ccc(OC(C)(C)C)cc1 ZINC000039927974 183022999 /nfs/dbraw/zinc/02/29/99/183022999.db2.gz DGIIBECNMLSFOU-HNNXBMFYSA-N 0 0 323.433 3.812 10 0 DHAERN COc1cccc2c(C)cc(SCC(=O)OC(C)C)nc12 ZINC000040167624 183043098 /nfs/dbraw/zinc/04/30/98/183043098.db2.gz XQXHTPDJTRQFQA-UHFFFAOYSA-N 0 0 305.399 3.596 10 0 DHAERN CCCCCCn1c(CCNC(=O)CC)nc2ccccc21 ZINC000040197627 183044994 /nfs/dbraw/zinc/04/49/94/183044994.db2.gz VVDHTWUEQCBZRC-UHFFFAOYSA-N 0 0 301.434 3.685 10 0 DHAERN CC(C)Cn1c(CNC(=O)C2CCCCC2)nc2ccccc21 ZINC000040188405 183045025 /nfs/dbraw/zinc/04/50/25/183045025.db2.gz KPGZWXOUSUEHBQ-UHFFFAOYSA-N 0 0 313.445 3.889 10 0 DHAERN CCn1c(CCCNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040207683 183045628 /nfs/dbraw/zinc/04/56/28/183045628.db2.gz PETJBPQULITESK-UHFFFAOYSA-N 0 0 321.424 3.727 10 0 DHAERN O=C(Nc1cccc2n[nH]cc21)c1ccc(Br)s1 ZINC000040222512 183046845 /nfs/dbraw/zinc/04/68/45/183046845.db2.gz KPKWVEADRUZXPA-UHFFFAOYSA-N 0 0 322.187 3.639 10 0 DHAERN C=CC(=O)NCCCCCc1nc2ccccc2n1CC(C)C ZINC000040219563 183047142 /nfs/dbraw/zinc/04/71/42/183047142.db2.gz SWDRBIJFSZHLDF-UHFFFAOYSA-N 0 0 313.445 3.707 10 0 DHAERN CCOC(=O)Cn1c2ccccc2nc1-c1cccc(Cl)c1 ZINC000040250514 183049484 /nfs/dbraw/zinc/04/94/84/183049484.db2.gz QSMUKOWFGBMRNE-UHFFFAOYSA-N 0 0 314.772 3.920 10 0 DHAERN CCOCCn1c(COc2cccc(C)c2)nc2ccccc21 ZINC000040234232 183048835 /nfs/dbraw/zinc/04/88/35/183048835.db2.gz ZUVSZEPBGUBHQP-UHFFFAOYSA-N 0 0 310.397 3.960 10 0 DHAERN CCN(CC)C(=O)Cn1c(/C=C/c2ccco2)nc2ccccc21 ZINC000040238719 183048886 /nfs/dbraw/zinc/04/88/86/183048886.db2.gz YTNGFBZARYRPRM-VAWYXSNFSA-N 0 0 323.396 3.668 10 0 DHAERN CCCn1c(CNC(=O)c2ccccc2C)nc2ccccc21 ZINC000040275867 183050483 /nfs/dbraw/zinc/05/04/83/183050483.db2.gz KHKDHAHVFBXTEG-UHFFFAOYSA-N 0 0 307.397 3.685 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1cccc(C)c1 ZINC000040295542 183052905 /nfs/dbraw/zinc/05/29/05/183052905.db2.gz ZYAWZCUOJDYPDH-UHFFFAOYSA-N 0 0 307.397 3.909 10 0 DHAERN Cc1cccc(C)c1OCCn1c(CO)nc2cc(C)c(C)cc21 ZINC000040308935 183053540 /nfs/dbraw/zinc/05/35/40/183053540.db2.gz GAQZERUHMNVNKP-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN Cc1cccc(Cn2c3cc(C)c(C)cc3nc2CCCO)c1 ZINC000040310957 183053603 /nfs/dbraw/zinc/05/36/03/183053603.db2.gz XHARVOMYVYOHNQ-UHFFFAOYSA-N 0 0 308.425 3.935 10 0 DHAERN Cc1ccc(OC[C@@H](O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000040352474 183056280 /nfs/dbraw/zinc/05/62/80/183056280.db2.gz OVTXVJPLUHWQGY-CQSZACIVSA-N 0 0 312.196 3.996 10 0 DHAERN CC(=O)CSc1ncnc2c1sc1nc(C)cc(C)c12 ZINC000040373647 183057381 /nfs/dbraw/zinc/05/73/81/183057381.db2.gz DMLHWXVPQHWDSI-UHFFFAOYSA-N 0 0 303.412 3.537 10 0 DHAERN CC(=O)Nc1nnc(Sc2cc(C)c3ccccc3n2)s1 ZINC000040400848 183061603 /nfs/dbraw/zinc/06/16/03/183061603.db2.gz XXAAAFPDHKTJQH-UHFFFAOYSA-N 0 0 316.411 3.504 10 0 DHAERN CC(=O)NCc1nc2ccccc2n1Cc1ccc(C(C)C)cc1 ZINC000040274103 183050095 /nfs/dbraw/zinc/05/00/95/183050095.db2.gz CWFNEJKZIBJXCI-UHFFFAOYSA-N 0 0 321.424 3.844 10 0 DHAERN CCN(c1ccccc1)c1[nH]cnc(=NNc2ccccc2)c1N ZINC000040679566 183116187 /nfs/dbraw/zinc/11/61/87/183116187.db2.gz REJYHOVRYFTKBQ-UHFFFAOYSA-N 0 0 320.400 3.656 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2nccs2)c1N ZINC000040688263 183117752 /nfs/dbraw/zinc/11/77/52/183117752.db2.gz JBEWOCBUNWPERB-UHFFFAOYSA-N 0 0 312.402 3.565 10 0 DHAERN Cc1ccc(Nc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687370 183117756 /nfs/dbraw/zinc/11/77/56/183117756.db2.gz JWJGRCRJQUAVHV-UHFFFAOYSA-N 0 0 317.396 3.805 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)n1 ZINC000040685261 183117894 /nfs/dbraw/zinc/11/78/94/183117894.db2.gz FSMMEQABXDPBLH-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CCOc1ncnc(N(CC)c2cccc3ccccc32)c1N ZINC000040702091 183119784 /nfs/dbraw/zinc/11/97/84/183119784.db2.gz USFPDZIFYBEHSR-UHFFFAOYSA-N 0 0 308.385 3.769 10 0 DHAERN Nc1c(NC2CCCCC2)ncnc1NC1CCCCCC1 ZINC000040708751 183120856 /nfs/dbraw/zinc/12/08/56/183120856.db2.gz DPZULTLWSDBLHS-UHFFFAOYSA-N 0 0 303.454 3.938 10 0 DHAERN CCCNc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040707748 183120896 /nfs/dbraw/zinc/12/08/96/183120896.db2.gz XLJZXIWVXSAEPJ-UHFFFAOYSA-N 0 0 312.204 3.931 10 0 DHAERN COc1cccc2c1cc(C(=O)Nc1cccc(C(C)=O)c1)n2C ZINC000040788493 183133812 /nfs/dbraw/zinc/13/38/12/183133812.db2.gz HQMZWCKCSHJLHZ-UHFFFAOYSA-N 0 0 322.364 3.642 10 0 DHAERN COc1ccc(Nc2ncnc(Sc3ccccc3)c2N)cc1 ZINC000040782554 183133940 /nfs/dbraw/zinc/13/39/40/183133940.db2.gz UKLLIJKKDNTJHB-UHFFFAOYSA-N 0 0 324.409 3.962 10 0 DHAERN COc1ccc(CN(C)c2nc(Cl)nc3ccccc32)cc1 ZINC000040835486 183140071 /nfs/dbraw/zinc/14/00/71/183140071.db2.gz ODIKAAXWUXCNCY-UHFFFAOYSA-N 0 0 313.788 3.928 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3ncccc3C)c2N)cc1 ZINC000040758062 183129440 /nfs/dbraw/zinc/12/94/40/183129440.db2.gz IQTDDMQCNCAOFH-UHFFFAOYSA-N 0 0 323.425 3.965 10 0 DHAERN CN(c1ccccc1)c1ncnc(N(C)c2ccccc2)c1N ZINC000040757682 183129501 /nfs/dbraw/zinc/12/95/01/183129501.db2.gz GWIDQQHQADNSPR-UHFFFAOYSA-N 0 0 305.385 3.595 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccnc3)c2N)c(C)c1 ZINC000040755342 183129669 /nfs/dbraw/zinc/12/96/69/183129669.db2.gz GASNGYQWBRMJPH-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccc2nccc(NC(=O)/C=C/c3cccs3)c2c1 ZINC000041058049 183160976 /nfs/dbraw/zinc/16/09/76/183160976.db2.gz GOOHJAGJEQQLOH-FNORWQNLSA-N 0 0 310.378 3.957 10 0 DHAERN CC(C)COC(=O)c1ccc(NC(=O)c2ccccc2F)cc1 ZINC000040866282 183144660 /nfs/dbraw/zinc/14/46/60/183144660.db2.gz IEFSJNIRRIWXHS-UHFFFAOYSA-N 0 0 315.344 3.891 10 0 DHAERN COc1ccc2ncc(Br)c(Br)c2c1 ZINC000041702592 183218377 /nfs/dbraw/zinc/21/83/77/183218377.db2.gz MFKLKVKESFLKCP-UHFFFAOYSA-N 0 0 316.980 3.768 10 0 DHAERN CCOc1cc(Br)c([C@H](O)CC)cc1OCC ZINC000042352201 183257402 /nfs/dbraw/zinc/25/74/02/183257402.db2.gz LJQSWOFXWYGRSN-LLVKDONJSA-N 0 0 303.196 3.690 10 0 DHAERN COc1cc(Br)c([C@H](O)C(C)(C)C)cc1OC ZINC000042352193 183257623 /nfs/dbraw/zinc/25/76/23/183257623.db2.gz LXLLPNJEMHTYNT-LBPRGKRZSA-N 0 0 303.196 3.546 10 0 DHAERN Nc1cc(Br)cnc1Nc1ccc(Cl)cc1F ZINC000042587516 183287994 /nfs/dbraw/zinc/28/79/94/183287994.db2.gz MYZITKYJDSSLQR-UHFFFAOYSA-N 0 0 316.561 3.962 10 0 DHAERN CCCS(=O)(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000042645370 183293279 /nfs/dbraw/zinc/29/32/79/183293279.db2.gz UVXRMZAJXZUIDE-CQSZACIVSA-N 0 0 303.427 3.744 10 0 DHAERN CC(C)[C@H](Sc1nncs1)C(=O)N[C@H](C)c1ccccc1 ZINC000042987303 183326251 /nfs/dbraw/zinc/32/62/51/183326251.db2.gz NIHGZXVTVKCIMX-YPMHNXCESA-N 0 0 321.471 3.532 10 0 DHAERN C[C@@H](N(C)c1cc(Br)ccc1CO)C(C)(C)C ZINC000042772359 183307003 /nfs/dbraw/zinc/30/70/03/183307003.db2.gz VWRWXMNKRPODIX-SNVBAGLBSA-N 0 0 300.240 3.812 10 0 DHAERN O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CCCCC1 ZINC000044112554 183394813 /nfs/dbraw/zinc/39/48/13/183394813.db2.gz ZKQHDFBKGKZLLB-UHFFFAOYSA-N 0 0 305.381 3.652 10 0 DHAERN O[C@]12C[C@H]3C[C@H](C[C@@H](C1)C3Nc1ccc(Br)cc1)C2 ZINC000103567988 193945551 /nfs/dbraw/zinc/94/55/51/193945551.db2.gz MVLNUULFHPBESA-QZKBVICWSA-N 0 0 322.246 3.801 10 0 in-vitro DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)c1 ZINC000105856621 194147901 /nfs/dbraw/zinc/14/79/01/194147901.db2.gz UJGRRNYHNJUJBM-LJQANCHMSA-N 0 0 319.408 3.822 10 0 DHAERN CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)N(C)C)c1 ZINC000106426744 194211905 /nfs/dbraw/zinc/21/19/05/194211905.db2.gz AIVUFDMMXMYHGM-QGZVFWFLSA-N 0 0 314.454 3.520 10 0 DHAERN COc1ccccc1/C=C1\S[C@@H]2Nc3ccccc3N2C1=O ZINC000048512964 183662884 /nfs/dbraw/zinc/66/28/84/183662884.db2.gz FHNOTOHFHZEBIH-XBNGYDHASA-N 0 0 310.378 3.525 10 0 DHAERN O=C(Cc1ccccc1)Cc1ccc(F)c(Br)c1 ZINC000049598104 183746061 /nfs/dbraw/zinc/74/60/61/183746061.db2.gz IYYVEVQJGXEGJH-UHFFFAOYSA-N 0 0 307.162 3.943 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3cc(C)ccc3F)n2)c1 ZINC000057342038 184034260 /nfs/dbraw/zinc/03/42/60/184034260.db2.gz GYKRZBBQNWASRO-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Br)cn1 ZINC000057625853 184042658 /nfs/dbraw/zinc/04/26/58/184042658.db2.gz XQEGNBMJHBZAPX-AXFHLTTASA-N 0 0 309.207 3.609 10 0 DHAERN Cc1ccc(F)cc1C(=O)Nc1cccc(Br)n1 ZINC000059882693 184141938 /nfs/dbraw/zinc/14/19/38/184141938.db2.gz XIAFPOUGMGJIAE-UHFFFAOYSA-N 0 0 309.138 3.544 10 0 DHAERN Nc1onc(C2CCOCC2)c1-c1ccc(Br)cc1 ZINC000061673033 184181911 /nfs/dbraw/zinc/18/19/11/184181911.db2.gz MWJKRWMSAVQICV-UHFFFAOYSA-N 0 0 323.190 3.580 10 0 DHAERN CC(=O)c1ccc(-n2ccc(C3CC3)n2)c(Br)c1 ZINC000061694545 184183385 /nfs/dbraw/zinc/18/33/85/184183385.db2.gz WKKWJLQKVCUVFA-UHFFFAOYSA-N 0 0 305.175 3.715 10 0 DHAERN CC1(C)CCN(CC(=O)c2ccc(Br)s2)CC1 ZINC000061820694 184188458 /nfs/dbraw/zinc/18/84/58/184188458.db2.gz RQDYZOICNBDYST-UHFFFAOYSA-N 0 0 316.264 3.815 10 0 DHAERN CN(C)c1ccccc1NCc1ccc(O)c(Br)c1 ZINC000062702596 184248209 /nfs/dbraw/zinc/24/82/09/184248209.db2.gz KLSQQJYJOVLFNC-UHFFFAOYSA-N 0 0 321.218 3.833 10 0 DHAERN O=C(NC[C@]1(c2ccccc2)CCCOCC1)C1CCCCC1 ZINC000065226088 184315515 /nfs/dbraw/zinc/31/55/15/184315515.db2.gz CUDVFQYRDDVLPV-FQEVSTJZSA-N 0 0 315.457 3.821 10 0 DHAERN NC(=O)c1cc(-c2cc(O)cc(C(F)(F)F)c2)ccc1Cl ZINC000065344369 184326120 /nfs/dbraw/zinc/32/61/20/184326120.db2.gz OWNZFMQESWLAEF-UHFFFAOYSA-N 0 0 315.678 3.830 10 0 DHAERN COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116040296 194712544 /nfs/dbraw/zinc/71/25/44/194712544.db2.gz JZNKYKKZZZEGGF-CYBMUJFWSA-N 0 0 305.761 3.919 10 0 DHAERN CC(C)(C)c1csc(CN2CCC(c3cc[nH]n3)CC2)n1 ZINC000119679762 195015513 /nfs/dbraw/zinc/01/55/13/195015513.db2.gz MGEZACVIEWRWNO-UHFFFAOYSA-N 0 0 304.463 3.543 10 0 DHAERN Cn1c(C(=O)N2CCCC[C@@H]2c2cccnc2)cc2ccccc21 ZINC000248091339 257109640 /nfs/dbraw/zinc/10/96/40/257109640.db2.gz VPERJGFZQKPZFE-GOSISDBHSA-N 0 0 319.408 3.941 10 0 DHAERN COc1cccc(CS(=O)(=O)[C@@H](C)c2cccc(F)c2)c1 ZINC000069633150 184830955 /nfs/dbraw/zinc/83/09/55/184830955.db2.gz OLAODXQILNKYBX-LBPRGKRZSA-N 0 0 308.374 3.510 10 0 DHAERN Cc1cc(CC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000074435507 184984887 /nfs/dbraw/zinc/98/48/87/184984887.db2.gz GEKIFTDLBCTLHR-ZDUSSCGKSA-N 0 0 300.402 3.700 10 0 DHAERN O=C(c1csc(Cl)n1)N1CCCC[C@@H]1c1nccs1 ZINC000274411298 130233018 /nfs/dbraw/zinc/23/30/18/130233018.db2.gz GZCREPQGMZYGCO-SECBINFHSA-N 0 0 313.835 3.620 10 0 DHAERN CCCN1c2ccc(NC(=O)C(CC)CC)cc2O[C@@H](C)C1=O ZINC000012118994 134501287 /nfs/dbraw/zinc/50/12/87/134501287.db2.gz MWHKIGLLARRTHR-LBPRGKRZSA-N 0 0 318.417 3.585 10 0 DHAERN CCCCC[C@@H](C(=O)N[C@H]1CCCn2nc(CC)nc21)C(C)C ZINC000151142575 196637658 /nfs/dbraw/zinc/63/76/58/196637658.db2.gz WRNGXJMHHYYZQI-CABCVRRESA-N 0 0 320.481 3.644 10 0 DHAERN c1cc(N[C@H]2CCN(Cc3ccccc3)c3ccccc32)n[nH]1 ZINC000616675327 435366787 /nfs/dbraw/zinc/36/67/87/435366787.db2.gz PGBMDVJFIGSRED-KRWDZBQOSA-N 0 0 304.397 3.973 10 0 DHAERN Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1C(F)(F)F ZINC000174295058 332850467 /nfs/dbraw/zinc/85/04/67/332850467.db2.gz GLGXUDWJIXLDLS-GHMZBOCLSA-N 0 0 316.323 3.655 10 0 DHAERN CCC[C@](C)(CO)NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000180260514 331565066 /nfs/dbraw/zinc/56/50/66/331565066.db2.gz UTORIURCKYBOSM-ZHALLVOQSA-N 0 0 303.446 3.581 10 0 DHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)c1cccc(N)c1 ZINC000037808899 331586767 /nfs/dbraw/zinc/58/67/67/331586767.db2.gz NLFOFAODPBBXHR-UHFFFAOYSA-N 0 0 302.805 3.973 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000028665395 331608635 /nfs/dbraw/zinc/60/86/35/331608635.db2.gz JBLOLJMXTNTVTL-KRWDZBQOSA-N 0 0 323.392 3.598 10 0 DHAERN CC1(C)C[C@@H](NC(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000255562935 331771956 /nfs/dbraw/zinc/77/19/56/331771956.db2.gz SYAVTAXDWSYTAQ-ZBTGYSDGSA-N 0 0 308.381 3.513 10 0 DHAERN Cc1ccnc(NCC2C[C@H](C)O[C@@H](C)C2)c1Br ZINC000557673068 331807918 /nfs/dbraw/zinc/80/79/18/331807918.db2.gz SFPHPMKEWHYBIQ-QWRGUYRKSA-N 0 0 313.239 3.768 10 0 DHAERN C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000084743079 332005645 /nfs/dbraw/zinc/00/56/45/332005645.db2.gz OHBXUJOGQDXRQL-IUODEOHRSA-N 0 0 309.837 3.592 10 0 DHAERN CC[C@@H](OC(=O)CCc1nc(C)no1)c1cccc(Cl)c1 ZINC000085990459 332017657 /nfs/dbraw/zinc/01/76/57/332017657.db2.gz NULUWJDHRAOXQF-CYBMUJFWSA-N 0 0 308.765 3.659 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(F)ccc2O)o1 ZINC000091743910 332082779 /nfs/dbraw/zinc/08/27/79/332082779.db2.gz HPGWJCYSYCOWTO-CQSZACIVSA-N 0 0 303.333 3.800 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccc1Br ZINC000176525163 332945863 /nfs/dbraw/zinc/94/58/63/332945863.db2.gz JDXYIVNBXJRALQ-ZWKOPEQDSA-N 0 0 308.219 3.672 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1C ZINC000181025135 332173259 /nfs/dbraw/zinc/17/32/59/332173259.db2.gz MVTBBDQMUWYJFK-KBXCAEBGSA-N 0 0 321.848 3.724 10 0 DHAERN CCn1nc(C)c([C@@H](C)[NH2+]CCSc2ccccc2)c1C ZINC000045171807 332295687 /nfs/dbraw/zinc/29/56/87/332295687.db2.gz XNYKYCRNVPBOEO-CYBMUJFWSA-N 0 0 303.475 3.963 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2nc(C(C)C)ncc2Cl)o1 ZINC000050164613 332338501 /nfs/dbraw/zinc/33/85/01/332338501.db2.gz MJQCCHUQCSFTPP-SNVBAGLBSA-N 0 0 307.781 3.646 10 0 DHAERN Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCCC[C@@H]1CO ZINC000151054994 332498967 /nfs/dbraw/zinc/49/89/67/332498967.db2.gz UNPWGCAZASSLCH-RISCZKNCSA-N 0 0 321.417 3.630 10 0 DHAERN Cc1c2cc(F)ccc2sc1C(=O)N[C@H]1CCCC[C@H]1CO ZINC000151055104 332498976 /nfs/dbraw/zinc/49/89/76/332498976.db2.gz UNPWGCAZASSLCH-FZMZJTMJSA-N 0 0 321.417 3.630 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(Br)cc1F ZINC000075375624 334360578 /nfs/dbraw/zinc/36/05/78/334360578.db2.gz ZHJKNTVIVUUQLS-QPUJVOFHSA-N 0 0 300.171 3.507 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151482201 332579710 /nfs/dbraw/zinc/57/97/10/332579710.db2.gz OWDTUUVNMDKLAS-QWHCGFSZSA-N 0 0 318.383 3.987 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccc(C)c(C)c1 ZINC000176764854 332955876 /nfs/dbraw/zinc/95/58/76/332955876.db2.gz FRQRQEAMNSRUCA-QGZVFWFLSA-N 0 0 312.417 3.505 10 0 DHAERN C[C@@H](NC(=O)CCc1ccoc1)c1ccccc1Br ZINC000177065194 332969205 /nfs/dbraw/zinc/96/92/05/332969205.db2.gz BVRNHRHMXQZZTM-LLVKDONJSA-N 0 0 322.202 3.852 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)O1 ZINC000177939574 332999387 /nfs/dbraw/zinc/99/93/87/332999387.db2.gz UWFPLCOGKUBYDK-AYOQOUSVSA-N 0 0 309.409 3.654 10 0 DHAERN CC[C@](C)(CCO)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000178423405 333011342 /nfs/dbraw/zinc/01/13/42/333011342.db2.gz IIKAPXOELMVTQS-RDTXWAMCSA-N 0 0 306.450 3.721 10 0 DHAERN CC(C)c1ccc([C@H](C)NCc2nsc(N(C)C)n2)cc1 ZINC000178494381 333013637 /nfs/dbraw/zinc/01/36/37/333013637.db2.gz PZGBOFGCNYFFCM-LBPRGKRZSA-N 0 0 304.463 3.578 10 0 DHAERN Cc1nc(CN[C@@H](C)c2c(Cl)ccc(F)c2Cl)no1 ZINC000179539262 333025566 /nfs/dbraw/zinc/02/55/66/333025566.db2.gz ALWZNWKRLTXOTG-LURJTMIESA-N 0 0 304.152 3.675 10 0 DHAERN C[C@H](NC(=O)CCc1nc(C2CCCC2)no1)c1cccs1 ZINC000177718294 333131818 /nfs/dbraw/zinc/13/18/18/333131818.db2.gz RLBIYGFNSOTQBC-NSHDSACASA-N 0 0 319.430 3.599 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)O1 ZINC000182038895 333148776 /nfs/dbraw/zinc/14/87/76/333148776.db2.gz QPTVATPGEYQSHH-FZKQIMNGSA-N 0 0 321.380 3.532 10 0 DHAERN c1n[nH]cc1[C@H]1CCCCN1Cc1c[nH]c(-c2ccccc2)n1 ZINC000179688118 333154466 /nfs/dbraw/zinc/15/44/66/333154466.db2.gz ZANGGZYOERPFDD-QGZVFWFLSA-N 0 0 307.401 3.527 10 0 DHAERN COC1(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000184866565 333172844 /nfs/dbraw/zinc/17/28/44/333172844.db2.gz HVXQFXYJSMAPRW-NEPJUHHUSA-N 0 0 307.356 3.573 10 0 DHAERN C[C@H](NC(=O)CCOCC(F)F)c1ccc2ccccc2c1 ZINC000190621526 333272824 /nfs/dbraw/zinc/27/28/24/333272824.db2.gz PLTAWQUSEPYBAP-LBPRGKRZSA-N 0 0 307.340 3.689 10 0 DHAERN C[C@H](NC(=O)c1ccncc1C(F)(F)F)c1cccs1 ZINC000193051158 333298085 /nfs/dbraw/zinc/29/80/85/333298085.db2.gz QYLYVAVUETZVOF-QMMMGPOBSA-N 0 0 300.305 3.653 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000188267283 333362631 /nfs/dbraw/zinc/36/26/31/333362631.db2.gz GOZQLJRRPYHWHK-IWCVFHTOSA-N 0 0 301.430 3.644 10 0 DHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1cccnc1C(F)(F)F ZINC000188359049 333364136 /nfs/dbraw/zinc/36/41/36/333364136.db2.gz AXZISQDAFWSZFR-UHFFFAOYSA-N 0 0 324.346 3.655 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1Cl ZINC000188375908 333364619 /nfs/dbraw/zinc/36/46/19/333364619.db2.gz SBHONSIGSGNXQR-DGCLKSJQSA-N 0 0 311.809 3.881 10 0 DHAERN CCc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000021502273 333388447 /nfs/dbraw/zinc/38/84/47/333388447.db2.gz USTYXLHNZUSQOL-ZDUSSCGKSA-N 0 0 303.427 3.826 10 0 DHAERN CCOC(=O)[C@H](Cc1ccccc1)N[C@H](C)c1cccs1 ZINC000187340059 333430717 /nfs/dbraw/zinc/43/07/17/333430717.db2.gz DUPOHNHMBWEJBA-HIFRSBDPSA-N 0 0 303.427 3.573 10 0 DHAERN CC[N@H+](CCNC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000102066696 334375645 /nfs/dbraw/zinc/37/56/45/334375645.db2.gz XFPBFMUZDSZRIH-CYBMUJFWSA-N 0 0 323.868 3.527 10 0 DHAERN C[C@H](CNC(=O)N[C@H]1C[C@H]1C)c1ccc(C(F)(F)F)cc1 ZINC000187965257 334592529 /nfs/dbraw/zinc/59/25/29/334592529.db2.gz LUHMXBALUIYHII-BREBYQMCSA-N 0 0 300.324 3.517 10 0 DHAERN COc1cccc([C@@H](C)CC(=O)N2CCCc3c(N)cccc32)c1 ZINC000126758293 334862611 /nfs/dbraw/zinc/86/26/11/334862611.db2.gz PLHLZWRYQOUZSZ-AWEZNQCLSA-N 0 0 324.424 3.750 10 0 DHAERN Cn1nccc1C1CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000126680901 334865178 /nfs/dbraw/zinc/86/51/78/334865178.db2.gz KRDBPKNZOGLLHM-UHFFFAOYSA-N 0 0 324.453 3.928 10 0 DHAERN COc1ccc([C@H](C)NC(=O)NCC(C)(C)C(C)C)cc1OC ZINC000189683128 334906311 /nfs/dbraw/zinc/90/63/11/334906311.db2.gz IDVFVSCRIDFULF-ZDUSSCGKSA-N 0 0 322.449 3.746 10 0 DHAERN C[C@@H](NC(=O)NCCc1ccccn1)c1ccc2ccccc2c1 ZINC000054036472 335861380 /nfs/dbraw/zinc/86/13/80/335861380.db2.gz DFMYSKHXGRVFTJ-OAHLLOKOSA-N 0 0 319.408 3.838 10 0 DHAERN Cc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000116209060 335880917 /nfs/dbraw/zinc/88/09/17/335880917.db2.gz NPNMFJGALHWDDQ-CVEARBPZSA-N 0 0 315.363 3.736 10 0 DHAERN CCc1ccc([C@@H](C)NS(=O)(=O)CCc2cccs2)cc1 ZINC000192004126 336011779 /nfs/dbraw/zinc/01/17/79/336011779.db2.gz YCMMBHFRFUNESZ-CYBMUJFWSA-N 0 0 323.483 3.534 10 0 DHAERN CO[C@](C)(C(=O)N[C@H](C)c1ccccc1C)c1ccccc1F ZINC000192076802 336016942 /nfs/dbraw/zinc/01/69/42/336016942.db2.gz LJKXBEVESUKDFZ-KUHUBIRLSA-N 0 0 315.388 3.873 10 0 DHAERN C[C@@H]1CC(c2nc(-c3ccc4c(c3)NC(=O)C4)no2)C[C@@H](C)C1 ZINC000333077538 336197727 /nfs/dbraw/zinc/19/77/27/336197727.db2.gz DVLLIRPCJLDIHR-QWRGUYRKSA-N 0 0 311.385 3.771 10 0 DHAERN Cc1nc2c(nccc2C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)[nH]1 ZINC000333224599 336200071 /nfs/dbraw/zinc/20/00/71/336200071.db2.gz FMDPMIZUBGFQNS-MEDUHNTESA-N 0 0 320.396 3.635 10 0 DHAERN Cc1nc2c(nccc2C(=O)N(C)[C@H](C)c2cc(C)ccc2C)[nH]1 ZINC000333271697 336200997 /nfs/dbraw/zinc/20/09/97/336200997.db2.gz NUTGNTFCJBMWLZ-CYBMUJFWSA-N 0 0 322.412 3.716 10 0 DHAERN Cc1nn(C)c2nccc(N[C@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000333719916 336208800 /nfs/dbraw/zinc/20/88/00/336208800.db2.gz ULMQWJOCQLYUEY-HNNXBMFYSA-N 0 0 322.412 3.991 10 0 DHAERN COC[C@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000103372465 336240361 /nfs/dbraw/zinc/24/03/61/336240361.db2.gz FNOBVSLVIBQSKX-UWVGGRQHSA-N 0 0 304.217 3.795 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000103392643 336241423 /nfs/dbraw/zinc/24/14/23/336241423.db2.gz SNNNLUVANBDWPJ-RISCZKNCSA-N 0 0 317.351 3.801 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000103391254 336241477 /nfs/dbraw/zinc/24/14/77/336241477.db2.gz WTCQIDVXJDQBSP-GJZGRUSLSA-N 0 0 313.397 3.939 10 0 DHAERN Brc1ccsc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000043511824 336263528 /nfs/dbraw/zinc/26/35/28/336263528.db2.gz YSEDVJWXRJEEJK-RYUDHWBXSA-N 0 0 316.264 3.654 10 0 DHAERN Brc1ccsc1CN1CCNc2ccccc21 ZINC000043675799 336270811 /nfs/dbraw/zinc/27/08/11/336270811.db2.gz VLIDDKQLDYLTFZ-UHFFFAOYSA-N 0 0 309.232 3.943 10 0 DHAERN C[C@H](Nc1cc(Cl)nc(N)n1)c1nc(C(C)(C)C)cs1 ZINC000301204788 336294807 /nfs/dbraw/zinc/29/48/07/336294807.db2.gz RVDHWVVBENBZRV-ZETCQYMHSA-N 0 0 311.842 3.639 10 0 DHAERN COc1cc(C)c(Sc2ccc3nccnc3n2)cc1OC ZINC000301259036 336297184 /nfs/dbraw/zinc/29/71/84/336297184.db2.gz UNICTOISIIRFFO-UHFFFAOYSA-N 0 0 313.382 3.502 10 0 DHAERN C[C@@H](Nc1ncnc2nc[nH]c21)c1cc2cc(Cl)ccc2o1 ZINC000301266938 336297795 /nfs/dbraw/zinc/29/77/95/336297795.db2.gz IBTIVYHKUIAFJP-MRVPVSSYSA-N 0 0 313.748 3.926 10 0 DHAERN Cc1cc(NC[C@H](O)c2ccccc2Cl)nc(C(C)C)n1 ZINC000301379247 336303506 /nfs/dbraw/zinc/30/35/06/336303506.db2.gz XPQLWQVGTSSQCP-AWEZNQCLSA-N 0 0 305.809 3.707 10 0 DHAERN Cc1cnc(CCNc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000301408716 336304891 /nfs/dbraw/zinc/30/48/91/336304891.db2.gz IRQXPQTWWLDFDM-UHFFFAOYSA-N 0 0 320.805 3.810 10 0 DHAERN Nc1nc(Cl)cc(N[C@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000301426710 336306011 /nfs/dbraw/zinc/30/60/11/336306011.db2.gz PEBRVFGYWZCRDT-RYUDHWBXSA-N 0 0 306.772 3.600 10 0 DHAERN CCS[C@@H]1CC[C@]1(O)CNc1cc2ccccc2c(Cl)n1 ZINC000301489574 336310005 /nfs/dbraw/zinc/31/00/05/336310005.db2.gz LIPGTUUFYBPDJO-CJNGLKHVSA-N 0 0 322.861 3.947 10 0 DHAERN C[C@@]1(CNc2ccc(-c3ccc(F)cc3)nn2)CCCC[C@H]1O ZINC000301502977 336310815 /nfs/dbraw/zinc/31/08/15/336310815.db2.gz YEFNHAZCUCJFHJ-AEFFLSMTSA-N 0 0 315.392 3.636 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000301527451 336312569 /nfs/dbraw/zinc/31/25/69/336312569.db2.gz GNJLRGDBYHEXGT-QRQYBIJMSA-N 0 0 311.422 3.520 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000301527452 336312625 /nfs/dbraw/zinc/31/26/25/336312625.db2.gz GNJLRGDBYHEXGT-ZNLKAECVSA-N 0 0 311.422 3.520 10 0 DHAERN CSc1ccc(N[C@H](C)c2ccc(OC(F)F)cc2)nn1 ZINC000301553094 336314404 /nfs/dbraw/zinc/31/44/04/336314404.db2.gz VZKUHURRKPORFI-SECBINFHSA-N 0 0 311.357 3.973 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000301566430 336315437 /nfs/dbraw/zinc/31/54/37/336315437.db2.gz QBDCQBBXAVTTNQ-BJFPOWJFSA-N 0 0 320.380 3.592 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ncccc2C(F)(F)F)C1 ZINC000301566436 336315465 /nfs/dbraw/zinc/31/54/65/336315465.db2.gz QBDCQBBXAVTTNQ-NNOLRYQLSA-N 0 0 320.380 3.592 10 0 DHAERN Fc1nc(F)c(F)c(NCc2nccc3ccccc32)c1F ZINC000301586458 336316623 /nfs/dbraw/zinc/31/66/23/336316623.db2.gz BJUPNBZPWBBYQV-UHFFFAOYSA-N 0 0 307.250 3.798 10 0 DHAERN CC(C)(O)CSCCNc1nc(-c2ccccc2)cs1 ZINC000301589188 336316769 /nfs/dbraw/zinc/31/67/69/336316769.db2.gz CGBLYLSLVAACOT-UHFFFAOYSA-N 0 0 308.472 3.726 10 0 DHAERN C[C@@H](CO[C@H]1CCOC1)Nc1ccc2c(Cl)ccnc2c1F ZINC000301589500 336316921 /nfs/dbraw/zinc/31/69/21/336316921.db2.gz XDJREEVUGOAPSQ-QWRGUYRKSA-N 0 0 324.783 3.633 10 0 DHAERN C[C@H](COc1ccc(F)cc1)Nc1c(F)c(F)nc(F)c1F ZINC000301615654 336318458 /nfs/dbraw/zinc/31/84/58/336318458.db2.gz VGNQGOYEDVSPOT-SSDOTTSWSA-N 0 0 318.245 3.657 10 0 DHAERN CC(C)(C)[C@@H](O)CNc1ccc2cccc(Br)c2n1 ZINC000301620130 336318674 /nfs/dbraw/zinc/31/86/74/336318674.db2.gz XLSUKBNOUQAIDY-LBPRGKRZSA-N 0 0 323.234 3.816 10 0 DHAERN O[C@H](CN(c1ncc(Cl)cc1F)C1CC1)c1ccc(F)cc1 ZINC000301667124 336322114 /nfs/dbraw/zinc/32/21/14/336322114.db2.gz MPOATTJXRCFNCL-OAHLLOKOSA-N 0 0 324.758 3.716 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@@H]3CCC(C)C)c2)n1 ZINC000301672518 336322516 /nfs/dbraw/zinc/32/25/16/336322516.db2.gz AOWFLLPQZQXMBD-OAHLLOKOSA-N 0 0 300.406 3.845 10 0 DHAERN CSc1nc2ncnc(N[C@@H](C)c3ccc(C)o3)c2s1 ZINC000301715555 336325343 /nfs/dbraw/zinc/32/53/43/336325343.db2.gz GQKHWNIHOIAOCP-QMMMGPOBSA-N 0 0 306.416 3.883 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301855436 336334469 /nfs/dbraw/zinc/33/44/69/336334469.db2.gz CUDMWAFNJLUUQI-DZGCQCFKSA-N 0 0 307.397 3.954 10 0 DHAERN CC(C)c1nc(CNc2ccc(C(F)(F)F)nn2)cs1 ZINC000302012241 336343053 /nfs/dbraw/zinc/34/30/53/336343053.db2.gz WVUHOZUZXJAZMC-UHFFFAOYSA-N 0 0 302.325 3.687 10 0 DHAERN CN(C)c1ccnc(N[C@@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302031128 336344223 /nfs/dbraw/zinc/34/42/23/336344223.db2.gz SCHHCNIFTAFEIH-CYBMUJFWSA-N 0 0 318.808 3.522 10 0 DHAERN COc1ccc(Sc2nc(C)nc3c2CCCC3)cc1OC ZINC000302034807 336344479 /nfs/dbraw/zinc/34/44/79/336344479.db2.gz DWHAVZXIBWTKCG-UHFFFAOYSA-N 0 0 316.426 3.832 10 0 DHAERN CC(=O)Nc1c(C)cc(Nc2nc(C)nc3c2CCCC3)cc1C ZINC000302057067 336345918 /nfs/dbraw/zinc/34/59/18/336345918.db2.gz ANACBPLJVVYXOU-UHFFFAOYSA-N 0 0 324.428 3.983 10 0 DHAERN C[C@@H]1[C@H](C)SCCN1c1nnc(Cc2ccc(F)cc2)s1 ZINC000302121912 336349601 /nfs/dbraw/zinc/34/96/01/336349601.db2.gz UUEGBBUXEIGRHD-MNOVXSKESA-N 0 0 323.462 3.598 10 0 DHAERN C[C@@H](Nc1nnc(-c2ccccc2Cl)s1)[C@@H]1CCCO1 ZINC000302158218 336351477 /nfs/dbraw/zinc/35/14/77/336351477.db2.gz NQRCDGFDMGKFLU-SKDRFNHKSA-N 0 0 309.822 3.838 10 0 DHAERN CC(C)[C@@H](Nc1nccn2c1nnc2C1CC1)c1ccccc1 ZINC000302192295 336353266 /nfs/dbraw/zinc/35/32/66/336353266.db2.gz BYJUKQWMFZAMMZ-OAHLLOKOSA-N 0 0 307.401 3.811 10 0 DHAERN CCC1(CC)CN(c2nc3ccccc3cc2C)CC[S@]1=O ZINC000302216468 336354385 /nfs/dbraw/zinc/35/43/85/336354385.db2.gz IPSUIBFGIYGQSM-JOCHJYFZSA-N 0 0 316.470 3.671 10 0 DHAERN Cc1cncc(N[C@H]2C[C@@H]2c2ccccc2Br)n1 ZINC000302222630 336354698 /nfs/dbraw/zinc/35/46/98/336354698.db2.gz NBNQCWMKEZTBAI-YPMHNXCESA-N 0 0 304.191 3.516 10 0 DHAERN CC(C)OC(=O)c1cccnc1N1CCC[C@H]1c1ccco1 ZINC000302236865 336355677 /nfs/dbraw/zinc/35/56/77/336355677.db2.gz VWFRWGSNLQMTOS-AWEZNQCLSA-N 0 0 300.358 3.581 10 0 DHAERN Cc1csc2nc(C)nc(N[C@H]3CCCCC[C@H]3CO)c12 ZINC000302312654 336357106 /nfs/dbraw/zinc/35/71/06/336357106.db2.gz TYWUIYKMXYRSMG-STQMWFEESA-N 0 0 305.447 3.661 10 0 DHAERN Cc1csc2nc(C)nc(N[C@@H]3CCCCC[C@@H]3CO)c12 ZINC000302312648 336357145 /nfs/dbraw/zinc/35/71/45/336357145.db2.gz TYWUIYKMXYRSMG-CHWSQXEVSA-N 0 0 305.447 3.661 10 0 DHAERN O[C@H](CNc1ccnc2c(F)cc(F)cc12)Cc1ccccc1 ZINC000302508967 336360342 /nfs/dbraw/zinc/36/03/42/336360342.db2.gz NOEOHVUODXAXPO-AWEZNQCLSA-N 0 0 314.335 3.529 10 0 DHAERN O=C1CCc2cc(Oc3cnc4cc(F)c(F)cc4n3)ccc21 ZINC000302521247 336360711 /nfs/dbraw/zinc/36/07/11/336360711.db2.gz IRICHPKAQRYLIR-UHFFFAOYSA-N 0 0 312.275 3.829 10 0 DHAERN CCOC(=O)[C@H]1CC[C@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302526419 336360806 /nfs/dbraw/zinc/36/08/06/336360806.db2.gz OUNBESRKSZEBQQ-JQWIXIFHSA-N 0 0 320.339 3.657 10 0 DHAERN CC1(C)[C@H](Nc2ccnc3c(F)cc(F)cc23)[C@H]2CCO[C@H]21 ZINC000302557169 336361503 /nfs/dbraw/zinc/36/15/03/336361503.db2.gz YRGLVCZKPUYAND-UHNFBRDESA-N 0 0 304.340 3.738 10 0 DHAERN O=C(c1ccc(Br)c(Cl)c1)N1C[C@H]2CCC[C@H]21 ZINC000357257986 336578294 /nfs/dbraw/zinc/57/82/94/336578294.db2.gz SAFYDSRYNCWOAR-BXKDBHETSA-N 0 0 314.610 3.727 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)nn1C(C)(C)C ZINC000116040532 336830322 /nfs/dbraw/zinc/83/03/22/336830322.db2.gz IUBRIHSHGQDTDW-CQSZACIVSA-N 0 0 301.390 3.517 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3ccccc3)nn2)o1 ZINC000120318693 336908285 /nfs/dbraw/zinc/90/82/85/336908285.db2.gz PWEBYMIWOJVWRX-CYBMUJFWSA-N 0 0 322.368 3.928 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000120418115 336911793 /nfs/dbraw/zinc/91/17/93/336911793.db2.gz JCDHOZILQJRTQB-ZIAGYGMSSA-N 0 0 305.368 3.765 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)O1 ZINC000120547221 336915080 /nfs/dbraw/zinc/91/50/80/336915080.db2.gz PKEVKDOJBVBGBB-ZWNOBZJWSA-N 0 0 301.308 3.688 10 0 DHAERN C[C@H](Cc1ccccc1F)C(=O)N1CCC[C@H]1c1ccco1 ZINC000120848199 336923383 /nfs/dbraw/zinc/92/33/83/336923383.db2.gz OFEHAZHRMPIQGV-CJNGLKHVSA-N 0 0 301.361 3.961 10 0 DHAERN CC1(C)C[C@@H](NC(=O)CCC2CCOCC2)c2ccccc2O1 ZINC000121510897 336961779 /nfs/dbraw/zinc/96/17/79/336961779.db2.gz LHGJXOPXVUTKBS-MRXNPFEDSA-N 0 0 317.429 3.612 10 0 DHAERN CC(C)CCC[C@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122385713 337005580 /nfs/dbraw/zinc/00/55/80/337005580.db2.gz JBRFKEJWKKZWPF-INIZCTEOSA-N 0 0 320.481 3.520 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3ccc(F)c(Cl)c3)C2)c1 ZINC000123004885 337033804 /nfs/dbraw/zinc/03/38/04/337033804.db2.gz QGKGMXPFDQMIIO-AWEZNQCLSA-N 0 0 307.800 3.821 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193851996 337079557 /nfs/dbraw/zinc/07/95/57/337079557.db2.gz NAVCTAZJBYGNHE-KBXCAEBGSA-N 0 0 308.425 3.941 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000193971147 337080903 /nfs/dbraw/zinc/08/09/03/337080903.db2.gz GQBGWMBRFFAMGF-GRDNDAEWSA-N 0 0 303.446 3.834 10 0 DHAERN O=C(NCCCOc1ccccc1)N1CCC[C@@H]1c1ccco1 ZINC000172112817 337089951 /nfs/dbraw/zinc/08/99/51/337089951.db2.gz BZYSKLYKNRRFCD-MRXNPFEDSA-N 0 0 314.385 3.595 10 0 DHAERN c1coc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)c1 ZINC000172026956 337091081 /nfs/dbraw/zinc/09/10/81/337091081.db2.gz ZPBMATFXCAAERC-NSHDSACASA-N 0 0 301.371 3.728 10 0 DHAERN C[C@@H](NC(=O)Nc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000172641538 337129104 /nfs/dbraw/zinc/12/91/04/337129104.db2.gz DRWKZWGROMMXMI-GFCCVEGCSA-N 0 0 312.398 3.817 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)C3=CCCCO3)C2)n1 ZINC000173257335 337133876 /nfs/dbraw/zinc/13/38/76/337133876.db2.gz IEKPGRZMMRGYFJ-CYBMUJFWSA-N 0 0 320.458 3.667 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173325516 337134635 /nfs/dbraw/zinc/13/46/35/337134635.db2.gz VGHQEKMELVQZMK-KRWDZBQOSA-N 0 0 322.339 3.684 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3C)C2)n1 ZINC000173431730 337135358 /nfs/dbraw/zinc/13/53/58/337135358.db2.gz GPRKKUVTCCIKSI-CQSZACIVSA-N 0 0 300.427 3.780 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC000173429195 337135367 /nfs/dbraw/zinc/13/53/67/337135367.db2.gz MSVZKBOSDRPRNA-OAHLLOKOSA-N 0 0 300.427 3.780 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc[nH]c3=S)C2)n1 ZINC000173588571 337136573 /nfs/dbraw/zinc/13/65/73/337136573.db2.gz DPPUMBNSVKBXLU-LLVKDONJSA-N 0 0 319.455 3.529 10 0 DHAERN Cc1cc2cc(C(=O)N3CCC(c4cc[nH]n4)CC3)oc2cc1C ZINC000173631262 337136969 /nfs/dbraw/zinc/13/69/69/337136969.db2.gz BHYLCBVXCIALHH-UHFFFAOYSA-N 0 0 323.396 3.793 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ncccc3C)C2)n1 ZINC000173649401 337137140 /nfs/dbraw/zinc/13/71/40/337137140.db2.gz UAPOYSOOQUNRPV-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN C[C@H](NC(=O)c1cccc(F)c1)c1cccc(-n2ccnc2)c1 ZINC000173948439 337137873 /nfs/dbraw/zinc/13/78/73/337137873.db2.gz BGQNDXFMGAAQNJ-ZDUSSCGKSA-N 0 0 309.344 3.502 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 ZINC000173992120 337140331 /nfs/dbraw/zinc/14/03/31/337140331.db2.gz NYZCXKISUFKQOO-CYBMUJFWSA-N 0 0 307.463 3.673 10 0 DHAERN Cc1nc(CCCC(=O)NC2C3CC4CC(C3)CC2C4)cs1 ZINC000175268812 337146653 /nfs/dbraw/zinc/14/66/53/337146653.db2.gz XWWODOQSLGZVDB-UHFFFAOYSA-N 0 0 318.486 3.715 10 0 DHAERN Cc1ccccc1Cc1noc(CN2CCC[C@H]2c2ccco2)n1 ZINC000175679845 337147035 /nfs/dbraw/zinc/14/70/35/337147035.db2.gz GGYXPGFZJFFSSJ-INIZCTEOSA-N 0 0 323.396 3.899 10 0 DHAERN CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ccco1 ZINC000175704374 337147226 /nfs/dbraw/zinc/14/72/26/337147226.db2.gz ZZVDNIXBVPRCNL-LSDHHAIUSA-N 0 0 317.360 3.940 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175990047 337150030 /nfs/dbraw/zinc/15/00/30/337150030.db2.gz FUJFVVKBLQYNGL-HNNXBMFYSA-N 0 0 306.454 3.658 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc3[nH]ccc32)no1 ZINC000176472304 337151436 /nfs/dbraw/zinc/15/14/36/337151436.db2.gz NIWYLYLXKYHNNV-HNNXBMFYSA-N 0 0 324.384 3.652 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(OC)cs2)C12CCCC2 ZINC000176892058 337153511 /nfs/dbraw/zinc/15/35/11/337153511.db2.gz FNNJIEUZGDQEEL-GJZGRUSLSA-N 0 0 323.458 3.567 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)C[C@H](C)C1CCCCC1 ZINC000177167015 337154564 /nfs/dbraw/zinc/15/45/64/337154564.db2.gz LTRLKTJFYXJNTE-MAUKXSAKSA-N 0 0 317.477 3.789 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000177190974 337154703 /nfs/dbraw/zinc/15/47/03/337154703.db2.gz NGODJBYBGCJTQS-SFHVURJKSA-N 0 0 317.477 3.933 10 0 DHAERN CCCCCCNC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177339075 337156906 /nfs/dbraw/zinc/15/69/06/337156906.db2.gz GKUXVWFAQXUIHN-ZDUSSCGKSA-N 0 0 308.426 3.620 10 0 DHAERN CC(=O)CCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000178006084 337159541 /nfs/dbraw/zinc/15/95/41/337159541.db2.gz SBMODQAABIALLQ-MFKMUULPSA-N 0 0 314.212 3.582 10 0 DHAERN Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)c1cccs1 ZINC000178207966 337161370 /nfs/dbraw/zinc/16/13/70/337161370.db2.gz ZTVDOYXMOKXKCT-JTQLQIEISA-N 0 0 313.382 3.598 10 0 DHAERN Cn1ncc2c1CCC[C@H]2N[C@@H](c1ccccc1)c1cccnc1 ZINC000178614909 337165537 /nfs/dbraw/zinc/16/55/37/337165537.db2.gz JQXWIVVFWOXUDV-QUCCMNQESA-N 0 0 318.424 3.572 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)c2cccc(N)c2)cc1 ZINC000178630967 337165690 /nfs/dbraw/zinc/16/56/90/337165690.db2.gz YSDVAWFEDFQNFC-AWEZNQCLSA-N 0 0 312.413 3.795 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cc(F)ccc2Br)o1 ZINC000220913887 337167145 /nfs/dbraw/zinc/16/71/45/337167145.db2.gz CURYUUYVRFIRTH-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000178886160 337167358 /nfs/dbraw/zinc/16/73/58/337167358.db2.gz MQVQCRVLQVXDPT-JKSUJKDBSA-N 0 0 317.477 3.825 10 0 DHAERN Cc1cc(C)c(CC(=O)N[C@@H]2CCOc3ccccc32)c(C)c1 ZINC000179647318 337170682 /nfs/dbraw/zinc/17/06/82/337170682.db2.gz SRAATPQDVYKXFH-GOSISDBHSA-N 0 0 309.409 3.794 10 0 DHAERN Cc1scc(C(=O)N[C@H](C)COCc2ccccc2)c1C ZINC000179948865 337172634 /nfs/dbraw/zinc/17/26/34/337172634.db2.gz UKJAYCFBNKBFDF-GFCCVEGCSA-N 0 0 303.427 3.700 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(F)cc2cccnc21 ZINC000179986740 337172934 /nfs/dbraw/zinc/17/29/34/337172934.db2.gz OJPZOIWIOUUOAO-INIZCTEOSA-N 0 0 322.339 3.628 10 0 DHAERN Cc1ccc(C[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000179973334 337172948 /nfs/dbraw/zinc/17/29/48/337172948.db2.gz KJEVFMQRVCDQAE-QAPCUYQASA-N 0 0 309.409 3.814 10 0 DHAERN Cc1cc(CN2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000180427779 337174555 /nfs/dbraw/zinc/17/45/55/337174555.db2.gz XVEJNRLCKGHQCO-CQSZACIVSA-N 0 0 308.834 3.678 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000180582099 337176522 /nfs/dbraw/zinc/17/65/22/337176522.db2.gz MAHBRQKCZNRVFV-YXJHDRRASA-N 0 0 319.420 3.915 10 0 DHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180786007 337177925 /nfs/dbraw/zinc/17/79/25/337177925.db2.gz RVVWEQYYUOXJBQ-GOSISDBHSA-N 0 0 322.412 3.577 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000180939117 337178866 /nfs/dbraw/zinc/17/88/66/337178866.db2.gz ARCSPPQUKGIKNN-HNNXBMFYSA-N 0 0 305.466 3.733 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CCO1 ZINC000180802280 337180006 /nfs/dbraw/zinc/18/00/06/337180006.db2.gz UEAQMQMLWLMXOX-RBSFLKMASA-N 0 0 322.474 3.792 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CCO1 ZINC000180802322 337180108 /nfs/dbraw/zinc/18/01/08/337180108.db2.gz UEAQMQMLWLMXOX-RRFJBIMHSA-N 0 0 322.474 3.792 10 0 DHAERN CC(=O)Nc1ccc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cc1 ZINC000181241778 337180637 /nfs/dbraw/zinc/18/06/37/337180637.db2.gz BDXIGADMMMYTNF-DJJJIMSYSA-N 0 0 322.408 3.617 10 0 DHAERN Cc1ccc2c(c1)[C@H](Nc1cnn(Cc3ccncc3)c1)[C@@H](C)C2 ZINC000181166817 337182118 /nfs/dbraw/zinc/18/21/18/337182118.db2.gz QENBJPNLMSJUNP-MGPUTAFESA-N 0 0 318.424 3.980 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000181863811 337184980 /nfs/dbraw/zinc/18/49/80/337184980.db2.gz CUNJCUFSVUPVGD-STQMWFEESA-N 0 0 324.387 3.612 10 0 DHAERN Clc1cnc(CN2CCCC[C@H]2c2cn[nH]c2)c(Cl)c1 ZINC000182663796 337189417 /nfs/dbraw/zinc/18/94/17/337189417.db2.gz HUGQQXIVGOOTDM-AWEZNQCLSA-N 0 0 311.216 3.839 10 0 DHAERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183006106 337191045 /nfs/dbraw/zinc/19/10/45/337191045.db2.gz PENATQWNUFCFDD-ZFWWWQNUSA-N 0 0 306.454 3.861 10 0 DHAERN O=C(c1scnc1C1CCCC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000184066322 337195894 /nfs/dbraw/zinc/19/58/94/337195894.db2.gz YZUIPNBGISDQSR-KBPBESRZSA-N 0 0 320.458 3.584 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2C[C@H](C)C[C@@H](C)C2)no1 ZINC000184068783 337195898 /nfs/dbraw/zinc/19/58/98/337195898.db2.gz POVMHVQYJPJLCZ-UMVBOHGHSA-N 0 0 319.449 3.929 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3cc(C)ccn3)C2)n1 ZINC000184131348 337196483 /nfs/dbraw/zinc/19/64/83/337196483.db2.gz DVTWZQNPSUYVFU-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN COc1ccc([C@@H](C)CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184064246 337197035 /nfs/dbraw/zinc/19/70/35/337197035.db2.gz XJUPZJUQDIIFPI-SCLBCKFNSA-N 0 0 313.397 3.727 10 0 DHAERN CCCCn1cc(C(=O)N2CCC[C@H]2c2ccco2)c(C)n1 ZINC000184551519 337198401 /nfs/dbraw/zinc/19/84/01/337198401.db2.gz SWHRXOFLTKARAP-HNNXBMFYSA-N 0 0 301.390 3.562 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2cc(C)ccc2Br)o1 ZINC000226613101 337199817 /nfs/dbraw/zinc/19/98/17/337199817.db2.gz SUHWEGZNTNNOJH-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN CSCc1ccccc1NC(=O)N[C@H]1COc2ccccc21 ZINC000184764985 337200913 /nfs/dbraw/zinc/20/09/13/337200913.db2.gz NFKZIVYGLKGKQG-HNNXBMFYSA-N 0 0 314.410 3.805 10 0 DHAERN Cc1c(-c2cc(COc3cccc(Cl)c3)on2)cnn1C ZINC000185117377 337203173 /nfs/dbraw/zinc/20/31/73/337203173.db2.gz GHCPOOLZHVZVME-UHFFFAOYSA-N 0 0 303.749 3.616 10 0 DHAERN Cc1nnc([C@H](C)N[C@H](C)c2c(Cl)ccc(F)c2Cl)[nH]1 ZINC000392356150 337205185 /nfs/dbraw/zinc/20/51/85/337205185.db2.gz SVLVBHJPQDBXPF-RQJHMYQMSA-N 0 0 317.195 3.971 10 0 DHAERN O=C(c1cc(Cl)cc(Cl)n1)N1CCC[C@H]1c1ccco1 ZINC000185637579 337249844 /nfs/dbraw/zinc/24/98/44/337249844.db2.gz QOWVZTUBEYMXNP-NSHDSACASA-N 0 0 311.168 3.959 10 0 DHAERN CC1(C)C[C@@H](NC(=O)N2CCCC3(CC3)C2)c2ccccc2O1 ZINC000185859821 337252009 /nfs/dbraw/zinc/25/20/09/337252009.db2.gz AIIOYKIPLLVXEI-OAHLLOKOSA-N 0 0 314.429 3.874 10 0 DHAERN CSCCCCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000186198592 337254404 /nfs/dbraw/zinc/25/44/04/337254404.db2.gz GNNVJGBBZSNDNI-INIZCTEOSA-N 0 0 306.475 3.897 10 0 DHAERN CCOc1ccc(N[C@H]2C[C@@H](OCC)C23CCOCC3)c(C)c1 ZINC000186445602 337256212 /nfs/dbraw/zinc/25/62/12/337256212.db2.gz MGQBAJJJANOGTL-ZWKOTPCHSA-N 0 0 319.445 3.780 10 0 DHAERN COc1cc(NC(=O)N2CCC[C@H]2c2ccco2)ccc1F ZINC000187133807 337262937 /nfs/dbraw/zinc/26/29/37/337262937.db2.gz IZEXAYFBMHWHHZ-ZDUSSCGKSA-N 0 0 304.321 3.796 10 0 DHAERN Fc1ccc([C@H](N[C@@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697702 337269225 /nfs/dbraw/zinc/26/92/25/337269225.db2.gz QRPFHXKZSLOVJL-AEFFLSMTSA-N 0 0 323.371 3.752 10 0 DHAERN CCCn1ccc2ccc(NC(=O)[C@@H]3CCCO[C@@H]3C)cc21 ZINC000188592028 337272761 /nfs/dbraw/zinc/27/27/61/337272761.db2.gz YRNMAAXOYHGTSB-CZUORRHYSA-N 0 0 300.402 3.805 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)c1ccc(Br)s1 ZINC000063187886 337275758 /nfs/dbraw/zinc/27/57/58/337275758.db2.gz XZRMCMDYCIOXLJ-UHFFFAOYSA-N 0 0 323.215 3.731 10 0 DHAERN C[C@@H](NCc1noc(-c2ccc(F)cc2F)n1)c1cccs1 ZINC000189189890 337277240 /nfs/dbraw/zinc/27/72/40/337277240.db2.gz CKZCKDQZPVLJEC-SECBINFHSA-N 0 0 321.352 3.927 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1Cc1ccc(F)nc1 ZINC000189321880 337278713 /nfs/dbraw/zinc/27/87/13/337278713.db2.gz COZASUAHZQVEQA-INIZCTEOSA-N 0 0 300.377 3.573 10 0 DHAERN Cc1nc(CC2CC2)sc1C(=O)N[C@@H](C)c1cccs1 ZINC000189624976 337280839 /nfs/dbraw/zinc/28/08/39/337280839.db2.gz BADYMISHDSGSJF-VIFPVBQESA-N 0 0 306.456 3.957 10 0 DHAERN CN(Cc1ccccc1N1CCCC1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000063465162 337281823 /nfs/dbraw/zinc/28/18/23/337281823.db2.gz XSWZIIHWTIOQJT-DLBZAZTESA-N 0 0 324.424 3.642 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000189771538 337281913 /nfs/dbraw/zinc/28/19/13/337281913.db2.gz OOWQNNRTBHCYRJ-BFHYXJOUSA-N 0 0 324.490 3.909 10 0 DHAERN CCn1ccnc1CNc1cccc(Cl)c1Br ZINC000190089961 337284579 /nfs/dbraw/zinc/28/45/79/337284579.db2.gz HODPHUDBRMLVML-UHFFFAOYSA-N 0 0 314.614 3.931 10 0 DHAERN Cc1cc(Br)cc(NC(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000190398960 337285901 /nfs/dbraw/zinc/28/59/01/337285901.db2.gz DKAVPMNSSSQXTO-GWCFXTLKSA-N 0 0 312.207 3.511 10 0 DHAERN CC(C)(C)n1nccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000190501728 337288726 /nfs/dbraw/zinc/28/87/26/337288726.db2.gz YBYBFPCWVVTLSC-GFCCVEGCSA-N 0 0 302.378 3.600 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(CCC(F)(F)F)Cc2ccccc2)O1 ZINC000191944483 337301330 /nfs/dbraw/zinc/30/13/30/337301330.db2.gz VLHOFRQRNSLQDD-TZMCWYRMSA-N 0 0 315.335 3.535 10 0 DHAERN CCC/C(=C/C[C@]1(C)C(=O)CC[C@@H]1O)c1ccc(OC)cc1 ZINC000584603194 337371151 /nfs/dbraw/zinc/37/11/51/337371151.db2.gz MKRNABORWAOGCY-JGFBZULESA-N 0 0 302.414 3.999 10 0 DHAERN O=C(Cc1cccc2nccn21)Nc1ccc(F)c(C(F)F)c1 ZINC000584605275 337371437 /nfs/dbraw/zinc/37/14/37/337371437.db2.gz KIPOXXWXQBDQGK-UHFFFAOYSA-N 0 0 319.286 3.592 10 0 DHAERN O=C(Cc1cccc2nccn21)Nc1ccc(C2CC2)c(F)c1 ZINC000584605481 337371600 /nfs/dbraw/zinc/37/16/00/337371600.db2.gz QATATSNIURJHBT-UHFFFAOYSA-N 0 0 309.344 3.532 10 0 DHAERN CC(=O)Nc1nc(-c2cc(F)cc(C(F)(F)F)c2)cs1 ZINC000584591221 337373482 /nfs/dbraw/zinc/37/34/82/337373482.db2.gz TXNXEUMZUOBERJ-UHFFFAOYSA-N 0 0 304.268 3.926 10 0 DHAERN C[C@H](C(=O)c1ccc(OC(F)(F)F)cc1)n1cc(Cl)cn1 ZINC000584621069 337374825 /nfs/dbraw/zinc/37/48/25/337374825.db2.gz OYSDDOWAFFLLDH-MRVPVSSYSA-N 0 0 318.682 3.879 10 0 DHAERN O=C(Oc1ccccc1)N1CC[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000584620849 337374857 /nfs/dbraw/zinc/37/48/57/337374857.db2.gz GJZSCQYYDVDQNI-RDJZCZTQSA-N 0 0 315.344 3.523 10 0 DHAERN O=C(Oc1ccccc1)N1CCC(=O)C[C@@H]1c1ccc(F)cc1 ZINC000584620831 337374874 /nfs/dbraw/zinc/37/48/74/337374874.db2.gz AYFGDURKRAHIEO-QGZVFWFLSA-N 0 0 313.328 3.731 10 0 DHAERN CCCCC1(C)CC(=O)N([C@@H](C)Cc2ccccc2)C(=O)C1 ZINC000584624150 337375383 /nfs/dbraw/zinc/37/53/83/337375383.db2.gz BROJWAOHTDWLSN-HNNXBMFYSA-N 0 0 301.430 3.963 10 0 DHAERN CN1c2cc(-c3cc(-c4ccncc4)no3)ccc2C(C)(C)C1=O ZINC000584625778 337375675 /nfs/dbraw/zinc/37/56/75/337375675.db2.gz RLMXTTRZFCCAOV-UHFFFAOYSA-N 0 0 319.364 3.658 10 0 DHAERN O=C1Nc2cc(F)ccc2O[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584626485 337376097 /nfs/dbraw/zinc/37/60/97/337376097.db2.gz OPCHDRUGPNKBCE-ZDUSSCGKSA-N 0 0 311.234 3.917 10 0 DHAERN O=C1[C@H](c2ccc(F)cc2)CCN1c1ccc(-c2cn[nH]c2)cc1 ZINC000584629471 337376419 /nfs/dbraw/zinc/37/64/19/337376419.db2.gz HIHIYBBZHNELCO-SFHVURJKSA-N 0 0 321.355 3.736 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)C(=O)N[S@](=O)C(C)(C)C)cc1 ZINC000584654415 337377686 /nfs/dbraw/zinc/37/76/86/337377686.db2.gz ZZRLYSLISDWONK-LRTDBIEQSA-N 0 0 309.475 3.567 10 0 DHAERN Cn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N ZINC000584655144 337377852 /nfs/dbraw/zinc/37/78/52/337377852.db2.gz SWWLNKVJXUZPEU-UHFFFAOYSA-N 0 0 301.349 3.980 10 0 DHAERN CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CCCCC[C@@H]32)cc1 ZINC000584660239 337378327 /nfs/dbraw/zinc/37/83/27/337378327.db2.gz UQEHQJGIBBFUGD-BYICEURKSA-N 0 0 307.459 3.690 10 0 DHAERN CCCC[C@H](CC)CN1C(=O)c2cc3nsnc3cc2C1=O ZINC000584638506 337379637 /nfs/dbraw/zinc/37/96/37/337379637.db2.gz BYKVLTJCGQJSIJ-JTQLQIEISA-N 0 0 317.414 3.504 10 0 DHAERN CC[C@@H](CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C(C)C ZINC000105851151 337386849 /nfs/dbraw/zinc/38/68/49/337386849.db2.gz KVSBOCJDXFTQKL-HOTGVXAUSA-N 0 0 305.466 3.773 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1csc(C(C)C)n1 ZINC000106207105 337387111 /nfs/dbraw/zinc/38/71/11/337387111.db2.gz WAKMYRXYGWKDEN-HNNXBMFYSA-N 0 0 318.490 3.954 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)o1 ZINC000110074167 337388695 /nfs/dbraw/zinc/38/86/95/337388695.db2.gz UQLLTPRJMWCPHA-LBPRGKRZSA-N 0 0 310.357 3.861 10 0 DHAERN Cc1[nH]c2ccc(C(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2c1C ZINC000113891757 337391260 /nfs/dbraw/zinc/39/12/60/337391260.db2.gz BMBXTJBKRVVEOE-SFHVURJKSA-N 0 0 322.412 3.875 10 0 DHAERN Cc1ccc(SCC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113890178 337391325 /nfs/dbraw/zinc/39/13/25/337391325.db2.gz PPKAXZUMFYJSGY-INIZCTEOSA-N 0 0 315.442 3.564 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000114511440 337391566 /nfs/dbraw/zinc/39/15/66/337391566.db2.gz JCRYEWPYWPPVOM-OAHLLOKOSA-N 0 0 316.380 3.545 10 0 DHAERN CCSc1cc(C(=O)N2CCC[C@@H]2c2ccco2)ccn1 ZINC000116041552 337392288 /nfs/dbraw/zinc/39/22/88/337392288.db2.gz WZEFHLWIOGMJHA-CYBMUJFWSA-N 0 0 302.399 3.764 10 0 DHAERN O=C(c1c(Cl)nc2ccccn21)N1CCC[C@@H]1c1ccco1 ZINC000116211495 337392609 /nfs/dbraw/zinc/39/26/09/337392609.db2.gz SJRDMEVAYWJAJK-LLVKDONJSA-N 0 0 315.760 3.558 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC(c2nncn2CC)CC1 ZINC000117254554 337393198 /nfs/dbraw/zinc/39/31/98/337393198.db2.gz HLKTWXCXVUQKCF-OAHLLOKOSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)c1cccc(N)c1 ZINC000037362248 337395509 /nfs/dbraw/zinc/39/55/09/337395509.db2.gz PQPNAROVDGUTGF-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CCCCCC(C)(C)CNC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000123745351 337400989 /nfs/dbraw/zinc/40/09/89/337400989.db2.gz WFKDEVMAZWGBJU-HNNXBMFYSA-N 0 0 320.481 3.526 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC000124651618 337406690 /nfs/dbraw/zinc/40/66/90/337406690.db2.gz RHMVMPNJAMMNCJ-HIFRSBDPSA-N 0 0 322.474 3.542 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3cccc(C)n3)C2)n1 ZINC000124725713 337407098 /nfs/dbraw/zinc/40/70/98/337407098.db2.gz BNEOFCYBXVFCEA-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN CCC[C@](C)(O)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000126758831 337417756 /nfs/dbraw/zinc/41/77/56/337417756.db2.gz RSTQHEAQEWWMJK-GUYCJALGSA-N 0 0 324.490 3.524 10 0 DHAERN Cc1c(C(=O)N2CC=C(c3ccccc3)CC2)cnn1C(C)(C)C ZINC000044884952 337417828 /nfs/dbraw/zinc/41/78/28/337417828.db2.gz RDJQMXVAGULSCU-UHFFFAOYSA-N 0 0 323.440 3.876 10 0 DHAERN Cc1cc(CN2CCC[C@H]2c2noc(C(C)C)n2)ccc1F ZINC000127809755 337422600 /nfs/dbraw/zinc/42/26/00/337422600.db2.gz FENCSDVERYSUBE-HNNXBMFYSA-N 0 0 303.381 3.978 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CC[C@H](C)C1 ZINC000128883788 337427112 /nfs/dbraw/zinc/42/71/12/337427112.db2.gz LQQDYVBWTMCGAF-RCBQFDQVSA-N 0 0 303.450 3.527 10 0 DHAERN O=C(CSC(F)(F)F)N1CC=C(c2ccccc2)CC1 ZINC000048097813 337432364 /nfs/dbraw/zinc/43/23/64/337432364.db2.gz VSUPAJMZDWKNAZ-UHFFFAOYSA-N 0 0 301.333 3.555 10 0 DHAERN C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(Cl)s1 ZINC000130871315 337434852 /nfs/dbraw/zinc/43/48/52/337434852.db2.gz OSLGBSFTJREXGK-NXEZZACHSA-N 0 0 310.854 3.741 10 0 DHAERN C[C@H](N[C@H]1CC(C)(C)Cc2occc21)c1nnc2n1CCCC2 ZINC000130910893 337435216 /nfs/dbraw/zinc/43/52/16/337435216.db2.gz YONJBDDJGKSMMJ-JSGCOSHPSA-N 0 0 314.433 3.572 10 0 DHAERN CC(C)c1ccccc1NC(=O)C(=O)N[C@H](C)c1cccs1 ZINC000048880042 337435987 /nfs/dbraw/zinc/43/59/87/337435987.db2.gz WZRPTUYDGLYECR-GFCCVEGCSA-N 0 0 316.426 3.687 10 0 DHAERN CCc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)s1 ZINC000131147511 337436459 /nfs/dbraw/zinc/43/64/59/337436459.db2.gz POXOTTGCBRGXTO-VXGBXAGGSA-N 0 0 304.463 3.650 10 0 DHAERN O=C(/C=C/c1ccc(Cl)nc1)N1CCC[C@H]1c1ccco1 ZINC000134969170 337450145 /nfs/dbraw/zinc/45/01/45/337450145.db2.gz SRPZYEKOIYYJJI-CFNZNRNTSA-N 0 0 302.761 3.705 10 0 DHAERN CCN(Cc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000053961982 337452777 /nfs/dbraw/zinc/45/27/77/337452777.db2.gz DTUQMQGDXRCYJD-KRWDZBQOSA-N 0 0 310.397 3.742 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000055070879 337454709 /nfs/dbraw/zinc/45/47/09/337454709.db2.gz KAVRXUFSXNIANY-ZDUSSCGKSA-N 0 0 315.417 3.761 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1ccc(Cl)cc1Cl ZINC000058727053 337458756 /nfs/dbraw/zinc/45/87/56/337458756.db2.gz LXNUVOLCDVRGAN-ZDUSSCGKSA-N 0 0 308.164 3.857 10 0 DHAERN CC[C@H](C)Sc1ccc(NC(=O)C(=O)N(CC)CC)c(C)c1 ZINC000195038424 337464750 /nfs/dbraw/zinc/46/47/50/337464750.db2.gz RZZZDLYASUQDHI-ZDUSSCGKSA-N 0 0 322.474 3.693 10 0 DHAERN Cn1c(CN2CCCC[C@H]2c2nccs2)nc2ccccc21 ZINC000195372988 337466281 /nfs/dbraw/zinc/46/62/81/337466281.db2.gz DUWSUGOZGZWNLA-HNNXBMFYSA-N 0 0 312.442 3.757 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1c(Cl)ccc(F)c1Cl ZINC000246059950 337508249 /nfs/dbraw/zinc/50/82/49/337508249.db2.gz RBVOJRVZYWBBQB-XLDPMVHQSA-N 0 0 320.191 3.877 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000248558485 337564674 /nfs/dbraw/zinc/56/46/74/337564674.db2.gz MAHBRQKCZNRVFV-LESCRADOSA-N 0 0 319.420 3.915 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C)oc3C)C2)cc1 ZINC000078187339 337592202 /nfs/dbraw/zinc/59/22/02/337592202.db2.gz RVFAXDJPVUJCJR-LRDDRELGSA-N 0 0 313.397 3.923 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccsc3)C2)cc1 ZINC000078186692 337592272 /nfs/dbraw/zinc/59/22/72/337592272.db2.gz RWDSYMUXITUVBX-IUODEOHRSA-N 0 0 301.411 3.775 10 0 DHAERN Cc1ccc(NC(=O)[C@@H](C)N2CCCc3c(N)cccc32)c(C)c1 ZINC000261749370 337609764 /nfs/dbraw/zinc/60/97/64/337609764.db2.gz JMXBFNLQFDBPGC-OAHLLOKOSA-N 0 0 323.440 3.665 10 0 DHAERN Nc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1 ZINC000262237380 337616039 /nfs/dbraw/zinc/61/60/39/337616039.db2.gz PWNLVYNWUZXYKE-UHFFFAOYSA-N 0 0 308.425 3.754 10 0 DHAERN CC(C)[C@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000263405098 337628023 /nfs/dbraw/zinc/62/80/23/337628023.db2.gz JLPYLTFRFIMBPQ-ZDUSSCGKSA-N 0 0 304.217 3.625 10 0 DHAERN O=C([O-])c1cccc(C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)c1 ZINC000263421176 337628558 /nfs/dbraw/zinc/62/85/58/337628558.db2.gz OXVQRCHDWUXWSF-ZIAGYGMSSA-N 0 0 315.335 3.843 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)CCOCC2CC2)cc1 ZINC000087022872 337629313 /nfs/dbraw/zinc/62/93/13/337629313.db2.gz PLPZDMQNFCSBOQ-OAHLLOKOSA-N 0 0 318.461 3.939 10 0 DHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCn2ccnc21 ZINC000080554776 337678517 /nfs/dbraw/zinc/67/85/17/337678517.db2.gz KPGOMJBYVLZSKZ-UKRRQHHQSA-N 0 0 323.396 3.726 10 0 DHAERN COC(=O)[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000105979904 337810775 /nfs/dbraw/zinc/81/07/75/337810775.db2.gz NTGCYODZNHZDLZ-ZDUSSCGKSA-N 0 0 302.201 3.521 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000084599850 337845289 /nfs/dbraw/zinc/84/52/89/337845289.db2.gz ZPMMILBHVNBMLJ-UHFFFAOYSA-N 0 0 320.481 3.611 10 0 DHAERN O=C(C=C1CCC1)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000087357901 337857430 /nfs/dbraw/zinc/85/74/30/337857430.db2.gz RQDJXIQTGDQHAP-QGZVFWFLSA-N 0 0 321.424 3.893 10 0 DHAERN CCn1nc(C)c(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1C ZINC000089478971 337869896 /nfs/dbraw/zinc/86/98/96/337869896.db2.gz WYCIBHCMLNFXBP-SECBINFHSA-N 0 0 322.359 3.681 10 0 DHAERN CCCOc1cccc(NC(=O)N[C@H]2COc3ccccc32)c1 ZINC000058618917 337877538 /nfs/dbraw/zinc/87/75/38/337877538.db2.gz HUHFHCSMZBSMNM-INIZCTEOSA-N 0 0 312.369 3.731 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000120883477 337880122 /nfs/dbraw/zinc/88/01/22/337880122.db2.gz UZFADHDUEWECEH-CQSZACIVSA-N 0 0 302.761 3.904 10 0 DHAERN CCc1nnc(CSCc2csc(C(C)(C)C)n2)n1C ZINC000091029082 337888422 /nfs/dbraw/zinc/88/84/22/337888422.db2.gz FQDQKFNYRJTIDW-UHFFFAOYSA-N 0 0 310.492 3.565 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000091169743 337890168 /nfs/dbraw/zinc/89/01/68/337890168.db2.gz CSBZSGPJKQFHJI-UXHICEINSA-N 0 0 323.436 3.734 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2scnc2CC)C12CCCC2 ZINC000122481778 337919834 /nfs/dbraw/zinc/91/98/34/337919834.db2.gz IJJFGTYLFDIPNY-KBPBESRZSA-N 0 0 322.474 3.515 10 0 DHAERN O[C@H]1CCCC[C@H]1CNc1ncc(C(F)(F)F)cc1Cl ZINC000086015843 338013302 /nfs/dbraw/zinc/01/33/02/338013302.db2.gz FNAGPCNTRWJREV-KWQFWETISA-N 0 0 308.731 3.717 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)O1 ZINC000154152909 338237928 /nfs/dbraw/zinc/23/79/28/338237928.db2.gz JDVMVBJVZOSIQT-WRWORJQWSA-N 0 0 318.598 3.609 10 0 DHAERN C=Cn1cc(CNc2nc3c(ccc(Cl)c3F)s2)cn1 ZINC000195006624 338841825 /nfs/dbraw/zinc/84/18/25/338841825.db2.gz QQWMWLPTDRUWEG-UHFFFAOYSA-N 0 0 308.769 3.998 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)COCc2ccccc2)cc(C)c1F ZINC000482179204 339625634 /nfs/dbraw/zinc/62/56/34/339625634.db2.gz ISDKOCYNFCCXCV-OAHLLOKOSA-N 0 0 315.388 3.778 10 0 DHAERN CC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccc2ncsc2c1 ZINC000504158245 340142011 /nfs/dbraw/zinc/14/20/11/340142011.db2.gz KXDWMFFLMUKYHS-UHFFFAOYSA-N 0 0 322.393 3.902 10 0 DHAERN C[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)c1cccc(F)c1 ZINC000172959014 340349954 /nfs/dbraw/zinc/34/99/54/340349954.db2.gz FFOWHNAEQYFBQG-LSDHHAIUSA-N 0 0 315.388 3.651 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)C[C@@H](C)c1ccccc1 ZINC000172959508 340350021 /nfs/dbraw/zinc/35/00/21/340350021.db2.gz RVFJKWDPLGMSBY-IAGOWNOFSA-N 0 0 311.425 3.902 10 0 DHAERN CCOCCCNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000173313858 340362232 /nfs/dbraw/zinc/36/22/32/340362232.db2.gz ZDVWHHUWELTRJV-OAHLLOKOSA-N 0 0 308.422 3.505 10 0 DHAERN CC(C)C[C@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000173374521 340363611 /nfs/dbraw/zinc/36/36/11/340363611.db2.gz XFTHBDUHZZQKOC-GDBMZVCRSA-N 0 0 302.418 3.588 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N1CCC[C@H]1C1CCC1 ZINC000174141526 340382842 /nfs/dbraw/zinc/38/28/42/340382842.db2.gz GHIAGDKMNPEYOL-YJBOKZPZSA-N 0 0 316.445 3.566 10 0 DHAERN CCSCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000174534145 340391127 /nfs/dbraw/zinc/39/11/27/340391127.db2.gz AMPVNTGJKISYBG-QWRGUYRKSA-N 0 0 316.417 3.857 10 0 DHAERN CCc1ccccc1NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174538097 340391128 /nfs/dbraw/zinc/39/11/28/340391128.db2.gz PBRBIABCLDJTRK-HNNXBMFYSA-N 0 0 312.413 3.976 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccccc1Br ZINC000174555371 340391494 /nfs/dbraw/zinc/39/14/94/340391494.db2.gz KZTAWQDAKMQKJJ-WDEREUQCSA-N 0 0 311.223 3.704 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N[C@H](C)COCc1ccccc1 ZINC000174557120 340391577 /nfs/dbraw/zinc/39/15/77/340391577.db2.gz YIORAYGHWDTDFN-CQSZACIVSA-N 0 0 316.376 3.861 10 0 DHAERN CC(C)CCCNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000174908860 340398925 /nfs/dbraw/zinc/39/89/25/340398925.db2.gz VDNDBZXKCPPHID-HNNXBMFYSA-N 0 0 314.433 3.669 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2oc(C)cc2C)C12CCCC2 ZINC000176855213 340433042 /nfs/dbraw/zinc/43/30/42/340433042.db2.gz HMSDRLRXBZMPHH-CABCVRRESA-N 0 0 305.418 3.706 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N[C@@H](C)C2CCOCC2)cc1 ZINC000177908464 340445571 /nfs/dbraw/zinc/44/55/71/340445571.db2.gz FEOLFBBRDZWFQE-GJZGRUSLSA-N 0 0 318.461 3.985 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccccc2F)cc1F ZINC000087021159 340454218 /nfs/dbraw/zinc/45/42/18/340454218.db2.gz WVJAMDXSMHPJSG-GFCCVEGCSA-N 0 0 304.340 3.834 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(F)cc2)cc1F ZINC000087020278 340454223 /nfs/dbraw/zinc/45/42/23/340454223.db2.gz XRZJPXZXROQFGH-GFCCVEGCSA-N 0 0 304.340 3.834 10 0 DHAERN CCC(CC)(CCO)CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088785139 340463191 /nfs/dbraw/zinc/46/31/91/340463191.db2.gz OTGQNGOOQSSVBZ-AWEZNQCLSA-N 0 0 324.440 3.683 10 0 DHAERN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)c1 ZINC000183031306 340486153 /nfs/dbraw/zinc/48/61/53/340486153.db2.gz VQZSYFCTKMMSIJ-SWLSCSKDSA-N 0 0 316.445 3.756 10 0 DHAERN CCc1noc(C)c1NC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000184123854 340490991 /nfs/dbraw/zinc/49/09/91/340490991.db2.gz VMARDBXIGAPUAL-BDJLRTHQSA-N 0 0 313.401 3.909 10 0 DHAERN C[C@@H](NC(=O)CC1(CSc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000185115978 340498227 /nfs/dbraw/zinc/49/82/27/340498227.db2.gz ZXQAMKYDPBYRSH-ZBFHGGJFSA-N 0 0 319.470 3.633 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2CO)CC(C)(C)C1 ZINC000185701371 340504408 /nfs/dbraw/zinc/50/44/08/340504408.db2.gz KRPCRCXWCVFVLG-KYJSFNMBSA-N 0 0 315.457 3.567 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C ZINC000185766875 340504946 /nfs/dbraw/zinc/50/49/46/340504946.db2.gz AMLJPCDCIMJNBY-NSHDSACASA-N 0 0 317.385 3.543 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)N2CCSCC[C@H]2C)cc1 ZINC000190464294 340545337 /nfs/dbraw/zinc/54/53/37/340545337.db2.gz CMSNADGGILYZGN-ZIAGYGMSSA-N 0 0 306.475 3.847 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000190658577 340546357 /nfs/dbraw/zinc/54/63/57/340546357.db2.gz KZXZEHKGGDALFF-DOMZBBRYSA-N 0 0 309.837 3.549 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000190658597 340546358 /nfs/dbraw/zinc/54/63/58/340546358.db2.gz KZXZEHKGGDALFF-WFASDCNBSA-N 0 0 309.837 3.549 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000191900313 340560165 /nfs/dbraw/zinc/56/01/65/340560165.db2.gz UTIGVFBHFUJWSP-GWCFXTLKSA-N 0 0 311.784 3.573 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC000191923336 340560335 /nfs/dbraw/zinc/56/03/35/340560335.db2.gz VMRGUKKVVDCBGC-GUYCJALGSA-N 0 0 305.393 3.916 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cnn(Cc3ccccc3)c2C)o1 ZINC000192630422 340568156 /nfs/dbraw/zinc/56/81/56/340568156.db2.gz YBHVVIBLBLZFSO-CQSZACIVSA-N 0 0 323.396 3.632 10 0 DHAERN Cc1nnc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000192640910 340568239 /nfs/dbraw/zinc/56/82/39/340568239.db2.gz IUDAKEADPBRAIX-HQYIZWOGSA-N 0 0 320.462 3.573 10 0 DHAERN COCCCCNC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000193093540 340572373 /nfs/dbraw/zinc/57/23/73/340572373.db2.gz BLDLIIQMZKSKOK-OAHLLOKOSA-N 0 0 306.450 3.672 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2COc3ccccc32)c(Cl)c1 ZINC000194716523 340595197 /nfs/dbraw/zinc/59/51/97/340595197.db2.gz XDEVWRQHEHKWHN-CQSZACIVSA-N 0 0 302.761 3.904 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)NCc1cc(Br)ccc1F ZINC000230055311 340617693 /nfs/dbraw/zinc/61/76/93/340617693.db2.gz ILUHEGQLYFTZHV-JOYOIKCWSA-N 0 0 314.198 3.641 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)N(C)Cc1cccc(Br)c1 ZINC000230055112 340617793 /nfs/dbraw/zinc/61/77/93/340617793.db2.gz BBJKDBHSWVGIHQ-FZMZJTMJSA-N 0 0 310.235 3.844 10 0 DHAERN O=C([C@H]1C[C@@H]1c1ccccc1)N1CCC(c2nccs2)CC1 ZINC000062450500 340710689 /nfs/dbraw/zinc/71/06/89/340710689.db2.gz QAWSINDKHOESBC-CVEARBPZSA-N 0 0 312.438 3.653 10 0 DHAERN Nc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cn1 ZINC000071663352 340711012 /nfs/dbraw/zinc/71/10/12/340711012.db2.gz CPXWPVMHAVEISI-UHFFFAOYSA-N 0 0 317.392 3.825 10 0 DHAERN C[C@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000125152376 340802521 /nfs/dbraw/zinc/80/25/21/340802521.db2.gz ASBGOQVCSFQIEQ-QPUJVOFHSA-N 0 0 321.726 3.656 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)[C@H]1COc2ccccc21 ZINC000128389821 340881349 /nfs/dbraw/zinc/88/13/49/340881349.db2.gz IEFATXBVNKTXHJ-OKDNKWQNSA-N 0 0 313.441 3.884 10 0 DHAERN CCCC(O)(CCC)CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000129568221 340971885 /nfs/dbraw/zinc/97/18/85/340971885.db2.gz NKLLPPVVWVGRSL-LBPRGKRZSA-N 0 0 313.388 3.863 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC000542223968 341001048 /nfs/dbraw/zinc/00/10/48/341001048.db2.gz GGPFQRKXVGHXFD-ZWNOBZJWSA-N 0 0 308.219 3.774 10 0 DHAERN CCc1cc(Br)ccc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000130659367 341037537 /nfs/dbraw/zinc/03/75/37/341037537.db2.gz VETBSRVRBKMDQA-NOZJJQNGSA-N 0 0 312.207 3.518 10 0 DHAERN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000130775464 341042595 /nfs/dbraw/zinc/04/25/95/341042595.db2.gz JAHNXLPAMFUESM-CMPLNLGQSA-N 0 0 312.207 3.572 10 0 DHAERN COc1cccc(CNC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000071887504 341054120 /nfs/dbraw/zinc/05/41/20/341054120.db2.gz BCCJWJXLXKQVLP-SNVBAGLBSA-N 0 0 324.833 3.971 10 0 DHAERN CCOCCOCc1cccc(NC(=O)N[C@H](C)C(C)C)c1C ZINC000072597764 341092982 /nfs/dbraw/zinc/09/29/82/341092982.db2.gz ILCCWVGBYXBICG-OAHLLOKOSA-N 0 0 322.449 3.714 10 0 DHAERN CCOCCOCc1cccc(NC(=O)N[C@@H](C)C(C)C)c1C ZINC000072597761 341093044 /nfs/dbraw/zinc/09/30/44/341093044.db2.gz ILCCWVGBYXBICG-HNNXBMFYSA-N 0 0 322.449 3.714 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)[C@H](C)CCOc2ccccc2)o1 ZINC000073017206 341112187 /nfs/dbraw/zinc/11/21/87/341112187.db2.gz OAELJBBWGKVMHJ-UKRRQHHQSA-N 0 0 301.386 3.870 10 0 DHAERN CC(C)OCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000132259460 341119538 /nfs/dbraw/zinc/11/95/38/341119538.db2.gz FSAAADZTFGFDHN-ZWKOTPCHSA-N 0 0 303.446 3.845 10 0 DHAERN C[C@H](NC(=O)N(C)Cc1nccs1)c1ccc(Cl)s1 ZINC000074851877 341153655 /nfs/dbraw/zinc/15/36/55/341153655.db2.gz VCWIPFBXRXISFV-QMMMGPOBSA-N 0 0 315.851 3.761 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133208583 341162672 /nfs/dbraw/zinc/16/26/72/341162672.db2.gz VDKNNPYEZAYKEM-CVEARBPZSA-N 0 0 320.396 3.595 10 0 DHAERN C[C@@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000076470981 341207973 /nfs/dbraw/zinc/20/79/73/341207973.db2.gz SQBKVFWNABYNQN-CVEARBPZSA-N 0 0 324.428 3.589 10 0 DHAERN CCc1cnc([C@H](C)Nc2nccc(C(F)(F)F)n2)s1 ZINC000134927281 341226725 /nfs/dbraw/zinc/22/67/25/341226725.db2.gz LKYJSKYNABWFHM-ZETCQYMHSA-N 0 0 302.325 3.687 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@H](C)C1)c1ccc(F)cc1Cl ZINC000077669971 341228509 /nfs/dbraw/zinc/22/85/09/341228509.db2.gz TYULCNUQMKHRMK-NXEZZACHSA-N 0 0 316.829 3.687 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)N(Cc1ccccn1)C1CC1 ZINC000078312544 341240178 /nfs/dbraw/zinc/24/01/78/341240178.db2.gz JZYQGNUENOPJBW-IBGZPJMESA-N 0 0 321.424 3.833 10 0 DHAERN COc1c(CNc2ccc(Cl)c(Cl)c2)c(C)nn1C ZINC000135976281 341249371 /nfs/dbraw/zinc/24/93/71/341249371.db2.gz QUBZZRORRJJUTE-UHFFFAOYSA-N 0 0 300.189 3.656 10 0 DHAERN CCOc1cccc(CCNC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000136041168 341251329 /nfs/dbraw/zinc/25/13/29/341251329.db2.gz JYCPAXDCTVZOFL-CQSZACIVSA-N 0 0 316.401 3.590 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CCc3ccc(F)cc3C2)o1 ZINC000136041616 341251439 /nfs/dbraw/zinc/25/14/39/341251439.db2.gz DHFULSHVVLBCKL-GFCCVEGCSA-N 0 0 302.349 3.556 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2ccccc21 ZINC000081450090 341291218 /nfs/dbraw/zinc/29/12/18/341291218.db2.gz QKVHIEQOKJGGIP-ZDUSSCGKSA-N 0 0 313.397 3.642 10 0 DHAERN CC[C@H](CSC)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000245586892 341303428 /nfs/dbraw/zinc/30/34/28/341303428.db2.gz JPYGFGPNDJPOJZ-FRRDWIJNSA-N 0 0 313.413 3.668 10 0 DHAERN CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)nn1C ZINC000081820481 341307722 /nfs/dbraw/zinc/30/77/22/341307722.db2.gz YSBAQUKBHJOQFX-NSHDSACASA-N 0 0 305.809 3.688 10 0 DHAERN C[C@@H](C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21)C1CCOCC1 ZINC000245875275 341316972 /nfs/dbraw/zinc/31/69/72/341316972.db2.gz GZDMLNDZSACCHU-HBUWYVDXSA-N 0 0 301.430 3.804 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)N1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000246223901 341335274 /nfs/dbraw/zinc/33/52/74/341335274.db2.gz WAXOROBIPOSLSN-NFAWXSAZSA-N 0 0 322.836 3.549 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000246367617 341345131 /nfs/dbraw/zinc/34/51/31/341345131.db2.gz LLRYJDOZOXVEBS-CYZMBNFOSA-N 0 0 306.372 3.985 10 0 DHAERN CC1(C)CCCC[C@@H]1CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000246657138 341355202 /nfs/dbraw/zinc/35/52/02/341355202.db2.gz KNDNMHXCFRXIEZ-JTDSTZFVSA-N 0 0 307.478 3.747 10 0 DHAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000246678974 341355506 /nfs/dbraw/zinc/35/55/06/341355506.db2.gz DCFVBRRPKBYWCT-QQUHWDOBSA-N 0 0 313.319 3.809 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000247161595 341361677 /nfs/dbraw/zinc/36/16/77/341361677.db2.gz ZLMTYFVXFDIKQQ-FTUNRGFVSA-N 0 0 309.409 3.579 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCC[C@H]2CCO)cc1 ZINC000249975647 341402006 /nfs/dbraw/zinc/40/20/06/341402006.db2.gz KYARCIVSYFTQCC-CADBVGFASA-N 0 0 315.457 3.581 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCC[C@H]2CCO)cc1 ZINC000249975651 341402020 /nfs/dbraw/zinc/40/20/20/341402020.db2.gz KYARCIVSYFTQCC-VJANTYMQSA-N 0 0 315.457 3.581 10 0 DHAERN CCCC1(CNC(=O)N2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000154163552 341585845 /nfs/dbraw/zinc/58/58/45/341585845.db2.gz BLHBNDPRPKPLKE-AWEZNQCLSA-N 0 0 321.490 3.921 10 0 DHAERN CCC[C@H](NC(=O)Nc1ccc(C)s1)C(=O)OC(C)(C)C ZINC000154199930 341586433 /nfs/dbraw/zinc/58/64/33/341586433.db2.gz WIKWHXXJPOEBKA-NSHDSACASA-N 0 0 312.435 3.688 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)N2CCSCC2)cc1 ZINC000155461071 341607935 /nfs/dbraw/zinc/60/79/35/341607935.db2.gz MJJUXRAADXOXOX-AWEZNQCLSA-N 0 0 322.474 3.541 10 0 DHAERN CC(C)[C@H](O)CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000155690277 341611369 /nfs/dbraw/zinc/61/13/69/341611369.db2.gz WMPAOYVFMWTBGD-LJQANCHMSA-N 0 0 324.424 3.726 10 0 DHAERN COc1ccsc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157835885 341646386 /nfs/dbraw/zinc/64/63/86/341646386.db2.gz VGPBGRYSGUBERD-ZDUSSCGKSA-N 0 0 305.374 3.703 10 0 DHAERN CCCC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171471862 341765794 /nfs/dbraw/zinc/76/57/94/341765794.db2.gz LWHCIVGIQCAITE-HYVNUMGLSA-N 0 0 318.465 3.626 10 0 DHAERN CC(C)c1cc(C(=O)N2CCS[C@H](C)C2)c2ccccc2n1 ZINC000171577315 341780765 /nfs/dbraw/zinc/78/07/65/341780765.db2.gz YMVGKYSBHDKLMN-CYBMUJFWSA-N 0 0 314.454 3.936 10 0 DHAERN COC[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)C1 ZINC000172238007 341795391 /nfs/dbraw/zinc/79/53/91/341795391.db2.gz JBCAGRPHTXRNIN-CVEARBPZSA-N 0 0 318.461 3.939 10 0 DHAERN CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000176793488 341900760 /nfs/dbraw/zinc/90/07/60/341900760.db2.gz YTOCMHOOHIUPCV-NEPJUHHUSA-N 0 0 306.372 3.939 10 0 DHAERN CCCn1cc(CN[C@@H](C)c2ccccc2Br)cn1 ZINC000116912141 521652893 /nfs/dbraw/zinc/65/28/93/521652893.db2.gz YOZMQLMBGFXOMK-LBPRGKRZSA-N 0 0 322.250 3.906 10 0 DHAERN CC(C)OCCCC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000183121120 519758002 /nfs/dbraw/zinc/75/80/02/519758002.db2.gz KFAPKNYPQLIEIO-OAHLLOKOSA-N 0 0 305.418 3.610 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)c(Cl)c1 ZINC000190735373 519781049 /nfs/dbraw/zinc/78/10/49/519781049.db2.gz GVQRIYYELLWPLI-AAEUAGOBSA-N 0 0 311.809 3.881 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000176333556 519792248 /nfs/dbraw/zinc/79/22/48/519792248.db2.gz WAYJFLHTQPMDMU-CYBMUJFWSA-N 0 0 315.421 3.692 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000179948677 519839570 /nfs/dbraw/zinc/83/95/70/519839570.db2.gz AONFSEXEJHGZCK-FGTMMUONSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1csc(CNC(=O)N2CCC[C@@H]2c2ccco2)n1 ZINC000154312038 519853555 /nfs/dbraw/zinc/85/35/55/519853555.db2.gz WRIJXAXJLVTWID-CYBMUJFWSA-N 0 0 319.430 3.906 10 0 DHAERN CCC1CCC(NC(=O)c2cnn(CCC(F)(F)F)c2)CC1 ZINC000181838745 519856525 /nfs/dbraw/zinc/85/65/25/519856525.db2.gz AQBLTHCWUQEIGA-UHFFFAOYSA-N 0 0 317.355 3.534 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2cccc3ccccc32)n1C ZINC000181668028 519888071 /nfs/dbraw/zinc/88/80/71/519888071.db2.gz OAWHBMTVJMNGPM-CQSZACIVSA-N 0 0 308.429 3.943 10 0 DHAERN CC(C)c1nnc(NCCc2ccc(Br)o2)s1 ZINC000154338868 519890410 /nfs/dbraw/zinc/89/04/10/519890410.db2.gz HPQFWBVVANQIFV-UHFFFAOYSA-N 0 0 316.224 3.672 10 0 DHAERN CC(C)n1ccnc1CN(Cc1ccco1)Cc1cccnc1 ZINC000180460224 520027726 /nfs/dbraw/zinc/02/77/26/520027726.db2.gz HKJUPQRAOKPOQY-UHFFFAOYSA-N 0 0 310.401 3.654 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1ccncc1 ZINC000132774243 520416042 /nfs/dbraw/zinc/41/60/42/520416042.db2.gz JMASIAILEQZCFZ-QGZVFWFLSA-N 0 0 309.413 3.595 10 0 DHAERN CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000188608468 520892965 /nfs/dbraw/zinc/89/29/65/520892965.db2.gz FSVPRONJVNPNMK-ZFWWWQNUSA-N 0 0 321.417 3.628 10 0 DHAERN CCOc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109100423 521624701 /nfs/dbraw/zinc/62/47/01/521624701.db2.gz KVEWSMONNJYLQF-NWDGAFQWSA-N 0 0 318.323 3.501 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000131860359 521639838 /nfs/dbraw/zinc/63/98/38/521639838.db2.gz MTMPDBVLAVKZQX-QGZVFWFLSA-N 0 0 323.444 3.517 10 0 DHAERN CCOCCC1(CNC(=O)N2CCC[C@H]2c2ccco2)CCC1 ZINC000156230718 521685113 /nfs/dbraw/zinc/68/51/13/521685113.db2.gz LSXKJZUZXGOWMS-HNNXBMFYSA-N 0 0 320.433 3.723 10 0 DHAERN CCOCCC1(CNC(=O)[C@H](C)c2ccc(OC)cc2)CCC1 ZINC000132798168 521689168 /nfs/dbraw/zinc/68/91/68/521689168.db2.gz QFRVOBCPHNHFJA-OAHLLOKOSA-N 0 0 319.445 3.512 10 0 DHAERN CCSc1cc(Cl)ccc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000158296542 521734576 /nfs/dbraw/zinc/73/45/76/521734576.db2.gz MEGGWQPUNOTGCR-ZWNOBZJWSA-N 0 0 313.850 3.749 10 0 DHAERN COc1cc(Br)cc(NCc2ccc(C)nc2)c1 ZINC000159572050 522027596 /nfs/dbraw/zinc/02/75/96/522027596.db2.gz YDDWGRRCSKKREG-UHFFFAOYSA-N 0 0 307.191 3.773 10 0 DHAERN COC(=O)c1ccc(Cl)c(CN[C@H](C)c2ccc(C)o2)c1 ZINC000182565551 522057945 /nfs/dbraw/zinc/05/79/45/522057945.db2.gz JMFJHUNFYSYPIS-LLVKDONJSA-N 0 0 307.777 3.879 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000103386432 522179201 /nfs/dbraw/zinc/17/92/01/522179201.db2.gz NYALLDCCCYCJLT-OAHLLOKOSA-N 0 0 312.413 3.544 10 0 DHAERN CCc1nc(C2(NCc3c(F)cccc3Cl)CCCC2)no1 ZINC000174235529 522243592 /nfs/dbraw/zinc/24/35/92/522243592.db2.gz YJKAAOIMENQMDY-UHFFFAOYSA-N 0 0 323.799 3.984 10 0 DHAERN COC(=O)c1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000127616616 522262300 /nfs/dbraw/zinc/26/23/00/522262300.db2.gz LZEJKBQHAXNJAX-HNNXBMFYSA-N 0 0 316.426 3.657 10 0 DHAERN COC[C@H](C)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000187925276 522542565 /nfs/dbraw/zinc/54/25/65/522542565.db2.gz HVSQOQVGQNODLX-HNNXBMFYSA-N 0 0 313.397 3.511 10 0 DHAERN COC[C@H](C)Oc1ccc(Cl)cc1N[C@@H]1CCOC[C@H]1C ZINC000195128477 522635812 /nfs/dbraw/zinc/63/58/12/522635812.db2.gz CFAHHZLUQGCCPE-MBNYWOFBSA-N 0 0 313.825 3.591 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccc(F)cc2)C2CCCC2)n1C ZINC000180280425 522744754 /nfs/dbraw/zinc/74/47/54/522744754.db2.gz ROISJMHCHCJQFB-GOSISDBHSA-N 0 0 316.424 3.538 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2)C2CCC2)n1C ZINC000182566746 522748459 /nfs/dbraw/zinc/74/84/59/522748459.db2.gz LVDHSEMCWDHJLL-KRWDZBQOSA-N 0 0 318.852 3.662 10 0 DHAERN COCC1=CCN(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000188192084 522916763 /nfs/dbraw/zinc/91/67/63/522916763.db2.gz GHNVSWYARJKCCT-HNNXBMFYSA-N 0 0 316.445 3.859 10 0 DHAERN CCn1c(C)nnc1COc1ccc(Cl)cc1C(F)(F)F ZINC000182957722 523155388 /nfs/dbraw/zinc/15/53/88/523155388.db2.gz RVHCBDAFZAFSLM-UHFFFAOYSA-N 0 0 319.714 3.858 10 0 DHAERN CCn1c(C)nnc1COc1cc(C)c(Br)c(C)c1 ZINC000190174170 523155672 /nfs/dbraw/zinc/15/56/72/523155672.db2.gz RTQZJJMTQYTCIQ-UHFFFAOYSA-N 0 0 324.222 3.565 10 0 DHAERN CCn1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)ccc1=O ZINC000129575831 523429268 /nfs/dbraw/zinc/42/92/68/523429268.db2.gz MMSKZLCNGAUZHN-ZWKOTPCHSA-N 0 0 324.424 3.734 10 0 DHAERN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191079663 523828668 /nfs/dbraw/zinc/82/86/68/523828668.db2.gz VVJDKFNDCUTZFS-KBPBESRZSA-N 0 0 317.335 3.975 10 0 DHAERN CCc1ccc(-c2csc(NC(=O)[C@H](C)COC)n2)cc1 ZINC000103358243 523858191 /nfs/dbraw/zinc/85/81/91/523858191.db2.gz FIVUESVAZRKNHF-LLVKDONJSA-N 0 0 304.415 3.594 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)N(C)CCc2nccs2)cc1 ZINC000162923013 524022010 /nfs/dbraw/zinc/02/20/10/524022010.db2.gz NKOCBVITMGLHAX-CYBMUJFWSA-N 0 0 317.458 3.651 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCCCCCOC)o1 ZINC000174444233 524035134 /nfs/dbraw/zinc/03/51/34/524035134.db2.gz HCZGCTWAMDSPJP-INIZCTEOSA-N 0 0 322.449 3.895 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NC[C@H]2CCCOC2)o1 ZINC000173488265 524053209 /nfs/dbraw/zinc/05/32/09/524053209.db2.gz HDXHPRGKFLVVQM-GDBMZVCRSA-N 0 0 320.433 3.505 10 0 DHAERN Cc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)c1 ZINC000174886015 524177279 /nfs/dbraw/zinc/17/72/79/524177279.db2.gz MECXXPKMZZECFN-OALUTQOASA-N 0 0 309.409 3.723 10 0 DHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191490853 524323871 /nfs/dbraw/zinc/32/38/71/524323871.db2.gz WYDOLWQRFJXJCC-RLFYNMQTSA-N 0 0 301.430 3.629 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2Cl)O1 ZINC000153303128 524337547 /nfs/dbraw/zinc/33/75/47/524337547.db2.gz IDKPXEGMXBTESG-CPCISQLKSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)N(C)CCc2ccncc2)c2ccccc21 ZINC000153110070 524365147 /nfs/dbraw/zinc/36/51/47/524365147.db2.gz IVIGXQJBJYPKDI-HNAYVOBHSA-N 0 0 323.440 3.904 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 ZINC000120779077 524705956 /nfs/dbraw/zinc/70/59/56/524705956.db2.gz OHZVOAVYSZQLTH-HNNXBMFYSA-N 0 0 318.808 3.751 10 0 DHAERN C[C@H](NC(=O)CCCCc1c[nH]nn1)c1ccc2ccccc2c1 ZINC000157445554 524929463 /nfs/dbraw/zinc/92/94/63/524929463.db2.gz UEBXMIZYYRSJQS-AWEZNQCLSA-N 0 0 322.412 3.548 10 0 DHAERN C[C@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(Cl)cc1 ZINC000154772199 524987131 /nfs/dbraw/zinc/98/71/31/524987131.db2.gz BGHQDBGZWODIFP-NSHDSACASA-N 0 0 313.788 3.636 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000188943947 525018389 /nfs/dbraw/zinc/01/83/89/525018389.db2.gz QECAZEXZFYZADL-UKRRQHHQSA-N 0 0 303.402 3.762 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000132382911 525143742 /nfs/dbraw/zinc/14/37/42/525143742.db2.gz AYKAJEVEIUUFKP-RKDXNWHRSA-N 0 0 321.726 3.608 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)c(Br)c1 ZINC000190575730 525223085 /nfs/dbraw/zinc/22/30/85/525223085.db2.gz YBVSEDYYOLUSOR-QWRGUYRKSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183008968 525329431 /nfs/dbraw/zinc/32/94/31/525329431.db2.gz VJNXMHZAEXWBSY-DYVFJYSZSA-N 0 0 324.380 3.574 10 0 DHAERN CSCCCCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168857970 525404858 /nfs/dbraw/zinc/40/48/58/525404858.db2.gz ZHXSIHRMSVJZCR-ZDUSSCGKSA-N 0 0 319.392 3.810 10 0 DHAERN C[C@@H](NCc1cn(C(C)(C)C)nn1)c1ccc(F)c(Cl)c1 ZINC000190863287 525547676 /nfs/dbraw/zinc/54/76/76/525547676.db2.gz FJWJZOUZRTXJAT-SNVBAGLBSA-N 0 0 310.804 3.676 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000191630370 525557801 /nfs/dbraw/zinc/55/78/01/525557801.db2.gz AAHYZAYSEHQQSZ-GUYCJALGSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000191488749 525561457 /nfs/dbraw/zinc/56/14/57/525561457.db2.gz ZJIODRSWBOSEEH-VHSXEESVSA-N 0 0 308.428 3.625 10 0 DHAERN CSC[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000066758554 525612566 /nfs/dbraw/zinc/61/25/66/525612566.db2.gz TZDUJAZJBCFDNX-NXEZZACHSA-N 0 0 316.264 3.625 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CNc2nnc(CC(C)C)o2)cc1 ZINC000181771999 525795109 /nfs/dbraw/zinc/79/51/09/525795109.db2.gz SLBRSZYIQBYXQC-UHFFFAOYSA-N 0 0 311.389 3.579 10 0 DHAERN Cc1c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1C(F)(F)F ZINC000135203320 525843958 /nfs/dbraw/zinc/84/39/58/525843958.db2.gz FNYKDCXPTIBADX-NXEZZACHSA-N 0 0 316.323 3.655 10 0 DHAERN CS[C@H](C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129717258 525855165 /nfs/dbraw/zinc/85/51/65/525855165.db2.gz CPSHYSYYKSCLEM-TZMCWYRMSA-N 0 0 305.443 3.691 10 0 DHAERN CS[C@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129717725 525856338 /nfs/dbraw/zinc/85/63/38/525856338.db2.gz CPSHYSYYKSCLEM-OCCSQVGLSA-N 0 0 305.443 3.691 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cc(-c3cccs3)n[nH]2)o1 ZINC000107693719 525907744 /nfs/dbraw/zinc/90/77/44/525907744.db2.gz WGNMTLJLQKHZGF-JTQLQIEISA-N 0 0 301.371 3.531 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc([C@H](C)OCC(C)C)no2)o1 ZINC000182578902 525930754 /nfs/dbraw/zinc/93/07/54/525930754.db2.gz PBIFKIGXKLNVEV-STQMWFEESA-N 0 0 307.394 3.555 10 0 DHAERN Cc1ccc(Br)c(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000191936986 525981759 /nfs/dbraw/zinc/98/17/59/525981759.db2.gz HLCUQDRURUQUNM-MNOVXSKESA-N 0 0 312.207 3.511 10 0 DHAERN Cc1ccc([C@H]2CCCCN2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369537 525996038 /nfs/dbraw/zinc/99/60/38/525996038.db2.gz CJTUUKXSAVFHQT-OAHLLOKOSA-N 0 0 302.422 3.662 10 0 DHAERN CSc1cccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000151594840 526122684 /nfs/dbraw/zinc/12/26/84/526122684.db2.gz LRRFDVOHNDYLGA-DYVFJYSZSA-N 0 0 320.458 3.567 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190558488 526173291 /nfs/dbraw/zinc/17/32/91/526173291.db2.gz RYDRKPASBHMEMR-JQWIXIFHSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C3(CC(C)C)CCCC3)C2)c1 ZINC000152433887 526266999 /nfs/dbraw/zinc/26/69/99/526266999.db2.gz ORRLMPNTEQVECD-KRWDZBQOSA-N 0 0 317.477 3.962 10 0 DHAERN Cc1coc2ccc(NC(=O)N3CCC[C@H]3c3cnn(C)c3)cc12 ZINC000187996502 526294348 /nfs/dbraw/zinc/29/43/48/526294348.db2.gz PQQGABLSFWMJJG-INIZCTEOSA-N 0 0 324.384 3.844 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2cccs2)n1 ZINC000182889978 526430102 /nfs/dbraw/zinc/43/01/02/526430102.db2.gz FDABVNPBVUYUBK-MWLCHTKSSA-N 0 0 309.460 3.677 10 0 DHAERN Brc1cc2c(s1)CC[C@H]2NCc1cscn1 ZINC000309234745 526637098 /nfs/dbraw/zinc/63/70/98/526637098.db2.gz LJEUNJJZRKQYAF-SECBINFHSA-N 0 0 315.261 3.744 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2C[C@H]2c2cccnc2)o1 ZINC000299744853 526741418 /nfs/dbraw/zinc/74/14/18/526741418.db2.gz UXJXXNQTTUPJQO-XQLPTFJDSA-N 0 0 313.401 3.654 10 0 DHAERN Cc1nc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734469 526893373 /nfs/dbraw/zinc/89/33/73/526893373.db2.gz HFTBZVLOYRHVQG-CYBMUJFWSA-N 0 0 303.406 3.654 10 0 DHAERN Clc1ccc(CN2CCCC[C@@H]2c2nc[nH]n2)cc1Cl ZINC000121795145 526944510 /nfs/dbraw/zinc/94/45/10/526944510.db2.gz LVKQHVJGQMNTSD-CYBMUJFWSA-N 0 0 311.216 3.839 10 0 DHAERN Cn1c(COc2ccccc2-c2ccccc2)nnc1C1CC1 ZINC000181864343 527065394 /nfs/dbraw/zinc/06/53/94/527065394.db2.gz ILCLDLDKEXMIAE-UHFFFAOYSA-N 0 0 305.381 3.939 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cc2ccccc2s1 ZINC000188228382 527189823 /nfs/dbraw/zinc/18/98/23/527189823.db2.gz DCYUKTPQTNDERR-BXUZGUMPSA-N 0 0 312.442 3.987 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187656 527190560 /nfs/dbraw/zinc/19/05/60/527190560.db2.gz DNFGYPYSEYULFS-HZPDHXFCSA-N 0 0 316.836 3.816 10 0 DHAERN O=C(Nc1cccc(C(F)F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000153349894 527332504 /nfs/dbraw/zinc/33/25/04/527332504.db2.gz DTCHFRYYXFIARN-UHFFFAOYSA-N 0 0 320.343 3.759 10 0 DHAERN C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@H]1O ZINC000004537749 560198587 /nfs/dbraw/zinc/19/85/87/560198587.db2.gz GKHMLMUXODLNKN-CWXOLEPKSA-N 0 0 306.490 3.997 10 0 in-vitro DHAERN Brc1ccc([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000712581984 563323304 /nfs/dbraw/zinc/32/33/04/563323304.db2.gz QVAPOLREQRPCBC-SNVBAGLBSA-N 0 0 300.246 3.807 10 0 DHAERN CC[C@H](C)c1nc2cc(C(F)F)cc(Br)n2n1 ZINC000725248414 563526816 /nfs/dbraw/zinc/52/68/16/563526816.db2.gz UNCSILRAMIWFRR-LURJTMIESA-N 0 0 304.138 3.943 10 0 DHAERN CN(c1ccccc1)S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000226862181 563605374 /nfs/dbraw/zinc/60/53/74/563605374.db2.gz ZDZBTKBSMGUSKV-UHFFFAOYSA-N 0 0 323.417 3.764 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(COc2ccccc2)n1 ZINC000190400413 563796744 /nfs/dbraw/zinc/79/67/44/563796744.db2.gz KRKMJPHFWOOJPJ-ZFWWWQNUSA-N 0 0 302.374 3.567 10 0 DHAERN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2)S1 ZINC000006870650 563874041 /nfs/dbraw/zinc/87/40/41/563874041.db2.gz SHPRXFFKMBUDNP-VBKFSLOCSA-N 0 0 324.405 3.977 10 0 DHAERN Cc1cccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)c1 ZINC000226254311 563913460 /nfs/dbraw/zinc/91/34/60/563913460.db2.gz GOGCBXHXJQZCCX-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2cccc(N)c2C)c(C)c1 ZINC000226272345 563913588 /nfs/dbraw/zinc/91/35/88/563913588.db2.gz KAOODOKSBSWRMN-UHFFFAOYSA-N 0 0 311.429 3.984 10 0 DHAERN CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000048545512 563924063 /nfs/dbraw/zinc/92/40/63/563924063.db2.gz FUWXSSFLWHLRGV-QGZVFWFLSA-N 0 0 310.372 3.953 10 0 DHAERN Cc1cc(NC(=O)c2ccccc2F)cc(Br)c1O ZINC000226242806 568420690 /nfs/dbraw/zinc/42/06/90/568420690.db2.gz XYZYRBGVRAUBRO-UHFFFAOYSA-N 0 0 324.149 3.855 10 0 DHAERN C[C@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000167611690 959350942 /nfs/dbraw/zinc/35/09/42/959350942.db2.gz BUAGLTRTWOUIEE-JTQLQIEISA-N 0 0 309.818 3.879 10 0 DHAERN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000263393372 962554951 /nfs/dbraw/zinc/55/49/51/962554951.db2.gz FWBQHUZRPSWCFX-ZDUSSCGKSA-N 0 0 322.817 3.513 10 0 DHAERN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC000263422887 962593321 /nfs/dbraw/zinc/59/33/21/962593321.db2.gz PIYVBVYHHJKSSW-KRWDZBQOSA-N 0 0 315.344 3.667 10 0 DHAERN O=C([O-])c1cccc(C[NH+]2CCC(C(F)F)CC2)c1Cl ZINC000307862912 963234268 /nfs/dbraw/zinc/23/42/68/963234268.db2.gz AJCXUGRFFZVENF-UHFFFAOYSA-N 0 0 303.736 3.515 10 0 DHAERN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000308351381 963268323 /nfs/dbraw/zinc/26/83/23/963268323.db2.gz QUBMUSUPPRQGNY-LLVKDONJSA-N 0 0 301.839 3.724 10 0 DHAERN O=C([O-])c1occc1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000701919591 977054090 /nfs/dbraw/zinc/05/40/90/977054090.db2.gz BFYFCVUDTDSLBH-UHFFFAOYSA-N 0 0 300.141 3.574 10 0 DHAERN CS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000707342518 977385330 /nfs/dbraw/zinc/38/53/30/977385330.db2.gz GSMMHOLZDGFRAB-RYUDHWBXSA-N 0 0 313.850 3.754 10 0 DHAERN Cc1csc(C2CC[NH+](Cc3cccc4c3OCO4)CC2)n1 ZINC000092787365 1032510838 /nfs/dbraw/zinc/51/08/38/1032510838.db2.gz YMJSNTVPSGRTEW-UHFFFAOYSA-N 0 0 316.426 3.560 10 0 DHAERN Cc1nc(Cl)cc(NC[C@@H]2CCO[C@H]2c2ccccc2)n1 ZINC000078356728 1017614343 /nfs/dbraw/zinc/61/43/43/1017614343.db2.gz DYMNCDLZUVSRKN-BBRMVZONSA-N 0 0 303.793 3.628 10 0 DHAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@@H]1CO ZINC000089853556 1019381507 /nfs/dbraw/zinc/38/15/07/1019381507.db2.gz AYBISAXAIVXDNQ-BBRMVZONSA-N 0 0 304.434 3.743 10 0 DHAERN C[C@]1(C(=O)N2CCC[C@H]2c2cccs2)CC1(Cl)Cl ZINC000068783139 1024701741 /nfs/dbraw/zinc/70/17/41/1024701741.db2.gz FAKNRQYKHJNZJX-JOYOIKCWSA-N 0 0 304.242 3.996 10 0 DHAERN O=C(C1CCCCC1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062078711 1025936604 /nfs/dbraw/zinc/93/66/04/1025936604.db2.gz UKNZZSFGHOQCFS-INIZCTEOSA-N 0 0 301.430 3.884 10 0 DHAERN CC(C)c1nc(C(=O)N2CCC[C@@H](c3nccs3)C2)cs1 ZINC000067048678 1030523948 /nfs/dbraw/zinc/52/39/48/1030523948.db2.gz XNWGGIDSSMOFOK-LLVKDONJSA-N 0 0 321.471 3.743 10 0 DHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@@H]1c1ccccc1 ZINC000068254550 1030536657 /nfs/dbraw/zinc/53/66/57/1030536657.db2.gz HXJNSOSLNYUCGU-HNAYVOBHSA-N 0 0 323.392 3.630 10 0 DHAERN O=C(Cc1ccccc1Cl)N1CCC[C@@H]1c1nccs1 ZINC000074909403 1030627133 /nfs/dbraw/zinc/62/71/33/1030627133.db2.gz FHQSVFZKLBDWLF-CYBMUJFWSA-N 0 0 306.818 3.703 10 0 DHAERN CC1(C)CN(Cc2ncc(-c3ccccc3Cl)o2)CCO1 ZINC000075589005 1030666389 /nfs/dbraw/zinc/66/63/89/1030666389.db2.gz PIHBBVZBZYHAKY-UHFFFAOYSA-N 0 0 306.793 3.606 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)[N@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390248 1030791109 /nfs/dbraw/zinc/79/11/09/1030791109.db2.gz MPZZRAWXAFSUBX-DZGCQCFKSA-N 0 0 315.417 3.580 10 0 DHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000077613775 1030868189 /nfs/dbraw/zinc/86/81/89/1030868189.db2.gz BZKVQTWHLBLDNX-HZPDHXFCSA-N 0 0 318.380 3.522 10 0 DHAERN CCc1nn(Cc2ccccc2)c2nc(Cl)nc(Cl)c12 ZINC000095627103 185382669 /nfs/dbraw/zinc/38/26/69/185382669.db2.gz WKGWSIAGZNSCRT-UHFFFAOYSA-N 0 0 307.184 3.744 10 0 DHAERN CS(=O)(=O)c1ccccc1-c1ccc(Br)cc1 ZINC000095616858 185382791 /nfs/dbraw/zinc/38/27/91/185382791.db2.gz SBCAPAKBUXPKFX-UHFFFAOYSA-N 0 0 311.200 3.520 10 0 DHAERN Oc1cc(I)cc(OC2CCCCC2)c1 ZINC000095724538 185383336 /nfs/dbraw/zinc/38/33/36/185383336.db2.gz FAZMKYSRIIRPKD-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CCCCc1nc(Cl)c(CN[C@@H](C)c2cccc(O)c2)[nH]1 ZINC000088398961 185248461 /nfs/dbraw/zinc/24/84/61/185248461.db2.gz RPZGDDXDIQJROU-NSHDSACASA-N 0 0 307.825 3.962 10 0 DHAERN CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224671 185287372 /nfs/dbraw/zinc/28/73/72/185287372.db2.gz VYJVRGVISUNRHE-GHMZBOCLSA-N 0 0 310.854 3.877 10 0 DHAERN CC(C)[C@H](O)Cc1nc(CSc2ccc(Cl)cc2)no1 ZINC000090246012 185288044 /nfs/dbraw/zinc/28/80/44/185288044.db2.gz NWSYKGROXCMPFP-GFCCVEGCSA-N 0 0 312.822 3.575 10 0 DHAERN NC(=O)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1 ZINC000090487267 185298810 /nfs/dbraw/zinc/29/88/10/185298810.db2.gz RKEAXMBILZSZCV-UHFFFAOYSA-N 0 0 324.771 3.640 10 0 DHAERN COc1cc2nccc(Oc3ccc(N)c(C)c3)c2cc1OC ZINC000090529015 185300510 /nfs/dbraw/zinc/30/05/10/185300510.db2.gz BXVUWRXAXZVIOJ-UHFFFAOYSA-N 0 0 310.353 3.935 10 0 DHAERN COCn1nc(-c2ccccc2)c(/C=C/c2ccccc2)cc1=O ZINC000090556325 185303091 /nfs/dbraw/zinc/30/30/91/185303091.db2.gz FJDIUPMXBJKJEN-OUKQBFOZSA-N 0 0 318.376 3.685 10 0 DHAERN Cc1nc(-c2ccc(C(F)(F)F)c(F)c2F)sc1CO ZINC000090729152 185311693 /nfs/dbraw/zinc/31/16/93/185311693.db2.gz AURJNIKPJJJBFS-UHFFFAOYSA-N 0 0 309.259 3.908 10 0 DHAERN O=C1OCCCC2=C1CC(c1ccccc1)(c1ccccc1)O2 ZINC000090663530 185308507 /nfs/dbraw/zinc/30/85/07/185308507.db2.gz GGJZHCUKGMWQFU-UHFFFAOYSA-N 0 0 306.361 3.942 10 0 DHAERN Fc1cc(CN2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000092831975 185344687 /nfs/dbraw/zinc/34/46/87/185344687.db2.gz ZVXAZMPCHVIURL-ZDUSSCGKSA-N 0 0 312.797 3.509 10 0 DHAERN C[C@@H](Nc1ncc(Br)cc1N)c1ccccc1F ZINC000049528867 190678383 /nfs/dbraw/zinc/67/83/83/190678383.db2.gz HJRNBMQSJNJQPY-MRVPVSSYSA-N 0 0 310.170 3.739 10 0 DHAERN CCC[C@](C)([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000049527920 190677930 /nfs/dbraw/zinc/67/79/30/190677930.db2.gz XTUWJALTLNXABD-YGRLFVJLSA-N 0 0 314.223 3.743 10 0 DHAERN CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000081634620 334956774 /nfs/dbraw/zinc/95/67/74/334956774.db2.gz ABHYYFBRKPVMMG-CJNGLKHVSA-N 0 0 320.433 3.537 10 0 DHAERN CN(Cc1ccccc1F)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109078782 185549740 /nfs/dbraw/zinc/54/97/40/185549740.db2.gz MBVQNCLULVMSKD-KGLIPLIRSA-N 0 0 319.326 3.866 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]1C1CCC1 ZINC000109124056 185553274 /nfs/dbraw/zinc/55/32/74/185553274.db2.gz VXAGICXDGUGNPZ-CKEIUWERSA-N 0 0 305.368 3.859 10 0 DHAERN COc1ccc(CNC(=O)N[C@@H](C)C(C)C)c(C(F)(F)F)c1 ZINC000072083078 191034489 /nfs/dbraw/zinc/03/44/89/191034489.db2.gz FDNAPOIDPKGXRW-JTQLQIEISA-N 0 0 318.339 3.558 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)O1 ZINC000146158826 186037687 /nfs/dbraw/zinc/03/76/87/186037687.db2.gz OEXPQEJQYUCEAH-RDDDGLTNSA-N 0 0 307.699 3.865 10 0 DHAERN Cc1cc(OCC(=O)OC(C)C)c2cc(C)c(Cl)cc2n1 ZINC000072237435 191080522 /nfs/dbraw/zinc/08/05/22/191080522.db2.gz RVRFVRDGCHYZQE-UHFFFAOYSA-N 0 0 307.777 3.835 10 0 DHAERN CC(C)(C)c1ccc(-c2nc(-c3ccc(O)c(N)c3)n[nH]2)cc1 ZINC000072237567 191080666 /nfs/dbraw/zinc/08/06/66/191080666.db2.gz NNMBOHKUCUFCSU-UHFFFAOYSA-N 0 0 308.385 3.724 10 0 DHAERN Clc1ccc(-c2nc3nccc(-c4ccccn4)n3n2)cc1 ZINC000072451477 191170134 /nfs/dbraw/zinc/17/01/34/191170134.db2.gz QRJKMNVOXOIKER-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN CCc1ccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)cc1 ZINC000072467675 191174580 /nfs/dbraw/zinc/17/45/80/191174580.db2.gz DJNAOSNUWNXPFJ-UHFFFAOYSA-N 0 0 310.401 3.520 10 0 DHAERN Cc1ccccc1NC(=O)c1cnc(N2CCC(C)CC2)nc1C ZINC000072465021 191174669 /nfs/dbraw/zinc/17/46/69/191174669.db2.gz BFANPNNPVWNKBS-UHFFFAOYSA-N 0 0 324.428 3.582 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000072568357 191195199 /nfs/dbraw/zinc/19/51/99/191195199.db2.gz MZLXJPWDARDRLZ-ZDUSSCGKSA-N 0 0 320.433 3.737 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CSc2ccc(F)c(F)c2)o1 ZINC000072749421 191225877 /nfs/dbraw/zinc/22/58/77/191225877.db2.gz SDUGUFZONRDMIZ-JTQLQIEISA-N 0 0 311.353 3.836 10 0 DHAERN CCN(CC)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000525376 180813161 /nfs/dbraw/zinc/81/31/61/180813161.db2.gz KLCWRNXUWBZEBB-UHFFFAOYSA-N 0 0 312.438 3.710 10 0 DHAERN CCOc1ccc2oc(C(=O)Nc3nccs3)c(C)c2c1 ZINC000003325306 181005307 /nfs/dbraw/zinc/00/53/07/181005307.db2.gz XRKUNIMTMZAMMG-UHFFFAOYSA-N 0 0 302.355 3.849 10 0 DHAERN O=c1c(Cl)nc(Cl)c(-c2ccccc2)n1Cc1ccco1 ZINC000003651213 181043668 /nfs/dbraw/zinc/04/36/68/181043668.db2.gz WHIBWOZZFXEMNL-UHFFFAOYSA-N 0 0 321.163 3.858 10 0 DHAERN C[C@H](c1cccc(C(F)(F)F)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000003760680 181045310 /nfs/dbraw/zinc/04/53/10/181045310.db2.gz RWUXYYDBYCSGMF-SNVBAGLBSA-N 0 0 301.308 3.563 10 0 DHAERN Cc1cc(C(=O)N2CCCc3c(N)cccc32)c(C)n1C(C)C ZINC000236785357 202007515 /nfs/dbraw/zinc/00/75/15/202007515.db2.gz JOZQIZUXEHVGBH-UHFFFAOYSA-N 0 0 311.429 3.861 10 0 DHAERN Cc1cccc(C(=O)Oc2ccc(Br)cc2C=O)c1 ZINC000004201732 181084337 /nfs/dbraw/zinc/08/43/37/181084337.db2.gz DUBOUTXHYKNLMK-UHFFFAOYSA-N 0 0 319.154 3.789 10 0 DHAERN CN(C)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004253503 181088770 /nfs/dbraw/zinc/08/87/70/181088770.db2.gz HGKACNAGXRNBTQ-UHFFFAOYSA-N 0 0 315.373 3.754 10 0 DHAERN Cc1cccc(C)c1N(C)C(=O)c1cnccc1C(F)(F)F ZINC000004382946 181104078 /nfs/dbraw/zinc/10/40/78/181104078.db2.gz OQPHZBPIULULBC-UHFFFAOYSA-N 0 0 308.303 3.994 10 0 DHAERN COc1cc(OC)c(C(=O)CCc2ccccc2)c(OC)c1 ZINC000004716499 181141887 /nfs/dbraw/zinc/14/18/87/181141887.db2.gz ASIBRDHUNIEPQI-UHFFFAOYSA-N 0 0 300.354 3.528 10 0 DHAERN CCCCC(=O)Nc1sc2c(c1C(=O)NC)CCCCC2 ZINC000005055815 181198619 /nfs/dbraw/zinc/19/86/19/181198619.db2.gz QSGNIHJHPXPYLB-UHFFFAOYSA-N 0 0 308.447 3.505 10 0 DHAERN O=S1(=O)Nc2c3c1cccc3c(Cl)c(Cl)c2Cl ZINC000005332533 181230464 /nfs/dbraw/zinc/23/04/64/181230464.db2.gz QWLSBCODSSOKJA-UHFFFAOYSA-N 0 0 308.573 3.914 10 0 DHAERN CCC[C@H](C)NC(=O)c1ccccc1C(=O)N[C@@H](C)CCC ZINC000005432053 181242905 /nfs/dbraw/zinc/24/29/05/181242905.db2.gz VOSACQGRIMFAAT-KBPBESRZSA-N 0 0 304.434 3.523 10 0 DHAERN Brc1ccc([C@H](c2ccccc2)C2OCCO2)cc1 ZINC000005487543 181249172 /nfs/dbraw/zinc/24/91/72/181249172.db2.gz IPOJODFLQGFNJK-HNNXBMFYSA-N 0 0 319.198 3.954 10 0 DHAERN Brc1ccc([C@@H](c2ccccc2)C2OCCO2)cc1 ZINC000005489551 181249246 /nfs/dbraw/zinc/24/92/46/181249246.db2.gz IPOJODFLQGFNJK-OAHLLOKOSA-N 0 0 319.198 3.954 10 0 DHAERN CCCCCCC(=O)N1CCN(C(=O)CCCCCC)CC1 ZINC000005523913 181253263 /nfs/dbraw/zinc/25/32/63/181253263.db2.gz FEFHVXVBNCGEEX-UHFFFAOYSA-N 0 0 310.482 3.598 10 0 DHAERN CCCCc1nnc(NC(=O)/C=C/c2ccc(F)cc2)s1 ZINC000005608272 181263405 /nfs/dbraw/zinc/26/34/05/181263405.db2.gz ZHTKFZCUVTYJBF-JXMROGBWSA-N 0 0 305.378 3.672 10 0 DHAERN CC(C)C(=O)Nc1nnc(SCc2ccccc2F)s1 ZINC000005632753 181266039 /nfs/dbraw/zinc/26/60/39/181266039.db2.gz HXZDFJDBHOSYSS-UHFFFAOYSA-N 0 0 311.407 3.564 10 0 DHAERN CC[C@H](C)Oc1cc(=O)[nH]c(Sc2ccc(Cl)cc2)n1 ZINC000005885345 181293116 /nfs/dbraw/zinc/29/31/16/181293116.db2.gz JTFODQIOWZNFCS-VIFPVBQESA-N 0 0 310.806 3.752 10 0 DHAERN CC[C@H](C)Oc1cc(=O)[nH]c(Sc2cc(C)cc(C)c2)n1 ZINC000005885330 181293229 /nfs/dbraw/zinc/29/32/29/181293229.db2.gz VMHOBPPRSAODTK-LBPRGKRZSA-N 0 0 304.415 3.715 10 0 DHAERN COc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1 ZINC000006305649 181327867 /nfs/dbraw/zinc/32/78/67/181327867.db2.gz ZLQAPTNUINGVNP-UHFFFAOYSA-N 0 0 312.369 3.542 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000006329190 181330333 /nfs/dbraw/zinc/33/03/33/181330333.db2.gz VQNKXLLRAYQEBW-NGZCFLSTSA-N 0 0 312.182 3.963 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000006396647 181337242 /nfs/dbraw/zinc/33/72/42/181337242.db2.gz XRBJJBSBFBEPET-HUUCEWRRSA-N 0 0 316.445 3.933 10 0 DHAERN CC(=O)Oc1ccc(C(=O)N2c3ccccc3CC[C@@H]2C)cc1 ZINC000196122196 201422344 /nfs/dbraw/zinc/42/23/44/201422344.db2.gz JMUBWSRVQTZPPW-ZDUSSCGKSA-N 0 0 309.365 3.593 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CNc3ccccc32)C1 ZINC000091303106 193035849 /nfs/dbraw/zinc/03/58/49/193035849.db2.gz UVKWHITVTJOVCV-HIFRSBDPSA-N 0 0 302.418 3.843 10 0 DHAERN CCOC(=O)c1c(Cl)nc2c(c1Cl)C(=O)CC(C)(C)C2 ZINC000091691808 193092889 /nfs/dbraw/zinc/09/28/89/193092889.db2.gz SSESXHWTLKMVTK-UHFFFAOYSA-N 0 0 316.184 3.720 10 0 DHAERN CCN(C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000092036331 193144145 /nfs/dbraw/zinc/14/41/45/193144145.db2.gz QMJGEKPEYHEBEI-ZDUSSCGKSA-N 0 0 300.324 3.818 10 0 DHAERN C[C@@H]1C[C@@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 ZINC000261508608 203073761 /nfs/dbraw/zinc/07/37/61/203073761.db2.gz VEIFLRPBZJRUJN-DGCLKSJQSA-N 0 0 301.308 3.844 10 0 DHAERN CCOC(=O)C1=C(c2ccccc2Cl)N=C2SC=C[C@H]21 ZINC000261506867 203074340 /nfs/dbraw/zinc/07/43/40/203074340.db2.gz BUBXJBGDZGRPGZ-JTQLQIEISA-N 0 0 305.786 3.903 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCc3cc(F)ccc3C2)o1 ZINC000093292163 193225411 /nfs/dbraw/zinc/22/54/11/193225411.db2.gz ZPTVPQAMEOYSJR-LBPRGKRZSA-N 0 0 302.349 3.556 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2Cc2cc(C(N)=O)cs2)o1 ZINC000093459151 193254525 /nfs/dbraw/zinc/25/45/25/193254525.db2.gz NVPBGSYYYMQBQZ-HNNXBMFYSA-N 0 0 318.442 3.730 10 0 DHAERN CCN(c1ccc(I)cc1)C(F)(F)F ZINC000095091113 193422050 /nfs/dbraw/zinc/42/20/50/193422050.db2.gz XVCLTXUXXXYLKW-UHFFFAOYSA-N 0 0 315.076 3.637 10 0 DHAERN Brc1cncc(N[C@@H]2CCOc3ccccc32)c1 ZINC000134777060 335014784 /nfs/dbraw/zinc/01/47/84/335014784.db2.gz NSYLAPLZTGZFDV-CYBMUJFWSA-N 0 0 305.175 3.780 10 0 DHAERN CCCOc1ccc(C(=O)N[C@@H](C)CC)cc1Br ZINC000010120532 181657540 /nfs/dbraw/zinc/65/75/40/181657540.db2.gz XYBBBLMEFBKRGN-JTQLQIEISA-N 0 0 314.223 3.766 10 0 DHAERN O=C(CCc1cccc(F)c1)NC12CC3CC(CC(C3)C1)C2 ZINC000010402247 181668315 /nfs/dbraw/zinc/66/83/15/181668315.db2.gz CBGUFALXQGUQBN-UHFFFAOYSA-N 0 0 301.405 3.843 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)n2nc(C)c(C)c2C)cc1 ZINC000010155623 181659049 /nfs/dbraw/zinc/65/90/49/181659049.db2.gz LBIUILPKHPUMCW-UHFFFAOYSA-N 0 0 313.401 3.626 10 0 DHAERN CCCc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CC3)cc1 ZINC000013696027 181881226 /nfs/dbraw/zinc/88/12/26/181881226.db2.gz MUTUDDQCHWXODW-UHFFFAOYSA-N 0 0 322.408 3.800 10 0 DHAERN c1ccc(OCCOc2ncnc3c4ccccc4oc32)cc1 ZINC000015866528 182023055 /nfs/dbraw/zinc/02/30/55/182023055.db2.gz FEYNGNVUHLDDTQ-UHFFFAOYSA-N 0 0 306.321 3.834 10 0 DHAERN COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c(OC)c1 ZINC000016018230 182029160 /nfs/dbraw/zinc/02/91/60/182029160.db2.gz VRAFZZZIBFEIBL-NSHDSACASA-N 0 0 319.788 3.848 10 0 DHAERN COc1ccc(NC(=O)CSc2ccc(N)cc2)cc1Cl ZINC000017056338 182073319 /nfs/dbraw/zinc/07/33/19/182073319.db2.gz MLWHEDGEARVKDG-UHFFFAOYSA-N 0 0 322.817 3.662 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)c1ccc(O)cc1 ZINC000019429188 182122883 /nfs/dbraw/zinc/12/28/83/182122883.db2.gz SYXFEXIBMAISHA-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2N)s1 ZINC000019803807 182151745 /nfs/dbraw/zinc/15/17/45/182151745.db2.gz HYFOFTNDMPCWOW-UHFFFAOYSA-N 0 0 300.305 3.910 10 0 DHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccccc1Br ZINC000019911438 182163949 /nfs/dbraw/zinc/16/39/49/182163949.db2.gz CILAVAYZNUVRAH-SNVBAGLBSA-N 0 0 319.202 3.721 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1ccc(Br)cc1 ZINC000019875050 182158911 /nfs/dbraw/zinc/15/89/11/182158911.db2.gz KIEGXUXDXZQZOF-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN CC(C)N(Cc1ccccc1)C(=O)c1cc(Cl)ccc1N ZINC000019985124 182173547 /nfs/dbraw/zinc/17/35/47/182173547.db2.gz NJDOKAUUYXVBIM-UHFFFAOYSA-N 0 0 302.805 3.973 10 0 DHAERN Cc1c(N)cccc1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000019989553 182174534 /nfs/dbraw/zinc/17/45/34/182174534.db2.gz VOHIWLZHRVJAOS-UHFFFAOYSA-N 0 0 323.223 3.857 10 0 DHAERN COc1cccc(SCC(=O)Nc2ccc(Cl)c(N)c2)c1 ZINC000020012560 182177800 /nfs/dbraw/zinc/17/78/00/182177800.db2.gz OMASNUDJLKEUQF-UHFFFAOYSA-N 0 0 322.817 3.662 10 0 DHAERN Cc1cccc(N2CCN(c3c(N)cccc3Cl)CC2)c1 ZINC000020007656 182176700 /nfs/dbraw/zinc/17/67/00/182176700.db2.gz XVEBTGCOSAWWCS-UHFFFAOYSA-N 0 0 301.821 3.557 10 0 DHAERN NC(=S)c1ccccc1Oc1ccc(Br)cc1 ZINC000020077431 182185031 /nfs/dbraw/zinc/18/50/31/182185031.db2.gz BORQFTWXFHPDQC-UHFFFAOYSA-N 0 0 308.200 3.876 10 0 DHAERN CC(C)(C)OC(=O)N1CCC([C@@H]2CNc3ccccc32)CC1 ZINC000020281067 182203242 /nfs/dbraw/zinc/20/32/42/182203242.db2.gz TYJQMBWKHHMMRZ-HNNXBMFYSA-N 0 0 302.418 3.843 10 0 DHAERN Cc1nc2scc(-c3ccc(F)cc3)c2c(NCCCO)n1 ZINC000020325720 182207547 /nfs/dbraw/zinc/20/75/47/182207547.db2.gz NMRXIOVQOWVVQR-UHFFFAOYSA-N 0 0 317.389 3.600 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)C3CCCCC3)n2)c1 ZINC000020336164 182209272 /nfs/dbraw/zinc/20/92/72/182209272.db2.gz QBWWYLPOXPDFRO-UHFFFAOYSA-N 0 0 301.415 3.911 10 0 DHAERN Cc1cccc(NC(=O)[C@@H]2CCn3c(nc4ccccc43)C2)c1 ZINC000021884233 182296058 /nfs/dbraw/zinc/29/60/58/182296058.db2.gz DJHWCHBGNZGCKU-CQSZACIVSA-N 0 0 305.381 3.546 10 0 DHAERN CCO[P@](C)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000021993307 182302552 /nfs/dbraw/zinc/30/25/52/182302552.db2.gz HNSKHOXTQXRRLA-FQEVSTJZSA-N 0 0 316.677 3.993 10 0 DHAERN Cc1cccc(N)c1C(=O)Nc1cccc(Br)c1 ZINC000022221836 182313555 /nfs/dbraw/zinc/31/35/55/182313555.db2.gz XSXLZQUNDRGKEQ-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN O=C(Nc1c(Cl)cccc1Cl)c1cncc(Cl)n1 ZINC000098181377 193792004 /nfs/dbraw/zinc/79/20/04/193792004.db2.gz HGTWYPDVXLQGIU-UHFFFAOYSA-N 0 0 302.548 3.689 10 0 DHAERN O=C1C(=Cc2ccc3cc[nH]c3c2)NC(=S)N1c1ccccc1 ZINC000100469761 193799775 /nfs/dbraw/zinc/79/97/75/193799775.db2.gz INDRZRVWMSLSFU-WJDWOHSUSA-N 0 0 319.389 3.841 10 0 DHAERN O=C(/C=C\c1ccc(F)cc1)NCCc1cccc(Cl)c1 ZINC000033316697 182703188 /nfs/dbraw/zinc/70/31/88/182703188.db2.gz CXDKKLDUQPBNES-TWGQIWQCSA-N 0 0 303.764 3.851 10 0 DHAERN CCS(=O)(=O)Nc1cccc(-c2cc3cc(F)ccc3[nH]2)c1 ZINC000033106133 182692915 /nfs/dbraw/zinc/69/29/15/182692915.db2.gz PROLGIADMARYJR-UHFFFAOYSA-N 0 0 318.373 3.736 10 0 DHAERN Nc1cccc2c1CN(Cc1ccc(Br)s1)C2 ZINC000036683674 182834847 /nfs/dbraw/zinc/83/48/47/182834847.db2.gz VLWQZXWXOGYWCA-UHFFFAOYSA-N 0 0 309.232 3.609 10 0 DHAERN Cn1c(Cl)cnc1CNc1cc(Br)ccc1F ZINC000036751856 182840778 /nfs/dbraw/zinc/84/07/78/182840778.db2.gz YWOZXMGKKIFWOY-UHFFFAOYSA-N 0 0 318.577 3.587 10 0 DHAERN CC[C@H](C)C(=O)c1cc2c(cc1Br)CCN2C(C)=O ZINC000037370639 182884827 /nfs/dbraw/zinc/88/48/27/182884827.db2.gz AUOGJXCOHFCJIL-VIFPVBQESA-N 0 0 324.218 3.587 10 0 DHAERN O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ncc(Br)s1 ZINC000037387261 182885650 /nfs/dbraw/zinc/88/56/50/182885650.db2.gz MNTGCPQZDXBDSQ-YIZRAAEISA-N 0 0 315.236 3.670 10 0 DHAERN CCn1cc(N[C@@H](C)c2cccc(Br)c2)ccc1=O ZINC000037773665 182924507 /nfs/dbraw/zinc/92/45/07/182924507.db2.gz OXBVLXSTPKYFKW-NSHDSACASA-N 0 0 321.218 3.804 10 0 DHAERN COC(=O)[C@H](Nc1ccccc1)c1ccc(Br)cc1 ZINC000037954101 182942874 /nfs/dbraw/zinc/94/28/74/182942874.db2.gz IBGJNXRFRVSKRP-CQSZACIVSA-N 0 0 320.186 3.775 10 0 DHAERN CCOC(=O)[C@](C)(CC)Nc1ccc(Br)cc1 ZINC000037960519 182943328 /nfs/dbraw/zinc/94/33/28/182943328.db2.gz JZOURVDSLLVVNV-ZDUSSCGKSA-N 0 0 300.196 3.593 10 0 DHAERN COCCCN(C(=O)Nc1ccccc1)[C@@H](C)c1ccncc1 ZINC000038143892 182993952 /nfs/dbraw/zinc/99/39/52/182993952.db2.gz CZUUYFAMLQMEEX-HNNXBMFYSA-N 0 0 313.401 3.713 10 0 DHAERN Cn1cc(COc2ccc3ccccc3c2Br)cn1 ZINC000038077768 182986107 /nfs/dbraw/zinc/98/61/07/182986107.db2.gz RVOPDTWCQVRPOF-UHFFFAOYSA-N 0 0 317.186 3.915 10 0 DHAERN Cc1ccc(S(=O)(=O)N2C[C@H]2c2ccc3ccccc3c2)cc1 ZINC000038882977 183012007 /nfs/dbraw/zinc/01/20/07/183012007.db2.gz VDXITXKENBMEIA-XJDOXCRVSA-N 0 0 323.417 3.894 10 0 DHAERN COC(=O)c1ccc(-c2cn3ccc(C(F)(F)F)cc3n2)cc1 ZINC000039325721 183017474 /nfs/dbraw/zinc/01/74/74/183017474.db2.gz IAULBTDPFGHGFQ-UHFFFAOYSA-N 0 0 320.270 3.807 10 0 DHAERN CCCCCn1c(CNC(=O)c2ccncc2)nc2ccccc21 ZINC000040183771 183044872 /nfs/dbraw/zinc/04/48/72/183044872.db2.gz NUAVKUSJNLRQOX-UHFFFAOYSA-N 0 0 322.412 3.552 10 0 DHAERN CCCn1c(CCCCCNC(=O)CC)nc2ccccc21 ZINC000040211062 183045722 /nfs/dbraw/zinc/04/57/22/183045722.db2.gz ODRVGDQBHLXJAF-UHFFFAOYSA-N 0 0 301.434 3.685 10 0 DHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1 ZINC000040307220 183053331 /nfs/dbraw/zinc/05/33/31/183053331.db2.gz VTZRMUWDARYVPV-UHFFFAOYSA-N 0 0 321.424 3.926 10 0 DHAERN Cc1cc2nc(CCCO)n(Cc3ccccc3F)c2cc1C ZINC000040310971 183053488 /nfs/dbraw/zinc/05/34/88/183053488.db2.gz FPOCCIUGZSWWMN-UHFFFAOYSA-N 0 0 312.388 3.765 10 0 DHAERN Cc1cc2nc(CCO)n(C/C=C/c3ccccc3)c2cc1C ZINC000040310765 183053724 /nfs/dbraw/zinc/05/37/24/183053724.db2.gz MJBOBLNEHVHIKR-RMKNXTFCSA-N 0 0 306.409 3.901 10 0 DHAERN Cc1nc2cc(C(=O)NCc3c(F)cccc3Cl)ccc2[nH]1 ZINC000040311838 183053749 /nfs/dbraw/zinc/05/37/49/183053749.db2.gz QCVIRFSUYYEONW-UHFFFAOYSA-N 0 0 317.751 3.594 10 0 DHAERN C[C@@H](Oc1cccc(N)c1)C(=O)c1ccc(Br)cc1 ZINC000040353661 183056312 /nfs/dbraw/zinc/05/63/12/183056312.db2.gz FVELTAKQJJHRHC-SNVBAGLBSA-N 0 0 320.186 3.682 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(NCCC(C)C)c2N)c1 ZINC000040681574 183116999 /nfs/dbraw/zinc/11/69/99/183116999.db2.gz KHPRLBTZKXIORQ-UHFFFAOYSA-N 0 0 300.406 3.926 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3ccccc3C)c2N)c1 ZINC000040701348 183119726 /nfs/dbraw/zinc/11/97/26/183119726.db2.gz LLDCHJXDYIFSEZ-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3cc(C)ccn3)c2N)cc1 ZINC000040701409 183120046 /nfs/dbraw/zinc/12/00/46/183120046.db2.gz ZNYDCOOCWGCTMV-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1cccc2sc(Nc3ncnc(NC(C)C)c3N)nc21 ZINC000040708205 183120839 /nfs/dbraw/zinc/12/08/39/183120839.db2.gz YETJZQBXWZWZEN-UHFFFAOYSA-N 0 0 314.418 3.541 10 0 DHAERN COc1ccccc1Nc1ncnc(Nc2ccccc2C)c1N ZINC000040781158 183132890 /nfs/dbraw/zinc/13/28/90/183132890.db2.gz RROTVPQQDRYRFH-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN Nc1c(Nc2ccccc2Cl)ncnc1Oc1cccnc1 ZINC000040781338 183133300 /nfs/dbraw/zinc/13/33/00/183133300.db2.gz NUVLMDIQVKXLHN-UHFFFAOYSA-N 0 0 313.748 3.643 10 0 DHAERN Nc1c(Nc2cc(F)ccc2F)ncnc1Oc1ccccc1 ZINC000040796101 183135400 /nfs/dbraw/zinc/13/54/00/183135400.db2.gz JOLAPDIPIDAHOF-UHFFFAOYSA-N 0 0 314.295 3.873 10 0 DHAERN Cc1ccccc1NC(=O)c1cnc2cc(Cl)ccc2c1O ZINC000041055985 183160122 /nfs/dbraw/zinc/16/01/22/183160122.db2.gz YQEFOUIEAIEYQV-UHFFFAOYSA-N 0 0 312.756 3.742 10 0 DHAERN CC(C)[C@H](C)NC(=O)C(=O)Nc1cccc(-c2cccs2)c1 ZINC000102079636 193861082 /nfs/dbraw/zinc/86/10/82/193861082.db2.gz RTRBBRVEYJUVCS-LBPRGKRZSA-N 0 0 316.426 3.514 10 0 DHAERN COc1ccccc1C[C@H](O)c1cccc(Br)c1 ZINC000041538323 183200734 /nfs/dbraw/zinc/20/07/34/183200734.db2.gz HYVHXMDSEUHVLK-AWEZNQCLSA-N 0 0 307.187 3.734 10 0 DHAERN OC[C@@H](Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000041542929 183201095 /nfs/dbraw/zinc/20/10/95/183201095.db2.gz MMHBPXLKSFUJRH-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN Brc1nc(-c2ccc3c(c2)OCCCO3)cs1 ZINC000041562959 183202208 /nfs/dbraw/zinc/20/22/08/183202208.db2.gz AKDOBISQXIGKLM-UHFFFAOYSA-N 0 0 312.188 3.734 10 0 DHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C ZINC000041779519 183219687 /nfs/dbraw/zinc/21/96/87/183219687.db2.gz UZBIANWZAHZREG-KBXCAEBGSA-N 0 0 324.424 3.778 10 0 DHAERN Cc1ccc(-c2nnnn2-c2ccc(Cl)c(Cl)c2)cc1N ZINC000042014949 183229076 /nfs/dbraw/zinc/22/90/76/183229076.db2.gz YZLIRSBOSOLDBU-UHFFFAOYSA-N 0 0 320.183 3.527 10 0 DHAERN O[C@@H](CCc1ccccc1)Cc1ccccc1Br ZINC000042406906 183265392 /nfs/dbraw/zinc/26/53/92/183265392.db2.gz PUHIXCKXTMRTDF-HNNXBMFYSA-N 0 0 305.215 3.985 10 0 DHAERN COc1cc(Br)c([C@@H](O)C(C)(C)C)cc1OC ZINC000042352191 183257350 /nfs/dbraw/zinc/25/73/50/183257350.db2.gz LXLLPNJEMHTYNT-GFCCVEGCSA-N 0 0 303.196 3.546 10 0 DHAERN Nc1cc(Br)ccc1N(CC(F)(F)F)C1CC1 ZINC000042740938 183304018 /nfs/dbraw/zinc/30/40/18/183304018.db2.gz MPLWDGUKYVFLEW-UHFFFAOYSA-N 0 0 309.129 3.562 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000043066792 183333767 /nfs/dbraw/zinc/33/37/67/183333767.db2.gz NQRQBNIUPHJHHE-UONOGXRCSA-N 0 0 315.417 3.761 10 0 DHAERN Nc1ccc(OCc2sccc2Br)c(F)c1 ZINC000043674196 183378495 /nfs/dbraw/zinc/37/84/95/183378495.db2.gz MEGGNFKJKYSGSF-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN Nc1ccc(F)cc1OCc1cc(Br)cs1 ZINC000043686601 183380255 /nfs/dbraw/zinc/38/02/55/183380255.db2.gz ZZAXULHVTKDWLX-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN COc1cc(Cl)c(C)c2c(=O)[nH]c(-c3ccccc3)nc12 ZINC000045817692 183531032 /nfs/dbraw/zinc/53/10/32/183531032.db2.gz UQOOYEIKYKKYFR-UHFFFAOYSA-N 0 0 300.745 3.561 10 0 DHAERN CC[C@@H]1C(=O)N(c2ncc(C(F)(F)F)cc2Cl)N=C1C ZINC000104767652 194036351 /nfs/dbraw/zinc/03/63/51/194036351.db2.gz PTVYLXZFZPKQAB-QMMMGPOBSA-N 0 0 305.687 3.503 10 0 DHAERN CC[C@@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nc(C)cs1 ZINC000104786437 194039990 /nfs/dbraw/zinc/03/99/90/194039990.db2.gz PGGKNKRUSBEVFG-VXGBXAGGSA-N 0 0 307.419 3.864 10 0 DHAERN COc1ccc(Br)cc1C[C@H](O)c1ccccc1 ZINC000049598519 183746798 /nfs/dbraw/zinc/74/67/98/183746798.db2.gz MOUXWDUAUCHVMP-AWEZNQCLSA-N 0 0 307.187 3.734 10 0 DHAERN CCNc1ccc(COc2cccc(Br)c2)cn1 ZINC000050831087 183806302 /nfs/dbraw/zinc/80/63/02/183806302.db2.gz MRWSTPUDLNGQCF-UHFFFAOYSA-N 0 0 307.191 3.855 10 0 DHAERN Cc1cc(Br)cc2c(N)cc(C(F)(F)F)nc12 ZINC000050868869 183806884 /nfs/dbraw/zinc/80/68/84/183806884.db2.gz IVTRLOGIPXSDFG-UHFFFAOYSA-N 0 0 305.097 3.907 10 0 DHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cccc(Cl)n1 ZINC000051073587 183813190 /nfs/dbraw/zinc/81/31/90/183813190.db2.gz GCOVBHCTABTXJI-UHFFFAOYSA-N 0 0 306.715 3.586 10 0 DHAERN CCc1ccc2oc(C(=O)Nc3ccccc3C(N)=O)c(C)c2c1 ZINC000054644776 183947164 /nfs/dbraw/zinc/94/71/64/183947164.db2.gz NCNGHNGXWPOQBG-UHFFFAOYSA-N 0 0 322.364 3.655 10 0 DHAERN CC(C)(C)OC(=O)Nc1cccc2c1CCN[C@@H]2C(F)(F)F ZINC000057219167 184029966 /nfs/dbraw/zinc/02/99/66/184029966.db2.gz MZUQLFFDWPFYSI-LBPRGKRZSA-N 0 0 316.323 3.783 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC(OCC(C)C)CC1 ZINC000056778652 184019257 /nfs/dbraw/zinc/01/92/57/184019257.db2.gz KPRFHTYTXVYGLZ-INIZCTEOSA-N 0 0 318.461 3.903 10 0 DHAERN COc1cccc(NCc2ccc(O)c(Br)c2)c1 ZINC000057997996 184066180 /nfs/dbraw/zinc/06/61/80/184066180.db2.gz LKSCSVWJJCAVEV-UHFFFAOYSA-N 0 0 308.175 3.775 10 0 DHAERN C[C@@](CO)(Nc1ccccc1)c1ccc(F)c(Br)c1 ZINC000061689707 184182798 /nfs/dbraw/zinc/18/27/98/184182798.db2.gz CLHDMUPVBSWWCH-HNNXBMFYSA-N 0 0 324.193 3.908 10 0 DHAERN CCc1c(C)nn(-c2ccc([C@H](C)O)cc2Br)c1C ZINC000061697242 184183948 /nfs/dbraw/zinc/18/39/48/184183948.db2.gz DHNOZPZRPQPNIG-NSHDSACASA-N 0 0 323.234 3.867 10 0 DHAERN Brc1ccccc1NCCSC1CCOCC1 ZINC000062056887 184203328 /nfs/dbraw/zinc/20/33/28/184203328.db2.gz DQWUDISVSZUTFW-UHFFFAOYSA-N 0 0 316.264 3.773 10 0 DHAERN O=C(c1ccc2c(c1)COC2)c1cc(F)cc(Br)c1 ZINC000062331685 184230983 /nfs/dbraw/zinc/23/09/83/184230983.db2.gz YMMUBRCEHYQDJG-UHFFFAOYSA-N 0 0 321.145 3.849 10 0 DHAERN Oc1ccc(CNc2cccnc2Cl)cc1Br ZINC000062702488 184247942 /nfs/dbraw/zinc/24/79/42/184247942.db2.gz PAGPEAZSJFMHHR-UHFFFAOYSA-N 0 0 313.582 3.815 10 0 DHAERN Oc1ccc(CNc2ccc3cn[nH]c3c2)cc1Br ZINC000062702658 184247948 /nfs/dbraw/zinc/24/79/48/184247948.db2.gz DRRXLVVPWTVPDV-UHFFFAOYSA-N 0 0 318.174 3.643 10 0 DHAERN COc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1 ZINC000062986724 184264885 /nfs/dbraw/zinc/26/48/85/184264885.db2.gz ZDLFJIYTFXBIRF-UHFFFAOYSA-N 0 0 321.096 3.662 10 0 DHAERN CCCN(C(=O)c1ccc(Br)o1)c1ccccc1N ZINC000063112993 184271216 /nfs/dbraw/zinc/27/12/16/184271216.db2.gz ZKMVBBNHUUEQSE-UHFFFAOYSA-N 0 0 323.190 3.681 10 0 DHAERN CC(=O)NCc1ccc(-c2noc(CCC3CCCC3)n2)s1 ZINC000065096852 184310687 /nfs/dbraw/zinc/31/06/87/184310687.db2.gz YPFJOBIGGHHBQD-UHFFFAOYSA-N 0 0 319.430 3.557 10 0 DHAERN CCc1ncc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000065106343 184310757 /nfs/dbraw/zinc/31/07/57/184310757.db2.gz QHLBRLGJDNMJGQ-RKDXNWHRSA-N 0 0 306.353 3.556 10 0 DHAERN C[C@@H](c1ccccc1C(F)(F)F)n1cc2[nH]cccc-2c1=O ZINC000065371924 184329985 /nfs/dbraw/zinc/32/99/85/184329985.db2.gz CPZOMXPZPGIUEY-JTQLQIEISA-N 0 0 306.287 3.817 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)C[C@@H](C)O1 ZINC000067356051 184462084 /nfs/dbraw/zinc/46/20/84/184462084.db2.gz QPOBSJCIZNSRCJ-NXEZZACHSA-N 0 0 316.373 3.642 10 0 DHAERN CSc1ccccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000152201261 196787824 /nfs/dbraw/zinc/78/78/24/196787824.db2.gz WBHGKUVNHRRRGK-DYVFJYSZSA-N 0 0 320.458 3.567 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(F)c(Br)c1 ZINC000165745208 335056733 /nfs/dbraw/zinc/05/67/33/335056733.db2.gz AOVVZRKCPUVIJO-QMMMGPOBSA-N 0 0 312.186 3.803 10 0 DHAERN CCc1ccc2occ(C(=O)N3CC[C@H]4[C@@H](C3)C4(F)F)c2c1 ZINC000408517549 257255266 /nfs/dbraw/zinc/25/52/66/257255266.db2.gz KHKFIIHMRCUMTM-UONOGXRCSA-N 0 0 305.324 3.722 10 0 DHAERN CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 ZINC000071790690 184842446 /nfs/dbraw/zinc/84/24/46/184842446.db2.gz DZNFOHLHKBCPLP-IAGOWNOFSA-N 0 0 319.445 3.724 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2cccc(C)c2F)cc1OC ZINC000120481083 132142270 /nfs/dbraw/zinc/14/22/70/132142270.db2.gz FOILNHWCDRMQOO-GFCCVEGCSA-N 0 0 317.360 3.642 10 0 DHAERN O=C1C[C@H]2CCC[C@@H](C1)N2c1ccc(Br)cc1F ZINC000054600903 134772995 /nfs/dbraw/zinc/77/29/95/134772995.db2.gz JBQFQGFOJYTKFN-PHIMTYICSA-N 0 0 312.182 3.679 10 0 DHAERN CO[C@H](c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1)c1ccccc1 ZINC000299746327 229388201 /nfs/dbraw/zinc/38/82/01/229388201.db2.gz WRMWCBYZKCSHJJ-KKUMJFAQSA-N 0 0 316.401 3.724 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@H]3CCCC3(C)C)C2)n1 ZINC000174979528 332871936 /nfs/dbraw/zinc/87/19/36/332871936.db2.gz NKOOFENEUZSMRP-KBPBESRZSA-N 0 0 321.490 3.919 10 0 DHAERN Cc1ccc(CCCC(=O)N[C@@H]2COc3ccccc32)s1 ZINC000175702453 332903313 /nfs/dbraw/zinc/90/33/13/332903313.db2.gz KEGYHWNHEHRYSV-OAHLLOKOSA-N 0 0 301.411 3.629 10 0 DHAERN O=C(NCCc1ccccc1F)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109080391 331509163 /nfs/dbraw/zinc/50/91/63/331509163.db2.gz OPHMIOFNDVNBLB-UONOGXRCSA-N 0 0 319.326 3.566 10 0 DHAERN Cc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109084522 331510027 /nfs/dbraw/zinc/51/00/27/331510027.db2.gz PKVKATIPTVSXOA-GJZGRUSLSA-N 0 0 301.336 3.693 10 0 DHAERN O=C(NCc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000047616976 331588009 /nfs/dbraw/zinc/58/80/09/331588009.db2.gz BIFDVVDRHLTURI-HNNXBMFYSA-N 0 0 316.788 3.663 10 0 DHAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000255533075 331765776 /nfs/dbraw/zinc/76/57/76/331765776.db2.gz XYUDAVXLKJVOGL-XYJFISCASA-N 0 0 313.347 3.872 10 0 DHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000186641597 332940580 /nfs/dbraw/zinc/94/05/80/332940580.db2.gz XIVIZIZTGLXLTK-DYVFJYSZSA-N 0 0 317.433 3.515 10 0 DHAERN CC[C@H](NC(=O)c1cccc2c1CCCN2)c1cccs1 ZINC000130226698 332023306 /nfs/dbraw/zinc/02/33/06/332023306.db2.gz IVQRAOFTKJPRAG-AWEZNQCLSA-N 0 0 300.427 3.987 10 0 DHAERN C[C@@H](NC(=O)c1cccc(Br)c1F)C1CCCC1 ZINC000235206421 332031651 /nfs/dbraw/zinc/03/16/51/332031651.db2.gz QKPWIORUQYHYEO-SECBINFHSA-N 0 0 314.198 3.897 10 0 DHAERN CC(=O)c1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1C ZINC000089451412 332069611 /nfs/dbraw/zinc/06/96/11/332069611.db2.gz GJEHCBXXCXMKPC-QGZVFWFLSA-N 0 0 324.380 3.843 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)C1 ZINC000181146138 332186417 /nfs/dbraw/zinc/18/64/17/332186417.db2.gz WGNINAKQAJHXDC-QWRGUYRKSA-N 0 0 317.355 3.846 10 0 DHAERN CSCCCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181295715 332189658 /nfs/dbraw/zinc/18/96/58/332189658.db2.gz DVRQAXQHXQXQSZ-CJNGLKHVSA-N 0 0 306.475 3.671 10 0 DHAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@H](C)c1cc2ccccc2o1 ZINC000150794012 332195675 /nfs/dbraw/zinc/19/56/75/332195675.db2.gz JYXWNNHGIPMZBN-ZENOOKHLSA-N 0 0 301.386 3.910 10 0 DHAERN COc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2C)cc1OC ZINC000151219845 332563272 /nfs/dbraw/zinc/56/32/72/332563272.db2.gz YHNSJHANTDOXEX-AWEZNQCLSA-N 0 0 313.397 3.812 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(C)ccc1Br ZINC000163752642 332968847 /nfs/dbraw/zinc/96/88/47/332968847.db2.gz UEIJASJWJCQTDH-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC000171748860 333053925 /nfs/dbraw/zinc/05/39/25/333053925.db2.gz NRSLOOQODBFTAR-WDEREUQCSA-N 0 0 319.273 3.622 10 0 DHAERN CSCC[C@@H](NC(=O)[C@@H](C)C(C)C)c1nc2ccccc2[nH]1 ZINC000171976607 333056680 /nfs/dbraw/zinc/05/66/80/333056680.db2.gz VZASBYPEFAXECW-SWLSCSKDSA-N 0 0 319.474 3.765 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1ccc(O)cc1)[C@@H](C)C2 ZINC000181920729 333147534 /nfs/dbraw/zinc/14/75/34/333147534.db2.gz YFZCVWNQNVRVFI-IFXJQAMLSA-N 0 0 324.424 3.776 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182171548 333161724 /nfs/dbraw/zinc/16/17/24/333161724.db2.gz GXEKIBGMUNEMQT-GDBMZVCRSA-N 0 0 306.454 3.863 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1O)[C@@H](C)C2 ZINC000182181546 333177260 /nfs/dbraw/zinc/17/72/60/333177260.db2.gz CICAWVPGYMFFHJ-VBKZILBWSA-N 0 0 309.409 3.683 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCc1ccccc1O)[C@@H](C)C2 ZINC000182181566 333177267 /nfs/dbraw/zinc/17/72/67/333177267.db2.gz CICAWVPGYMFFHJ-XOBRGWDASA-N 0 0 309.409 3.683 10 0 DHAERN C[C@@H](COCc1ccccc1)Nc1ccc(Br)cn1 ZINC000390693733 333315599 /nfs/dbraw/zinc/31/55/99/333315599.db2.gz BSNZNYGSXKKUOI-LBPRGKRZSA-N 0 0 321.218 3.861 10 0 DHAERN Cc1cc(Br)cc(NC(=O)C[C@H](C)C(C)C)c1N ZINC000186544017 335158542 /nfs/dbraw/zinc/15/85/42/335158542.db2.gz OQLSIQQHKYLHGI-VIFPVBQESA-N 0 0 313.239 3.960 10 0 DHAERN COCCC1(CNC(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000093138270 333945154 /nfs/dbraw/zinc/94/51/54/333945154.db2.gz RWJKSPBDIIOWBU-JTQLQIEISA-N 0 0 316.854 3.578 10 0 DHAERN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCS1 ZINC000093155839 334073496 /nfs/dbraw/zinc/07/34/96/334073496.db2.gz AZCALRPDSYYJKA-UWVGGRQHSA-N 0 0 318.895 4.000 10 0 DHAERN COC[C@H](Nc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000188389554 334705547 /nfs/dbraw/zinc/70/55/47/334705547.db2.gz DYIVORRXGXFAPL-AWEZNQCLSA-N 0 0 303.324 3.559 10 0 DHAERN CO[C@H](C)CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000189270561 334889293 /nfs/dbraw/zinc/88/92/93/334889293.db2.gz XOJUWCKINOPKTB-LLVKDONJSA-N 0 0 321.323 3.522 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cnn([C@@H](C)C3CC3)c2)o1 ZINC000189808088 334911305 /nfs/dbraw/zinc/91/13/05/334911305.db2.gz PUCVHAQHYJBUDZ-NEPJUHHUSA-N 0 0 302.378 3.638 10 0 DHAERN CCCCO[C@@H](C)C(=O)N1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000113205758 335212066 /nfs/dbraw/zinc/21/20/66/335212066.db2.gz RRZCFIULMJLYOW-UONOGXRCSA-N 0 0 324.490 3.617 10 0 DHAERN Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3c3ncc[nH]3)cc2c1 ZINC000329384491 335970350 /nfs/dbraw/zinc/97/03/50/335970350.db2.gz RPRHTWDQNVATPK-QGZVFWFLSA-N 0 0 320.396 3.552 10 0 DHAERN CC(C)c1ccc([C@@H](C)Nc2ncccc2S(C)(=O)=O)cc1 ZINC000192055524 336017007 /nfs/dbraw/zinc/01/70/07/336017007.db2.gz BQKXNWFMBWVQGN-CYBMUJFWSA-N 0 0 318.442 3.782 10 0 DHAERN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H]1CCCCS1 ZINC000329658160 336029414 /nfs/dbraw/zinc/02/94/14/336029414.db2.gz NNFBDWNDZUWYJH-MRXNPFEDSA-N 0 0 320.458 3.502 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000167258423 336030317 /nfs/dbraw/zinc/03/03/17/336030317.db2.gz YFCTZELUOCKSPG-KXBFYZLASA-N 0 0 324.424 3.866 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCS1 ZINC000192432608 336032194 /nfs/dbraw/zinc/03/21/94/336032194.db2.gz VIFXZFOUWYBYPQ-WBMJQRKESA-N 0 0 322.449 3.740 10 0 DHAERN c1[nH]nc2c1[C@H](c1nc(CCC3CCCCC3)no1)CCC2 ZINC000333220334 336199997 /nfs/dbraw/zinc/19/99/97/336199997.db2.gz RQVFPJDSIWSOED-CYBMUJFWSA-N 0 0 300.406 3.774 10 0 DHAERN O=C(Nc1ccc2ccoc2c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000333296550 336201312 /nfs/dbraw/zinc/20/13/12/336201312.db2.gz GRZCPLRNDJGCBS-KBXCAEBGSA-N 0 0 314.385 3.592 10 0 DHAERN C[C@@H]1OCCC[C@H]1c1nc(-c2cnccc2C(C)(C)C)no1 ZINC000333903264 336211937 /nfs/dbraw/zinc/21/19/37/336211937.db2.gz ZTNXYUQOWKADOY-NWDGAFQWSA-N 0 0 301.390 3.712 10 0 DHAERN COC[C@@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000103388659 336241376 /nfs/dbraw/zinc/24/13/76/336241376.db2.gz YDYSSNHSXJTWEY-SECBINFHSA-N 0 0 304.217 3.627 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000103392645 336241500 /nfs/dbraw/zinc/24/15/00/336241500.db2.gz SNNNLUVANBDWPJ-BXUZGUMPSA-N 0 0 317.351 3.801 10 0 DHAERN Cc1cc(F)c(Br)cc1N[C@H]1CCOC[C@@H]1C ZINC000192867497 336276055 /nfs/dbraw/zinc/27/60/55/336276055.db2.gz IWOYDAJKADMFNI-CABZTGNLSA-N 0 0 302.187 3.734 10 0 DHAERN C[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192941522 336285518 /nfs/dbraw/zinc/28/55/18/336285518.db2.gz KPYPZSUCPFUKHB-CHWSQXEVSA-N 0 0 321.417 3.641 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2ccc(C)cc21 ZINC000301212368 336295162 /nfs/dbraw/zinc/29/51/62/336295162.db2.gz VJGPLRXAGHVKLV-KRWDZBQOSA-N 0 0 321.428 3.630 10 0 DHAERN O=c1[nH]c(NCC2(c3ccccc3F)CC2)nc2ccccc21 ZINC000301261483 336297335 /nfs/dbraw/zinc/29/73/35/336297335.db2.gz GHRKBEPMFAHCEV-UHFFFAOYSA-N 0 0 309.344 3.618 10 0 DHAERN CSC[C@H](C)N(C)c1ncnc2sc3c(c21)CCCC3 ZINC000301337089 336301244 /nfs/dbraw/zinc/30/12/44/336301244.db2.gz ONAFGZCDEAJPDX-JTQLQIEISA-N 0 0 307.488 3.758 10 0 DHAERN CC(C)(C)c1cn2nc(NCc3ccc(O)c(F)c3)sc2n1 ZINC000301336183 336301292 /nfs/dbraw/zinc/30/12/92/336301292.db2.gz CHQKMHZBLGLZKF-UHFFFAOYSA-N 0 0 320.393 3.545 10 0 DHAERN CN(c1ncnc2c3ccccc3oc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301379235 336303557 /nfs/dbraw/zinc/30/35/57/336303557.db2.gz XOTWJDDGFXFCEO-CSMYWGQOSA-N 0 0 323.396 3.626 10 0 DHAERN c1ccc([C@H]2OCC[C@H]2CNc2ncnc3ccccc32)cc1 ZINC000301398385 336304431 /nfs/dbraw/zinc/30/44/31/336304431.db2.gz AODGWVQBWLJUIN-MAUKXSAKSA-N 0 0 305.381 3.820 10 0 DHAERN Fc1ccc([C@@H]2CCC[C@H]2Nc2ccc3nccnc3n2)cc1 ZINC000301400325 336304566 /nfs/dbraw/zinc/30/45/66/336304566.db2.gz BQDWDVIIEQFHLO-LSDHHAIUSA-N 0 0 308.360 3.912 10 0 DHAERN CCS[C@H]1CC[C@]1(O)CNc1cc2ccccc2c(Cl)n1 ZINC000301489573 336310009 /nfs/dbraw/zinc/31/00/09/336310009.db2.gz LIPGTUUFYBPDJO-BBRMVZONSA-N 0 0 322.861 3.947 10 0 DHAERN C[C@]1(CNc2ccc(-c3ccc(F)cc3)nn2)CCCC[C@@H]1O ZINC000301502978 336310878 /nfs/dbraw/zinc/31/08/78/336310878.db2.gz YEFNHAZCUCJFHJ-FUHWJXTLSA-N 0 0 315.392 3.636 10 0 DHAERN Cc1noc(-c2ccnc(N(Cc3ccccc3)C3CC3)c2)n1 ZINC000301503134 336310943 /nfs/dbraw/zinc/31/09/43/336310943.db2.gz FUZOPBXRERCNEL-UHFFFAOYSA-N 0 0 306.369 3.609 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000301593926 336317100 /nfs/dbraw/zinc/31/71/00/336317100.db2.gz YGDAQHHHFGZVLJ-HJTOQOCKSA-N 0 0 320.380 3.592 10 0 DHAERN Cc1ccn(-c2ccc(N[C@@H](C)c3ccc(C)c(F)c3)nn2)n1 ZINC000301602938 336317759 /nfs/dbraw/zinc/31/77/59/336317759.db2.gz KRBYNWVVQNSGMM-ZDUSSCGKSA-N 0 0 311.364 3.591 10 0 DHAERN COCc1nc(C)cc(NC[C@@H]2C[C@]23CCCc2ccccc23)n1 ZINC000301664184 336321738 /nfs/dbraw/zinc/32/17/38/336321738.db2.gz VWLOBCARIBXRJX-OXJNMPFZSA-N 0 0 323.440 3.638 10 0 DHAERN CCc1nsc(N[C@H](CCOC)c2ccc(Cl)cc2)n1 ZINC000301671559 336322398 /nfs/dbraw/zinc/32/23/98/336322398.db2.gz ZBKUWPJGLNEUSI-GFCCVEGCSA-N 0 0 311.838 3.944 10 0 DHAERN Cc1cccc2c(NCCCOC3CCOCC3)cc[nH+]c12 ZINC000301676615 336322821 /nfs/dbraw/zinc/32/28/21/336322821.db2.gz QFXNJVUTHFIECF-UHFFFAOYSA-N 0 0 300.402 3.541 10 0 DHAERN Clc1cccc(-c2noc(N[C@@H]3CCC[C@H]4OCC[C@H]43)n2)c1 ZINC000301682894 336323303 /nfs/dbraw/zinc/32/33/03/336323303.db2.gz VVLUWOPRNWDVRA-BFHYXJOUSA-N 0 0 319.792 3.760 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2ncnc3sc4c(c32)CCC4)C1 ZINC000301759597 336328101 /nfs/dbraw/zinc/32/81/01/336328101.db2.gz FPNJCIZHTZODNW-GHMZBOCLSA-N 0 0 303.431 3.550 10 0 DHAERN CCc1nc2sccc2c(N2CC[C@@H](OCCC(C)C)C2)n1 ZINC000301821108 336332240 /nfs/dbraw/zinc/33/22/40/336332240.db2.gz BIUKBGMQQLLFQE-CYBMUJFWSA-N 0 0 319.474 3.895 10 0 DHAERN CC(C)(C)[C@@H](O)CNc1cncc(SCc2ccccc2)n1 ZINC000301839892 336333327 /nfs/dbraw/zinc/33/33/27/336333327.db2.gz ZZEGZZSWZDOWKL-AWEZNQCLSA-N 0 0 317.458 3.588 10 0 DHAERN C[C@H](Nc1cncc(Cl)n1)c1cnn(Cc2ccccc2)c1 ZINC000301844377 336333700 /nfs/dbraw/zinc/33/37/00/336333700.db2.gz LNFKVTXTHXAEHZ-LBPRGKRZSA-N 0 0 313.792 3.548 10 0 DHAERN Oc1ccc(CNc2nc3ccccc3[nH]2)cc1Br ZINC000301869581 336335273 /nfs/dbraw/zinc/33/52/73/336335273.db2.gz IJQMUIRYOGDYMO-UHFFFAOYSA-N 0 0 318.174 3.643 10 0 DHAERN CC(C)COc1ncc(CNc2nc(C(C)C)no2)cc1Cl ZINC000301916869 336337994 /nfs/dbraw/zinc/33/79/94/336337994.db2.gz HIEUVPSEDGSMID-UHFFFAOYSA-N 0 0 324.812 3.888 10 0 DHAERN CC(C)(C)Oc1cc(CNc2ccnc(C(C)(C)C)n2)ccn1 ZINC000301927680 336338496 /nfs/dbraw/zinc/33/84/96/336338496.db2.gz MLNGCLPNFCYQBI-UHFFFAOYSA-N 0 0 314.433 3.959 10 0 DHAERN COC(=O)c1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)nc1C ZINC000301937468 336338985 /nfs/dbraw/zinc/33/89/85/336338985.db2.gz RWNBKZLHEGOPEN-QWRGUYRKSA-N 0 0 316.323 3.710 10 0 DHAERN C[C@@H]1CN(c2ncnc3ccc(F)cc32)[C@@H](c2ccccc2)CO1 ZINC000301945828 336339316 /nfs/dbraw/zinc/33/93/16/336339316.db2.gz BKCCCTRIDSXZHC-FZKQIMNGSA-N 0 0 323.371 3.735 10 0 DHAERN CCc1ncnc(N(CCC(F)(F)F)C2CCCC2)c1F ZINC000301949959 336339491 /nfs/dbraw/zinc/33/94/91/336339491.db2.gz IMSJQPMBUKIPOK-UHFFFAOYSA-N 0 0 305.319 3.880 10 0 DHAERN CC(C)Nc1cccc(CNc2ccc(C(F)(F)F)nn2)c1 ZINC000301951880 336339566 /nfs/dbraw/zinc/33/95/66/336339566.db2.gz JDHHTKSQMIBULR-UHFFFAOYSA-N 0 0 310.323 3.928 10 0 DHAERN C[C@H](Nc1nnc(-c2ccccc2Cl)s1)[C@H]1CCCO1 ZINC000302158216 336351393 /nfs/dbraw/zinc/35/13/93/336351393.db2.gz NQRCDGFDMGKFLU-JOYOIKCWSA-N 0 0 309.822 3.838 10 0 DHAERN Cc1cncc(N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000302218868 336354587 /nfs/dbraw/zinc/35/45/87/336354587.db2.gz LFSOPQSXAWUWMD-CYBMUJFWSA-N 0 0 304.191 3.647 10 0 DHAERN CC(C)Oc1cncc(N[C@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000302260258 336356349 /nfs/dbraw/zinc/35/63/49/336356349.db2.gz CGRCIVPOEBYFHN-CQSZACIVSA-N 0 0 323.400 3.623 10 0 DHAERN Cc1csc2nc(C)nc(N3CC[C@H](OCCC(C)C)C3)c12 ZINC000302275783 336356662 /nfs/dbraw/zinc/35/66/62/336356662.db2.gz INAXMVIJTZOPNO-AWEZNQCLSA-N 0 0 319.474 3.950 10 0 DHAERN CCN(C[C@@H](O)c1ccc(C)cc1)c1nc(C(C)(C)C)ns1 ZINC000302396473 336358125 /nfs/dbraw/zinc/35/81/25/336358125.db2.gz FCHIBLJKPJCWTC-CQSZACIVSA-N 0 0 319.474 3.704 10 0 DHAERN FC(F)(F)Oc1ccc(N[C@@H](c2nccs2)C2CC2)nc1 ZINC000302605714 336362425 /nfs/dbraw/zinc/36/24/25/336362425.db2.gz ZTLOBAFGTOSBBQ-LLVKDONJSA-N 0 0 315.320 4.000 10 0 DHAERN CC1(C)CN(c2ccnc3c(F)cc(F)cc23)CC(C)(C)O1 ZINC000302641203 336363287 /nfs/dbraw/zinc/36/32/87/336363287.db2.gz IGYRLMIOLDJHGU-UHFFFAOYSA-N 0 0 306.356 3.907 10 0 DHAERN CCc1csc([C@@H]2CCCN(c3ncncc3Cl)C2)n1 ZINC000302672092 336364199 /nfs/dbraw/zinc/36/41/99/336364199.db2.gz RXCJWIAUBSCVGM-SNVBAGLBSA-N 0 0 308.838 3.533 10 0 DHAERN FC(F)(F)c1cnc(N[C@H]2CCN(c3ccccc3)C2)s1 ZINC000302776496 336368530 /nfs/dbraw/zinc/36/85/30/336368530.db2.gz OWXZVCBVBQZCPH-JTQLQIEISA-N 0 0 313.348 3.853 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1nc(-c2ccccc2)ns1 ZINC000302826981 336370892 /nfs/dbraw/zinc/37/08/92/336370892.db2.gz NFIKGWATQPJKRO-KRWDZBQOSA-N 0 0 317.458 3.991 10 0 DHAERN CN1CC[C@H](CNc2ncnc3c(F)cccc23)c2ccccc21 ZINC000302919013 336374219 /nfs/dbraw/zinc/37/42/19/336374219.db2.gz YEQXSPYSCVRNOB-CYBMUJFWSA-N 0 0 322.387 3.805 10 0 DHAERN Fc1cccc2c1ncnc2N1CCCC[C@H]1c1nccs1 ZINC000302918454 336374329 /nfs/dbraw/zinc/37/43/29/336374329.db2.gz XSNUURVAUKVKPM-ZDUSSCGKSA-N 0 0 314.389 3.957 10 0 DHAERN Cc1ccc2cccc(NC(=O)N[C@H]3COc4ccccc43)c2n1 ZINC000114579402 336606937 /nfs/dbraw/zinc/60/69/37/336606937.db2.gz COIKYKQWHWMHFQ-INIZCTEOSA-N 0 0 319.364 3.798 10 0 DHAERN CCc1noc([C@@H](C)N[C@@H](C)c2cccc(Br)c2)n1 ZINC000114746916 336670592 /nfs/dbraw/zinc/67/05/92/336670592.db2.gz OHHDCOYTFDUCBR-VHSXEESVSA-N 0 0 324.222 3.806 10 0 DHAERN CCn1ccnc1CNc1ccc(Br)c(C)c1F ZINC000193310062 336694374 /nfs/dbraw/zinc/69/43/74/336694374.db2.gz YLDOWRLDPJAPBX-UHFFFAOYSA-N 0 0 312.186 3.725 10 0 DHAERN O=C(N[C@H]1CCc2cc(F)ccc21)N1CCC[C@H]1c1ccco1 ZINC000116424074 336840285 /nfs/dbraw/zinc/84/02/85/336840285.db2.gz MKUWROMYIDZTJV-HOTGVXAUSA-N 0 0 314.360 3.953 10 0 DHAERN CCOc1cccc(CNC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116419551 336840315 /nfs/dbraw/zinc/84/03/15/336840315.db2.gz HKPZAPWTHHFGGK-MRXNPFEDSA-N 0 0 314.385 3.725 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC(=O)Nc2ccccc21 ZINC000121147988 336932045 /nfs/dbraw/zinc/93/20/45/336932045.db2.gz UGUAVUIKEDVQOI-HUUCEWRRSA-N 0 0 312.413 3.578 10 0 DHAERN CCC[C@@]1(COC)CCCN1C(=O)N[C@@H](C)c1cccs1 ZINC000193452581 336933620 /nfs/dbraw/zinc/93/36/20/336933620.db2.gz PHBBCWKVZWNVQY-BBRMVZONSA-N 0 0 310.463 3.800 10 0 DHAERN CCC[C@@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)C(C)C ZINC000121913949 336986451 /nfs/dbraw/zinc/98/64/51/336986451.db2.gz MHSASRQUWYZBKF-HZPDHXFCSA-N 0 0 305.466 3.773 10 0 DHAERN CC(=O)Oc1ccc(CN2CCCC[C@H]2c2nccs2)cc1 ZINC000123019093 337034115 /nfs/dbraw/zinc/03/41/15/337034115.db2.gz MKLUPDPVIRSKSJ-INIZCTEOSA-N 0 0 316.426 3.796 10 0 DHAERN O=C(Nc1cccc(OCCF)c1)N1CCC[C@H]1c1ccco1 ZINC000123058162 337034941 /nfs/dbraw/zinc/03/49/41/337034941.db2.gz IEBDRPNAWNEURG-HNNXBMFYSA-N 0 0 318.348 3.997 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000026243109 337050393 /nfs/dbraw/zinc/05/03/93/337050393.db2.gz SQMORHGUVPWTMG-WCQYABFASA-N 0 0 302.399 3.632 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)CCOc2ccc(Cl)cc2)cs1 ZINC000170497171 337083319 /nfs/dbraw/zinc/08/33/19/337083319.db2.gz AIBIQIKHLNJKNJ-SNVBAGLBSA-N 0 0 324.833 3.751 10 0 DHAERN O=C(Nc1cc(F)ccc1Cl)N[C@@H]1COc2ccccc21 ZINC000171227383 337086026 /nfs/dbraw/zinc/08/60/26/337086026.db2.gz AOSGKUNDLHNUAL-CYBMUJFWSA-N 0 0 306.724 3.734 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccc(Cl)c2F)cn1 ZINC000171508509 337087616 /nfs/dbraw/zinc/08/76/16/337087616.db2.gz KOONPBVZPUPJCI-CYBMUJFWSA-N 0 0 322.771 3.582 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(C(F)F)c1 ZINC000171523487 337087813 /nfs/dbraw/zinc/08/78/13/337087813.db2.gz KMDCLUMXJMBOSP-CQSZACIVSA-N 0 0 303.308 3.878 10 0 DHAERN O=C(Nc1cc(F)c(F)cc1F)N[C@H]1CCOc2ccccc21 ZINC000171557713 337088107 /nfs/dbraw/zinc/08/81/07/337088107.db2.gz MZKSEKSAQURZFZ-ZDUSSCGKSA-N 0 0 322.286 3.749 10 0 DHAERN O=C(NCCc1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000172100926 337089812 /nfs/dbraw/zinc/08/98/12/337089812.db2.gz HLJOPTSTLGPEEV-OAHLLOKOSA-N 0 0 302.349 3.508 10 0 DHAERN CC(C)n1ccnc1CN1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000171966781 337090480 /nfs/dbraw/zinc/09/04/80/337090480.db2.gz PSRXYSYFRHLEQB-JTDSTZFVSA-N 0 0 313.445 3.815 10 0 DHAERN CCCCSCCC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 ZINC000172360679 337129068 /nfs/dbraw/zinc/12/90/68/337129068.db2.gz KJMGBDKZWDHNDE-CYBMUJFWSA-N 0 0 323.458 3.558 10 0 DHAERN Cc1cccc2c(CC(=O)N[C@H]3CCOc4ccccc43)c[nH]c21 ZINC000172708033 337130440 /nfs/dbraw/zinc/13/04/40/337130440.db2.gz JZPZLRGDRJXQKD-KRWDZBQOSA-N 0 0 320.392 3.659 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000173057615 337133427 /nfs/dbraw/zinc/13/34/27/337133427.db2.gz AOOPWTHDPZDTAI-GDBMZVCRSA-N 0 0 321.465 3.766 10 0 DHAERN COc1ccsc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173426580 337135238 /nfs/dbraw/zinc/13/52/38/337135238.db2.gz MRJYKLOFXWHZOE-NSHDSACASA-N 0 0 322.455 3.541 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2cc(C)nn2C)o1 ZINC000173648828 337137131 /nfs/dbraw/zinc/13/71/31/337137131.db2.gz QEEJLDHHGMAKPS-AWEZNQCLSA-N 0 0 316.405 3.643 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c(C)o1 ZINC000173944313 337137752 /nfs/dbraw/zinc/13/77/52/337137752.db2.gz WSAVSRDEFVVAHH-ZDUSSCGKSA-N 0 0 309.369 3.573 10 0 DHAERN CC(C)CO[C@@H](C)c1noc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000173895190 337138844 /nfs/dbraw/zinc/13/88/44/337138844.db2.gz KBYHNHAAOYAOLQ-UONOGXRCSA-N 0 0 319.405 3.733 10 0 DHAERN CCc1ccc([C@H]2C[C@H](C)CCN2Cc2nnc(CC)n2C)o1 ZINC000174447377 337142014 /nfs/dbraw/zinc/14/20/14/337142014.db2.gz KDGQPDOWEMUJNB-UKRRQHHQSA-N 0 0 316.449 3.506 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]cnc3c2)o1 ZINC000175606466 337148400 /nfs/dbraw/zinc/14/84/00/337148400.db2.gz RVELAHMTZLLAIY-INIZCTEOSA-N 0 0 309.369 3.832 10 0 DHAERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccc(C)o2)s1 ZINC000175979996 337149995 /nfs/dbraw/zinc/14/99/95/337149995.db2.gz LFKFATBCJIVWNZ-GXSJLCMTSA-N 0 0 308.403 3.551 10 0 DHAERN Cc1ccc(/C=C/CC(=O)N2CCC(c3ccnn3C)CC2)cc1 ZINC000176656239 337152589 /nfs/dbraw/zinc/15/25/89/337152589.db2.gz SQSAHPVKWVNGMF-ONEGZZNKSA-N 0 0 323.440 3.538 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000176690780 337152730 /nfs/dbraw/zinc/15/27/30/337152730.db2.gz PUVOYZSVSDGNHJ-JUGMSXHOSA-N 0 0 323.440 3.594 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(OC)cs2)C12CCCC2 ZINC000176892046 337153492 /nfs/dbraw/zinc/15/34/92/337153492.db2.gz FNNJIEUZGDQEEL-LSDHHAIUSA-N 0 0 323.458 3.567 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cscc3C)C2)n1 ZINC000176945520 337153912 /nfs/dbraw/zinc/15/39/12/337153912.db2.gz JWHDNKDTKUTDIM-GFCCVEGCSA-N 0 0 306.456 3.841 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCCC2CCCC2)no1 ZINC000177404939 337155825 /nfs/dbraw/zinc/15/58/25/337155825.db2.gz NRNBOSHQYJCXEL-CQSZACIVSA-N 0 0 320.437 3.620 10 0 DHAERN C[C@H](N[C@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461308 337156100 /nfs/dbraw/zinc/15/61/00/337156100.db2.gz BHMKCNFXGQYMGL-YOEHRIQHSA-N 0 0 310.445 3.733 10 0 DHAERN CCC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177557964 337157765 /nfs/dbraw/zinc/15/77/65/337157765.db2.gz NWTYQZMBNPWUIW-JKSUJKDBSA-N 0 0 318.465 3.616 10 0 DHAERN Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)c1cccs1 ZINC000178207977 337161409 /nfs/dbraw/zinc/16/14/09/337161409.db2.gz ZTVDOYXMOKXKCT-SNVBAGLBSA-N 0 0 313.382 3.598 10 0 DHAERN CN(Cc1ccc([S@](C)=O)cc1)Cc1ccc2ccccc2n1 ZINC000178409046 337164434 /nfs/dbraw/zinc/16/44/34/337164434.db2.gz JUDXRVILINPKAU-QHCPKHFHSA-N 0 0 324.449 3.604 10 0 DHAERN Cc1cnc([C@@H](C)NCc2csc(Br)c2)o1 ZINC000220907328 337167080 /nfs/dbraw/zinc/16/70/80/337167080.db2.gz CNTGQWJTTZVXLX-MRVPVSSYSA-N 0 0 301.209 3.658 10 0 DHAERN CCC[C@@H](C(=O)N1CCC[C@@H](n2ccnc2CC)C1)C(C)C ZINC000179409904 337167725 /nfs/dbraw/zinc/16/77/25/337167725.db2.gz DOTVUEKDQCVAEH-HZPDHXFCSA-N 0 0 305.466 3.681 10 0 DHAERN O=C(Nc1ncccc1Cl)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000179960041 337172792 /nfs/dbraw/zinc/17/27/92/337172792.db2.gz PONRIQJVVINWIT-UWVGGRQHSA-N 0 0 308.715 3.755 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1csc(C)c1C ZINC000180062729 337173401 /nfs/dbraw/zinc/17/34/01/337173401.db2.gz QUQPRSQNSPRBHN-OAHLLOKOSA-N 0 0 317.458 3.693 10 0 DHAERN C[C@H](NCc1nc2ccccc2o1)c1cccc(-n2ccnc2)c1 ZINC000180656179 337177069 /nfs/dbraw/zinc/17/70/69/337177069.db2.gz DBGOHYMEOVNYFU-AWEZNQCLSA-N 0 0 318.380 3.864 10 0 DHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657034 337177165 /nfs/dbraw/zinc/17/71/65/337177165.db2.gz KDYGNXJUIZHJNJ-WFASDCNBSA-N 0 0 302.397 3.555 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000180940647 337178810 /nfs/dbraw/zinc/17/88/10/337178810.db2.gz CMUINHQLFWZHQD-KRWDZBQOSA-N 0 0 305.466 3.728 10 0 DHAERN Cc1c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000181106658 337179892 /nfs/dbraw/zinc/17/98/92/337179892.db2.gz OALAHMFUGNISEY-ACJLOTCBSA-N 0 0 311.429 3.744 10 0 DHAERN CCc1nc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cs1 ZINC000181257088 337180779 /nfs/dbraw/zinc/18/07/79/337180779.db2.gz RHHBKEMWKGOGKC-SGTLLEGYSA-N 0 0 314.454 3.606 10 0 DHAERN Cc1ccc2c(c1)[C@@H](Nc1cnn(Cc3ccncc3)c1)[C@H](C)C2 ZINC000181166802 337182126 /nfs/dbraw/zinc/18/21/26/337182126.db2.gz QENBJPNLMSJUNP-QRWLVFNGSA-N 0 0 318.424 3.980 10 0 DHAERN Cc1ccc2c(c1)[C@H](Nc1cnn(Cc3ccncc3)c1)[C@H](C)C2 ZINC000181166776 337182188 /nfs/dbraw/zinc/18/21/88/337182188.db2.gz QENBJPNLMSJUNP-FOIQADDNSA-N 0 0 318.424 3.980 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2csnc2C)o1 ZINC000182064310 337186078 /nfs/dbraw/zinc/18/60/78/337186078.db2.gz OIMFFAWKGLPQJB-AWEZNQCLSA-N 0 0 304.415 3.974 10 0 DHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000182066557 337186097 /nfs/dbraw/zinc/18/60/97/337186097.db2.gz VRJCVCATAFAOJI-SAPNQHFASA-N 0 0 323.440 3.534 10 0 DHAERN CSCCCCCCNC(=O)N[C@H]1CCOc2ccccc21 ZINC000182235456 337187560 /nfs/dbraw/zinc/18/75/60/337187560.db2.gz ZYDPAEDBSOIQEG-HNNXBMFYSA-N 0 0 322.474 3.733 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC(C)(C)C1 ZINC000183036259 337191088 /nfs/dbraw/zinc/19/10/88/337191088.db2.gz OJWWSDJXZPWGIL-MNOVXSKESA-N 0 0 322.836 3.840 10 0 DHAERN COC[C@@H](C)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000183966039 337194153 /nfs/dbraw/zinc/19/41/53/337194153.db2.gz CAZVQMJOSFRHSV-CQSZACIVSA-N 0 0 315.413 3.526 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3C[C@H](C)C[C@@H](C)C3)CC2)cn1 ZINC000183884658 337195187 /nfs/dbraw/zinc/19/51/87/337195187.db2.gz AGURQJVJBXLZEN-HUUCEWRRSA-N 0 0 317.477 3.681 10 0 DHAERN Cc1cnc([C@H](C)CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000184060320 337196991 /nfs/dbraw/zinc/19/69/91/337196991.db2.gz RVWAEIFCQDIEAM-KCPJHIHWSA-N 0 0 306.475 3.888 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2cccc(C)c2Br)o1 ZINC000226616561 337199968 /nfs/dbraw/zinc/19/99/68/337199968.db2.gz CZWQCKGHNXPYAD-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN Cc1nnc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000185366603 337204444 /nfs/dbraw/zinc/20/44/44/337204444.db2.gz CDBMSFCAFURARX-SNVBAGLBSA-N 0 0 303.431 3.635 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(C)cc2Br)o1 ZINC000227556241 337249390 /nfs/dbraw/zinc/24/93/90/337249390.db2.gz CLPPDMDEQZYOND-NSHDSACASA-N 0 0 309.207 3.905 10 0 DHAERN Cc1cc2occ(C(=O)N3CCC(c4cc[nH]n4)CC3)c2cc1C ZINC000185800633 337251367 /nfs/dbraw/zinc/25/13/67/337251367.db2.gz VMAHCNDLOXNCFP-UHFFFAOYSA-N 0 0 323.396 3.793 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CCC[C@@H]3C)C2)n1 ZINC000185964999 337253433 /nfs/dbraw/zinc/25/34/33/337253433.db2.gz RWQWZEJLCWWVTL-AEGPPILISA-N 0 0 306.475 3.984 10 0 DHAERN Cc1ccc(C)c2c1CCC[C@H]2N[C@@H](C)c1nnc2n1CCCC2 ZINC000186180550 337254141 /nfs/dbraw/zinc/25/41/41/337254141.db2.gz SGOCWYUSUWQBFC-DOTOQJQBSA-N 0 0 324.472 3.959 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000189503115 337279995 /nfs/dbraw/zinc/27/99/95/337279995.db2.gz AFQYWEYGWBKBPM-UYAOXDASSA-N 0 0 313.441 3.721 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000189503179 337280076 /nfs/dbraw/zinc/28/00/76/337280076.db2.gz AFQYWEYGWBKBPM-ICSRJNTNSA-N 0 0 313.441 3.721 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2sc(CC3CC3)nc2C)o1 ZINC000189789156 337282052 /nfs/dbraw/zinc/28/20/52/337282052.db2.gz YAZJHDIEXSLXHR-SNVBAGLBSA-N 0 0 304.415 3.796 10 0 DHAERN C[C@H]1CCSCCN1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000189732994 337282417 /nfs/dbraw/zinc/28/24/17/337282417.db2.gz YPFXIIYMHAJAAV-BLLLJJGKSA-N 0 0 322.449 3.740 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2Br)O1 ZINC000190093422 337284538 /nfs/dbraw/zinc/28/45/38/337284538.db2.gz HRCYYLVWSKZICJ-GMSGAONNSA-N 0 0 318.598 3.609 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000191164820 337292639 /nfs/dbraw/zinc/29/26/39/337292639.db2.gz AGKZXCKJACMGPC-KURKYZTESA-N 0 0 305.462 3.620 10 0 DHAERN CC(C)Oc1ncccc1NC(=O)N[C@@H](C)c1cccs1 ZINC000193188837 337309908 /nfs/dbraw/zinc/30/99/08/337309908.db2.gz HQAGDSDOUYPCQM-NSHDSACASA-N 0 0 305.403 3.813 10 0 DHAERN Cc1ccc(C(=O)N(C)c2nnc(-c3ccccc3)s2)cc1 ZINC000000540061 337368117 /nfs/dbraw/zinc/36/81/17/337368117.db2.gz SPTWRTOQSJMWJT-UHFFFAOYSA-N 0 0 309.394 3.790 10 0 DHAERN COP(=O)(OC)C(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000584602483 337371045 /nfs/dbraw/zinc/37/10/45/337371045.db2.gz JHSTTXIIMNNLIH-QMMMGPOBSA-N 0 0 321.107 3.565 10 0 DHAERN c1[nH]nc2c1ncnc2Oc1ccc(Oc2ccccc2)cc1 ZINC000584619904 337371415 /nfs/dbraw/zinc/37/14/15/337371415.db2.gz UQKJPWCGYSZBEI-UHFFFAOYSA-N 0 0 304.309 3.938 10 0 DHAERN CC(C)=CCOCc1ccccc1I ZINC000584619992 337371673 /nfs/dbraw/zinc/37/16/73/337371673.db2.gz JOEJHTSUJXIWON-UHFFFAOYSA-N 0 0 302.155 3.774 10 0 DHAERN CCNCC1=N[C@@H](c2ccc(-c3ccccc3)cc2)N(CC)O1 ZINC000584614120 337372534 /nfs/dbraw/zinc/37/25/34/337372534.db2.gz QQGJXXCXZPEWNC-LJQANCHMSA-N 0 0 309.413 3.627 10 0 DHAERN CCCC[C@@H](CC)NC(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000584613223 337372609 /nfs/dbraw/zinc/37/26/09/337372609.db2.gz QJRIVVKIQILFSF-CQSZACIVSA-N 0 0 313.401 3.548 10 0 DHAERN O=c1c(O)c(-c2ccc(Br)s2)oc2ccccc12 ZINC000584623343 337375169 /nfs/dbraw/zinc/37/51/69/337375169.db2.gz JDTCPOTWWXDHRX-UHFFFAOYSA-N 0 0 323.167 3.990 10 0 DHAERN FC(F)(F)c1cc(C(F)(F)F)c2ccc3nccn3c2n1 ZINC000584623203 337375192 /nfs/dbraw/zinc/37/51/92/337375192.db2.gz RUVSHRCXGAMMOU-UHFFFAOYSA-N 0 0 305.181 3.920 10 0 DHAERN CC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F ZINC000584623889 337375229 /nfs/dbraw/zinc/37/52/29/337375229.db2.gz BWZCYXMGMIRUEN-QMMMGPOBSA-N 0 0 313.102 3.873 10 0 DHAERN CN1c2cc(-c3cnc(-c4cccnc4)o3)ccc2C(C)(C)C1=O ZINC000584625310 337375403 /nfs/dbraw/zinc/37/54/03/337375403.db2.gz AJVGTRNBFDMLOZ-UHFFFAOYSA-N 0 0 319.364 3.658 10 0 DHAERN CCOC(=O)c1cccc(-c2cc(Br)ccc2F)n1 ZINC000584629548 337376615 /nfs/dbraw/zinc/37/66/15/337376615.db2.gz KADFDFRFEUWFSA-UHFFFAOYSA-N 0 0 324.149 3.827 10 0 DHAERN Cc1ccc(N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(N)c1 ZINC000584654349 337377749 /nfs/dbraw/zinc/37/77/49/337377749.db2.gz BPRFHNSTNWWLKQ-AWEZNQCLSA-N 0 0 319.449 3.779 10 0 DHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000584637614 337379513 /nfs/dbraw/zinc/37/95/13/337379513.db2.gz PAQMLKWLUJRPOA-WSIJOFGPSA-N 0 0 320.473 3.932 10 0 DHAERN C[C@@H]1CC2(Cc3ccc(Br)cc3C2=O)C[C@@H](C)C1O ZINC000584641284 337380118 /nfs/dbraw/zinc/38/01/18/337380118.db2.gz DCJMZPCUBKRAFJ-HEDKAWBYSA-N 0 0 323.230 3.601 10 0 DHAERN CCc1cc(OC)ccc1C[C@@H](CCO)c1ccc(OC)cc1 ZINC000584652782 337381194 /nfs/dbraw/zinc/38/11/94/337381194.db2.gz XZQLTZCZUIODAT-GOSISDBHSA-N 0 0 314.425 3.975 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3csc(C(C)C)n3)C2)c1 ZINC000105901353 337386854 /nfs/dbraw/zinc/38/68/54/337386854.db2.gz OZIXCFZVWJSORJ-OAHLLOKOSA-N 0 0 304.463 3.609 10 0 DHAERN O=C(c1cccc(-n2cccc2)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113888138 337391333 /nfs/dbraw/zinc/39/13/33/337391333.db2.gz SSZSVKYRFYKPLV-GOSISDBHSA-N 0 0 320.396 3.568 10 0 DHAERN Cc1nn(C)c2sc(C(=O)N3CCC[C@H]3c3ccco3)cc12 ZINC000116043149 337392255 /nfs/dbraw/zinc/39/22/55/337392255.db2.gz VCSLHTLUXJFXEH-LBPRGKRZSA-N 0 0 315.398 3.514 10 0 DHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3ccco3)c21 ZINC000116048500 337392261 /nfs/dbraw/zinc/39/22/61/337392261.db2.gz MFPQBIWGNCMRDK-MRXNPFEDSA-N 0 0 308.381 3.976 10 0 DHAERN O=C(c1coc(Br)c1)N1CCC[C@@H]1c1ccco1 ZINC000116041841 337392305 /nfs/dbraw/zinc/39/23/05/337392305.db2.gz FYHSNWIJXKTCNR-SNVBAGLBSA-N 0 0 310.147 3.612 10 0 DHAERN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1ccco1 ZINC000116212054 337392506 /nfs/dbraw/zinc/39/25/06/337392506.db2.gz ZVPXDTMXXALPCP-MRXNPFEDSA-N 0 0 323.396 3.842 10 0 DHAERN COCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116484536 337392636 /nfs/dbraw/zinc/39/26/36/337392636.db2.gz JRHUXHCSLOZTBB-OAHLLOKOSA-N 0 0 300.358 3.795 10 0 DHAERN c1coc([C@@H]2CCCN2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404398 337392696 /nfs/dbraw/zinc/39/26/96/337392696.db2.gz MLIQCEWXPPMHGX-LBPRGKRZSA-N 0 0 301.371 3.728 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC(c2nncn2CC)CC1 ZINC000117254556 337393330 /nfs/dbraw/zinc/39/33/30/337393330.db2.gz HLKTWXCXVUQKCF-HNNXBMFYSA-N 0 0 320.481 3.611 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@H](C)O1 ZINC000043906896 337394148 /nfs/dbraw/zinc/39/41/48/337394148.db2.gz BKAWIIQMNHZYQN-STQMWFEESA-N 0 0 310.397 3.580 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC000119341582 337394717 /nfs/dbraw/zinc/39/47/17/337394717.db2.gz SZUXHKKITRRUDV-INIZCTEOSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccncc3C)C2)n1 ZINC000121859496 337396546 /nfs/dbraw/zinc/39/65/46/337396546.db2.gz OCHXIGLEJMUEKK-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN O=C(c1c(F)cccc1Cl)N1CCC(c2nccs2)CC1 ZINC000040623475 337398644 /nfs/dbraw/zinc/39/86/44/337398644.db2.gz QXMVYLKODHFTRV-UHFFFAOYSA-N 0 0 324.808 3.955 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Cc2cccc(Br)c2)o1 ZINC000123986454 337402758 /nfs/dbraw/zinc/40/27/58/337402758.db2.gz JHOZJZXDMAKTRE-LLVKDONJSA-N 0 0 322.202 3.770 10 0 DHAERN CCCCS[C@H](C)C(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000124054576 337403317 /nfs/dbraw/zinc/40/33/17/337403317.db2.gz SSIXSGPYHLNSKI-CQSZACIVSA-N 0 0 323.506 3.531 10 0 DHAERN CCOc1cccc2cc([C@H](C)NC(=O)[C@@H]3CC[C@H](C)O3)oc21 ZINC000124270949 337404523 /nfs/dbraw/zinc/40/45/23/337404523.db2.gz VHKFFYMHUHZVTK-HUBLWGQQSA-N 0 0 317.385 3.576 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)N(Cc1ccccc1)C1CC1 ZINC000043164872 337409920 /nfs/dbraw/zinc/40/99/20/337409920.db2.gz RNKVWXWYBDAXIN-GOSISDBHSA-N 0 0 322.408 3.884 10 0 DHAERN CN(C(=O)N[C@@H]1CCOc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000043165020 337409927 /nfs/dbraw/zinc/40/99/27/337409927.db2.gz XEBAWUFDLLSJEU-QZTJIDSGSA-N 0 0 322.408 3.839 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)O1 ZINC000125224945 337410027 /nfs/dbraw/zinc/41/00/27/337410027.db2.gz KPCMSBZZDOLHHW-SJKOYZFVSA-N 0 0 321.380 3.736 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)O1 ZINC000127397693 337420488 /nfs/dbraw/zinc/42/04/88/337420488.db2.gz YVABVZIWDTVOHV-VQIMIIECSA-N 0 0 309.409 3.783 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cccc3c2OCO3)o1 ZINC000127716466 337422128 /nfs/dbraw/zinc/42/21/28/337422128.db2.gz SWNPKZYBMJKTCU-CQSZACIVSA-N 0 0 313.353 3.684 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)O1 ZINC000131627310 337438419 /nfs/dbraw/zinc/43/84/19/337438419.db2.gz YTVNEOQUWOGJIX-XHDPSFHLSA-N 0 0 316.332 3.519 10 0 DHAERN CCOCCCCNC(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000152509382 337452504 /nfs/dbraw/zinc/45/25/04/337452504.db2.gz ZXDDIXLUJFDSDQ-KRWDZBQOSA-N 0 0 318.461 3.816 10 0 DHAERN CC(C)[C@H](C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000194931996 337464352 /nfs/dbraw/zinc/46/43/52/337464352.db2.gz VOKPNQOBLJJFDG-NSHDSACASA-N 0 0 306.406 3.652 10 0 DHAERN Cc1csc([C@@H]2CN([C@@H](C)c3ccc(F)cc3F)CCO2)n1 ZINC000195397059 337466588 /nfs/dbraw/zinc/46/65/88/337466588.db2.gz CVQICXAYYBDJND-NHYWBVRUSA-N 0 0 324.396 3.864 10 0 DHAERN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2nccs2)C1 ZINC000067046374 337543232 /nfs/dbraw/zinc/54/32/32/337543232.db2.gz FPHJHRHFFMOBTP-AWEZNQCLSA-N 0 0 311.410 3.644 10 0 DHAERN C[C@]1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1(Cl)Cl ZINC000073760967 337550896 /nfs/dbraw/zinc/55/08/96/337550896.db2.gz OBRXFSHTFFVFDE-CYBMUJFWSA-N 0 0 310.184 3.599 10 0 DHAERN CCO[C@H](C)c1nc(CN2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000247063640 337557553 /nfs/dbraw/zinc/55/75/53/337557553.db2.gz XSXNOQWJQKSTTK-DOMZBBRYSA-N 0 0 320.462 3.691 10 0 DHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000076986215 337575473 /nfs/dbraw/zinc/57/54/73/337575473.db2.gz YEUDBLIMZPQJRI-SJORKVTESA-N 0 0 319.364 3.787 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3ccco3)C2)cc1 ZINC000078186728 337592274 /nfs/dbraw/zinc/59/22/74/337592274.db2.gz OWVLIFIQIYARKM-GOEBONIOSA-N 0 0 313.397 3.625 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(NC(=O)C(C)C)cc2)o1 ZINC000078559705 337601832 /nfs/dbraw/zinc/60/18/32/337601832.db2.gz MGSZIVOBPUPSED-CYBMUJFWSA-N 0 0 314.385 3.674 10 0 DHAERN Cc1cc(Br)c(C(=O)N[C@@H]2C[C@@H]2C)cc1Cl ZINC000285957931 337602557 /nfs/dbraw/zinc/60/25/57/337602557.db2.gz AHFBHIDMFHHOGZ-WRWORJQWSA-N 0 0 302.599 3.549 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000188784095 337603183 /nfs/dbraw/zinc/60/31/83/337603183.db2.gz GGBVIQKEUSGUDM-WMLDXEAASA-N 0 0 319.420 3.569 10 0 DHAERN COc1cc(CN2CCCc3c(N)cccc32)ccc1SC ZINC000261871563 337612047 /nfs/dbraw/zinc/61/20/47/337612047.db2.gz OVEFTRJBLPISEY-UHFFFAOYSA-N 0 0 314.454 3.952 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000080753860 337682449 /nfs/dbraw/zinc/68/24/49/337682449.db2.gz BJSOQXGLRCQLJF-HZPDHXFCSA-N 0 0 316.380 3.636 10 0 DHAERN CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081584797 337725917 /nfs/dbraw/zinc/72/59/17/337725917.db2.gz YAGKVIVOHXSHIE-CVEARBPZSA-N 0 0 318.465 3.534 10 0 DHAERN C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CCS1 ZINC000108813070 337841222 /nfs/dbraw/zinc/84/12/22/337841222.db2.gz MCUJCHUFYYBRGC-XWIAVFTESA-N 0 0 311.450 3.907 10 0 DHAERN C[C@@H](Sc1ccccn1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000084967301 337846245 /nfs/dbraw/zinc/84/62/45/337846245.db2.gz PDZVKLTVYASBDV-OAHLLOKOSA-N 0 0 324.449 3.878 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 ZINC000089246472 337867900 /nfs/dbraw/zinc/86/79/00/337867900.db2.gz MQKWHZMHCLSRHH-DLBZAZTESA-N 0 0 313.397 3.847 10 0 DHAERN COc1cccc(C(=O)CCCCCNC(=O)OC(C)(C)C)c1 ZINC000405731816 337868238 /nfs/dbraw/zinc/86/82/38/337868238.db2.gz PWZCFLVVABCMBP-UHFFFAOYSA-N 0 0 321.417 3.963 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)N[C@H](COC)C2CC2)o1 ZINC000120173764 337871288 /nfs/dbraw/zinc/87/12/88/337871288.db2.gz VCSOEFUPWMRYTL-HZPDHXFCSA-N 0 0 320.433 3.504 10 0 DHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000120212255 337871461 /nfs/dbraw/zinc/87/14/61/337871461.db2.gz KIBXYGKRLUUXOW-MELADBBJSA-N 0 0 310.463 3.965 10 0 DHAERN O=C(CSCC(F)(F)F)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000090141814 337878139 /nfs/dbraw/zinc/87/81/39/337878139.db2.gz LVIVOIDUHJFYFK-YUMQZZPRSA-N 0 0 323.302 3.519 10 0 DHAERN CC1(C)C[C@H](NC(=O)[C@H]2COc3ccccc32)c2ccccc2O1 ZINC000121650145 337896948 /nfs/dbraw/zinc/89/69/48/337896948.db2.gz IXVWJRLJFAMAGL-HOTGVXAUSA-N 0 0 323.392 3.581 10 0 DHAERN O=C(c1ncccc1C(F)(F)F)N1CCC[C@@H]1c1ccco1 ZINC000092394463 337903772 /nfs/dbraw/zinc/90/37/72/337903772.db2.gz CXXWSTRFIDTIFM-LLVKDONJSA-N 0 0 310.275 3.671 10 0 DHAERN C[C@H](NC(=O)Nc1ccc(F)cn1)c1ccc(F)cc1Cl ZINC000122615625 337922932 /nfs/dbraw/zinc/92/29/32/337922932.db2.gz FRHCHRAKZMCFBF-QMMMGPOBSA-N 0 0 311.719 3.896 10 0 DHAERN C[C@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(Cl)s1 ZINC000083643924 337995931 /nfs/dbraw/zinc/99/59/31/337995931.db2.gz OKGXMHZRSZDJOB-VIFPVBQESA-N 0 0 318.895 4.000 10 0 DHAERN Cc1c(C(=O)N[C@@H]2CCCC[C@H]2CO)sc2cccc(F)c12 ZINC000151000538 338156419 /nfs/dbraw/zinc/15/64/19/338156419.db2.gz QRABJKONKMQXDY-WCQYABFASA-N 0 0 321.417 3.630 10 0 DHAERN O=C(CNc1ccccc1)Nc1ccc(F)c(Br)c1 ZINC000151089200 338158218 /nfs/dbraw/zinc/15/82/18/338158218.db2.gz WIRFSWFWDOAVRL-UHFFFAOYSA-N 0 0 323.165 3.639 10 0 DHAERN C[C@@H](COCc1ccccc1)Nc1nccc(C(F)(F)F)n1 ZINC000172781822 340341550 /nfs/dbraw/zinc/34/15/50/340341550.db2.gz VDDZKXRZUZZPLA-NSHDSACASA-N 0 0 311.307 3.513 10 0 DHAERN CC(C)(C)[C@@H](O)COc1cc(Br)ccc1Cl ZINC000304233940 340361868 /nfs/dbraw/zinc/36/18/68/340361868.db2.gz LQAHDPFKMZRZFK-NSHDSACASA-N 0 0 307.615 3.888 10 0 DHAERN CCN(C(=O)N[C@H](C)COCc1ccccc1)[C@@H](C)C(C)C ZINC000173336001 340362844 /nfs/dbraw/zinc/36/28/44/340362844.db2.gz NOMCPVZOTCZPGN-CVEARBPZSA-N 0 0 306.450 3.668 10 0 DHAERN CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@@H](C)c2cccs2)C1(C)C ZINC000173422989 340364749 /nfs/dbraw/zinc/36/47/49/340364749.db2.gz WVLFHUYYOKGWBU-NORZTCDRSA-N 0 0 310.463 3.654 10 0 DHAERN CCc1nc(C2(NCCc3ccccc3Cl)CCCC2)no1 ZINC000174237237 340384491 /nfs/dbraw/zinc/38/44/91/340384491.db2.gz UVSPULJCEIASRU-UHFFFAOYSA-N 0 0 319.836 3.887 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cc(F)ccc1F ZINC000174341174 340386399 /nfs/dbraw/zinc/38/63/99/340386399.db2.gz GXSYUXZQCOJIKH-LBPRGKRZSA-N 0 0 320.339 3.692 10 0 DHAERN CCCCOCCNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000174400069 340387481 /nfs/dbraw/zinc/38/74/81/340387481.db2.gz KIAQMEBTFXEWBU-HNNXBMFYSA-N 0 0 308.422 3.641 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)[C@@H]1c1ccccc1 ZINC000176043426 340424726 /nfs/dbraw/zinc/42/47/26/340424726.db2.gz LOPCAISSGKBKPN-QBIMZIAESA-N 0 0 308.381 3.523 10 0 DHAERN CCC1(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CCCC1 ZINC000176333408 340426737 /nfs/dbraw/zinc/42/67/37/340426737.db2.gz VVUHQGMKMFFVHP-CYBMUJFWSA-N 0 0 303.402 3.605 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc(F)cc2)O1 ZINC000178254707 340448006 /nfs/dbraw/zinc/44/80/06/340448006.db2.gz GFXUBMGMZZUIFR-BLLLJJGKSA-N 0 0 319.401 3.988 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CSCc2ccccn2)cc1F ZINC000088234129 340459531 /nfs/dbraw/zinc/45/95/31/340459531.db2.gz IRZJQDCIMYIJRD-ZDUSSCGKSA-N 0 0 318.417 3.640 10 0 DHAERN CC(C)c1nc(C2(NC(=O)C[C@@H]3CCC[C@H]3C)CCCC2)no1 ZINC000185974374 340507118 /nfs/dbraw/zinc/50/71/18/340507118.db2.gz FOINQJVQVIQHAN-KGLIPLIRSA-N 0 0 319.449 3.905 10 0 DHAERN COc1ccc(F)cc1CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000186664511 340515135 /nfs/dbraw/zinc/51/51/35/340515135.db2.gz QANKIMFAZGVGKB-LBPRGKRZSA-N 0 0 319.351 3.702 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2ccc(F)c(OC)c2)cc1 ZINC000189430536 340535884 /nfs/dbraw/zinc/53/58/84/340535884.db2.gz XQLYFQIBXKKPPZ-LLVKDONJSA-N 0 0 303.333 3.585 10 0 DHAERN COc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000189430659 340535886 /nfs/dbraw/zinc/53/58/86/340535886.db2.gz NYHDFKWVIHDDKY-VXGBXAGGSA-N 0 0 321.298 3.855 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000191258028 340551970 /nfs/dbraw/zinc/55/19/70/340551970.db2.gz KGJYNLMKUXAPDN-QFBILLFUSA-N 0 0 323.436 3.881 10 0 DHAERN CCc1c(NC(=O)N[C@H]2C[C@@H]2C)cnn1-c1cccc(Cl)c1 ZINC000191616120 340556534 /nfs/dbraw/zinc/55/65/34/340556534.db2.gz JKCVEPRNGPFWEW-GWCFXTLKSA-N 0 0 318.808 3.618 10 0 DHAERN Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000193829198 340583845 /nfs/dbraw/zinc/58/38/45/340583845.db2.gz AQFMUDVYQFUCPU-CYBMUJFWSA-N 0 0 313.445 3.645 10 0 DHAERN CCOc1ccccc1CCC(=O)N[C@@H](C)c1cccs1 ZINC000194475112 340592771 /nfs/dbraw/zinc/59/27/71/340592771.db2.gz FJLKCFSWDFYHCF-ZDUSSCGKSA-N 0 0 303.427 3.957 10 0 DHAERN CCCOc1cccc2c(N3CCC([C@H](C)O)CC3)ccnc12 ZINC000194716398 340595261 /nfs/dbraw/zinc/59/52/61/340595261.db2.gz BTHFAAMJBCZBIT-AWEZNQCLSA-N 0 0 314.429 3.621 10 0 DHAERN CCn1ncc2ccc(NC(=O)N[C@@H](C)c3ccc(C)o3)cc21 ZINC000194763436 340595783 /nfs/dbraw/zinc/59/57/83/340595783.db2.gz BBSURGIZTKGJBB-LBPRGKRZSA-N 0 0 312.373 3.840 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(Br)c1 ZINC000228977023 340609808 /nfs/dbraw/zinc/60/98/08/340609808.db2.gz ZCLIKCAALMXYHG-MRVPVSSYSA-N 0 0 304.615 3.877 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000230042001 340617761 /nfs/dbraw/zinc/61/77/61/340617761.db2.gz XZXPVNLPCJWOQS-WPRPVWTQSA-N 0 0 300.171 3.963 10 0 DHAERN Cc1csc(C(=O)N2CCCc3c(N)cccc32)c1Cl ZINC000236025245 340662158 /nfs/dbraw/zinc/66/21/58/340662158.db2.gz AVALLEJBQNYKOI-UHFFFAOYSA-N 0 0 306.818 3.885 10 0 DHAERN CC[C@H](SC)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000125313045 340803497 /nfs/dbraw/zinc/80/34/97/340803497.db2.gz HMMYBUMMPZLUOY-SKDRFNHKSA-N 0 0 316.264 3.768 10 0 DHAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2Cl)o1 ZINC000126212594 340825193 /nfs/dbraw/zinc/82/51/93/340825193.db2.gz CHKAHKKXKCLKER-LLVKDONJSA-N 0 0 313.806 3.589 10 0 DHAERN C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000068776547 340930014 /nfs/dbraw/zinc/93/00/14/340930014.db2.gz NLFNLLIXTLKRAS-QGTPRVQTSA-N 0 0 317.429 3.899 10 0 DHAERN Cc1cc(SCc2nnc(C3CC3)n2C)nc2ccccc12 ZINC000130491806 341023055 /nfs/dbraw/zinc/02/30/55/341023055.db2.gz QWUNLWPELYUZAC-UHFFFAOYSA-N 0 0 310.426 3.841 10 0 DHAERN Nc1ccccc1-c1nc(-c2cc(Br)cs2)no1 ZINC000071302917 341028578 /nfs/dbraw/zinc/02/85/78/341028578.db2.gz FXNCRSWLIKZYJL-UHFFFAOYSA-N 0 0 322.187 3.810 10 0 DHAERN CCCC(=O)N[C@@H]1CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC000130626562 341033948 /nfs/dbraw/zinc/03/39/48/341033948.db2.gz OZIDVYBMZPRJLC-MRXNPFEDSA-N 0 0 322.493 3.500 10 0 DHAERN COc1ccncc1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130660650 341037726 /nfs/dbraw/zinc/03/77/26/341037726.db2.gz VBERQEFSXUFDDF-JKSUJKDBSA-N 0 0 310.397 3.956 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000130928258 341054214 /nfs/dbraw/zinc/05/42/14/341054214.db2.gz JVHZOTWPVXPKSC-RYUDHWBXSA-N 0 0 319.401 3.804 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2c3ccccc3OC[C@H]2C)cc1 ZINC000072531681 341090145 /nfs/dbraw/zinc/09/01/45/341090145.db2.gz MFSAQNVLZYTIGV-KGLIPLIRSA-N 0 0 311.381 3.613 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccccc1O ZINC000131695102 341108998 /nfs/dbraw/zinc/10/89/98/341108998.db2.gz QDFFIHPBEALYIK-LBPRGKRZSA-N 0 0 319.788 3.644 10 0 DHAERN Oc1ccccc1OCc1nc(Cc2ccccc2Cl)no1 ZINC000131921167 341113730 /nfs/dbraw/zinc/11/37/30/341113730.db2.gz PJTMCMGKPWERTO-UHFFFAOYSA-N 0 0 316.744 3.598 10 0 DHAERN CCc1ccc(CNC2(c3noc(C4CC4)n3)CCCC2)o1 ZINC000131959648 341114254 /nfs/dbraw/zinc/11/42/54/341114254.db2.gz QDPQXGNHRVOFNG-UHFFFAOYSA-N 0 0 301.390 3.662 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)NCC(C)(C)CCO)cc1 ZINC000073442557 341116758 /nfs/dbraw/zinc/11/67/58/341116758.db2.gz FLYZPRWLFLUKGD-OAHLLOKOSA-N 0 0 320.477 3.654 10 0 DHAERN COCCC1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCCC1 ZINC000133159055 341159214 /nfs/dbraw/zinc/15/92/14/341159214.db2.gz AVTULFRJASTZGL-IAGOWNOFSA-N 0 0 307.478 3.916 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCOC(C)(C)C2)cc1 ZINC000076958155 341216308 /nfs/dbraw/zinc/21/63/08/341216308.db2.gz SKPXSFNLMQYXSO-IAGOWNOFSA-N 0 0 301.430 3.551 10 0 DHAERN CSC[C@H]1CCCN1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136879417 341268563 /nfs/dbraw/zinc/26/85/63/341268563.db2.gz UYMZTLKWLVFVPS-SMDDNHRTSA-N 0 0 312.866 3.938 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000137020846 341270579 /nfs/dbraw/zinc/27/05/79/341270579.db2.gz JCQPLLCAMKAYNY-SRVKXCTJSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C[C@H](C)c1ccccc1F ZINC000081451707 341291226 /nfs/dbraw/zinc/29/12/26/341291226.db2.gz QGBQWKKSFMZCNM-QWHCGFSZSA-N 0 0 323.408 3.508 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1c(F)cccc1Cl ZINC000081511191 341294150 /nfs/dbraw/zinc/29/41/50/341294150.db2.gz PRMFJVZXFHXASA-UWVGGRQHSA-N 0 0 316.829 3.687 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000245513419 341298655 /nfs/dbraw/zinc/29/86/55/341298655.db2.gz OTWYOQXWBFEMAJ-YWTNHNAXSA-N 0 0 307.478 3.602 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245549922 341301407 /nfs/dbraw/zinc/30/14/07/341301407.db2.gz ZRDHNYREBDJMRO-QZTJIDSGSA-N 0 0 313.445 3.590 10 0 DHAERN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)nn1C ZINC000081929310 341310275 /nfs/dbraw/zinc/31/02/75/341310275.db2.gz FGJJWVLKGAWNNG-JTQLQIEISA-N 0 0 323.799 3.827 10 0 DHAERN C[C@H]1CCN(C[C@@H](O)COC(C)(C)C)c2ccccc2S1 ZINC000245941685 341319104 /nfs/dbraw/zinc/31/91/04/341319104.db2.gz MRZXNCPVBAJKOP-UONOGXRCSA-N 0 0 309.475 3.553 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246007278 341321758 /nfs/dbraw/zinc/32/17/58/341321758.db2.gz GQIPAVJFCWDHCZ-SWHYSGLUSA-N 0 0 321.392 3.877 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)O1 ZINC000246003935 341321774 /nfs/dbraw/zinc/32/17/74/341321774.db2.gz KCCZCUPCVYUAOR-UXPWSPDFSA-N 0 0 323.436 3.697 10 0 DHAERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000246070308 341323709 /nfs/dbraw/zinc/32/37/09/341323709.db2.gz SCCZCOSRYQLJPI-LMSBXDPUSA-N 0 0 301.430 3.862 10 0 DHAERN COc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000246211874 341334144 /nfs/dbraw/zinc/33/41/44/341334144.db2.gz WXXUHBLNNDCBQC-LEAZDLGRSA-N 0 0 321.420 3.719 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000246554581 341353568 /nfs/dbraw/zinc/35/35/68/341353568.db2.gz DOZMKWOKNFGCJA-FCDRMGDPSA-N 0 0 321.420 3.894 10 0 DHAERN O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(C/C=C/c2ccccc2)C1 ZINC000246561043 341353770 /nfs/dbraw/zinc/35/37/70/341353770.db2.gz DYIAEIMBDWYADJ-ZEKNOPMESA-N 0 0 315.363 3.786 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246802680 341357141 /nfs/dbraw/zinc/35/71/41/341357141.db2.gz JCQPLLCAMKAYNY-WOPDTQHZSA-N 0 0 324.412 3.645 10 0 DHAERN CCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000246881347 341358184 /nfs/dbraw/zinc/35/81/84/341358184.db2.gz DATUDKDRWGFORI-CMKODMSKSA-N 0 0 315.457 3.724 10 0 DHAERN CC[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000246963385 341359154 /nfs/dbraw/zinc/35/91/54/341359154.db2.gz PVHYRAVCADCWKS-SQNIBIBYSA-N 0 0 301.430 3.551 10 0 DHAERN CCC[C@H](CCO)CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000247181022 341361963 /nfs/dbraw/zinc/36/19/63/341361963.db2.gz ZRMQZRWVMUGQNH-MNEFBYGVSA-N 0 0 317.473 3.828 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C)[C@H]2C)cc1 ZINC000248198018 341374681 /nfs/dbraw/zinc/37/46/81/341374681.db2.gz XSFGINBKRADIQF-KNCCTNLNSA-N 0 0 301.430 3.549 10 0 DHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248198333 341374703 /nfs/dbraw/zinc/37/47/03/341374703.db2.gz XUTWPYMQHZVTRZ-LJISPDSOSA-N 0 0 311.347 3.712 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2C[C@H](C)[C@@H]3CCCC[C@H]32)cc1 ZINC000248413263 341377137 /nfs/dbraw/zinc/37/71/37/341377137.db2.gz FYALYDCWANBTTP-DFEHZGFQSA-N 0 0 301.430 3.836 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC(C)(C)C1 ZINC000248590108 341380626 /nfs/dbraw/zinc/38/06/26/341380626.db2.gz RPHGEKIAIHOJGD-DRMAHVMPSA-N 0 0 307.478 3.602 10 0 DHAERN CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000249635179 341399993 /nfs/dbraw/zinc/39/99/93/341399993.db2.gz RNFNUKPQFDMOSG-IIDMSEBBSA-N 0 0 303.446 3.672 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)CCn2cnc3ccccc32)cc1 ZINC000251997502 341422711 /nfs/dbraw/zinc/42/27/11/341422711.db2.gz LGNJUYYSNXXIBH-OAHLLOKOSA-N 0 0 321.424 3.866 10 0 DHAERN COc1ccc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000153315597 341534811 /nfs/dbraw/zinc/53/48/11/341534811.db2.gz AHZXJBQMQJPVJR-SFHVURJKSA-N 0 0 313.372 3.571 10 0 DHAERN CC(C)[C@@H](O)CC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000154356026 341588431 /nfs/dbraw/zinc/58/84/31/341588431.db2.gz MFQVVDBUHHGHBY-KXBFYZLASA-N 0 0 311.425 3.938 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155910748 341614749 /nfs/dbraw/zinc/61/47/49/341614749.db2.gz UQQGEVRXBMMMTD-UFBFGSQYSA-N 0 0 324.293 3.912 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F ZINC000155910626 341614862 /nfs/dbraw/zinc/61/48/62/341614862.db2.gz UQQGEVRXBMMMTD-PELKAZGASA-N 0 0 324.293 3.912 10 0 DHAERN CCC[C@H](N[C@H](C)c1cnn(C(C)C)c1)C(=O)OC(C)(C)C ZINC000157487534 341639119 /nfs/dbraw/zinc/63/91/19/341639119.db2.gz HBYKHPTWBMTRDE-HIFRSBDPSA-N 0 0 309.454 3.625 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(Cl)s1 ZINC000171734486 341783824 /nfs/dbraw/zinc/78/38/24/341783824.db2.gz CWWRGCIPAOSCOA-IUCAKERBSA-N 0 0 304.868 3.609 10 0 DHAERN CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000176434918 519119632 /nfs/dbraw/zinc/11/96/32/519119632.db2.gz ZUFMOFSCKTYIPZ-GFCCVEGCSA-N 0 0 316.426 3.694 10 0 DHAERN CC(C)(CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000151097058 519186837 /nfs/dbraw/zinc/18/68/37/519186837.db2.gz QQIMRIODBZSYJI-XLIONFOSSA-N 0 0 315.457 3.508 10 0 DHAERN CC(=O)Nc1ccc(Cl)c(NCc2nccn2C(C)C)c1 ZINC000124359802 519719235 /nfs/dbraw/zinc/71/92/35/519719235.db2.gz QYKYMXSCQIWAOM-UHFFFAOYSA-N 0 0 306.797 3.688 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)Cc2cncs2)cc1 ZINC000189384977 519763477 /nfs/dbraw/zinc/76/34/77/519763477.db2.gz ZKHOIFXWMZFYFC-ZDUSSCGKSA-N 0 0 318.442 3.598 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NCc2noc(C3CC3)n2)cc1 ZINC000181390789 519763565 /nfs/dbraw/zinc/76/35/65/519763565.db2.gz OYFSUALQWGOGMN-CYBMUJFWSA-N 0 0 315.417 3.833 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)Cc2ccncc2)cc1 ZINC000182103141 519763620 /nfs/dbraw/zinc/76/36/20/519763620.db2.gz MIHAUDNFLKJSSC-OAHLLOKOSA-N 0 0 312.413 3.536 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)NC(C)(C)C)C2)n1 ZINC000157334315 519856838 /nfs/dbraw/zinc/85/68/38/519856838.db2.gz UTCGAFNBBGZHTL-GFCCVEGCSA-N 0 0 309.479 3.954 10 0 DHAERN CC(C)c1nnc(CN[C@@H](CC2CCC2)c2ccccc2)n1C ZINC000181358415 519887908 /nfs/dbraw/zinc/88/79/08/519887908.db2.gz LPBMTVYNHXQUSA-KRWDZBQOSA-N 0 0 312.461 3.960 10 0 DHAERN CC(C)c1nnc(CS[C@@H]2CCc3ccc(F)cc32)n1C ZINC000182356968 519888786 /nfs/dbraw/zinc/88/87/86/519888786.db2.gz IELCSAMTSFPZJK-CQSZACIVSA-N 0 0 305.422 3.998 10 0 DHAERN CCN(C)C(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182620849 520217643 /nfs/dbraw/zinc/21/76/43/520217643.db2.gz TYDBZFBGUFMFMM-GXTWGEPZSA-N 0 0 316.228 3.939 10 0 DHAERN CCCCC[C@H](NCc1nnc(CC)n1C)c1ccccc1 ZINC000181743350 520312824 /nfs/dbraw/zinc/31/28/24/520312824.db2.gz JWZAETPGIDHSKE-INIZCTEOSA-N 0 0 300.450 3.789 10 0 DHAERN CCCOc1ccc([C@H](C)N[C@H]2CCCn3nc(C)nc32)cc1 ZINC000181256781 520427669 /nfs/dbraw/zinc/42/76/69/520427669.db2.gz LWDYACHNHIUQHS-GUYCJALGSA-N 0 0 314.433 3.561 10 0 DHAERN CCOc1cc(C)ccc1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000157746698 520676489 /nfs/dbraw/zinc/67/64/89/520676489.db2.gz SZJDOBHPQSLGEW-CQSZACIVSA-N 0 0 316.401 3.856 10 0 DHAERN CCCCOC[C@@H](O)COc1c(C(C)=O)ccc2ccccc21 ZINC000193244779 520801954 /nfs/dbraw/zinc/80/19/54/520801954.db2.gz JDJQUUVSNUQLGJ-MRXNPFEDSA-N 0 0 316.397 3.599 10 0 DHAERN CCCCS[C@H](C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105849818 520969915 /nfs/dbraw/zinc/96/99/15/520969915.db2.gz BYKYCKWLYXUQGB-CABCVRRESA-N 0 0 323.506 3.622 10 0 DHAERN CCCCc1nc(CSCc2nnc(C)n2CC)cs1 ZINC000179824607 521305922 /nfs/dbraw/zinc/30/59/22/521305922.db2.gz WHXRWEJZLZAERR-UHFFFAOYSA-N 0 0 310.492 3.839 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191669220 521312307 /nfs/dbraw/zinc/31/23/07/521312307.db2.gz KZYUTULOEZPZHS-JQWIXIFHSA-N 0 0 301.839 3.565 10 0 DHAERN CCOCCCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000152510510 521702464 /nfs/dbraw/zinc/70/24/64/521702464.db2.gz NQNOFPPMIIMPAU-YOEHRIQHSA-N 0 0 304.434 3.741 10 0 DHAERN CCc1ccccc1NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111709065 521889292 /nfs/dbraw/zinc/88/92/92/521889292.db2.gz GOVYQIZPYSAPFZ-INIZCTEOSA-N 0 0 312.417 3.623 10 0 DHAERN COC[C@@H](C)C(=O)N(c1cccc(C(F)(F)F)c1)C(C)C ZINC000159340798 522168339 /nfs/dbraw/zinc/16/83/39/522168339.db2.gz KXXGVNULYJJAPQ-LLVKDONJSA-N 0 0 303.324 3.729 10 0 DHAERN COC[C@H](C)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000103383319 522545365 /nfs/dbraw/zinc/54/53/65/522545365.db2.gz MUCUHHIDLLDJKK-JTQLQIEISA-N 0 0 316.228 3.767 10 0 DHAERN CC[C@@H](CSC)NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000179979616 522608684 /nfs/dbraw/zinc/60/86/84/522608684.db2.gz ULRQVCQXPYPQEM-NWDGAFQWSA-N 0 0 313.492 3.521 10 0 DHAERN CN(CCC1CC1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000122601280 522702068 /nfs/dbraw/zinc/70/20/68/522702068.db2.gz UOPPZYAAKVCAIM-HNNXBMFYSA-N 0 0 302.418 3.730 10 0 DHAERN CC[C@H](N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754777 522716496 /nfs/dbraw/zinc/71/64/96/522716496.db2.gz KLHYVFWJXYADHG-QWHCGFSZSA-N 0 0 308.788 3.646 10 0 DHAERN CC[C@H](Nc1cccc(-n2nc(C)cc2C)c1)c1nccn1C ZINC000182875202 522770626 /nfs/dbraw/zinc/77/06/26/522770626.db2.gz ZGJCZZXMFLNOOC-KRWDZBQOSA-N 0 0 309.417 3.786 10 0 DHAERN CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880162 522924921 /nfs/dbraw/zinc/92/49/21/522924921.db2.gz FPMIAJLWGRXPSU-ZIAGYGMSSA-N 0 0 322.815 3.955 10 0 DHAERN COCC1CCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153228265 522928648 /nfs/dbraw/zinc/92/86/48/522928648.db2.gz TYYSBRZBGHTEDA-KBXCAEBGSA-N 0 0 316.445 3.693 10 0 DHAERN CCn1c(C)nnc1CN1Cc2ccccc2-c2ccccc2C1 ZINC000171103082 523152775 /nfs/dbraw/zinc/15/27/75/523152775.db2.gz JXETUQVXAFQYND-UHFFFAOYSA-N 0 0 318.424 3.789 10 0 DHAERN COCc1noc([C@H](C)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000183008060 523275423 /nfs/dbraw/zinc/27/54/23/523275423.db2.gz OSTXHSMYBYKDHR-STQMWFEESA-N 0 0 311.385 3.781 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)cn1 ZINC000124092369 523354023 /nfs/dbraw/zinc/35/40/23/523354023.db2.gz XAFSHOSCFLSJGM-UHFFFAOYSA-N 0 0 323.396 3.669 10 0 DHAERN COCCC[C@@H](C)C(=O)Oc1ccc(F)cc1Br ZINC000182197634 523463704 /nfs/dbraw/zinc/46/37/04/523463704.db2.gz QJBRVDJBAGMZHD-SECBINFHSA-N 0 0 319.170 3.556 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000180454664 523528907 /nfs/dbraw/zinc/52/89/07/523528907.db2.gz GLJCZODCCCJBKV-SQWLQELKSA-N 0 0 317.429 3.610 10 0 DHAERN CC[C@@]1(C)Oc2ccc(NC(=O)N3CCS[C@@H](C)C3)cc2O1 ZINC000190447013 523733790 /nfs/dbraw/zinc/73/37/90/523733790.db2.gz GKYDKXXKOIRKHD-ZBEGNZNMSA-N 0 0 322.430 3.553 10 0 DHAERN CO[C@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000157686980 523830849 /nfs/dbraw/zinc/83/08/49/523830849.db2.gz ALDXYRBDJVQQMZ-MSOLQXFVSA-N 0 0 313.372 3.707 10 0 DHAERN CCc1ccc(C(C)(C)NCc2nnc(C(C)C)n2C)cc1 ZINC000180103522 523902177 /nfs/dbraw/zinc/90/21/77/523902177.db2.gz KLOKUWJQQBBJLF-UHFFFAOYSA-N 0 0 300.450 3.526 10 0 DHAERN COc1ccc(CN2CCCC[C@H]2c2nccs2)c(OC)c1 ZINC000127618169 524027092 /nfs/dbraw/zinc/02/70/92/524027092.db2.gz FPFOPWJLSKSBTC-HNNXBMFYSA-N 0 0 318.442 3.888 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccn2)o1 ZINC000128499029 524034866 /nfs/dbraw/zinc/03/48/66/524034866.db2.gz ZSFOQEMDBUNHSW-KRWDZBQOSA-N 0 0 312.413 3.923 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)CCCOC)o1 ZINC000182993948 524035311 /nfs/dbraw/zinc/03/53/11/524035311.db2.gz KUHOLLVNXJNXID-HOCLYGCPSA-N 0 0 307.434 3.958 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)NC[C@H](C)c2nccs2)cc1 ZINC000182805522 524044351 /nfs/dbraw/zinc/04/43/51/524044351.db2.gz WNHFOGUEKDWAEH-STQMWFEESA-N 0 0 317.458 3.869 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CCc2ccncc2)o1 ZINC000129424093 524053160 /nfs/dbraw/zinc/05/31/60/524053160.db2.gz KAZKBJXSXXGADY-QGZVFWFLSA-N 0 0 312.413 3.923 10 0 DHAERN CCc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000188974181 524069862 /nfs/dbraw/zinc/06/98/62/524069862.db2.gz RQKYLHIHSXNDBM-INIZCTEOSA-N 0 0 302.443 3.587 10 0 DHAERN Cc1cc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000168777923 524236900 /nfs/dbraw/zinc/23/69/00/524236900.db2.gz SRPYRUMAXHOBAP-ZDUSSCGKSA-N 0 0 311.303 3.800 10 0 DHAERN Cc1ccc(CN(C(=O)[C@@H]2CC[C@H](C)O2)c2ccc(F)cc2)o1 ZINC000153817081 524358859 /nfs/dbraw/zinc/35/88/59/524358859.db2.gz FTNVFAAJFRTPAE-GUYCJALGSA-N 0 0 317.360 3.828 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N2CCCSc3ccc(Cl)cc32)O1 ZINC000156722625 524379483 /nfs/dbraw/zinc/37/94/83/524379483.db2.gz VVZHVOFZJZLHLU-GXFFZTMASA-N 0 0 311.834 3.736 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cccc(SC(F)F)c2)CCS1 ZINC000171401567 524510955 /nfs/dbraw/zinc/51/09/55/524510955.db2.gz VZKVCZRVJYSMPF-VIFPVBQESA-N 0 0 318.414 3.971 10 0 DHAERN Cc1cccc(N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000157325238 524564835 /nfs/dbraw/zinc/56/48/35/524564835.db2.gz XVUCLQIJBVPSKO-ZDUSSCGKSA-N 0 0 317.458 3.722 10 0 DHAERN Cc1ccc(C[C@H](C)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000181901171 524669807 /nfs/dbraw/zinc/66/98/07/524669807.db2.gz WJGDHNSKAZUMFC-YJBOKZPZSA-N 0 0 311.429 3.651 10 0 DHAERN Cc1ccc(C[C@H](C)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000181901140 524670134 /nfs/dbraw/zinc/67/01/34/524670134.db2.gz WJGDHNSKAZUMFC-MAUKXSAKSA-N 0 0 311.429 3.651 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180499450 524961319 /nfs/dbraw/zinc/96/13/19/524961319.db2.gz LNSMACPTPWKMRC-QUBYGPBYSA-N 0 0 322.124 3.606 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000187984764 525014120 /nfs/dbraw/zinc/01/41/20/525014120.db2.gz LPVCHOXDRBGEBC-KDOFPFPSSA-N 0 0 317.429 3.899 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000191697352 525018021 /nfs/dbraw/zinc/01/80/21/525018021.db2.gz BPUCTNCLXYKDTM-HZPDHXFCSA-N 0 0 316.445 3.821 10 0 DHAERN COc1ccc([C@@H](C)C(=O)NC[C@@H](C)Cc2cccs2)cc1 ZINC000156362772 525117104 /nfs/dbraw/zinc/11/71/04/525117104.db2.gz YXEZGDLJDJKEAI-UONOGXRCSA-N 0 0 317.454 3.855 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1cccs1 ZINC000190014086 525142710 /nfs/dbraw/zinc/14/27/10/525142710.db2.gz SGEJEMQTQKIDJQ-SMDDNHRTSA-N 0 0 301.411 3.751 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000132382548 525147555 /nfs/dbraw/zinc/14/75/55/525147555.db2.gz AYKAJEVEIUUFKP-DTORHVGOSA-N 0 0 321.726 3.608 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)NCc1ccccc1COCc1ccccc1 ZINC000170807100 525323904 /nfs/dbraw/zinc/32/39/04/525323904.db2.gz YOIFRWGWEARBFU-BEFAXECRSA-N 0 0 324.424 3.611 10 0 DHAERN C[C@@H](N[C@@H](C)c1cccc(-n2ccnc2)c1)c1nc(C2CC2)no1 ZINC000180661897 525611796 /nfs/dbraw/zinc/61/17/96/525611796.db2.gz NHVKPGQVJIFFAT-QWHCGFSZSA-N 0 0 323.400 3.545 10 0 DHAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225507 525682252 /nfs/dbraw/zinc/68/22/52/525682252.db2.gz MUYXZSPDBCSNOC-CJNGLKHVSA-N 0 0 314.433 3.641 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2)o1 ZINC000021839478 525715256 /nfs/dbraw/zinc/71/52/56/525715256.db2.gz VDMXPYPZAMPADG-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)o1 ZINC000193114439 525933016 /nfs/dbraw/zinc/93/30/16/525933016.db2.gz KLOUZIZRZNRGHS-IHRRRGAJSA-N 0 0 318.392 3.644 10 0 DHAERN Cc1cnc(CCN(C)C(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000157271983 525992493 /nfs/dbraw/zinc/99/24/93/525992493.db2.gz HBSNGQMTZOWISJ-AWEZNQCLSA-N 0 0 317.458 3.705 10 0 DHAERN CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180600274 526169772 /nfs/dbraw/zinc/16/97/72/526169772.db2.gz RBXMNMCFLSYFLN-CQSZACIVSA-N 0 0 316.430 3.891 10 0 DHAERN C[C@H](CC(=O)N1CCCc2c(N)cccc21)c1cccc(F)c1 ZINC000237535470 526228191 /nfs/dbraw/zinc/22/81/91/526228191.db2.gz KHLKZINIMYGJJG-CYBMUJFWSA-N 0 0 312.388 3.881 10 0 DHAERN Cc1nnc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181737815 526345438 /nfs/dbraw/zinc/34/54/38/526345438.db2.gz QFSXHGGBESSIQR-CYBMUJFWSA-N 0 0 303.406 3.654 10 0 DHAERN Cc1nnc(N[C@@H]2CCc3cc(Br)ccc32)s1 ZINC000226142603 526373817 /nfs/dbraw/zinc/37/38/17/526373817.db2.gz QYZAIIWGGUAERG-LLVKDONJSA-N 0 0 310.220 3.708 10 0 DHAERN Cc1csc([C@H]2CN(Cc3cc(C)cc(C)c3)CCO2)n1 ZINC000157776919 526444788 /nfs/dbraw/zinc/44/47/88/526444788.db2.gz FPPYJUVKKJFAIO-MRXNPFEDSA-N 0 0 302.443 3.642 10 0 DHAERN c1ccc(NC2CCN(c3noc(-c4ccccc4)n3)CC2)cc1 ZINC000157269572 526481945 /nfs/dbraw/zinc/48/19/45/526481945.db2.gz YTLPLXZYZBHGCO-UHFFFAOYSA-N 0 0 320.396 3.818 10 0 DHAERN Cc1noc(C)c1CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130219974 526511706 /nfs/dbraw/zinc/51/17/06/526511706.db2.gz QIGABVSXUPNDDD-IAGOWNOFSA-N 0 0 312.413 3.835 10 0 DHAERN O=C(NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000156680963 526557669 /nfs/dbraw/zinc/55/76/69/526557669.db2.gz LCFXFRATHNMPDX-FZMZJTMJSA-N 0 0 321.207 3.922 10 0 DHAERN c1nc2sc3c(c2c(NCCC2=CCOCC2)n1)CCCC3 ZINC000158044193 526611855 /nfs/dbraw/zinc/61/18/55/526611855.db2.gz ZOPFBBDHNAHECA-UHFFFAOYSA-N 0 0 315.442 3.719 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@@H]2C[C@@H]2c2cccnc2)o1 ZINC000299744854 526740633 /nfs/dbraw/zinc/74/06/33/526740633.db2.gz UXJXXNQTTUPJQO-YJNKXOJESA-N 0 0 313.401 3.654 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc(/C=C/c2cncc(F)c2)o1 ZINC000299745714 526740999 /nfs/dbraw/zinc/74/09/99/526740999.db2.gz SBUSOPNJQIAPQN-SDCXRFKSSA-N 0 0 317.364 3.693 10 0 DHAERN Cc1nc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c(C)s1 ZINC000181247808 526793350 /nfs/dbraw/zinc/79/33/50/526793350.db2.gz IKOGJMFABQCFPF-BBATYDOGSA-N 0 0 314.454 3.661 10 0 DHAERN Cc1nc(Cl)ccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000154849807 526938392 /nfs/dbraw/zinc/93/83/92/526938392.db2.gz AFAJRRGMKCAXEE-ZJUUUORDSA-N 0 0 320.742 3.894 10 0 DHAERN Clc1ccc(CCCN2CCO[C@H](c3nccs3)C2)cc1 ZINC000157753223 526941786 /nfs/dbraw/zinc/94/17/86/526941786.db2.gz UVZXOUVZWOUFEA-HNNXBMFYSA-N 0 0 322.861 3.803 10 0 DHAERN Cc1nc([C@H](C)OC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000191318630 527068146 /nfs/dbraw/zinc/06/81/46/527068146.db2.gz TUMRDKWXXFKMJQ-IUIKQTSFSA-N 0 0 314.385 3.909 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2Cl)cn1 ZINC000171507297 527298231 /nfs/dbraw/zinc/29/82/31/527298231.db2.gz OTSZINVUIRCCRS-AWEZNQCLSA-N 0 0 322.771 3.582 10 0 DHAERN Cn1cc([C@@H]2CCN(c3nc(-c4ccccc4)cs3)C2)cn1 ZINC000127540126 527301686 /nfs/dbraw/zinc/30/16/86/527301686.db2.gz HLDSNTSWOUUGSR-CQSZACIVSA-N 0 0 310.426 3.538 10 0 DHAERN O=C(Nc1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109078575 527515872 /nfs/dbraw/zinc/51/58/72/527515872.db2.gz FOCYATLCATVUTF-QWRGUYRKSA-N 0 0 313.307 3.583 10 0 DHAERN O=C(C(C1CC1)C1CC1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000132286056 527667346 /nfs/dbraw/zinc/66/73/46/527667346.db2.gz HXJYWZFQNIUIJE-QZTJIDSGSA-N 0 0 313.441 3.537 10 0 DHAERN O[C@@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(C/C=C/Cl)C1 ZINC000161041718 527679239 /nfs/dbraw/zinc/67/92/39/527679239.db2.gz ZJANLICAVSFVJW-XZKJTIFOSA-N 0 0 305.727 3.566 10 0 DHAERN Cc1oc(-c2ccco2)nc1CN(C)C[C@@H]1Cc2ccccc2O1 ZINC000012585531 551199788 /nfs/dbraw/zinc/19/97/88/551199788.db2.gz NVGPCGUJNQAMPN-HNNXBMFYSA-N 0 0 324.380 3.679 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)c1cc(Cl)ccc1Cl ZINC000226261305 563913159 /nfs/dbraw/zinc/91/31/59/563913159.db2.gz PGJNOWCGAPMOJJ-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN O=C(Nc1ccccc1Br)C(Cl)(Cl)Cl ZINC000000514170 563264115 /nfs/dbraw/zinc/26/41/15/563264115.db2.gz BFGPVFBEANPEHH-UHFFFAOYSA-N 0 0 317.397 3.758 10 0 DHAERN O=C(Nc1ccc(Cl)c(Cl)c1)NN1CCCCCC1 ZINC000001580071 563285817 /nfs/dbraw/zinc/28/58/17/563285817.db2.gz VKVGZJHXHIVQDK-UHFFFAOYSA-N 0 0 302.205 3.906 10 0 DHAERN CCCN(CCC)C(=O)c1cc(-c2ccsc2)n(CC)n1 ZINC000034901150 563325090 /nfs/dbraw/zinc/32/50/90/563325090.db2.gz UZEWCQQBUYQZBY-UHFFFAOYSA-N 0 0 305.447 3.894 10 0 DHAERN Cc1nc([C@@H]2NCCc3ccsc32)sc1Br ZINC000719295235 563478006 /nfs/dbraw/zinc/47/80/06/563478006.db2.gz XQLFLUNAHDKTSI-MRVPVSSYSA-N 0 0 315.261 3.511 10 0 DHAERN CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 ZINC000071790692 563501345 /nfs/dbraw/zinc/50/13/45/563501345.db2.gz QWPRZYCJBNFORB-MRXNPFEDSA-N 0 0 317.429 3.933 10 0 DHAERN CCCCOC(=O)c1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 ZINC000078400768 563512516 /nfs/dbraw/zinc/51/25/16/563512516.db2.gz PTROAKDVOSDNCY-UHFFFAOYSA-N 0 0 309.369 3.769 10 0 DHAERN Nc1c(CNC(=O)OCc2ccccc2)ccc2ccccc21 ZINC000725246316 563526440 /nfs/dbraw/zinc/52/64/40/563526440.db2.gz UWUPPRWGHZYNMP-UHFFFAOYSA-N 0 0 306.365 3.848 10 0 DHAERN Cc1ccc2c(c(Cl)c(C)c(=O)n2C)c1Br ZINC000725260867 563567219 /nfs/dbraw/zinc/56/72/19/563567219.db2.gz YQKIIOQJDOMXEU-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1/C=C/Br ZINC000685964799 563774910 /nfs/dbraw/zinc/77/49/10/563774910.db2.gz UTYWLEMWCCAMMV-BZCKNUJPSA-N 0 0 304.228 3.788 10 0 DHAERN COC(=O)c1cc2ccc(Br)c(F)c2nc1Cl ZINC000675051825 563780554 /nfs/dbraw/zinc/78/05/54/563780554.db2.gz VBJAGRUBEMNIAE-UHFFFAOYSA-N 0 0 318.529 3.576 10 0 DHAERN CC1CCN(c2ccc(NC(=O)c3ccccc3)cc2N)CC1 ZINC000226265827 563913406 /nfs/dbraw/zinc/91/34/06/563913406.db2.gz KUJKZCSDWGFRNB-UHFFFAOYSA-N 0 0 309.413 3.757 10 0 DHAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2ccccc2)cc1N ZINC000226265794 563913483 /nfs/dbraw/zinc/91/34/83/563913483.db2.gz ILADQOLMUNLRJA-AWEZNQCLSA-N 0 0 309.413 3.900 10 0 DHAERN O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)C(F)(F)F ZINC000226269719 563913535 /nfs/dbraw/zinc/91/35/35/563913535.db2.gz BXMFVOPYMPNYLV-UHFFFAOYSA-N 0 0 306.243 3.996 10 0 DHAERN C[C@H](O)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000226274204 563913578 /nfs/dbraw/zinc/91/35/78/563913578.db2.gz FCTAPBLJWJOSTQ-JTQLQIEISA-N 0 0 320.186 3.755 10 0 DHAERN C[C@@H](O)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000226274197 563913584 /nfs/dbraw/zinc/91/35/84/563913584.db2.gz FCTAPBLJWJOSTQ-SNVBAGLBSA-N 0 0 320.186 3.755 10 0 DHAERN CCC(CC)n1nc(C)cc1C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000252527531 563916787 /nfs/dbraw/zinc/91/67/87/563916787.db2.gz CUPFPULXTITWIA-GOEBONIOSA-N 0 0 303.450 3.957 10 0 DHAERN O=C(Nc1ccccc1)NC1CCP(c2ccccc2)CC1 ZINC000048522920 563923921 /nfs/dbraw/zinc/92/39/21/563923921.db2.gz OWESJAFDCSUJFP-UHFFFAOYSA-N 0 0 312.353 3.778 10 0 DHAERN COc1cccc2c(OCC(=O)Nc3ccccc3)cc(C)nc12 ZINC000227149085 563941306 /nfs/dbraw/zinc/94/13/06/563941306.db2.gz IEJNBTGDDURPCK-UHFFFAOYSA-N 0 0 322.364 3.569 10 0 DHAERN Cc1cc2c(cc(O)c1=O)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3 ZINC000038321878 563947530 /nfs/dbraw/zinc/94/75/30/563947530.db2.gz QCERTNNJMAPQRG-BXWFABGCSA-N 0 0 300.398 3.600 10 0 biogenic,in-vitro DHAERN CC(C)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 ZINC000067298263 563948760 /nfs/dbraw/zinc/94/87/60/563948760.db2.gz KPPDZONWXIKKAX-VZCXRCSSSA-N 0 0 322.364 3.593 10 0 DHAERN C[C@@]12CCc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@@](O)(CO)C3 ZINC000013827682 571704533 /nfs/dbraw/zinc/70/45/33/571704533.db2.gz DNJVYWXIDISQRD-UZWFVJOISA-N 0 0 316.441 3.639 10 0 endogenous,in-man DHAERN CSCCC[N@H+](C)Cc1c2ccccc2sc1C(=O)[O-] ZINC000380393125 971694736 /nfs/dbraw/zinc/69/47/36/971694736.db2.gz APZGPDZCKRZVKQ-UHFFFAOYSA-N 0 0 309.456 3.784 10 0 DHAERN C[C@@H](c1ccc(C(=O)[O-])o1)[N@H+](C)CCCOCc1ccccc1 ZINC000383617757 971881285 /nfs/dbraw/zinc/88/12/85/971881285.db2.gz QCJZRIRJKMVIEN-AWEZNQCLSA-N 0 0 317.385 3.578 10 0 DHAERN CCCOc1ccc(C[N@H+](CC(=O)[O-])Cc2ccccc2)cc1 ZINC000692425297 976465022 /nfs/dbraw/zinc/46/50/22/976465022.db2.gz GXNKWQGFTQANAL-UHFFFAOYSA-N 0 0 313.397 3.562 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)c(F)c1 ZINC000692429226 976469989 /nfs/dbraw/zinc/46/99/89/976469989.db2.gz SCOAQNYIUAWNIY-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cnc2ccccc2c1 ZINC000692461138 976491285 /nfs/dbraw/zinc/49/12/85/976491285.db2.gz IQDJRSRWOSKIHJ-UHFFFAOYSA-N 0 0 320.392 3.712 10 0 DHAERN CS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000707342516 977384639 /nfs/dbraw/zinc/38/46/39/977384639.db2.gz GSMMHOLZDGFRAB-NWDGAFQWSA-N 0 0 313.850 3.754 10 0 DHAERN O=C([O-])[C@H]1CCCCC[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722134099 978133022 /nfs/dbraw/zinc/13/30/22/978133022.db2.gz ZMDACLLBFRTMFQ-CQSZACIVSA-N 0 0 316.228 3.865 10 0 DHAERN CC(C)[C@@H](C)CC(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000069436180 1014803091 /nfs/dbraw/zinc/80/30/91/1014803091.db2.gz ZZJUMKNOASPHBB-AWEZNQCLSA-N 0 0 304.434 3.898 10 0 DHAERN CCc1onc(C)c1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000089412604 1032339179 /nfs/dbraw/zinc/33/91/79/1032339179.db2.gz YCRMLMFXQOEEEB-UHFFFAOYSA-N 0 0 317.414 3.928 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000072524745 1018863374 /nfs/dbraw/zinc/86/33/74/1018863374.db2.gz XRBUQGLPGAPCIM-GQGLESIBSA-N 0 0 318.465 3.587 10 0 DHAERN O=C(CNc1ccc(F)cc1)N1CCC[C@@H]1c1cccs1 ZINC000060934752 1033008225 /nfs/dbraw/zinc/00/82/25/1033008225.db2.gz XOIQWAAIMRQHIV-CQSZACIVSA-N 0 0 304.390 3.663 10 0 DHAERN Cc1cccc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067048182 1030519797 /nfs/dbraw/zinc/51/97/97/1030519797.db2.gz LFBPIWKBLMJFLO-MRXNPFEDSA-N 0 0 314.454 3.790 10 0 DHAERN C[C@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000054607274 1037354027 /nfs/dbraw/zinc/35/40/27/1037354027.db2.gz LOTIMBFWZXXNLN-ZDUSSCGKSA-N 0 0 316.376 3.672 10 0 DHAERN Fc1cccc(F)c1CSc1nnc(-c2cnccn2)s1 ZINC000095578381 185380743 /nfs/dbraw/zinc/38/07/43/185380743.db2.gz JMOJUAGAYLGUAF-UHFFFAOYSA-N 0 0 322.365 3.566 10 0 DHAERN O=Cc1c(Br)c(O)ccc1OCc1ccccc1 ZINC000095616850 185382661 /nfs/dbraw/zinc/38/26/61/185382661.db2.gz ICQZFGMHVSOZTP-UHFFFAOYSA-N 0 0 307.143 3.546 10 0 DHAERN Cc1ccc(Br)c(F)c1I ZINC000095671148 185382954 /nfs/dbraw/zinc/38/29/54/185382954.db2.gz QVBUZQVMHUYVHZ-UHFFFAOYSA-N 0 0 314.923 3.501 10 0 DHAERN CC(C)(C)c1cc(I)ncc1OC1CC1 ZINC000095724453 185383538 /nfs/dbraw/zinc/38/35/38/185383538.db2.gz HJCQHZQQHMLIBN-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CSc1ccc(I)c(OC2CC2)c1 ZINC000095732319 185383712 /nfs/dbraw/zinc/38/37/12/185383712.db2.gz JRDNUROIELEIDJ-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN Cc1cc2c(nccc2Cl)n1S(=O)(=O)c1ccccc1C ZINC000079033880 185147802 /nfs/dbraw/zinc/14/78/02/185147802.db2.gz YCTOQNALZIMDNB-UHFFFAOYSA-N 0 0 320.801 3.544 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000079433931 185171501 /nfs/dbraw/zinc/17/15/01/185171501.db2.gz IZBDPCAPNCWZEZ-CMPLNLGQSA-N 0 0 321.289 3.745 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(C)c(Br)c1 ZINC000087409966 185224381 /nfs/dbraw/zinc/22/43/81/185224381.db2.gz DLXPKSWYLILVPO-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN CCOC(=O)c1c(C)noc1-c1ccc(Br)cc1 ZINC000087493664 185226787 /nfs/dbraw/zinc/22/67/87/185226787.db2.gz NHTUYMAZAFNLIP-UHFFFAOYSA-N 0 0 310.147 3.589 10 0 DHAERN CCCCc1nc(Cl)c(CNCc2cc(F)ccc2F)[nH]1 ZINC000088399275 185248517 /nfs/dbraw/zinc/24/85/17/185248517.db2.gz FMZZGAORAWOAIX-UHFFFAOYSA-N 0 0 313.779 3.974 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(Cl)c1 ZINC000088559870 185258023 /nfs/dbraw/zinc/25/80/23/185258023.db2.gz VBZJKJSACLHKHI-BXUZGUMPSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461113 185297634 /nfs/dbraw/zinc/29/76/34/185297634.db2.gz NEEVPXUVFILXTJ-HOCLYGCPSA-N 0 0 309.413 3.964 10 0 DHAERN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461115 185297836 /nfs/dbraw/zinc/29/78/36/185297836.db2.gz NEEVPXUVFILXTJ-ZBFHGGJFSA-N 0 0 309.413 3.964 10 0 DHAERN Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2Cl)c(F)c1 ZINC000090557869 185303296 /nfs/dbraw/zinc/30/32/96/185303296.db2.gz FRUHHVIOSKAPJF-UHFFFAOYSA-N 0 0 319.073 3.515 10 0 DHAERN Oc1c(C[C@H]2CC(c3ccccc3)=NO2)ccc2cccnc21 ZINC000090698101 185309890 /nfs/dbraw/zinc/30/98/90/185309890.db2.gz VUTVDKWQKIKTIS-INIZCTEOSA-N 0 0 304.349 3.676 10 0 DHAERN Cc1ccc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790508 185341239 /nfs/dbraw/zinc/34/12/39/185341239.db2.gz FXKMLQRAGGUZCG-AWEZNQCLSA-N 0 0 320.458 3.916 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc(C)cc3C)CCO2)n1 ZINC000092790068 185341254 /nfs/dbraw/zinc/34/12/54/185341254.db2.gz YFBDKGJWKVZKCO-INIZCTEOSA-N 0 0 302.443 3.642 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)no1 ZINC000092814319 185343645 /nfs/dbraw/zinc/34/36/45/185343645.db2.gz RFMHJBLCBBKNNO-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2ccc(N)c(C)c2)c(C)c1 ZINC000226272311 201771392 /nfs/dbraw/zinc/77/13/92/201771392.db2.gz JFMXKCUEFSNIQB-UHFFFAOYSA-N 0 0 311.429 3.984 10 0 DHAERN Cc1cc(NC(=O)/C=C/c2ccccc2)cc2sc(N)nc21 ZINC000226314264 201775121 /nfs/dbraw/zinc/77/51/21/201775121.db2.gz QBHMXEKMQNBZDX-BQYQJAHWSA-N 0 0 309.394 3.839 10 0 DHAERN c1coc(CNc2nc(Nc3cccnc3)nc3ccccc32)c1 ZINC000072260997 191088379 /nfs/dbraw/zinc/08/83/79/191088379.db2.gz UKAWDWGGSDVBAO-UHFFFAOYSA-N 0 0 317.352 3.974 10 0 DHAERN Cc1nc2ccc(C)cn2c1-c1ccn(Cc2ccccc2)n1 ZINC000084690663 192458336 /nfs/dbraw/zinc/45/83/36/192458336.db2.gz OORSNEDYAQMZLO-UHFFFAOYSA-N 0 0 302.381 3.863 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2sc(C)nc2C)C12CCCC2 ZINC000150808104 186067258 /nfs/dbraw/zinc/06/72/58/186067258.db2.gz XTVIVXZQBHXDSG-UONOGXRCSA-N 0 0 322.474 3.570 10 0 DHAERN Cc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1CCC2 ZINC000072441555 191167499 /nfs/dbraw/zinc/16/74/99/191167499.db2.gz CALKPZYGGIUHLQ-UHFFFAOYSA-N 0 0 307.441 3.733 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)cc1 ZINC000072450923 191170065 /nfs/dbraw/zinc/17/00/65/191170065.db2.gz GNEILFLMQZYGEP-UHFFFAOYSA-N 0 0 322.339 3.742 10 0 DHAERN COC(=O)c1cccc(Nc2ncnc3sc(C)c(C)c32)c1 ZINC000001291057 180853310 /nfs/dbraw/zinc/85/33/10/180853310.db2.gz OQPPFYGVWOQZNZ-UHFFFAOYSA-N 0 0 313.382 3.838 10 0 DHAERN COC(=O)c1cccc(NC(=O)/C=C/c2cccc(Cl)c2)c1 ZINC000001952263 180903918 /nfs/dbraw/zinc/90/39/18/180903918.db2.gz ZTBGPHKRUJPGDE-CMDGGOBGSA-N 0 0 315.756 3.779 10 0 DHAERN O=S1(=O)c2cc(Cl)ccc2N=NN1Cc1ccccc1 ZINC000004105285 181074331 /nfs/dbraw/zinc/07/43/31/181074331.db2.gz AIEHDQOIPDQVQP-UHFFFAOYSA-N 0 0 307.762 3.543 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1 ZINC000004281470 181092221 /nfs/dbraw/zinc/09/22/21/181092221.db2.gz ZXBJYDIEHGAALA-UHFFFAOYSA-N 0 0 309.774 3.831 10 0 DHAERN COc1cccc(-c2cc(=O)[nH]c(-c3ccc(Cl)cc3)n2)c1 ZINC000073696397 191343117 /nfs/dbraw/zinc/34/31/17/191343117.db2.gz SMNCDZKOCMLJRE-UHFFFAOYSA-N 0 0 312.756 3.766 10 0 DHAERN O=c1ccc(-c2ccco2)nn1Cc1ccc(C(F)(F)F)cc1 ZINC000005387925 181238231 /nfs/dbraw/zinc/23/82/31/181238231.db2.gz SKTODYIQLHRGAB-UHFFFAOYSA-N 0 0 320.270 3.570 10 0 DHAERN c1ccc(C[C@H](c2cccnc2)n2nnc3ccccc32)cc1 ZINC000005331713 181230281 /nfs/dbraw/zinc/23/02/81/181230281.db2.gz GEHASZZBZABRGQ-LJQANCHMSA-N 0 0 300.365 3.658 10 0 DHAERN O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1CCCO ZINC000005490833 181249169 /nfs/dbraw/zinc/24/91/69/181249169.db2.gz JASDXZHJPOLLDG-UHFFFAOYSA-N 0 0 305.377 3.565 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]1CSCc1ccccn1 ZINC000085333786 192491059 /nfs/dbraw/zinc/49/10/59/192491059.db2.gz VEYPWQAGZUXEHZ-AWEZNQCLSA-N 0 0 308.447 3.714 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)CCC(=O)c2ccc(F)c(F)c2)o1 ZINC000087104827 192623878 /nfs/dbraw/zinc/62/38/78/192623878.db2.gz GCCOJNIOTMBUMC-LLVKDONJSA-N 0 0 321.323 3.707 10 0 DHAERN c1ccc2c(c1)cccc2OCc1nc(-c2cccnc2)n[nH]1 ZINC000006000305 181304802 /nfs/dbraw/zinc/30/48/02/181304802.db2.gz YGFDCUVZNJEXOL-UHFFFAOYSA-N 0 0 302.337 3.599 10 0 DHAERN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000006047391 181307730 /nfs/dbraw/zinc/30/77/30/181307730.db2.gz LNQIXUQWVYPZFV-SECBINFHSA-N 0 0 311.403 3.618 10 0 DHAERN COc1cccc(-c2nc3c(cc(N)cc3Br)[nH]2)c1 ZINC000006297895 181327182 /nfs/dbraw/zinc/32/71/82/181327182.db2.gz JDICVAKPUUDVQS-UHFFFAOYSA-N 0 0 318.174 3.583 10 0 DHAERN Cc1cc(-n2cccn2)ccc1-c1cn([C@H](C)c2ccco2)nn1 ZINC000091468461 193060417 /nfs/dbraw/zinc/06/04/17/193060417.db2.gz VUIRYZUFMIRNDT-CQSZACIVSA-N 0 0 319.368 3.642 10 0 DHAERN CCC1CCC(NC(=O)c2ncccc2C(F)(F)F)CC1 ZINC000092265351 193182875 /nfs/dbraw/zinc/18/28/75/193182875.db2.gz YTMKGCHIHXVKRF-UHFFFAOYSA-N 0 0 300.324 3.799 10 0 DHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182717370 335002280 /nfs/dbraw/zinc/00/22/80/335002280.db2.gz VUOVHWAFSKBWKE-IAGOWNOFSA-N 0 0 324.428 3.834 10 0 DHAERN O=c1[nH]c2ccccc2n1C(c1ccccc1)c1ccccc1 ZINC000095931096 193450260 /nfs/dbraw/zinc/45/02/60/193450260.db2.gz QTQCEDYTACFULD-UHFFFAOYSA-N 0 0 300.361 3.967 10 0 DHAERN Cc1ccc(-c2nc3ccc(NC(=O)[C@@H]4CCCO4)cc3o2)cc1 ZINC000008188432 181533849 /nfs/dbraw/zinc/53/38/49/181533849.db2.gz LOMYDOXXEDXFLS-INIZCTEOSA-N 0 0 322.364 3.921 10 0 DHAERN CC[C@@H](C)Oc1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000009208560 181607820 /nfs/dbraw/zinc/60/78/20/181607820.db2.gz BPWYSAZQMIPZLB-LLVKDONJSA-N 0 0 318.398 3.584 10 0 DHAERN Cc1cc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)ncn1 ZINC000012224452 181742412 /nfs/dbraw/zinc/74/24/12/181742412.db2.gz OIFNBJPNOIBMOD-UHFFFAOYSA-N 0 0 322.343 3.920 10 0 DHAERN CCCNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000013617731 181869627 /nfs/dbraw/zinc/86/96/27/181869627.db2.gz SKEJVXAWDGZEKG-MDWZMJQESA-N 0 0 322.408 3.787 10 0 DHAERN Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(C)cc3)C2)cc1 ZINC000013675222 181876710 /nfs/dbraw/zinc/87/67/10/181876710.db2.gz IXWUIEQWLIZCLY-QGZVFWFLSA-N 0 0 309.438 3.698 10 0 DHAERN C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000013939343 181912702 /nfs/dbraw/zinc/91/27/02/181912702.db2.gz XKFRKNWAQJFJTH-CJNGLKHVSA-N 0 0 309.475 3.841 10 0 DHAERN Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c(O)c1 ZINC000015923034 182024448 /nfs/dbraw/zinc/02/44/48/182024448.db2.gz UFXJQCWUOBPNGG-LLVKDONJSA-N 0 0 305.761 3.760 10 0 DHAERN CCc1cc2c(ncnc2S[C@@H](C)C(=O)NCC(C)C)s1 ZINC000016712709 182059043 /nfs/dbraw/zinc/05/90/43/182059043.db2.gz XWGJUEYECDHPGE-JTQLQIEISA-N 0 0 323.487 3.507 10 0 DHAERN NC(=S)c1ccccc1COc1ccccc1C(F)(F)F ZINC000019231987 182110477 /nfs/dbraw/zinc/11/04/77/182110477.db2.gz IHXBEPXHKMNFNI-UHFFFAOYSA-N 0 0 311.328 3.919 10 0 DHAERN Cc1ccc(NC(=O)c2cc(F)ccc2Br)cc1N ZINC000019516188 182127453 /nfs/dbraw/zinc/12/74/53/182127453.db2.gz UBYHHIPOMGKJSB-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(Br)cc2F)cc1N ZINC000019476126 182124574 /nfs/dbraw/zinc/12/45/74/182124574.db2.gz CJPONIHVISCHPL-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Nc1ccc2oc(-c3cc(Br)ccc3F)nc2c1 ZINC000019802409 182152046 /nfs/dbraw/zinc/15/20/46/182152046.db2.gz INFKQMQNNPTAAP-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN Brc1ccc(NC2CCC3(CC2)OCCO3)cc1 ZINC000019923250 182164950 /nfs/dbraw/zinc/16/49/50/182164950.db2.gz ULMZERFPARXEKM-UHFFFAOYSA-N 0 0 312.207 3.547 10 0 DHAERN COc1c(Br)cc(Cl)cc1[C@@H](N)C(F)(F)F ZINC000019967896 182171831 /nfs/dbraw/zinc/17/18/31/182171831.db2.gz OEKAXWBINDQJLV-MRVPVSSYSA-N 0 0 318.520 3.673 10 0 DHAERN CN(CC(=O)Nc1c(N)cc(Cl)cc1Cl)c1ccccc1 ZINC000019985311 182173656 /nfs/dbraw/zinc/17/36/56/182173656.db2.gz PBDLOHXMLIVRBW-UHFFFAOYSA-N 0 0 324.211 3.651 10 0 DHAERN Brc1cccc(NC2CCC3(CC2)OCCO3)c1 ZINC000019941879 182167865 /nfs/dbraw/zinc/16/78/65/182167865.db2.gz WSHGSAABEJWBNA-UHFFFAOYSA-N 0 0 312.207 3.547 10 0 DHAERN COc1cc(Cl)c(C)cc1NC1CCC2(CC1)OCCO2 ZINC000020017875 182178890 /nfs/dbraw/zinc/17/88/90/182178890.db2.gz BESJIGFUMKRHED-UHFFFAOYSA-N 0 0 311.809 3.755 10 0 DHAERN Nc1cc(Cl)ccc1NC(=O)CSc1ccc(F)cc1 ZINC000019998386 182176008 /nfs/dbraw/zinc/17/60/08/182176008.db2.gz SQQUHFBKKMQRQO-UHFFFAOYSA-N 0 0 310.781 3.792 10 0 DHAERN Cc1ccc(-c2csc3nc(C)nc(NCCCO)c23)cc1 ZINC000020324124 182207639 /nfs/dbraw/zinc/20/76/39/182207639.db2.gz ZZRGRSODSHGEGL-UHFFFAOYSA-N 0 0 313.426 3.769 10 0 DHAERN CCc1ccc(NC(=O)c2ccc(Br)cc2)cc1N ZINC000020343297 182209952 /nfs/dbraw/zinc/20/99/52/182209952.db2.gz NGCJBBLNGAYUMQ-UHFFFAOYSA-N 0 0 319.202 3.846 10 0 DHAERN CC(C)(C)NC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505392 182225855 /nfs/dbraw/zinc/22/58/55/182225855.db2.gz HAVLJKLKHZDCNU-UHFFFAOYSA-N 0 0 309.624 3.973 10 0 DHAERN Cc1cnn([C@H](C)c2cc3cc(Br)ccc3o2)c1N ZINC000020578917 182234636 /nfs/dbraw/zinc/23/46/36/182234636.db2.gz ZNMHBAZCHYGIQM-SECBINFHSA-N 0 0 320.190 3.892 10 0 DHAERN Fc1ccccc1-n1ncc(Br)c1C(F)(F)F ZINC000020593939 182235920 /nfs/dbraw/zinc/23/59/20/182235920.db2.gz GAVIZQRKKBBZJR-UHFFFAOYSA-N 0 0 309.060 3.793 10 0 DHAERN Cc1ccc(N2C(=S)N=NC2C2CC2)c(Br)c1 ZINC000020589372 182236029 /nfs/dbraw/zinc/23/60/29/182236029.db2.gz SIWGRTSLWKYECE-UHFFFAOYSA-N 0 0 310.220 3.504 10 0 DHAERN Cc1cccc(-c2nc3ccc(NC(=O)[C@H]4CCCO4)cc3o2)c1 ZINC000021143399 182266966 /nfs/dbraw/zinc/26/69/66/182266966.db2.gz BBKUYPPNTZBWIT-MRXNPFEDSA-N 0 0 322.364 3.921 10 0 DHAERN CCO[P@@](C)(=O)Oc1ccc2c(C)c(Cl)c(=O)oc2c1 ZINC000021993304 182302576 /nfs/dbraw/zinc/30/25/76/182302576.db2.gz HNSKHOXTQXRRLA-HXUWFJFHSA-N 0 0 316.677 3.993 10 0 DHAERN O=c1cc(-c2cccc(Br)c2)[nH]c2ccccc12 ZINC000021996419 182302952 /nfs/dbraw/zinc/30/29/52/182302952.db2.gz IDFAZXJXKJWZFH-UHFFFAOYSA-N 0 0 300.155 3.958 10 0 DHAERN COc1c(O)ccc2c1CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000022062293 182306975 /nfs/dbraw/zinc/30/69/75/182306975.db2.gz BCWZIZLVBYHFES-UBQXRGRESA-N 0 0 302.414 3.618 10 0 in-man DHAERN CC[C@H](C(=S)NC(C)(C)C)N(Cc1ccccc1)C(C)=O ZINC000022130326 182309757 /nfs/dbraw/zinc/30/97/57/182309757.db2.gz PPPQGXVJQYIUQI-OAHLLOKOSA-N 0 0 306.475 3.529 10 0 DHAERN CC(C)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1 ZINC000022836169 182336821 /nfs/dbraw/zinc/33/68/21/182336821.db2.gz NMNIBGOGXHOGNZ-KBPBESRZSA-N 0 0 312.413 3.608 10 0 DHAERN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(O)c1 ZINC000023498990 182362371 /nfs/dbraw/zinc/36/23/71/182362371.db2.gz DVSNFNMJMVYNIV-SNVBAGLBSA-N 0 0 305.761 3.545 10 0 DHAERN C[C@H](Cc1cccs1)N(C)c1cncc(Br)c1 ZINC000135312726 335029415 /nfs/dbraw/zinc/02/94/15/335029415.db2.gz NWZFAKKEZXURCI-SNVBAGLBSA-N 0 0 311.248 3.973 10 0 DHAERN CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC ZINC000033317023 182704015 /nfs/dbraw/zinc/70/40/15/182704015.db2.gz CVQCQDAUWSAWKU-GXDHUFHOSA-N 0 0 321.398 3.540 10 0 DHAERN CCOC(=O)/C=C\C(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000033420704 182710074 /nfs/dbraw/zinc/71/00/74/182710074.db2.gz GBVHAJDQLOKALR-ARJAWSKDSA-N 0 0 322.575 3.705 10 0 DHAERN CC[C@@H](C)N(Cc1csc(COc2ccccc2)n1)C(C)=O ZINC000036114501 182803232 /nfs/dbraw/zinc/80/32/32/182803232.db2.gz YKTNQXFAFXWDCY-CYBMUJFWSA-N 0 0 318.442 3.869 10 0 DHAERN Cn1nc(C(C)(C)C)c(-c2cccc(Br)c2)c1N ZINC000036765962 182841836 /nfs/dbraw/zinc/84/18/36/182841836.db2.gz IBMNTUGJLANHII-UHFFFAOYSA-N 0 0 308.223 3.729 10 0 DHAERN CCS(=O)(=O)c1ccccc1N[C@H]1CCc2ccccc21 ZINC000037124548 182868770 /nfs/dbraw/zinc/86/87/70/182868770.db2.gz VBMGXFHFPJHEAG-HNNXBMFYSA-N 0 0 301.411 3.580 10 0 DHAERN COc1ccc(C(=O)Cc2ccccc2)c(Br)c1 ZINC000037444579 182894319 /nfs/dbraw/zinc/89/43/19/182894319.db2.gz CMQHOEBIEHMOHJ-UHFFFAOYSA-N 0 0 305.171 3.883 10 0 DHAERN COc1ccc(OCc2ccc(N)cc2Br)cc1 ZINC000037516110 182902766 /nfs/dbraw/zinc/90/27/66/182902766.db2.gz CTVNFOMWVSUJGR-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N(C)[C@H](C)CC ZINC000037506947 182902798 /nfs/dbraw/zinc/90/27/98/182902798.db2.gz RTWUEWKIVUZOIU-SNVBAGLBSA-N 0 0 301.228 3.531 10 0 DHAERN COc1cccc(COCc2ccc(N)cc2Br)c1 ZINC000037516153 182902939 /nfs/dbraw/zinc/90/29/39/182902939.db2.gz OTHICSHMAOFPTK-UHFFFAOYSA-N 0 0 322.202 3.757 10 0 DHAERN CCOC(=O)C1(Nc2ccc(Br)cc2)CCCC1 ZINC000037960524 182943210 /nfs/dbraw/zinc/94/32/10/182943210.db2.gz GQRYBMUUOQPQFU-UHFFFAOYSA-N 0 0 312.207 3.737 10 0 DHAERN COC(=O)[C@H](Nc1ccccc1Br)[C@H]1CC=CCC1 ZINC000037960066 182943421 /nfs/dbraw/zinc/94/34/21/182943421.db2.gz MFVRNPIPYKYQKQ-SMDDNHRTSA-N 0 0 324.218 3.759 10 0 DHAERN CCOC(=O)[C@@](CC)(NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000037973680 182946265 /nfs/dbraw/zinc/94/62/65/182946265.db2.gz GZZYHEAGJHQLNJ-ZDUSSCGKSA-N 0 0 323.742 3.660 10 0 DHAERN Brc1ccccc1C1=N[C@@H](c2ccccc2)CO1 ZINC000038600170 183003562 /nfs/dbraw/zinc/00/35/62/183003562.db2.gz VHKCPSPWIFJAKI-CQSZACIVSA-N 0 0 302.171 3.967 10 0 DHAERN CCCOC(=O)CSc1cc(C)c2cccc(OC)c2n1 ZINC000040167622 183043477 /nfs/dbraw/zinc/04/34/77/183043477.db2.gz ADKFWLZEZINFBB-UHFFFAOYSA-N 0 0 305.399 3.597 10 0 DHAERN O=C(c1ccc2ccccn21)c1ccc(Br)cc1 ZINC000040176368 183044224 /nfs/dbraw/zinc/04/42/24/183044224.db2.gz GMQPTSWZFXWLCH-UHFFFAOYSA-N 0 0 300.155 3.933 10 0 DHAERN COc1ccccc1C[C@H](O)c1ccc(Br)cc1 ZINC000040243423 183049400 /nfs/dbraw/zinc/04/94/00/183049400.db2.gz QRTNJYQTTYDDST-AWEZNQCLSA-N 0 0 307.187 3.734 10 0 DHAERN CC(C)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 ZINC000040231383 183048715 /nfs/dbraw/zinc/04/87/15/183048715.db2.gz XYUVLBWEVYWLHF-UHFFFAOYSA-N 0 0 307.397 3.823 10 0 DHAERN CCCCN(C)C(=O)Cn1c2ccccc2nc1C(C)(C)C ZINC000040239305 183048831 /nfs/dbraw/zinc/04/88/31/183048831.db2.gz STIPBLHNFSRHGO-UHFFFAOYSA-N 0 0 301.434 3.592 10 0 DHAERN Cc1ccc(Cn2c(CNC(=O)C(C)C)nc3ccccc32)cc1 ZINC000040274730 183050417 /nfs/dbraw/zinc/05/04/17/183050417.db2.gz CKYQZYIYYAPCBB-UHFFFAOYSA-N 0 0 321.424 3.665 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1cccc(OC)c1 ZINC000040295734 183052734 /nfs/dbraw/zinc/05/27/34/183052734.db2.gz AAPOVUAKQKNFJC-UHFFFAOYSA-N 0 0 323.396 3.636 10 0 DHAERN COc1ccccc1NC(=O)Cn1c(C)nc2cc(C)c(C)cc21 ZINC000040295538 183052910 /nfs/dbraw/zinc/05/29/10/183052910.db2.gz VZTOFKIYMRUBTL-UHFFFAOYSA-N 0 0 323.396 3.609 10 0 DHAERN CCOC(=O)c1sc2nc(-c3ccc(C)cc3)cn2c1C ZINC000040437599 183066850 /nfs/dbraw/zinc/06/68/50/183066850.db2.gz XMXHSYAPQFOJME-UHFFFAOYSA-N 0 0 300.383 3.856 10 0 DHAERN CCOC(=O)Cc1csc2nc(-c3ccc(CC)cc3)cn12 ZINC000040439711 183067664 /nfs/dbraw/zinc/06/76/64/183067664.db2.gz ZIPJVOKIGSYJJU-UHFFFAOYSA-N 0 0 314.410 3.731 10 0 DHAERN Cc1ccnc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)c1 ZINC000040701456 183119657 /nfs/dbraw/zinc/11/96/57/183119657.db2.gz UXGQIFJSEMAGMW-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Nc3nccs3)c2N)c1 ZINC000040704532 183119669 /nfs/dbraw/zinc/11/96/69/183119669.db2.gz VNVLZMXCKUAACJ-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN CCN(CC)c1ncnc(Nc2cccc(Cl)c2C)c1N ZINC000040701494 183119949 /nfs/dbraw/zinc/11/99/49/183119949.db2.gz HQNWXGSHUDRJSI-UHFFFAOYSA-N 0 0 305.813 3.610 10 0 DHAERN CCCCNc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040706509 183120983 /nfs/dbraw/zinc/12/09/83/183120983.db2.gz AJPPBMPPBRPHJR-UHFFFAOYSA-N 0 0 308.389 3.563 10 0 DHAERN Cc1ccc(CNc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781062 183133049 /nfs/dbraw/zinc/13/30/49/183133049.db2.gz SMMFLSCVIJWXAG-UHFFFAOYSA-N 0 0 305.385 3.723 10 0 DHAERN COc1ccc(Oc2ncnc(Nc3ccccc3C)c2N)cc1 ZINC000040781262 183133109 /nfs/dbraw/zinc/13/31/09/183133109.db2.gz PGRWOLPBQDJVDN-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Cc1ccc(Oc2ncnc(Oc3cccnc3)c2N)cc1C ZINC000040798330 183135219 /nfs/dbraw/zinc/13/52/19/183135219.db2.gz BZUMSZDSUOUSAP-UHFFFAOYSA-N 0 0 308.341 3.655 10 0 DHAERN COc1ccc(Oc2ncnc(Oc3ccc(C)cc3)c2N)cc1 ZINC000040796364 183135318 /nfs/dbraw/zinc/13/53/18/183135318.db2.gz TWCZFJRWJAQXBT-UHFFFAOYSA-N 0 0 323.352 3.960 10 0 DHAERN Nc1c(Nc2ccccc2Cl)ncnc1N1CCCCCC1 ZINC000040725505 183124950 /nfs/dbraw/zinc/12/49/50/183124950.db2.gz JCLJYPGTYZLNTQ-UHFFFAOYSA-N 0 0 317.824 3.836 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ccccn3)c2N)c1C ZINC000040755063 183129328 /nfs/dbraw/zinc/12/93/28/183129328.db2.gz YCAOTWOHPHJRBH-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc(Nc2ncnc(Oc3cccnc3)c2N)c(C)c1 ZINC000040755515 183129592 /nfs/dbraw/zinc/12/95/92/183129592.db2.gz YEIKSKHFVWCXNA-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN COc1ccccc1Oc1ncnc(N(C)c2ccccc2)c1N ZINC000040757948 183129871 /nfs/dbraw/zinc/12/98/71/183129871.db2.gz OJAVSCKTDATCAZ-UHFFFAOYSA-N 0 0 322.368 3.628 10 0 DHAERN Cc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040757749 183129935 /nfs/dbraw/zinc/12/99/35/183129935.db2.gz LLBDJUWEEYTDRF-UHFFFAOYSA-N 0 0 305.385 3.879 10 0 DHAERN COc1cc(/C=C/c2cc(OC)c(O)c(OC)c2)cc(OC)c1 ZINC000040763455 183130727 /nfs/dbraw/zinc/13/07/27/183130727.db2.gz NWBPDRBOIZARAC-AATRIKPKSA-N 0 0 316.353 3.597 10 0 DHAERN CCCCCOc1ccc(NC(=S)NC(=O)C(C)C)cc1 ZINC000040897811 183147042 /nfs/dbraw/zinc/14/70/42/183147042.db2.gz IZBYNRMDHSAAJC-UHFFFAOYSA-N 0 0 308.447 3.725 10 0 DHAERN CCc1c(-c2ccc(Br)cc2)nc2scnn12 ZINC000040963490 183152339 /nfs/dbraw/zinc/15/23/39/183152339.db2.gz WBWNIARHHDMBFR-UHFFFAOYSA-N 0 0 308.204 3.783 10 0 DHAERN Cc1ccc(NC(=O)c2cnc3c(F)cccc3c2O)c(C)c1 ZINC000041055690 183160339 /nfs/dbraw/zinc/16/03/39/183160339.db2.gz MLLCDCCWQGRCHT-UHFFFAOYSA-N 0 0 310.328 3.536 10 0 DHAERN O=C(Nc1cccc(Cl)c1)c1cnc2c(F)cccc2c1O ZINC000041055660 183160473 /nfs/dbraw/zinc/16/04/73/183160473.db2.gz ZUCWTEBIGSCYNQ-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN COC(=O)c1ccccc1Nc1ccnc2ccc(OC)cc21 ZINC000041055422 183160484 /nfs/dbraw/zinc/16/04/84/183160484.db2.gz HUQXPUNHXXMRFH-UHFFFAOYSA-N 0 0 308.337 3.774 10 0 DHAERN COc1ccc(C[C@H](CO)Cc2ccc(Cl)cc2)cc1F ZINC000041542721 183201215 /nfs/dbraw/zinc/20/12/15/183201215.db2.gz ZIHQOYLCIVKKJF-CQSZACIVSA-N 0 0 308.780 3.881 10 0 DHAERN Cn1nc(C(F)(F)F)c(-c2ccc(Cl)c(Cl)c2)c1N ZINC000041544630 183201428 /nfs/dbraw/zinc/20/14/28/183201428.db2.gz UCUXCLGHMYHFBZ-UHFFFAOYSA-N 0 0 310.106 3.995 10 0 DHAERN OC[C@H](Cc1ccc(Br)cc1)c1ccc(F)cc1 ZINC000041542926 183201472 /nfs/dbraw/zinc/20/14/72/183201472.db2.gz MMHBPXLKSFUJRH-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN Cn1cc(SCC(=O)c2cc(Cl)ccc2Cl)cn1 ZINC000042406563 183265284 /nfs/dbraw/zinc/26/52/84/183265284.db2.gz FFDLQKPOYJXTED-UHFFFAOYSA-N 0 0 301.198 3.702 10 0 DHAERN CCc1ccc(C(=O)Nc2cccc(Br)n2)s1 ZINC000042359010 183257809 /nfs/dbraw/zinc/25/78/09/183257809.db2.gz IMWANIWHNWYYPP-UHFFFAOYSA-N 0 0 311.204 3.720 10 0 DHAERN CN(Cc1csc(Br)c1)c1cc(N)cc(F)c1 ZINC000042362087 183258148 /nfs/dbraw/zinc/25/81/48/183258148.db2.gz DMODHABXSUMKQR-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN CN(Cc1csc(Br)c1)c1cccc(F)c1N ZINC000042362082 183258228 /nfs/dbraw/zinc/25/82/28/183258228.db2.gz DVLDVGBCMUZMMY-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccc(C=O)cc1 ZINC000042362766 183259124 /nfs/dbraw/zinc/25/91/24/183259124.db2.gz BBJKLGVEFYCJAD-UHFFFAOYSA-N 0 0 310.216 3.960 10 0 DHAERN CC[C@H](NC(=O)c1cc(OC)ccc1Br)C(C)C ZINC000042550726 183284086 /nfs/dbraw/zinc/28/40/86/183284086.db2.gz LRUNFHHFFUMWTH-ZDUSSCGKSA-N 0 0 314.223 3.622 10 0 DHAERN Cc1nnc(SCc2cc(Br)cs2)s1 ZINC000043687791 183380961 /nfs/dbraw/zinc/38/09/61/183380961.db2.gz DMVLJLCJMXSOFI-UHFFFAOYSA-N 0 0 307.263 3.963 10 0 DHAERN CCOC(=O)N1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000044136169 183395410 /nfs/dbraw/zinc/39/54/10/183395410.db2.gz GNZVOMHQLAKDAV-AYBZRNKSSA-N 0 0 315.413 3.607 10 0 in-vitro DHAERN Cc1cnn([C@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000105900625 194164178 /nfs/dbraw/zinc/16/41/78/194164178.db2.gz QUOKHUUNOLBPDQ-SFHVURJKSA-N 0 0 322.412 3.684 10 0 DHAERN CCOc1ccc(CN2CCc3c(nc(C(C)C)n3C)C2)cc1 ZINC000106387369 194206661 /nfs/dbraw/zinc/20/66/61/194206661.db2.gz ATCDYPBFIRLZEJ-UHFFFAOYSA-N 0 0 313.445 3.501 10 0 DHAERN CC[C@@H](C)O[C@H](C)C(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000048263713 183634379 /nfs/dbraw/zinc/63/43/79/183634379.db2.gz MKIMZSYCZFQUDP-HTQZYQBOSA-N 0 0 305.205 3.718 10 0 DHAERN COc1ccccc1/C=C1\S[C@H]2Nc3ccccc3N2C1=O ZINC000048512961 183663157 /nfs/dbraw/zinc/66/31/57/183663157.db2.gz FHNOTOHFHZEBIH-MJSCBBHESA-N 0 0 310.378 3.525 10 0 DHAERN COc1cc(F)ccc1Nc1ccc(Br)cc1N ZINC000049564540 183742310 /nfs/dbraw/zinc/74/23/10/183742310.db2.gz LTVJAGIRNCSPKB-UHFFFAOYSA-N 0 0 311.154 3.923 10 0 DHAERN COc1ccc(C[C@]2(O)CCC[C@@H](C)C2)cc1Br ZINC000049597564 183746078 /nfs/dbraw/zinc/74/60/78/183746078.db2.gz JZTHEWDBBGFZMN-ABAIWWIYSA-N 0 0 313.235 3.941 10 0 DHAERN Fc1ccc(COCCc2ccccn2)c(Br)c1 ZINC000049600820 183747470 /nfs/dbraw/zinc/74/74/70/183747470.db2.gz AROIIOMGHGJFAE-UHFFFAOYSA-N 0 0 310.166 3.743 10 0 DHAERN Nc1cc(Br)ccc1N[C@H]1CCOc2ccccc21 ZINC000051987163 183843855 /nfs/dbraw/zinc/84/38/55/183843855.db2.gz FUUIHCDUXUFTLH-ZDUSSCGKSA-N 0 0 319.202 3.967 10 0 DHAERN COc1ccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000056172890 184006644 /nfs/dbraw/zinc/00/66/44/184006644.db2.gz MWHCRWXVPJTONN-QWHCGFSZSA-N 0 0 316.376 3.512 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2cc(F)ccc2Cl)[nH]1 ZINC000057341549 184033701 /nfs/dbraw/zinc/03/37/01/184033701.db2.gz GFNVRCZAPRMUEO-UHFFFAOYSA-N 0 0 315.735 3.973 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2cccc(Cl)c2F)[nH]1 ZINC000057341548 184033854 /nfs/dbraw/zinc/03/38/54/184033854.db2.gz AKSNMHKLCXHWDQ-UHFFFAOYSA-N 0 0 315.735 3.973 10 0 DHAERN CC(C)N(C)C(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000057348172 184034812 /nfs/dbraw/zinc/03/48/12/184034812.db2.gz XMGJUSBTYAVANQ-UHFFFAOYSA-N 0 0 309.624 3.926 10 0 DHAERN Nc1cc(C(=O)OC2CCCCC2)c(Br)cc1F ZINC000061089439 184161484 /nfs/dbraw/zinc/16/14/84/184161484.db2.gz LGRXXWMOCVJATB-UHFFFAOYSA-N 0 0 316.170 3.660 10 0 DHAERN CN(C)c1nc(Cl)nc(Nc2cccc(Cl)c2Cl)n1 ZINC000061522774 184172327 /nfs/dbraw/zinc/17/23/27/184172327.db2.gz MWCLWSRMOQDLIT-UHFFFAOYSA-N 0 0 318.595 3.641 10 0 DHAERN Cc1nccn1CCNc1cc(Br)ccc1Cl ZINC000061691107 184182876 /nfs/dbraw/zinc/18/28/76/184182876.db2.gz QBAIRJVAHUPFBQ-UHFFFAOYSA-N 0 0 314.614 3.720 10 0 DHAERN C[C@@H](O)c1ccc(N(C)Cc2cccnc2)c(Br)c1 ZINC000061695421 184183528 /nfs/dbraw/zinc/18/35/28/184183528.db2.gz UMUQCCIMXYLUSL-LLVKDONJSA-N 0 0 321.218 3.534 10 0 DHAERN CCc1c(C)nn(-c2ccc([C@@H](C)O)cc2Br)c1C ZINC000061697241 184183919 /nfs/dbraw/zinc/18/39/19/184183919.db2.gz DHNOZPZRPQPNIG-LLVKDONJSA-N 0 0 323.234 3.867 10 0 DHAERN CC1(C)CCN(CC(=O)c2cccc(Br)c2)CC1 ZINC000061820715 184188397 /nfs/dbraw/zinc/18/83/97/184188397.db2.gz DBXVGNOOUSSNBT-UHFFFAOYSA-N 0 0 310.235 3.754 10 0 DHAERN Cc1ccc2c(c1)nc(-c1cccc(Br)c1N)n2C ZINC000062826623 184254658 /nfs/dbraw/zinc/25/46/58/184254658.db2.gz BFWMDLGZUXOGGC-UHFFFAOYSA-N 0 0 316.202 3.893 10 0 DHAERN Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1cc2ccccc2n1C ZINC000065394203 184334699 /nfs/dbraw/zinc/33/46/99/184334699.db2.gz JIGPJHQWXBYHRF-AWEZNQCLSA-N 0 0 306.365 3.666 10 0 DHAERN COCCCN(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000066983423 184442843 /nfs/dbraw/zinc/44/28/43/184442843.db2.gz SHVSGABZLLNAQK-AWEZNQCLSA-N 0 0 300.402 3.579 10 0 DHAERN CSc1ncc(C(=O)N[C@H](C)C(C)C)n1-c1ccc(F)cc1 ZINC000068682364 184496772 /nfs/dbraw/zinc/49/67/72/184496772.db2.gz BHXCQAJKNIBUBN-LLVKDONJSA-N 0 0 321.421 3.508 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@H]2CC[C@@H](C)C2)cc1OC ZINC000119645089 195008365 /nfs/dbraw/zinc/00/83/65/195008365.db2.gz YEBKWQMJBQIVAX-RDBSUJKOSA-N 0 0 305.418 3.707 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@@H]2CC[C@@H](C)C2)cc1OC ZINC000119645393 195008434 /nfs/dbraw/zinc/00/84/34/195008434.db2.gz YEBKWQMJBQIVAX-HZSPNIEDSA-N 0 0 305.418 3.707 10 0 DHAERN O=C(Cn1ccc2ccccc21)N1CCCC[C@@H]1c1cccnc1 ZINC000247768083 257117890 /nfs/dbraw/zinc/11/78/90/257117890.db2.gz MKJBJQDCXAOXJH-LJQANCHMSA-N 0 0 319.408 3.790 10 0 DHAERN CCCC(=O)Nc1c(C)nc(Oc2ccccc2F)nc1C ZINC000224335916 257233003 /nfs/dbraw/zinc/23/30/03/257233003.db2.gz NUYYDPGMSKEGKB-UHFFFAOYSA-N 0 0 303.337 3.763 10 0 DHAERN COc1c(Cl)cc(I)c2ncccc21 ZINC000216624228 257273774 /nfs/dbraw/zinc/27/37/74/257273774.db2.gz BOJUWHLHBJJSDR-UHFFFAOYSA-N 0 0 319.529 3.501 10 0 DHAERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194239470 335064559 /nfs/dbraw/zinc/06/45/59/335064559.db2.gz CPXUNNAZEBVLKC-PBHICJAKSA-N 0 0 315.417 3.741 10 0 DHAERN C[C@@H](Cc1cccs1)N(C)c1nccc(C(F)(F)F)n1 ZINC000301474800 132141180 /nfs/dbraw/zinc/14/11/80/132141180.db2.gz AJTXKNKTHKGMGD-VIFPVBQESA-N 0 0 301.337 3.624 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000151214317 196649454 /nfs/dbraw/zinc/64/94/54/196649454.db2.gz PBAKCSOJEDYJOZ-HUUCEWRRSA-N 0 0 320.481 3.788 10 0 DHAERN CCc1cccc(C)c1NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000151262535 196656590 /nfs/dbraw/zinc/65/65/90/196656590.db2.gz OAQZRUVDTXMZEZ-UHFFFAOYSA-N 0 0 312.417 3.692 10 0 DHAERN Cc1ccc(C(C)(C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000170860215 332889169 /nfs/dbraw/zinc/88/91/69/332889169.db2.gz LLFOFCQFQSQLPY-KRWDZBQOSA-N 0 0 309.409 3.913 10 0 DHAERN COc1ccc([C@@H](C)N[C@H](C)c2csc(C)n2)c(OC)c1 ZINC000036922122 331525763 /nfs/dbraw/zinc/52/57/63/331525763.db2.gz VDVDVNXMVYRMPO-GHMZBOCLSA-N 0 0 306.431 3.881 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC(=O)Nc3ccccc32)CC(C)(C)C1 ZINC000180576546 331573446 /nfs/dbraw/zinc/57/34/46/331573446.db2.gz ATJGFOOVSJMGIP-KGLIPLIRSA-N 0 0 314.429 3.824 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000047685818 331591584 /nfs/dbraw/zinc/59/15/84/331591584.db2.gz UPCRGCYXUAQJCI-MNOVXSKESA-N 0 0 300.349 3.693 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](C)c1cccc(OC(F)F)c1 ZINC000047685824 331591782 /nfs/dbraw/zinc/59/17/82/331591782.db2.gz UPCRGCYXUAQJCI-WDEREUQCSA-N 0 0 300.349 3.693 10 0 DHAERN O=C(/C=C\Sc1ccccc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255393982 331737960 /nfs/dbraw/zinc/73/79/60/331737960.db2.gz BUZZWOZMVXNKKX-SLWQEBJJSA-N 0 0 313.426 3.769 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000027737715 332929573 /nfs/dbraw/zinc/92/95/73/332929573.db2.gz KFLBATYPFQKGNY-VXGBXAGGSA-N 0 0 308.219 3.983 10 0 DHAERN Clc1cc(Cl)cc(CNc2cccnc2-n2cncn2)c1 ZINC000040496066 331937315 /nfs/dbraw/zinc/93/73/15/331937315.db2.gz QDBNTNSPQGSLFE-UHFFFAOYSA-N 0 0 320.183 3.581 10 0 DHAERN CC[C@@H](NC(=O)c1cccc2c1CCCN2)c1cccs1 ZINC000130226863 332023271 /nfs/dbraw/zinc/02/32/71/332023271.db2.gz IVQRAOFTKJPRAG-CQSZACIVSA-N 0 0 300.427 3.987 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)C1 ZINC000181146160 332186638 /nfs/dbraw/zinc/18/66/38/332186638.db2.gz WGNINAKQAJHXDC-GHMZBOCLSA-N 0 0 317.355 3.846 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1noc3ccccc13)[C@H](C)C2 ZINC000181245173 332188000 /nfs/dbraw/zinc/18/80/00/332188000.db2.gz YBAQMQSROZTSHE-ZUOKHONESA-N 0 0 320.392 3.728 10 0 DHAERN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@H](C)C1CC1 ZINC000110008134 332286819 /nfs/dbraw/zinc/28/68/19/332286819.db2.gz ZXASWKXQMSQYHN-LLVKDONJSA-N 0 0 318.804 3.668 10 0 DHAERN COc1cc(CN(C)C(=O)[C@H]2C[C@H]2C2CCCCC2)ccc1O ZINC000120148467 332383884 /nfs/dbraw/zinc/38/38/84/332383884.db2.gz KHRRFOZNWDRNAD-HOTGVXAUSA-N 0 0 317.429 3.576 10 0 DHAERN CCC[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000151073236 332504648 /nfs/dbraw/zinc/50/46/48/332504648.db2.gz DATUDKDRWGFORI-HBFSDRIKSA-N 0 0 315.457 3.724 10 0 DHAERN CCOCCCCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000129628951 332519671 /nfs/dbraw/zinc/51/96/71/332519671.db2.gz CCEGBYZXFQWUAF-ROUUACIJSA-N 0 0 303.446 3.846 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000151482259 332579653 /nfs/dbraw/zinc/57/96/53/332579653.db2.gz OWDTUUVNMDKLAS-CHWSQXEVSA-N 0 0 318.383 3.987 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151482318 332579688 /nfs/dbraw/zinc/57/96/88/332579688.db2.gz OWDTUUVNMDKLAS-STQMWFEESA-N 0 0 318.383 3.987 10 0 DHAERN C[C@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)c1c(Cl)cccc1Cl ZINC000151583919 332590906 /nfs/dbraw/zinc/59/09/06/332590906.db2.gz UJBKOCANUBYPAN-BREBYQMCSA-N 0 0 316.228 3.781 10 0 DHAERN CCCn1nccc1NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088349383 332627971 /nfs/dbraw/zinc/62/79/71/332627971.db2.gz HNPMUPGZYDNXLR-LBPRGKRZSA-N 0 0 304.369 3.623 10 0 DHAERN COCCCCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000047912593 332644424 /nfs/dbraw/zinc/64/44/24/332644424.db2.gz RJJLGJDTWWIEIK-AWEZNQCLSA-N 0 0 300.402 3.627 10 0 DHAERN COC[C@@H](NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1)C1CC1 ZINC000178605631 333016539 /nfs/dbraw/zinc/01/65/39/333016539.db2.gz ZJWPLRKCKFKUQF-SUMWQHHRSA-N 0 0 304.434 3.595 10 0 DHAERN CSCC[C@@H](NC(=O)[C@H](C)C(C)C)c1nc2ccccc2[nH]1 ZINC000171976603 333056492 /nfs/dbraw/zinc/05/64/92/333056492.db2.gz VZASBYPEFAXECW-IUODEOHRSA-N 0 0 319.474 3.765 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1cc(F)ccc1Cl)C2 ZINC000188978600 333059812 /nfs/dbraw/zinc/05/98/12/333059812.db2.gz NBXQZEDZDOPALI-UHFFFAOYSA-N 0 0 321.827 3.894 10 0 DHAERN CS[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000172362543 333062091 /nfs/dbraw/zinc/06/20/91/333062091.db2.gz DHFQUICIDFDCNW-NVXWUHKLSA-N 0 0 313.422 3.731 10 0 DHAERN CS[C@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000172362551 333062194 /nfs/dbraw/zinc/06/21/94/333062194.db2.gz DHFQUICIDFDCNW-RDJZCZTQSA-N 0 0 313.422 3.731 10 0 DHAERN C[C@@H](NCc1nnc(C2CC2)n1C)c1ccc(C(C)(C)C)cc1 ZINC000178452039 333138993 /nfs/dbraw/zinc/13/89/93/333138993.db2.gz JKFOMBAUOXBIEB-CYBMUJFWSA-N 0 0 312.461 3.841 10 0 DHAERN CCc1nnc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n1C ZINC000178452867 333139094 /nfs/dbraw/zinc/13/90/94/333139094.db2.gz MHALPRUUDCTSSR-ZDUSSCGKSA-N 0 0 300.450 3.526 10 0 DHAERN Cc1nscc1C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000182150831 333149758 /nfs/dbraw/zinc/14/97/58/333149758.db2.gz WNZGKJFOFDPFIM-LBPRGKRZSA-N 0 0 318.442 3.977 10 0 DHAERN CCn1cc([C@H](C)Nc2ccc(-n3ccnc3)c(Cl)c2)cn1 ZINC000183032306 333182477 /nfs/dbraw/zinc/18/24/77/333182477.db2.gz QTKRLNAESXNTHB-LBPRGKRZSA-N 0 0 315.808 3.915 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000182189261 333182996 /nfs/dbraw/zinc/18/29/96/333182996.db2.gz QCXSJPDUYUAIIY-APPDUMDISA-N 0 0 313.422 3.922 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C(C)C)nn1C)[C@H](C)C2 ZINC000182207726 333190350 /nfs/dbraw/zinc/19/03/50/333190350.db2.gz IJTHHIBEJZIDJR-ACJLOTCBSA-N 0 0 311.429 3.515 10 0 DHAERN Cc1ccsc1[C@H]([NH2+]C[C@@H](C)O)c1ccc(Cl)cc1F ZINC000182510273 335128116 /nfs/dbraw/zinc/12/81/16/335128116.db2.gz UMCMCFNMGSUVDU-QMTHXVAHSA-N 0 0 313.825 3.909 10 0 DHAERN Cc1ccsc1[C@@H]([NH2+]C[C@H](C)O)c1ccc(Cl)cc1F ZINC000182510331 335128144 /nfs/dbraw/zinc/12/81/44/335128144.db2.gz UMCMCFNMGSUVDU-HZMBPMFUSA-N 0 0 313.825 3.909 10 0 DHAERN CCn1ccnc1CNc1cc(C)c(Br)cc1F ZINC000310867935 333265412 /nfs/dbraw/zinc/26/54/12/333265412.db2.gz FALVNWQICGDHFB-UHFFFAOYSA-N 0 0 312.186 3.725 10 0 DHAERN C[C@@H](NC(=O)N(C)CC1(O)CCCCCC1)c1cccs1 ZINC000189978489 333265977 /nfs/dbraw/zinc/26/59/77/333265977.db2.gz ZMAMJSCVVDHTJA-CYBMUJFWSA-N 0 0 310.463 3.536 10 0 DHAERN CC(C)n1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000190298717 333269559 /nfs/dbraw/zinc/26/95/59/333269559.db2.gz PHDMUAREFYTTIY-JTQLQIEISA-N 0 0 309.772 3.748 10 0 DHAERN O=C(c1cccc(Cl)c1Cl)N1CCNCc2ccccc21 ZINC000062818395 333337374 /nfs/dbraw/zinc/33/73/74/333337374.db2.gz JTZIIKVZHIBGIZ-UHFFFAOYSA-N 0 0 321.207 3.743 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000040669829 333338523 /nfs/dbraw/zinc/33/85/23/333338523.db2.gz NBMLHLYGUSQKKL-QWRGUYRKSA-N 0 0 316.228 3.562 10 0 DHAERN C[C@@H](NC(=O)NC1(Cc2ccccc2)CC1)c1cccs1 ZINC000188202561 333360499 /nfs/dbraw/zinc/36/04/99/333360499.db2.gz SOYIMLGLDYGXLV-CYBMUJFWSA-N 0 0 300.427 3.884 10 0 DHAERN C[C@H](Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000021794994 333389652 /nfs/dbraw/zinc/38/96/52/333389652.db2.gz VFWVQHCLMVBSEE-NSHDSACASA-N 0 0 309.818 3.917 10 0 DHAERN CC(C)Cn1ccnc(N[C@H](C)c2cccc(Cl)c2)c1=O ZINC000061764130 333432311 /nfs/dbraw/zinc/43/23/11/333432311.db2.gz NXHVBERWFWUKRW-GFCCVEGCSA-N 0 0 305.809 3.726 10 0 DHAERN CC1(C)C[C@@H](NC(=O)NCc2ccccc2)c2ccccc2O1 ZINC000152103486 333610592 /nfs/dbraw/zinc/61/05/92/333610592.db2.gz BVUADPZTIFCBSK-MRXNPFEDSA-N 0 0 310.397 3.788 10 0 DHAERN COc1ccc(O)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000048931121 334302734 /nfs/dbraw/zinc/30/27/34/334302734.db2.gz DAJQBUINKQSAQK-JTQLQIEISA-N 0 0 305.761 3.545 10 0 DHAERN CCOC(=O)[C@@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000049367291 334326764 /nfs/dbraw/zinc/32/67/64/334326764.db2.gz VBKDMCRMROQGIR-HTQZYQBOSA-N 0 0 308.180 3.735 10 0 DHAERN C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000101626935 334337825 /nfs/dbraw/zinc/33/78/25/334337825.db2.gz YCXHLGRNOSJSPO-AWEZNQCLSA-N 0 0 305.377 3.965 10 0 DHAERN COC(=O)c1ccc(CNc2nc3ccc(Cl)cc3s2)o1 ZINC000187892921 334345101 /nfs/dbraw/zinc/34/51/01/334345101.db2.gz RJVQVNRFUKFLTH-UHFFFAOYSA-N 0 0 322.773 3.941 10 0 DHAERN Cc1ccc([C@](C)(O)CNc2nc(C)nc3scc(C)c32)o1 ZINC000125527031 334802883 /nfs/dbraw/zinc/80/28/83/334802883.db2.gz MJCBJHVQOBHFES-MRXNPFEDSA-N 0 0 317.414 3.529 10 0 DHAERN O=C([O-])[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1 ZINC000308362551 334859751 /nfs/dbraw/zinc/85/97/51/334859751.db2.gz YUFWBDITMVVTSK-VXNVDRBHSA-N 0 0 308.230 3.788 10 0 DHAERN C[C@@H](CC(=O)N1CCCc2c(N)cccc21)c1ccc(F)cc1 ZINC000126766878 334864494 /nfs/dbraw/zinc/86/44/94/334864494.db2.gz ORKMYQLWHHVZIQ-ZDUSSCGKSA-N 0 0 312.388 3.881 10 0 DHAERN Cc1ccn(C)c1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000188988909 334880064 /nfs/dbraw/zinc/88/00/64/334880064.db2.gz DMJBBXISZYOIEH-LLVKDONJSA-N 0 0 321.218 3.587 10 0 DHAERN COc1ccc(F)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000093789680 335671651 /nfs/dbraw/zinc/67/16/51/335671651.db2.gz PSAHAMWLQWVVHS-NEPJUHHUSA-N 0 0 321.298 3.855 10 0 DHAERN Cc1cncc(N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000329629493 336016611 /nfs/dbraw/zinc/01/66/11/336016611.db2.gz VBUKRCZJXKLMQV-CQSZACIVSA-N 0 0 313.792 3.656 10 0 DHAERN C[C@H](CC1CCCCC1)c1nc([C@@H]2CN3CCC[C@@H]3CO2)no1 ZINC000329703522 336060637 /nfs/dbraw/zinc/06/06/37/336060637.db2.gz IIXOJJDSZHWLGB-BMFZPTHFSA-N 0 0 319.449 3.679 10 0 DHAERN CCc1n[nH]c(=O)c(-c2nc3c(s2)C[C@@H](C)CC3)c1CC ZINC000333759953 336209697 /nfs/dbraw/zinc/20/96/97/336209697.db2.gz ZNSKZYZNENJKBP-VIFPVBQESA-N 0 0 303.431 3.555 10 0 DHAERN COc1ccccc1C(C)(C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000103299413 336239858 /nfs/dbraw/zinc/23/98/58/336239858.db2.gz YEGHFKNAWDPXKB-ZDUSSCGKSA-N 0 0 316.401 3.892 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000103382572 336241147 /nfs/dbraw/zinc/24/11/47/336241147.db2.gz FZPCIRPROSPJKE-LBPRGKRZSA-N 0 0 318.442 3.572 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000103392639 336241496 /nfs/dbraw/zinc/24/14/96/336241496.db2.gz SNNNLUVANBDWPJ-FZMZJTMJSA-N 0 0 317.351 3.801 10 0 DHAERN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)C(C)C)c1 ZINC000043066110 336244936 /nfs/dbraw/zinc/24/49/36/336244936.db2.gz PXNXWXDRMMKSPX-ZIAGYGMSSA-N 0 0 319.449 3.515 10 0 DHAERN Brc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000043678528 336270701 /nfs/dbraw/zinc/27/07/01/336270701.db2.gz ROBIAHQOOFDVPX-NWDGAFQWSA-N 0 0 316.264 3.654 10 0 DHAERN C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(Cl)s1 ZINC000043785717 336273858 /nfs/dbraw/zinc/27/38/58/336273858.db2.gz ABFXNTHNJHCGOQ-JTQLQIEISA-N 0 0 315.847 3.582 10 0 DHAERN Clc1ccc2c(c1)ncnc2N[C@@H]1CCN(c2ccccc2)C1 ZINC000301187479 336293995 /nfs/dbraw/zinc/29/39/95/336293995.db2.gz KOAXURARYQBUAZ-CQSZACIVSA-N 0 0 324.815 3.974 10 0 DHAERN Cc1nc2ccccc2nc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301210052 336295095 /nfs/dbraw/zinc/29/50/95/336295095.db2.gz VZSFWHNXROVZIJ-HNNXBMFYSA-N 0 0 304.397 3.629 10 0 DHAERN Cc1cc(NC[C@]2(O)CCCc3ccccc32)nc(C(C)C)n1 ZINC000301216177 336295273 /nfs/dbraw/zinc/29/52/73/336295273.db2.gz YZFXRGUTMIEUSA-LJQANCHMSA-N 0 0 311.429 3.544 10 0 DHAERN Cc1noc(-c2ccnc(NCCc3cc(C)cc(C)c3)c2)n1 ZINC000301329563 336300974 /nfs/dbraw/zinc/30/09/74/336300974.db2.gz CWISNZIKYPWQOZ-UHFFFAOYSA-N 0 0 308.385 3.711 10 0 DHAERN CC(C)CC[C@](C)(O)CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000301335969 336301257 /nfs/dbraw/zinc/30/12/57/336301257.db2.gz GLKVQJSPBZNJMH-INIZCTEOSA-N 0 0 324.494 3.687 10 0 DHAERN C[C@@]1(CO)CCC[C@@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000301350664 336302020 /nfs/dbraw/zinc/30/20/20/336302020.db2.gz JYHQPMISVYDPDB-BBRMVZONSA-N 0 0 308.784 3.990 10 0 DHAERN Fc1ccccc1NC1CCN(c2ccnc(C3CC3)n2)CC1 ZINC000301458811 336308074 /nfs/dbraw/zinc/30/80/74/336308074.db2.gz ZKIIDWUOMFEYKD-UHFFFAOYSA-N 0 0 312.392 3.574 10 0 DHAERN CC[C@H](Nc1ncnc2cc(Cl)ccc21)c1noc(C)n1 ZINC000301470659 336308846 /nfs/dbraw/zinc/30/88/46/336308846.db2.gz JDTJCAQUQCZEQV-NSHDSACASA-N 0 0 303.753 3.538 10 0 DHAERN COC[C@H](Nc1ccc(-c2ccc(F)cc2)nn1)c1ccco1 ZINC000301523398 336312281 /nfs/dbraw/zinc/31/22/81/336312281.db2.gz FAKIGAOKONMNRL-HNNXBMFYSA-N 0 0 313.332 3.675 10 0 DHAERN c1ccc(OCC2CCN(c3ccc4ccccc4n3)CC2)nc1 ZINC000301555038 336314493 /nfs/dbraw/zinc/31/44/93/336314493.db2.gz IHYFLJDVADRFEO-UHFFFAOYSA-N 0 0 319.408 3.925 10 0 DHAERN CCc1cc(N[C@H](c2cccs2)C(C)(C)C)n2ncnc2n1 ZINC000301587131 336316618 /nfs/dbraw/zinc/31/66/18/336316618.db2.gz WEGMDYXLYDDPOP-CQSZACIVSA-N 0 0 315.446 3.948 10 0 DHAERN C[C@H](CO[C@@H]1CCOC1)Nc1ccc2c(Cl)ccnc2c1F ZINC000301589498 336316739 /nfs/dbraw/zinc/31/67/39/336316739.db2.gz XDJREEVUGOAPSQ-GHMZBOCLSA-N 0 0 324.783 3.633 10 0 DHAERN COCC[C@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1 ZINC000301641899 336320106 /nfs/dbraw/zinc/32/01/06/336320106.db2.gz MOIXBRPNAYSCSL-HNNXBMFYSA-N 0 0 305.809 3.937 10 0 DHAERN Cc1cccc2c(N3CC[C@@H](C)[C@H](n4ccnc4)C3)cc[nH+]c12 ZINC000301663732 336321828 /nfs/dbraw/zinc/32/18/28/336321828.db2.gz KQXVIGWMDQJTGL-RDTXWAMCSA-N 0 0 306.413 3.827 10 0 DHAERN CC(=O)c1c(F)cccc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301694721 336323959 /nfs/dbraw/zinc/32/39/59/336323959.db2.gz APCMCLUIDVEKDV-UHFFFAOYSA-N 0 0 315.323 3.698 10 0 DHAERN COCc1cc(NCc2cc(C)oc2C)nc(C(C)(C)C)n1 ZINC000301772548 336328753 /nfs/dbraw/zinc/32/87/53/336328753.db2.gz FBFJEOWLASFPRN-UHFFFAOYSA-N 0 0 303.406 3.742 10 0 DHAERN C[C@H](O)[C@@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301798075 336330672 /nfs/dbraw/zinc/33/06/72/336330672.db2.gz VBAADLNTJCNHQH-WDEREUQCSA-N 0 0 308.784 3.625 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000301811163 336331576 /nfs/dbraw/zinc/33/15/76/336331576.db2.gz ZWFOCZOUYCWZPA-HZPDHXFCSA-N 0 0 312.417 3.525 10 0 DHAERN Cc1nc(Cl)cc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000301857297 336334492 /nfs/dbraw/zinc/33/44/92/336334492.db2.gz ZPXHIJANBMQEPH-CYBMUJFWSA-N 0 0 324.211 3.750 10 0 DHAERN CN(Cc1nc(-c2ccccc2)c[nH]1)c1nc2ccccc2[nH]1 ZINC000301897746 336336790 /nfs/dbraw/zinc/33/67/90/336336790.db2.gz WBVRAXLBURNTMR-UHFFFAOYSA-N 0 0 303.369 3.589 10 0 DHAERN CCc1cc(NC2CCN(c3cccc(F)c3)CC2)nc(C)n1 ZINC000302050067 336345494 /nfs/dbraw/zinc/34/54/94/336345494.db2.gz NJBXJJVKPQSQBM-UHFFFAOYSA-N 0 0 314.408 3.567 10 0 DHAERN Fc1ccccc1Cc1nnc(NCC2(C3CC3)CC2)s1 ZINC000302066825 336346664 /nfs/dbraw/zinc/34/66/64/336346664.db2.gz FKUJFMJVMNGZEF-UHFFFAOYSA-N 0 0 303.406 3.870 10 0 DHAERN CCc1ccc([C@@H](C)Nc2nccn3c2nnc3C2CC2)cc1 ZINC000302230843 336355329 /nfs/dbraw/zinc/35/53/29/336355329.db2.gz YKHRBBYSVMQEIV-GFCCVEGCSA-N 0 0 307.401 3.737 10 0 DHAERN COC(=O)c1ccc(N[C@@H](C)c2ccc(Cl)cc2)nc1OC ZINC000302308918 336357063 /nfs/dbraw/zinc/35/70/63/336357063.db2.gz OPSXHFYBNYCKOX-JTQLQIEISA-N 0 0 320.776 3.703 10 0 DHAERN CC(C)Cc1nsc(NC[C@H](O)c2ccc(Cl)s2)n1 ZINC000302310129 336357065 /nfs/dbraw/zinc/35/70/65/336357065.db2.gz SFXQJHRLWCHTMS-QMMMGPOBSA-N 0 0 317.867 3.597 10 0 DHAERN OCC[C@@H]1CCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000302478358 336359653 /nfs/dbraw/zinc/35/96/53/336359653.db2.gz VYGYEUBSCKMWLK-GZMMTYOYSA-N 0 0 308.731 3.717 10 0 DHAERN O[C@@]12CCCC[C@H]1CN(c1ccnc3c(F)cc(F)cc13)CC2 ZINC000302506634 336360308 /nfs/dbraw/zinc/36/03/08/336360308.db2.gz MXUGHSZPFYWHLW-KPZWWZAWSA-N 0 0 318.367 3.644 10 0 DHAERN Fc1cc(F)c2nccc(N[C@@H]3CCC[C@H]4OCC[C@H]43)c2c1 ZINC000302530999 336360930 /nfs/dbraw/zinc/36/09/30/336360930.db2.gz QDBBHBRMCWMUFJ-SGIREYDYSA-N 0 0 304.340 3.883 10 0 DHAERN C[C@H]1CN(c2nc(C(C)(C)C)ns2)[C@@H](c2ccccc2)CO1 ZINC000302542590 336361249 /nfs/dbraw/zinc/36/12/49/336361249.db2.gz TXRMCECZUIVMRE-GXTWGEPZSA-N 0 0 317.458 3.802 10 0 DHAERN CC(C)(C)[C@@H]1CCC[C@@H](Nc2nn3c(nccc3=O)s2)CC1 ZINC000302569083 336361901 /nfs/dbraw/zinc/36/19/01/336361901.db2.gz XYYZZMSLJIVCOX-VXGBXAGGSA-N 0 0 320.462 3.558 10 0 DHAERN Cc1noc(-c2cccnc2N(C)Cc2ccc(C)c(F)c2)n1 ZINC000302722268 336366581 /nfs/dbraw/zinc/36/65/81/336366581.db2.gz MRRWNUGBEZHRKY-UHFFFAOYSA-N 0 0 312.348 3.524 10 0 DHAERN Oc1cccc2c1CCC[C@H]2Nc1cc(N2CCCCC2)ncn1 ZINC000302730733 336367018 /nfs/dbraw/zinc/36/70/18/336367018.db2.gz SENWMQZRPNSZBJ-MRXNPFEDSA-N 0 0 324.428 3.662 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1ncnc2c(F)cccc21 ZINC000302834639 336371414 /nfs/dbraw/zinc/37/14/14/336371414.db2.gz UDHHPGWPFROYOF-KRWDZBQOSA-N 0 0 303.381 3.554 10 0 DHAERN Cc1cnc(N[C@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000302842034 336371667 /nfs/dbraw/zinc/37/16/67/336371667.db2.gz MJLKVVLGANRKFB-LLVKDONJSA-N 0 0 316.430 3.909 10 0 DHAERN Cc1cc2c(n1C)CCC[C@@H]2Nc1ncnc2c(F)cccc12 ZINC000302917199 336374328 /nfs/dbraw/zinc/37/43/28/336374328.db2.gz WSMFAQRUUUACLO-HNNXBMFYSA-N 0 0 310.376 3.905 10 0 DHAERN C[C@H](NC(=O)c1ccoc1Br)c1cccs1 ZINC000193303261 336693907 /nfs/dbraw/zinc/69/39/07/336693907.db2.gz GMZLZZGRPJDQJK-ZETCQYMHSA-N 0 0 300.177 3.595 10 0 DHAERN O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000115171404 336823011 /nfs/dbraw/zinc/82/30/11/336823011.db2.gz IKUYDPVCJJIULU-CQSZACIVSA-N 0 0 304.781 3.822 10 0 DHAERN C[C@@H](CNC(=O)N1CCC[C@H]1c1ccco1)Oc1ccccc1 ZINC000116432759 336840308 /nfs/dbraw/zinc/84/03/08/336840308.db2.gz DUQWFZDDNNYGIZ-HOCLYGCPSA-N 0 0 314.385 3.594 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(CCC(F)(F)F)c2)O1 ZINC000120547374 336915064 /nfs/dbraw/zinc/91/50/64/336915064.db2.gz PKEVKDOJBVBGBB-GXFFZTMASA-N 0 0 301.308 3.688 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)CCCOc2cccc(C)c2)o1 ZINC000023305596 336916696 /nfs/dbraw/zinc/91/66/96/336916696.db2.gz OTTLGJZWJIRCIM-OAHLLOKOSA-N 0 0 301.386 3.933 10 0 DHAERN Cc1ccc([C@@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)o1 ZINC000374224939 336984271 /nfs/dbraw/zinc/98/42/71/336984271.db2.gz ZYUFICSIWCBUOG-QXULXFAOSA-N 0 0 315.413 3.647 10 0 DHAERN CCC[C@@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C(C)C ZINC000121914159 336986396 /nfs/dbraw/zinc/98/63/96/336986396.db2.gz MHSASRQUWYZBKF-CVEARBPZSA-N 0 0 305.466 3.773 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1Cl ZINC000123058742 337034904 /nfs/dbraw/zinc/03/49/04/337034904.db2.gz GAOVYNJZXJFFQQ-ZDMBXUJBSA-N 0 0 302.201 3.738 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3ccc(F)c(Cl)c3)C2)c1 ZINC000123004678 337033826 /nfs/dbraw/zinc/03/38/26/337033826.db2.gz QGKGMXPFDQMIIO-CQSZACIVSA-N 0 0 307.800 3.821 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)c2sc(COC)nc2C)cc1 ZINC000123326126 337044648 /nfs/dbraw/zinc/04/46/48/337044648.db2.gz NUTODYADIYFJKF-LLVKDONJSA-N 0 0 318.442 3.651 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2sc(COC)nc2C)cc1 ZINC000123326341 337044680 /nfs/dbraw/zinc/04/46/80/337044680.db2.gz NUTODYADIYFJKF-NSHDSACASA-N 0 0 318.442 3.651 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000193852476 337079538 /nfs/dbraw/zinc/07/95/38/337079538.db2.gz DTSSSERTCCLRAN-NHCYSSNCSA-N 0 0 316.228 3.843 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000193838887 337079555 /nfs/dbraw/zinc/07/95/55/337079555.db2.gz OHRJASQDOPKWGL-RLFYNMQTSA-N 0 0 303.446 3.735 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)c2ccc(-n3cccc3)cc2)cs1 ZINC000170497005 337083266 /nfs/dbraw/zinc/08/32/66/337083266.db2.gz JVCKMJJGWMASLS-GFCCVEGCSA-N 0 0 311.410 3.733 10 0 DHAERN Cc1c(CNC(=O)N2CCS[C@H](C)C2)oc2ccc(F)cc12 ZINC000170879259 337083303 /nfs/dbraw/zinc/08/33/03/337083303.db2.gz NRXCUWAXQZFAQM-SNVBAGLBSA-N 0 0 322.405 3.527 10 0 DHAERN CCCn1ccc2cc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)ccc21 ZINC000171405891 337087194 /nfs/dbraw/zinc/08/71/94/337087194.db2.gz OHFALVDDLZFTKH-ZIAGYGMSSA-N 0 0 315.417 3.692 10 0 DHAERN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCS[C@H](C)C1 ZINC000171700462 337088560 /nfs/dbraw/zinc/08/85/60/337088560.db2.gz PXNOUMWXYGZYQN-KGLIPLIRSA-N 0 0 314.454 3.604 10 0 DHAERN CC(C)n1ccnc1CN1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000171966777 337090489 /nfs/dbraw/zinc/09/04/89/337090489.db2.gz PSRXYSYFRHLEQB-GJYPPUQNSA-N 0 0 313.445 3.815 10 0 DHAERN Cc1csc([C@H]2CCCN(Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013185 337090952 /nfs/dbraw/zinc/09/09/52/337090952.db2.gz NRMZOUOTJLCQGS-AWEZNQCLSA-N 0 0 304.463 3.609 10 0 DHAERN C[C@H](NC(=O)c1cnc(-c2ccncc2)s1)c1cccs1 ZINC000172717305 337130571 /nfs/dbraw/zinc/13/05/71/337130571.db2.gz LNXRWYDHHFZKMJ-JTQLQIEISA-N 0 0 315.423 3.758 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000172749367 337130854 /nfs/dbraw/zinc/13/08/54/337130854.db2.gz RJWOJLKFQQQKPN-KCQAQPDRSA-N 0 0 305.418 3.707 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)n1 ZINC000173073842 337131879 /nfs/dbraw/zinc/13/18/79/337131879.db2.gz VZBPJDTZUOKHNC-INIZCTEOSA-N 0 0 314.454 3.709 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CCCC3CCCC3)C2)c1 ZINC000173097847 337132123 /nfs/dbraw/zinc/13/21/23/337132123.db2.gz LDKKNBDFWDPMOK-QGZVFWFLSA-N 0 0 303.450 3.716 10 0 DHAERN CSc1ccc(C(=O)N[C@H](C)COCc2ccccc2)cc1 ZINC000172952160 337132624 /nfs/dbraw/zinc/13/26/24/337132624.db2.gz FWXKYJBBOOURNH-CQSZACIVSA-N 0 0 315.438 3.744 10 0 DHAERN CC(C)c1nc(C(=O)N[C@@H](C)COCc2ccccc2)cs1 ZINC000172968572 337132641 /nfs/dbraw/zinc/13/26/41/337132641.db2.gz NNRDRHMHAOSNOF-ZDUSSCGKSA-N 0 0 318.442 3.602 10 0 DHAERN C[C@H](NCc1ccc(-c2ccccc2)o1)c1nnc2n1CCCC2 ZINC000173360840 337134920 /nfs/dbraw/zinc/13/49/20/337134920.db2.gz VVGYIPSZNHIVKZ-AWEZNQCLSA-N 0 0 322.412 3.725 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3sccc3C)C2)n1 ZINC000173407028 337135048 /nfs/dbraw/zinc/13/50/48/337135048.db2.gz KFULPDDQKDLEQC-GFCCVEGCSA-N 0 0 306.456 3.841 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)n1 ZINC000173406983 337135087 /nfs/dbraw/zinc/13/50/87/337135087.db2.gz PXTASIDGEXLMDB-CYBMUJFWSA-N 0 0 304.390 3.610 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000173431464 337135272 /nfs/dbraw/zinc/13/52/72/337135272.db2.gz YCKZMSQQIAPHDQ-GFCCVEGCSA-N 0 0 304.390 3.610 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000173429262 337135374 /nfs/dbraw/zinc/13/53/74/337135374.db2.gz RUAAYYTYYIPIDY-AWEZNQCLSA-N 0 0 318.417 3.539 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000173600998 337136716 /nfs/dbraw/zinc/13/67/16/337136716.db2.gz HRSKBWYEEHEWBH-HOTGVXAUSA-N 0 0 320.481 3.611 10 0 DHAERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625792 337136944 /nfs/dbraw/zinc/13/69/44/337136944.db2.gz LZCIIZDDQTXSBB-SWLSCSKDSA-N 0 0 302.397 3.555 10 0 DHAERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625805 337137024 /nfs/dbraw/zinc/13/70/24/337137024.db2.gz LZCIIZDDQTXSBB-DOMZBBRYSA-N 0 0 302.397 3.555 10 0 DHAERN C[C@@H](NC(=O)c1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000173938263 337137690 /nfs/dbraw/zinc/13/76/90/337137690.db2.gz RGFFZANZLGCBSP-CYBMUJFWSA-N 0 0 309.344 3.502 10 0 DHAERN Cc1cccc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173948644 337137923 /nfs/dbraw/zinc/13/79/23/337137923.db2.gz MNRLDPJQOFGWHB-HNNXBMFYSA-N 0 0 305.381 3.672 10 0 DHAERN C[C@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)c1cccc(O)c1 ZINC000174721381 337143379 /nfs/dbraw/zinc/14/33/79/337143379.db2.gz JXNVKNYSUYEEKP-KBPBESRZSA-N 0 0 312.417 3.592 10 0 DHAERN Cc1c(F)cccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000175030017 337143990 /nfs/dbraw/zinc/14/39/90/337143990.db2.gz FIIIQHQARPNWRL-HNNXBMFYSA-N 0 0 300.333 3.779 10 0 DHAERN COC[C@H](NC(=O)N[C@@H](C)c1ccccc1C)c1ccc(C)o1 ZINC000175139774 337144675 /nfs/dbraw/zinc/14/46/75/337144675.db2.gz GTWNTCGVSVJBIE-HOCLYGCPSA-N 0 0 316.401 3.644 10 0 DHAERN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000175704311 337147246 /nfs/dbraw/zinc/14/72/46/337147246.db2.gz ZZVDNIXBVPRCNL-CABCVRRESA-N 0 0 317.360 3.940 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H](C)CCCC(C)C ZINC000175510607 337147819 /nfs/dbraw/zinc/14/78/19/337147819.db2.gz OXKQJKWEKRDSTN-DOTOQJQBSA-N 0 0 320.481 3.580 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1c(Cl)cccc1Cl ZINC000176147488 337150502 /nfs/dbraw/zinc/15/05/02/337150502.db2.gz KMIHEWNYQFSYAK-LBPRGKRZSA-N 0 0 308.164 3.857 10 0 DHAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000176388360 337151073 /nfs/dbraw/zinc/15/10/73/337151073.db2.gz FXKAMBUQHIRAKY-KBPBESRZSA-N 0 0 324.424 3.670 10 0 DHAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3[C@@H](C)COC[C@@H]3C)c2c1 ZINC000176889568 337153530 /nfs/dbraw/zinc/15/35/30/337153530.db2.gz QNWKTLCKJFWTDO-KBPBESRZSA-N 0 0 324.424 3.670 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cccs1)[C@@H]1COc2ccccc21 ZINC000179077578 337167024 /nfs/dbraw/zinc/16/70/24/337167024.db2.gz AHIFYGUCRQKADK-DYEKYZERSA-N 0 0 316.426 3.673 10 0 DHAERN COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3cccs3)c21 ZINC000179957088 337172897 /nfs/dbraw/zinc/17/28/97/337172897.db2.gz FRFLKQCIQFVRIJ-NSHDSACASA-N 0 0 314.410 3.658 10 0 DHAERN Cn1ncc2c1CCC[C@@H]2N[C@H](CC(C)(C)C)C(F)(F)F ZINC000181255420 337180783 /nfs/dbraw/zinc/18/07/83/337180783.db2.gz ZVJGGKZBDJQSFV-WCQYABFASA-N 0 0 303.372 3.754 10 0 DHAERN CO[C@@H](C)CCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181702679 337183904 /nfs/dbraw/zinc/18/39/04/337183904.db2.gz SQQFPDWDGXYAOO-GJZGRUSLSA-N 0 0 307.434 3.714 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000182484560 337188582 /nfs/dbraw/zinc/18/85/82/337188582.db2.gz PUHAYYJLNGZKFK-DZGCQCFKSA-N 0 0 316.445 3.789 10 0 DHAERN O=C(Nc1ccc(-c2ncco2)cc1)N[C@@H]1COc2ccccc21 ZINC000182582888 337189032 /nfs/dbraw/zinc/18/90/32/337189032.db2.gz PQWBCFVJIWCVRP-OAHLLOKOSA-N 0 0 321.336 3.597 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)O1 ZINC000182615439 337189106 /nfs/dbraw/zinc/18/91/06/337189106.db2.gz HZAMMMOKDOTYHI-TVQRCGJNSA-N 0 0 313.344 3.648 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)O1 ZINC000182615469 337189238 /nfs/dbraw/zinc/18/92/38/337189238.db2.gz HZAMMMOKDOTYHI-ZANVPECISA-N 0 0 313.344 3.648 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cn(-c3ccccc3)nc2C)o1 ZINC000183698486 337192963 /nfs/dbraw/zinc/19/29/63/337192963.db2.gz RZSMONBWGOBGQC-AWEZNQCLSA-N 0 0 324.384 3.965 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC(C)(C)C1 ZINC000184136455 337196449 /nfs/dbraw/zinc/19/64/49/337196449.db2.gz DMCQODCTXBDVFZ-IJEWVQPXSA-N 0 0 303.450 3.926 10 0 DHAERN Cc1cnc([C@H](C)CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000184060357 337196951 /nfs/dbraw/zinc/19/69/51/337196951.db2.gz RVWAEIFCQDIEAM-DFBGVHRSSA-N 0 0 306.475 3.888 10 0 DHAERN Cc1nnc(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000185322735 337205061 /nfs/dbraw/zinc/20/50/61/337205061.db2.gz ANNKKEONCMKBFX-NSHDSACASA-N 0 0 303.431 3.536 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCOc3c(F)cccc32)o1 ZINC000187827468 337268303 /nfs/dbraw/zinc/26/83/03/337268303.db2.gz AKSIKRYKDHZGBI-RISCZKNCSA-N 0 0 318.348 3.611 10 0 DHAERN CCc1ccc(CN(C(=O)[C@H]2CCCO[C@@H]2C)C2CC2)cc1 ZINC000188140513 337271104 /nfs/dbraw/zinc/27/11/04/337271104.db2.gz IUOOJSHUFYCUBQ-KDOFPFPSSA-N 0 0 301.430 3.555 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000188223916 337272309 /nfs/dbraw/zinc/27/23/09/337272309.db2.gz WPLQWFHJZGMRLC-RHSMWYFYSA-N 0 0 306.454 3.534 10 0 DHAERN CC(C)c1nsc(NCc2ccc(Br)o2)n1 ZINC000302510435 337281008 /nfs/dbraw/zinc/28/10/08/337281008.db2.gz SHFXPGUOBTYRLS-UHFFFAOYSA-N 0 0 302.197 3.629 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000189732975 337282488 /nfs/dbraw/zinc/28/24/88/337282488.db2.gz YPFXIIYMHAJAAV-MLGOLLRUSA-N 0 0 322.449 3.740 10 0 DHAERN Cc1ccn(C)c1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000190176614 337285348 /nfs/dbraw/zinc/28/53/48/337285348.db2.gz GPBSNYBTZCHKNY-INIZCTEOSA-N 0 0 324.424 3.900 10 0 DHAERN COc1ccnc(CN2CCCC[C@H]2c2ccc(C)o2)c1OC ZINC000190598941 337288493 /nfs/dbraw/zinc/28/84/93/337288493.db2.gz JGNIBYMWBHIELA-HNNXBMFYSA-N 0 0 316.401 3.727 10 0 DHAERN COCc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000192566453 337306479 /nfs/dbraw/zinc/30/64/79/337306479.db2.gz UPRCVCRPMGKESM-HNNXBMFYSA-N 0 0 300.358 3.795 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113935 337308333 /nfs/dbraw/zinc/30/83/33/337308333.db2.gz DRPQQZXZJMJSSD-HUUCEWRRSA-N 0 0 304.434 3.634 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)cc(C)c1Br ZINC000235635639 337326661 /nfs/dbraw/zinc/32/66/61/337326661.db2.gz KRFZEOJSEGLSSR-JQWIXIFHSA-N 0 0 312.207 3.572 10 0 DHAERN CCn1ncnc1CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193478252 337326762 /nfs/dbraw/zinc/32/67/62/337326762.db2.gz IPXSBGIDAQKJPE-QMMMGPOBSA-N 0 0 317.195 3.595 10 0 DHAERN CCOC(=O)C[C@@H]1C[C@H]([C@H](C)OC(=O)c2ccccc2)C1(C)C ZINC000584600363 337370729 /nfs/dbraw/zinc/37/07/29/337370729.db2.gz JJBXJRNRYCKXTL-CWRNSKLLSA-N 0 0 318.413 3.847 10 0 DHAERN CCOP(=O)(OCC)c1nc2ccc(Cl)cc2s1 ZINC000584601886 337370887 /nfs/dbraw/zinc/37/08/87/337370887.db2.gz FTILBFQXJVIMGQ-UHFFFAOYSA-N 0 0 305.723 3.841 10 0 DHAERN CCOP(=O)(OCC)c1ccc(C)cc1Br ZINC000584602135 337371078 /nfs/dbraw/zinc/37/10/78/337371078.db2.gz OQYNMYUCIXXMJY-UHFFFAOYSA-N 0 0 307.124 3.649 10 0 DHAERN CCCC[C@@H](Sc1nc(Cl)cc(Cl)n1)C(=O)OCC ZINC000584603063 337371182 /nfs/dbraw/zinc/37/11/82/337371182.db2.gz KMGOVYZCDLOKGT-MRVPVSSYSA-N 0 0 323.245 3.997 10 0 DHAERN COc1cccc(C(=O)c2nc(C)cc3cc(OC)ccc32)c1 ZINC000584605190 337371391 /nfs/dbraw/zinc/37/13/91/337371391.db2.gz DRCFATOQMJHUPN-UHFFFAOYSA-N 0 0 307.349 3.791 10 0 DHAERN FCCOc1cccc2cnc(-n3ccc4ccncc43)cc21 ZINC000584606168 337371722 /nfs/dbraw/zinc/37/17/22/337371722.db2.gz JBLZELGTSAJHQB-UHFFFAOYSA-N 0 0 307.328 3.922 10 0 DHAERN Nc1cc2nc(N)c(-c3cc(Cl)cc(Cl)c3)cc2cn1 ZINC000584616071 337372891 /nfs/dbraw/zinc/37/28/91/337372891.db2.gz ZFLOQUXPHZZLQQ-UHFFFAOYSA-N 0 0 305.168 3.768 10 0 DHAERN CC/C(=C(/CO)c1cccc(OC)c1)c1cc(OC)ccc1O ZINC000584594935 337373993 /nfs/dbraw/zinc/37/39/93/337373993.db2.gz JWMOZJLZJSJCBD-FBMGVBCBSA-N 0 0 314.381 3.723 10 0 DHAERN CC1(C)Cc2[nH]c(-c3ccncc3)c(Br)c2C(=O)C1 ZINC000584636406 337375961 /nfs/dbraw/zinc/37/59/61/337375961.db2.gz ZHAUBJVPIXMSKD-UHFFFAOYSA-N 0 0 319.202 3.994 10 0 DHAERN O=C1Nc2ccc(F)cc2O[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584626331 337376035 /nfs/dbraw/zinc/37/60/35/337376035.db2.gz KCUBYQLAHSTDNS-ZDUSSCGKSA-N 0 0 311.234 3.917 10 0 DHAERN Nc1nc(Cl)cnc1Sc1ccnc(Cl)c1Cl ZINC000584628268 337376382 /nfs/dbraw/zinc/37/63/82/337376382.db2.gz HZPXLWKOUGQKQA-UHFFFAOYSA-N 0 0 307.593 3.565 10 0 DHAERN C[C@@](O)(c1cccc(O)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000584630057 337376661 /nfs/dbraw/zinc/37/66/61/337376661.db2.gz UZTDOKIJIPAWAA-WOJBJXKFSA-N 0 0 305.377 3.827 10 0 DHAERN COCSc1ccc(Cl)cc1I ZINC000584635890 337376943 /nfs/dbraw/zinc/37/69/43/337376943.db2.gz JSGWZANPFLSQQM-UHFFFAOYSA-N 0 0 314.575 3.641 10 0 DHAERN CCCCCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584632800 337377280 /nfs/dbraw/zinc/37/72/80/337377280.db2.gz OMNJKMYLRMGATP-UHFFFAOYSA-N 0 0 316.376 3.903 10 0 DHAERN CCCCCCNC(=O)c1cc(Cl)c(C(F)(F)F)[nH]c1=O ZINC000584633109 337377399 /nfs/dbraw/zinc/37/73/99/337377399.db2.gz XGJWBOGUABGVLP-UHFFFAOYSA-N 0 0 324.730 3.770 10 0 DHAERN CC[C@H](CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)C(C)C ZINC000105851148 337386780 /nfs/dbraw/zinc/38/67/80/337386780.db2.gz KVSBOCJDXFTQKL-HZPDHXFCSA-N 0 0 305.466 3.773 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(-c3cc[nH]n3)cc2)o1 ZINC000110074163 337388726 /nfs/dbraw/zinc/38/87/26/337388726.db2.gz UQLLTPRJMWCPHA-GFCCVEGCSA-N 0 0 310.357 3.861 10 0 DHAERN COc1ccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3ccco3)c2c1 ZINC000116046111 337392224 /nfs/dbraw/zinc/39/22/24/337392224.db2.gz WVFYKIYMWOLGTL-QGZVFWFLSA-N 0 0 324.380 3.676 10 0 DHAERN Cc1nn(C)c2sc(C(=O)N3CCC[C@@H]3c3ccco3)cc12 ZINC000116043147 337392260 /nfs/dbraw/zinc/39/22/60/337392260.db2.gz VCSLHTLUXJFXEH-GFCCVEGCSA-N 0 0 315.398 3.514 10 0 DHAERN COc1ccc2[nH]cc(CC(=O)N3CCC[C@H]3c3ccco3)c2c1 ZINC000116046113 337392299 /nfs/dbraw/zinc/39/22/99/337392299.db2.gz WVFYKIYMWOLGTL-KRWDZBQOSA-N 0 0 324.380 3.676 10 0 DHAERN O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1ccco1 ZINC000116212055 337392523 /nfs/dbraw/zinc/39/25/23/337392523.db2.gz ZVPXDTMXXALPCP-INIZCTEOSA-N 0 0 323.396 3.842 10 0 DHAERN c1coc([C@H]2CCCN2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291304 337392587 /nfs/dbraw/zinc/39/25/87/337392587.db2.gz XXSVJDSSIBGLLV-GFCCVEGCSA-N 0 0 301.371 3.728 10 0 DHAERN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116418494 337392724 /nfs/dbraw/zinc/39/27/24/337392724.db2.gz KBRXMOLOMXXJOE-GXTWGEPZSA-N 0 0 304.415 3.819 10 0 DHAERN CC(C)(C)c1ncc(NC(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000116493176 337392837 /nfs/dbraw/zinc/39/28/37/337392837.db2.gz PLYRJZNVTFKWFD-CYBMUJFWSA-N 0 0 314.389 3.736 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC000119073884 337394333 /nfs/dbraw/zinc/39/43/33/337394333.db2.gz NLYGBWRZEJOKLB-INIZCTEOSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC000119073979 337394343 /nfs/dbraw/zinc/39/43/43/337394343.db2.gz NLYGBWRZEJOKLB-MRXNPFEDSA-N 0 0 317.477 3.917 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000119076167 337394363 /nfs/dbraw/zinc/39/43/63/337394363.db2.gz FLIPSDDKULXAKC-MRXNPFEDSA-N 0 0 317.477 3.825 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC000119341696 337394656 /nfs/dbraw/zinc/39/46/56/337394656.db2.gz SZUXHKKITRRUDV-MRXNPFEDSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1ccc(C(=O)N2CCC(c3nccs3)CC2)cc1C ZINC000040623385 337398656 /nfs/dbraw/zinc/39/86/56/337398656.db2.gz FDLVTEFESPVNBE-UHFFFAOYSA-N 0 0 300.427 3.780 10 0 DHAERN Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)n1 ZINC000124523362 337405857 /nfs/dbraw/zinc/40/58/57/337405857.db2.gz RWLRNSHYDFOQFE-ZDUSSCGKSA-N 0 0 323.318 3.685 10 0 DHAERN COc1ccccc1CCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000044670961 337417220 /nfs/dbraw/zinc/41/72/20/337417220.db2.gz KLTLVCYREMYRHR-UHFFFAOYSA-N 0 0 321.420 3.944 10 0 DHAERN Cc1cc(CN[C@H]2CCc3cc(Br)ccc32)no1 ZINC000044693315 337417251 /nfs/dbraw/zinc/41/72/51/337417251.db2.gz UUCZQEPUYPLIGD-AWEZNQCLSA-N 0 0 307.191 3.523 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)O1 ZINC000126804013 337417797 /nfs/dbraw/zinc/41/77/97/337417797.db2.gz DZWUFQFNCXYJMW-RHSMWYFYSA-N 0 0 302.418 3.573 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)O1 ZINC000127108127 337419256 /nfs/dbraw/zinc/41/92/56/337419256.db2.gz NRZFRGCOPHMXRV-BLLLJJGKSA-N 0 0 322.836 3.836 10 0 DHAERN COc1ccc(C)cc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000053961663 337452779 /nfs/dbraw/zinc/45/27/79/337452779.db2.gz SJKIWLQMWAOXGR-AWEZNQCLSA-N 0 0 312.369 3.649 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)c(F)c1 ZINC000053961506 337452803 /nfs/dbraw/zinc/45/28/03/337452803.db2.gz BQFFVAYGVCROBA-AWEZNQCLSA-N 0 0 300.333 3.779 10 0 DHAERN CCc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000057465895 337457909 /nfs/dbraw/zinc/45/79/09/337457909.db2.gz CVWKRNYMSJLJJO-AWEZNQCLSA-N 0 0 313.397 3.991 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)N1CCC[C@@H]1c1cccs1 ZINC000194693815 337463109 /nfs/dbraw/zinc/46/31/09/337463109.db2.gz NSDJGCJPSLECQP-UONOGXRCSA-N 0 0 314.410 3.728 10 0 DHAERN COc1ccc(Cl)c(NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194749230 337463516 /nfs/dbraw/zinc/46/35/16/337463516.db2.gz KJVUPCWRPOWUJT-CQSZACIVSA-N 0 0 318.760 3.604 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Cc1nc(-c2ccc(F)cc2)cs1 ZINC000194931981 337464309 /nfs/dbraw/zinc/46/43/09/337464309.db2.gz VOKPNQOBLJJFDG-LLVKDONJSA-N 0 0 306.406 3.652 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 ZINC000245512696 337473393 /nfs/dbraw/zinc/47/33/93/337473393.db2.gz NZOBRIAEJOETDA-BFYDXBDKSA-N 0 0 303.450 3.546 10 0 DHAERN O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000245591408 337476448 /nfs/dbraw/zinc/47/64/48/337476448.db2.gz PPDMNYHBIZNYIM-IPMKNSEASA-N 0 0 315.457 3.833 10 0 DHAERN CC(C)Sc1ccc([C@@H](C)NC(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000246089986 337510046 /nfs/dbraw/zinc/51/00/46/337510046.db2.gz VBHLXEXONSRHGE-XJKCOSOUSA-N 0 0 307.459 3.932 10 0 DHAERN C[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(F)cc1F ZINC000246201293 337520459 /nfs/dbraw/zinc/52/04/59/337520459.db2.gz PVYPXFBXQUTRSG-CSMYWGQOSA-N 0 0 323.383 3.628 10 0 DHAERN C[C@@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000068254562 337544434 /nfs/dbraw/zinc/54/44/34/337544434.db2.gz HXJNSOSLNYUCGU-BEFAXECRSA-N 0 0 323.392 3.630 10 0 DHAERN COC(=O)[C@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1cccnc1 ZINC000246698237 337554505 /nfs/dbraw/zinc/55/45/05/337554505.db2.gz XAMWLONFSNVPOK-JEBQAFNWSA-N 0 0 310.397 3.524 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(Cl)c1 ZINC000246821603 337555452 /nfs/dbraw/zinc/55/54/52/337555452.db2.gz JEOBHIRDXAVXDQ-CJYSPXJISA-N 0 0 322.836 3.514 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCCO[C@@H]2C)C1 ZINC000249393132 337570263 /nfs/dbraw/zinc/57/02/63/337570263.db2.gz GGZKKYMTRSYFNH-LHHMISFZSA-N 0 0 301.430 3.515 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)o1 ZINC000249548003 337570667 /nfs/dbraw/zinc/57/06/67/337570667.db2.gz KLOUZIZRZNRGHS-HZSPNIEDSA-N 0 0 318.392 3.644 10 0 DHAERN Cc1nc(Cc2noc([C@@H]3C[C@H]3c3ccc(C(C)C)cc3)n2)no1 ZINC000077967863 337587254 /nfs/dbraw/zinc/58/72/54/337587254.db2.gz NNORKKUFFUQDSO-LSDHHAIUSA-N 0 0 324.384 3.746 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cnn(-c3ccccc3)c2)o1 ZINC000078031367 337588642 /nfs/dbraw/zinc/58/86/42/337588642.db2.gz XZELJPNLMXWLOI-ZDUSSCGKSA-N 0 0 310.357 3.656 10 0 DHAERN CSc1ccc(C)c(C(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000078717709 337603927 /nfs/dbraw/zinc/60/39/27/337603927.db2.gz AWPPKPSPTCRJHQ-MRXNPFEDSA-N 0 0 313.422 3.971 10 0 DHAERN Cn1cc(-c2ccc(CN3CCCc4c(N)cccc43)s2)cn1 ZINC000261709546 337608954 /nfs/dbraw/zinc/60/89/54/337608954.db2.gz DMUARKREOBGSMK-UHFFFAOYSA-N 0 0 324.453 3.684 10 0 DHAERN C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCc2ccccc21 ZINC000263393226 337627540 /nfs/dbraw/zinc/62/75/40/337627540.db2.gz FUBLUADWMOPLKR-KDOFPFPSSA-N 0 0 309.409 3.983 10 0 DHAERN Cc1ccc(C2(C[NH2+]Cc3ccc(C(=O)[O-])cc3)CC2)c(C)c1 ZINC000263407079 337627920 /nfs/dbraw/zinc/62/79/20/337627920.db2.gz KGOJFWBGNMOAHT-UHFFFAOYSA-N 0 0 309.409 3.823 10 0 DHAERN O=C([O-])C1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000263408590 337628156 /nfs/dbraw/zinc/62/81/56/337628156.db2.gz KQJALAAADKMZPR-KMZOKZLKSA-N 0 0 305.393 3.695 10 0 DHAERN CCC[C@H]([NH2+]C[C@@H](C)c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000263446053 337629356 /nfs/dbraw/zinc/62/93/56/337629356.db2.gz XXODCBLZDLHKBN-MFKMUULPSA-N 0 0 303.324 3.652 10 0 DHAERN CCCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081579455 337725921 /nfs/dbraw/zinc/72/59/21/337725921.db2.gz GNTZQIFUXXRTHG-YJBOKZPZSA-N 0 0 320.481 3.924 10 0 DHAERN Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2ccccc2N)c1 ZINC000036669592 337749205 /nfs/dbraw/zinc/74/92/05/337749205.db2.gz KTYPUAACVRWLJU-LLVKDONJSA-N 0 0 304.777 3.637 10 0 DHAERN C[C@H](NC(=O)Nc1cccc(OC2CCCC2)c1)[C@H]1CCCO1 ZINC000044202861 337808508 /nfs/dbraw/zinc/80/85/08/337808508.db2.gz UXCKRCSYJKWIIY-SUMWQHHRSA-N 0 0 318.417 3.697 10 0 DHAERN COc1ccc([C@H](C)NC(=O)c2cc(C)ccc2C)cc1OC ZINC000045382666 337821492 /nfs/dbraw/zinc/82/14/92/337821492.db2.gz YNIPLUMSSMACAP-AWEZNQCLSA-N 0 0 313.397 3.812 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1Cl ZINC000088559540 337862435 /nfs/dbraw/zinc/86/24/35/337862435.db2.gz ANVIGCKMODUYOX-BXUZGUMPSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCCO1)c1c(Cl)ccc(F)c1Cl ZINC000120211026 337871546 /nfs/dbraw/zinc/87/15/46/337871546.db2.gz BURSCWISECWZPO-KWQFWETISA-N 0 0 320.191 3.879 10 0 DHAERN CC(C)Oc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000058625505 337877544 /nfs/dbraw/zinc/87/75/44/337877544.db2.gz VQPULXGNVDSIQN-INIZCTEOSA-N 0 0 312.369 3.729 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)C1(c2ccc(Cl)cc2)CC1 ZINC000058726663 337878881 /nfs/dbraw/zinc/87/88/81/337878881.db2.gz RPSCEFRGJMLNID-OAHLLOKOSA-N 0 0 313.784 3.622 10 0 DHAERN C[C@H](NC(=O)N(C)Cc1cccnc1)c1ccc(Cl)s1 ZINC000093156104 337913602 /nfs/dbraw/zinc/91/36/02/337913602.db2.gz QFKXLCPEVZTTCM-JTQLQIEISA-N 0 0 309.822 3.699 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)CCOCC(F)(F)F)c2ccccc21 ZINC000124968916 337941012 /nfs/dbraw/zinc/94/10/12/337941012.db2.gz XPDRJDFTNIDOLR-FZMZJTMJSA-N 0 0 315.335 3.710 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2cccnc2)cc1F ZINC000088479912 337995610 /nfs/dbraw/zinc/99/56/10/337995610.db2.gz KGIUCVUVOOXABS-QWHCGFSZSA-N 0 0 301.365 3.651 10 0 DHAERN C[C@@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000084743075 338004805 /nfs/dbraw/zinc/00/48/05/338004805.db2.gz OHBXUJOGQDXRQL-DOMZBBRYSA-N 0 0 309.837 3.592 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccsc2Br)o1 ZINC000449189978 338600720 /nfs/dbraw/zinc/60/07/20/338600720.db2.gz HZVYYRQCGDUOIY-MRVPVSSYSA-N 0 0 314.204 3.903 10 0 DHAERN COC(=O)c1nc(N[C@@H](C)c2ccc(C)c(F)c2)sc1C ZINC000164689813 339032441 /nfs/dbraw/zinc/03/24/41/339032441.db2.gz ZVUWMAPPWSFNDN-VIFPVBQESA-N 0 0 308.378 3.859 10 0 DHAERN Cc1ccccc1CCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000172954473 340349940 /nfs/dbraw/zinc/34/99/40/340349940.db2.gz LGVALXMWMUYJCO-KRWDZBQOSA-N 0 0 311.425 3.649 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)COCc2ccccc2)sc1C ZINC000172967159 340350266 /nfs/dbraw/zinc/35/02/66/340350266.db2.gz VANMFPMJTKJJCL-ZDUSSCGKSA-N 0 0 303.427 3.700 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000172965657 340350293 /nfs/dbraw/zinc/35/02/93/340350293.db2.gz UNYSAYVLKCXWDG-LBPRGKRZSA-N 0 0 321.779 3.814 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)nn2C)o1 ZINC000173466946 340365646 /nfs/dbraw/zinc/36/56/46/340365646.db2.gz WNYDPHLWLLNWBZ-HNNXBMFYSA-N 0 0 315.417 3.812 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cc(F)ccc1F ZINC000174341184 340386463 /nfs/dbraw/zinc/38/64/63/340386463.db2.gz GXSYUXZQCOJIKH-GFCCVEGCSA-N 0 0 320.339 3.692 10 0 DHAERN CCc1cnc(CNC(=O)N[C@H](C)c2ccc(CC)cc2)s1 ZINC000174551254 340391413 /nfs/dbraw/zinc/39/14/13/340391413.db2.gz UZDGUAOOXRFMRR-GFCCVEGCSA-N 0 0 317.458 3.828 10 0 DHAERN Cc1nc2ccccc2nc1CNc1cc(F)c(F)c(F)c1 ZINC000174892182 340398437 /nfs/dbraw/zinc/39/84/37/340398437.db2.gz GNMXAABQNFGOPC-UHFFFAOYSA-N 0 0 303.287 3.968 10 0 DHAERN COc1cc(C)c(C(=O)N[C@H](C)c2cccs2)cc1OC ZINC000176171579 340425508 /nfs/dbraw/zinc/42/55/08/340425508.db2.gz NUOSMOPQYVLNRG-LLVKDONJSA-N 0 0 305.399 3.565 10 0 DHAERN COc1cc(C)c(C(=O)N[C@@H](C)c2cccs2)cc1OC ZINC000176171565 340425554 /nfs/dbraw/zinc/42/55/54/340425554.db2.gz NUOSMOPQYVLNRG-NSHDSACASA-N 0 0 305.399 3.565 10 0 DHAERN CCC(CC)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000176469229 340427685 /nfs/dbraw/zinc/42/76/85/340427685.db2.gz XRNIUIOISCUTMT-CQSZACIVSA-N 0 0 314.433 3.669 10 0 DHAERN CC(C)c1nc(C2(NC(=O)CCC3CCC3)CCCC2)no1 ZINC000177051561 340435553 /nfs/dbraw/zinc/43/55/53/340435553.db2.gz XZYOGGNMUDXRRT-UHFFFAOYSA-N 0 0 305.422 3.659 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCOc3ncccc32)cc1 ZINC000177236275 340437945 /nfs/dbraw/zinc/43/79/45/340437945.db2.gz MQGBKGRCDYMDAJ-SJORKVTESA-N 0 0 322.408 3.734 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(c2ncnc3c(C)cccc32)C1 ZINC000177930887 340445644 /nfs/dbraw/zinc/44/56/44/340445644.db2.gz GJRFWFZIWZGERT-OAHLLOKOSA-N 0 0 321.428 3.539 10 0 DHAERN C[C@@H](NC(=O)NCCc1cc2ccccc2[nH]1)c1cccs1 ZINC000178841016 340452333 /nfs/dbraw/zinc/45/23/33/340452333.db2.gz FBABYNFWSBUMOK-GFCCVEGCSA-N 0 0 313.426 3.832 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)O1 ZINC000152552017 340491095 /nfs/dbraw/zinc/49/10/95/340491095.db2.gz YYYBNVOWDZNOLS-BXUZGUMPSA-N 0 0 320.389 3.540 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@H]2CCC[C@@H]2C)cc1OC ZINC000184665040 340494942 /nfs/dbraw/zinc/49/49/42/340494942.db2.gz VVLLCLVYMLJCIS-MELADBBJSA-N 0 0 305.418 3.707 10 0 DHAERN CC(C)c1nc(C2(NC(=O)[C@H]3C[C@]3(C)C(C)C)CCCC2)no1 ZINC000186641459 340514983 /nfs/dbraw/zinc/51/49/83/340514983.db2.gz FCRGPMLTIOMDNW-CXAGYDPISA-N 0 0 319.449 3.761 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000189441058 340536001 /nfs/dbraw/zinc/53/60/01/340536001.db2.gz AFQASXRLBPJGMH-HOCLYGCPSA-N 0 0 316.445 3.819 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000190581474 340546091 /nfs/dbraw/zinc/54/60/91/340546091.db2.gz FSZPNPOFKKLWFA-CWSCBRNRSA-N 0 0 316.228 3.986 10 0 DHAERN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@@H]1CO ZINC000223619062 340546657 /nfs/dbraw/zinc/54/66/57/340546657.db2.gz YJKNPICMKWRMEE-RNCFNFMXSA-N 0 0 317.216 3.666 10 0 DHAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCc3ccccc32)CCS1 ZINC000192425362 340567001 /nfs/dbraw/zinc/56/70/01/340567001.db2.gz DAMHVCOKFGVOHO-XJKSGUPXSA-N 0 0 304.459 3.601 10 0 DHAERN CCc1nnc(CN(Cc2ccccc2)c2cccc(C)c2)n1C ZINC000195051191 340573346 /nfs/dbraw/zinc/57/33/46/340573346.db2.gz BYTYODCHTRBKOB-UHFFFAOYSA-N 0 0 320.440 3.893 10 0 DHAERN C[C@H](NC(=O)c1nc2cccnc2s1)c1ccc(Cl)cc1 ZINC000193853402 340584461 /nfs/dbraw/zinc/58/44/61/340584461.db2.gz ISMWGRNTTUBOSO-VIFPVBQESA-N 0 0 317.801 3.836 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000194685889 340594918 /nfs/dbraw/zinc/59/49/18/340594918.db2.gz RXMWBACGHCYFNS-MPGHIAIKSA-N 0 0 319.445 3.571 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1cc(Br)cs1 ZINC000230055826 340617859 /nfs/dbraw/zinc/61/78/59/340617859.db2.gz WUPUZIIVODHQFV-KCJUWKMLSA-N 0 0 302.237 3.563 10 0 DHAERN C[C@H](NC(=O)c1cccc(Br)c1F)C1CCCC1 ZINC000235507861 340660412 /nfs/dbraw/zinc/66/04/12/340660412.db2.gz QKPWIORUQYHYEO-VIFPVBQESA-N 0 0 314.198 3.897 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)CSCc2cscn2)cc1 ZINC000123782477 340794944 /nfs/dbraw/zinc/79/49/44/340794944.db2.gz OFSLLIJRVCSGMF-GFCCVEGCSA-N 0 0 320.483 3.816 10 0 DHAERN CCCC(=O)N[C@H]1CCCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC000130626740 341034052 /nfs/dbraw/zinc/03/40/52/341034052.db2.gz OZIDVYBMZPRJLC-INIZCTEOSA-N 0 0 322.493 3.500 10 0 DHAERN C[C@H](SCc1nnc(C2CC2)n1C)c1c(F)cccc1F ZINC000130657229 341037028 /nfs/dbraw/zinc/03/70/28/341037028.db2.gz IFLMBXQYZBCPIG-VIFPVBQESA-N 0 0 309.385 3.965 10 0 DHAERN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000130658790 341037512 /nfs/dbraw/zinc/03/75/12/341037512.db2.gz VETBSRVRBKMDQA-ZANVPECISA-N 0 0 312.207 3.518 10 0 DHAERN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000130775258 341042589 /nfs/dbraw/zinc/04/25/89/341042589.db2.gz JAHNXLPAMFUESM-JQWIXIFHSA-N 0 0 312.207 3.572 10 0 DHAERN Cc1c(C(=O)N2[C@H](C)COC[C@@H]2C)oc2c1c(C)ccc2C ZINC000130833035 341048414 /nfs/dbraw/zinc/04/84/14/341048414.db2.gz WWBQHEXTJBAVIO-BETUJISGSA-N 0 0 301.386 3.607 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N2c3ccccc3OC[C@@H]2C)cc1 ZINC000072531684 341090079 /nfs/dbraw/zinc/09/00/79/341090079.db2.gz MFSAQNVLZYTIGV-UONOGXRCSA-N 0 0 311.381 3.613 10 0 DHAERN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000132394495 341121928 /nfs/dbraw/zinc/12/19/28/341121928.db2.gz DQJPFXBLSFWMAO-OWCLPIDISA-N 0 0 311.429 3.876 10 0 DHAERN CCOCCC1(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCC1 ZINC000132538880 341126759 /nfs/dbraw/zinc/12/67/59/341126759.db2.gz BFZPTYDPVMLXOC-DLBZAZTESA-N 0 0 307.478 3.916 10 0 DHAERN Cc1cc(C(=O)N(C)[C@H](C)c2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000132906387 341149025 /nfs/dbraw/zinc/14/90/25/341149025.db2.gz IALLBLGZUHEINL-LLVKDONJSA-N 0 0 304.777 3.582 10 0 DHAERN Cc1cncc(CNC(=O)N[C@@H](C)c2ccc(Cl)s2)c1 ZINC000132986415 341151147 /nfs/dbraw/zinc/15/11/47/341151147.db2.gz ZAHPEQUVGQUKED-JTQLQIEISA-N 0 0 309.822 3.665 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000133030325 341152213 /nfs/dbraw/zinc/15/22/13/341152213.db2.gz IIKXKHYVUVEOOY-GHMZBOCLSA-N 0 0 306.312 3.566 10 0 DHAERN O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C[C@H]1C1CCCCC1 ZINC000133845152 341193299 /nfs/dbraw/zinc/19/32/99/341193299.db2.gz JNBWGLZRMVDMIG-IUCAKERBSA-N 0 0 319.352 3.712 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl ZINC000076362195 341206196 /nfs/dbraw/zinc/20/61/96/341206196.db2.gz SHYOYBUDGHJUJY-PHIMTYICSA-N 0 0 316.228 3.562 10 0 DHAERN Cc1cc(Br)c(F)cc1NC(=O)C1CC(C)C1 ZINC000547437805 341213642 /nfs/dbraw/zinc/21/36/42/341213642.db2.gz NZLHSWPEYXJDAC-UHFFFAOYSA-N 0 0 300.171 3.881 10 0 DHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000076997055 341216741 /nfs/dbraw/zinc/21/67/41/341216741.db2.gz KYSPKCDTWJYYEQ-KDOFPFPSSA-N 0 0 312.413 3.721 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000077540343 341226545 /nfs/dbraw/zinc/22/65/45/341226545.db2.gz IXYQKCJGAOGJKT-BBRMVZONSA-N 0 0 306.475 3.847 10 0 DHAERN CC(C)C[C@@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000136353094 341257231 /nfs/dbraw/zinc/25/72/31/341257231.db2.gz XSQGKWMIDGLAJS-KSSFIOAISA-N 0 0 314.429 3.607 10 0 DHAERN CC(C)C[C@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000136353137 341257254 /nfs/dbraw/zinc/25/72/54/341257254.db2.gz XSQGKWMIDGLAJS-KBXCAEBGSA-N 0 0 314.429 3.607 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)C1CCC(c2ccccc2)CC1 ZINC000080430459 341273513 /nfs/dbraw/zinc/27/35/13/341273513.db2.gz JUCFVERORCXISZ-QEFXCSQDSA-N 0 0 301.430 3.596 10 0 DHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N[C@H]1COc2ccccc21 ZINC000245420598 341292685 /nfs/dbraw/zinc/29/26/85/341292685.db2.gz MXVPNLSWSUWOQG-ZQIUZPCESA-N 0 0 310.397 3.612 10 0 DHAERN CC[C@H](C)[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)CC ZINC000245690789 341309869 /nfs/dbraw/zinc/30/98/69/341309869.db2.gz ORLHHVSGRIABNG-ROIMOXLHSA-N 0 0 324.509 3.504 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000245790989 341314951 /nfs/dbraw/zinc/31/49/51/341314951.db2.gz IRHVXQLKHMUELB-OKZBNKHCSA-N 0 0 315.457 3.987 10 0 DHAERN CCCC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000245851183 341316239 /nfs/dbraw/zinc/31/62/39/341316239.db2.gz LWHCIVGIQCAITE-OIISXLGYSA-N 0 0 318.465 3.626 10 0 DHAERN CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CCS[C@@H](C)C1 ZINC000246066647 341323484 /nfs/dbraw/zinc/32/34/84/341323484.db2.gz AXQFRRKNWZQBBT-SOUVJXGZSA-N 0 0 320.502 3.964 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)[C@H]2CCCO2)o1 ZINC000246438341 341348843 /nfs/dbraw/zinc/34/88/43/341348843.db2.gz UAKJYVVBBSPZNA-CWRNSKLLSA-N 0 0 320.433 3.646 10 0 DHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246608989 341354417 /nfs/dbraw/zinc/35/44/17/341354417.db2.gz KYUVUGGPEFPJJL-UTUOFQBUSA-N 0 0 306.372 3.985 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000246630157 341354764 /nfs/dbraw/zinc/35/47/64/341354764.db2.gz WZNNECYNYFQZQN-BPQIPLTHSA-N 0 0 316.445 3.717 10 0 DHAERN C[C@H](CCc1cccn1C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246692742 341355803 /nfs/dbraw/zinc/35/58/03/341355803.db2.gz BXGFFXBRTMGINH-JLSDUUJJSA-N 0 0 302.462 3.679 10 0 DHAERN CC[C@@H](C)CS(=O)(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000246831382 341357536 /nfs/dbraw/zinc/35/75/36/341357536.db2.gz CTFZVJDHNGPFPK-VXGBXAGGSA-N 0 0 303.855 3.709 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1C[C@H]1C1CC1 ZINC000247158633 341361608 /nfs/dbraw/zinc/36/16/08/341361608.db2.gz XOHHDCYBTSOBLY-YESZJQIVSA-N 0 0 311.425 3.985 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C)[C@@H]2C)cc1 ZINC000248198015 341374649 /nfs/dbraw/zinc/37/46/49/341374649.db2.gz XSFGINBKRADIQF-DACLVMHWSA-N 0 0 301.430 3.549 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC(C)(C)C1 ZINC000248590115 341380616 /nfs/dbraw/zinc/38/06/16/341380616.db2.gz RPHGEKIAIHOJGD-PASDCYSWSA-N 0 0 307.478 3.602 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCCCC[C@H]1c1ccccc1 ZINC000253276768 341452443 /nfs/dbraw/zinc/45/24/43/341452443.db2.gz KFZFEYBNOWOYLM-SZMVWBNQSA-N 0 0 301.430 3.945 10 0 DHAERN O=C(Cc1ccccc1F)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153166309 341527933 /nfs/dbraw/zinc/52/79/33/341527933.db2.gz ZJUHSCRCUNYBKJ-QGZVFWFLSA-N 0 0 301.336 3.701 10 0 DHAERN O=C(CSCC(F)(F)F)N[C@H]1CCCc2cc(F)ccc21 ZINC000153181957 341528484 /nfs/dbraw/zinc/52/84/84/341528484.db2.gz OFLHZKUNZAOGGA-LBPRGKRZSA-N 0 0 321.339 3.615 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)NCc2cscn2)c2ccccc21 ZINC000154872113 341597250 /nfs/dbraw/zinc/59/72/50/341597250.db2.gz LJVNNMGQAVYIEX-NHYWBVRUSA-N 0 0 301.415 3.581 10 0 DHAERN C[C@H]1CCCCN1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155349791 341606517 /nfs/dbraw/zinc/60/65/17/341606517.db2.gz HIHLDTMEMGLZAF-GXTWGEPZSA-N 0 0 314.351 3.744 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1C[C@H]1C ZINC000157412298 341637739 /nfs/dbraw/zinc/63/77/39/341637739.db2.gz KTWPOVWBVODZRR-KEYYUXOJSA-N 0 0 301.434 3.904 10 0 DHAERN COC(=O)[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1C ZINC000163264811 341638488 /nfs/dbraw/zinc/63/84/88/341638488.db2.gz XLMFVMXXSWUJQV-PXAZEXFGSA-N 0 0 319.351 3.838 10 0 DHAERN CCc1ncsc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157802720 341645672 /nfs/dbraw/zinc/64/56/72/341645672.db2.gz ZFILVLDGZWCFTK-CQSZACIVSA-N 0 0 304.390 3.652 10 0 DHAERN C[C@H](NC(=O)c1cc[nH]c(=O)c1)c1ccc(-c2ccccc2)cc1 ZINC000158114203 341651689 /nfs/dbraw/zinc/65/16/89/341651689.db2.gz DADSSEDZBBTYFT-AWEZNQCLSA-N 0 0 318.376 3.533 10 0 DHAERN CC(C)(C)c1nn(Cc2ccccc2)cc1CNc1ccon1 ZINC000167789733 341726325 /nfs/dbraw/zinc/72/63/25/341726325.db2.gz BMFBXVPZJZMZFM-UHFFFAOYSA-N 0 0 310.401 3.829 10 0 DHAERN COc1ccc([C@@H](NC(=O)N2CCS[C@H](C)C2)C(C)C)cc1 ZINC000171416617 341777559 /nfs/dbraw/zinc/77/75/59/341777559.db2.gz AYYAKNQIPCWCSZ-CJNGLKHVSA-N 0 0 322.474 3.539 10 0 DHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCS[C@H](C)C1 ZINC000171566722 341780514 /nfs/dbraw/zinc/78/05/14/341780514.db2.gz FQWHOWYRFMKVDR-SECBINFHSA-N 0 0 309.431 3.926 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1cnccn1)c1ccc2ccccc2c1 ZINC000172267835 341795598 /nfs/dbraw/zinc/79/55/98/341795598.db2.gz IWVSFXSFQFNUNX-CQSZACIVSA-N 0 0 320.396 3.532 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000178465701 341955489 /nfs/dbraw/zinc/95/54/89/341955489.db2.gz GYXXVGRKJKBFCB-BBRMVZONSA-N 0 0 314.429 3.921 10 0 DHAERN CC(=O)c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109098318 518471425 /nfs/dbraw/zinc/47/14/25/518471425.db2.gz JVILVGUJMIXQLW-KBPBESRZSA-N 0 0 315.319 3.910 10 0 DHAERN C/C=C(/CC)C(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000190321039 518480184 /nfs/dbraw/zinc/48/01/84/518480184.db2.gz QXWIBZMAENPVPD-VPRWNFCTSA-N 0 0 317.458 3.830 10 0 DHAERN CC(C)CCn1cccc1CNc1nnc(-c2ccncc2)o1 ZINC000154786214 519704177 /nfs/dbraw/zinc/70/41/77/519704177.db2.gz WTMJWERJKDXWSY-UHFFFAOYSA-N 0 0 311.389 3.591 10 0 DHAERN CC(C)Oc1cccc([C@H](C)NCc2nnc(C(C)C)n2C)c1 ZINC000179679360 519783753 /nfs/dbraw/zinc/78/37/53/519783753.db2.gz PJYCSXLNHDTHEU-AWEZNQCLSA-N 0 0 316.449 3.577 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2nccs2)cc1 ZINC000130617934 519839623 /nfs/dbraw/zinc/83/96/23/519839623.db2.gz GNSRTETXCOVLMV-JKSUJKDBSA-N 0 0 314.454 3.729 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000154016661 519839652 /nfs/dbraw/zinc/83/96/52/519839652.db2.gz IRHVXQLKHMUELB-SQNIBIBYSA-N 0 0 315.457 3.987 10 0 DHAERN CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCCO[C@H]1C)C2 ZINC000190905707 519843719 /nfs/dbraw/zinc/84/37/19/519843719.db2.gz WCMWBQSZIDQMMC-YOEHRIQHSA-N 0 0 301.430 3.510 10 0 DHAERN CC(C)c1csc(CNC(=O)N[C@@H](C)c2cccs2)n1 ZINC000177760295 519853994 /nfs/dbraw/zinc/85/39/94/519853994.db2.gz ZHHCCUKYFQXUPU-JTQLQIEISA-N 0 0 309.460 3.888 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2Cc2c(F)cccc2F)no1 ZINC000127880368 519868494 /nfs/dbraw/zinc/86/84/94/519868494.db2.gz MBENNHHEFUCWNO-CQSZACIVSA-N 0 0 307.344 3.808 10 0 DHAERN CCN(C)C(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182620875 520202734 /nfs/dbraw/zinc/20/27/34/520202734.db2.gz TYDBZFBGUFMFMM-OCCSQVGLSA-N 0 0 316.228 3.939 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1ccoc1Cl ZINC000192303578 520511612 /nfs/dbraw/zinc/51/16/12/520511612.db2.gz GOIPCMCQAAMIQW-CQSZACIVSA-N 0 0 319.788 3.925 10 0 DHAERN CC1(C)C[C@H](NC(=O)CC[C@@H]2CCCCO2)c2ccccc2O1 ZINC000121648160 520547218 /nfs/dbraw/zinc/54/72/18/520547218.db2.gz DUXSCWMWLLNJNM-HOCLYGCPSA-N 0 0 317.429 3.754 10 0 DHAERN CCC[C@@H](NC(=O)[C@@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000103392818 520743885 /nfs/dbraw/zinc/74/38/85/520743885.db2.gz SNYLZGNHMZGJLG-SMDDNHRTSA-N 0 0 317.351 3.945 10 0 DHAERN CC1CCN(c2cccc(NC(=O)[C@H]3CCCO[C@H]3C)c2)CC1 ZINC000187954932 521046028 /nfs/dbraw/zinc/04/60/28/521046028.db2.gz AIPMXCIODSBGBL-YJBOKZPZSA-N 0 0 316.445 3.677 10 0 DHAERN CCOc1ccccc1CSCc1nnc(C(C)C)n1C ZINC000182346289 521507393 /nfs/dbraw/zinc/50/73/93/521507393.db2.gz SENNHIPBONGVNY-UHFFFAOYSA-N 0 0 305.447 3.771 10 0 DHAERN CCCc1nc(CSCc2nnc(C(C)C)n2C)cs1 ZINC000182349944 521523240 /nfs/dbraw/zinc/52/32/40/521523240.db2.gz OXUZKIXXEWYFKD-UHFFFAOYSA-N 0 0 310.492 3.781 10 0 DHAERN CCOC(C)(C)CNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000187612070 521622743 /nfs/dbraw/zinc/62/27/43/521622743.db2.gz CKHAKOPBOXHWDR-AWEZNQCLSA-N 0 0 308.422 3.640 10 0 DHAERN CCOC1CC(CCNC(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000189651063 521642613 /nfs/dbraw/zinc/64/26/13/521642613.db2.gz PNUSZODTZZHZTJ-FHERZECASA-N 0 0 304.434 3.560 10 0 DHAERN CCC1(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CCCC1 ZINC000155638744 521669287 /nfs/dbraw/zinc/66/92/87/521669287.db2.gz XNDVEGCYIYOAEU-ZDUSSCGKSA-N 0 0 305.418 3.851 10 0 DHAERN CCOCCC1(CNC(=O)[C@@H](C)c2ccc(OC)cc2)CCC1 ZINC000132797996 521688435 /nfs/dbraw/zinc/68/84/35/521688435.db2.gz QFRVOBCPHNHFJA-HNNXBMFYSA-N 0 0 319.445 3.512 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000174505666 522176068 /nfs/dbraw/zinc/17/60/68/522176068.db2.gz AWLKPMFUONDVHS-LLVKDONJSA-N 0 0 320.776 3.748 10 0 DHAERN COc1cc(CCNC(=O)N[C@H](C)c2ccc(C)o2)ccc1C ZINC000154548501 522333135 /nfs/dbraw/zinc/33/31/35/522333135.db2.gz VACSQNQGQDKVMX-CQSZACIVSA-N 0 0 316.401 3.508 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1cccc(F)c1 ZINC000188132137 522518302 /nfs/dbraw/zinc/51/83/02/522518302.db2.gz NHKYQMPRHNNPOF-HUUCEWRRSA-N 0 0 302.397 3.555 10 0 DHAERN COC[C@H](C)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000103362734 522548385 /nfs/dbraw/zinc/54/83/85/522548385.db2.gz APIBYJQCEHSPIR-XHDPSFHLSA-N 0 0 321.467 3.566 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000103358126 522554931 /nfs/dbraw/zinc/55/49/31/522554931.db2.gz OTSBOIJVEXBWQW-LBPRGKRZSA-N 0 0 304.415 3.648 10 0 DHAERN COCC1=CCN(C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000188190897 522916500 /nfs/dbraw/zinc/91/65/00/522916500.db2.gz QKAVEKGJXFLBSQ-OAHLLOKOSA-N 0 0 324.424 3.889 10 0 DHAERN COCc1noc([C@H](C)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000183008073 523274700 /nfs/dbraw/zinc/27/47/00/523274700.db2.gz OSTXHSMYBYKDHR-OLZOCXBDSA-N 0 0 311.385 3.781 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)CCCOC)o1 ZINC000182993979 524035114 /nfs/dbraw/zinc/03/51/14/524035114.db2.gz KUHOLLVNXJNXID-ZBFHGGJFSA-N 0 0 307.434 3.958 10 0 DHAERN C[C@@H](CC(=O)N1CCCc2c(N)cccc21)c1ccccc1F ZINC000237331767 524353298 /nfs/dbraw/zinc/35/32/98/524353298.db2.gz JBBBRFGHUHUXNF-ZDUSSCGKSA-N 0 0 312.388 3.881 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)CCS1 ZINC000174016761 524514066 /nfs/dbraw/zinc/51/40/66/524514066.db2.gz CSFKFVIYIFOKRY-JTQLQIEISA-N 0 0 318.364 3.761 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)O1 ZINC000157524017 524563283 /nfs/dbraw/zinc/56/32/83/524563283.db2.gz JVHIFGSAQVABIP-BZNIZROVSA-N 0 0 307.365 3.653 10 0 DHAERN Cc1cccc(N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)n1 ZINC000157325399 524563470 /nfs/dbraw/zinc/56/34/70/524563470.db2.gz XVUCLQIJBVPSKO-CYBMUJFWSA-N 0 0 317.458 3.722 10 0 DHAERN Cc1ccc(C[C@@H](C)C(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000181901121 524651703 /nfs/dbraw/zinc/65/17/03/524651703.db2.gz WJGDHNSKAZUMFC-CRAIPNDOSA-N 0 0 311.429 3.651 10 0 DHAERN Cc1cc(CNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)on1 ZINC000127769522 524742230 /nfs/dbraw/zinc/74/22/30/524742230.db2.gz LCWPCVOKEFVPIE-CQSZACIVSA-N 0 0 300.402 3.601 10 0 DHAERN Cc1cccc([C@@H](NCc2nnc(C3CC3)n2C)C(C)(C)C)c1 ZINC000180787691 524839347 /nfs/dbraw/zinc/83/93/47/524839347.db2.gz WWNJVNKLZGFIQH-QGZVFWFLSA-N 0 0 312.461 3.878 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000189170399 525015791 /nfs/dbraw/zinc/01/57/91/525015791.db2.gz JXNVPTBUQRSMAB-BXUZGUMPSA-N 0 0 315.335 3.935 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000189184870 525016999 /nfs/dbraw/zinc/01/69/99/525016999.db2.gz WKTFMNFOUACUAN-BXUZGUMPSA-N 0 0 315.335 3.935 10 0 DHAERN Cc1ccccc1C1CCN(C(=O)[C@H]2CCCO[C@@H]2C)CC1 ZINC000191398292 525089478 /nfs/dbraw/zinc/08/94/78/525089478.db2.gz MIYWWAHGQDEAPZ-QAPCUYQASA-N 0 0 301.430 3.516 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000176329056 525128480 /nfs/dbraw/zinc/12/84/80/525128480.db2.gz WGVRWXTVWPCVPY-CQSZACIVSA-N 0 0 314.389 3.870 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c(Br)c1 ZINC000190575672 525202587 /nfs/dbraw/zinc/20/25/87/525202587.db2.gz YBVSEDYYOLUSOR-GHMZBOCLSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000185115645 525212815 /nfs/dbraw/zinc/21/28/15/525212815.db2.gz GYZFJWYLXXBJKL-QPUJVOFHSA-N 0 0 321.726 3.656 10 0 DHAERN COc1ccc([C@H](C)N[C@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163665 525333369 /nfs/dbraw/zinc/33/33/69/525333369.db2.gz WMDKOIJUKXEJOF-QWHCGFSZSA-N 0 0 316.401 3.967 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)NCCc1ccc(Cl)nc1 ZINC000123510914 525411077 /nfs/dbraw/zinc/41/10/77/525411077.db2.gz LSQYDFIMDGWEBY-ZDUSSCGKSA-N 0 0 317.820 3.646 10 0 DHAERN C[C@H](NCc1nc(C2CC2)no1)c1ccccc1Br ZINC000181568418 525486769 /nfs/dbraw/zinc/48/67/69/525486769.db2.gz AFBMCRCDSBLAHQ-VIFPVBQESA-N 0 0 322.206 3.560 10 0 DHAERN Cc1c(-c2nc(-c3ccc4c(c3)CCO4)no2)cnn1C(C)(C)C ZINC000154830991 525511560 /nfs/dbraw/zinc/51/15/60/525511560.db2.gz KQYGMDHLJAURHC-UHFFFAOYSA-N 0 0 324.384 3.598 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000188506395 525555267 /nfs/dbraw/zinc/55/52/67/525555267.db2.gz FRZJMCMRVXPRHS-BBRMVZONSA-N 0 0 319.426 3.685 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000191243883 525557540 /nfs/dbraw/zinc/55/75/40/525557540.db2.gz NJSDYPFTOFLAMU-YUTCNCBUSA-N 0 0 315.335 3.564 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000191641239 525561205 /nfs/dbraw/zinc/56/12/05/525561205.db2.gz HISMQZIXWAPEKT-XJKSGUPXSA-N 0 0 312.369 3.628 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccoc3)n2)o1 ZINC000156107391 525697154 /nfs/dbraw/zinc/69/71/54/525697154.db2.gz ZTWBQZOPAZTCMY-LLVKDONJSA-N 0 0 316.382 3.724 10 0 DHAERN Cc1ccc([C@@H](C)NCC(=O)Nc2sc(C)c(C)c2C)o1 ZINC000182573833 525722085 /nfs/dbraw/zinc/72/20/85/525722085.db2.gz QKBYSBVCYGCRAN-GFCCVEGCSA-N 0 0 306.431 3.864 10 0 DHAERN CS[C@@H](C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129717012 525780331 /nfs/dbraw/zinc/78/03/31/525780331.db2.gz CPSHYSYYKSCLEM-GXTWGEPZSA-N 0 0 305.443 3.691 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ccncc2C)o1 ZINC000188246086 525799485 /nfs/dbraw/zinc/79/94/85/525799485.db2.gz LFXDFQGTJPFCBO-INIZCTEOSA-N 0 0 313.401 3.728 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccnc(F)c2F)o1 ZINC000193568029 525996951 /nfs/dbraw/zinc/99/69/51/525996951.db2.gz DVNNUYGXFDRFPP-GFCCVEGCSA-N 0 0 306.312 3.629 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(Cl)c(C)c3)C2)c1 ZINC000128889202 526266112 /nfs/dbraw/zinc/26/61/12/526266112.db2.gz UTBGNAXRDYXVCN-OAHLLOKOSA-N 0 0 317.820 3.631 10 0 DHAERN O=C(C1CCCCCC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154100686 526301575 /nfs/dbraw/zinc/30/15/75/526301575.db2.gz ZBSABEOBBBLMLU-CVEARBPZSA-N 0 0 305.418 3.665 10 0 DHAERN Cc1csc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000151050980 526353412 /nfs/dbraw/zinc/35/34/12/526353412.db2.gz IETNUTGUXYCCDN-JKSUJKDBSA-N 0 0 314.454 3.995 10 0 DHAERN Cc1csc([C@H]2CN(C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036024 526444155 /nfs/dbraw/zinc/44/41/55/526444155.db2.gz KKCOZYYDUDUJME-WMLDXEAASA-N 0 0 316.470 3.704 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000171833428 526560813 /nfs/dbraw/zinc/56/08/13/526560813.db2.gz VFQCKEMZSDYZPB-RYQLBKOJSA-N 0 0 322.408 3.613 10 0 DHAERN O=C(c1cc2ccccc2s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898110 526642533 /nfs/dbraw/zinc/64/25/33/526642533.db2.gz GWGIOKKIGYJKAW-CQSZACIVSA-N 0 0 311.410 3.992 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2C[C@H]2c2cccnc2)n1 ZINC000299751346 526741081 /nfs/dbraw/zinc/74/10/81/526741081.db2.gz QLWPPQFJYIZJKO-XQLPTFJDSA-N 0 0 313.401 3.654 10 0 DHAERN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1C[C@@H]1C ZINC000191144081 526844400 /nfs/dbraw/zinc/84/44/00/526844400.db2.gz WOABEABSLREMLY-UFBFGSQYSA-N 0 0 324.302 3.807 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1C ZINC000180291552 526903813 /nfs/dbraw/zinc/90/38/13/526903813.db2.gz YAFTWCKPAFCLSQ-CYBMUJFWSA-N 0 0 319.430 3.849 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2NC(c1ccccc1)c1ccccc1 ZINC000180933154 527187546 /nfs/dbraw/zinc/18/75/46/527187546.db2.gz HOLPKWFXVGJGMF-SFHVURJKSA-N 0 0 318.424 3.801 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cc2ccccc2s1 ZINC000188228310 527188304 /nfs/dbraw/zinc/18/83/04/527188304.db2.gz DCYUKTPQTNDERR-FZMZJTMJSA-N 0 0 312.442 3.987 10 0 DHAERN O=C(Cc1cccs1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128381106 527302438 /nfs/dbraw/zinc/30/24/38/527302438.db2.gz DTTSVZFINBGBQY-ZDUSSCGKSA-N 0 0 313.344 3.580 10 0 DHAERN O=C(Nc1ccnc(Cl)c1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000181870224 527453762 /nfs/dbraw/zinc/45/37/62/527453762.db2.gz BFBSNVIJQFDKDD-BDAKNGLRSA-N 0 0 321.730 3.978 10 0 DHAERN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000156493444 527489565 /nfs/dbraw/zinc/48/95/65/527489565.db2.gz MHPOGZOBSLUASZ-OLZOCXBDSA-N 0 0 315.339 3.600 10 0 DHAERN O=C(/C=C/c1ccc(O)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000180085567 527614829 /nfs/dbraw/zinc/61/48/29/527614829.db2.gz JGUCDMFWBBMJHV-RZIFZGNASA-N 0 0 314.410 3.616 10 0 DHAERN O[C@@H]1Cc2ccccc2[C@@H]1Nc1ccnc2c(F)cc(F)cc12 ZINC000158114678 527679198 /nfs/dbraw/zinc/67/91/98/527679198.db2.gz JINRMBBUQQCBPG-AEFFLSMTSA-N 0 0 312.319 3.583 10 0 DHAERN CC[C@H]1CC[C@@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)O1 ZINC000299752448 529249645 /nfs/dbraw/zinc/24/96/45/529249645.db2.gz UDSMGRADAWQYAR-YHUYYLMFSA-N 0 0 314.385 3.945 10 0 DHAERN CCOC(=O)c1sc(Br)cc1CC(F)(F)F ZINC000675057848 563910263 /nfs/dbraw/zinc/91/02/63/563910263.db2.gz KWOXBRPIGCZAAJ-UHFFFAOYSA-N 0 0 317.126 3.792 10 0 DHAERN Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C ZINC000226275748 563913635 /nfs/dbraw/zinc/91/36/35/563913635.db2.gz XRBNEHKOTPENKL-LBPRGKRZSA-N 0 0 314.351 3.899 10 0 DHAERN Brc1sccc1[C@H]1NCCc2sccc21 ZINC000707028097 568414347 /nfs/dbraw/zinc/41/43/47/568414347.db2.gz NBNRJPRZIPMYTH-JTQLQIEISA-N 0 0 300.246 3.807 10 0 DHAERN COc1cc(CCc2ccc3c(c2)OCO3)nc2ccccc21 ZINC000000900158 560179561 /nfs/dbraw/zinc/17/95/61/560179561.db2.gz RIXOVHWIYRZQDC-UHFFFAOYSA-N 0 0 307.349 3.757 10 0 biogenic,in-vitro DHAERN CCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 ZINC000071790581 563501221 /nfs/dbraw/zinc/50/12/21/563501221.db2.gz IRHDIKZMAVDYQP-HNNXBMFYSA-N 0 0 303.402 3.543 10 0 DHAERN COc1ccccc1C(=O)Nc1c(C)[nH]nc1-c1ccsc1 ZINC000034796518 563324408 /nfs/dbraw/zinc/32/44/08/563324408.db2.gz FOBGMRSSTNDHIT-UHFFFAOYSA-N 0 0 313.382 3.708 10 0 DHAERN CCOCC1CCN(Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000097376412 563339474 /nfs/dbraw/zinc/33/94/74/563339474.db2.gz BPRLLVQNJDSVIN-UHFFFAOYSA-N 0 0 322.396 3.719 10 0 DHAERN CCc1cc([C@H]2CCCN2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666997 563485917 /nfs/dbraw/zinc/48/59/17/563485917.db2.gz XYMAMFGVUPSRQN-QGZVFWFLSA-N 0 0 316.401 3.591 10 0 DHAERN CCc1cc([C@@H]2CCCN2Cc2cc(OC)cc(OC)c2)on1 ZINC000064666995 563486051 /nfs/dbraw/zinc/48/60/51/563486051.db2.gz XYMAMFGVUPSRQN-KRWDZBQOSA-N 0 0 316.401 3.591 10 0 DHAERN O=C1CC[C@]2(CCCO2)CCN1Cc1cccc2ccccc21 ZINC000071552238 563499953 /nfs/dbraw/zinc/49/99/53/563499953.db2.gz QBCDZFJUYBYGAA-HXUWFJFHSA-N 0 0 309.409 3.902 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CN(C)[C@@H](C)c2ccncn2)cc1C ZINC000072436747 563595669 /nfs/dbraw/zinc/59/56/69/563595669.db2.gz LYSGRFINOBXIDA-HNNXBMFYSA-N 0 0 321.428 3.677 10 0 DHAERN Clc1cccc(CNCc2sncc2Br)c1 ZINC000669379662 563870048 /nfs/dbraw/zinc/87/00/48/563870048.db2.gz HXRPRCMEJRNTOG-UHFFFAOYSA-N 0 0 317.639 3.849 10 0 DHAERN Cc1cc(-c2ccc(/C=C\C(N)=O)o2)ccc1Br ZINC000352064356 563877274 /nfs/dbraw/zinc/87/72/74/563877274.db2.gz LXVLFILMLMOKAY-DAXSKMNVSA-N 0 0 306.159 3.516 10 0 DHAERN CC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccccc1F ZINC000036095355 563893036 /nfs/dbraw/zinc/89/30/36/563893036.db2.gz BISSIJAJHCIKLR-QGZVFWFLSA-N 0 0 317.404 3.607 10 0 DHAERN Ic1n[nH]c(C2CCC2)c1-c1ccccc1 ZINC000675077140 563911123 /nfs/dbraw/zinc/91/11/23/563911123.db2.gz YRQBARLXZOWAGR-UHFFFAOYSA-N 0 0 324.165 3.949 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000226260685 563913167 /nfs/dbraw/zinc/91/31/67/563913167.db2.gz UXWOUKDICURKIG-UHFFFAOYSA-N 0 0 311.429 3.885 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@H]2C)cc1 ZINC000226284981 563913669 /nfs/dbraw/zinc/91/36/69/563913669.db2.gz MIVZUFICAOUDEG-GFCCVEGCSA-N 0 0 314.351 3.981 10 0 DHAERN COc1cc(C=O)cc(CSC)c1OC(=O)c1ccccc1 ZINC000226288705 563913703 /nfs/dbraw/zinc/91/37/03/563913703.db2.gz FLQQLYCXVCLQNH-UHFFFAOYSA-N 0 0 316.378 3.590 10 0 DHAERN Cc1cccc([N+](=O)[O-])c1NC(=O)/C=C/c1cccc(F)c1 ZINC000048545578 563924024 /nfs/dbraw/zinc/92/40/24/563924024.db2.gz HVKMWNMRWRKQOO-CMDGGOBGSA-N 0 0 300.289 3.694 10 0 DHAERN Cc1sc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000383538550 971875315 /nfs/dbraw/zinc/87/53/15/971875315.db2.gz CXVQOYACCAUELR-UHFFFAOYSA-N 0 0 301.411 3.919 10 0 DHAERN C[C@@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000722138060 955194114 /nfs/dbraw/zinc/19/41/14/955194114.db2.gz FRZFPGPZCPAMMC-YGRLFVJLSA-N 0 0 316.228 3.579 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000072734382 1013909647 /nfs/dbraw/zinc/90/96/47/1013909647.db2.gz KIEINPUCQLZXTL-STQMWFEESA-N 0 0 304.419 3.558 10 0 DHAERN C[C@@H](NC(=O)NC[C@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000056419964 1014263351 /nfs/dbraw/zinc/26/33/51/1014263351.db2.gz JWMBJJALTNIKJI-HUUCEWRRSA-N 0 0 318.461 3.771 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)CCC2 ZINC000692437697 976476478 /nfs/dbraw/zinc/47/64/78/976476478.db2.gz UKGILOXFGDBUQW-UHFFFAOYSA-N 0 0 309.409 3.652 10 0 DHAERN C[C@@H]1C[N@H+](Cc2cc(Cl)sc2Cl)C[C@H]1CC(=O)[O-] ZINC000722619040 978151466 /nfs/dbraw/zinc/15/14/66/978151466.db2.gz UDJFJPGNKWXCFZ-HTQZYQBOSA-N 0 0 308.230 3.598 10 0 DHAERN C[C@@H]1c2ccccc2O[C@H]1C(=O)OCc1nc(C2CC2)cs1 ZINC000091135625 1032434740 /nfs/dbraw/zinc/43/47/40/1032434740.db2.gz LZKIFQMQIOUANP-QLJPJBMISA-N 0 0 315.394 3.628 10 0 DHAERN CCCC(=CC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21)CCC ZINC000092448884 1032494093 /nfs/dbraw/zinc/49/40/93/1032494093.db2.gz ZBIPNJZXYUQLND-OAHLLOKOSA-N 0 0 318.465 3.879 10 0 DHAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@H](C)[C@H]1CO ZINC000089853558 1019382541 /nfs/dbraw/zinc/38/25/41/1019382541.db2.gz AYBISAXAIVXDNQ-XJKSGUPXSA-N 0 0 304.434 3.743 10 0 DHAERN c1[nH]c([C@@H]2CCCN(c3ccccn3)C2)nc1-c1ccccc1 ZINC000091483329 1019472075 /nfs/dbraw/zinc/47/20/75/1019472075.db2.gz RJVKUHRXSJBEKR-MRXNPFEDSA-N 0 0 304.397 3.856 10 0 DHAERN c1ccc2[nH]c([C@@H]3CCCN3c3nc(C4CC4)ns3)nc2c1 ZINC000092584666 1019539458 /nfs/dbraw/zinc/53/94/58/1019539458.db2.gz IUXJERMHCPSDIP-ZDUSSCGKSA-N 0 0 311.414 3.633 10 0 DHAERN O=C(Nc1ccc(F)cc1Br)[C@@H]1C[C@@H]1c1ccco1 ZINC000049374624 1025708654 /nfs/dbraw/zinc/70/86/54/1025708654.db2.gz LUVZCPLRXUXAIB-VHSXEESVSA-N 0 0 324.149 3.923 10 0 DHAERN Cc1ccc(F)c(C(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067047378 1030520114 /nfs/dbraw/zinc/52/01/14/1030520114.db2.gz BZWNLYIHWAQUAF-LBPRGKRZSA-N 0 0 304.390 3.610 10 0 DHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@H](c2nccs2)C1 ZINC000067048327 1030522983 /nfs/dbraw/zinc/52/29/83/1030522983.db2.gz RZJNBBRKTSUTPP-ZDUSSCGKSA-N 0 0 320.845 3.745 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)C3CCCCC3)C2)cc1 ZINC000078186875 1030920699 /nfs/dbraw/zinc/92/06/99/1030920699.db2.gz YUIWJRFQWZMMMK-YOEHRIQHSA-N 0 0 301.430 3.980 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C)oc3C)C2)cc1 ZINC000078187338 1030921148 /nfs/dbraw/zinc/92/11/48/1030921148.db2.gz RVFAXDJPVUJCJR-BLLLJJGKSA-N 0 0 313.397 3.923 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)/C=C/c3cccnc3)C2)cc1 ZINC000078187540 1030921857 /nfs/dbraw/zinc/92/18/57/1030921857.db2.gz OTEURLWPPVBLEN-QREDONOYSA-N 0 0 322.408 3.508 10 0 DHAERN CC(C)(C)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)[nH]n1 ZINC000078462797 1030962334 /nfs/dbraw/zinc/96/23/34/1030962334.db2.gz YBZUXUJNIMBMQY-UHFFFAOYSA-N 0 0 309.413 3.637 10 0 DHAERN C[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000054607271 1037356000 /nfs/dbraw/zinc/35/60/00/1037356000.db2.gz LOTIMBFWZXXNLN-CYBMUJFWSA-N 0 0 316.376 3.672 10 0 DHAERN Cc1ccc(NCC(=O)N2CCC[C@H]2c2cccs2)cc1 ZINC000068782945 1038637506 /nfs/dbraw/zinc/63/75/06/1038637506.db2.gz LCHSPRNVPJFQER-HNNXBMFYSA-N 0 0 300.427 3.832 10 0 DHAERN CCCc1nnc(N[C@H](C)c2cn(C(C)(C)C)nc2C)s1 ZINC000130467205 334926398 /nfs/dbraw/zinc/92/63/98/334926398.db2.gz HLLUBEKSNUEXFH-SNVBAGLBSA-N 0 0 307.467 3.924 10 0 DHAERN CC(C)Oc1cc(OC2CC2)ccc1I ZINC000095726226 185383386 /nfs/dbraw/zinc/38/33/86/185383386.db2.gz WZKJTPLEBDOPBF-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CSc1cccc(I)c1OC1CC1 ZINC000095733071 185383593 /nfs/dbraw/zinc/38/35/93/185383593.db2.gz HESUMXCTYXWWMJ-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN N[C@H](c1nc2c(s1)CCC2)c1ccc(F)c(C(F)(F)F)c1 ZINC000096795218 185388874 /nfs/dbraw/zinc/38/88/74/185388874.db2.gz PXYFMOKIZVQEPL-LBPRGKRZSA-N 0 0 316.323 3.838 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(Br)cc1C ZINC000087406450 185224045 /nfs/dbraw/zinc/22/40/45/185224045.db2.gz VOPBGDSOYZMXJK-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(C)c(Br)c1 ZINC000087409965 185224412 /nfs/dbraw/zinc/22/44/12/185224412.db2.gz DLXPKSWYLILVPO-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN COc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1OC ZINC000087493257 185226652 /nfs/dbraw/zinc/22/66/52/185226652.db2.gz IUAAHGUGVCQZAT-UHFFFAOYSA-N 0 0 310.271 3.954 10 0 DHAERN c1ccc(C2=CC=C[C@](C3=NCCO3)(c3ccccc3)N2)cc1 ZINC000087493186 185226714 /nfs/dbraw/zinc/22/67/14/185226714.db2.gz GKPCOLDUQIPRHS-HXUWFJFHSA-N 0 0 302.377 3.511 10 0 DHAERN COc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000090141797 185283507 /nfs/dbraw/zinc/28/35/07/185283507.db2.gz MERYWBSLPLFWCC-ZJUUUORDSA-N 0 0 319.298 3.685 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226498 185287597 /nfs/dbraw/zinc/28/75/97/185287597.db2.gz HLLYLKKLCOKKPE-IINYFYTJSA-N 0 0 324.350 3.791 10 0 DHAERN CSc1nccc(CC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000090557052 185303125 /nfs/dbraw/zinc/30/31/25/185303125.db2.gz BFYJSZWPMWHXNF-UHFFFAOYSA-N 0 0 313.209 3.931 10 0 DHAERN O=C(Nc1cccc(COc2cccnc2)c1)c1ccccc1 ZINC000090624315 185307174 /nfs/dbraw/zinc/30/71/74/185307174.db2.gz GNLKCMALDDARNY-UHFFFAOYSA-N 0 0 304.349 3.913 10 0 DHAERN CCCC(=CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1)CCC ZINC000092367478 185314478 /nfs/dbraw/zinc/31/44/78/185314478.db2.gz ZOURVYQIJGEVSZ-MRXNPFEDSA-N 0 0 319.449 3.686 10 0 DHAERN CC(C)(C)c1csc([C@@H]2CN(Cc3ccco3)CCO2)n1 ZINC000092790618 185341369 /nfs/dbraw/zinc/34/13/69/185341369.db2.gz UBXCSVSXXJNRDH-ZDUSSCGKSA-N 0 0 306.431 3.607 10 0 DHAERN Fc1c(Cl)cccc1CN1CCO[C@H](c2nccs2)C1 ZINC000092831917 185344622 /nfs/dbraw/zinc/34/46/22/185344622.db2.gz RMJPNWYUQTXRCT-LBPRGKRZSA-N 0 0 312.797 3.509 10 0 DHAERN Cn1nccc1C1CCN(Cc2cc(Cl)ccc2F)CC1 ZINC000092810494 185342828 /nfs/dbraw/zinc/34/28/28/185342828.db2.gz DMCIONMZVAGZAH-UHFFFAOYSA-N 0 0 307.800 3.592 10 0 DHAERN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)c(Cl)cc1Cl ZINC000226304472 201773367 /nfs/dbraw/zinc/77/33/67/201773367.db2.gz GNAXADNKGOZIBR-RKDXNWHRSA-N 0 0 301.217 3.979 10 0 DHAERN C[C@@H](SCCOC(C)(C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000108414270 185512251 /nfs/dbraw/zinc/51/22/51/185512251.db2.gz GRTSMGLEYSBRJJ-UONOGXRCSA-N 0 0 309.475 3.801 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000068174550 190752577 /nfs/dbraw/zinc/75/25/77/190752577.db2.gz QULQRLDIEYGHQX-MELADBBJSA-N 0 0 323.396 3.630 10 0 DHAERN Brc1nc(-c2ccoc2)sc1Br ZINC000072192899 191072930 /nfs/dbraw/zinc/07/29/30/191072930.db2.gz GUWVMEGCTWXKIM-UHFFFAOYSA-N 0 0 308.982 3.928 10 0 DHAERN CCOC(=O)c1cnc2cc(C(F)(F)F)c(Cl)cc2c1O ZINC000072237264 191080967 /nfs/dbraw/zinc/08/09/67/191080967.db2.gz QKPRQQGNWLGARS-UHFFFAOYSA-N 0 0 319.666 3.789 10 0 DHAERN COc1ccc(-c2ccnc(N3CCc4ccccc4C3)n2)cc1 ZINC000072443395 191166937 /nfs/dbraw/zinc/16/69/37/191166937.db2.gz NGBUIGHGXUEJGP-UHFFFAOYSA-N 0 0 317.392 3.715 10 0 DHAERN Cc1ccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)cc1 ZINC000072441035 191167803 /nfs/dbraw/zinc/16/78/03/191167803.db2.gz FJGSPBDZVLZDEZ-UHFFFAOYSA-N 0 0 318.336 3.630 10 0 DHAERN CC(C)c1ccc(/C=C/c2ccnc(N3CCOCC3)n2)cc1 ZINC000072443603 191168574 /nfs/dbraw/zinc/16/85/74/191168574.db2.gz SDEWHMCTVBWMCY-VMPITWQZSA-N 0 0 309.413 3.607 10 0 DHAERN CCCCNC(=O)c1ccc(-c2ccc3ccccc3c2)[nH]c1=O ZINC000072450726 191170606 /nfs/dbraw/zinc/17/06/06/191170606.db2.gz MGWSWVHTVSIZQN-UHFFFAOYSA-N 0 0 320.392 3.725 10 0 DHAERN Cc1ccc(-c2cc(-c3ccc(F)cc3)nc3ncnn32)cc1 ZINC000000204489 180725010 /nfs/dbraw/zinc/72/50/10/180725010.db2.gz ZBWFOOIZYXGVAS-UHFFFAOYSA-N 0 0 304.328 3.906 10 0 DHAERN CCOc1ccccc1C=CC(=O)Nc1cccc(C(C)=O)c1 ZINC000001986531 180904847 /nfs/dbraw/zinc/90/48/47/180904847.db2.gz HAXUOLXEGHSFMD-VAWYXSNFSA-N 0 0 309.365 3.940 10 0 DHAERN CCCCCOC(=O)c1ccc(NC(=O)C(F)(F)F)cc1 ZINC000003154153 180986726 /nfs/dbraw/zinc/98/67/26/180986726.db2.gz WEYCISWPOGZSNE-UHFFFAOYSA-N 0 0 303.280 3.534 10 0 DHAERN CCc1ccc(NC(=O)/C=C/c2cc(OC)ccc2OC)cc1 ZINC000003566854 181035663 /nfs/dbraw/zinc/03/56/63/181035663.db2.gz YBMUCTVLNQPXOT-KPKJPENVSA-N 0 0 311.381 3.918 10 0 DHAERN Nc1ccc2c(c1)ncnc2Nc1cccc(Br)c1 ZINC000003815072 181047097 /nfs/dbraw/zinc/04/70/97/181047097.db2.gz GHVBIROTJQDRQB-UHFFFAOYSA-N 0 0 315.174 3.718 10 0 in-vivo DHAERN Cc1cc(N(C)Cc2ccccc2)c2ccc(C(=O)[O-])cc2[nH+]1 ZINC000004226522 181086189 /nfs/dbraw/zinc/08/61/89/181086189.db2.gz TZSLXSZGGSWMPA-UHFFFAOYSA-N 0 0 306.365 3.878 10 0 DHAERN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NC(=O)C(=O)c1c[nH]c2ccccc12 ZINC000004277156 181091745 /nfs/dbraw/zinc/09/17/45/181091745.db2.gz STGUCNRVLTUQJT-GCKAQTDUSA-N 0 0 324.424 3.682 10 0 DHAERN CCOc1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=N)oc2c1 ZINC000004637453 181130996 /nfs/dbraw/zinc/13/09/96/181130996.db2.gz BUYIJWKPLAEGET-UHFFFAOYSA-N 0 0 322.364 3.872 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000073361098 191308144 /nfs/dbraw/zinc/30/81/44/191308144.db2.gz HDKNPRWMLCXWLX-MSOLQXFVSA-N 0 0 314.429 3.824 10 0 DHAERN O=c1cc(-c2ccccn2)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073661904 191337914 /nfs/dbraw/zinc/33/79/14/191337914.db2.gz VVGCBXVGVGWITG-UHFFFAOYSA-N 0 0 317.270 3.518 10 0 DHAERN CC(=O)O[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004992036 181186534 /nfs/dbraw/zinc/18/65/34/181186534.db2.gz IFLVCDMYWKUNSH-QGZVFWFLSA-N 0 0 315.756 3.558 10 0 aggregator DHAERN CCOc1ccc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc1 ZINC000005389013 181237925 /nfs/dbraw/zinc/23/79/25/181237925.db2.gz LHGXJZZXQFWYLH-UHFFFAOYSA-N 0 0 320.392 3.666 10 0 DHAERN CCO[C@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000005334842 181230979 /nfs/dbraw/zinc/23/09/79/181230979.db2.gz XGDJUIWMIKCXJN-SFHVURJKSA-N 0 0 300.354 3.664 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000081569538 192292403 /nfs/dbraw/zinc/29/24/03/192292403.db2.gz AGZKYTUORQBAAP-NSHDSACASA-N 0 0 322.430 3.565 10 0 DHAERN O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1cccc(F)c1 ZINC000005816430 181286447 /nfs/dbraw/zinc/28/64/47/181286447.db2.gz ULMVTBIINDXKMZ-UHFFFAOYSA-N 0 0 324.307 3.640 10 0 DHAERN c1ccc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)nc1 ZINC000006000410 181305221 /nfs/dbraw/zinc/30/52/21/181305221.db2.gz HQGWSKYACBQQKE-UHFFFAOYSA-N 0 0 302.337 3.599 10 0 DHAERN COc1ccccc1N1C(=O)S/C(=C/c2cccs2)C1=O ZINC000006009571 181305550 /nfs/dbraw/zinc/30/55/50/181305550.db2.gz BKUCORUQBOZHFL-UKTHLTGXSA-N 0 0 317.391 3.998 10 0 DHAERN CCC[C@@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000006138928 181316271 /nfs/dbraw/zinc/31/62/71/181316271.db2.gz UXRACUIDMGVBFX-CQSZACIVSA-N 0 0 310.397 3.857 10 0 DHAERN O=C(Nc1nc(-c2cccnc2)cs1)NC1CCCCC1 ZINC000006398727 181337628 /nfs/dbraw/zinc/33/76/28/181337628.db2.gz UEZJCWSMYOEODB-UHFFFAOYSA-N 0 0 302.403 3.659 10 0 DHAERN Cc1cc(C(=O)Nc2c(C)[nH]nc2C(F)(F)F)sc1C ZINC000006412961 181339384 /nfs/dbraw/zinc/33/93/84/181339384.db2.gz IBJCJBHWSWSPKK-UHFFFAOYSA-N 0 0 303.309 3.668 10 0 DHAERN [O-][n+]1onc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000006536267 181351291 /nfs/dbraw/zinc/35/12/91/181351291.db2.gz KUAMMJMSXOAUGF-UHFFFAOYSA-N 0 0 307.136 3.949 10 0 DHAERN CCn1c(C)nnc1CSCc1csc(-c2ccoc2)n1 ZINC000091029790 192973152 /nfs/dbraw/zinc/97/31/52/192973152.db2.gz ADIMAMROHXBJHJ-UHFFFAOYSA-N 0 0 320.443 3.756 10 0 DHAERN COc1cc(C)c(NS(=O)(=O)c2ccccc2)cc1C(C)C ZINC000006859003 181398780 /nfs/dbraw/zinc/39/87/80/181398780.db2.gz HBTFDDKRBJIUFI-UHFFFAOYSA-N 0 0 319.426 3.928 10 0 DHAERN Clc1cc(Br)c2[nH]cc(Br)c2n1 ZINC000091297016 193034322 /nfs/dbraw/zinc/03/43/22/193034322.db2.gz GWNDHEVVONTQLC-UHFFFAOYSA-N 0 0 310.376 3.741 10 0 DHAERN CCOC(=O)c1ccc(C[C@H](CC)NC(=O)OC(C)(C)C)cc1 ZINC000091352921 193046211 /nfs/dbraw/zinc/04/62/11/193046211.db2.gz IYYBCTLTEPVUTH-HNNXBMFYSA-N 0 0 321.417 3.709 10 0 DHAERN C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000218984535 201546914 /nfs/dbraw/zinc/54/69/14/201546914.db2.gz IVZRUZDEVNWFBP-YNEHKIRRSA-N 0 0 315.335 3.691 10 0 DHAERN CC(C)(C)[C@H]1COC(c2ccc(F)cc2Br)=N1 ZINC000261507042 203074111 /nfs/dbraw/zinc/07/41/11/203074111.db2.gz DRNSAMXNYKDKQB-LLVKDONJSA-N 0 0 300.171 3.780 10 0 DHAERN Cc1ccccc1CSc1nnc(NC(=O)C(C)C)s1 ZINC000007386676 181460827 /nfs/dbraw/zinc/46/08/27/181460827.db2.gz CDZWJCHEYIMEER-UHFFFAOYSA-N 0 0 307.444 3.733 10 0 DHAERN CCCCCOc1ccc(C(=O)n2nnc3ccccc32)cc1 ZINC000007610315 181479567 /nfs/dbraw/zinc/47/95/67/181479567.db2.gz LYRUWTXXNOSZFW-UHFFFAOYSA-N 0 0 309.369 3.689 10 0 DHAERN Cc1ncc(C[S@@](=O)c2nc(-c3ccccc3)cs2)s1 ZINC000096446930 193650327 /nfs/dbraw/zinc/65/03/27/193650327.db2.gz URHQUYLEDZOBOG-FQEVSTJZSA-N 0 0 320.464 3.883 10 0 DHAERN O=C(CCc1ccco1)Nc1nc2c(cc(F)cc2F)s1 ZINC000008749042 181583059 /nfs/dbraw/zinc/58/30/59/181583059.db2.gz IIQJDIGXEZCVKX-UHFFFAOYSA-N 0 0 308.309 3.739 10 0 DHAERN CC[C@@H](C)Oc1ccc(NC(=S)NC(=O)CC(C)C)cc1 ZINC000009266442 181610847 /nfs/dbraw/zinc/61/08/47/181610847.db2.gz RLGIFJAJNSQEAX-GFCCVEGCSA-N 0 0 308.447 3.723 10 0 DHAERN CCCCCCOc1cccc(NC(=S)NC(=O)CC)c1 ZINC000009696359 181636714 /nfs/dbraw/zinc/63/67/14/181636714.db2.gz FJYIBWCZVIZXOO-UHFFFAOYSA-N 0 0 308.447 3.869 10 0 DHAERN CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(O)c2)cc1 ZINC000010012412 181653104 /nfs/dbraw/zinc/65/31/04/181653104.db2.gz ZBCIQIJGXWVUQJ-UHFFFAOYSA-N 0 0 314.410 3.642 10 0 DHAERN Cc1ccc(CC(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000010696739 181677143 /nfs/dbraw/zinc/67/71/43/181677143.db2.gz CUKYLLVKDHWPKO-UHFFFAOYSA-N 0 0 300.358 3.925 10 0 DHAERN CCCC(=O)Nc1cc(C)nn1-c1cc(C)c2ccccc2n1 ZINC000012293431 181746206 /nfs/dbraw/zinc/74/62/06/181746206.db2.gz BJNDLWBPBJHTCU-UHFFFAOYSA-N 0 0 308.385 3.776 10 0 DHAERN Cc1cc(OCCOc2ccc(C(N)=S)cc2)ccc1Cl ZINC000011994974 181723275 /nfs/dbraw/zinc/72/32/75/181723275.db2.gz ZAWGILWIZSAJSP-UHFFFAOYSA-N 0 0 321.829 3.740 10 0 DHAERN CCOc1ccccc1NC(=S)Nc1ccc(Cl)cn1 ZINC000013837967 181905606 /nfs/dbraw/zinc/90/56/06/181905606.db2.gz VAAFCQPXOOUUHW-UHFFFAOYSA-N 0 0 307.806 3.943 10 0 DHAERN Cc1ccc2onc(CC(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)c2c1 ZINC000015675068 182012026 /nfs/dbraw/zinc/01/20/26/182012026.db2.gz FQNKLEVHMBPQCF-GZBFAFLISA-N 0 0 300.402 3.620 10 0 DHAERN CCNC(=S)Nc1ccc(Nc2ccc(OC)cc2)cc1 ZINC000016213936 182036867 /nfs/dbraw/zinc/03/68/67/182036867.db2.gz NSQFHCGPVYREDI-UHFFFAOYSA-N 0 0 301.415 3.745 10 0 DHAERN CC[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000016896298 182062564 /nfs/dbraw/zinc/06/25/64/182062564.db2.gz ACLLHJMMBLMAMW-GOSISDBHSA-N 0 0 311.381 3.912 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)C(C)C)cc1NC(=O)c1ccco1 ZINC000017055241 182072610 /nfs/dbraw/zinc/07/26/10/182072610.db2.gz VQBMDHHRUDLBKK-CYBMUJFWSA-N 0 0 314.385 3.615 10 0 DHAERN Cc1cc(NC(=O)c2cccc(F)c2)nn1Cc1cccc(C)c1 ZINC000017056454 182073517 /nfs/dbraw/zinc/07/35/17/182073517.db2.gz HODHVDLEPGSGBK-UHFFFAOYSA-N 0 0 323.371 3.940 10 0 DHAERN Cn1c(SCc2cccnc2)nnc1-c1c[nH]c2ccccc12 ZINC000018067807 182091786 /nfs/dbraw/zinc/09/17/86/182091786.db2.gz YWNRANDGJOFUCO-UHFFFAOYSA-N 0 0 321.409 3.651 10 0 DHAERN CC[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1 ZINC000019232672 182110145 /nfs/dbraw/zinc/11/01/45/182110145.db2.gz ZLODMZMUMZSLLP-MRXNPFEDSA-N 0 0 307.390 3.792 10 0 DHAERN NC(=S)c1ccccc1COc1ccc(Br)cc1 ZINC000019422060 182122444 /nfs/dbraw/zinc/12/24/44/182122444.db2.gz LRSXMKUGXPMDGF-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN NC(=S)c1ccc(OCc2ccccc2Br)cc1 ZINC000019506896 182126497 /nfs/dbraw/zinc/12/64/97/182126497.db2.gz LZGMHYSURBNIMS-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Fc1ccc(Oc2ccc(Cl)nn2)c(Br)c1 ZINC000019427762 182123327 /nfs/dbraw/zinc/12/33/27/182123327.db2.gz HXMVWRBFXJXBIG-UHFFFAOYSA-N 0 0 303.518 3.824 10 0 DHAERN Nc1ccc2c(c1)N(Cc1cccc(Br)c1)CC2 ZINC000019779391 182147803 /nfs/dbraw/zinc/14/78/03/182147803.db2.gz PHOOWCLNPKNKJV-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000019911325 182163597 /nfs/dbraw/zinc/16/35/97/182163597.db2.gz RZZZZSZTEJIKOE-SNVBAGLBSA-N 0 0 319.202 3.721 10 0 DHAERN Cc1ccc(NC(=O)Cc2cccc(N)c2)c(Br)c1 ZINC000020186186 182195133 /nfs/dbraw/zinc/19/51/33/182195133.db2.gz AIOAAUOOKISWGP-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN Nc1cccc(CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000020187148 182195772 /nfs/dbraw/zinc/19/57/72/182195772.db2.gz JGNAJKXKFFHXJZ-UHFFFAOYSA-N 0 0 319.202 3.603 10 0 DHAERN C[C@@H](Nc1ccccc1Br)C(=O)Nc1ccccc1 ZINC000020300644 182203772 /nfs/dbraw/zinc/20/37/72/182203772.db2.gz BUISFNHVPMYSJR-LLVKDONJSA-N 0 0 319.202 3.888 10 0 DHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1cccc(Br)c1 ZINC000020364808 182211484 /nfs/dbraw/zinc/21/14/84/182211484.db2.gz KVMDPEYLBMOQON-SNVBAGLBSA-N 0 0 313.239 3.554 10 0 DHAERN Nc1ccccc1OCC(=O)Nc1cc(Cl)ccc1Cl ZINC000020545110 182229026 /nfs/dbraw/zinc/22/90/26/182229026.db2.gz CTIZHXQNLVNZHP-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Cc1c2cc(Br)ccc2oc1[C@H](N)c1ccccn1 ZINC000020593019 182235629 /nfs/dbraw/zinc/23/56/29/182235629.db2.gz DGXAOHYXSLYSHA-CQSZACIVSA-N 0 0 317.186 3.947 10 0 DHAERN CCCC1N=NC(=S)N1c1ccc(Br)c(C)c1 ZINC000020589264 182235752 /nfs/dbraw/zinc/23/57/52/182235752.db2.gz KIZWSPQQXYDFAT-UHFFFAOYSA-N 0 0 312.236 3.579 10 0 DHAERN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)Nc1ccccn1 ZINC000020998257 182257984 /nfs/dbraw/zinc/25/79/84/182257984.db2.gz WCOJHLFWVLPRLI-INIZCTEOSA-N 0 0 309.344 3.640 10 0 DHAERN CCOc1ccc(C(=O)Nc2cccc(OC(=O)CC)c2)cc1 ZINC000021025943 182261421 /nfs/dbraw/zinc/26/14/21/182261421.db2.gz CLTRTWYFMPNGSF-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN COc1c(O)ccc2c1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000022062283 182306937 /nfs/dbraw/zinc/30/69/37/182306937.db2.gz BCWZIZLVBYHFES-MPFBVMFSSA-N 0 0 302.414 3.618 10 0 endogenous,in-man DHAERN c1ccc2c(CNc3cncc(-c4cncnc4)c3)ccnc2c1 ZINC000022063665 182307419 /nfs/dbraw/zinc/30/74/19/182307419.db2.gz XJXZVPYGJYNXLR-UHFFFAOYSA-N 0 0 313.364 3.699 10 0 in-vitro DHAERN Cc1cccc(C(=O)Nc2ccccc2Br)c1N ZINC000022210435 182313755 /nfs/dbraw/zinc/31/37/55/182313755.db2.gz SGKKWDQKXDBYPF-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccnc(Cl)c1 ZINC000022764061 182333262 /nfs/dbraw/zinc/33/32/62/182333262.db2.gz PWRPZVCZESSPLH-VHSXEESVSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1nc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)sc1C ZINC000023683680 182366008 /nfs/dbraw/zinc/36/60/08/182366008.db2.gz KMNHIQPJDHVNCL-SECBINFHSA-N 0 0 310.806 3.819 10 0 DHAERN Cc1ccc(C)c(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 ZINC000101275515 193809875 /nfs/dbraw/zinc/80/98/75/193809875.db2.gz UIGIQHJEYUMYOP-KRWDZBQOSA-N 0 0 322.408 3.664 10 0 DHAERN CC(C)(C)OC(=O)Nc1cc(CC(=O)c2ccccc2)ccn1 ZINC000034423952 182732491 /nfs/dbraw/zinc/73/24/91/182732491.db2.gz CJOYDBJGWVCQFF-UHFFFAOYSA-N 0 0 312.369 3.854 10 0 DHAERN CS(=O)(=O)c1ccc(Cl)c(NCC2CCCCC2)c1 ZINC000036955239 182854798 /nfs/dbraw/zinc/85/47/98/182854798.db2.gz CZKIGGXZXGTULS-UHFFFAOYSA-N 0 0 301.839 3.736 10 0 DHAERN CC(C)n1cc(Br)cc1C(=O)N(C)c1ccccn1 ZINC000037843093 182930785 /nfs/dbraw/zinc/93/07/85/182930785.db2.gz NQHSWEYJVGVZDL-UHFFFAOYSA-N 0 0 322.206 3.503 10 0 DHAERN Cc1ccccc1CN(C)C(=O)c1cnc(Cl)c(Cl)c1 ZINC000037975249 182947302 /nfs/dbraw/zinc/94/73/02/182947302.db2.gz QFBPXYVATSJGCP-UHFFFAOYSA-N 0 0 309.196 3.969 10 0 DHAERN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccc(Cl)nc2)o1 ZINC000037979323 182949977 /nfs/dbraw/zinc/94/99/77/182949977.db2.gz ALPOBLZMUKFRSN-GWCFXTLKSA-N 0 0 304.777 3.724 10 0 DHAERN CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)nc1C1CCC1 ZINC000039954845 183024377 /nfs/dbraw/zinc/02/43/77/183024377.db2.gz WWRSTNNJTPYQOK-UHFFFAOYSA-N 0 0 319.792 3.552 10 0 DHAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249517 183049329 /nfs/dbraw/zinc/04/93/29/183049329.db2.gz ZYMDWYLKXBFOQD-UHFFFAOYSA-N 0 0 314.772 3.920 10 0 DHAERN CCN(CC)C(=O)CSc1cc(C)c2cccc(C)c2n1 ZINC000040167153 183042678 /nfs/dbraw/zinc/04/26/78/183042678.db2.gz ACARCKFFAQOVOI-UHFFFAOYSA-N 0 0 302.443 3.812 10 0 DHAERN CCCCn1c(CCNC(=O)C(CC)CC)nc2ccccc21 ZINC000040198077 183045382 /nfs/dbraw/zinc/04/53/82/183045382.db2.gz QHKMTLULLWXSBG-UHFFFAOYSA-N 0 0 315.461 3.931 10 0 DHAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)N2CCCC2)c1 ZINC000040239703 183048879 /nfs/dbraw/zinc/04/88/79/183048879.db2.gz PLUAUJKGAOYGEF-UHFFFAOYSA-N 0 0 319.408 3.634 10 0 DHAERN CCC(=O)NCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040274408 183050851 /nfs/dbraw/zinc/05/08/51/183050851.db2.gz ZPXVUGSCBYPDTD-UHFFFAOYSA-N 0 0 321.424 3.695 10 0 DHAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1cccc(F)c1 ZINC000040295924 183053106 /nfs/dbraw/zinc/05/31/06/183053106.db2.gz BGAHLSJMCHRCKW-UHFFFAOYSA-N 0 0 309.344 3.692 10 0 DHAERN Cc1cc2nc(CCO)n(CCCc3ccccc3)c2cc1C ZINC000040310767 183053682 /nfs/dbraw/zinc/05/36/82/183053682.db2.gz SPTPXYJXQFSVQW-UHFFFAOYSA-N 0 0 308.425 3.821 10 0 DHAERN CCOCCCn1c(COC)nc2cc(C(F)(F)F)ccc21 ZINC000040403053 183061295 /nfs/dbraw/zinc/06/12/95/183061295.db2.gz KXKWGJCBETXLBR-UHFFFAOYSA-N 0 0 316.323 3.628 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2N)nc1 ZINC000040682176 183117000 /nfs/dbraw/zinc/11/70/00/183117000.db2.gz FKFYGTUKOZJIEW-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Nc1c(Nc2ccc(F)cc2)ncnc1N1CCc2ccccc21 ZINC000040687374 183117744 /nfs/dbraw/zinc/11/77/44/183117744.db2.gz MJJMXMKUGNTSPZ-UHFFFAOYSA-N 0 0 321.359 3.636 10 0 DHAERN CC(C)Nc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700862 183119843 /nfs/dbraw/zinc/11/98/43/183119843.db2.gz NTRNMDOIMLLSER-UHFFFAOYSA-N 0 0 312.204 3.930 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3nccs3)c2N)cc1C ZINC000040702855 183119863 /nfs/dbraw/zinc/11/98/63/183119863.db2.gz GWEAWDMWSCFTFG-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3cccc(C)c3C)c2N)c1 ZINC000040701307 183119964 /nfs/dbraw/zinc/11/99/64/183119964.db2.gz OPKFPRWEBDFJMK-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Nc1c(Nc2cccnc2Cl)ncnc1NC1CCCCC1 ZINC000040708785 183120566 /nfs/dbraw/zinc/12/05/66/183120566.db2.gz RAEOBFUEAOKTCS-UHFFFAOYSA-N 0 0 318.812 3.595 10 0 DHAERN CCN(CC)c1ncnc(Nc2cc(Cl)ccc2C)c1N ZINC000040704789 183120571 /nfs/dbraw/zinc/12/05/71/183120571.db2.gz CIRNHQAOHQFSJW-UHFFFAOYSA-N 0 0 305.813 3.610 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccccc3C)c2N)nc1 ZINC000040781226 183132945 /nfs/dbraw/zinc/13/29/45/183132945.db2.gz NJVUMQYGKQMMRC-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccccc1Oc1ncnc(Nc2ccccc2)c1N ZINC000040781144 183133163 /nfs/dbraw/zinc/13/31/63/183133163.db2.gz FUJBWQPXEHDREE-UHFFFAOYSA-N 0 0 308.341 3.603 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3ccccn3)c2N)cc1 ZINC000040778989 183133175 /nfs/dbraw/zinc/13/31/75/183133175.db2.gz QPSHPJZHJUIRFJ-UHFFFAOYSA-N 0 0 309.398 3.657 10 0 DHAERN COc1ccc(Nc2ncnc(Oc3ccc(C)cc3)c2N)cc1 ZINC000040782591 183133717 /nfs/dbraw/zinc/13/37/17/183133717.db2.gz JPNBKVSLTXCLFN-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccc(F)cc1 ZINC000040782445 183133758 /nfs/dbraw/zinc/13/37/58/183133758.db2.gz BGUVCGGRLZACFA-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN Cc1cc(Oc2ncnc(OC(C)C)c2N)cc(C)c1Cl ZINC000040795874 183135013 /nfs/dbraw/zinc/13/50/13/183135013.db2.gz JFUZLGJCZRUPRA-UHFFFAOYSA-N 0 0 307.781 3.909 10 0 DHAERN CC(C)CCNc1ncnc(Nc2cccc3ncccc32)c1N ZINC000040796934 183135320 /nfs/dbraw/zinc/13/53/20/183135320.db2.gz FNWUCNOENGVEAN-UHFFFAOYSA-N 0 0 322.416 3.809 10 0 DHAERN Nc1c(Nc2ccc(F)cc2F)ncnc1Oc1ccccc1 ZINC000040796104 183135445 /nfs/dbraw/zinc/13/54/45/183135445.db2.gz QGWPFIUGKIAFRA-UHFFFAOYSA-N 0 0 314.295 3.873 10 0 DHAERN CN(c1ccccc1)c1ncnc(Nc2ccccc2F)c1N ZINC000040757692 183129691 /nfs/dbraw/zinc/12/96/91/183129691.db2.gz OUVCKPIJSIZMNM-UHFFFAOYSA-N 0 0 309.348 3.709 10 0 DHAERN CCc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1 ZINC000040898523 183147257 /nfs/dbraw/zinc/14/72/57/183147257.db2.gz NQIWGZPXEDEKAN-UHFFFAOYSA-N 0 0 312.438 3.695 10 0 DHAERN Cc1cc(Cl)ccc1NC(=S)NC(=O)c1cccs1 ZINC000040898472 183147401 /nfs/dbraw/zinc/14/74/01/183147401.db2.gz WSSSRMCOLJMVCR-UHFFFAOYSA-N 0 0 310.831 3.837 10 0 DHAERN O=c1oc2cc(OCCOc3ccccc3)ccc2c2c1CCC2 ZINC000040947613 183150489 /nfs/dbraw/zinc/15/04/89/183150489.db2.gz IJUMNBZRKPFXOA-UHFFFAOYSA-N 0 0 322.360 3.740 10 0 DHAERN COc1ccc(C[C@@H](CO)Cc2ccc(Cl)cc2)cc1F ZINC000041542724 183201113 /nfs/dbraw/zinc/20/11/13/183201113.db2.gz ZIHQOYLCIVKKJF-AWEZNQCLSA-N 0 0 308.780 3.881 10 0 DHAERN O=S1CCC(Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000042335558 183255417 /nfs/dbraw/zinc/25/54/17/183255417.db2.gz LDHYIZNDISPTBA-UHFFFAOYSA-N 0 0 312.649 3.970 10 0 DHAERN CCOc1cc(Br)c([C@@H](O)CC)cc1OCC ZINC000042352199 183257582 /nfs/dbraw/zinc/25/75/82/183257582.db2.gz LJQSWOFXWYGRSN-NSHDSACASA-N 0 0 303.196 3.690 10 0 DHAERN CC[C@H](NC(=O)c1cc(F)ccc1Br)C(C)C ZINC000042550761 183283971 /nfs/dbraw/zinc/28/39/71/183283971.db2.gz XKXOLJWFHYNBAL-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN CC(C)CN(c1cc(Br)ccc1CO)C(C)C ZINC000042586239 183287880 /nfs/dbraw/zinc/28/78/80/183287880.db2.gz WOHPOXFEJAILCY-UHFFFAOYSA-N 0 0 300.240 3.812 10 0 DHAERN CC(C)C[C@@H](C)N(C)c1cc(Br)ccc1CO ZINC000042586038 183288034 /nfs/dbraw/zinc/28/80/34/183288034.db2.gz KRISKSQDUCWVSL-LLVKDONJSA-N 0 0 300.240 3.812 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N[C@@H](CC)C(C)C ZINC000042593504 183289855 /nfs/dbraw/zinc/28/98/55/183289855.db2.gz DSXNXIPVMGXBGM-LBPRGKRZSA-N 0 0 315.255 3.825 10 0 DHAERN Cc1cccc(C[C@H](O)Cc2ccccc2Br)c1 ZINC000043561081 183370921 /nfs/dbraw/zinc/37/09/21/183370921.db2.gz JNYQPWOMKRZWGC-HNNXBMFYSA-N 0 0 305.215 3.904 10 0 DHAERN CCOc1ccccc1[C@H](C)n1nc(C)c(Br)c1N ZINC000043668232 183378627 /nfs/dbraw/zinc/37/86/27/183378627.db2.gz HNZPYFLKYMDXMJ-JTQLQIEISA-N 0 0 324.222 3.544 10 0 DHAERN CCOc1cc(NC(=O)N[C@H](C)c2ccc(C)o2)ccc1OC ZINC000043721749 183383616 /nfs/dbraw/zinc/38/36/16/183383616.db2.gz IVEYLTXVJIWFQE-GFCCVEGCSA-N 0 0 318.373 3.878 10 0 DHAERN CCCOc1ccc(C(=O)CCC(=O)N[C@H](C)C(C)C)cc1 ZINC000044194994 183397748 /nfs/dbraw/zinc/39/77/48/183397748.db2.gz KXTGWHUGCYVFFD-CQSZACIVSA-N 0 0 305.418 3.599 10 0 DHAERN CC[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1nc(C)cs1 ZINC000104786431 194040302 /nfs/dbraw/zinc/04/03/02/194040302.db2.gz PGGKNKRUSBEVFG-NEPJUHHUSA-N 0 0 307.419 3.864 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000105042188 194066727 /nfs/dbraw/zinc/06/67/27/194066727.db2.gz BMOJKALDCVVNIV-GXFFZTMASA-N 0 0 305.378 3.564 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)c1 ZINC000105860788 194149128 /nfs/dbraw/zinc/14/91/28/194149128.db2.gz KSEIIBBXXNMMRY-OAHLLOKOSA-N 0 0 317.820 3.631 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899435 194164924 /nfs/dbraw/zinc/16/49/24/194164924.db2.gz XXFSGCOJSDCDPD-KRWDZBQOSA-N 0 0 322.412 3.684 10 0 DHAERN COc1ccsc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000106012105 194179097 /nfs/dbraw/zinc/17/90/97/194179097.db2.gz WWKWGZJXLGHUOK-BDAKNGLRSA-N 0 0 307.337 3.608 10 0 DHAERN CCCC[C@@H](C)NC(=O)c1cc(Br)ccc1F ZINC000050889679 183806408 /nfs/dbraw/zinc/80/64/08/183806408.db2.gz YOOCMCCAHSQYNP-SECBINFHSA-N 0 0 302.187 3.897 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2cc(Cl)ccc2F)[nH]1 ZINC000057341554 184033685 /nfs/dbraw/zinc/03/36/85/184033685.db2.gz VSMLMVAWQQHZLA-UHFFFAOYSA-N 0 0 315.735 3.973 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(C)cc3F)n2)c1 ZINC000057342027 184034447 /nfs/dbraw/zinc/03/44/47/184034447.db2.gz STUPULCFXFDTLY-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3C)n2)c1 ZINC000057341978 184034531 /nfs/dbraw/zinc/03/45/31/184034531.db2.gz JVINPKUTWJIHMY-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1COc2ccccc21 ZINC000058725928 184127136 /nfs/dbraw/zinc/12/71/36/184127136.db2.gz QYHYSHOHOPILSY-GOSISDBHSA-N 0 0 320.392 3.741 10 0 DHAERN CN(Cc1ccccc1Br)C[C@H]1CCCCC1=O ZINC000060720403 184155056 /nfs/dbraw/zinc/15/50/56/184155056.db2.gz NAFXADLNMAIUOE-CYBMUJFWSA-N 0 0 310.235 3.640 10 0 DHAERN Nc1cc(C(=O)OCC2CCCC2)c(Br)cc1F ZINC000061089883 184161494 /nfs/dbraw/zinc/16/14/94/184161494.db2.gz DTHCACKECLWVCR-UHFFFAOYSA-N 0 0 316.170 3.517 10 0 DHAERN CNC(=O)c1ccc(C)c(N[C@@H]2CCCc3sccc32)c1 ZINC000061327401 184169074 /nfs/dbraw/zinc/16/90/74/184169074.db2.gz PAMGYNWVXUUNAL-CQSZACIVSA-N 0 0 300.427 3.906 10 0 DHAERN COc1ccc(C[C@@H](C(C)C)[C@H](C)O)cc1Br ZINC000061688799 184182899 /nfs/dbraw/zinc/18/28/99/184182899.db2.gz HYVGDRHUXWMFQT-JQWIXIFHSA-N 0 0 301.224 3.653 10 0 DHAERN O=C(c1ccc2ccccc2c1)N1CCC(Cn2cccn2)CC1 ZINC000062130661 184207645 /nfs/dbraw/zinc/20/76/45/184207645.db2.gz BHQBYPXEORCUOS-UHFFFAOYSA-N 0 0 319.408 3.589 10 0 DHAERN COCc1cc(Cl)nc(Cc2c(F)cccc2Cl)n1 ZINC000062351752 184231443 /nfs/dbraw/zinc/23/14/43/184231443.db2.gz ZJYQUJFGKZOGNQ-UHFFFAOYSA-N 0 0 301.148 3.660 10 0 DHAERN Fc1cc(F)c(NCCc2cccnc2)c(Br)c1 ZINC000063222272 184279301 /nfs/dbraw/zinc/27/93/01/184279301.db2.gz DIXDJMVLEYCYTP-UHFFFAOYSA-N 0 0 313.145 3.777 10 0 DHAERN O=C(CCc1conc1-c1ccccc1F)NCc1ccccc1 ZINC000065213567 184314702 /nfs/dbraw/zinc/31/47/02/184314702.db2.gz WDFGZESWDTXZRT-UHFFFAOYSA-N 0 0 324.355 3.730 10 0 DHAERN COc1cc(OC)cc(-c2cc(O)cc(Br)c2)c1 ZINC000065343888 184325264 /nfs/dbraw/zinc/32/52/64/184325264.db2.gz ODGIXQMTBYXZAC-UHFFFAOYSA-N 0 0 309.159 3.839 10 0 DHAERN CS(C)(=O)=Nc1cccc2c1C(=O)c1cccc3[nH]cc-2c31 ZINC000066087439 184388099 /nfs/dbraw/zinc/38/80/99/184388099.db2.gz RUBSFQUDFSGCIP-UHFFFAOYSA-N 0 0 310.378 3.738 10 0 DHAERN CSc1ccccc1NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000152201178 196787658 /nfs/dbraw/zinc/78/76/58/196787658.db2.gz WBHGKUVNHRRRGK-CXAGYDPISA-N 0 0 320.458 3.567 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)O1 ZINC000151738436 196720485 /nfs/dbraw/zinc/72/04/85/196720485.db2.gz XTCISYHANJXDIM-UNEWFSDZSA-N 0 0 315.413 3.507 10 0 DHAERN Cc1cc(C)cc(OC[C@H]2CN(Cc3ccccc3)C(=O)O2)c1 ZINC000398473607 257102982 /nfs/dbraw/zinc/10/29/82/257102982.db2.gz RLMYWFYUYQEWAB-GOSISDBHSA-N 0 0 311.381 3.703 10 0 DHAERN O=C(OCc1ccccc1)N1CCCC[C@@H]1COC(F)(F)F ZINC000091252515 257260543 /nfs/dbraw/zinc/26/05/43/257260543.db2.gz SOAOMTDOARIVIF-CYBMUJFWSA-N 0 0 317.307 3.714 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cccnc2SC(F)F)o1 ZINC000299271706 132095658 /nfs/dbraw/zinc/09/56/58/132095658.db2.gz KFQIRHYLOYVOCE-SECBINFHSA-N 0 0 312.341 3.789 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000150971090 196610864 /nfs/dbraw/zinc/61/08/64/196610864.db2.gz ZPLNUMLCTLROOY-LSDHHAIUSA-N 0 0 320.481 3.788 10 0 DHAERN CO[C@@H](C(=O)N[C@@H](C)c1cccc(Cl)c1)c1ccccc1 ZINC000182489251 335089090 /nfs/dbraw/zinc/08/90/90/335089090.db2.gz VASZRWBEUIZUTD-BLLLJJGKSA-N 0 0 303.789 3.905 10 0 DHAERN CC(C)(C)OC(=O)N1CC[C@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616674734 435366560 /nfs/dbraw/zinc/36/65/60/435366560.db2.gz MWRBWXKXLCIGRJ-ZDUSSCGKSA-N 0 0 314.389 3.708 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2cccc3cc[nH]c32)cc1OC ZINC000172978820 332820686 /nfs/dbraw/zinc/82/06/86/332820686.db2.gz QQABQQNWBKUHHH-GFCCVEGCSA-N 0 0 324.380 3.676 10 0 DHAERN CCC(O)(CC)CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000174395991 332854399 /nfs/dbraw/zinc/85/43/99/332854399.db2.gz LJHUHEFWZBYYPR-SJORKVTESA-N 0 0 303.446 3.581 10 0 DHAERN Cc1ccc(C(C)(C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000170860212 332888985 /nfs/dbraw/zinc/88/89/85/332888985.db2.gz LLFOFCQFQSQLPY-QGZVFWFLSA-N 0 0 309.409 3.913 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2nccn2c1 ZINC000170865590 332891712 /nfs/dbraw/zinc/89/17/12/332891712.db2.gz OHTPBEQGGTWIAD-LBPRGKRZSA-N 0 0 313.788 3.821 10 0 DHAERN COc1ccc([C@H](C)NC(=O)NCC2(C(C)C)CC2)cc1OC ZINC000175589880 332897254 /nfs/dbraw/zinc/89/72/54/332897254.db2.gz ANORIRLPEHFMOB-ZDUSSCGKSA-N 0 0 320.433 3.500 10 0 DHAERN Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000109082316 331509471 /nfs/dbraw/zinc/50/94/71/331509471.db2.gz HBNWUVLVVNBRNN-ZIAGYGMSSA-N 0 0 319.326 3.832 10 0 DHAERN CCN(C(=O)C1CCC(C(=O)OC)CC1)c1cc(C)cc(C)c1 ZINC000179475339 331524976 /nfs/dbraw/zinc/52/49/76/331524976.db2.gz IILFUVOFQZBYMR-UHFFFAOYSA-N 0 0 317.429 3.636 10 0 DHAERN CC(C)n1nccc1NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179649915 331531506 /nfs/dbraw/zinc/53/15/06/331531506.db2.gz KJGMEKVRXXDMRL-OAHLLOKOSA-N 0 0 316.380 3.802 10 0 DHAERN C[C@@H](NC(=O)Nc1nncs1)c1ccc(C(C)(C)C)cc1 ZINC000047320295 331537017 /nfs/dbraw/zinc/53/70/17/331537017.db2.gz VWHFZPWYPWSIDV-SNVBAGLBSA-N 0 0 304.419 3.718 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H](C)c2ccc(C)c(F)c2)CCO1 ZINC000180420588 331568818 /nfs/dbraw/zinc/56/88/18/331568818.db2.gz XUQYOOUEMQXXEC-NUEKZKHPSA-N 0 0 307.409 3.907 10 0 DHAERN Cc1noc(C2CC2)c1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000185859598 331604472 /nfs/dbraw/zinc/60/44/72/331604472.db2.gz SZMDTKPLDFBZQM-JTQLQIEISA-N 0 0 317.311 3.667 10 0 DHAERN COCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000054009135 331769932 /nfs/dbraw/zinc/76/99/32/331769932.db2.gz DQVJUKVJLSVCJD-IBGZPJMESA-N 0 0 324.424 3.532 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2ccncc2)cc1 ZINC000076956397 331956948 /nfs/dbraw/zinc/95/69/48/331956948.db2.gz NTGRHUBRUSSVQJ-OALUTQOASA-N 0 0 308.425 3.967 10 0 DHAERN Cc1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Br ZINC000085638488 332013974 /nfs/dbraw/zinc/01/39/74/332013974.db2.gz MWJJYPSDEMFFBV-YUTCNCBUSA-N 0 0 310.235 3.983 10 0 DHAERN COCCn1cc(N[C@@H](C)c2cc3c(s2)CCCC3)cn1 ZINC000129396504 332018798 /nfs/dbraw/zinc/01/87/98/332018798.db2.gz AKONXIMRVHZNSF-LBPRGKRZSA-N 0 0 305.447 3.643 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H](OC(F)(F)C(F)(F)F)C1 ZINC000091252504 332101949 /nfs/dbraw/zinc/10/19/49/332101949.db2.gz OQJXYYJGNCOMGF-MRVPVSSYSA-N 0 0 319.270 3.558 10 0 DHAERN O=C(NC1C2CC3CC(C2)CC1C3)c1ncccc1C(F)(F)F ZINC000092296435 332124897 /nfs/dbraw/zinc/12/48/97/332124897.db2.gz XRLGRNGYUBRNIE-UHFFFAOYSA-N 0 0 324.346 3.655 10 0 DHAERN Cc1occc1CN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181475608 332195934 /nfs/dbraw/zinc/19/59/34/332195934.db2.gz PYCVGRGTGKZTNT-SCLBCKFNSA-N 0 0 312.413 3.971 10 0 DHAERN Cc1cc([C@H](C)NC(=O)N[C@H]2CCOc3ccccc32)c(C)o1 ZINC000065501142 335098653 /nfs/dbraw/zinc/09/86/53/335098653.db2.gz DVWIZDIIPDWYTJ-LRDDRELGSA-N 0 0 314.385 3.780 10 0 DHAERN O=C(NCC1(C2CC2)CC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151491637 332581410 /nfs/dbraw/zinc/58/14/10/332581410.db2.gz GRRKEHGWWIEQNG-NWDGAFQWSA-N 0 0 304.356 3.597 10 0 DHAERN Cn1cccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151711045 332605181 /nfs/dbraw/zinc/60/51/81/332605181.db2.gz SNIAXJWPULUBDQ-OAHLLOKOSA-N 0 0 310.397 3.592 10 0 DHAERN C[C@H](COCc1ccccc1)Nc1ccc(C(F)(F)F)nn1 ZINC000179317766 333024726 /nfs/dbraw/zinc/02/47/26/333024726.db2.gz ZYURWWABESJSKS-LLVKDONJSA-N 0 0 311.307 3.513 10 0 DHAERN COCCN[C@@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000053290395 333065614 /nfs/dbraw/zinc/06/56/14/333065614.db2.gz RHBXODWMQCSYHU-OAHLLOKOSA-N 0 0 304.459 3.766 10 0 DHAERN C[C@@H](CC(=O)N[C@@H](C)c1cccs1)C(=O)c1cccc(F)c1 ZINC000173660081 333076652 /nfs/dbraw/zinc/07/66/52/333076652.db2.gz IXCOYIWQMZIKHT-RYUDHWBXSA-N 0 0 319.401 3.974 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCC2(OC)CCC2)o1 ZINC000181797165 333092846 /nfs/dbraw/zinc/09/28/46/333092846.db2.gz WRBRPSLIJJZAKH-OAHLLOKOSA-N 0 0 320.433 3.648 10 0 DHAERN CC(C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1)=C1CCCC1 ZINC000176674608 333117475 /nfs/dbraw/zinc/11/74/75/333117475.db2.gz OLMPNHMVFGTCHW-CQSZACIVSA-N 0 0 303.406 3.747 10 0 DHAERN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)C(C)C)C3)n2)c1 ZINC000065135414 333156507 /nfs/dbraw/zinc/15/65/07/333156507.db2.gz DIUFEERXCIENOH-QGZVFWFLSA-N 0 0 323.440 3.814 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000180738359 333164980 /nfs/dbraw/zinc/16/49/80/333164980.db2.gz AWVCVNRCGHLHEO-SNVBAGLBSA-N 0 0 310.804 3.582 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1scnc1C1CC1)[C@@H](C)C2 ZINC000182208737 333190477 /nfs/dbraw/zinc/19/04/77/333190477.db2.gz ZVJNVSXVFISMRK-XHDPSFHLSA-N 0 0 312.438 3.992 10 0 DHAERN CC1(C)C[C@H](NC(=O)Nc2ccncc2F)c2ccccc2O1 ZINC000184147245 333192324 /nfs/dbraw/zinc/19/23/24/333192324.db2.gz VAGCZQHSOMVJEH-AWEZNQCLSA-N 0 0 315.348 3.645 10 0 DHAERN CC(C)[C@H](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000216284053 333207004 /nfs/dbraw/zinc/20/70/04/333207004.db2.gz RBQDRTAESCCGTJ-IPMKNSEASA-N 0 0 315.457 3.986 10 0 DHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191019354 333276722 /nfs/dbraw/zinc/27/67/22/333276722.db2.gz UFUYQSBHBFMWOL-PBHICJAKSA-N 0 0 310.397 3.811 10 0 DHAERN CSC1(C(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000188205981 333360671 /nfs/dbraw/zinc/36/06/71/333360671.db2.gz GVRZGVNCXUWMOS-ZDUSSCGKSA-N 0 0 307.459 3.794 10 0 DHAERN CSC[C@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000188212279 333360912 /nfs/dbraw/zinc/36/09/12/333360912.db2.gz KRPLRVJKWOXYDN-JGVFFNPUSA-N 0 0 312.237 3.507 10 0 DHAERN CSC[C@@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000188212260 333360948 /nfs/dbraw/zinc/36/09/48/333360948.db2.gz KRPLRVJKWOXYDN-SFYZADRCSA-N 0 0 312.237 3.507 10 0 DHAERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000188262211 333362424 /nfs/dbraw/zinc/36/24/24/333362424.db2.gz UCFZFQNOHCMILS-WBVHZDCISA-N 0 0 303.446 3.546 10 0 DHAERN C[C@@H](COCc1ccccc1)Nc1nnc(C(F)(F)F)s1 ZINC000186097848 333371733 /nfs/dbraw/zinc/37/17/33/333371733.db2.gz QMAYVFYIRRMVFT-VIFPVBQESA-N 0 0 317.336 3.574 10 0 DHAERN Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2N)ccc1Cl ZINC000021015384 333412203 /nfs/dbraw/zinc/41/22/03/333412203.db2.gz QOKIIBYXTDOCHD-NSHDSACASA-N 0 0 304.777 3.637 10 0 DHAERN C[C@@H](NC(=O)c1ccc2c(c1)CCN2)c1ccccc1Cl ZINC000040853883 333541186 /nfs/dbraw/zinc/54/11/86/333541186.db2.gz NLYLBUDGAXWJDQ-LLVKDONJSA-N 0 0 300.789 3.799 10 0 DHAERN Cc1nn(C(=O)OC(C)(C)C)c2c1cccc2Br ZINC000299889037 334258582 /nfs/dbraw/zinc/25/85/82/334258582.db2.gz CMLYHDOQBUYIGV-UHFFFAOYSA-N 0 0 311.179 3.890 10 0 DHAERN C[C@H](NC(=O)NCc1ccoc1)c1ccccc1Br ZINC000049070222 334307327 /nfs/dbraw/zinc/30/73/27/334307327.db2.gz MVBFLIGIBXZFKT-JTQLQIEISA-N 0 0 323.190 3.603 10 0 DHAERN CC[C@H](CC(=O)N1CCc2c(nc(C(C)C)n2C)C1)C(C)C ZINC000112665794 334720770 /nfs/dbraw/zinc/72/07/70/334720770.db2.gz KBAAIIGOXKVUBM-CQSZACIVSA-N 0 0 305.466 3.501 10 0 DHAERN CCCCCN(C(=O)[C@@H](C)NC(=O)Nc1ccccc1)C(C)C ZINC000112875575 334728922 /nfs/dbraw/zinc/72/89/22/334728922.db2.gz ZIORTSIFXMBOEK-OAHLLOKOSA-N 0 0 319.449 3.624 10 0 DHAERN Cc1nc(NC(=O)c2nc(C3CC3)n3ccccc23)sc1C ZINC000074623022 334904437 /nfs/dbraw/zinc/90/44/37/334904437.db2.gz QYSYJRNPYWYQLM-UHFFFAOYSA-N 0 0 312.398 3.537 10 0 DHAERN CC(=O)N(c1nc(CN[C@@H]2C[C@H]2C)cs1)c1ccc(C)cc1 ZINC000113335660 335324968 /nfs/dbraw/zinc/32/49/68/335324968.db2.gz YAPUZOPMEGDSES-MLGOLLRUSA-N 0 0 315.442 3.634 10 0 DHAERN O=C(c1cc(Cl)ccc1Br)N1C[C@@H]2CCC[C@H]21 ZINC000349332713 335664205 /nfs/dbraw/zinc/66/42/05/335664205.db2.gz OMLARALKBXSGTL-QPUJVOFHSA-N 0 0 314.610 3.727 10 0 DHAERN O=C(c1cc(Br)ccc1Cl)N1C[C@@H]2CCC[C@H]21 ZINC000349367673 335667023 /nfs/dbraw/zinc/66/70/23/335667023.db2.gz MNUMMYHWBHDHSL-QPUJVOFHSA-N 0 0 314.610 3.727 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)CNC(=O)CC(C)(C)C)cc1 ZINC000053117941 335834315 /nfs/dbraw/zinc/83/43/15/335834315.db2.gz ZYIUKPGLQGRPEN-AWEZNQCLSA-N 0 0 318.461 3.540 10 0 DHAERN C[C@H](NC(=O)c1ncc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000192227927 336022666 /nfs/dbraw/zinc/02/26/66/336022666.db2.gz QEXHVQBFQBQZKV-ZETCQYMHSA-N 0 0 314.694 3.643 10 0 DHAERN CCC1CCC(NC(=O)N2CCC(c3ccncc3)CC2)CC1 ZINC000192336832 336031494 /nfs/dbraw/zinc/03/14/94/336031494.db2.gz HCCYTVZRYFMUDU-UHFFFAOYSA-N 0 0 315.461 3.939 10 0 DHAERN O=C(CCc1ccccc1Cl)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113898305 336035874 /nfs/dbraw/zinc/03/58/74/336035874.db2.gz ATZURKRITSIGGP-INIZCTEOSA-N 0 0 317.820 3.750 10 0 DHAERN CC(C)C[C@@H](C)n1nccc1NC(=O)C[C@H]1CCCCNC1=O ZINC000330292856 336136045 /nfs/dbraw/zinc/13/60/45/336136045.db2.gz DMDALDQZYURAKA-ZIAGYGMSSA-N 0 0 320.437 3.575 10 0 DHAERN O=C(NC1CCC2(CCOCC2)CC1)NC1CCCCCC1 ZINC000333110721 336198060 /nfs/dbraw/zinc/19/80/60/336198060.db2.gz SBKQSBFCGFXUTE-UHFFFAOYSA-N 0 0 308.466 3.748 10 0 DHAERN CC(C)[C@@H]1N(C(=O)Nc2cccc3[nH]ccc32)C[C@@]12CCCO2 ZINC000333278587 336201091 /nfs/dbraw/zinc/20/10/91/336201091.db2.gz XKZBNOHGQUSTGC-WMZOPIPTSA-N 0 0 313.401 3.589 10 0 DHAERN Cc1nc(C(C)C)oc1Cn1cnc2c(Cl)cccc2c1=O ZINC000333705104 336208500 /nfs/dbraw/zinc/20/85/00/336208500.db2.gz OWKJDVOYJJSFNK-UHFFFAOYSA-N 0 0 317.776 3.518 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nnc(C2CCC2)n1C ZINC000333734760 336208957 /nfs/dbraw/zinc/20/89/57/336208957.db2.gz UTSCJGQPWXHGEY-UHFFFAOYSA-N 0 0 306.435 3.795 10 0 DHAERN CCN(C(=O)[C@H](C)COC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000103373330 336240388 /nfs/dbraw/zinc/24/03/88/336240388.db2.gz ADTNWEPUQKUNLD-VXGBXAGGSA-N 0 0 317.351 3.897 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(OCc2ccc(F)cc2)c1 ZINC000103372584 336240401 /nfs/dbraw/zinc/24/04/01/336240401.db2.gz DWVGWPPJRYCFEE-CYBMUJFWSA-N 0 0 317.360 3.626 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000103384478 336241335 /nfs/dbraw/zinc/24/13/35/336241335.db2.gz PPYKPAQZOORTTA-GFCCVEGCSA-N 0 0 303.333 3.839 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(Cl)s2)o1 ZINC000043720586 336271339 /nfs/dbraw/zinc/27/13/39/336271339.db2.gz JXICEXSVHKPQBK-SNVBAGLBSA-N 0 0 312.822 3.906 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1 ZINC000043724756 336271516 /nfs/dbraw/zinc/27/15/16/336271516.db2.gz UOWLTXLXCHVZFZ-NEPJUHHUSA-N 0 0 312.373 3.586 10 0 DHAERN C[C@H](NC(=O)NCCCCCO)c1ccc(Cl)c(Cl)c1 ZINC000193011239 336286976 /nfs/dbraw/zinc/28/69/76/336286976.db2.gz UQIJPZQXZMKZIJ-JTQLQIEISA-N 0 0 319.232 3.516 10 0 DHAERN COC(=O)N1CCC[C@@H](Nc2cc3ccccc3c(Cl)n2)C1 ZINC000301161719 336292610 /nfs/dbraw/zinc/29/26/10/336292610.db2.gz HLTXBLBNCHICNF-GFCCVEGCSA-N 0 0 319.792 3.531 10 0 DHAERN CC(C)c1nc(CNc2nccc(C(F)(F)F)n2)cs1 ZINC000301196632 336294442 /nfs/dbraw/zinc/29/44/42/336294442.db2.gz ZGHRNHCKTJTNNW-UHFFFAOYSA-N 0 0 302.325 3.687 10 0 DHAERN Cc1cc(NC[C@@]2(O)CCCc3ccccc32)nc(C(C)C)n1 ZINC000301216176 336295270 /nfs/dbraw/zinc/29/52/70/336295270.db2.gz YZFXRGUTMIEUSA-IBGZPJMESA-N 0 0 311.429 3.544 10 0 DHAERN Cn1ncc(NC(C2CCCC2)C2CCCC2)c(Cl)c1=O ZINC000301259757 336297194 /nfs/dbraw/zinc/29/71/94/336297194.db2.gz CMFSSDCWTHVKDB-UHFFFAOYSA-N 0 0 309.841 3.595 10 0 DHAERN C[C@@H]1SCCN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]1C ZINC000301263717 336297491 /nfs/dbraw/zinc/29/74/91/336297491.db2.gz DUVCYKDAGHVMOK-RYUDHWBXSA-N 0 0 319.405 3.738 10 0 DHAERN CN(c1ncnc2cc(Cl)ccc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000301329559 336300891 /nfs/dbraw/zinc/30/08/91/336300891.db2.gz CWFQUEBIZOPRAZ-NWANDNLSSA-N 0 0 317.820 3.533 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)c2ccnc(C3CC3)n2)C12CCCC2 ZINC000301342221 336301614 /nfs/dbraw/zinc/30/16/14/336301614.db2.gz IKUUSKQRRICRCO-HUUCEWRRSA-N 0 0 301.434 3.528 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000301412305 336304983 /nfs/dbraw/zinc/30/49/83/336304983.db2.gz APGVEZHICCFMMB-WFASDCNBSA-N 0 0 321.852 3.962 10 0 DHAERN C[C@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)[C@H]1C ZINC000301494691 336310241 /nfs/dbraw/zinc/31/02/41/336310241.db2.gz RZZXCWGQNRGZSG-QWRGUYRKSA-N 0 0 322.334 3.792 10 0 DHAERN C[C@H](CO[C@H]1CCOC1)Nc1ccc2c(Cl)ccnc2c1F ZINC000301589499 336316718 /nfs/dbraw/zinc/31/67/18/336316718.db2.gz XDJREEVUGOAPSQ-MNOVXSKESA-N 0 0 324.783 3.633 10 0 DHAERN COCC[C@@H](Nc1cc(C)nc(C)n1)c1ccc(Cl)cc1 ZINC000301641901 336320076 /nfs/dbraw/zinc/32/00/76/336320076.db2.gz MOIXBRPNAYSCSL-OAHLLOKOSA-N 0 0 305.809 3.937 10 0 DHAERN Clc1cccc(-c2noc(N[C@@H]3CCC[C@H]4OCC[C@@H]43)n2)c1 ZINC000301682896 336323254 /nfs/dbraw/zinc/32/32/54/336323254.db2.gz VVLUWOPRNWDVRA-MGPQQGTHSA-N 0 0 319.792 3.760 10 0 DHAERN CC(C)(C)c1cn2nc(Oc3ccc(Cl)nc3)sc2n1 ZINC000301732855 336326322 /nfs/dbraw/zinc/32/63/22/336326322.db2.gz ABDPINDFBLASGQ-UHFFFAOYSA-N 0 0 308.794 3.929 10 0 DHAERN Fc1ccc2[nH]c(CCNc3cc(C(F)(F)F)ccn3)nc2c1 ZINC000301743254 336327030 /nfs/dbraw/zinc/32/70/30/336327030.db2.gz ZDDXPLYIYPAGLZ-UHFFFAOYSA-N 0 0 324.281 3.770 10 0 DHAERN CCc1nc2sccc2c(N[C@H]2CCCCC[C@@H]2CO)n1 ZINC000301855650 336334464 /nfs/dbraw/zinc/33/44/64/336334464.db2.gz YSRUFPDXFFKOBA-YPMHNXCESA-N 0 0 305.447 3.607 10 0 DHAERN Brc1ccc(CCNc2nc3ccccc3[nH]2)o1 ZINC000301883976 336336078 /nfs/dbraw/zinc/33/60/78/336336078.db2.gz NSAYRTOBEFZIEI-UHFFFAOYSA-N 0 0 306.163 3.573 10 0 DHAERN C[C@H]1CCN(c2nc(-c3ccccc3)nc3ccccc32)C[C@H]1O ZINC000301956441 336339885 /nfs/dbraw/zinc/33/98/85/336339885.db2.gz LSHXEUFGOYXDIP-KBXCAEBGSA-N 0 0 319.408 3.504 10 0 DHAERN CCc1cc(N[C@H](C)c2ccc(-c3cncnc3)cc2)nc(C)n1 ZINC000302101041 336348444 /nfs/dbraw/zinc/34/84/44/336348444.db2.gz PXPCUMSKPGMLBT-CYBMUJFWSA-N 0 0 319.412 3.978 10 0 DHAERN C[C@@](O)(CNc1nc2cc(F)ccc2o1)c1ccccc1Cl ZINC000302190333 336353267 /nfs/dbraw/zinc/35/32/67/336353267.db2.gz YIUQUCRVPXLDTH-MRXNPFEDSA-N 0 0 320.751 3.940 10 0 DHAERN Cc1cncc(N[C@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000302245523 336356068 /nfs/dbraw/zinc/35/60/68/336356068.db2.gz ZZBUGTNYVZLGAD-OLZOCXBDSA-N 0 0 304.191 3.516 10 0 DHAERN CC(C)Cc1nsc(N[C@@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000302285265 336356695 /nfs/dbraw/zinc/35/66/95/336356695.db2.gz LKMGCGBTHAGIRT-UKRRQHHQSA-N 0 0 303.431 3.679 10 0 DHAERN Cc1nc(N2CCCC2)ccc1Nc1nc(C(C)(C)C)ns1 ZINC000302510243 336360433 /nfs/dbraw/zinc/36/04/33/336360433.db2.gz NVTLPROTKOJCFC-UHFFFAOYSA-N 0 0 317.462 3.883 10 0 DHAERN CO[C@@H]1CN(c2ccc3c(Cl)ccnc3c2F)CC[C@H]1C ZINC000302588602 336362096 /nfs/dbraw/zinc/36/20/96/336362096.db2.gz VWJVWTITZIMMMJ-QMTHXVAHSA-N 0 0 308.784 3.889 10 0 DHAERN COC(=O)c1ccc(CNc2c(C)c(C)[nH+]c3ccccc32)o1 ZINC000302729050 336366884 /nfs/dbraw/zinc/36/68/84/336366884.db2.gz QWOBMNPXZWNNDU-UHFFFAOYSA-N 0 0 310.353 3.843 10 0 DHAERN FC(F)(F)c1cnc(NCCCc2cc[nH]n2)c(Cl)c1 ZINC000302773094 336368408 /nfs/dbraw/zinc/36/84/08/336368408.db2.gz NPRPUNZBGCVTAT-UHFFFAOYSA-N 0 0 304.703 3.522 10 0 DHAERN FC(F)(F)c1cnc(N[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000302776497 336368635 /nfs/dbraw/zinc/36/86/35/336368635.db2.gz OWXZVCBVBQZCPH-SNVBAGLBSA-N 0 0 313.348 3.853 10 0 DHAERN COCCc1nsc(N[C@@H](c2cccs2)C(C)(C)C)n1 ZINC000302838103 336371553 /nfs/dbraw/zinc/37/15/53/336371553.db2.gz YFRBLMYTCXQRPS-LBPRGKRZSA-N 0 0 311.476 3.988 10 0 DHAERN C[C@@H](N[C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000389492936 336396684 /nfs/dbraw/zinc/39/66/84/336396684.db2.gz UWMFCPXALQZOEP-QJPTWQEYSA-N 0 0 324.387 3.562 10 0 DHAERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000367168842 336464796 /nfs/dbraw/zinc/46/47/96/336464796.db2.gz XMEQVCKUHYVPJF-LZWOXQAQSA-N 0 0 320.433 3.720 10 0 DHAERN CCO[C@@H](CNC(=O)N[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000193350551 336697043 /nfs/dbraw/zinc/69/70/43/336697043.db2.gz VBDCCQYREHKAMQ-PBHICJAKSA-N 0 0 316.401 3.726 10 0 DHAERN O=C(NCCc1cc(F)cc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000116426499 336840280 /nfs/dbraw/zinc/84/02/80/336840280.db2.gz CGVFTLRLDAOVHU-HNNXBMFYSA-N 0 0 320.339 3.647 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000117255295 336853432 /nfs/dbraw/zinc/85/34/32/336853432.db2.gz UOLFQYNUVZJXMH-HZPDHXFCSA-N 0 0 320.481 3.611 10 0 DHAERN CS[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H]2c2ccco2)C1 ZINC000117508391 336856176 /nfs/dbraw/zinc/85/61/76/336856176.db2.gz VVXGEMJLWGNYLO-BFHYXJOUSA-N 0 0 308.447 3.800 10 0 DHAERN CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119116541 336880578 /nfs/dbraw/zinc/88/05/78/336880578.db2.gz USQXYVIRUUQPFB-MLGOLLRUSA-N 0 0 324.465 3.986 10 0 DHAERN Cc1cc(NC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)ccn1 ZINC000119183521 336881388 /nfs/dbraw/zinc/88/13/88/336881388.db2.gz CKFSVFPPVNJDDT-AWEZNQCLSA-N 0 0 323.318 3.685 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)N1Cc2ccccc2C1 ZINC000119275245 336883904 /nfs/dbraw/zinc/88/39/04/336883904.db2.gz HBELSSIGDAVOOD-SFHVURJKSA-N 0 0 310.372 3.929 10 0 DHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000120505840 336914587 /nfs/dbraw/zinc/91/45/87/336914587.db2.gz TUWWWJGUKQDDGB-SMDDNHRTSA-N 0 0 317.389 3.535 10 0 DHAERN C[C@@H]1CC[C@H](C)N1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121134827 336931819 /nfs/dbraw/zinc/93/18/19/336931819.db2.gz VCCPESWDTNSKTA-VNHYZAJKSA-N 0 0 302.418 3.871 10 0 DHAERN CCc1onc(C)c1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121393587 336947048 /nfs/dbraw/zinc/94/70/48/336947048.db2.gz ZUAXZYZAUCPMMF-ZDUSSCGKSA-N 0 0 314.385 3.578 10 0 DHAERN CCc1onc(C)c1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121393455 336947074 /nfs/dbraw/zinc/94/70/74/336947074.db2.gz ZUAXZYZAUCPMMF-CYBMUJFWSA-N 0 0 314.385 3.578 10 0 DHAERN Cc1nc(C[C@H]2CCCN(C(=O)CC3(C)CCCCC3)C2)no1 ZINC000121771132 336977458 /nfs/dbraw/zinc/97/74/58/336977458.db2.gz XCYPPHFOVPKHKY-OAHLLOKOSA-N 0 0 319.449 3.520 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193852037 337079553 /nfs/dbraw/zinc/07/95/53/337079553.db2.gz NAVCTAZJBYGNHE-KSSFIOAISA-N 0 0 308.425 3.941 10 0 DHAERN Cc1ccccc1C1(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000170701318 337082867 /nfs/dbraw/zinc/08/28/67/337082867.db2.gz OTMRJVDVZWECSM-KRWDZBQOSA-N 0 0 307.393 3.667 10 0 DHAERN C[C@@H]1C[C@H](CC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000171348241 337086288 /nfs/dbraw/zinc/08/62/88/337086288.db2.gz KXZATCIIFOMARO-BFYDXBDKSA-N 0 0 317.477 3.936 10 0 DHAERN Cc1nc(-c2ccco2)ccc1C(=O)N[C@@H]1COc2ccccc21 ZINC000171032686 337086522 /nfs/dbraw/zinc/08/65/22/337086522.db2.gz RCOWKARJIYZPQX-MRXNPFEDSA-N 0 0 320.348 3.514 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171454764 337087374 /nfs/dbraw/zinc/08/73/74/337087374.db2.gz ORYOCHGSTJRJKM-ZBFHGGJFSA-N 0 0 306.454 3.626 10 0 DHAERN CCCc1ccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000171508825 337087610 /nfs/dbraw/zinc/08/76/10/337087610.db2.gz JZRDLAWVJRAKLQ-QGZVFWFLSA-N 0 0 312.417 3.742 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1 ZINC000171721495 337088863 /nfs/dbraw/zinc/08/88/63/337088863.db2.gz SUKRYRWMEYZTHA-LLVKDONJSA-N 0 0 319.455 3.779 10 0 DHAERN C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@@H]1c1ccco1 ZINC000172029915 337090984 /nfs/dbraw/zinc/09/09/84/337090984.db2.gz SESOXJKMOZQUJT-SMDDNHRTSA-N 0 0 320.339 3.722 10 0 DHAERN C[C@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000172035731 337090990 /nfs/dbraw/zinc/09/09/90/337090990.db2.gz UETBRFCAWMREAS-STQMWFEESA-N 0 0 301.411 3.882 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)NC(CC)CC)C2)n1 ZINC000172236481 337091415 /nfs/dbraw/zinc/09/14/15/337091415.db2.gz FREXVANVJUQTJE-LBPRGKRZSA-N 0 0 309.479 3.783 10 0 DHAERN Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ccco3)[nH]n2)o1 ZINC000172295323 337091703 /nfs/dbraw/zinc/09/17/03/337091703.db2.gz MVLAIQUNMAMTLL-AWEZNQCLSA-N 0 0 311.341 3.548 10 0 DHAERN COCc1cc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)no1 ZINC000173076668 337131967 /nfs/dbraw/zinc/13/19/67/337131967.db2.gz IXHYWRXAXACIEI-CYBMUJFWSA-N 0 0 316.401 3.511 10 0 DHAERN CSc1ccccc1C(=O)N[C@@H](C)COCc1ccccc1 ZINC000172951974 337132602 /nfs/dbraw/zinc/13/26/02/337132602.db2.gz JBXNQBXZOJFJNW-AWEZNQCLSA-N 0 0 315.438 3.744 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000172975397 337132744 /nfs/dbraw/zinc/13/27/44/337132744.db2.gz HOZPPEDVCZGBQO-HOCLYGCPSA-N 0 0 321.465 3.766 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000173057626 337133429 /nfs/dbraw/zinc/13/34/29/337133429.db2.gz AOOPWTHDPZDTAI-ZBFHGGJFSA-N 0 0 321.465 3.766 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000173121322 337134451 /nfs/dbraw/zinc/13/44/51/337134451.db2.gz ZLSCOGWIXIJUIB-HOTGVXAUSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H]3CCC[C@H](C)C3)C2)n1 ZINC000173411364 337135085 /nfs/dbraw/zinc/13/50/85/337135085.db2.gz WNEFFSMWECXZEW-AEGPPILISA-N 0 0 306.475 3.984 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000173411297 337135098 /nfs/dbraw/zinc/13/50/98/337135098.db2.gz MEVXZZIDWXDZTF-ZDUSSCGKSA-N 0 0 301.415 3.863 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)OCCC(C)C)C2)n1 ZINC000173426705 337135175 /nfs/dbraw/zinc/13/51/75/337135175.db2.gz LRXUGYOZFKOSCB-CABCVRRESA-N 0 0 324.490 3.609 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000173414864 337135188 /nfs/dbraw/zinc/13/51/88/337135188.db2.gz ZDHPHTOMMHIHGH-GFCCVEGCSA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCc3cccs3)C2)n1 ZINC000173475181 337135391 /nfs/dbraw/zinc/13/53/91/337135391.db2.gz MRQKWZOWNQMURR-LBPRGKRZSA-N 0 0 321.471 3.602 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCC2CCOCC2)o1 ZINC000173755388 337136045 /nfs/dbraw/zinc/13/60/45/337136045.db2.gz XYBHXGQTSYXQIE-MRXNPFEDSA-N 0 0 305.418 3.848 10 0 DHAERN O=C([C@@H]1SCCc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000173509647 337136163 /nfs/dbraw/zinc/13/61/63/337136163.db2.gz CFEIYLNYLYMOMC-NVXWUHKLSA-N 0 0 313.422 3.974 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000173600986 337136743 /nfs/dbraw/zinc/13/67/43/337136743.db2.gz HRSKBWYEEHEWBH-CVEARBPZSA-N 0 0 320.481 3.611 10 0 DHAERN CSCCCN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601159 337136763 /nfs/dbraw/zinc/13/67/63/337136763.db2.gz UNTMCANPPMHDMG-GFCCVEGCSA-N 0 0 314.520 3.567 10 0 DHAERN Cc1ccc(CC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000173939396 337137684 /nfs/dbraw/zinc/13/76/84/337137684.db2.gz OQEDJHWPHPDXQR-MRXNPFEDSA-N 0 0 319.408 3.601 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000173943300 337137743 /nfs/dbraw/zinc/13/77/43/337137743.db2.gz AJLKAMXCOYEXIS-HNNXBMFYSA-N 0 0 305.381 3.672 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173937923 337137784 /nfs/dbraw/zinc/13/77/84/337137784.db2.gz NRJDOUTVFMPMAV-VYDXJSESSA-N 0 0 311.429 3.876 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@H](C)C3CCCC3)C2)n1 ZINC000174920378 337143639 /nfs/dbraw/zinc/14/36/39/337143639.db2.gz OJLLBVHOWLUKDE-HIFRSBDPSA-N 0 0 321.490 3.919 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC000175384187 337145633 /nfs/dbraw/zinc/14/56/33/337145633.db2.gz GRKVVUCBLMOFIE-OAHLLOKOSA-N 0 0 305.466 3.681 10 0 DHAERN COc1cccc([C@H](C)N2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000175617967 337148578 /nfs/dbraw/zinc/14/85/78/337148578.db2.gz HHJYEMGLIYLJDJ-BBRMVZONSA-N 0 0 318.442 3.595 10 0 DHAERN CSCCCCNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000176378711 337151025 /nfs/dbraw/zinc/15/10/25/337151025.db2.gz LXBPLZUXBFURCZ-LBPRGKRZSA-N 0 0 313.492 3.523 10 0 DHAERN CCCCCCC(=O)N1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000176408419 337151119 /nfs/dbraw/zinc/15/11/19/337151119.db2.gz RBXXOWRNCPHNIC-HNNXBMFYSA-N 0 0 318.465 3.638 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000177166997 337154521 /nfs/dbraw/zinc/15/45/21/337154521.db2.gz LTRLKTJFYXJNTE-CRAIPNDOSA-N 0 0 317.477 3.789 10 0 DHAERN O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCOc2ccccc21 ZINC000178356769 337164082 /nfs/dbraw/zinc/16/40/82/337164082.db2.gz ICSICIDKIIYJMX-HNNXBMFYSA-N 0 0 319.763 3.662 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCCC(C)(C)C3)C2)c1 ZINC000178886446 337167347 /nfs/dbraw/zinc/16/73/47/337167347.db2.gz VZENPVZYVIJLIF-JKSUJKDBSA-N 0 0 303.450 3.571 10 0 DHAERN Cc1scc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)c1C ZINC000179645902 337170691 /nfs/dbraw/zinc/17/06/91/337170691.db2.gz VYLSNNPQOVHKAT-LLVKDONJSA-N 0 0 317.410 3.627 10 0 DHAERN O=C(Nc1ncccc1Cl)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000179960011 337172900 /nfs/dbraw/zinc/17/29/00/337172900.db2.gz PONRIQJVVINWIT-ZJUUUORDSA-N 0 0 308.715 3.755 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H](C)CC(C)(C)C3)C2)c1 ZINC000180089589 337173668 /nfs/dbraw/zinc/17/36/68/337173668.db2.gz WIORXANXACNYIQ-USXIJHARSA-N 0 0 317.477 3.817 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000180582023 337176524 /nfs/dbraw/zinc/17/65/24/337176524.db2.gz WNDQZUXUMOFNHC-YSVLISHTSA-N 0 0 305.393 3.525 10 0 DHAERN C[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1cccs1 ZINC000180641642 337176999 /nfs/dbraw/zinc/17/69/99/337176999.db2.gz ARSSFYDCCCRDCE-LBPRGKRZSA-N 0 0 311.410 3.640 10 0 DHAERN CCn1c(C)nnc1CN[C@H](C)c1ccc(-c2ccncc2)cc1 ZINC000180887845 337178415 /nfs/dbraw/zinc/17/84/15/337178415.db2.gz BIKINRAGWSGSML-CQSZACIVSA-N 0 0 321.428 3.519 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000181202903 337180224 /nfs/dbraw/zinc/18/02/24/337180224.db2.gz HMUNBYUBTFITQW-IAGOWNOFSA-N 0 0 305.466 3.789 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000181184338 337182181 /nfs/dbraw/zinc/18/21/81/337182181.db2.gz OMOLRZWDMBLOQL-UONOGXRCSA-N 0 0 308.491 3.997 10 0 DHAERN CCCCc1nnc(NCc2c[nH]nc2-c2ccc(C)cc2)o1 ZINC000181665536 337183679 /nfs/dbraw/zinc/18/36/79/337183679.db2.gz WABWVDMVPHGTJY-UHFFFAOYSA-N 0 0 311.389 3.723 10 0 DHAERN O=C(NCc1ccc(Cl)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182376455 337188097 /nfs/dbraw/zinc/18/80/97/337188097.db2.gz AVUKXJWUUDDRNH-GFCCVEGCSA-N 0 0 324.837 3.561 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000182368921 337188102 /nfs/dbraw/zinc/18/81/02/337188102.db2.gz OTMOBSXTPZJGQL-NSHDSACASA-N 0 0 307.390 3.833 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC(C)(C)C1 ZINC000183036316 337191006 /nfs/dbraw/zinc/19/10/06/337191006.db2.gz OJWWSDJXZPWGIL-WDEREUQCSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343130 337191513 /nfs/dbraw/zinc/19/15/13/337191513.db2.gz VKGHCQMCUREBSA-HOCLYGCPSA-N 0 0 311.429 3.907 10 0 DHAERN Cc1c2ccccc2oc1[C@@H](C)NCc1nnc(C2CC2)n1C ZINC000183535449 337192198 /nfs/dbraw/zinc/19/21/98/337192198.db2.gz NSRIRZYFYBCDLY-GFCCVEGCSA-N 0 0 310.401 3.598 10 0 DHAERN C[C@H]1C[C@@H](C(=O)NCCCCNc2ccccn2)CC(C)(C)C1 ZINC000183662962 337194000 /nfs/dbraw/zinc/19/40/00/337194000.db2.gz PLTNCSGLMJKKLT-JKSUJKDBSA-N 0 0 317.477 3.852 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CC(C)(C)C1 ZINC000183888874 337195236 /nfs/dbraw/zinc/19/52/36/337195236.db2.gz IGXNTCMQKLMRTJ-NVXWUHKLSA-N 0 0 317.477 3.584 10 0 DHAERN CCCCn1cc(C(=O)N2CCC[C@@H]2c2ccco2)c(C)n1 ZINC000184551498 337198402 /nfs/dbraw/zinc/19/84/02/337198402.db2.gz SWHRXOFLTKARAP-OAHLLOKOSA-N 0 0 301.390 3.562 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2ccc(C)c(Br)c2)o1 ZINC000226617144 337199992 /nfs/dbraw/zinc/19/99/92/337199992.db2.gz JFNYUBWLGXRHLA-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN CC(=O)CCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000184849667 337200533 /nfs/dbraw/zinc/20/05/33/337200533.db2.gz FTYQBPSPVWRFTQ-INIZCTEOSA-N 0 0 315.413 3.699 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CNc2nnc(C(F)F)s2)cc1 ZINC000184860853 337200656 /nfs/dbraw/zinc/20/06/56/337200656.db2.gz UDQKUSFFDLSMSZ-UHFFFAOYSA-N 0 0 321.356 3.786 10 0 DHAERN C=Cc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000185273180 337203891 /nfs/dbraw/zinc/20/38/91/337203891.db2.gz KOIPSQDEALNJIU-QGZVFWFLSA-N 0 0 309.413 3.657 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cc2c(cccc2F)[nH]1 ZINC000023877029 337249966 /nfs/dbraw/zinc/24/99/66/337249966.db2.gz YWIUUFRQZVEQLR-OAHLLOKOSA-N 0 0 310.328 3.561 10 0 DHAERN CCC1(C(=O)N2CCC[C@@H](Cc3noc(C)n3)C2)CCCCC1 ZINC000185828403 337250483 /nfs/dbraw/zinc/25/04/83/337250483.db2.gz JQPDZDPJCXWWPT-HNNXBMFYSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000185880260 337252365 /nfs/dbraw/zinc/25/23/65/337252365.db2.gz JQBHVMIWEVHSCB-LIRRHRJNSA-N 0 0 313.397 3.508 10 0 DHAERN CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187661998 337267827 /nfs/dbraw/zinc/26/78/27/337267827.db2.gz PTANCLYBSDDUHV-CQSZACIVSA-N 0 0 322.408 3.622 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000188135692 337271005 /nfs/dbraw/zinc/27/10/05/337271005.db2.gz BTTBHHWCJLPXPZ-LRDDRELGSA-N 0 0 307.821 3.646 10 0 DHAERN CCc1ccc(CN(C(=O)[C@@H]2CCCO[C@@H]2C)C2CC2)cc1 ZINC000188140486 337271018 /nfs/dbraw/zinc/27/10/18/337271018.db2.gz IUOOJSHUFYCUBQ-RDTXWAMCSA-N 0 0 301.430 3.555 10 0 DHAERN CCc1ccc(CN(C(=O)[C@H]2CCCO[C@H]2C)C2CC2)cc1 ZINC000188140559 337271117 /nfs/dbraw/zinc/27/11/17/337271117.db2.gz IUOOJSHUFYCUBQ-KSSFIOAISA-N 0 0 301.430 3.555 10 0 DHAERN Cc1cnc([C@H](C)NCc2cccc(F)c2Br)o1 ZINC000231742296 337277978 /nfs/dbraw/zinc/27/79/78/337277978.db2.gz IWQWBPMXFHWGJZ-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN CCC(C)(C)CNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000190781729 337290749 /nfs/dbraw/zinc/29/07/49/337290749.db2.gz TVOATWVLXHXBTL-CYBMUJFWSA-N 0 0 309.479 3.777 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc(-n2cccn2)cc1)c1cccs1 ZINC000192918762 337307572 /nfs/dbraw/zinc/30/75/72/337307572.db2.gz MQBHLXFYLRKLSC-GFCCVEGCSA-N 0 0 312.398 3.817 10 0 DHAERN CCOC(=O)[C@H](N[C@@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000192944732 337308532 /nfs/dbraw/zinc/30/85/32/337308532.db2.gz USGFWFRBZHZXPF-BLLLJJGKSA-N 0 0 318.804 3.690 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc(C)c1Br ZINC000235311012 337308962 /nfs/dbraw/zinc/30/89/62/337308962.db2.gz KRFZEOJSEGLSSR-PWSUYJOCSA-N 0 0 312.207 3.572 10 0 DHAERN Cc1cc(NC(=O)[C@H]2CC[C@@H](C)O2)cc(C)c1Br ZINC000235347568 337309112 /nfs/dbraw/zinc/30/91/12/337309112.db2.gz KRFZEOJSEGLSSR-ZYHUDNBSSA-N 0 0 312.207 3.572 10 0 DHAERN CCOP(=O)(OCC)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000584601780 337370963 /nfs/dbraw/zinc/37/09/63/337370963.db2.gz CDKABUYECAMXHY-NSHDSACASA-N 0 0 312.224 3.962 10 0 DHAERN O[C@H]1CC[C@H](C(F)(F)Oc2ccc(Br)cc2)CC1 ZINC000584601274 337370849 /nfs/dbraw/zinc/37/08/49/337370849.db2.gz IWJDPLDNQDQHEX-HOMQSWHASA-N 0 0 321.161 3.972 10 0 DHAERN COCCCOc1cc2c(cc1Cl)C=N[C@@H](C1(C)CC1)C2 ZINC000584605629 337371614 /nfs/dbraw/zinc/37/16/14/337371614.db2.gz CGXBAYKJOPYHLH-MRXNPFEDSA-N 0 0 307.821 3.899 10 0 DHAERN CC(=O)O/C(Cl)=C/OCc1ccc(Br)cc1 ZINC000584611270 337372183 /nfs/dbraw/zinc/37/21/83/337372183.db2.gz XCXWGBJKVYLFPM-YRNVUSSQSA-N 0 0 305.555 3.567 10 0 DHAERN COC(=O)C1=C(Cc2cc(OC)cc(OC)c2)CCCCC1 ZINC000584616519 337372890 /nfs/dbraw/zinc/37/28/90/337372890.db2.gz SBNVCEBHZUEZAS-UHFFFAOYSA-N 0 0 304.386 3.680 10 0 DHAERN COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@](C)(C(C)(C)O)[C@H]1CO ZINC000584617794 337373047 /nfs/dbraw/zinc/37/30/47/337373047.db2.gz PYNGEQFAUOOQNT-XSYGEPLQSA-N 0 0 318.457 3.521 10 0 DHAERN OCc1cc2c(cnn2-c2ccccc2C(F)(F)F)cc1F ZINC000584617752 337373162 /nfs/dbraw/zinc/37/31/62/337373162.db2.gz IWRNRKKLIRDKDJ-UHFFFAOYSA-N 0 0 310.250 3.676 10 0 DHAERN CC(=O)Nc1nc(-c2cc(C)cc(OC(F)(F)F)c2)cs1 ZINC000584591124 337373472 /nfs/dbraw/zinc/37/34/72/337373472.db2.gz IYNMNWRLQZWBMJ-UHFFFAOYSA-N 0 0 316.304 3.976 10 0 DHAERN CCOC(=O)[C@@H](c1cccc(C)c1)P(=O)(OCC)OCC ZINC000584595525 337373927 /nfs/dbraw/zinc/37/39/27/337373927.db2.gz DMPUTAVQLVMEPN-CQSZACIVSA-N 0 0 314.318 3.865 10 0 DHAERN COC(=O)c1cc(-c2ccc(F)cn2)c(Cl)cc1Cl ZINC000584597205 337374351 /nfs/dbraw/zinc/37/43/51/337374351.db2.gz BZUGHORGNLTUPG-UHFFFAOYSA-N 0 0 300.116 3.981 10 0 DHAERN CCOC(=O)C[C@H](OC)c1cccc(OCc2ccccc2)c1 ZINC000584596983 337374398 /nfs/dbraw/zinc/37/43/98/337374398.db2.gz XCQVTNZZKFIEQF-SFHVURJKSA-N 0 0 314.381 3.906 10 0 DHAERN O=C(c1ccc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCCCC1 ZINC000584621865 337374898 /nfs/dbraw/zinc/37/48/98/337374898.db2.gz JNWYCJUOCBEITK-UHFFFAOYSA-N 0 0 316.788 3.734 10 0 DHAERN CCOC(=O)[C@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000584622621 337375136 /nfs/dbraw/zinc/37/51/36/337375136.db2.gz MCJIBWHOGSZAJS-MRXNPFEDSA-N 0 0 302.320 3.834 10 0 DHAERN CC(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)C(F)(F)F ZINC000584623888 337375212 /nfs/dbraw/zinc/37/52/12/337375212.db2.gz BWZCYXMGMIRUEN-MRVPVSSYSA-N 0 0 313.102 3.873 10 0 DHAERN COc1ccc([C@@]2(O)CCc3cc(OC)ccc3C2(C)C)cc1 ZINC000584626965 337376092 /nfs/dbraw/zinc/37/60/92/337376092.db2.gz VPIWYTRKRYTGQL-FQEVSTJZSA-N 0 0 312.409 3.815 10 0 DHAERN CCOC(=O)c1cc(-c2ccc(OC(F)F)cc2Cl)on1 ZINC000584631938 337376933 /nfs/dbraw/zinc/37/69/33/337376933.db2.gz DQDBXEVNEUWTFU-UHFFFAOYSA-N 0 0 317.675 3.773 10 0 DHAERN CON(C(=O)c1cccnc1C(F)F)[C@@H](C)Cc1ccccc1 ZINC000584632146 337377249 /nfs/dbraw/zinc/37/72/49/337377249.db2.gz DOVZHQFIIRWQDR-LBPRGKRZSA-N 0 0 320.339 3.654 10 0 DHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@H]4[C@H]3CC[C@]12C ZINC000584637613 337379502 /nfs/dbraw/zinc/37/95/02/337379502.db2.gz PAQMLKWLUJRPOA-GAXNORQESA-N 0 0 320.473 3.932 10 0 DHAERN C[Si](C)(C)c1c(Cl)oc2c1nccc2Br ZINC000584640170 337379908 /nfs/dbraw/zinc/37/99/08/337379908.db2.gz LQIZQWYYZZXSEG-UHFFFAOYSA-N 0 0 304.647 3.789 10 0 DHAERN CCn1c2ccc(OC(C)=O)cc2c2cc(OC(C)=O)ccc21 ZINC000584641045 337379988 /nfs/dbraw/zinc/37/99/88/337379988.db2.gz KOKFEZTVKABEJR-UHFFFAOYSA-N 0 0 311.337 3.665 10 0 DHAERN COC(=O)c1nc2ccc3ccccc3n2c1-c1ccccc1 ZINC000584652963 337381167 /nfs/dbraw/zinc/38/11/67/337381167.db2.gz ZJOLEBMFBQPPPY-UHFFFAOYSA-N 0 0 302.333 3.941 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC000105846344 337386808 /nfs/dbraw/zinc/38/68/08/337386808.db2.gz DYCLMBVNEYUKAZ-HNNXBMFYSA-N 0 0 317.820 3.668 10 0 DHAERN CCC1CCC(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000106538581 337387090 /nfs/dbraw/zinc/38/70/90/337387090.db2.gz VDFLONXSEDYVAS-YMAMQOFZSA-N 0 0 304.438 3.615 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H]2c2ccco2)nn1-c1ccccc1 ZINC000116042923 337392251 /nfs/dbraw/zinc/39/22/51/337392251.db2.gz ZEASEEXWHJMDQE-KRWDZBQOSA-N 0 0 321.380 3.751 10 0 DHAERN CCCCC1CCC(C(=O)N2CC[C@H](c3cnn(C)c3)C2)CC1 ZINC000116123286 337392362 /nfs/dbraw/zinc/39/23/62/337392362.db2.gz BRICWDBGPHWJJR-JCYILVPMSA-N 0 0 317.477 3.733 10 0 DHAERN COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000116048954 337392399 /nfs/dbraw/zinc/39/23/99/337392399.db2.gz DFCCYVXCIGOENF-OAHLLOKOSA-N 0 0 317.360 3.724 10 0 DHAERN O=C(CN1CCC[C@@H]1c1ccco1)N[C@@H](c1ccccc1)C1CC1 ZINC000116293986 337392438 /nfs/dbraw/zinc/39/24/38/337392438.db2.gz RBQBHVMIIJLSBW-XLIONFOSSA-N 0 0 324.424 3.684 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)Cc1ccccc1F)c1cccs1 ZINC000054621871 337394514 /nfs/dbraw/zinc/39/45/14/337394514.db2.gz NQEWCFTVGHKDMO-NWDGAFQWSA-N 0 0 306.406 3.879 10 0 DHAERN COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000123543814 337399840 /nfs/dbraw/zinc/39/98/40/337399840.db2.gz RXMFRLIGZWWILB-HUUCEWRRSA-N 0 0 322.449 3.507 10 0 DHAERN CC(C)(C)c1ccc(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000125078932 337409341 /nfs/dbraw/zinc/40/93/41/337409341.db2.gz YFSKCVZSAOGGTF-UHFFFAOYSA-N 0 0 311.429 3.727 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)n1 ZINC000126815437 337417938 /nfs/dbraw/zinc/41/79/38/337417938.db2.gz URPXJLIIMROSNW-HOCLYGCPSA-N 0 0 314.454 3.961 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)[C@H]1CCCc2sccc21 ZINC000262329958 337432284 /nfs/dbraw/zinc/43/22/84/337432284.db2.gz SKDPIBLIBIIGJE-ZDUSSCGKSA-N 0 0 312.438 3.730 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000130440657 337433214 /nfs/dbraw/zinc/43/32/14/337433214.db2.gz QSRGABCUZRLZPW-HUUCEWRRSA-N 0 0 311.381 3.728 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1cccc(Oc2ccccc2)c1 ZINC000130442085 337433220 /nfs/dbraw/zinc/43/32/20/337433220.db2.gz WYENAXVFHMXRPV-HUUCEWRRSA-N 0 0 311.381 3.728 10 0 DHAERN Cc1cc(C)c([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142573 337436444 /nfs/dbraw/zinc/43/64/44/337436444.db2.gz UJRDPLIZJCWELC-HOTGVXAUSA-N 0 0 312.461 3.951 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)O1 ZINC000131627756 337438460 /nfs/dbraw/zinc/43/84/60/337438460.db2.gz YTVNEOQUWOGJIX-NHYWBVRUSA-N 0 0 316.332 3.519 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)CC(C)(C)C ZINC000062576118 337460184 /nfs/dbraw/zinc/46/01/84/337460184.db2.gz KJJUUNFXHOFSNP-UHFFFAOYSA-N 0 0 300.402 3.745 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1 ZINC000062576074 337460189 /nfs/dbraw/zinc/46/01/89/337460189.db2.gz QUZVETHVGIORJX-UHFFFAOYSA-N 0 0 306.365 3.623 10 0 DHAERN CC(C)(C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1F ZINC000194787242 337463611 /nfs/dbraw/zinc/46/36/11/337463611.db2.gz PRRXJJIBXVAAPM-INIZCTEOSA-N 0 0 313.372 3.743 10 0 DHAERN O=C(/C=C/c1nc2ccccc2s1)N[C@@H]1COc2ccccc21 ZINC000194884793 337463919 /nfs/dbraw/zinc/46/39/19/337463919.db2.gz SZUKVXSYTGGZRI-ATWMFIQVSA-N 0 0 322.389 3.559 10 0 DHAERN Fc1ccc2c(c1)CCC[C@@H]2N[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000195086568 337464893 /nfs/dbraw/zinc/46/48/93/337464893.db2.gz XXDSBXJHMNKKJK-ZWKOTPCHSA-N 0 0 322.387 3.700 10 0 DHAERN Cc1csc([C@H]2CN([C@@H](C)c3c(F)cccc3F)CCO2)n1 ZINC000195394892 337466468 /nfs/dbraw/zinc/46/64/68/337466468.db2.gz VSGLGWNMWNYKKP-SMDDNHRTSA-N 0 0 324.396 3.864 10 0 DHAERN CCOc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000195438787 337466993 /nfs/dbraw/zinc/46/69/93/337466993.db2.gz BEDBWLSXKAUAOR-INIZCTEOSA-N 0 0 315.417 3.929 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC1 ZINC000245508514 337473229 /nfs/dbraw/zinc/47/32/29/337473229.db2.gz JGMDMTOLHPBRGX-BFYDXBDKSA-N 0 0 303.450 3.926 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1Cl ZINC000245974479 337500767 /nfs/dbraw/zinc/50/07/67/337500767.db2.gz GAOVYNJZXJFFQQ-KKFJDGPESA-N 0 0 302.201 3.738 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)O1 ZINC000246010245 337501214 /nfs/dbraw/zinc/50/12/14/337501214.db2.gz KZEHKYZPLUEZJG-UIAACRFSSA-N 0 0 321.420 3.880 10 0 DHAERN C[C@H](CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(F)cc1F ZINC000246201302 337520500 /nfs/dbraw/zinc/52/05/00/337520500.db2.gz PVYPXFBXQUTRSG-JLZZUVOBSA-N 0 0 323.383 3.628 10 0 DHAERN Cc1csc(C2CCN(C(=O)C3C(C)(C)C3(C)C)CC2)n1 ZINC000073282410 337549635 /nfs/dbraw/zinc/54/96/35/337549635.db2.gz JIJKMOYZHZKZEU-UHFFFAOYSA-N 0 0 306.475 3.840 10 0 DHAERN CCC1CCC(NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)CC1 ZINC000074483959 337552130 /nfs/dbraw/zinc/55/21/30/337552130.db2.gz SYRSIYVIMZDYER-UHFFFAOYSA-N 0 0 316.323 3.505 10 0 DHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@H]1c1nccs1 ZINC000074909408 337552783 /nfs/dbraw/zinc/55/27/83/337552783.db2.gz JFBNEUKUDIZVCH-ZDUSSCGKSA-N 0 0 306.818 3.703 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000246546732 337553504 /nfs/dbraw/zinc/55/35/04/337553504.db2.gz KUUDUGDPCOKVGY-IIDMSEBBSA-N 0 0 316.445 3.693 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCO[C@H](C)C2)cc1 ZINC000246880586 337555894 /nfs/dbraw/zinc/55/58/94/337555894.db2.gz KHZQJXHLCITVMO-JLSDUUJJSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H](NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1cccs1 ZINC000247314111 337559164 /nfs/dbraw/zinc/55/91/64/337559164.db2.gz VQMZVQGODVFSAR-RMIITELYSA-N 0 0 312.438 3.694 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000248975119 337569096 /nfs/dbraw/zinc/56/90/96/337569096.db2.gz QNYVMUHVKQJWHK-RDBSUJKOSA-N 0 0 305.443 3.719 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCO[C@H]2C)o1 ZINC000249648749 337570953 /nfs/dbraw/zinc/57/09/53/337570953.db2.gz TVDONIMDFLTRRS-OEAJRASXSA-N 0 0 305.418 3.703 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccccc3F)C2)cc1 ZINC000078187390 337592187 /nfs/dbraw/zinc/59/21/87/337592187.db2.gz QZALHDHBTWURNQ-HIFRSBDPSA-N 0 0 313.372 3.853 10 0 DHAERN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCCc3c(N)cccc32)c1 ZINC000261872715 337611985 /nfs/dbraw/zinc/61/19/85/337611985.db2.gz PGSXNZKJOZZLQI-HNNXBMFYSA-N 0 0 323.440 3.665 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000079412688 337621637 /nfs/dbraw/zinc/62/16/37/337621637.db2.gz ZETLKHIHABDIET-JKSUJKDBSA-N 0 0 307.459 3.549 10 0 DHAERN CC(C)C[C@H](C[NH2+]CCCCCOc1ccccc1)C(=O)[O-] ZINC000263079107 337624134 /nfs/dbraw/zinc/62/41/34/337624134.db2.gz RFZDZGVOKAEZJZ-MRXNPFEDSA-N 0 0 307.434 3.572 10 0 DHAERN O=C([O-])C1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000263408591 337628114 /nfs/dbraw/zinc/62/81/14/337628114.db2.gz KQJALAAADKMZPR-MHVXSEJMSA-N 0 0 305.393 3.695 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000263412924 337628322 /nfs/dbraw/zinc/62/83/22/337628322.db2.gz MAMVEPSQRYNXEF-DQPZFDDXSA-N 0 0 301.430 3.933 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 ZINC000263424308 337628713 /nfs/dbraw/zinc/62/87/13/337628713.db2.gz PYCRDKKMNAAZMF-UONOGXRCSA-N 0 0 315.335 3.843 10 0 DHAERN C[C@@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCOCC1 ZINC000162775662 337665460 /nfs/dbraw/zinc/66/54/60/337665460.db2.gz FXDAWCXRSJNRGJ-OLZOCXBDSA-N 0 0 309.837 3.922 10 0 DHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@@H](c2ccccc2)CC1 ZINC000080637038 337680598 /nfs/dbraw/zinc/68/05/98/337680598.db2.gz GBNQQMBYTHBWTG-QZTJIDSGSA-N 0 0 323.440 3.557 10 0 DHAERN O=C1N[C@@H](c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000036756468 337751313 /nfs/dbraw/zinc/75/13/13/337751313.db2.gz GNTHGYRRVFCAMQ-ZDUSSCGKSA-N 0 0 321.163 3.791 10 0 DHAERN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000045124628 337819190 /nfs/dbraw/zinc/81/91/90/337819190.db2.gz SRIJDMCKKPYVIE-MJGOQNOKSA-N 0 0 322.408 3.961 10 0 DHAERN Cc1ccc(CC(=O)N[C@H]2CC[C@H](C)c3ccccc32)cc1O ZINC000089458684 337869820 /nfs/dbraw/zinc/86/98/20/337869820.db2.gz UGUJDKMDBPTDHS-UGSOOPFHSA-N 0 0 309.409 3.998 10 0 DHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1cccc2ncccc21 ZINC000089844960 337874564 /nfs/dbraw/zinc/87/45/64/337874564.db2.gz PSTJCMWEWUBAPT-YJYMSZOUSA-N 0 0 318.376 3.762 10 0 DHAERN O=C(Nc1ccc(Cl)c(F)c1)N[C@H]1COc2ccccc21 ZINC000058625554 337877563 /nfs/dbraw/zinc/87/75/63/337877563.db2.gz IWHOWFGQFOPIRN-ZDUSSCGKSA-N 0 0 306.724 3.734 10 0 DHAERN COCCCCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000120755710 337878830 /nfs/dbraw/zinc/87/88/30/337878830.db2.gz VHJFJIZRPWQPDH-SNVBAGLBSA-N 0 0 304.217 3.987 10 0 DHAERN Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202767 337879160 /nfs/dbraw/zinc/87/91/60/337879160.db2.gz ONUHLZVXIQOKCX-MRXNPFEDSA-N 0 0 313.788 3.911 10 0 DHAERN Cc1ccc([C@@H]2CN(Cc3cc(F)c(F)cc3F)CCO2)o1 ZINC000093865101 337922331 /nfs/dbraw/zinc/92/23/31/337922331.db2.gz LWTAVLLRMLIMHE-INIZCTEOSA-N 0 0 311.303 3.579 10 0 DHAERN CCCc1sc(C(=O)NC[C@H]2CCCC[C@H]2O)cc1CC ZINC000085981424 338012853 /nfs/dbraw/zinc/01/28/53/338012853.db2.gz YGLLHTHSROFYIW-ZIAGYGMSSA-N 0 0 309.475 3.544 10 0 DHAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C(C)C)cc1 ZINC000086339348 338015280 /nfs/dbraw/zinc/01/52/80/338015280.db2.gz GTYSAQLYHIRNBV-ZIAGYGMSSA-N 0 0 314.433 3.585 10 0 DHAERN CO[C@@H](C)C(=O)Nc1cccc(N[C@H](C)c2cccc(O)c2)c1 ZINC000194946289 338784440 /nfs/dbraw/zinc/78/44/40/338784440.db2.gz MYFOEGLOEDVBSU-OLZOCXBDSA-N 0 0 314.385 3.539 10 0 DHAERN CC(C)n1ccc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000300791564 340240951 /nfs/dbraw/zinc/24/09/51/340240951.db2.gz CASSFFQTXPNMQJ-CQSZACIVSA-N 0 0 322.453 3.523 10 0 DHAERN CC(C)(C)[C@@H](O)COc1ccc(Cl)cc1Br ZINC000302832649 340283361 /nfs/dbraw/zinc/28/33/61/340283361.db2.gz JWLMHGPLFHOBAV-NSHDSACASA-N 0 0 307.615 3.888 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000172914165 340348150 /nfs/dbraw/zinc/34/81/50/340348150.db2.gz HNYPLZHCOCHMDO-DYVFJYSZSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](C)c1ccccc1F ZINC000172961833 340350237 /nfs/dbraw/zinc/35/02/37/340350237.db2.gz TVGNOLWFHQXVCX-HUUCEWRRSA-N 0 0 315.388 3.651 10 0 DHAERN CC[C@H](C(=O)N[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000172967110 340350400 /nfs/dbraw/zinc/35/04/00/340350400.db2.gz ZVZDYDFJJRZZMJ-LPHOPBHVSA-N 0 0 311.425 3.902 10 0 DHAERN CC[C@]1(C)CCCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000173372579 340363535 /nfs/dbraw/zinc/36/35/35/340363535.db2.gz IMJDMKBTDIQNML-CRAIPNDOSA-N 0 0 302.418 3.732 10 0 DHAERN CO[C@]1(C)C[C@H](N(C)C(=O)N[C@@H](C)c2cccs2)C1(C)C ZINC000173423085 340364814 /nfs/dbraw/zinc/36/48/14/340364814.db2.gz WVLFHUYYOKGWBU-DETPVDSQSA-N 0 0 310.463 3.654 10 0 DHAERN CCc1nc(C2(NCCSc3ccccc3)CCCC2)no1 ZINC000174237765 340384532 /nfs/dbraw/zinc/38/45/32/340384532.db2.gz QPGJAEWBARHSHX-UHFFFAOYSA-N 0 0 317.458 3.783 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(F)cc1F ZINC000174334976 340386269 /nfs/dbraw/zinc/38/62/69/340386269.db2.gz BPGZJCFTKKSPGJ-LBPRGKRZSA-N 0 0 320.339 3.692 10 0 DHAERN CCCCOCCNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000174400054 340387485 /nfs/dbraw/zinc/38/74/85/340387485.db2.gz KIAQMEBTFXEWBU-OAHLLOKOSA-N 0 0 308.422 3.641 10 0 DHAERN CC(C)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000174486379 340389785 /nfs/dbraw/zinc/38/97/85/340389785.db2.gz JPRTVCWOMFJKSJ-CABCVRRESA-N 0 0 307.384 3.963 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]1C)c1ccccc1Br ZINC000174555344 340391452 /nfs/dbraw/zinc/39/14/52/340391452.db2.gz KZTAWQDAKMQKJJ-QWRGUYRKSA-N 0 0 311.223 3.704 10 0 DHAERN CCc1cnc(CNC(=O)N[C@@H](C)c2ccc(CC)cc2)s1 ZINC000174551265 340391462 /nfs/dbraw/zinc/39/14/62/340391462.db2.gz UZDGUAOOXRFMRR-LBPRGKRZSA-N 0 0 317.458 3.828 10 0 DHAERN CCc1nccn1[C@H]1CCCN(c2ncnc3c(C)cccc32)C1 ZINC000177930900 340445629 /nfs/dbraw/zinc/44/56/29/340445629.db2.gz GJRFWFZIWZGERT-HNNXBMFYSA-N 0 0 321.428 3.539 10 0 DHAERN CCc1cc(C(=O)N2CCC[C@H](C(F)(F)F)C2)oc1CC ZINC000178370490 340448955 /nfs/dbraw/zinc/44/89/55/340448955.db2.gz MWMHNUCMRMHYTB-NSHDSACASA-N 0 0 303.324 3.819 10 0 DHAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cc1 ZINC000178938828 340452557 /nfs/dbraw/zinc/45/25/57/340452557.db2.gz VJJJDZVAGVKKOK-RDTXWAMCSA-N 0 0 322.408 3.688 10 0 DHAERN COCc1cccc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000186176027 340509060 /nfs/dbraw/zinc/50/90/60/340509060.db2.gz BXPIQDMFJAOKHI-ZDUSSCGKSA-N 0 0 317.816 3.906 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000190013421 340541990 /nfs/dbraw/zinc/54/19/90/340541990.db2.gz LQUMLRNVLJPSDC-KSSFIOAISA-N 0 0 309.409 3.998 10 0 DHAERN COc1cccc(Cl)c1CNC(=O)N[C@H](C)c1cccs1 ZINC000190480983 340545459 /nfs/dbraw/zinc/54/54/59/340545459.db2.gz WMEDXDLBPBGTMU-SNVBAGLBSA-N 0 0 324.833 3.971 10 0 DHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)CC2 ZINC000190538783 340545814 /nfs/dbraw/zinc/54/58/14/340545814.db2.gz AWIIAHCBXUZKBH-RPVQJOFSSA-N 0 0 301.430 3.729 10 0 DHAERN CCc1c(NC(=O)N[C@H]2C[C@H]2C)cnn1-c1cccc(Cl)c1 ZINC000191616153 340556605 /nfs/dbraw/zinc/55/66/05/340556605.db2.gz JKCVEPRNGPFWEW-MFKMUULPSA-N 0 0 318.808 3.618 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)c(Cl)c1 ZINC000192367735 340566500 /nfs/dbraw/zinc/56/65/00/340566500.db2.gz OIGWABPSGBUQSB-AWEZNQCLSA-N 0 0 317.816 3.984 10 0 DHAERN C[C@H]1COCC[C@H]1Nc1cc2c(cc1Br)CCC2 ZINC000192899353 340570633 /nfs/dbraw/zinc/57/06/33/340570633.db2.gz VEHJLHDQZLNGQI-IINYFYTJSA-N 0 0 310.235 3.775 10 0 DHAERN O=C(CCc1ccc(Cl)cc1)N[C@@H]1COc2ccccc21 ZINC000194867523 340596748 /nfs/dbraw/zinc/59/67/48/340596748.db2.gz ZZXGIOGJSONMDI-OAHLLOKOSA-N 0 0 301.773 3.523 10 0 DHAERN CCS[C@H]1CC[C@H](Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000228022914 340605850 /nfs/dbraw/zinc/60/58/50/340605850.db2.gz SZOFTNDQCOGIRL-KBPBESRZSA-N 0 0 313.488 3.566 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccc(F)c(Cl)c1)C2 ZINC000123299448 340704856 /nfs/dbraw/zinc/70/48/56/340704856.db2.gz DWCCQHFBLLDLTD-UHFFFAOYSA-N 0 0 321.827 3.894 10 0 DHAERN CC(C)(CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000041109391 340709480 /nfs/dbraw/zinc/70/94/80/340709480.db2.gz CSRPBPUMYWQDCY-IAGOWNOFSA-N 0 0 301.430 3.524 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000124628295 340800054 /nfs/dbraw/zinc/80/00/54/340800054.db2.gz WLZOYCQHIHNWBZ-SCTDSRPQSA-N 0 0 301.430 3.599 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2)C12CCCC2 ZINC000124698626 340800540 /nfs/dbraw/zinc/80/05/40/340800540.db2.gz BDKBVNHAUONJPI-CVEARBPZSA-N 0 0 302.418 3.888 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000125146075 340802635 /nfs/dbraw/zinc/80/26/35/340802635.db2.gz MAQUZFJNIGEPGU-OTYXRUKQSA-N 0 0 304.187 3.741 10 0 DHAERN CC[C@@H](CC(=O)N1CCS[C@@H](C)C1)c1ccc(OC)cc1 ZINC000125351190 340803678 /nfs/dbraw/zinc/80/36/78/340803678.db2.gz VQDZNPULNCCFEJ-KBPBESRZSA-N 0 0 307.459 3.543 10 0 DHAERN CN(C[C@@H]1CCCO1)C(=O)N[C@H]1c2ccccc2CCC1(C)C ZINC000127297944 340848620 /nfs/dbraw/zinc/84/86/20/340848620.db2.gz STSOKNWWSZLCGX-RDJZCZTQSA-N 0 0 316.445 3.521 10 0 DHAERN CN(Cc1cccc(F)c1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000127312732 340848969 /nfs/dbraw/zinc/84/89/69/340848969.db2.gz LQILIEHTUSBATG-UHFFFAOYSA-N 0 0 316.420 3.792 10 0 DHAERN COc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128597645 340899554 /nfs/dbraw/zinc/89/95/54/340899554.db2.gz TXIJKXJFTHJCKJ-HNNXBMFYSA-N 0 0 323.314 3.599 10 0 DHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccc(F)cc1 ZINC000128948300 340931020 /nfs/dbraw/zinc/93/10/20/340931020.db2.gz GMGGZTVYGHCJDU-CQSZACIVSA-N 0 0 311.278 3.729 10 0 DHAERN CC[C@H](COC)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000129095775 340944984 /nfs/dbraw/zinc/94/49/84/340944984.db2.gz XRZFDWMPXUWDGQ-CXAGYDPISA-N 0 0 300.402 3.625 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000542212683 341000557 /nfs/dbraw/zinc/00/05/57/341000557.db2.gz JCGHTDQNBBVENM-GWCFXTLKSA-N 0 0 308.219 3.774 10 0 DHAERN O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CCCC[C@H]1O ZINC000130370360 341020011 /nfs/dbraw/zinc/02/00/11/341020011.db2.gz OMIVBSLAYBLMPW-VQTJNVASSA-N 0 0 323.436 3.628 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](c2ccccc2)N(C)C)cc1F ZINC000131008293 341056257 /nfs/dbraw/zinc/05/62/57/341056257.db2.gz WGWLFBWFXWLKCP-KBXCAEBGSA-N 0 0 314.404 3.614 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(C)c1Br ZINC000131172742 341063716 /nfs/dbraw/zinc/06/37/16/341063716.db2.gz VPHPAUMLFRZGAC-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)NCCc2cscn2)c2ccccc21 ZINC000131531531 341094447 /nfs/dbraw/zinc/09/44/47/341094447.db2.gz KFWMJXFLDQQXBO-WBMJQRKESA-N 0 0 315.442 3.623 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccccc1O ZINC000131695286 341108903 /nfs/dbraw/zinc/10/89/03/341108903.db2.gz QDFFIHPBEALYIK-GFCCVEGCSA-N 0 0 319.788 3.644 10 0 DHAERN CCOCCC1(CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000132538491 341126536 /nfs/dbraw/zinc/12/65/36/341126536.db2.gz BFZPTYDPVMLXOC-IAGOWNOFSA-N 0 0 307.478 3.916 10 0 DHAERN Cc1cccc(Cl)c1NC(=O)N[C@@H]1COc2ccccc21 ZINC000132752210 341144736 /nfs/dbraw/zinc/14/47/36/341144736.db2.gz FFCDKCHTSOREST-CYBMUJFWSA-N 0 0 302.761 3.904 10 0 DHAERN CCC1CCC(NC(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000074385618 341145052 /nfs/dbraw/zinc/14/50/52/341145052.db2.gz AOAQGUZNPKLRFF-UHFFFAOYSA-N 0 0 314.429 3.734 10 0 DHAERN CCc1cnc(CCNC(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000075810715 341183398 /nfs/dbraw/zinc/18/33/98/341183398.db2.gz OKPQWNWCGGENRX-ZDUSSCGKSA-N 0 0 317.458 3.617 10 0 DHAERN CC(C)NC(=O)CCN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000133841917 341193265 /nfs/dbraw/zinc/19/32/65/341193265.db2.gz LBANXYDHJHNLHT-SECBINFHSA-N 0 0 321.223 3.698 10 0 DHAERN CC(C)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000076471256 341207897 /nfs/dbraw/zinc/20/78/97/341207897.db2.gz AHOTWFXEAVXYBK-GJZGRUSLSA-N 0 0 314.433 3.525 10 0 DHAERN CC(C)[C@@H](C)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000076471258 341207916 /nfs/dbraw/zinc/20/79/16/341207916.db2.gz AHOTWFXEAVXYBK-LSDHHAIUSA-N 0 0 314.433 3.525 10 0 DHAERN COCc1cccc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000078352529 341240961 /nfs/dbraw/zinc/24/09/61/341240961.db2.gz QSILSKPFLBLOEX-LSDHHAIUSA-N 0 0 312.413 3.511 10 0 DHAERN CCc1cnc([C@@H](C)Nc2ccc(C(F)(F)F)nn2)s1 ZINC000135605593 341242754 /nfs/dbraw/zinc/24/27/54/341242754.db2.gz MJDAVWOCHAGHDK-SSDOTTSWSA-N 0 0 302.325 3.687 10 0 DHAERN C[C@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC[NH2+]1 ZINC000136134551 341253441 /nfs/dbraw/zinc/25/34/41/341253441.db2.gz NLXDXMJLRWKSEF-CYBMUJFWSA-N 0 0 320.742 3.830 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000136712959 341265784 /nfs/dbraw/zinc/26/57/84/341265784.db2.gz WNTPNCNATTVSOG-IFXJQAMLSA-N 0 0 309.409 3.740 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000136879486 341268587 /nfs/dbraw/zinc/26/85/87/341268587.db2.gz UYMZTLKWLVFVPS-FZMZJTMJSA-N 0 0 312.866 3.938 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245565643 341302197 /nfs/dbraw/zinc/30/21/97/341302197.db2.gz DTQONLUOBFHTJN-AQQQZIQISA-N 0 0 315.457 3.986 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H]2CCC[C@H]2O)cc1 ZINC000245757139 341313574 /nfs/dbraw/zinc/31/35/74/341313574.db2.gz YUIOMBVHOJSFFT-YDZRNGNQSA-N 0 0 315.457 3.533 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 ZINC000245784705 341314691 /nfs/dbraw/zinc/31/46/91/341314691.db2.gz ZLVQSTCYCYNSOZ-GMTAPVOTSA-N 0 0 301.839 3.784 10 0 DHAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc32)C[C@@H](C)O1 ZINC000245935295 341318871 /nfs/dbraw/zinc/31/88/71/341318871.db2.gz SBUMMJSDAGYICW-TUFGIGEDSA-N 0 0 309.409 3.579 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2)O1 ZINC000246088329 341325131 /nfs/dbraw/zinc/32/51/31/341325131.db2.gz UWFPLCOGKUBYDK-LZQZEXGQSA-N 0 0 309.409 3.654 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000246282501 341339912 /nfs/dbraw/zinc/33/99/12/341339912.db2.gz NRBWHGFIHZEMBP-LDXOSZSPSA-N 0 0 309.837 3.560 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC1)c1cccc(Br)c1 ZINC000246581990 341353936 /nfs/dbraw/zinc/35/39/36/341353936.db2.gz UGKPWJPVUQBCPJ-QCZZGDTMSA-N 0 0 308.219 3.672 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000246746301 341356704 /nfs/dbraw/zinc/35/67/04/341356704.db2.gz JIYJOYQZLRVEQT-LSCFUAHRSA-N 0 0 305.368 3.859 10 0 DHAERN Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]2C2CCCCC2)o1 ZINC000246921728 341358717 /nfs/dbraw/zinc/35/87/17/341358717.db2.gz MVZCQKKPCVUXFD-ULQDDVLXSA-N 0 0 317.429 3.704 10 0 DHAERN C[C@H]1C[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@@H](C)C1 ZINC000246980953 341359473 /nfs/dbraw/zinc/35/94/73/341359473.db2.gz QXYMAISAODKWLP-QNWHQSFQSA-N 0 0 306.372 3.795 10 0 DHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000247682813 341368909 /nfs/dbraw/zinc/36/89/09/341368909.db2.gz RWIFVIOPRQTPDP-CGTJXYLNSA-N 0 0 318.461 3.607 10 0 DHAERN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000248071349 341373033 /nfs/dbraw/zinc/37/30/33/341373033.db2.gz QJDNGBGKBRENEP-RULNRJAQSA-N 0 0 316.228 3.608 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000248198021 341374659 /nfs/dbraw/zinc/37/46/59/341374659.db2.gz XSFGINBKRADIQF-USJZOSNVSA-N 0 0 301.430 3.549 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000248551558 341379791 /nfs/dbraw/zinc/37/97/91/341379791.db2.gz KPWJPWKORZDXJW-CEXWTWQISA-N 0 0 315.457 3.989 10 0 DHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248617584 341381687 /nfs/dbraw/zinc/38/16/87/341381687.db2.gz BBAJIFDCOKUJOM-MCIONIFRSA-N 0 0 321.383 3.773 10 0 DHAERN C[C@@H]1CSCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000248784838 341386898 /nfs/dbraw/zinc/38/68/98/341386898.db2.gz MLUKPNADVFPQIU-QJPTWQEYSA-N 0 0 324.412 3.502 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000248830929 341387989 /nfs/dbraw/zinc/38/79/89/341387989.db2.gz IFSXLPNHVINSKU-PWIZWCRZSA-N 0 0 323.436 3.902 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CCCO[C@H]2C)c1 ZINC000249298194 341396218 /nfs/dbraw/zinc/39/62/18/341396218.db2.gz CGYKSYRLXPKIGH-BQFCYCMXSA-N 0 0 301.430 3.782 10 0 DHAERN COCCCCCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000154811425 341596385 /nfs/dbraw/zinc/59/63/85/341596385.db2.gz NRCMFWNNKVSJQU-PBHICJAKSA-N 0 0 304.434 3.741 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)NCc2cscn2)c2ccccc21 ZINC000154871994 341597259 /nfs/dbraw/zinc/59/72/59/341597259.db2.gz LJVNNMGQAVYIEX-ABAIWWIYSA-N 0 0 301.415 3.581 10 0 DHAERN CC[C@H](C)CN(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155231305 341604593 /nfs/dbraw/zinc/60/45/93/341604593.db2.gz SEIKFCWEYSNBFN-GXTWGEPZSA-N 0 0 316.367 3.848 10 0 DHAERN C[C@@H]1CCCCN1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155349471 341606520 /nfs/dbraw/zinc/60/65/20/341606520.db2.gz HIHLDTMEMGLZAF-OCCSQVGLSA-N 0 0 314.351 3.744 10 0 DHAERN CC[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000155659198 341610901 /nfs/dbraw/zinc/61/09/01/341610901.db2.gz MVMWWQDSMCWBIW-TZMCWYRMSA-N 0 0 314.351 3.602 10 0 DHAERN Cc1ccc(CCNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)cn1 ZINC000156110103 341617137 /nfs/dbraw/zinc/61/71/37/341617137.db2.gz MROOVUADXMWIKD-AUUYWEPGSA-N 0 0 323.440 3.870 10 0 DHAERN Cc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@@H]2C2CCCCC2)o1 ZINC000156358694 341620287 /nfs/dbraw/zinc/62/02/87/341620287.db2.gz MVZCQKKPCVUXFD-ZACQAIPSSA-N 0 0 317.429 3.704 10 0 DHAERN CCc1ncsc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000157802872 341645677 /nfs/dbraw/zinc/64/56/77/341645677.db2.gz ZFILVLDGZWCFTK-AWEZNQCLSA-N 0 0 304.390 3.652 10 0 DHAERN CCOCCC1(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCC1 ZINC000157846151 341646539 /nfs/dbraw/zinc/64/65/39/341646539.db2.gz OWOXSFTZVIJHMA-KRWDZBQOSA-N 0 0 319.420 3.916 10 0 DHAERN Cc1cccc(C)c1NC(=S)NC(=O)C=Cc1cccs1 ZINC000013988695 518190298 /nfs/dbraw/zinc/19/02/98/518190298.db2.gz JNDGLASSGPGUGT-CMDGGOBGSA-N 0 0 316.451 3.891 10 0 DHAERN Brc1cncc(N[C@H]2CCOc3ccccc32)c1 ZINC000134777079 518232697 /nfs/dbraw/zinc/23/26/97/518232697.db2.gz NSYLAPLZTGZFDV-ZDUSSCGKSA-N 0 0 305.175 3.780 10 0 DHAERN CC(C)Cc1noc(CN[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180731133 519477036 /nfs/dbraw/zinc/47/70/36/519477036.db2.gz NYZWXYRWUXFJOU-JTQLQIEISA-N 0 0 311.788 3.911 10 0 DHAERN CC(C)Cn1ncnc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000183102821 519545348 /nfs/dbraw/zinc/54/53/48/519545348.db2.gz ANLLUGFLGNCAAV-NSHDSACASA-N 0 0 310.804 3.577 10 0 DHAERN CC(=O)Nc1sc(Br)nc1-c1cccs1 ZINC000032500039 519754106 /nfs/dbraw/zinc/75/41/06/519754106.db2.gz ZMFCLFBNFBGIJU-UHFFFAOYSA-N 0 0 303.206 3.593 10 0 DHAERN CC(C)Oc1c(Cl)cccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191906547 519777699 /nfs/dbraw/zinc/77/76/99/519777699.db2.gz MUCHHHCLSVZDBU-NWDGAFQWSA-N 0 0 311.809 3.881 10 0 DHAERN CC(C)[C@H](SC1CCOCC1)C(=O)N[C@H](C)c1ccccc1 ZINC000131396754 519823946 /nfs/dbraw/zinc/82/39/46/519823946.db2.gz LPGAZNYBSUNVJG-PBHICJAKSA-N 0 0 321.486 3.801 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2nccs2)cc1 ZINC000130618150 519840445 /nfs/dbraw/zinc/84/04/45/519840445.db2.gz GNSRTETXCOVLMV-HZPDHXFCSA-N 0 0 314.454 3.729 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccsc2)no1 ZINC000157534173 519866935 /nfs/dbraw/zinc/86/69/35/519866935.db2.gz UZCOSFONWZVGTH-NSHDSACASA-N 0 0 306.391 3.624 10 0 DHAERN CC(C)c1nnc(CNc2cc(Cl)c(F)c(Cl)c2)n1C ZINC000191701975 519887694 /nfs/dbraw/zinc/88/76/94/519887694.db2.gz LOBTULOFHWEOGU-UHFFFAOYSA-N 0 0 317.195 3.997 10 0 DHAERN CC(C)c1nnc(CSCCCOc2ccc(F)cc2)n1C ZINC000182347161 519888960 /nfs/dbraw/zinc/88/89/60/519888960.db2.gz AMPAUDUMDWVYDK-UHFFFAOYSA-N 0 0 323.437 3.780 10 0 DHAERN CCN(C)C(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182620898 520217624 /nfs/dbraw/zinc/21/76/24/520217624.db2.gz TYDBZFBGUFMFMM-JSGCOSHPSA-N 0 0 316.228 3.939 10 0 DHAERN CCCCC[C@@H](C)NC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000155033294 520280956 /nfs/dbraw/zinc/28/09/56/520280956.db2.gz XYMBLRUYGFNLNG-OAHLLOKOSA-N 0 0 320.481 3.761 10 0 DHAERN CC1(C)CCC(=CC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000130271109 520290408 /nfs/dbraw/zinc/29/04/08/520290408.db2.gz CDQQQDZZBQYQFE-CQSZACIVSA-N 0 0 320.458 3.570 10 0 DHAERN CCC[C@@H](NCc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181658936 520785025 /nfs/dbraw/zinc/78/50/25/520785025.db2.gz LSHWNGHXRUZJPS-OAHLLOKOSA-N 0 0 320.387 3.602 10 0 DHAERN CCCCS[C@@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105849808 520960915 /nfs/dbraw/zinc/96/09/15/520960915.db2.gz BYKYCKWLYXUQGB-LSDHHAIUSA-N 0 0 323.506 3.622 10 0 DHAERN CCOc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(C)o2)cc1 ZINC000172880065 521100129 /nfs/dbraw/zinc/10/01/29/521100129.db2.gz RYQVCJWCXFWSIQ-ZIAGYGMSSA-N 0 0 316.401 3.665 10 0 DHAERN CCCCc1noc([C@H](C)SCc2nnc(C(C)C)n2C)n1 ZINC000182354849 521353735 /nfs/dbraw/zinc/35/37/35/521353735.db2.gz MKAVYDRAHMTOIM-NSHDSACASA-N 0 0 323.466 3.659 10 0 DHAERN CCOCCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000102852005 521676324 /nfs/dbraw/zinc/67/63/24/521676324.db2.gz LMDKAABLTQTCDK-QMMMGPOBSA-N 0 0 308.180 3.736 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)Nc3ccncc3)C2)n1 ZINC000113365064 522117754 /nfs/dbraw/zinc/11/77/54/522117754.db2.gz IQFFPGRQNTXXEH-LBPRGKRZSA-N 0 0 316.430 3.512 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000103383504 522179614 /nfs/dbraw/zinc/17/96/14/522179614.db2.gz SGXKYOAJODYGMC-CYBMUJFWSA-N 0 0 314.385 3.712 10 0 DHAERN CCc1nc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750991 522304803 /nfs/dbraw/zinc/30/48/03/522304803.db2.gz UKTPKXLAFXHTLJ-GFCCVEGCSA-N 0 0 320.462 3.592 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1cccc(F)c1 ZINC000188132111 522513858 /nfs/dbraw/zinc/51/38/58/522513858.db2.gz NHKYQMPRHNNPOF-CABCVRRESA-N 0 0 302.397 3.555 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1csc(Cl)c1 ZINC000191337035 522518593 /nfs/dbraw/zinc/51/85/93/522518593.db2.gz IADUQPQFVIAEHE-GXSJLCMTSA-N 0 0 310.854 3.741 10 0 DHAERN CCn1c(C)nnc1CN[C@H](C)c1cc(Cl)ccc1Cl ZINC000189997103 523155454 /nfs/dbraw/zinc/15/54/54/523155454.db2.gz FOZJFPGQUSOZMC-SECBINFHSA-N 0 0 313.232 3.764 10 0 DHAERN CO[C@@H](C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000182990693 523331224 /nfs/dbraw/zinc/33/12/24/523331224.db2.gz MENODQXOMNJARO-MELADBBJSA-N 0 0 315.335 3.611 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3csc(Cl)c3)CC2)cn1 ZINC000189312096 523353358 /nfs/dbraw/zinc/35/33/58/523353358.db2.gz WKOKGGQMQYDTBM-UHFFFAOYSA-N 0 0 323.849 3.638 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3csc(C)c3C)CC2)cn1 ZINC000180209706 523354758 /nfs/dbraw/zinc/35/47/58/523354758.db2.gz IAILGRNHMOTXJY-UHFFFAOYSA-N 0 0 317.458 3.601 10 0 DHAERN CO[C@@H](C)CCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000181748480 523380284 /nfs/dbraw/zinc/38/02/84/523380284.db2.gz MNRCUTUJDGEFJZ-GOEBONIOSA-N 0 0 317.429 3.754 10 0 DHAERN CCn1cc([C@@H]2CN([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744672 523465628 /nfs/dbraw/zinc/46/56/28/523465628.db2.gz YSAPMWDGTYNSAJ-GUYCJALGSA-N 0 0 319.836 3.691 10 0 DHAERN CCn1cc([C@@H]2CN([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768078 523467016 /nfs/dbraw/zinc/46/70/16/523467016.db2.gz SHMKDDCFKHDAEO-GUYCJALGSA-N 0 0 319.836 3.691 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C[C@@H]2CCCCO2)o1 ZINC000153078619 524034485 /nfs/dbraw/zinc/03/44/85/524034485.db2.gz NESSEFXDWLSIKI-HOTGVXAUSA-N 0 0 305.418 3.855 10 0 DHAERN CCc1cccc(CC)c1NC(=O)C1CCC(C(=O)OC)CC1 ZINC000180111358 524067642 /nfs/dbraw/zinc/06/76/42/524067642.db2.gz SJWLQZWGXWQNHB-UHFFFAOYSA-N 0 0 317.429 3.729 10 0 DHAERN CNC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000172836004 524080132 /nfs/dbraw/zinc/08/01/32/524080132.db2.gz ZHNMQAPVYJNXOQ-CVEARBPZSA-N 0 0 315.417 3.593 10 0 DHAERN C[C@@H](CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1F ZINC000113895952 524352800 /nfs/dbraw/zinc/35/28/00/524352800.db2.gz CEQDUMCTFSBLAS-SUMWQHHRSA-N 0 0 315.392 3.796 10 0 DHAERN Cc1ccc(CN(C)C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)o1 ZINC000194021762 524371697 /nfs/dbraw/zinc/37/16/97/524371697.db2.gz LMNICJOEAXNMHU-RYUDHWBXSA-N 0 0 318.339 3.851 10 0 DHAERN Cc1ccc(CNC(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000177023586 524518964 /nfs/dbraw/zinc/51/89/64/524518964.db2.gz LLKCCWPOEDSRHI-HNNXBMFYSA-N 0 0 315.442 3.888 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 ZINC000156054129 524695248 /nfs/dbraw/zinc/69/52/48/524695248.db2.gz PAVPEGSCFWBDDO-PXAZEXFGSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)Nc1cccc(Cl)c1Br ZINC000191733354 524959569 /nfs/dbraw/zinc/95/95/69/524959569.db2.gz QZXIODAWZLBDHK-IMTBSYHQSA-N 0 0 303.587 3.632 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000190383131 525013153 /nfs/dbraw/zinc/01/31/53/525013153.db2.gz ZFMLRZVLQDGEOT-DYVFJYSZSA-N 0 0 321.848 3.861 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000190261610 525014103 /nfs/dbraw/zinc/01/41/03/525014103.db2.gz DOVLREMUJGXGPH-SCZZXKLOSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000191674208 525015071 /nfs/dbraw/zinc/01/50/71/525015071.db2.gz QNYVMUHVKQJWHK-MCIONIFRSA-N 0 0 305.443 3.719 10 0 DHAERN C[C@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000190184255 525034114 /nfs/dbraw/zinc/03/41/14/525034114.db2.gz JURQNTDFWHZXAY-QWRGUYRKSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@@H](NC(=O)N(C)C[C@H](C)c1nccs1)c1cccs1 ZINC000182138086 525149937 /nfs/dbraw/zinc/14/99/37/525149937.db2.gz ZNPDENBEXHXVMQ-WDEREUQCSA-N 0 0 309.460 3.711 10 0 DHAERN C[C@@H](NC(=O)N([C@H](C)C1CC1)C1CC1)c1ccc(F)c(F)c1 ZINC000173251567 525156102 /nfs/dbraw/zinc/15/61/02/525156102.db2.gz GVXFHZPKTDURRV-GHMZBOCLSA-N 0 0 308.372 3.998 10 0 DHAERN C[C@@H](NC(=O)N1CCO[C@@H](c2ccsc2)C1)c1cccs1 ZINC000177454885 525174486 /nfs/dbraw/zinc/17/44/86/525174486.db2.gz DBMHUMCTFILHLS-DGCLKSJQSA-N 0 0 322.455 3.654 10 0 DHAERN C[C@H](NC(=O)c1cnn2c1CCCC2)c1ccc(F)c(Cl)c1 ZINC000126423739 525264282 /nfs/dbraw/zinc/26/42/82/525264282.db2.gz HVMRDFSIADFZRF-JTQLQIEISA-N 0 0 321.783 3.503 10 0 DHAERN Cc1cc(NCc2nnc(C3CC3)n2C)ccc1C(F)(F)F ZINC000172936885 525285225 /nfs/dbraw/zinc/28/52/25/525285225.db2.gz CDDAJHSGZFIRRT-UHFFFAOYSA-N 0 0 310.323 3.632 10 0 DHAERN Cc1ccccc1OCCCSCc1nnc(C(C)C)n1C ZINC000182352534 525294793 /nfs/dbraw/zinc/29/47/93/525294793.db2.gz ZXCCAHOWGNDHQS-UHFFFAOYSA-N 0 0 319.474 3.949 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@]2(C)C(C)C)cc1OC ZINC000186132124 525311258 /nfs/dbraw/zinc/31/12/58/525311258.db2.gz SXIBKESAFDJTAE-XAYKYTGQSA-N 0 0 305.418 3.563 10 0 DHAERN C[C@]12CCCN1C(=O)N(c1ccc(-c3ccccc3)cc1)C2=O ZINC000192412308 525344421 /nfs/dbraw/zinc/34/44/21/525344421.db2.gz JZHPVYQOJPJYKK-LJQANCHMSA-N 0 0 306.365 3.675 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)NCc1nc(C2CC2)cs1 ZINC000157373760 525411185 /nfs/dbraw/zinc/41/11/85/525411185.db2.gz NCUPEXDESWSVOV-LBPRGKRZSA-N 0 0 315.442 3.889 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000188506350 525558053 /nfs/dbraw/zinc/55/80/53/525558053.db2.gz FRZJMCMRVXPRHS-XJKSGUPXSA-N 0 0 319.426 3.685 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190461433 525558945 /nfs/dbraw/zinc/55/89/45/525558945.db2.gz BGFJAKCSRXKCLX-WCBMZHEXSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000189958488 525559998 /nfs/dbraw/zinc/55/99/98/525559998.db2.gz ZLEFHUJYLQKJJE-XJKSGUPXSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1ccc(Cl)c(Cl)c1 ZINC000176687856 525680604 /nfs/dbraw/zinc/68/06/04/525680604.db2.gz SOKIMJKGTBOPGX-RNCFNFMXSA-N 0 0 311.216 3.771 10 0 DHAERN Cc1c(CNc2ccc(NC(=O)OC(C)(C)C)cc2)cnn1C ZINC000157744281 525730943 /nfs/dbraw/zinc/73/09/43/525730943.db2.gz YKHKVSIUSRTHKM-UHFFFAOYSA-N 0 0 316.405 3.688 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(N)nc(Cl)c2)o1 ZINC000173016779 525802432 /nfs/dbraw/zinc/80/24/32/525802432.db2.gz WDSODKTWOCTMFM-LBPRGKRZSA-N 0 0 319.792 3.586 10 0 DHAERN CS[C@H](C)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000162829012 525863954 /nfs/dbraw/zinc/86/39/54/525863954.db2.gz UQYIXBMCRMYFFD-HIFRSBDPSA-N 0 0 307.459 3.507 10 0 DHAERN Cc1c(NCc2nnc(C3CC3)n2C)cccc1C(F)(F)F ZINC000178036762 525872019 /nfs/dbraw/zinc/87/20/19/525872019.db2.gz QPFFOOUCZNLMEQ-UHFFFAOYSA-N 0 0 310.323 3.632 10 0 DHAERN C[C@H](Sc1ccccc1)C(=O)N1CCCc2c(N)cccc21 ZINC000237544339 525990975 /nfs/dbraw/zinc/99/09/75/525990975.db2.gz KMPQRUZJMPFMHS-ZDUSSCGKSA-N 0 0 312.438 3.729 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CC[C@H]2CCCCO2)o1 ZINC000127626092 525991691 /nfs/dbraw/zinc/99/16/91/525991691.db2.gz CWZFPHFJCFYJIZ-HZPDHXFCSA-N 0 0 305.418 3.991 10 0 DHAERN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816086 526055474 /nfs/dbraw/zinc/05/54/74/526055474.db2.gz PHWPXPKXLCSUKF-KBVBSXBZSA-N 0 0 302.201 3.707 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccnc1Cl)[C@@H](C)C2 ZINC000181243432 526209154 /nfs/dbraw/zinc/20/91/54/526209154.db2.gz HFISWLWHTZMELV-XHDPSFHLSA-N 0 0 300.789 3.707 10 0 DHAERN Cc1cnccc1CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000189446810 526231641 /nfs/dbraw/zinc/23/16/41/526231641.db2.gz SIBYSINIXMWDSE-LBPRGKRZSA-N 0 0 303.793 3.604 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(C)c(C)c3)C2)c1 ZINC000111700254 526267528 /nfs/dbraw/zinc/26/75/28/526267528.db2.gz IOBDCIPTBPUSGP-KRWDZBQOSA-N 0 0 312.417 3.677 10 0 DHAERN Fc1ccc(Cl)c(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000189000006 526345886 /nfs/dbraw/zinc/34/58/86/526345886.db2.gz PLSZFXHATPYEEJ-ZDUSSCGKSA-N 0 0 312.797 3.509 10 0 DHAERN Cc1csc(CS[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000127112637 526366049 /nfs/dbraw/zinc/36/60/49/526366049.db2.gz UXRGWTFVSNLOBD-STQMWFEESA-N 0 0 320.483 3.951 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000128457189 526535684 /nfs/dbraw/zinc/53/56/84/526535684.db2.gz QHQCUQSWLSZBTI-STQMWFEESA-N 0 0 315.417 3.591 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000156927506 526536363 /nfs/dbraw/zinc/53/63/63/526536363.db2.gz GHUHBDVAXJQXTR-JECHBYEQSA-N 0 0 304.434 3.555 10 0 DHAERN c1nc([C@H]2CCCCN2CCCSCc2ccccc2)n[nH]1 ZINC000182735444 526603535 /nfs/dbraw/zinc/60/35/35/526603535.db2.gz JZZBGERZNTVFMU-MRXNPFEDSA-N 0 0 316.474 3.655 10 0 DHAERN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@@H]1c1nccs1 ZINC000115364232 526718349 /nfs/dbraw/zinc/71/83/49/526718349.db2.gz YXISDCVFWFLOBB-OAHLLOKOSA-N 0 0 311.410 3.992 10 0 DHAERN O=C(c1ccnc(Br)c1)N1CCC[C@H]2CCCC[C@H]21 ZINC000177277772 526843197 /nfs/dbraw/zinc/84/31/97/526843197.db2.gz NKPNUTYLOFONMM-DGCLKSJQSA-N 0 0 323.234 3.639 10 0 DHAERN Cc1nc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734451 526891187 /nfs/dbraw/zinc/89/11/87/526891187.db2.gz HFTBZVLOYRHVQG-ZDUSSCGKSA-N 0 0 303.406 3.654 10 0 DHAERN O=C(c1occc1Br)N1CCC[C@H]1c1ccco1 ZINC000177383518 526931805 /nfs/dbraw/zinc/93/18/05/526931805.db2.gz UZTBGUSEPBYBFS-JTQLQIEISA-N 0 0 310.147 3.612 10 0 DHAERN Cc1nc(NCCSC(F)(F)F)ccc1Br ZINC000227534588 526996703 /nfs/dbraw/zinc/99/67/03/526996703.db2.gz KRHNSVGFCMPJCP-UHFFFAOYSA-N 0 0 315.158 3.817 10 0 DHAERN O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180597311 527185946 /nfs/dbraw/zinc/18/59/46/527185946.db2.gz WAGKDMVTPVEDGS-CQSZACIVSA-N 0 0 322.771 3.961 10 0 DHAERN O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1CCOc2ccccc21 ZINC000171385110 527275704 /nfs/dbraw/zinc/27/57/04/527275704.db2.gz FPFBRUROVJBXJV-MRXNPFEDSA-N 0 0 324.380 3.657 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)c2cccc(-c3ccoc3)c2)cn1 ZINC000126463737 527317668 /nfs/dbraw/zinc/31/76/68/527317668.db2.gz YNPGMVWWOXUJAB-GOSISDBHSA-N 0 0 321.380 3.657 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)CCc1ccccc1Cl ZINC000237868592 527522208 /nfs/dbraw/zinc/52/22/08/527522208.db2.gz XNRDSZAJEYIYLU-UHFFFAOYSA-N 0 0 314.816 3.834 10 0 DHAERN O=C(C(C1CC1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000132285660 527667215 /nfs/dbraw/zinc/66/72/15/527667215.db2.gz HXJYWZFQNIUIJE-ZWKOTPCHSA-N 0 0 313.441 3.537 10 0 DHAERN Cc1cc(Cl)cc([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055503 563909939 /nfs/dbraw/zinc/90/99/39/563909939.db2.gz UKPLOQXYLGRZMO-CABCVRRESA-N 0 0 324.852 3.966 10 0 DHAERN Cc1nn(C(=O)c2cccc(Cl)c2)c(C)c1Br ZINC000000139889 563222831 /nfs/dbraw/zinc/22/28/31/563222831.db2.gz VBURPPQKUFMFRF-UHFFFAOYSA-N 0 0 313.582 3.604 10 0 DHAERN Clc1nc(NCc2ccco2)nc(Oc2ccccc2)n1 ZINC000000181772 563228578 /nfs/dbraw/zinc/22/85/78/563228578.db2.gz MAWULVWGKKOMAY-UHFFFAOYSA-N 0 0 302.721 3.522 10 0 DHAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2ccccc2)n2cccc2)C1 ZINC000036385558 563354569 /nfs/dbraw/zinc/35/45/69/563354569.db2.gz KDQQJZPFAMXIFG-SCTDSRPQSA-N 0 0 310.441 3.776 10 0 DHAERN COc1cccc(/C=C2\S[C@@H]3Nc4ccccc4N3C2=O)c1 ZINC000009927871 563354749 /nfs/dbraw/zinc/35/47/49/563354749.db2.gz PFRJCPMJWJOHDM-XBNGYDHASA-N 0 0 310.378 3.525 10 0 DHAERN CC(C)n1cc2cc(C(=O)NCCc3ccncc3)sc2c1 ZINC000065285443 563414877 /nfs/dbraw/zinc/41/48/77/563414877.db2.gz ZXZRODWWTQXQMH-UHFFFAOYSA-N 0 0 313.426 3.651 10 0 DHAERN CCCCC(=O)Nc1ccc(C2(C(=O)NCC(C)C)CC2)cc1 ZINC000064526627 563486377 /nfs/dbraw/zinc/48/63/77/563486377.db2.gz ZKIFCPKWQUMJCT-UHFFFAOYSA-N 0 0 316.445 3.619 10 0 DHAERN Cn1cc(C(F)F)c(-c2cc(Br)ccc2F)n1 ZINC000725271074 563576687 /nfs/dbraw/zinc/57/66/87/563576687.db2.gz WMOHXPQSZPPNSF-UHFFFAOYSA-N 0 0 305.097 3.926 10 0 DHAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1ccoc1C ZINC000328631041 563781674 /nfs/dbraw/zinc/78/16/74/563781674.db2.gz QMIWIPNSXNQJDO-GFCCVEGCSA-N 0 0 304.415 3.545 10 0 DHAERN Cc1ccnc(Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 ZINC000013141352 563901494 /nfs/dbraw/zinc/90/14/94/563901494.db2.gz TVPGQZVVSSFGFC-UHFFFAOYSA-N 0 0 311.366 3.986 10 0 DHAERN Cc1[nH]nc(I)c1-c1cccc(Cl)c1 ZINC000675075550 563911071 /nfs/dbraw/zinc/91/10/71/563911071.db2.gz AGHFFKNRBBTVRZ-UHFFFAOYSA-N 0 0 318.545 3.643 10 0 DHAERN FC(F)c1n[nH]c(I)c1-c1ccccc1 ZINC000675076251 563911154 /nfs/dbraw/zinc/91/11/54/563911154.db2.gz MLWDNEMZIOVGLH-UHFFFAOYSA-N 0 0 320.080 3.619 10 0 DHAERN COc1ccc(-c2nc3cnccc3o2)cc1Br ZINC000226281579 563913624 /nfs/dbraw/zinc/91/36/24/563913624.db2.gz YHCJUOOIUQNOKH-UHFFFAOYSA-N 0 0 305.131 3.661 10 0 DHAERN COC(=O)c1cc(C(=O)c2ccc(Cl)cc2)n2ccccc12 ZINC000048522978 563923839 /nfs/dbraw/zinc/92/38/39/563923839.db2.gz XILNDNWIYCSINN-UHFFFAOYSA-N 0 0 313.740 3.610 10 0 DHAERN C[C@@H](C1CC1)[N@H+](Cc1ccccc1)Cc1cccc(C(=O)[O-])n1 ZINC000385247098 971989678 /nfs/dbraw/zinc/98/96/78/971989678.db2.gz JMDGTKQNPCOHCJ-AWEZNQCLSA-N 0 0 310.397 3.581 10 0 DHAERN C[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000722131666 955193663 /nfs/dbraw/zinc/19/36/63/955193663.db2.gz COBLMBAGHLGSSZ-IINYFYTJSA-N 0 0 316.228 3.721 10 0 DHAERN O=C([O-])c1coc(C[NH2+]CCc2ccc(Cl)cc2Cl)c1 ZINC000228154548 959994647 /nfs/dbraw/zinc/99/46/47/959994647.db2.gz OWWKNFOQVURESI-UHFFFAOYSA-N 0 0 314.168 3.617 10 0 DHAERN CCC(C)(C)C[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000232908803 960303559 /nfs/dbraw/zinc/30/35/59/960303559.db2.gz PMXJFABWDDNGDS-UHFFFAOYSA-N 0 0 314.223 3.673 10 0 DHAERN C[C@H]([NH2+]Cc1ccoc1C(=O)[O-])c1ccc(Br)cc1 ZINC000235519847 960450290 /nfs/dbraw/zinc/45/02/90/960450290.db2.gz SNWDAWIUKUGXLQ-VIFPVBQESA-N 0 0 324.174 3.591 10 0 DHAERN O=C([O-])c1cccc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000262953832 962038240 /nfs/dbraw/zinc/03/82/40/962038240.db2.gz BCBPCDOZGKPGAN-IBGZPJMESA-N 0 0 309.409 3.982 10 0 DHAERN O=C([O-])CC[C@@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000263189536 962346177 /nfs/dbraw/zinc/34/61/77/962346177.db2.gz VKNKJVMFZSSTBM-ZDUSSCGKSA-N 0 0 322.474 3.878 10 0 DHAERN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000314655333 963785388 /nfs/dbraw/zinc/78/53/88/963785388.db2.gz NBBFXKFDQNINLU-DTWKUNHWSA-N 0 0 310.806 3.907 10 0 DHAERN Cc1cc([C@@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)c(C)o1 ZINC000067729793 1013782093 /nfs/dbraw/zinc/78/20/93/1013782093.db2.gz DVWIZDIIPDWYTJ-MLGOLLRUSA-N 0 0 314.385 3.780 10 0 DHAERN C[C@@H]([NH2+]C[C@@H]1[C@H](C(=O)[O-])C1(F)F)c1ccc(Cl)cc1Cl ZINC000715273832 977718901 /nfs/dbraw/zinc/71/89/01/977718901.db2.gz URYVTDYXQQRDLA-KNBVPPQFSA-N 0 0 324.154 3.610 10 0 DHAERN O=C([O-])c1occc1C[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000716299675 977828322 /nfs/dbraw/zinc/82/83/22/977828322.db2.gz CEUKPWYNSSZNFQ-UHFFFAOYSA-N 0 0 314.168 3.617 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]CCC2CC=CC2)c(Br)c1 ZINC000724210010 978225146 /nfs/dbraw/zinc/22/51/46/978225146.db2.gz BECLPESPRJYOCL-UHFFFAOYSA-N 0 0 324.218 3.593 10 0 DHAERN CCC1CCC(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)CC1 ZINC000091619491 1014797613 /nfs/dbraw/zinc/79/76/13/1014797613.db2.gz RKIGTVPNNOQVQH-GPANFISMSA-N 0 0 318.465 3.842 10 0 DHAERN Cc1ccc(NCC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000058144325 1019607663 /nfs/dbraw/zinc/60/76/63/1019607663.db2.gz LCHSPRNVPJFQER-OAHLLOKOSA-N 0 0 300.427 3.832 10 0 DHAERN C[C@H](Oc1cccc(C=O)c1)C(=O)N1CCC[C@H]1c1ccccc1 ZINC000068254558 1030536057 /nfs/dbraw/zinc/53/60/57/1030536057.db2.gz HXJNSOSLNYUCGU-KXBFYZLASA-N 0 0 323.392 3.630 10 0 DHAERN C[C@@H](NC(=O)NCC1(CCO)CC1)c1ccc(C(C)(C)C)cc1 ZINC000190347379 334928599 /nfs/dbraw/zinc/92/85/99/334928599.db2.gz MAMZYBIEFMSYFL-CQSZACIVSA-N 0 0 318.461 3.507 10 0 DHAERN CC(C)Oc1ccc(I)c(OC2CC2)c1 ZINC000095712546 185383263 /nfs/dbraw/zinc/38/32/63/185383263.db2.gz TUBNPWJNKLFPPJ-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CC(C)Oc1cc(I)ccc1OC1CC1 ZINC000095726584 185383482 /nfs/dbraw/zinc/38/34/82/185383482.db2.gz QSGNMEXUKWVAAJ-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)sc1Cl ZINC000095829222 185384134 /nfs/dbraw/zinc/38/41/34/185384134.db2.gz WNAZWLOEBAEYIX-UHFFFAOYSA-N 0 0 304.795 3.842 10 0 DHAERN COc1ccc(Br)cc1N[C@H](C)c1cn(C)nc1C ZINC000087409482 185224344 /nfs/dbraw/zinc/22/43/44/185224344.db2.gz CSVXSBFYQYDLRZ-SECBINFHSA-N 0 0 324.222 3.673 10 0 DHAERN O[C@H](c1ccccn1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000087493525 185226776 /nfs/dbraw/zinc/22/67/76/185226776.db2.gz FGPXBYCGGALHQQ-MRXNPFEDSA-N 0 0 303.789 3.517 10 0 DHAERN CCCc1nsc(N[C@H](C)c2ccc(OC)c(OC)c2)n1 ZINC000087640966 185229685 /nfs/dbraw/zinc/22/96/85/185229685.db2.gz BZHFZFCABJZIOA-SNVBAGLBSA-N 0 0 307.419 3.681 10 0 DHAERN CCCn1nc2cc(C(=O)NCCC(C)C)ccc2c1OCC ZINC000090473295 185298328 /nfs/dbraw/zinc/29/83/28/185298328.db2.gz MXQXOFVGDMEGCO-UHFFFAOYSA-N 0 0 317.433 3.621 10 0 DHAERN COc1ccc(Cn2ccc3cc(F)c(Cl)cc3c2=O)cc1 ZINC000090547651 185302213 /nfs/dbraw/zinc/30/22/13/185302213.db2.gz PTKVNYJGJSGOCB-UHFFFAOYSA-N 0 0 317.747 3.851 10 0 DHAERN O=Cc1ccc(C(Nc2ccccn2)Nc2ccccn2)cc1 ZINC000090669090 185308927 /nfs/dbraw/zinc/30/89/27/185308927.db2.gz ICMCHBDLNBJVHR-UHFFFAOYSA-N 0 0 304.353 3.512 10 0 DHAERN CCCOc1cccc(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831760 185344581 /nfs/dbraw/zinc/34/45/81/185344581.db2.gz LGWODCIHMKFQBO-MRXNPFEDSA-N 0 0 318.442 3.505 10 0 DHAERN CCOc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C)on1 ZINC000008908381 190632884 /nfs/dbraw/zinc/63/28/84/190632884.db2.gz ZQCUXEUBWPKBTE-UHFFFAOYSA-N 0 0 315.156 3.941 10 0 DHAERN CCC(C)(C)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000190517375 334942178 /nfs/dbraw/zinc/94/21/78/334942178.db2.gz ICEDDVWEZFAFIY-CQSZACIVSA-N 0 0 314.433 3.669 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000103357261 185447841 /nfs/dbraw/zinc/44/78/41/185447841.db2.gz MODWHTKDRLAGBD-LLVKDONJSA-N 0 0 313.353 3.816 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1cc2ccccc2o1)c1ccccc1 ZINC000103362716 185447988 /nfs/dbraw/zinc/44/79/88/185447988.db2.gz KDQOGVVMDODKAX-IFXJQAMLSA-N 0 0 323.392 3.921 10 0 DHAERN CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCc3cnccc32)cc1 ZINC000225778556 201744285 /nfs/dbraw/zinc/74/42/85/201744285.db2.gz QSXOKFYPZBJKOF-AWEZNQCLSA-N 0 0 322.408 3.613 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCCC4)C2)c1 ZINC000107256009 185473149 /nfs/dbraw/zinc/47/31/49/185473149.db2.gz FXBPOOONXHICIF-LJQANCHMSA-N 0 0 323.440 3.548 10 0 DHAERN Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)cc1 ZINC000226265897 201770298 /nfs/dbraw/zinc/77/02/98/201770298.db2.gz PDAWABHAFNWVQZ-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN O=C(N[C@@H]1CCCc2occc21)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109084741 185550101 /nfs/dbraw/zinc/55/01/01/185550101.db2.gz UPVQUTZJLOMRNY-XJKCOSOUSA-N 0 0 317.335 3.855 10 0 DHAERN CN(Cc1ccccc1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109078705 185549787 /nfs/dbraw/zinc/54/97/87/185549787.db2.gz NIWZMUBHKLTLPZ-CABCVRRESA-N 0 0 301.336 3.727 10 0 DHAERN CCc1ccccc1[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000083434143 192370836 /nfs/dbraw/zinc/37/08/36/192370836.db2.gz JWFNSGPCAUTCPD-RBUKOAKNSA-N 0 0 309.409 3.549 10 0 DHAERN FC(F)(F)c1ccc2[nH]cc(I)c2c1 ZINC000080441387 192157181 /nfs/dbraw/zinc/15/71/81/192157181.db2.gz PIINGUJOTQZZNZ-UHFFFAOYSA-N 0 0 311.044 3.791 10 0 DHAERN CC(C)(C)c1nn(Cc2ccccc2Br)cc1C=O ZINC000071194567 190939851 /nfs/dbraw/zinc/93/98/51/190939851.db2.gz VSUDVOKRHWKNTL-UHFFFAOYSA-N 0 0 321.218 3.804 10 0 DHAERN Brc1ccccc1-n1nccc1-c1ccncc1 ZINC000072190547 191073792 /nfs/dbraw/zinc/07/37/92/191073792.db2.gz HQXXSAJOTWPVDA-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN C[C@@H](c1ccccc1Cl)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000150739925 186062243 /nfs/dbraw/zinc/06/22/43/186062243.db2.gz GVRLUYIYWXKVIK-WQGACYEGSA-N 0 0 307.821 3.960 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)o2)C12CCCC2 ZINC000150807462 186067503 /nfs/dbraw/zinc/06/75/03/186067503.db2.gz GJEPRPYACLXAGG-CHWSQXEVSA-N 0 0 311.809 3.743 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3)[nH]c2=O)cc1 ZINC000072451033 191169987 /nfs/dbraw/zinc/16/99/87/191169987.db2.gz GXYYTOWRSCYYDM-UHFFFAOYSA-N 0 0 318.376 3.911 10 0 DHAERN Cc1ccc(-c2ccnc3nc(Cc4ccccc4)nn32)cc1 ZINC000072451382 191170158 /nfs/dbraw/zinc/17/01/58/191170158.db2.gz KWOQIJSOSCIDRA-UHFFFAOYSA-N 0 0 300.365 3.691 10 0 DHAERN Clc1ccc(-c2ccnc3nc(-c4cccnc4)nn32)cc1 ZINC000072451348 191170666 /nfs/dbraw/zinc/17/06/66/191170666.db2.gz XRERSUPTQJLMIE-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)CSC2 ZINC000000189430 180720214 /nfs/dbraw/zinc/72/02/14/180720214.db2.gz ZWDAOIYDCLPTBQ-UHFFFAOYSA-N 0 0 319.405 3.776 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000072850408 191238372 /nfs/dbraw/zinc/23/83/72/191238372.db2.gz ONORDBUXSZPNPL-RYUDHWBXSA-N 0 0 313.319 3.740 10 0 DHAERN O=C(CCc1ccccc1)NC(=S)Nc1cccc(Cl)c1 ZINC000000503307 180809143 /nfs/dbraw/zinc/80/91/43/180809143.db2.gz XIZHUYDNEVJTFS-UHFFFAOYSA-N 0 0 318.829 3.786 10 0 DHAERN COc1ccc2c(c1)CCCc1cc(OC)c(OC)c(OC)c1-2 ZINC000001597367 180876835 /nfs/dbraw/zinc/87/68/35/180876835.db2.gz VBVBJXCHAOAGCK-UHFFFAOYSA-N 0 0 314.381 3.877 10 0 DHAERN CC(C)(C)c1ccc(CCCC(=O)N2CCOCC2)cc1Cl ZINC000003623759 181042109 /nfs/dbraw/zinc/04/21/09/181042109.db2.gz KJOYLIOWQRXSSX-UHFFFAOYSA-N 0 0 323.864 3.819 10 0 DHAERN CC(C)c1ccc(CCCC(=O)N2CCOCC2)cc1Cl ZINC000003623766 181042264 /nfs/dbraw/zinc/04/22/64/181042264.db2.gz YGSKXAVBYZRRNH-UHFFFAOYSA-N 0 0 309.837 3.645 10 0 DHAERN O=C1c2ccccc2C(=O)N1CCSc1cc2ccccc2[nH]1 ZINC000003611036 181040635 /nfs/dbraw/zinc/04/06/35/181040635.db2.gz AVXGKBALHUJOPC-UHFFFAOYSA-N 0 0 322.389 3.556 10 0 DHAERN COc1ccc(-c2[nH]c3ncnn3c2Nc2ccc(C)cc2)cc1 ZINC000003909876 181057241 /nfs/dbraw/zinc/05/72/41/181057241.db2.gz XLHQEDBZUSDLJL-UHFFFAOYSA-N 0 0 319.368 3.785 10 0 DHAERN Brc1cccc(Nc2ncnc3cnccc32)c1 ZINC000003815247 181047383 /nfs/dbraw/zinc/04/73/83/181047383.db2.gz BWXVBEQVOBGQHC-UHFFFAOYSA-N 0 0 301.147 3.531 10 0 DHAERN Cn1cccc1CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000004733474 181144373 /nfs/dbraw/zinc/14/43/73/181144373.db2.gz JZAYRWROCURWIX-UHFFFAOYSA-N 0 0 312.457 3.733 10 0 DHAERN COc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1 ZINC000004880157 181167946 /nfs/dbraw/zinc/16/79/46/181167946.db2.gz HOQITGNXLUTLNE-UHFFFAOYSA-N 0 0 317.395 3.528 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(F)ccc1Br ZINC000075376826 191467706 /nfs/dbraw/zinc/46/77/06/191467706.db2.gz NNFNEIBQUNONFX-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 ZINC000005440766 181243521 /nfs/dbraw/zinc/24/35/21/181243521.db2.gz FAKGTQJYYRCZCC-UHFFFAOYSA-N 0 0 308.381 3.683 10 0 DHAERN COc1ccc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)cc1 ZINC000005550847 181256074 /nfs/dbraw/zinc/25/60/74/181256074.db2.gz SGABWKCFAQHTHP-LBPRGKRZSA-N 0 0 303.789 3.769 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSCc1cccnc1 ZINC000085333802 192490700 /nfs/dbraw/zinc/49/07/00/192490700.db2.gz RRCCPCAEOHFRFG-CQSZACIVSA-N 0 0 308.447 3.714 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(F)c(F)c2)c1 ZINC000005679826 181271219 /nfs/dbraw/zinc/27/12/19/181271219.db2.gz ORNMJACTWHNNFA-FPYGCLRLSA-N 0 0 319.307 3.634 10 0 DHAERN NC(=O)c1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000081271988 192243119 /nfs/dbraw/zinc/24/31/19/192243119.db2.gz AKMRPJWPCGMYDM-NEPJUHHUSA-N 0 0 320.820 3.594 10 0 DHAERN O=C(/C=C\c1ccc(Cl)cc1Cl)NCc1ccccn1 ZINC000005785272 181283567 /nfs/dbraw/zinc/28/35/67/181283567.db2.gz CQSASPDWISPXNT-ALCCZGGFSA-N 0 0 307.180 3.718 10 0 DHAERN CCCCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000005951021 181299891 /nfs/dbraw/zinc/29/98/91/181299891.db2.gz YEYVPULIKFUCDF-UHFFFAOYSA-N 0 0 322.364 3.984 10 0 DHAERN CCCCCONC(=O)Nc1ccccc1Br ZINC000005951345 181300253 /nfs/dbraw/zinc/30/02/53/181300253.db2.gz SHHHFCQNNTZOBX-UHFFFAOYSA-N 0 0 301.184 3.692 10 0 DHAERN CC(C)(C)C(=O)NC(NC(=O)C(C)(C)C)c1ccccc1Cl ZINC000006363750 181334321 /nfs/dbraw/zinc/33/43/21/181334321.db2.gz UIPYTYSUMRNDKH-UHFFFAOYSA-N 0 0 324.852 3.663 10 0 DHAERN CCCCCc1nnc(NC(=O)C(Cl)(Cl)Cl)s1 ZINC000006597849 181359237 /nfs/dbraw/zinc/35/92/37/181359237.db2.gz ANDIVFRDRSQJKB-UHFFFAOYSA-N 0 0 316.641 3.580 10 0 DHAERN COc1ccc(-c2nc(-c3ccccc3)c(C)n2O)cc1OC ZINC000006694207 181370588 /nfs/dbraw/zinc/37/05/88/181370588.db2.gz JIFWNCHDYCVZOJ-UHFFFAOYSA-N 0 0 310.353 3.780 10 0 DHAERN CCn1c(C)nnc1CSCCOc1cc(C)ccc1C ZINC000091027113 192972112 /nfs/dbraw/zinc/97/21/12/192972112.db2.gz WRBYXCJNWMDECL-UHFFFAOYSA-N 0 0 305.447 3.535 10 0 DHAERN CCOC(=O)c1c(C)[nH]c(NC(=O)Nc2ccc(C)cc2)c1C ZINC000006809952 181393728 /nfs/dbraw/zinc/39/37/28/181393728.db2.gz CIXPJZMKUQVKCH-UHFFFAOYSA-N 0 0 315.373 3.761 10 0 DHAERN COc1ccc(Cn2c(=S)[nH]c3c2ccnc3Cl)cc1 ZINC000091301740 193035045 /nfs/dbraw/zinc/03/50/45/193035045.db2.gz FAYGWNFJDORJPY-UHFFFAOYSA-N 0 0 305.790 3.804 10 0 DHAERN Fc1ccc(NC(=S)N[C@@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@H]32)cc1 ZINC000215729848 201470335 /nfs/dbraw/zinc/47/03/35/201470335.db2.gz QGSKFVUMFGVPNT-XZINFULNSA-N 0 0 302.418 3.713 10 0 DHAERN C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(Cl)cc1 ZINC000007587690 181477204 /nfs/dbraw/zinc/47/72/04/181477204.db2.gz NBQWDIUAIUPYCB-LBPRGKRZSA-N 0 0 300.789 3.730 10 0 DHAERN Cc1ccc(C(=O)NC2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000094203807 193348585 /nfs/dbraw/zinc/34/85/85/193348585.db2.gz QLSAXGDWUCBKBY-UHFFFAOYSA-N 0 0 303.299 3.985 10 0 DHAERN COc1cc(C=O)ccc1OC(=O)Nc1cccc(Cl)c1 ZINC000008470930 181557711 /nfs/dbraw/zinc/55/77/11/181557711.db2.gz CGLCEHSNZFXCTD-UHFFFAOYSA-N 0 0 305.717 3.772 10 0 DHAERN CCSc1ccc(C(=O)Nc2onc3c2CCCC3)cc1 ZINC000008976653 181594276 /nfs/dbraw/zinc/59/42/76/181594276.db2.gz RQQDTHHRMWLDTD-UHFFFAOYSA-N 0 0 302.399 3.918 10 0 DHAERN Cc1cnc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)s1 ZINC000010148755 181658572 /nfs/dbraw/zinc/65/85/72/181658572.db2.gz LCHZJPCQOFZEFS-UHFFFAOYSA-N 0 0 317.414 3.688 10 0 DHAERN C[C@H]1CCCCN1C(=O)Cc1cc(-c2ccc(Cl)cc2)on1 ZINC000012863267 181804576 /nfs/dbraw/zinc/80/45/76/181804576.db2.gz DRPXSKCAWVFYGT-LBPRGKRZSA-N 0 0 318.804 3.939 10 0 DHAERN Nc1cccc(SCC(=O)Nc2nc3ccccc3s2)c1 ZINC000014294339 181948032 /nfs/dbraw/zinc/94/80/32/181948032.db2.gz SFJYDDXJYXAOOP-UHFFFAOYSA-N 0 0 315.423 3.609 10 0 DHAERN N=C1S/C(=C\c2ccccc2O)C(=O)N1c1ccc(F)cc1 ZINC000015053438 181985138 /nfs/dbraw/zinc/98/51/38/181985138.db2.gz YWQSFLUHFYHGHV-PHUAOCSASA-N 0 0 314.341 3.587 10 0 DHAERN CCc1cc2c(ncnc2S[C@H](C)C(=O)NC(C)(C)C)s1 ZINC000016712692 182058848 /nfs/dbraw/zinc/05/88/48/182058848.db2.gz ZJXNSZNCZPRWHA-SECBINFHSA-N 0 0 323.487 3.649 10 0 DHAERN CC[C@@H](c1ccc(O)c(N)c1)[C@H](CC)c1ccc(O)c(N)c1 ZINC000017145735 182077280 /nfs/dbraw/zinc/07/72/80/182077280.db2.gz UTINGAQXLPFZLX-OKILXGFUSA-N 0 0 300.402 3.950 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(N2CCCC2=O)cc1 ZINC000017963246 182088250 /nfs/dbraw/zinc/08/82/50/182088250.db2.gz JSNQVHDIFOWNLP-HNNXBMFYSA-N 0 0 322.408 3.613 10 0 DHAERN C[C@H](NC(=O)c1ccc(Br)cc1F)c1ccco1 ZINC000018210380 182098695 /nfs/dbraw/zinc/09/86/95/182098695.db2.gz NLBZAMNSMHSJQI-QMMMGPOBSA-N 0 0 312.138 3.672 10 0 DHAERN O=C1NCCCC[C@@H]1Nc1cc(Cl)c(Cl)cc1Cl ZINC000019230820 182109486 /nfs/dbraw/zinc/10/94/86/182109486.db2.gz BPYKPUJIZBCWCJ-JTQLQIEISA-N 0 0 307.608 3.727 10 0 DHAERN Cc1ccc(N)c(C)c1NC(=O)c1cccc(Br)c1 ZINC000019517758 182127516 /nfs/dbraw/zinc/12/75/16/182127516.db2.gz LGQAYVJLZZVUHA-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CCS[C@H]1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1=O ZINC000019765952 182144744 /nfs/dbraw/zinc/14/47/44/182144744.db2.gz LXZYJOXALVIUGC-INIZCTEOSA-N 0 0 311.406 3.739 10 0 DHAERN Cc1ccc(SCC(=O)Nc2ccc(N)cc2C)c(C)c1 ZINC000019846281 182156675 /nfs/dbraw/zinc/15/66/75/182156675.db2.gz SMGBQDSIISIBLO-UHFFFAOYSA-N 0 0 300.427 3.925 10 0 DHAERN CCc1ccc(Cn2ncc3cc(Br)cnc32)cc1 ZINC000019807293 182152922 /nfs/dbraw/zinc/15/29/22/182152922.db2.gz JADGKLSRQAFSKU-UHFFFAOYSA-N 0 0 316.202 3.805 10 0 DHAERN Oc1ccc2c(c1)OC[C@H]2Nc1ccc(Br)cc1F ZINC000019908041 182163247 /nfs/dbraw/zinc/16/32/47/182163247.db2.gz JXCPTFBHSDKDFC-CYBMUJFWSA-N 0 0 324.149 3.839 10 0 DHAERN Oc1ccc2c(c1)OC[C@H]2Nc1ccccc1Br ZINC000019922848 182164356 /nfs/dbraw/zinc/16/43/56/182164356.db2.gz BPDZXTJAVSKBOG-CYBMUJFWSA-N 0 0 306.159 3.700 10 0 DHAERN Cc1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000020011117 182177655 /nfs/dbraw/zinc/17/76/55/182177655.db2.gz CNRPIKHDDQLXEF-LLVKDONJSA-N 0 0 304.777 3.637 10 0 DHAERN Nc1cc(Cl)ccc1Sc1nnc(C2CC2)n1C1CC1 ZINC000020024104 182180596 /nfs/dbraw/zinc/18/05/96/182180596.db2.gz GIAALOXMMYSMHT-UHFFFAOYSA-N 0 0 306.822 3.877 10 0 DHAERN Cc1nn(C)c(C)c1NCc1ccc(F)c(Br)c1 ZINC000020135416 182190898 /nfs/dbraw/zinc/19/08/98/182190898.db2.gz QLORCZZCOKNQAG-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN Cc1nn(C)c(C)c1CNc1ccc(Br)cc1C ZINC000020087792 182185822 /nfs/dbraw/zinc/18/58/22/182185822.db2.gz YFAJKOXJFCIKET-UHFFFAOYSA-N 0 0 308.223 3.720 10 0 DHAERN CCOC(=O)Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020311613 182205745 /nfs/dbraw/zinc/20/57/45/182205745.db2.gz GAYROPNAZDUPJB-UHFFFAOYSA-N 0 0 305.443 3.717 10 0 DHAERN C[C@H](Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1 ZINC000020307894 182205014 /nfs/dbraw/zinc/20/50/14/182205014.db2.gz HXYAUADTCQGGHT-VIFPVBQESA-N 0 0 301.217 3.853 10 0 DHAERN Cc1sc2ncnc(NC[C@@H](C)O)c2c1-c1ccc(F)cc1 ZINC000020321465 182207045 /nfs/dbraw/zinc/20/70/45/182207045.db2.gz QKDHPIAYXOMXCA-SECBINFHSA-N 0 0 317.389 3.599 10 0 DHAERN Cc1cccc(C(=O)Nc2nc(-c3cccc(N)c3)cs2)c1 ZINC000020336184 182209152 /nfs/dbraw/zinc/20/91/52/182209152.db2.gz HZHDAKOQVVUVAK-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN CCOC(=O)c1c(C)[nH]nc1Nc1ccc(Cl)cc1Cl ZINC000020353081 182210348 /nfs/dbraw/zinc/21/03/48/182210348.db2.gz WJIBZADFJNPILN-UHFFFAOYSA-N 0 0 314.172 3.945 10 0 DHAERN CCn1cc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)c2ccccc21 ZINC000020935167 182255036 /nfs/dbraw/zinc/25/50/36/182255036.db2.gz OFWMWEJCADGPTE-UHFFFAOYSA-N 0 0 308.381 3.649 10 0 DHAERN CC[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000021126820 182265801 /nfs/dbraw/zinc/26/58/01/182265801.db2.gz KMOYXJGVKRFEDM-GFCCVEGCSA-N 0 0 322.364 3.840 10 0 DHAERN CC(C)NC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000021713314 182284526 /nfs/dbraw/zinc/28/45/26/182284526.db2.gz QIIWUPACPRENQI-UHFFFAOYSA-N 0 0 313.382 3.603 10 0 DHAERN Cc1ccc(C)c(OCCN2c3ccccc3NC[C@H](C)C2=O)c1 ZINC000021793533 182289774 /nfs/dbraw/zinc/28/97/74/182289774.db2.gz QSPQQBPVPGLQNF-INIZCTEOSA-N 0 0 324.424 3.777 10 0 DHAERN Nc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)c(Cl)c1 ZINC000022000290 182302990 /nfs/dbraw/zinc/30/29/90/182302990.db2.gz DUQYSTOFYBWCDV-SSDOTTSWSA-N 0 0 309.593 3.726 10 0 DHAERN C[C@H](O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053797 182306988 /nfs/dbraw/zinc/30/69/88/182306988.db2.gz NSCGUYORSXNXSZ-IINYFYTJSA-N 0 0 303.358 3.778 10 0 in-vitro DHAERN O=C(N[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccnc(Cl)c1 ZINC000022764057 182333102 /nfs/dbraw/zinc/33/31/02/182333102.db2.gz PWRPZVCZESSPLH-NXEZZACHSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1ccccc1[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000024518911 182382360 /nfs/dbraw/zinc/38/23/60/182382360.db2.gz RCDCAFXEQWTQEL-HNAYVOBHSA-N 0 0 308.425 3.666 10 0 DHAERN COc1ccccc1[C@@H](C)N(C)C(=O)c1ccc(Cl)nc1 ZINC000025328687 182409294 /nfs/dbraw/zinc/40/92/94/182409294.db2.gz DGTITJZYDHZWGY-LLVKDONJSA-N 0 0 304.777 3.577 10 0 DHAERN Cc1ccc(C=C2NC(=S)N(c3ccccc3)C2=O)s1 ZINC000100143682 193795732 /nfs/dbraw/zinc/79/57/32/193795732.db2.gz GSWBNTZZGZWFHG-LCYFTJDESA-N 0 0 300.408 3.730 10 0 DHAERN COCCn1cc(N[C@H](c2cccs2)C2CCCC2)cn1 ZINC000037305500 182880123 /nfs/dbraw/zinc/88/01/23/182880123.db2.gz WPZDCIFYCDWFAR-INIZCTEOSA-N 0 0 305.447 3.934 10 0 DHAERN CC[C@H]1CCCC[C@@H]1Oc1nc(Cl)c(C(=O)OC)s1 ZINC000037578843 182910267 /nfs/dbraw/zinc/91/02/67/182910267.db2.gz SYGDIEVUWNYMKI-IUCAKERBSA-N 0 0 303.811 3.931 10 0 DHAERN COc1ccc(OC)c(NCc2nc3ccccc3s2)c1 ZINC000037977678 182948970 /nfs/dbraw/zinc/94/89/70/182948970.db2.gz ZPZQQSBAEVDIQF-UHFFFAOYSA-N 0 0 300.383 3.926 10 0 DHAERN C[C@@H](c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)o1 ZINC000038089890 182988215 /nfs/dbraw/zinc/98/82/15/182988215.db2.gz DIMPVFGYDDMRCO-VIFPVBQESA-N 0 0 324.174 3.581 10 0 DHAERN CC(C)C[C@@H](C(=O)Nc1ccccc1)N(C)C(=O)c1ccccc1 ZINC000038806887 183010203 /nfs/dbraw/zinc/01/02/03/183010203.db2.gz KTMLPUOIXSRKIP-SFHVURJKSA-N 0 0 324.424 3.812 10 0 DHAERN COc1ccc(-c2[nH]c3ccc(OC)cc3c(=O)c2Cl)cc1 ZINC000039123932 183013890 /nfs/dbraw/zinc/01/38/90/183013890.db2.gz YTVVWUDZDJRLQZ-UHFFFAOYSA-N 0 0 315.756 3.866 10 0 DHAERN Cc1ccc(OCCCn2c(CO)nc3cc(C)c(C)cc32)cc1 ZINC000040309020 183053319 /nfs/dbraw/zinc/05/33/19/183053319.db2.gz PZZAEZPLAUWUJD-UHFFFAOYSA-N 0 0 324.424 3.923 10 0 DHAERN CCCNC(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040306550 183053620 /nfs/dbraw/zinc/05/36/20/183053620.db2.gz NTDHUTXVNNSGTA-UHFFFAOYSA-N 0 0 307.397 3.538 10 0 DHAERN CCN(c1ccccc1)c1ncnc(N2CCCCCC2)c1N ZINC000040679481 183116609 /nfs/dbraw/zinc/11/66/09/183116609.db2.gz XBRPCIVRUFUUCA-UHFFFAOYSA-N 0 0 311.433 3.597 10 0 DHAERN Cc1ccc2c(cccc2Nc2ncnc(NC(C)(C)C)c2N)n1 ZINC000040680763 183117094 /nfs/dbraw/zinc/11/70/94/183117094.db2.gz GSZQAJBRUNPSJP-UHFFFAOYSA-N 0 0 322.416 3.869 10 0 DHAERN CC(C)(C)Nc1ncnc(Nc2ccc(F)c(Cl)c2)c1N ZINC000040680675 183117426 /nfs/dbraw/zinc/11/74/26/183117426.db2.gz ILXWQHRPMSNGOE-UHFFFAOYSA-N 0 0 309.776 3.805 10 0 DHAERN COc1ccc(Oc2ncnc(NC3CCCCC3)c2N)cc1 ZINC000040708792 183121336 /nfs/dbraw/zinc/12/13/36/183121336.db2.gz BYJXROCXWLTTEF-UHFFFAOYSA-N 0 0 314.389 3.604 10 0 DHAERN COc1cccc(Nc2ncnc(Oc3ccccc3)c2N)c1 ZINC000040688095 183117724 /nfs/dbraw/zinc/11/77/24/183117724.db2.gz DIAHGVDZIFXLSS-UHFFFAOYSA-N 0 0 308.341 3.603 10 0 DHAERN Nc1c(Oc2ccc3ccccc3c2)ncnc1N1CCCC1 ZINC000040687741 183117825 /nfs/dbraw/zinc/11/78/25/183117825.db2.gz JEFFCGXAYHUNAL-UHFFFAOYSA-N 0 0 306.369 3.605 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2ncccc2C)c1N ZINC000040688239 183117870 /nfs/dbraw/zinc/11/78/70/183117870.db2.gz RMGURWYKMXIRBP-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Nc1c(Oc2ccccc2)ncnc1N1CCc2ccccc21 ZINC000040687417 183118131 /nfs/dbraw/zinc/11/81/31/183118131.db2.gz FEOTVOPQIWEWBX-UHFFFAOYSA-N 0 0 304.353 3.545 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ccccc3C)c2N)n1 ZINC000040685543 183118159 /nfs/dbraw/zinc/11/81/59/183118159.db2.gz ZQRJTRYKHGTMCI-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccccn3)c2N)cc1C ZINC000040702845 183119696 /nfs/dbraw/zinc/11/96/96/183119696.db2.gz BOHZMKKAZJIINO-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccccc1Oc1ncnc(Nc2ccccc2C)c1N ZINC000040781261 183132975 /nfs/dbraw/zinc/13/29/75/183132975.db2.gz JCKCDRLYTQBBBP-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1OC1CCCCC1 ZINC000040779650 183133078 /nfs/dbraw/zinc/13/30/78/183133078.db2.gz JCXKWYZRKOIUGL-UHFFFAOYSA-N 0 0 319.796 3.562 10 0 DHAERN COc1ccc(Nc2ncnc(OC3CCCCC3)c2N)cc1 ZINC000040782641 183133832 /nfs/dbraw/zinc/13/38/32/183133832.db2.gz AKZIDKKCUCPEMW-UHFFFAOYSA-N 0 0 314.389 3.523 10 0 DHAERN CC(C)Oc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040796016 183135054 /nfs/dbraw/zinc/13/50/54/183135054.db2.gz RIVJHEXGIPAKGG-UHFFFAOYSA-N 0 0 312.398 3.545 10 0 DHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1Oc1ccccc1 ZINC000040796107 183135457 /nfs/dbraw/zinc/13/54/57/183135457.db2.gz LIQJYIYBCQHVFU-UHFFFAOYSA-N 0 0 314.295 3.873 10 0 DHAERN Nc1c(Nc2cccc3ccccc32)ncnc1N1CCCC1 ZINC000040724322 183124629 /nfs/dbraw/zinc/12/46/29/183124629.db2.gz DHXDTDLXIZIEMU-UHFFFAOYSA-N 0 0 305.385 3.556 10 0 DHAERN CCCC(=O)N(c1ccc(C)cc1)S(=O)(=O)c1ccccc1 ZINC000040966310 183152930 /nfs/dbraw/zinc/15/29/30/183152930.db2.gz PJAACDQPRYCOQY-UHFFFAOYSA-N 0 0 317.410 3.517 10 0 DHAERN O=C(Nc1ccnc2c(F)cc(F)cc12)c1ccc(F)cc1 ZINC000041058155 183160770 /nfs/dbraw/zinc/16/07/70/183160770.db2.gz CQYZAGCHVVDYIY-UHFFFAOYSA-N 0 0 302.255 3.904 10 0 DHAERN COc1cc2c(cc1OC)[C@@H](CC(=O)NC1CCCCC1)CC2 ZINC000040866269 183144658 /nfs/dbraw/zinc/14/46/58/183144658.db2.gz TZGNAIJIRIIDIG-CQSZACIVSA-N 0 0 317.429 3.573 10 0 DHAERN COc1ccccc1NC(=O)c1cccc(OC)c1OC(F)F ZINC000041779589 183219678 /nfs/dbraw/zinc/21/96/78/183219678.db2.gz ZWWCRNCFYNXHIH-UHFFFAOYSA-N 0 0 323.295 3.558 10 0 DHAERN CNc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042033528 183229821 /nfs/dbraw/zinc/22/98/21/183229821.db2.gz VGOUJDWQSZXQHB-QWRGUYRKSA-N 0 0 300.324 3.579 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1ccc(Cl)cc1Cl ZINC000042528727 183281059 /nfs/dbraw/zinc/28/10/59/183281059.db2.gz PQQXRGGCZVCUMB-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN O=S1CCC(Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000042336272 183255856 /nfs/dbraw/zinc/25/58/56/183255856.db2.gz QBCHLMOTYLMNIQ-UHFFFAOYSA-N 0 0 311.756 3.682 10 0 DHAERN CC[C@@H](C)N(CCOC)c1cc(Br)ccc1C=O ZINC000042585151 183287834 /nfs/dbraw/zinc/28/78/34/183287834.db2.gz WXAILGFEKUSUJE-LLVKDONJSA-N 0 0 314.223 3.513 10 0 DHAERN CC(C)C[C@H](C)N(C)c1cc(Br)ccc1CO ZINC000042586041 183287957 /nfs/dbraw/zinc/28/79/57/183287957.db2.gz KRISKSQDUCWVSL-NSHDSACASA-N 0 0 300.240 3.812 10 0 DHAERN Cc1ccc([C@H](C)Nc2ncc(Br)cc2N)s1 ZINC000042599724 183289759 /nfs/dbraw/zinc/28/97/59/183289759.db2.gz UPARITUDADXBDW-QMMMGPOBSA-N 0 0 312.236 3.969 10 0 DHAERN CC(C)[C@@H](Sc1nncs1)C(=O)N[C@H](C)c1ccccc1 ZINC000042987305 183326387 /nfs/dbraw/zinc/32/63/87/183326387.db2.gz NIHGZXVTVKCIMX-DGCLKSJQSA-N 0 0 321.471 3.532 10 0 DHAERN FC(F)(F)c1cccc(-c2cnc(Br)cn2)c1 ZINC000044117443 183395219 /nfs/dbraw/zinc/39/52/19/183395219.db2.gz FIPZQHBPHSKDDA-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN O=Cc1cccc(OCC(=O)c2cccc(Br)c2)c1 ZINC000047821620 183605630 /nfs/dbraw/zinc/60/56/30/183605630.db2.gz HHHCZMGXQJVXED-UHFFFAOYSA-N 0 0 319.154 3.523 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)c1cccc(F)c1)C2 ZINC000106370959 194202455 /nfs/dbraw/zinc/20/24/55/194202455.db2.gz MHOOJVMQJYWLQZ-ZDUSSCGKSA-N 0 0 301.409 3.802 10 0 DHAERN COc1ccc(C[C@@]2(O)CCC[C@@H](C)C2)cc1Br ZINC000049597562 183746039 /nfs/dbraw/zinc/74/60/39/183746039.db2.gz JZTHEWDBBGFZMN-IAQYHMDHSA-N 0 0 313.235 3.941 10 0 DHAERN O=C1Cc2cc([C@@H](O)c3ccc(Cl)s3)c(Cl)cc2N1 ZINC000051172991 183818671 /nfs/dbraw/zinc/81/86/71/183818671.db2.gz KSEBKAIPGNDDLH-CYBMUJFWSA-N 0 0 314.193 3.631 10 0 DHAERN S=C1N=NC(c2cccs2)N1Cc1cccc(Cl)c1 ZINC000053159170 183890687 /nfs/dbraw/zinc/89/06/87/183890687.db2.gz ASTFAYONXIOZKQ-UHFFFAOYSA-N 0 0 307.831 3.997 10 0 DHAERN CCOc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000053961250 183917836 /nfs/dbraw/zinc/91/78/36/183917836.db2.gz SCGWXVSNLQHLMJ-INIZCTEOSA-N 0 0 312.369 3.731 10 0 DHAERN Cc1cc(-n2c(N)nc3cc(Br)ccc32)ccc1F ZINC000061119935 184162198 /nfs/dbraw/zinc/16/21/98/184162198.db2.gz PPTRTRKEBZIFGR-UHFFFAOYSA-N 0 0 320.165 3.818 10 0 DHAERN Cc1c(N)cccc1N(C)Cc1cccc(Br)c1 ZINC000062724882 184250937 /nfs/dbraw/zinc/25/09/37/184250937.db2.gz KNASQCVBVZMHTI-UHFFFAOYSA-N 0 0 305.219 3.976 10 0 DHAERN FC(F)(F)/C=C(\Br)C(F)(F)Br ZINC000064370191 184295501 /nfs/dbraw/zinc/29/55/01/184295501.db2.gz VDBSJDJYQXHGCV-UPHRSURJSA-N 0 0 303.850 3.815 10 0 DHAERN CCC(=O)N1CCC[C@H](c2ccnc(Nc3cccc(C)c3)n2)C1 ZINC000065148046 184311532 /nfs/dbraw/zinc/31/15/32/184311532.db2.gz UVRNJCUQIIRUAB-HNNXBMFYSA-N 0 0 324.428 3.645 10 0 DHAERN O=C(c1ccncc1)N1CCC(CCOCc2ccccc2)CC1 ZINC000064677968 184302921 /nfs/dbraw/zinc/30/29/21/184302921.db2.gz BAINDYAEPLAZBE-UHFFFAOYSA-N 0 0 324.424 3.541 10 0 DHAERN COc1ccc(-c2cc(O)cc(Br)c2)c(OC)c1 ZINC000065343883 184325531 /nfs/dbraw/zinc/32/55/31/184325531.db2.gz CCORBMRJSARVLG-UHFFFAOYSA-N 0 0 309.159 3.839 10 0 DHAERN CC(=O)Nc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1 ZINC000065344256 184326076 /nfs/dbraw/zinc/32/60/76/184326076.db2.gz GTHBIUJMHBIXFN-UHFFFAOYSA-N 0 0 311.259 3.916 10 0 DHAERN CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194239451 335064697 /nfs/dbraw/zinc/06/46/97/335064697.db2.gz CPXUNNAZEBVLKC-RHSMWYFYSA-N 0 0 315.417 3.741 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000121006763 132151795 /nfs/dbraw/zinc/15/17/95/132151795.db2.gz IQIDCDMISGKGHU-WMLDXEAASA-N 0 0 314.385 3.652 10 0 DHAERN C[C@@H](O)c1ccc(N2C[C@H](C)C[C@H](C)C2)c(Br)c1 ZINC000061694928 134803265 /nfs/dbraw/zinc/80/32/65/134803265.db2.gz ZZPJCYSDUMBRFD-GRYCIOLGSA-N 0 0 312.251 3.985 10 0 DHAERN C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1F)c1ccccc1O2 ZINC000067225316 134833073 /nfs/dbraw/zinc/83/30/73/134833073.db2.gz AUVZNFLTIBDCHF-GUYCJALGSA-N 0 0 316.307 3.734 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)NCC2(C(C)C)CC2)cc1OC ZINC000175589899 332897256 /nfs/dbraw/zinc/89/72/56/332897256.db2.gz ANORIRLPEHFMOB-CYBMUJFWSA-N 0 0 320.433 3.500 10 0 DHAERN COc1ccccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083631 331509470 /nfs/dbraw/zinc/50/94/70/331509470.db2.gz CVRRIWNRGQXKQF-RYUDHWBXSA-N 0 0 303.308 3.716 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC(=O)Nc3ccccc32)CC(C)(C)C1 ZINC000180576564 331573451 /nfs/dbraw/zinc/57/34/51/331573451.db2.gz ATJGFOOVSJMGIP-KBPBESRZSA-N 0 0 314.429 3.824 10 0 DHAERN Nc1ccccc1NC(=O)COc1c(Cl)cccc1Cl ZINC000037543449 331579897 /nfs/dbraw/zinc/57/98/97/331579897.db2.gz YQGKXVYSVUDDCN-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180868839 332142614 /nfs/dbraw/zinc/14/26/14/332142614.db2.gz HTGIKWOSNUKUSY-UKRRQHHQSA-N 0 0 317.429 3.803 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1noc3ccccc13)[C@@H](C)C2 ZINC000181245206 332187808 /nfs/dbraw/zinc/18/78/08/332187808.db2.gz YBAQMQSROZTSHE-RNODOKPDSA-N 0 0 320.392 3.728 10 0 DHAERN COc1cccc(CCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000088234523 332310324 /nfs/dbraw/zinc/31/03/24/332310324.db2.gz IZZULSBHWCRNIC-AWEZNQCLSA-N 0 0 315.388 3.953 10 0 DHAERN Oc1ccccc1SCc1noc(-c2ccc(F)cc2)n1 ZINC000050046698 332335399 /nfs/dbraw/zinc/33/53/99/332335399.db2.gz FFXIRFXJBSAILA-UHFFFAOYSA-N 0 0 302.330 3.874 10 0 DHAERN COc1cc(CN(C)C(=O)[C@H]2C[C@@H]2C2CCCCC2)ccc1O ZINC000120148198 332383967 /nfs/dbraw/zinc/38/39/67/332383967.db2.gz KHRRFOZNWDRNAD-CVEARBPZSA-N 0 0 317.429 3.576 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000129943622 332525928 /nfs/dbraw/zinc/52/59/28/332525928.db2.gz WUPSMYSYUQDINJ-INIZCTEOSA-N 0 0 308.381 3.648 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1F ZINC000075375622 334360535 /nfs/dbraw/zinc/36/05/35/334360535.db2.gz ZHJKNTVIVUUQLS-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN COCCCCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000047912594 332644285 /nfs/dbraw/zinc/64/42/85/332644285.db2.gz RJJLGJDTWWIEIK-CQSZACIVSA-N 0 0 300.402 3.627 10 0 DHAERN C[C@@H](NC(=O)NCCCc1ccccn1)c1ccc(Cl)s1 ZINC000179171383 333024672 /nfs/dbraw/zinc/02/46/72/333024672.db2.gz DSKDAFLDKPAVHQ-LLVKDONJSA-N 0 0 323.849 3.790 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000171730512 333053372 /nfs/dbraw/zinc/05/33/72/333053372.db2.gz CPIRBXSVWOUXAD-JSGCOSHPSA-N 0 0 303.431 3.576 10 0 DHAERN CS[C@@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccccc1 ZINC000172362557 333062184 /nfs/dbraw/zinc/06/21/84/333062184.db2.gz DHFQUICIDFDCNW-DOTOQJQBSA-N 0 0 313.422 3.731 10 0 DHAERN COCCN[C@H](c1nc(C(C)(C)C)cs1)c1ccccc1 ZINC000053290398 333065549 /nfs/dbraw/zinc/06/55/49/333065549.db2.gz RHBXODWMQCSYHU-HNNXBMFYSA-N 0 0 304.459 3.766 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)NCCc1cccc(Br)c1 ZINC000314157175 333090319 /nfs/dbraw/zinc/09/03/19/333090319.db2.gz GQLCKUFQBRNIJV-FZMZJTMJSA-N 0 0 310.235 3.544 10 0 DHAERN C[C@H]1CN(C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CCS1 ZINC000181819186 333105261 /nfs/dbraw/zinc/10/52/61/333105261.db2.gz JPDLVJKCFCSRNP-UWVGGRQHSA-N 0 0 312.401 3.500 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CCS1 ZINC000181819203 333105299 /nfs/dbraw/zinc/10/52/99/333105299.db2.gz JPDLVJKCFCSRNP-NXEZZACHSA-N 0 0 312.401 3.500 10 0 DHAERN C[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)c1cccs1 ZINC000177718308 333131976 /nfs/dbraw/zinc/13/19/76/333131976.db2.gz RLBIYGFNSOTQBC-LLVKDONJSA-N 0 0 319.430 3.599 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)CCc1cccc(N(C)C)c1 ZINC000187905589 333152883 /nfs/dbraw/zinc/15/28/83/333152883.db2.gz SYPJYUWSTUBPGB-MRXNPFEDSA-N 0 0 310.441 3.871 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000187991817 333156075 /nfs/dbraw/zinc/15/60/75/333156075.db2.gz DTZWIWHMEHRCNL-CXAGYDPISA-N 0 0 303.402 3.762 10 0 DHAERN Cc1cnccc1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000188074017 333158679 /nfs/dbraw/zinc/15/86/79/333158679.db2.gz YXPDKQLQNKZZBQ-OAHLLOKOSA-N 0 0 308.425 3.689 10 0 DHAERN CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC[C@H]1C ZINC000188116346 333159808 /nfs/dbraw/zinc/15/98/08/333159808.db2.gz KTAAPZRPDAESAZ-UTRMSSBJSA-N 0 0 315.457 3.797 10 0 DHAERN CCn1ccnc1CN[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000182609204 333179030 /nfs/dbraw/zinc/17/90/30/333179030.db2.gz VQURCVZQZKFVNJ-CYBMUJFWSA-N 0 0 319.277 3.574 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1 ZINC000182189225 333183044 /nfs/dbraw/zinc/18/30/44/333183044.db2.gz QCXSJPDUYUAIIY-PIGZYNQJSA-N 0 0 313.422 3.922 10 0 DHAERN CC1(C)C[C@@H](NC(=O)Nc2ccncc2F)c2ccccc2O1 ZINC000184147263 333192367 /nfs/dbraw/zinc/19/23/67/333192367.db2.gz VAGCZQHSOMVJEH-CQSZACIVSA-N 0 0 315.348 3.645 10 0 DHAERN C[C@H](C(=O)N[C@@H]1COc2ccccc21)c1cn(C)c2ccccc12 ZINC000185191043 333205547 /nfs/dbraw/zinc/20/55/47/333205547.db2.gz GQYHOAPTDYZBDG-SUMWQHHRSA-N 0 0 320.392 3.532 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187736115 333236807 /nfs/dbraw/zinc/23/68/07/333236807.db2.gz GZQUMNQETCJTHL-XIRDDKMYSA-N 0 0 323.502 3.889 10 0 DHAERN O=C(c1cc(Cl)cc(Cl)c1)N1CCNCc2ccccc21 ZINC000062818525 333337438 /nfs/dbraw/zinc/33/74/38/333337438.db2.gz LFGMXGUUXWXNIV-UHFFFAOYSA-N 0 0 321.207 3.743 10 0 DHAERN C[C@@H]1CCCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000188290901 333362944 /nfs/dbraw/zinc/36/29/44/333362944.db2.gz JUIWQXVJVMPOKW-FRRDWIJNSA-N 0 0 306.372 3.939 10 0 DHAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000021051671 333386716 /nfs/dbraw/zinc/38/67/16/333386716.db2.gz NLQRJFRTKDTZGY-SNVBAGLBSA-N 0 0 311.353 3.541 10 0 DHAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)o1 ZINC000021187930 333418226 /nfs/dbraw/zinc/41/82/26/333418226.db2.gz RWIJLFJILRCIMH-CYBMUJFWSA-N 0 0 315.394 3.781 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccnn1C(C)C)[C@H](C)C2 ZINC000182411960 333501334 /nfs/dbraw/zinc/50/13/34/333501334.db2.gz PEKLBIWSCFWDAR-CXAGYDPISA-N 0 0 312.417 3.827 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000152232966 333648938 /nfs/dbraw/zinc/64/89/38/333648938.db2.gz KVEFACIBVTZUSP-GJZGRUSLSA-N 0 0 303.450 3.692 10 0 DHAERN CCOC(C)(C)CNC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000187568823 334265095 /nfs/dbraw/zinc/26/50/95/334265095.db2.gz JAJKMQJSCFKGHW-HNNXBMFYSA-N 0 0 322.449 3.894 10 0 DHAERN C[C@@H](NCCn1cccn1)c1c(Cl)ccc(F)c1Cl ZINC000049074852 334307529 /nfs/dbraw/zinc/30/75/29/334307529.db2.gz GEXNGGHFOSGHBK-SECBINFHSA-N 0 0 302.180 3.680 10 0 DHAERN Clc1ccc2c(c1Cl)CC[C@H]2N[C@H]1CCCn2ncnc21 ZINC000164812858 334669109 /nfs/dbraw/zinc/66/91/09/334669109.db2.gz IVMBBAAWJACMGY-OLZOCXBDSA-N 0 0 323.227 3.697 10 0 DHAERN C[C@@H](N[C@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164818091 334669529 /nfs/dbraw/zinc/66/95/29/334669529.db2.gz NOZLNXWGBPQNOF-KDOFPFPSSA-N 0 0 319.412 3.526 10 0 DHAERN C[C@@H](NC(=O)NCc1cscn1)c1ccc2ccccc2c1 ZINC000051310432 335705948 /nfs/dbraw/zinc/70/59/48/335705948.db2.gz FZZRLQCAOCGGEK-GFCCVEGCSA-N 0 0 311.410 3.857 10 0 DHAERN CCCCOc1cccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000054470345 335886076 /nfs/dbraw/zinc/88/60/76/335886076.db2.gz FFPZLCHOXRBJAC-XJKSGUPXSA-N 0 0 306.406 3.555 10 0 DHAERN O=C(COCc1ccccc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000179377114 335952684 /nfs/dbraw/zinc/95/26/84/335952684.db2.gz CRZMTLALRXQTEV-SFHVURJKSA-N 0 0 313.372 3.536 10 0 DHAERN C[C@@H](NC(=O)c1ncc(F)cc1F)c1ccc(F)c(Cl)c1 ZINC000192227933 336022665 /nfs/dbraw/zinc/02/26/65/336022665.db2.gz QEXHVQBFQBQZKV-SSDOTTSWSA-N 0 0 314.694 3.643 10 0 DHAERN C/C=C\C[C@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000351638226 336053833 /nfs/dbraw/zinc/05/38/33/336053833.db2.gz BGODOUNDYXLPLC-VHQYZPEUSA-N 0 0 312.413 3.527 10 0 DHAERN Cc1nc(C(C)C)oc1Cn1cnc2cc(Cl)ccc2c1=O ZINC000333020786 336196862 /nfs/dbraw/zinc/19/68/62/336196862.db2.gz DVEWDCMEPOLIHF-UHFFFAOYSA-N 0 0 317.776 3.518 10 0 DHAERN Cc1cc(NC(=O)N2CC(O)(C3CC3)C2)ccc1-c1ccccc1 ZINC000333162047 336198903 /nfs/dbraw/zinc/19/89/03/336198903.db2.gz NTQKTOCSYQFJFM-UHFFFAOYSA-N 0 0 322.408 3.651 10 0 DHAERN CCCc1cnc(NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)s1 ZINC000333484593 336204560 /nfs/dbraw/zinc/20/45/60/336204560.db2.gz HVGSHOQIOGSRAI-BBRMVZONSA-N 0 0 323.462 3.517 10 0 DHAERN COC[C@@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000103357724 336240189 /nfs/dbraw/zinc/24/01/89/336240189.db2.gz OOODBVIMTRLVHV-MRXNPFEDSA-N 0 0 311.425 3.607 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000103383836 336241304 /nfs/dbraw/zinc/24/13/04/336241304.db2.gz HJVJDGHMRQYFEK-CYBMUJFWSA-N 0 0 315.369 3.709 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000103391257 336241492 /nfs/dbraw/zinc/24/14/92/336241492.db2.gz WTCQIDVXJDQBSP-LSDHHAIUSA-N 0 0 313.397 3.939 10 0 DHAERN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@H](C)C(C)C)c1 ZINC000043066114 336244948 /nfs/dbraw/zinc/24/49/48/336244948.db2.gz PXNXWXDRMMKSPX-UONOGXRCSA-N 0 0 319.449 3.515 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C ZINC000043067597 336244961 /nfs/dbraw/zinc/24/49/61/336244961.db2.gz SFYXIQSLMRZIQF-IUODEOHRSA-N 0 0 302.422 3.604 10 0 DHAERN Brc1ccc(N[C@@H]2CCN(c3ccccc3)C2)nc1 ZINC000301339869 336301338 /nfs/dbraw/zinc/30/13/38/336301338.db2.gz DREKHCVIVIGVIC-CYBMUJFWSA-N 0 0 318.218 3.535 10 0 DHAERN Cc1cccc(C)c1OC1CCN(c2nc(C(C)C)no2)CC1 ZINC000301347498 336301859 /nfs/dbraw/zinc/30/18/59/336301859.db2.gz UANPCNODGLQYIR-UHFFFAOYSA-N 0 0 315.417 3.858 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1ncccc1C(=O)N1CCc2ccccc21 ZINC000301457797 336307972 /nfs/dbraw/zinc/30/79/72/336307972.db2.gz SNZIXVSAIPBXIU-RDJZCZTQSA-N 0 0 321.424 3.885 10 0 DHAERN CCc1cnc(CNc2nn3cc(C(C)(C)C)nc3s2)s1 ZINC000301472502 336308979 /nfs/dbraw/zinc/30/89/79/336308979.db2.gz QELBACMNVVYVBG-UHFFFAOYSA-N 0 0 321.475 3.719 10 0 DHAERN Cc1cc(N(C)[C@@H](C)Cc2ccsc2)nc(-c2cccnc2)n1 ZINC000301496415 336310315 /nfs/dbraw/zinc/31/03/15/336310315.db2.gz UASZOALIKZXDMY-AWEZNQCLSA-N 0 0 324.453 3.976 10 0 DHAERN c1csc(-c2n[nH]c(CNc3ccc4ccccc4n3)n2)c1 ZINC000301545914 336313879 /nfs/dbraw/zinc/31/38/79/336313879.db2.gz DNSZDMJOVHMTOA-UHFFFAOYSA-N 0 0 307.382 3.694 10 0 DHAERN CC(C)(C)c1nccc(Sc2n[nH]c(-c3cccs3)n2)n1 ZINC000301556870 336314658 /nfs/dbraw/zinc/31/46/58/336314658.db2.gz WUVZBCPXGUATNA-UHFFFAOYSA-N 0 0 317.443 3.772 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000301575167 336315972 /nfs/dbraw/zinc/31/59/72/336315972.db2.gz SISFYYQPDPJVOU-OABGYEMISA-N 0 0 320.380 3.592 10 0 DHAERN CCCc1nnc(NCCc2ccc(Br)o2)s1 ZINC000301677568 336322799 /nfs/dbraw/zinc/32/27/99/336322799.db2.gz DEOMYCZJCPCMNF-UHFFFAOYSA-N 0 0 316.224 3.501 10 0 DHAERN CC(C)(C)c1nccc(NCCc2ccc(Br)o2)n1 ZINC000301679741 336322976 /nfs/dbraw/zinc/32/29/76/336322976.db2.gz FANJJDOZTXWUKU-UHFFFAOYSA-N 0 0 324.222 3.784 10 0 DHAERN CCc1sc([C@H](C)Nc2nnnn2-c2ccccc2)cc1C ZINC000301766417 336328455 /nfs/dbraw/zinc/32/84/55/336328455.db2.gz HJMAZVFKAFHASV-LBPRGKRZSA-N 0 0 313.430 3.768 10 0 DHAERN C[C@@H](Nc1cncc(Cl)n1)c1cnn(Cc2ccccc2)c1 ZINC000301844376 336333754 /nfs/dbraw/zinc/33/37/54/336333754.db2.gz LNFKVTXTHXAEHZ-GFCCVEGCSA-N 0 0 313.792 3.548 10 0 DHAERN c1ccc(OC[C@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301853413 336334296 /nfs/dbraw/zinc/33/42/96/336334296.db2.gz CDLDBSJWKYGEMN-HNNXBMFYSA-N 0 0 307.397 3.858 10 0 DHAERN Cc1nc(Cl)cc(N2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000301857301 336334512 /nfs/dbraw/zinc/33/45/12/336334512.db2.gz ZPXHIJANBMQEPH-ZDUSSCGKSA-N 0 0 324.211 3.750 10 0 DHAERN CSc1ccc(NCCc2csc(C(C)(C)C)n2)nn1 ZINC000301871780 336335445 /nfs/dbraw/zinc/33/54/45/336335445.db2.gz HIUQDUZXJTTXRU-UHFFFAOYSA-N 0 0 308.476 3.607 10 0 DHAERN FC(F)(F)c1cccnc1NCCNc1nc2ccccc2[nH]1 ZINC000301885422 336336312 /nfs/dbraw/zinc/33/63/12/336336312.db2.gz OOCLCPNRLSVCFH-UHFFFAOYSA-N 0 0 321.306 3.501 10 0 DHAERN CCc1ncnc(NCCCc2nc3ccccc3s2)c1F ZINC000301949359 336339461 /nfs/dbraw/zinc/33/94/61/336339461.db2.gz YZWDDURUTPUKCZ-UHFFFAOYSA-N 0 0 316.405 3.833 10 0 DHAERN CN(Cc1cc(Cl)cn1C)c1cc(Cl)nc(C2CC2)n1 ZINC000301970296 336340525 /nfs/dbraw/zinc/34/05/25/336340525.db2.gz REYNRFHYLHSOBV-UHFFFAOYSA-N 0 0 311.216 3.636 10 0 DHAERN CN(C)c1ccnc(N[C@H]2CCCOc3c(Cl)cccc32)n1 ZINC000302031129 336344162 /nfs/dbraw/zinc/34/41/62/336344162.db2.gz SCHHCNIFTAFEIH-ZDUSSCGKSA-N 0 0 318.808 3.522 10 0 DHAERN Cc1ccc2c(c1)[C@@H](Nc1ccc(S(C)(=O)=O)cc1)[C@H](C)C2 ZINC000302124786 336349689 /nfs/dbraw/zinc/34/96/89/336349689.db2.gz FMJSQZAVWDWSLY-ACJLOTCBSA-N 0 0 315.438 3.744 10 0 DHAERN C[C@@H]1CCN(c2nnc(Cc3ccccc3F)s2)C[C@@H]1C ZINC000302156057 336351344 /nfs/dbraw/zinc/35/13/44/336351344.db2.gz MYOPHQVSQMAWGG-NEPJUHHUSA-N 0 0 305.422 3.750 10 0 DHAERN CC(C)[C@H](Nc1nccn2c1nnc2C1CC1)c1ccccc1 ZINC000302192294 336353246 /nfs/dbraw/zinc/35/32/46/336353246.db2.gz BYJUKQWMFZAMMZ-HNNXBMFYSA-N 0 0 307.401 3.811 10 0 DHAERN Cc1nc(CN(C)c2ccc3ccc(Cl)c(C)c3n2)no1 ZINC000302198716 336353585 /nfs/dbraw/zinc/35/35/85/336353585.db2.gz UILRPBWBIRJGHB-UHFFFAOYSA-N 0 0 302.765 3.524 10 0 DHAERN Cc1cncc(N[C@H]2CCc3cc(Br)ccc32)n1 ZINC000302218869 336354619 /nfs/dbraw/zinc/35/46/19/336354619.db2.gz LFSOPQSXAWUWMD-ZDUSSCGKSA-N 0 0 304.191 3.647 10 0 DHAERN Cc1nc2scc(CC(C)C)c2c(Oc2cnn(C)c2)n1 ZINC000302277505 336356639 /nfs/dbraw/zinc/35/66/39/336356639.db2.gz IIRNHCBQLSRBEW-UHFFFAOYSA-N 0 0 302.403 3.724 10 0 DHAERN C[C@@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)CCC1=O ZINC000302462694 336359201 /nfs/dbraw/zinc/35/92/01/336359201.db2.gz RWVAPBORHPVCNG-CQSZACIVSA-N 0 0 317.392 3.712 10 0 DHAERN Clc1cncnc1N[C@H]1C[C@@H]1c1ccccc1Br ZINC000302617825 336362733 /nfs/dbraw/zinc/36/27/33/336362733.db2.gz GHEIJJZQJRJOMI-SKDRFNHKSA-N 0 0 324.609 3.861 10 0 DHAERN CNc1c(Cl)ncnc1N[C@H](C)c1csc(C(C)C)n1 ZINC000302734503 336367036 /nfs/dbraw/zinc/36/70/36/336367036.db2.gz OFWWGJDMBFSPFJ-MRVPVSSYSA-N 0 0 311.842 3.925 10 0 DHAERN CCc1nnc(N[C@H](C)c2csc(C(C)C)n2)nc1CC ZINC000302735879 336367225 /nfs/dbraw/zinc/36/72/25/336367225.db2.gz OSSJEOPQTGHWSV-SNVBAGLBSA-N 0 0 305.451 3.749 10 0 DHAERN CCS(=O)(=O)c1ccc(N(C)Cc2ccc(C)c(F)c2)cc1 ZINC000302742865 336367543 /nfs/dbraw/zinc/36/75/43/336367543.db2.gz ZRGCOHULGGBDIX-UHFFFAOYSA-N 0 0 321.417 3.564 10 0 DHAERN CC(C)(C)c1cc(NCCCc2cc[nH]n2)nc(C(C)(C)C)n1 ZINC000302793182 336369388 /nfs/dbraw/zinc/36/93/88/336369388.db2.gz ZOWKYVPKGMJZKM-UHFFFAOYSA-N 0 0 315.465 3.839 10 0 DHAERN CCc1noc(CC)c1CC(=O)N[C@@H](C)c1ccccc1C ZINC000087001294 336393721 /nfs/dbraw/zinc/39/37/21/336393721.db2.gz BRURMDCWHSGPSI-ZDUSSCGKSA-N 0 0 300.402 3.528 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1nc2ccccc2nc1C ZINC000108951201 336394668 /nfs/dbraw/zinc/39/46/68/336394668.db2.gz ZFEHAVPIAKZWEH-KRWDZBQOSA-N 0 0 321.428 3.630 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1nc2ccccc2nc1C ZINC000108951203 336394720 /nfs/dbraw/zinc/39/47/20/336394720.db2.gz ZFEHAVPIAKZWEH-QGZVFWFLSA-N 0 0 321.428 3.630 10 0 DHAERN CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccco2)CCO1 ZINC000367168841 336464843 /nfs/dbraw/zinc/46/48/43/336464843.db2.gz XMEQVCKUHYVPJF-FMKPAKJESA-N 0 0 320.433 3.720 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1C ZINC000114564400 336605584 /nfs/dbraw/zinc/60/55/84/336605584.db2.gz WIXTVXJZJDEDMW-INIZCTEOSA-N 0 0 312.417 3.714 10 0 DHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000116049375 336830612 /nfs/dbraw/zinc/83/06/12/336830612.db2.gz USQRXCWWAKKDLZ-NSHDSACASA-N 0 0 311.168 3.959 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)O1 ZINC000120235116 336904628 /nfs/dbraw/zinc/90/46/28/336904628.db2.gz RRVJHJHXOJKVIG-SJCJKPOMSA-N 0 0 323.383 3.804 10 0 DHAERN CC[C@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1c(C)noc1C ZINC000122406513 337008120 /nfs/dbraw/zinc/00/81/20/337008120.db2.gz IQZWHJJOUNNGDR-MFKMUULPSA-N 0 0 305.378 3.704 10 0 DHAERN CCCOc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1OCCC ZINC000122731833 337022953 /nfs/dbraw/zinc/02/29/53/337022953.db2.gz BIDHXYOPKDDKQF-CJNGLKHVSA-N 0 0 321.417 3.770 10 0 DHAERN CCCOc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)cc1OCCC ZINC000122731609 337022966 /nfs/dbraw/zinc/02/29/66/337022966.db2.gz BIDHXYOPKDDKQF-XJKSGUPXSA-N 0 0 321.417 3.770 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C(C)C)on3)C2)n1 ZINC000123029517 337034268 /nfs/dbraw/zinc/03/42/68/337034268.db2.gz RKSHIVZRARZKIO-LBPRGKRZSA-N 0 0 319.430 3.583 10 0 DHAERN Cc1conc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000123326504 337044670 /nfs/dbraw/zinc/04/46/70/337044670.db2.gz FYUUJYKTIZIANT-MRVPVSSYSA-N 0 0 315.156 3.696 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000193838844 337079579 /nfs/dbraw/zinc/07/95/79/337079579.db2.gz OHRJASQDOPKWGL-VKJFTORMSA-N 0 0 303.446 3.735 10 0 DHAERN Cc1nc([C@H](C)NC(=O)CCC(=O)c2ccc(C)cc2)cs1 ZINC000170497250 337083262 /nfs/dbraw/zinc/08/32/62/337083262.db2.gz GXJJMFYYOKFEDY-LBPRGKRZSA-N 0 0 316.426 3.600 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)/C=C/c2ccc(Cl)s2)cn1 ZINC000171350861 337086356 /nfs/dbraw/zinc/08/63/56/337086356.db2.gz JXYUXVMGSFUQRD-VUDGCMKMSA-N 0 0 321.833 3.512 10 0 DHAERN O=C(Nc1ccc2scnc2c1)N[C@H]1COc2ccccc21 ZINC000171375082 337086425 /nfs/dbraw/zinc/08/64/25/337086425.db2.gz CMPVCTWKHITFOO-ZDUSSCGKSA-N 0 0 311.366 3.552 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)NC(CC)CC)C2)n1 ZINC000172236479 337091417 /nfs/dbraw/zinc/09/14/17/337091417.db2.gz FREXVANVJUQTJE-GFCCVEGCSA-N 0 0 309.479 3.783 10 0 DHAERN CCn1c(C)nnc1CN1CCCc2ccc(Cl)c(C)c21 ZINC000172439915 337128965 /nfs/dbraw/zinc/12/89/65/337128965.db2.gz MQCCJUSTYJVHNQ-UHFFFAOYSA-N 0 0 304.825 3.521 10 0 DHAERN COc1ccc(C)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000172593752 337130288 /nfs/dbraw/zinc/13/02/88/337130288.db2.gz SMDGKEVODLTUJW-UONOGXRCSA-N 0 0 316.401 3.583 10 0 DHAERN Cc1cccc2c(CC(=O)N[C@@H]3CCOc4ccccc43)c[nH]c21 ZINC000172708029 337130467 /nfs/dbraw/zinc/13/04/67/337130467.db2.gz JZPZLRGDRJXQKD-QGZVFWFLSA-N 0 0 320.392 3.659 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(F)c(C)c3)C2)n1 ZINC000173428630 337135228 /nfs/dbraw/zinc/13/52/28/337135228.db2.gz BZQYKHUBYUQJOZ-AWEZNQCLSA-N 0 0 318.417 3.919 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ncc(C)s3)C2)n1 ZINC000173426829 337135242 /nfs/dbraw/zinc/13/52/42/337135242.db2.gz AUTWQDKHASWDAH-NSHDSACASA-N 0 0 322.459 3.628 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 ZINC000173426757 337135267 /nfs/dbraw/zinc/13/52/67/337135267.db2.gz BUTRBJWNJFJPEA-CYBMUJFWSA-N 0 0 320.483 3.770 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)n1 ZINC000173429073 337135275 /nfs/dbraw/zinc/13/52/75/337135275.db2.gz PSLNTQVGVXQOQH-ZDUSSCGKSA-N 0 0 304.390 3.610 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCc2ccncc2)o1 ZINC000173476336 337135470 /nfs/dbraw/zinc/13/54/70/337135470.db2.gz SLAMUAYRAGPCQU-MRXNPFEDSA-N 0 0 313.401 3.674 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC(C3CC3)C3CC3)C2)n1 ZINC000173480729 337135592 /nfs/dbraw/zinc/13/55/92/337135592.db2.gz CIVWDKALXTWAPH-AWEZNQCLSA-N 0 0 319.474 3.529 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(Cl)nc3)C2)n1 ZINC000173585038 337136654 /nfs/dbraw/zinc/13/66/54/337136654.db2.gz VUXFAYWRYZZSKL-LBPRGKRZSA-N 0 0 321.833 3.520 10 0 DHAERN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628107 337137040 /nfs/dbraw/zinc/13/70/40/337137040.db2.gz SDBKHLZZWQBQTC-VXGBXAGGSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c(C)o1 ZINC000173944328 337137711 /nfs/dbraw/zinc/13/77/11/337137711.db2.gz WSAVSRDEFVVAHH-CYBMUJFWSA-N 0 0 309.369 3.573 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)on1 ZINC000173965012 337137988 /nfs/dbraw/zinc/13/79/88/337137988.db2.gz VRPBMKYJJHTKJV-LBPRGKRZSA-N 0 0 319.430 3.583 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCCCC(C)C)C2)n1 ZINC000173822353 337138446 /nfs/dbraw/zinc/13/84/46/337138446.db2.gz UFLDZYOODMQZAA-CQSZACIVSA-N 0 0 309.479 3.777 10 0 DHAERN CCO[C@@H](CCNC(=O)N1CCC[C@@H]1c1ccco1)C(C)C ZINC000174312085 337142402 /nfs/dbraw/zinc/14/24/02/337142402.db2.gz XEMATDVYOULJSH-CABCVRRESA-N 0 0 308.422 3.577 10 0 DHAERN C[C@H]1CCC[C@@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000174993925 337143927 /nfs/dbraw/zinc/14/39/27/337143927.db2.gz UBAXIHFJBOGPMH-GXTWGEPZSA-N 0 0 317.433 3.659 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000175148712 337144691 /nfs/dbraw/zinc/14/46/91/337144691.db2.gz HGHPPBXBUFPOOT-CYBMUJFWSA-N 0 0 318.808 3.541 10 0 DHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000175347544 337145408 /nfs/dbraw/zinc/14/54/08/337145408.db2.gz RAYYNQISHNJCHO-AAEUAGOBSA-N 0 0 318.442 3.958 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC000175383789 337145616 /nfs/dbraw/zinc/14/56/16/337145616.db2.gz ZDAATQICCBYOJC-OAHLLOKOSA-N 0 0 305.466 3.773 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)N(C1CC1)C1CCCC1 ZINC000175171776 337145896 /nfs/dbraw/zinc/14/58/96/337145896.db2.gz YBUUKOUWGCIJPK-INIZCTEOSA-N 0 0 300.402 3.627 10 0 DHAERN Cc1csc([C@@H]2CN(CCCc3ccccc3C)CCO2)n1 ZINC000175902164 337148749 /nfs/dbraw/zinc/14/87/49/337148749.db2.gz PQOFNEDIBIDZAY-KRWDZBQOSA-N 0 0 316.470 3.766 10 0 DHAERN Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)c(F)cc1F ZINC000175919957 337148937 /nfs/dbraw/zinc/14/89/37/337148937.db2.gz IWCKOAIUCGCTBH-HNNXBMFYSA-N 0 0 303.308 3.527 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175989991 337150006 /nfs/dbraw/zinc/15/00/06/337150006.db2.gz JHRMQEHHWGUTHO-MRXNPFEDSA-N 0 0 320.481 3.668 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)NCCCCC(C)(C)C ZINC000176136795 337150504 /nfs/dbraw/zinc/15/05/04/337150504.db2.gz LILDANUSNUHITN-INIZCTEOSA-N 0 0 320.481 3.582 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)CC3CCCCCC3)C2)c1 ZINC000176281562 337150652 /nfs/dbraw/zinc/15/06/52/337150652.db2.gz DUUGAFGKJDOQAN-KRWDZBQOSA-N 0 0 303.450 3.716 10 0 DHAERN CCn1c(C)nnc1CN(c1ccc(F)cc1)C1CCCC1 ZINC000176316646 337150812 /nfs/dbraw/zinc/15/08/12/337150812.db2.gz NMOKKLSZBFILFF-UHFFFAOYSA-N 0 0 302.397 3.695 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2)no1 ZINC000176331267 337150953 /nfs/dbraw/zinc/15/09/53/337150953.db2.gz VNCABKRFPVKNDE-ZDUSSCGKSA-N 0 0 318.352 3.701 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000176406690 337151131 /nfs/dbraw/zinc/15/11/31/337151131.db2.gz VOBRHCWUANQVNS-BEFAXECRSA-N 0 0 316.445 3.693 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176420608 337151205 /nfs/dbraw/zinc/15/12/05/337151205.db2.gz RRSGYEPCPVGUNY-IAGOWNOFSA-N 0 0 320.481 3.724 10 0 DHAERN COc1csc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000176493870 337151476 /nfs/dbraw/zinc/15/14/76/337151476.db2.gz RVAYJGJBEIQKPB-RKDXNWHRSA-N 0 0 307.337 3.608 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@H](C)CCC(C)(C)C ZINC000176264799 337151684 /nfs/dbraw/zinc/15/16/84/337151684.db2.gz HHZIYVZFIDQFQF-GDBMZVCRSA-N 0 0 320.481 3.580 10 0 DHAERN C[C@@H](N[C@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461322 337156126 /nfs/dbraw/zinc/15/61/26/337156126.db2.gz BHMKCNFXGQYMGL-PBHICJAKSA-N 0 0 310.445 3.733 10 0 DHAERN Cc1csc([C@H]2CN([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697816 337158477 /nfs/dbraw/zinc/15/84/77/337158477.db2.gz GSNZPKBNVSTNCX-HZPDHXFCSA-N 0 0 318.417 3.651 10 0 DHAERN Cc1n[nH]cc1C(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177956697 337159380 /nfs/dbraw/zinc/15/93/80/337159380.db2.gz WBESZQYPWDABIX-BXKDBHETSA-N 0 0 324.211 3.558 10 0 DHAERN O=C1CCN(Cc2ccc3ccccc3n2)c2ccc(F)cc2N1 ZINC000178729182 337164696 /nfs/dbraw/zinc/16/46/96/337164696.db2.gz XIFQAECXPCYDAZ-UHFFFAOYSA-N 0 0 321.355 3.723 10 0 DHAERN Cc1cc(C)c(CC(=O)N[C@H]2CCOc3ccccc32)c(C)c1 ZINC000179647328 337170716 /nfs/dbraw/zinc/17/07/16/337170716.db2.gz SRAATPQDVYKXFH-SFHVURJKSA-N 0 0 309.409 3.794 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H](C)CC(C)(C)C3)C2)c1 ZINC000180089629 337173705 /nfs/dbraw/zinc/17/37/05/337173705.db2.gz WIORXANXACNYIQ-BHYGNILZSA-N 0 0 317.477 3.817 10 0 DHAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180279948 337175666 /nfs/dbraw/zinc/17/56/66/337175666.db2.gz GUFKXMOFLKOAGX-HEHGZKQESA-N 0 0 319.493 3.547 10 0 DHAERN Cc1noc(C)c1[C@H](C)CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180528859 337176118 /nfs/dbraw/zinc/17/61/18/337176118.db2.gz NWKJAVLCZPKLFF-ZOWXZIJZSA-N 0 0 306.450 3.974 10 0 DHAERN CC(C)Cn1cc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cn1 ZINC000180563700 337176443 /nfs/dbraw/zinc/17/64/43/337176443.db2.gz QRKYTWVIHCSPCZ-JTQLQIEISA-N 0 0 311.838 3.745 10 0 DHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180689220 337177202 /nfs/dbraw/zinc/17/72/02/337177202.db2.gz KMMXAFSMATULNX-ZDUSSCGKSA-N 0 0 324.306 3.586 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H](C)c1cccs1 ZINC000180755975 337177721 /nfs/dbraw/zinc/17/77/21/337177721.db2.gz VWWXYLDMKQQNPG-MFKMUULPSA-N 0 0 318.446 3.696 10 0 DHAERN CC(C)Cn1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000180766620 337177786 /nfs/dbraw/zinc/17/77/86/337177786.db2.gz HJSIOCPDMPGUOE-NSHDSACASA-N 0 0 323.799 3.823 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2CCC(=O)c2ccccc2)no1 ZINC000182180343 337187082 /nfs/dbraw/zinc/18/70/82/337187082.db2.gz HPVBXHSPYGSDBY-OAHLLOKOSA-N 0 0 313.401 3.603 10 0 DHAERN COCCC1(C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CCC1 ZINC000182215526 337187372 /nfs/dbraw/zinc/18/73/72/337187372.db2.gz PJMOUYBHEVSEPO-PBHICJAKSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC(n3ccnc3)CC2)CC(C)(C)C1 ZINC000183535990 337192076 /nfs/dbraw/zinc/19/20/76/337192076.db2.gz HVWPIZJYUCIVNY-GJZGRUSLSA-N 0 0 303.450 3.509 10 0 DHAERN CO[C@@H](C)CCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000183680961 337192945 /nfs/dbraw/zinc/19/29/45/337192945.db2.gz MMKKPTCYUPYUGH-KBPBESRZSA-N 0 0 324.490 3.788 10 0 DHAERN CCc1cnccc1C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000183698499 337192968 /nfs/dbraw/zinc/19/29/68/337192968.db2.gz OFLNGTCQFKKWRV-SFHVURJKSA-N 0 0 324.424 3.636 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(C)(C)C1 ZINC000183702244 337193045 /nfs/dbraw/zinc/19/30/45/337193045.db2.gz XXUAHEGYWYSUSO-NEPJUHHUSA-N 0 0 316.401 3.532 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC000184118121 337196329 /nfs/dbraw/zinc/19/63/29/337196329.db2.gz GKNFRMJCDHUTGP-INIZCTEOSA-N 0 0 317.477 3.970 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3(CC)CCCCC3)CC2)cn1 ZINC000184118313 337196408 /nfs/dbraw/zinc/19/64/08/337196408.db2.gz VXUAKUUIGOCOEZ-UHFFFAOYSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2ccc(Br)c(C)c2)o1 ZINC000226615109 337199958 /nfs/dbraw/zinc/19/99/58/337199958.db2.gz HRBNCLXVTCCSLM-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN CC(=O)CCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000184849652 337200601 /nfs/dbraw/zinc/20/06/01/337200601.db2.gz FTYQBPSPVWRFTQ-MRXNPFEDSA-N 0 0 315.413 3.699 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(C)c(Br)c2)o1 ZINC000227556408 337249401 /nfs/dbraw/zinc/24/94/01/337249401.db2.gz VFUSVTYTJHICEK-LLVKDONJSA-N 0 0 309.207 3.905 10 0 DHAERN C[C@@H](NC(=O)[C@@H](C)Sc1cccc(O)c1)c1ccccc1 ZINC000185695561 337250246 /nfs/dbraw/zinc/25/02/46/337250246.db2.gz NOFSQJDEHWKIKQ-CHWSQXEVSA-N 0 0 301.411 3.750 10 0 DHAERN C[C@@H](Sc1cccc(O)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000185695544 337250338 /nfs/dbraw/zinc/25/03/38/337250338.db2.gz NOFSQJDEHWKIKQ-QWHCGFSZSA-N 0 0 301.411 3.750 10 0 DHAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000185905165 337251518 /nfs/dbraw/zinc/25/15/18/337251518.db2.gz SKJPFDGPUNNGNK-INIZCTEOSA-N 0 0 321.380 3.751 10 0 DHAERN CCc1nnc(CN[C@H](C)c2cc(Cl)ccc2Cl)n1C ZINC000186181324 337254149 /nfs/dbraw/zinc/25/41/49/337254149.db2.gz XPALHTCBQCKLIT-SECBINFHSA-N 0 0 313.232 3.535 10 0 DHAERN Cc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c(C)n1 ZINC000186908437 337260316 /nfs/dbraw/zinc/26/03/16/337260316.db2.gz OVLGMGCVXSLKLS-OAHLLOKOSA-N 0 0 300.406 3.542 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188626112 337274816 /nfs/dbraw/zinc/27/48/16/337274816.db2.gz JKIRUEABBZZNAA-KDOFPFPSSA-N 0 0 320.481 3.788 10 0 DHAERN C[C@@H](NCc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189189823 337277221 /nfs/dbraw/zinc/27/72/21/337277221.db2.gz ZPNAHCZEMCVGAY-SNVBAGLBSA-N 0 0 303.362 3.788 10 0 DHAERN CSC1(C(=O)N[C@@H](C)c2ccccc2Br)CC1 ZINC000189630168 337280897 /nfs/dbraw/zinc/28/08/97/337280897.db2.gz YOJBKAVKEZSQSZ-VIFPVBQESA-N 0 0 314.248 3.522 10 0 DHAERN CSC1(C(=O)N[C@H](C)c2cccc(Br)c2)CC1 ZINC000190037798 337285024 /nfs/dbraw/zinc/28/50/24/337285024.db2.gz RRLZZLOSFVZPHU-SECBINFHSA-N 0 0 314.248 3.522 10 0 DHAERN CSC1(C(=O)N[C@@H](C)c2cccc(Br)c2)CC1 ZINC000190037777 337285038 /nfs/dbraw/zinc/28/50/38/337285038.db2.gz RRLZZLOSFVZPHU-VIFPVBQESA-N 0 0 314.248 3.522 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@@H]2C)ccc1Br ZINC000190367953 337287122 /nfs/dbraw/zinc/28/71/22/337287122.db2.gz IFSJDCPJVVFBTP-ZYHUDNBSSA-N 0 0 312.207 3.511 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2c[nH]nc2C2CC2)o1 ZINC000190493660 337288148 /nfs/dbraw/zinc/28/81/48/337288148.db2.gz DLJQEORAYVIBBX-HNNXBMFYSA-N 0 0 313.401 3.810 10 0 DHAERN CCCn1ccc2cc(NC(=O)[C@H]3CCCO[C@@H]3C)ccc21 ZINC000190805512 337291001 /nfs/dbraw/zinc/29/10/01/337291001.db2.gz RSUUMUPUTRGBMV-CJNGLKHVSA-N 0 0 300.402 3.805 10 0 DHAERN CCSc1ccc([C@H](C)NC(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000191253168 337295230 /nfs/dbraw/zinc/29/52/30/337295230.db2.gz KCZVCPFMZDSXQY-ZENOOKHLSA-N 0 0 307.459 3.791 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191407302 337296746 /nfs/dbraw/zinc/29/67/46/337296746.db2.gz LZTCMLPONKYPJY-ZIAGYGMSSA-N 0 0 315.413 3.769 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000191407346 337296789 /nfs/dbraw/zinc/29/67/89/337296789.db2.gz LZTCMLPONKYPJY-KBPBESRZSA-N 0 0 315.413 3.769 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)cc1Br ZINC000191724088 337299576 /nfs/dbraw/zinc/29/95/76/337299576.db2.gz VVHIYZKUWJUAGZ-ZYHUDNBSSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)Cc2ccccc2)O1 ZINC000191944496 337301457 /nfs/dbraw/zinc/30/14/57/337301457.db2.gz VLHOFRQRNSLQDD-OCCSQVGLSA-N 0 0 315.335 3.535 10 0 DHAERN CCOC(=O)CN(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000584604694 337371373 /nfs/dbraw/zinc/37/13/73/337371373.db2.gz KHMOTPBZDGJPNQ-UHFFFAOYSA-N 0 0 303.789 3.910 10 0 DHAERN COc1ccc(C(=O)c2nc(C)cc3cc(OC)ccc32)cc1 ZINC000584605169 337371432 /nfs/dbraw/zinc/37/14/32/337371432.db2.gz BFYZEBWYJDGBQX-UHFFFAOYSA-N 0 0 307.349 3.791 10 0 DHAERN COc1cc(-c2csc(NC(C)=O)n2)cc(C(F)(F)F)c1 ZINC000584591205 337373470 /nfs/dbraw/zinc/37/34/70/337373470.db2.gz QVJLGDPLBGJJFP-UHFFFAOYSA-N 0 0 316.304 3.796 10 0 DHAERN CCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC000584592971 337373553 /nfs/dbraw/zinc/37/35/53/337373553.db2.gz SBPTZSBRVVMHPZ-UHFFFAOYSA-N 0 0 318.442 3.704 10 0 DHAERN O=C(Oc1ccccc1)N1CC[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000584620850 337374801 /nfs/dbraw/zinc/37/48/01/337374801.db2.gz GJZSCQYYDVDQNI-WBVHZDCISA-N 0 0 315.344 3.523 10 0 DHAERN O=C(Oc1ccccc1)N1CCC(=O)C[C@H]1c1ccc(F)cc1 ZINC000584620830 337374818 /nfs/dbraw/zinc/37/48/18/337374818.db2.gz AYFGDURKRAHIEO-KRWDZBQOSA-N 0 0 313.328 3.731 10 0 DHAERN O=c1cc(C(F)(F)F)ccn1-c1ccc(Br)cc1 ZINC000584622178 337375131 /nfs/dbraw/zinc/37/51/31/337375131.db2.gz YYXYZSLLERSTPL-UHFFFAOYSA-N 0 0 318.092 3.619 10 0 DHAERN CC[C@@H](c1ccccn1)[C@](C)(O)c1ccc(OC)c(OC)c1 ZINC000584629680 337376574 /nfs/dbraw/zinc/37/65/74/337376574.db2.gz OGLZDUOCSLXGSL-KBXCAEBGSA-N 0 0 301.386 3.500 10 0 DHAERN O=C(Oc1cncc(OC(=O)c2ccccc2)c1)c1ccccc1 ZINC000584631453 337376977 /nfs/dbraw/zinc/37/69/77/337376977.db2.gz ZTMXGXXGJVBXIW-UHFFFAOYSA-N 0 0 319.316 3.520 10 0 DHAERN CC(C)Cc1ccc([C@H](C)C(=O)N[S@](=O)C(C)(C)C)cc1 ZINC000584654420 337377788 /nfs/dbraw/zinc/37/77/88/337377788.db2.gz ZZRLYSLISDWONK-YEJXKQKISA-N 0 0 309.475 3.567 10 0 DHAERN CC(C)N(N)CC[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000584637528 337379539 /nfs/dbraw/zinc/37/95/39/337379539.db2.gz XGVRBNVHVRLOTI-GFCCVEGCSA-N 0 0 306.841 3.663 10 0 DHAERN Cc1ncnc(C)c1-c1ccc(Oc2nccn3nccc23)cc1 ZINC000584648909 337380512 /nfs/dbraw/zinc/38/05/12/337380512.db2.gz UDBMFPGEDFJFMH-UHFFFAOYSA-N 0 0 317.352 3.595 10 0 DHAERN CN(C(=O)Nc1ccc(Cl)cc1)c1nc2ccccc2[nH]1 ZINC000584649995 337380619 /nfs/dbraw/zinc/38/06/19/337380619.db2.gz POFMXUYVPXFEPA-UHFFFAOYSA-N 0 0 300.749 3.885 10 0 DHAERN O=C(c1ccoc1Br)N1CCC[C@H]1c1ccco1 ZINC000193591086 337385148 /nfs/dbraw/zinc/38/51/48/337385148.db2.gz VSCONKAFTLUVRN-JTQLQIEISA-N 0 0 310.147 3.612 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000028413464 337388258 /nfs/dbraw/zinc/38/82/58/337388258.db2.gz NAXBHHGGSYJGBS-DOMZBBRYSA-N 0 0 316.426 3.502 10 0 DHAERN Cc1csc([C@H]2CCCN(c3ccnc(C(C)C)n3)C2)n1 ZINC000110411055 337389078 /nfs/dbraw/zinc/38/90/78/337389078.db2.gz VWECEZAATDOTPE-ZDUSSCGKSA-N 0 0 302.447 3.749 10 0 DHAERN O=C(CCc1cc(F)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116039233 337392114 /nfs/dbraw/zinc/39/21/14/337392114.db2.gz QIFGHOGUSVWBFM-OAHLLOKOSA-N 0 0 305.324 3.854 10 0 DHAERN O=C(CCC(=O)N1CCC[C@H]1c1ccco1)c1cccs1 ZINC000116039923 337392198 /nfs/dbraw/zinc/39/21/98/337392198.db2.gz IYVKWCNXDKIDNS-LBPRGKRZSA-N 0 0 303.383 3.668 10 0 DHAERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@@H]1c1ccco1 ZINC000116045701 337392235 /nfs/dbraw/zinc/39/22/35/337392235.db2.gz WXSRWBDIPHLAQK-MRXNPFEDSA-N 0 0 312.344 3.806 10 0 DHAERN CC(C)(C)c1nc(CC(=O)N2CCC[C@H]2c2ccco2)cs1 ZINC000116040162 337392266 /nfs/dbraw/zinc/39/22/66/337392266.db2.gz LDEAONAYJZYSRJ-ZDUSSCGKSA-N 0 0 318.442 3.940 10 0 DHAERN CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116121772 337392309 /nfs/dbraw/zinc/39/23/09/337392309.db2.gz QGJWATQOQYIUIR-IRXDYDNUSA-N 0 0 317.477 3.733 10 0 DHAERN CCC[C@H](CC1CCCC1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116111355 337392344 /nfs/dbraw/zinc/39/23/44/337392344.db2.gz SHVUYIUNFOYDFL-SJORKVTESA-N 0 0 317.477 3.733 10 0 DHAERN Cc1[nH]c(=S)sc1CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116212662 337392483 /nfs/dbraw/zinc/39/24/83/337392483.db2.gz WVWVUEODVNLLJL-JTQLQIEISA-N 0 0 308.428 3.613 10 0 DHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116211896 337392559 /nfs/dbraw/zinc/39/25/59/337392559.db2.gz KLKODRQQHQFWEF-QGZVFWFLSA-N 0 0 308.381 3.988 10 0 DHAERN Cc1csc([C@H]2CCCN(c3cc(C)nc(C4CC4)n3)C2)n1 ZINC000116260473 337392567 /nfs/dbraw/zinc/39/25/67/337392567.db2.gz MYDKYAYVXKOBRN-AWEZNQCLSA-N 0 0 314.458 3.811 10 0 DHAERN Fc1ccc(-c2noc(CN3CCC[C@@H]3c3ccco3)n2)cc1 ZINC000116293300 337392573 /nfs/dbraw/zinc/39/25/73/337392573.db2.gz OHQVZCJAAUTMMF-CQSZACIVSA-N 0 0 313.332 3.806 10 0 DHAERN C[C@@H](Cc1ccccc1F)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116423747 337392701 /nfs/dbraw/zinc/39/27/01/337392701.db2.gz MBMZAKRRUQXMOG-BBRMVZONSA-N 0 0 316.376 3.896 10 0 DHAERN O=C(NCCCOC1CCCCC1)N1CCC[C@@H]1c1ccco1 ZINC000116414799 337392738 /nfs/dbraw/zinc/39/27/38/337392738.db2.gz UFXDMEGLEQFDQT-MRXNPFEDSA-N 0 0 320.433 3.866 10 0 DHAERN CC(C)Cc1nnc(NC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116477445 337392750 /nfs/dbraw/zinc/39/27/50/337392750.db2.gz DNABADYUOUAABO-NSHDSACASA-N 0 0 320.418 3.699 10 0 DHAERN O=C(c1cccc(Cl)c1)N1CCC(c2nccs2)CC1 ZINC000040623457 337398690 /nfs/dbraw/zinc/39/86/90/337398690.db2.gz OOGAZEJHVPNUJA-UHFFFAOYSA-N 0 0 306.818 3.816 10 0 DHAERN CCCCSCCC(=O)N1CCC(c2cnn(CC)c2)CC1 ZINC000123507453 337399650 /nfs/dbraw/zinc/39/96/50/337399650.db2.gz QDYCBXWDJIZNKG-UHFFFAOYSA-N 0 0 323.506 3.532 10 0 DHAERN C[C@@H](Cc1ccccc1)C(=O)N1CCC(c2nccs2)CC1 ZINC000041313154 337401467 /nfs/dbraw/zinc/40/14/67/337401467.db2.gz OUSKAHYJLOMQSU-AWEZNQCLSA-N 0 0 314.454 3.728 10 0 DHAERN C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)[C@@H]1CCCO1 ZINC000042326215 337406582 /nfs/dbraw/zinc/40/65/82/337406582.db2.gz XNRGXYJAGQXHQM-KUQKPQIMSA-N 0 0 316.445 3.580 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000043420879 337411359 /nfs/dbraw/zinc/41/13/59/337411359.db2.gz RMNCYEMQWXCPGZ-OAHLLOKOSA-N 0 0 300.333 3.779 10 0 DHAERN O=C(NCc1cccs1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000125427211 337411751 /nfs/dbraw/zinc/41/17/51/337411751.db2.gz ZACFTHGCBNCRQZ-OAHLLOKOSA-N 0 0 304.390 3.764 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)c3ccccc3)C2)n1 ZINC000126815667 337417936 /nfs/dbraw/zinc/41/79/36/337417936.db2.gz URPXJLIIMROSNW-GDBMZVCRSA-N 0 0 314.454 3.961 10 0 DHAERN Cn1cc(C(=O)N[C@@H]2CCCc3ccccc32)c(C(C)(C)C)n1 ZINC000126825067 337417981 /nfs/dbraw/zinc/41/79/81/337417981.db2.gz ZTNOVIXLEGQFCI-MRXNPFEDSA-N 0 0 311.429 3.525 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(C)n2C)o1 ZINC000129426732 337429521 /nfs/dbraw/zinc/42/95/21/337429521.db2.gz IAQBUZMKJKEYHF-OAHLLOKOSA-N 0 0 300.402 3.856 10 0 DHAERN C[C@]1(C(=O)Nc2cccc(-c3cnco3)c2)CC1(Cl)Cl ZINC000048241972 337433022 /nfs/dbraw/zinc/43/30/22/337433022.db2.gz ZCBNUPYDUOXVCS-CYBMUJFWSA-N 0 0 311.168 3.864 10 0 DHAERN CCCc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936309 337435331 /nfs/dbraw/zinc/43/53/31/337435331.db2.gz MRIMTPRUEFZFRA-GJZGRUSLSA-N 0 0 312.461 3.979 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1cnc(C2CCCC2)s1 ZINC000131494032 337437967 /nfs/dbraw/zinc/43/79/67/337437967.db2.gz BVKNDFSZYADCTF-GFCCVEGCSA-N 0 0 324.490 3.963 10 0 DHAERN C[C@@H](CCC(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000133664125 337445978 /nfs/dbraw/zinc/44/59/78/337445978.db2.gz DIFAUPNNACTEGW-HNNXBMFYSA-N 0 0 311.429 3.700 10 0 DHAERN CC[C@H](CC(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000135721809 337452902 /nfs/dbraw/zinc/45/29/02/337452902.db2.gz ZDMJQBUETRHONP-APWZRJJASA-N 0 0 324.424 3.645 10 0 DHAERN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)c(Cl)c1 ZINC000055743312 337455634 /nfs/dbraw/zinc/45/56/34/337455634.db2.gz CWPGEUCISZQOBE-VIFPVBQESA-N 0 0 317.751 3.846 10 0 DHAERN Cc1ccccc1NC(=O)CN1CCCC[C@@H]1c1nccs1 ZINC000195368285 337466080 /nfs/dbraw/zinc/46/60/80/337466080.db2.gz IFTOGEDUNZCDBQ-OAHLLOKOSA-N 0 0 315.442 3.617 10 0 DHAERN Cc1cccc2nc(CN3CCCC[C@@H]3c3nccs3)cn21 ZINC000195359504 337466191 /nfs/dbraw/zinc/46/61/91/337466191.db2.gz GHHDPZNENVDAGX-OAHLLOKOSA-N 0 0 312.442 3.826 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)O1 ZINC000245957694 337499851 /nfs/dbraw/zinc/49/98/51/337499851.db2.gz CFLMTLZHCYRZBO-CDHQVMDDSA-N 0 0 321.420 3.728 10 0 DHAERN C[C@H](CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000246379822 337540450 /nfs/dbraw/zinc/54/04/50/337540450.db2.gz ZJAOBGJCWHHHBV-KPFFTGBYSA-N 0 0 315.457 3.724 10 0 DHAERN O=C(CCCOc1ccccc1)N1CCC[C@@H]1c1nccs1 ZINC000074908255 337552812 /nfs/dbraw/zinc/55/28/12/337552812.db2.gz KWTTVHIVHFUZBR-OAHLLOKOSA-N 0 0 316.426 3.666 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N[C@H](CO)c2ccccc2)c2ccccc21 ZINC000246619515 337554070 /nfs/dbraw/zinc/55/40/70/337554070.db2.gz QJJBLJZHBYOEDF-NIKGAXFTSA-N 0 0 324.424 3.658 10 0 DHAERN C[C@@H]1CN(Cc2ncc(-c3ccccc3Cl)o2)C[C@@H](C)O1 ZINC000075589572 337556633 /nfs/dbraw/zinc/55/66/33/337556633.db2.gz NPBWISHHUXPCFH-VXGBXAGGSA-N 0 0 306.793 3.604 10 0 DHAERN COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000247165071 337558216 /nfs/dbraw/zinc/55/82/16/337558216.db2.gz JEKWCJHUHZAEOA-BBWFWOEESA-N 0 0 311.381 3.755 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC(C)(C)C1 ZINC000248582166 337565832 /nfs/dbraw/zinc/56/58/32/337565832.db2.gz QGISDGZHQQIALX-KFWWJZLASA-N 0 0 303.450 3.926 10 0 DHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248685891 337566648 /nfs/dbraw/zinc/56/66/48/337566648.db2.gz UGTNQODDPKYCLB-BZUAXINKSA-N 0 0 319.445 3.911 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@H]2CCC[C@@H]2C)no1 ZINC000249019093 337569283 /nfs/dbraw/zinc/56/92/83/337569283.db2.gz QFZANAYUVZPUNF-MJBXVCDLSA-N 0 0 305.422 3.683 10 0 DHAERN COc1ccc2[nH]cc(C3=CCN(CC(F)(F)F)CC3)c2c1 ZINC000077179101 337576314 /nfs/dbraw/zinc/57/63/14/337576314.db2.gz CTVDRYFHEBPMMJ-UHFFFAOYSA-N 0 0 310.319 3.828 10 0 DHAERN C[C@H]1COC[C@H](C)N1Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000077365452 337579123 /nfs/dbraw/zinc/57/91/23/337579123.db2.gz SNPZSRVOOOOOEO-RYUDHWBXSA-N 0 0 306.793 3.604 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000078187624 337592180 /nfs/dbraw/zinc/59/21/80/337592180.db2.gz DZDPGRYITVQZLH-CZUORRHYSA-N 0 0 313.372 3.853 10 0 DHAERN CCC[C@@H](NC(=O)[C@H](C)c1ccccc1F)C(=O)OC(C)(C)C ZINC000161556179 337592721 /nfs/dbraw/zinc/59/27/21/337592721.db2.gz FHTSCMQQSKPMAU-IUODEOHRSA-N 0 0 323.408 3.556 10 0 DHAERN CSc1ccc([C@H](C)[NH2+]C[C@H](CC(C)C)C(=O)[O-])cc1F ZINC000263024879 337623212 /nfs/dbraw/zinc/62/32/12/337623212.db2.gz FWPSSCCLHWQYNZ-AAEUAGOBSA-N 0 0 313.438 3.945 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2SCCc3sccc32)o1 ZINC000079547616 337623774 /nfs/dbraw/zinc/62/37/74/337623774.db2.gz SLDRPRVUOYHEFS-QMTHXVAHSA-N 0 0 307.440 3.857 10 0 DHAERN CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263105073 337624486 /nfs/dbraw/zinc/62/44/86/337624486.db2.gz XPPJYVFPUZAMGZ-UXLLHSPISA-N 0 0 307.409 3.798 10 0 DHAERN CCC(CC)(C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263110957 337624607 /nfs/dbraw/zinc/62/46/07/337624607.db2.gz YQPZKKFADOKYLQ-HOCLYGCPSA-N 0 0 307.409 3.942 10 0 DHAERN COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC000263382954 337627261 /nfs/dbraw/zinc/62/72/61/337627261.db2.gz CEAHYWPHKPVBCR-SFHVURJKSA-N 0 0 311.381 3.561 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000162532928 337635081 /nfs/dbraw/zinc/63/50/81/337635081.db2.gz SVHHPLXKAKSBRK-ZBFHGGJFSA-N 0 0 313.388 3.575 10 0 DHAERN O=C(Nc1cncc(Br)c1)[C@@H]1CCCCC1(F)F ZINC000327726015 337746093 /nfs/dbraw/zinc/74/60/93/337746093.db2.gz FVQZVUIINRNWSP-JTQLQIEISA-N 0 0 319.149 3.608 10 0 DHAERN COC(=O)[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl ZINC000105979906 337810721 /nfs/dbraw/zinc/81/07/21/337810721.db2.gz NTGCYODZNHZDLZ-CYBMUJFWSA-N 0 0 302.201 3.521 10 0 DHAERN CCCc1ccccc1NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C ZINC000055306027 337846823 /nfs/dbraw/zinc/84/68/23/337846823.db2.gz FTBABJCWLUDJPR-SFHVURJKSA-N 0 0 318.461 3.765 10 0 DHAERN O=C(Cc1ccc(F)c(F)c1)N1CC=C(c2cccs2)CC1 ZINC000087304678 337857301 /nfs/dbraw/zinc/85/73/01/337857301.db2.gz LJRNDOKVWKXUBY-UHFFFAOYSA-N 0 0 319.376 3.885 10 0 DHAERN COC(=O)c1sccc1CN1CCCC[C@@H]1c1nccs1 ZINC000119599773 337862200 /nfs/dbraw/zinc/86/22/00/337862200.db2.gz VUKZSPARRDWWIQ-GFCCVEGCSA-N 0 0 322.455 3.718 10 0 DHAERN C[C@@H](NC(=O)CCCc1csc2ccccc12)[C@H]1CCCO1 ZINC000119750237 337865073 /nfs/dbraw/zinc/86/50/73/337865073.db2.gz BTGLAUVCDDDVLR-CZUORRHYSA-N 0 0 317.454 3.908 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@@H]1c1ccco1 ZINC000089246471 337867904 /nfs/dbraw/zinc/86/79/04/337867904.db2.gz MQKWHZMHCLSRHH-IAGOWNOFSA-N 0 0 313.397 3.847 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000091095696 337889799 /nfs/dbraw/zinc/88/97/99/337889799.db2.gz WUZOOEWRDDSWMR-MOPGFXCFSA-N 0 0 324.424 3.649 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)CC2CCOCC2)cc1 ZINC000121621928 337896066 /nfs/dbraw/zinc/89/60/66/337896066.db2.gz WVDHRQHFWIMDCS-OALUTQOASA-N 0 0 315.457 3.799 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000093286229 337914740 /nfs/dbraw/zinc/91/47/40/337914740.db2.gz LAYOPIIEVZAXTJ-AWEZNQCLSA-N 0 0 322.424 3.561 10 0 DHAERN CCn1ccnc1CSCc1csc(-c2ccccn2)n1 ZINC000083633035 337995820 /nfs/dbraw/zinc/99/58/20/337995820.db2.gz HIMCLQIXNVWNFU-UHFFFAOYSA-N 0 0 316.455 3.855 10 0 DHAERN Cc1cc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1Br ZINC000085628840 338010871 /nfs/dbraw/zinc/01/08/71/338010871.db2.gz FDHRPARELYEWII-UBHSHLNASA-N 0 0 310.235 3.983 10 0 DHAERN C[C@@H](Oc1ccccc1NCc1ncnn1C)c1ccccc1 ZINC000086208634 338013579 /nfs/dbraw/zinc/01/35/79/338013579.db2.gz KVUTVMCHVBWBEI-CQSZACIVSA-N 0 0 308.385 3.567 10 0 DHAERN C[C@H]([NH2+]Cc1ccc(Cl)cc1Br)[C@@H]1CCCO1 ZINC000149726626 338120100 /nfs/dbraw/zinc/12/01/00/338120100.db2.gz IXGIVWFLCTYYJC-ZANVPECISA-N 0 0 318.642 3.760 10 0 DHAERN CC[C@H](NC(=O)c1occc1Br)c1ccccc1 ZINC000433872848 338204099 /nfs/dbraw/zinc/20/40/99/338204099.db2.gz NLRODXDZYNJIAM-LBPRGKRZSA-N 0 0 308.175 3.923 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cnn(-c3ccccc3)c2C)o1 ZINC000156741551 338382645 /nfs/dbraw/zinc/38/26/45/338382645.db2.gz SIVXGGOBMSFZOB-CYBMUJFWSA-N 0 0 324.384 3.965 10 0 DHAERN C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)c2ccccc21 ZINC000162342215 338600567 /nfs/dbraw/zinc/60/05/67/338600567.db2.gz MLGAZCBFFFQSJD-RDTXWAMCSA-N 0 0 315.438 3.745 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCC2CCOCC2)cc1 ZINC000194808287 338759755 /nfs/dbraw/zinc/75/97/55/338759755.db2.gz UYPCOWLBDONUKB-AWEZNQCLSA-N 0 0 304.434 3.597 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Cl)nc1Cl ZINC000195095742 338852115 /nfs/dbraw/zinc/85/21/15/338852115.db2.gz GSOHDVZHLYQCIX-LLVKDONJSA-N 0 0 323.179 3.642 10 0 DHAERN CCNc1ccc(Cl)cc1C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000195170953 338858052 /nfs/dbraw/zinc/85/80/52/338858052.db2.gz KQIFMUZJOZXQCU-HOTGVXAUSA-N 0 0 322.836 3.555 10 0 DHAERN COc1ccc2c(c1)N(C(=O)c1ccc3cc[nH]c3c1)C[C@H](C)O2 ZINC000172715825 340338301 /nfs/dbraw/zinc/33/83/01/340338301.db2.gz DIQMEMACQACAFT-LBPRGKRZSA-N 0 0 322.364 3.604 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)CCCc1cccs1 ZINC000172962588 340350337 /nfs/dbraw/zinc/35/03/37/340350337.db2.gz NKAZBARDJSBIDN-HNNXBMFYSA-N 0 0 317.454 3.792 10 0 DHAERN C[C@H](NC(=O)NCC(F)F)c1c(Cl)ccc(F)c1Cl ZINC000174174807 340383613 /nfs/dbraw/zinc/38/36/13/340383613.db2.gz JOWIOSZBTWHZNB-YFKPBYRVSA-N 0 0 315.122 3.758 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000174376654 340387176 /nfs/dbraw/zinc/38/71/76/340387176.db2.gz CTJFQOOZWFOVTA-LBPRGKRZSA-N 0 0 320.339 3.692 10 0 DHAERN CCSCC[C@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000174534162 340391160 /nfs/dbraw/zinc/39/11/60/340391160.db2.gz AMPVNTGJKISYBG-WDEREUQCSA-N 0 0 316.417 3.857 10 0 DHAERN C[C@@H](NC(=O)NCCC1CC1)c1cccc(Br)c1 ZINC000174899647 340398722 /nfs/dbraw/zinc/39/87/22/340398722.db2.gz HCIFYSMWBRPFDH-SNVBAGLBSA-N 0 0 311.223 3.609 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc2ccccc2s1 ZINC000175724470 340418201 /nfs/dbraw/zinc/41/82/01/340418201.db2.gz HIWSHZCOYWUHIG-LLVKDONJSA-N 0 0 319.426 3.704 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)NCc2ccoc2)cc1 ZINC000176869486 340433154 /nfs/dbraw/zinc/43/31/54/340433154.db2.gz FODSMKPCRAZZRG-CQSZACIVSA-N 0 0 316.401 3.875 10 0 DHAERN C[C@H](NC(=O)[C@H](C)Oc1cccc(F)c1F)c1ccccc1 ZINC000178164820 340447301 /nfs/dbraw/zinc/44/73/01/340447301.db2.gz VKRGAEHUURJKAP-RYUDHWBXSA-N 0 0 305.324 3.610 10 0 DHAERN CCc1noc(C)c1NC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000184123807 340490929 /nfs/dbraw/zinc/49/09/29/340490929.db2.gz VMARDBXIGAPUAL-ZBEGNZNMSA-N 0 0 313.401 3.909 10 0 DHAERN O=C(CCc1cccc2c1OCO2)N[C@@H]1CCCc2ccccc21 ZINC000184641798 340494689 /nfs/dbraw/zinc/49/46/89/340494689.db2.gz GNQVUFSKAXRYGL-QGZVFWFLSA-N 0 0 323.392 3.542 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1CCCc1ccccc1 ZINC000189528663 340537248 /nfs/dbraw/zinc/53/72/48/340537248.db2.gz FHYMAFOSNICNID-YTQUADARSA-N 0 0 315.457 3.815 10 0 DHAERN Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)c1 ZINC000189937223 340541244 /nfs/dbraw/zinc/54/12/44/340541244.db2.gz JPBUJVAJPUWDCD-QFBILLFUSA-N 0 0 313.441 3.734 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)ccc1OCC1CCC1 ZINC000189944079 340541257 /nfs/dbraw/zinc/54/12/57/340541257.db2.gz WBLMVMYORNEOKD-LLVKDONJSA-N 0 0 311.809 3.740 10 0 DHAERN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191697390 340557704 /nfs/dbraw/zinc/55/77/04/340557704.db2.gz NDINTUMEJQSDPF-XJKSGUPXSA-N 0 0 309.837 3.892 10 0 DHAERN Cc1cc(S(=O)(=O)N[C@H](C)c2cccs2)sc1Cl ZINC000191841709 340559574 /nfs/dbraw/zinc/55/95/74/340559574.db2.gz MXMDVEZKELZATH-MRVPVSSYSA-N 0 0 321.876 3.811 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1cccc(Cl)c1Cl ZINC000191901747 340560130 /nfs/dbraw/zinc/56/01/30/340560130.db2.gz VPKUZYLROWVYJV-HOSYDEDBSA-N 0 0 316.228 3.986 10 0 DHAERN CSc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000193647986 340580810 /nfs/dbraw/zinc/58/08/10/340580810.db2.gz CKJJWHMYTRZQPG-STQMWFEESA-N 0 0 318.442 3.988 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)N[C@H](C)c2ccc(C)c(C)c2)o1 ZINC000193647382 340580894 /nfs/dbraw/zinc/58/08/94/340580894.db2.gz MAECIYRJHHZTBU-CVEARBPZSA-N 0 0 314.429 3.733 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1sccc1Cl)C2 ZINC000194390526 340591954 /nfs/dbraw/zinc/59/19/54/340591954.db2.gz VFEOXMIWHVMZNR-UHFFFAOYSA-N 0 0 309.866 3.817 10 0 DHAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)c1ccccc1Cl ZINC000194705505 340594965 /nfs/dbraw/zinc/59/49/65/340594965.db2.gz QVFRNEYHPGTSIL-NHYWBVRUSA-N 0 0 316.788 3.834 10 0 DHAERN Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1COc2ccccc21 ZINC000194867652 340596680 /nfs/dbraw/zinc/59/66/80/340596680.db2.gz UGGVBUFFHKZYTQ-KRWDZBQOSA-N 0 0 322.339 3.546 10 0 DHAERN O=C(CCSc1ccccc1F)N[C@H]1COc2ccccc21 ZINC000194867431 340596702 /nfs/dbraw/zinc/59/67/02/340596702.db2.gz JJPIZUKJWWFRRF-AWEZNQCLSA-N 0 0 317.385 3.558 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cc(Br)cn1C(C)C ZINC000231691408 340625269 /nfs/dbraw/zinc/62/52/69/340625269.db2.gz OJFZBTBXDVLOGB-JQWIXIFHSA-N 0 0 313.239 3.750 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ccc(F)c(Cl)c1 ZINC000123355494 340748976 /nfs/dbraw/zinc/74/89/76/340748976.db2.gz YAHCWXKVLGJANP-MRVPVSSYSA-N 0 0 311.719 3.896 10 0 DHAERN CCCOc1ccc(NC(=O)c2ccccc2N)cc1Cl ZINC000037791197 340787056 /nfs/dbraw/zinc/78/70/56/340787056.db2.gz OWRCPPYOQCJPGD-UHFFFAOYSA-N 0 0 304.777 3.963 10 0 DHAERN Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)ncc1Br ZINC000126722049 340830938 /nfs/dbraw/zinc/83/09/38/340830938.db2.gz ZPQJWNNDIKCMQS-SECBINFHSA-N 0 0 323.156 3.931 10 0 DHAERN CCOc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000126738721 340831454 /nfs/dbraw/zinc/83/14/54/340831454.db2.gz HANZPERYCUYRBZ-LSDHHAIUSA-N 0 0 313.397 3.730 10 0 DHAERN CCCC[C@@H](CCC)CNC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000128078871 340860323 /nfs/dbraw/zinc/86/03/23/340860323.db2.gz JAUFLHJKGNOHNX-WBVHZDCISA-N 0 0 320.481 3.873 10 0 DHAERN COc1cccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128597836 340899541 /nfs/dbraw/zinc/89/95/41/340899541.db2.gz TXIJKXJFTHJCKJ-OAHLLOKOSA-N 0 0 323.314 3.599 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000128678301 340905478 /nfs/dbraw/zinc/90/54/78/340905478.db2.gz YUIOMBVHOJSFFT-VJANTYMQSA-N 0 0 315.457 3.533 10 0 DHAERN Cn1ncc(Cl)c1CNc1nc2ccc(Cl)cc2s1 ZINC000128766171 340912521 /nfs/dbraw/zinc/91/25/21/340912521.db2.gz RWXDLLZVCJPSPF-UHFFFAOYSA-N 0 0 313.213 3.949 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000130410510 341021034 /nfs/dbraw/zinc/02/10/34/341021034.db2.gz WNXDDRFDVQJOIV-RYUDHWBXSA-N 0 0 319.788 3.849 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(c1ccccc1)c1ccccc1 ZINC000130481526 341022697 /nfs/dbraw/zinc/02/26/97/341022697.db2.gz MJBOODXHOUIXGV-JTDSTZFVSA-N 0 0 323.436 3.891 10 0 DHAERN Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000130775690 341042538 /nfs/dbraw/zinc/04/25/38/341042538.db2.gz JAHNXLPAMFUESM-PWSUYJOCSA-N 0 0 312.207 3.572 10 0 DHAERN C[C@H](Cc1ccccc1Cl)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000131388602 341083756 /nfs/dbraw/zinc/08/37/56/341083756.db2.gz VWKZGYIETNEUPJ-COXVUDFISA-N 0 0 321.848 3.689 10 0 DHAERN C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000132394044 341121834 /nfs/dbraw/zinc/12/18/34/341121834.db2.gz DQJPFXBLSFWMAO-PMPSAXMXSA-N 0 0 311.429 3.876 10 0 DHAERN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000132663755 341137857 /nfs/dbraw/zinc/13/78/57/341137857.db2.gz GAYSQZMKMJECQM-LSDHHAIUSA-N 0 0 310.401 3.627 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133208821 341162671 /nfs/dbraw/zinc/16/26/71/341162671.db2.gz VDKNNPYEZAYKEM-JKSUJKDBSA-N 0 0 320.396 3.595 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000077669970 341228515 /nfs/dbraw/zinc/22/85/15/341228515.db2.gz TYULCNUQMKHRMK-UWVGGRQHSA-N 0 0 316.829 3.687 10 0 DHAERN CCN(CC)C(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135129695 341231951 /nfs/dbraw/zinc/23/19/51/341231951.db2.gz TZGLNAYQPXMQJU-SECBINFHSA-N 0 0 321.223 3.652 10 0 DHAERN CCCCOCCCNC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000078430924 341242118 /nfs/dbraw/zinc/24/21/18/341242118.db2.gz FKCTYWGUSRZREB-LLVKDONJSA-N 0 0 318.870 3.969 10 0 DHAERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000078491053 341242979 /nfs/dbraw/zinc/24/29/79/341242979.db2.gz QFOKYDSTRPPBTA-CHWSQXEVSA-N 0 0 315.335 3.936 10 0 DHAERN CCCCCc1ccc(NC(=O)N[C@@H](CO)CC(C)C)cc1 ZINC000078601185 341244785 /nfs/dbraw/zinc/24/47/85/341244785.db2.gz LZCOATNDAWFSGC-QGZVFWFLSA-N 0 0 306.450 3.948 10 0 DHAERN C[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1 ZINC000136702437 341265508 /nfs/dbraw/zinc/26/55/08/341265508.db2.gz VCCIZLZTAJHYKI-YVEFUNNKSA-N 0 0 315.800 3.831 10 0 DHAERN C[C@@H](CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000081451179 341291213 /nfs/dbraw/zinc/29/12/13/341291213.db2.gz PJKCXDSWZRUBBV-STQMWFEESA-N 0 0 323.408 3.508 10 0 DHAERN CCCCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000081609664 341299299 /nfs/dbraw/zinc/29/92/99/341299299.db2.gz XXRRCIBKYUXZOQ-HUUCEWRRSA-N 0 0 320.433 3.538 10 0 DHAERN C[C@@H](C(=O)N[C@H]1CC[C@@H](C)c2ccccc21)C1CCOCC1 ZINC000245875283 341317038 /nfs/dbraw/zinc/31/70/38/341317038.db2.gz GZDMLNDZSACCHU-LBTNJELSSA-N 0 0 301.430 3.804 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)[C@H]2CCSC2)cc1 ZINC000245894897 341317515 /nfs/dbraw/zinc/31/75/15/341317515.db2.gz KCGBDACKKLLANV-YESZJQIVSA-N 0 0 303.471 3.877 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000246214501 341334202 /nfs/dbraw/zinc/33/42/02/341334202.db2.gz OFANFPJEIWIGSO-AYOQOUSVSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000246367631 341345149 /nfs/dbraw/zinc/34/51/49/341345149.db2.gz LLRYJDOZOXVEBS-UHTWSYAYSA-N 0 0 306.372 3.985 10 0 DHAERN CC(C)[C@H](C(=O)N[C@@H](C)[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000246376292 341345665 /nfs/dbraw/zinc/34/56/65/341345665.db2.gz BBQIELCPYZIMBO-MAZHCROVSA-N 0 0 309.837 3.763 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)[C@@H]1COc2ccccc21 ZINC000246416831 341348123 /nfs/dbraw/zinc/34/81/23/341348123.db2.gz IEFATXBVNKTXHJ-RUGDWHBFSA-N 0 0 313.441 3.884 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000246746315 341356684 /nfs/dbraw/zinc/35/66/84/341356684.db2.gz JIYJOYQZLRVEQT-VYHVBIQSSA-N 0 0 305.368 3.859 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCC[C@@H]2CO)cc1 ZINC000246778754 341356903 /nfs/dbraw/zinc/35/69/03/341356903.db2.gz QSUDPCLLOUUHKH-XWSJACJDSA-N 0 0 315.457 3.581 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000246778687 341356999 /nfs/dbraw/zinc/35/69/99/341356999.db2.gz QSUDPCLLOUUHKH-CADBVGFASA-N 0 0 315.457 3.581 10 0 DHAERN CCC[C@H](CCO)CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000247179279 341361910 /nfs/dbraw/zinc/36/19/10/341361910.db2.gz ZRMQZRWVMUGQNH-AYOQOUSVSA-N 0 0 317.473 3.828 10 0 DHAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)c2cccs2)c1 ZINC000247605937 341368018 /nfs/dbraw/zinc/36/80/18/341368018.db2.gz LQZWQDJTBBPKTM-BYCMXARLSA-N 0 0 301.411 3.738 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248160607 341374238 /nfs/dbraw/zinc/37/42/38/341374238.db2.gz SAXGSOICGIIEGT-XYJFISCASA-N 0 0 310.482 3.682 10 0 DHAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000248533405 341379223 /nfs/dbraw/zinc/37/92/23/341379223.db2.gz INIODMOOBKENDK-ZOBUZTSGSA-N 0 0 320.433 3.720 10 0 DHAERN CC(C)[C@H](SC[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccccc1 ZINC000249080187 341393280 /nfs/dbraw/zinc/39/32/80/341393280.db2.gz ROAOMCJJGIZQNC-UAGQMJEPSA-N 0 0 321.486 3.801 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1sccc1-n1cccc1 ZINC000143016255 341399953 /nfs/dbraw/zinc/39/99/53/341399953.db2.gz SYRAYRMHJGHNBL-CQSZACIVSA-N 0 0 324.405 3.792 10 0 DHAERN O=C(CSCC(F)(F)F)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153182061 341528490 /nfs/dbraw/zinc/52/84/90/341528490.db2.gz OFLHZKUNZAOGGA-GFCCVEGCSA-N 0 0 321.339 3.615 10 0 DHAERN O=C(CC[C@H]1CCCCO1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153225340 341530689 /nfs/dbraw/zinc/53/06/89/341530689.db2.gz MQCHJKXSRZAKAD-NVXWUHKLSA-N 0 0 305.393 3.669 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@H]2CCCc3cc(F)ccc32)s1 ZINC000153313197 341534695 /nfs/dbraw/zinc/53/46/95/341534695.db2.gz HKKIWYLQRHXCPH-AWEZNQCLSA-N 0 0 304.390 3.706 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)CC2CCOCC2)c2ccccc21 ZINC000153691044 341577194 /nfs/dbraw/zinc/57/71/94/341577194.db2.gz RHHRJSVKSKGDIA-RDTXWAMCSA-N 0 0 316.445 3.693 10 0 DHAERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@@H](C)C(C)C ZINC000155322580 341606157 /nfs/dbraw/zinc/60/61/57/341606157.db2.gz SPNUMVBDGPORCZ-LBPRGKRZSA-N 0 0 305.809 3.608 10 0 DHAERN CC(=O)c1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000157868645 341646940 /nfs/dbraw/zinc/64/69/40/341646940.db2.gz TYFOPLYZNSTYNG-SFHVURJKSA-N 0 0 311.356 3.836 10 0 DHAERN Cc1c(C(=O)N2CCS[C@H](C)C2)sc2cccc(F)c12 ZINC000171576703 341780829 /nfs/dbraw/zinc/78/08/29/341780829.db2.gz CLDZRNCAWWMWSZ-SECBINFHSA-N 0 0 309.431 3.926 10 0 DHAERN CC1(C)CCCC[C@H]1NC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000176793499 341900726 /nfs/dbraw/zinc/90/07/26/341900726.db2.gz YTOCMHOOHIUPCV-VXGBXAGGSA-N 0 0 306.372 3.939 10 0 DHAERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl ZINC000190260223 519800329 /nfs/dbraw/zinc/80/03/29/519800329.db2.gz YKNRHIAWJYAPAM-RNCFNFMXSA-N 0 0 304.217 3.578 10 0 DHAERN CC(C)(CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000151097022 519188456 /nfs/dbraw/zinc/18/84/56/519188456.db2.gz QQIMRIODBZSYJI-YLJYHZDGSA-N 0 0 315.457 3.508 10 0 DHAERN CC(C)Cc1noc(CN[C@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000180731152 519477355 /nfs/dbraw/zinc/47/73/55/519477355.db2.gz NYZWXYRWUXFJOU-SNVBAGLBSA-N 0 0 311.788 3.911 10 0 DHAERN CC(C)Cn1ncnc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000182854661 519544035 /nfs/dbraw/zinc/54/40/35/519544035.db2.gz XOFMBZBBOORFAP-HNNXBMFYSA-N 0 0 300.450 3.908 10 0 DHAERN CC(=O)NC1CCC(Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000161767264 519645862 /nfs/dbraw/zinc/64/58/62/519645862.db2.gz NFBNEQGEWVUBEO-UHFFFAOYSA-N 0 0 300.324 3.565 10 0 DHAERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cccs2)c1C ZINC000188160409 519737354 /nfs/dbraw/zinc/73/73/54/519737354.db2.gz XTJJKHDIAMADPT-NSHDSACASA-N 0 0 302.399 3.506 10 0 DHAERN CC(C)CO[C@@H](C)c1noc(CN[C@H](C)c2cccs2)n1 ZINC000182552155 519759809 /nfs/dbraw/zinc/75/98/09/519759809.db2.gz JWQFKUDNIKOBOI-NEPJUHHUSA-N 0 0 309.435 3.716 10 0 DHAERN CC(C)[C@H](C)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000128331490 519812585 /nfs/dbraw/zinc/81/25/85/519812585.db2.gz ZOQCXXPJIMUBEI-JTQLQIEISA-N 0 0 323.234 3.634 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)C[C@H]2CCCOC2)cc1 ZINC000171651363 519839785 /nfs/dbraw/zinc/83/97/85/519839785.db2.gz OVXUQGFPLFTMAP-JKSUJKDBSA-N 0 0 318.461 3.939 10 0 DHAERN CC(C)c1nc([C@H]2CCCN(C(=O)C[C@H]3CC[C@@H](C)C3)C2)no1 ZINC000363936875 519867682 /nfs/dbraw/zinc/86/76/82/519867682.db2.gz MBPTZHTZHHRVBQ-ILXRZTDVSA-N 0 0 319.449 3.725 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccccc1Cl)C2 ZINC000106371983 519869045 /nfs/dbraw/zinc/86/90/45/519869045.db2.gz MUHCEIZWPFFZKQ-UHFFFAOYSA-N 0 0 303.837 3.755 10 0 DHAERN CC(C)c1nnc(NCc2cnc3c(cnn3C(C)C)c2)s1 ZINC000181561453 519890696 /nfs/dbraw/zinc/89/06/96/519890696.db2.gz HJOLCEJNCGMLLI-UHFFFAOYSA-N 0 0 316.434 3.599 10 0 DHAERN CCN(C(=O)N[C@@H](C)c1ccccc1Br)C(C)C ZINC000170748790 519978365 /nfs/dbraw/zinc/97/83/65/519978365.db2.gz LHKQAKICDAVAGU-NSHDSACASA-N 0 0 313.239 3.950 10 0 DHAERN CCN(C)C(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182620829 520201298 /nfs/dbraw/zinc/20/12/98/520201298.db2.gz TYDBZFBGUFMFMM-TZMCWYRMSA-N 0 0 316.228 3.939 10 0 DHAERN CCCCC[C@H](C)NC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111792257 520305317 /nfs/dbraw/zinc/30/53/17/520305317.db2.gz ZTOKGKGLJRCWSM-HOTGVXAUSA-N 0 0 306.454 3.507 10 0 DHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000194313892 520311007 /nfs/dbraw/zinc/31/10/07/520311007.db2.gz UGTNQODDPKYCLB-XHSDSOJGSA-N 0 0 319.445 3.911 10 0 DHAERN CCO[C@H]1C[C@@H](Nc2ccc(CSC)cc2)C12CCOCC2 ZINC000186485484 520552473 /nfs/dbraw/zinc/55/24/73/520552473.db2.gz SKHNWHSLYMWDJL-SJORKVTESA-N 0 0 321.486 3.936 10 0 DHAERN CCN(CC)C(=O)c1ccccc1NCc1nccn1C(C)C ZINC000124207400 520563438 /nfs/dbraw/zinc/56/34/38/520563438.db2.gz MEPQPMCZECKYBP-UHFFFAOYSA-N 0 0 314.433 3.558 10 0 DHAERN CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188608401 520893116 /nfs/dbraw/zinc/89/31/16/520893116.db2.gz FSVPRONJVNPNMK-UKRRQHHQSA-N 0 0 321.417 3.628 10 0 DHAERN CCOC(=O)[C@H](c1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000057353604 521275578 /nfs/dbraw/zinc/27/55/78/521275578.db2.gz MMVCSBTYYGNSBN-INIZCTEOSA-N 0 0 322.364 3.740 10 0 DHAERN CCCc1ncc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000173027979 521552107 /nfs/dbraw/zinc/55/21/07/521552107.db2.gz RQOOKWWDAMJFJF-UWVGGRQHSA-N 0 0 320.380 3.947 10 0 DHAERN CCCc1noc(CN[C@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000181390231 521585665 /nfs/dbraw/zinc/58/56/65/521585665.db2.gz HFTHGFLHKMOEIO-CQSZACIVSA-N 0 0 317.433 3.908 10 0 DHAERN CCC(CC)[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2ccc(C)o2)CCO1 ZINC000180623598 521613742 /nfs/dbraw/zinc/61/37/42/521613742.db2.gz HNCNDWZYCVVUPA-LXZKKBNFSA-N 0 0 322.449 3.932 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)c3ccccc3)C2)n1 ZINC000113205108 522117385 /nfs/dbraw/zinc/11/73/85/522117385.db2.gz DSRFKNCUXRVQMK-AWEZNQCLSA-N 0 0 300.427 3.725 10 0 DHAERN COC(=O)c1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000127616369 522260890 /nfs/dbraw/zinc/26/08/90/522260890.db2.gz LZEJKBQHAXNJAX-OAHLLOKOSA-N 0 0 316.426 3.657 10 0 DHAERN CCc1nc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)no1 ZINC000181734493 522348263 /nfs/dbraw/zinc/34/82/63/522348263.db2.gz FNJNOPLDIQVKPJ-AWEZNQCLSA-N 0 0 317.433 3.908 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190760123 522521783 /nfs/dbraw/zinc/52/17/83/522521783.db2.gz SLRHLTCWMVFKHA-RKDXNWHRSA-N 0 0 318.200 3.756 10 0 DHAERN COC[C@H](C)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000127033324 522552911 /nfs/dbraw/zinc/55/29/11/522552911.db2.gz SEWZLIBZKFMMJK-QMMMGPOBSA-N 0 0 320.614 3.632 10 0 DHAERN CN(CC1CC1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157594581 522621046 /nfs/dbraw/zinc/62/10/46/522621046.db2.gz WZHRRBCNBLXKLA-MRXNPFEDSA-N 0 0 314.429 3.874 10 0 DHAERN CCc1nn(C)c(CC)c1CN1CCCC[C@@H]1c1nccs1 ZINC000127747190 522653302 /nfs/dbraw/zinc/65/33/02/522653302.db2.gz FGTZEJHGYAZXJR-MRXNPFEDSA-N 0 0 318.490 3.729 10 0 DHAERN CC[C@H](N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754999 522752123 /nfs/dbraw/zinc/75/21/23/522752123.db2.gz KLHYVFWJXYADHG-STQMWFEESA-N 0 0 308.788 3.646 10 0 DHAERN CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880398 522948148 /nfs/dbraw/zinc/94/81/48/522948148.db2.gz FPMIAJLWGRXPSU-KGLIPLIRSA-N 0 0 322.815 3.955 10 0 DHAERN COCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130533581 523127771 /nfs/dbraw/zinc/12/77/71/523127771.db2.gz VTDFEWDHZOUTNW-QZTJIDSGSA-N 0 0 303.446 3.846 10 0 DHAERN COCCCCCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130532921 523130642 /nfs/dbraw/zinc/13/06/42/523130642.db2.gz VTDFEWDHZOUTNW-ROUUACIJSA-N 0 0 303.446 3.846 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cccc(C)c3C)CC2)cn1 ZINC000124099077 523353202 /nfs/dbraw/zinc/35/32/02/523353202.db2.gz PXCCEROHXCXWAK-UHFFFAOYSA-N 0 0 311.429 3.540 10 0 DHAERN CC[C@]1(C)Oc2ccc(NC(=O)N3CCS[C@@H](C)C3)cc2O1 ZINC000190446994 523604202 /nfs/dbraw/zinc/60/42/02/523604202.db2.gz GKYDKXXKOIRKHD-MEDUHNTESA-N 0 0 322.430 3.553 10 0 DHAERN CC[C@H](C(=O)N[C@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000157420318 523794665 /nfs/dbraw/zinc/79/46/65/523794665.db2.gz YIKJGFXFOMLSNC-RDJZCZTQSA-N 0 0 313.372 3.959 10 0 DHAERN CC[C@H](C)NC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173921197 523977724 /nfs/dbraw/zinc/97/77/24/523977724.db2.gz YGWJWCWVBNJAPM-STQMWFEESA-N 0 0 309.479 3.954 10 0 DHAERN COc1ccc(CN2CCCC[C@H]2c2nccs2)cc1OC ZINC000127699509 524026172 /nfs/dbraw/zinc/02/61/72/524026172.db2.gz PJMNPDXLEBUOHI-AWEZNQCLSA-N 0 0 318.442 3.888 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)NC[C@@H](C)c2nccs2)cc1 ZINC000182805360 524044398 /nfs/dbraw/zinc/04/43/98/524044398.db2.gz WNHFOGUEKDWAEH-OLZOCXBDSA-N 0 0 317.458 3.869 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)no1 ZINC000151657633 524127643 /nfs/dbraw/zinc/12/76/43/524127643.db2.gz BMJWPJZVVRFVAR-OAHLLOKOSA-N 0 0 312.369 3.549 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)NC2CCSCC2)c2ccccc21 ZINC000179216294 524366224 /nfs/dbraw/zinc/36/62/24/524366224.db2.gz NGJSQIDWBHOOJA-BLLLJJGKSA-N 0 0 304.459 3.820 10 0 DHAERN Cc1cccc(F)c1NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000184467560 524503272 /nfs/dbraw/zinc/50/32/72/524503272.db2.gz JTXQZEJMCAEROJ-AWEZNQCLSA-N 0 0 316.376 3.861 10 0 DHAERN Cc1ccc(F)cc1CN1CCc2c(nc(C(C)C)n2C)C1 ZINC000180127561 524850529 /nfs/dbraw/zinc/85/05/29/524850529.db2.gz RMRWTKNUAWYZCC-UHFFFAOYSA-N 0 0 301.409 3.549 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000188490721 525015249 /nfs/dbraw/zinc/01/52/49/525015249.db2.gz NDGSSDHIJHIXEC-CJNGLKHVSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H](NC(=O)N(C)[C@@H]1CCSC1)c1ccc(F)c(Cl)c1 ZINC000123530685 525153629 /nfs/dbraw/zinc/15/36/29/525153629.db2.gz NDDBCCOTZQYBIX-MWLCHTKSSA-N 0 0 316.829 3.687 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N(C)Cc2nccn2C(F)F)CC(C)(C)C1 ZINC000183128622 525183150 /nfs/dbraw/zinc/18/31/50/525183150.db2.gz WGXIGCUBHFXGND-VXGBXAGGSA-N 0 0 313.392 3.699 10 0 DHAERN C[C@@H](NC(=O)NCCCCCCO)c1ccc2ccccc2c1 ZINC000181011039 525197801 /nfs/dbraw/zinc/19/78/01/525197801.db2.gz USZJUMASPXRBKR-OAHLLOKOSA-N 0 0 314.429 3.753 10 0 DHAERN Cc1ccccc1N[C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000182532403 525273843 /nfs/dbraw/zinc/27/38/43/525273843.db2.gz YQQPREZVOGEDIV-CYBMUJFWSA-N 0 0 304.415 3.540 10 0 DHAERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(N)cc2)C2CC2)o1 ZINC000262313635 525339067 /nfs/dbraw/zinc/33/90/67/525339067.db2.gz OSIZEGWDUNXSOH-PXAZEXFGSA-N 0 0 310.397 3.790 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc(NC(N)=O)cc2)CC(C)(C)C1 ZINC000182997049 525364166 /nfs/dbraw/zinc/36/41/66/525364166.db2.gz FKLREHZVADXFPJ-NEPJUHHUSA-N 0 0 303.406 3.578 10 0 DHAERN C[C@@H](NC(=O)c1cnn2c1CCCC2)c1ccc(F)c(Cl)c1 ZINC000126423943 525375258 /nfs/dbraw/zinc/37/52/58/525375258.db2.gz HVMRDFSIADFZRF-SNVBAGLBSA-N 0 0 321.783 3.503 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107090797 525414469 /nfs/dbraw/zinc/41/44/69/525414469.db2.gz FKZHQSLAFYBLSK-ZDUSSCGKSA-N 0 0 307.353 3.536 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000188943971 525558723 /nfs/dbraw/zinc/55/87/23/525558723.db2.gz QECAZEXZFYZADL-DZGCQCFKSA-N 0 0 303.402 3.762 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000191569374 525559848 /nfs/dbraw/zinc/55/98/48/525559848.db2.gz PCNKKXODNBXDKU-SMDDNHRTSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(-c2ccccc2)o1 ZINC000164795867 525617832 /nfs/dbraw/zinc/61/78/32/525617832.db2.gz GMJLXUMHAZZFSD-ZFWWWQNUSA-N 0 0 308.385 3.724 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189738835 525624397 /nfs/dbraw/zinc/62/43/97/525624397.db2.gz NEJAKKXKGHHORN-NEPJUHHUSA-N 0 0 305.451 3.652 10 0 DHAERN Cc1ccnc(-c2ccc(NCc3nccn3C(C)C)cc2)n1 ZINC000124501449 525628233 /nfs/dbraw/zinc/62/82/33/525628233.db2.gz LNOBOZQEXHKFOP-UHFFFAOYSA-N 0 0 307.401 3.842 10 0 DHAERN C[C@@H](Nc1cc(N2CCC[C@H](C)C2)ncn1)c1cccc(O)c1 ZINC000246135833 525699125 /nfs/dbraw/zinc/69/91/25/525699125.db2.gz JXNVKNYSUYEEKP-UONOGXRCSA-N 0 0 312.417 3.592 10 0 DHAERN CS[C@@H](C)CC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000162828879 525788983 /nfs/dbraw/zinc/78/89/83/525788983.db2.gz UQYIXBMCRMYFFD-ZFWWWQNUSA-N 0 0 307.459 3.507 10 0 DHAERN Cc1c(NC(=O)[C@@H]2CCCO[C@@H]2C)cccc1C(F)(F)F ZINC000189372743 525853245 /nfs/dbraw/zinc/85/32/45/525853245.db2.gz MJZKLSCVPHSDRZ-GHMZBOCLSA-N 0 0 301.308 3.767 10 0 DHAERN C[C@H](C(=O)N1CCC[C@H]1C[C@H](O)c1ccco1)c1cccs1 ZINC000154472174 525977716 /nfs/dbraw/zinc/97/77/16/525977716.db2.gz DYVRHQRDBCWWJW-IHRRRGAJSA-N 0 0 319.426 3.559 10 0 DHAERN Cc1c2nc(NCc3cn(C(C)(C)C)nn3)sc2ccc1F ZINC000191545840 525996677 /nfs/dbraw/zinc/99/66/77/525996677.db2.gz FIDMYSIEFUJYMB-UHFFFAOYSA-N 0 0 319.409 3.702 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc4c(c3)CCC4)C2)c1 ZINC000111708739 526267535 /nfs/dbraw/zinc/26/75/35/526267535.db2.gz VWCAIKKZTVNXLP-SFHVURJKSA-N 0 0 324.428 3.549 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)c1 ZINC000106224813 526267738 /nfs/dbraw/zinc/26/77/38/526267738.db2.gz YEMRGKIRPFLBFA-HNNXBMFYSA-N 0 0 307.800 3.821 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3c(F)cccc3Cl)C2)c1 ZINC000106225672 526267890 /nfs/dbraw/zinc/26/78/90/526267890.db2.gz JHASPMNXJYEXTP-ZDUSSCGKSA-N 0 0 307.800 3.821 10 0 DHAERN Fc1ccc(C(F)(F)F)cc1CNc1nc(C2CC2)no1 ZINC000181861376 526326474 /nfs/dbraw/zinc/32/64/74/526326474.db2.gz MFIAOOUFQQHPTD-UHFFFAOYSA-N 0 0 301.243 3.717 10 0 DHAERN Cc1csc(CCCNc2noc(-c3ccccc3)n2)n1 ZINC000157366342 526339816 /nfs/dbraw/zinc/33/98/16/526339816.db2.gz SDNQIXYTOCSHKY-UHFFFAOYSA-N 0 0 300.387 3.546 10 0 DHAERN Fc1ccc(Cl)c(CN2CCO[C@@H](c3nccs3)C2)c1 ZINC000189000031 526346746 /nfs/dbraw/zinc/34/67/46/526346746.db2.gz PLSZFXHATPYEEJ-CYBMUJFWSA-N 0 0 312.797 3.509 10 0 DHAERN Cc1csc(N(C(=O)[C@H]2CC[C@@H](C)O2)c2ccccc2)n1 ZINC000153252214 526372236 /nfs/dbraw/zinc/37/22/36/526372236.db2.gz LBVABSMBDALJAB-TZMCWYRMSA-N 0 0 302.399 3.684 10 0 DHAERN O=C(NCCc1ccc(Cl)nc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000151090814 526406557 /nfs/dbraw/zinc/40/65/57/526406557.db2.gz DNJCRIWIRFGQQW-CABCVRRESA-N 0 0 306.837 3.610 10 0 DHAERN Cc1csc([C@@H]2CN(C[C@@H](C)Cc3ccccc3)CCO2)n1 ZINC000182036003 526423169 /nfs/dbraw/zinc/42/31/69/526423169.db2.gz KKCOZYYDUDUJME-YOEHRIQHSA-N 0 0 316.470 3.704 10 0 DHAERN O=C(c1ccnc(Cl)c1)N1CCCC[C@H]1c1nccs1 ZINC000265270051 526844528 /nfs/dbraw/zinc/84/45/28/526844528.db2.gz VWKANYNWSVJTRD-NSHDSACASA-N 0 0 307.806 3.559 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)c1ncccc1C(F)(F)F ZINC000179738501 527041115 /nfs/dbraw/zinc/04/11/15/527041115.db2.gz ZCTHLBRJTRZWGQ-AWEZNQCLSA-N 0 0 320.314 3.908 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)C=C2CCC(C)(C)CC2)cn1 ZINC000124926971 527298113 /nfs/dbraw/zinc/29/81/13/527298113.db2.gz NDOWEHDDOKNICQ-INIZCTEOSA-N 0 0 301.434 3.610 10 0 DHAERN O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000133703230 527316301 /nfs/dbraw/zinc/31/63/01/527316301.db2.gz ITWFQGOKWSDKKS-JKSUJKDBSA-N 0 0 311.385 3.892 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccc3ccccc32)cn1 ZINC000171449109 527317313 /nfs/dbraw/zinc/31/73/13/527317313.db2.gz JZLKMFPCIZIPQC-GOSISDBHSA-N 0 0 320.396 3.942 10 0 DHAERN Cn1nccc1C1CCN(Cc2ccc(Cl)cc2F)CC1 ZINC000188988738 527599098 /nfs/dbraw/zinc/59/90/98/527599098.db2.gz SQRURXVCWTYDOA-UHFFFAOYSA-N 0 0 307.800 3.592 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H](C)CC(C)C ZINC000105850912 527658828 /nfs/dbraw/zinc/65/88/28/527658828.db2.gz ISWHZCVECXAEBD-BBRMVZONSA-N 0 0 305.466 3.773 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1cc(C)cc(Br)c1 ZINC000186788758 527700187 /nfs/dbraw/zinc/70/01/87/527700187.db2.gz HDVPFDYTQDDQKM-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN Brc1sccc1[C@@H]1NCCc2sccc21 ZINC000707028101 568414349 /nfs/dbraw/zinc/41/43/49/568414349.db2.gz NBNRJPRZIPMYTH-SNVBAGLBSA-N 0 0 300.246 3.807 10 0 DHAERN CC(C)CCCCCCCCCCCC(=O)OC[C@H](O)CO ZINC000015261758 560229880 /nfs/dbraw/zinc/22/98/80/560229880.db2.gz CALSYPDGGJMMDZ-QGZVFWFLSA-N 0 0 316.482 3.830 10 0 biogenic DHAERN CCCNC(=S)N(Cc1cccnc1)C[C@H]1CC=CCC1 ZINC000017031003 563413617 /nfs/dbraw/zinc/41/36/17/563413617.db2.gz BUBNAENHZIDTON-HNNXBMFYSA-N 0 0 303.475 3.524 10 0 DHAERN CCCc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1O ZINC000145658305 563446214 /nfs/dbraw/zinc/44/62/14/563446214.db2.gz IDYNFEYVQHYHDH-UHFFFAOYSA-N 0 0 306.383 3.541 10 0 DHAERN Brc1csc(CNCc2nc3ccccc3[nH]2)c1 ZINC000048435812 563466619 /nfs/dbraw/zinc/46/66/19/563466619.db2.gz DEPUOQYHLHRKHG-UHFFFAOYSA-N 0 0 322.231 3.677 10 0 DHAERN O=C(Nc1cc(F)c2[nH]c(=O)ccc2c1)c1ccccc1Cl ZINC000033127236 563496856 /nfs/dbraw/zinc/49/68/56/563496856.db2.gz HRXKNVGTFYLMRP-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN NNc1cc2cccc(Br)c2nc1C1CCCC1 ZINC000725268546 563574611 /nfs/dbraw/zinc/57/46/11/563574611.db2.gz VHPBLIYZBGPZJY-UHFFFAOYSA-N 0 0 306.207 3.941 10 0 DHAERN O=S(=O)(Oc1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000226861801 563605435 /nfs/dbraw/zinc/60/54/35/563605435.db2.gz ZJQKFWZLJRSNNI-UHFFFAOYSA-N 0 0 310.374 3.706 10 0 DHAERN COc1cc(C)nc2ccc(NC(=O)c3ccc(F)cc3)cc21 ZINC000035536954 563872398 /nfs/dbraw/zinc/87/23/98/563872398.db2.gz QCQFTWMMAJNHLP-UHFFFAOYSA-N 0 0 310.328 3.943 10 0 DHAERN CCOC(=O)c1cc2c(cc(Br)cc2Cl)[nH]1 ZINC000161044895 563912533 /nfs/dbraw/zinc/91/25/33/563912533.db2.gz ZGODEWLUGBHJQC-UHFFFAOYSA-N 0 0 302.555 3.761 10 0 DHAERN CC1CCN(c2ccc(N)cc2NC(=O)c2cccs2)CC1 ZINC000226254140 563913312 /nfs/dbraw/zinc/91/33/12/563913312.db2.gz OZKODGCYFZODOM-UHFFFAOYSA-N 0 0 315.442 3.819 10 0 DHAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2cccc(F)c2)c1 ZINC000226255004 563913315 /nfs/dbraw/zinc/91/33/15/563913315.db2.gz GTZLSERWUPWVLA-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253795 563913396 /nfs/dbraw/zinc/91/33/96/563913396.db2.gz IZKKRGVUWRCISQ-HNNXBMFYSA-N 0 0 323.440 3.829 10 0 DHAERN Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C ZINC000226275759 563913604 /nfs/dbraw/zinc/91/36/04/563913604.db2.gz XRBNEHKOTPENKL-GFCCVEGCSA-N 0 0 314.351 3.899 10 0 DHAERN O=C(Nc1cccc(C(F)(F)F)c1)n1nnc2ccccc21 ZINC000048546928 563924030 /nfs/dbraw/zinc/92/40/30/563924030.db2.gz IMIYEBDDYJHJLE-UHFFFAOYSA-N 0 0 306.247 3.530 10 0 DHAERN Cc1cc(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)c(C)o1 ZINC000328636533 563929904 /nfs/dbraw/zinc/92/99/04/563929904.db2.gz VNIYKHYXDPYFFL-ZDUSSCGKSA-N 0 0 318.442 3.853 10 0 DHAERN CCC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1F ZINC000383536933 971875503 /nfs/dbraw/zinc/87/55/03/971875503.db2.gz CHXBCQWOACBGCH-UHFFFAOYSA-N 0 0 301.361 3.936 10 0 DHAERN C[C@H](CCOCc1ccccc1)[NH2+]Cc1ccsc1C(=O)[O-] ZINC000389686902 972240434 /nfs/dbraw/zinc/24/04/34/972240434.db2.gz YLABJJJHMWQICL-CYBMUJFWSA-N 0 0 319.426 3.531 10 0 DHAERN CCC[C@@](C)([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000159378460 959116552 /nfs/dbraw/zinc/11/65/52/959116552.db2.gz FJMVTDSEJVURBI-CYBMUJFWSA-N 0 0 307.287 3.578 10 0 DHAERN CC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720612 959897442 /nfs/dbraw/zinc/89/74/42/959897442.db2.gz ZGHUQWITJFTHRK-LBPRGKRZSA-N 0 0 312.207 3.522 10 0 DHAERN C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1cc(Cl)sc1Cl ZINC000308346347 963268667 /nfs/dbraw/zinc/26/86/67/963268667.db2.gz AVHKWQGOUDSQMC-HTQZYQBOSA-N 0 0 308.230 3.740 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(F)cc1Cl ZINC000692427161 976466696 /nfs/dbraw/zinc/46/66/96/976466696.db2.gz FENQTVVSPNWKDT-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN CC(C)C(C)(C)[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000698028913 976875300 /nfs/dbraw/zinc/87/53/00/976875300.db2.gz QTENLSQQIKBLRO-UHFFFAOYSA-N 0 0 314.223 3.672 10 0 DHAERN CCc1ccc(C2=CCN(C(=O)c3ccc[nH]c3=S)CC2)cc1 ZINC000089366747 1032335877 /nfs/dbraw/zinc/33/58/77/1032335877.db2.gz GQRLARQBLIIBKJ-UHFFFAOYSA-N 0 0 324.449 3.862 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)[C@@H]1C[C@@H]1c1ccco1 ZINC000049374119 1025708845 /nfs/dbraw/zinc/70/88/45/1025708845.db2.gz XXIIRZHVCAWIKO-VHSXEESVSA-N 0 0 324.149 3.923 10 0 DHAERN O=C(CNc1cc(F)ccc1F)N1CCC[C@H]1c1cccs1 ZINC000052874472 1026420904 /nfs/dbraw/zinc/42/09/04/1026420904.db2.gz VJMJNMZLESJRGQ-AWEZNQCLSA-N 0 0 322.380 3.802 10 0 DHAERN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@H](c2nccs2)C1 ZINC000067047520 1030519910 /nfs/dbraw/zinc/51/99/10/1030519910.db2.gz ORLLIMMRUSWMGT-AWEZNQCLSA-N 0 0 311.410 3.644 10 0 DHAERN Brc1cc(CN[C@H]2COc3ccccc32)cs1 ZINC000070070186 1030555404 /nfs/dbraw/zinc/55/54/04/1030555404.db2.gz GQLQGFXJAJVXCB-NSHDSACASA-N 0 0 310.216 3.734 10 0 DHAERN C[C@H](NC(=O)Nc1cccc(-c2nccn2C)c1)C(C)(C)C ZINC000077446613 1030859614 /nfs/dbraw/zinc/85/96/14/1030859614.db2.gz MZLALFFIEVEOMN-LBPRGKRZSA-N 0 0 300.406 3.643 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc1 ZINC000078186689 1030919967 /nfs/dbraw/zinc/91/99/67/1030919967.db2.gz RWDSYMUXITUVBX-WFASDCNBSA-N 0 0 301.411 3.775 10 0 DHAERN Cc1cccc(NCC(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000078953922 1031063427 /nfs/dbraw/zinc/06/34/27/1031063427.db2.gz PMHQZWHKAOQZOY-HNNXBMFYSA-N 0 0 300.427 3.832 10 0 DHAERN CC(C)c1ccc(OC2CC2)cc1I ZINC000095725045 185383405 /nfs/dbraw/zinc/38/34/05/185383405.db2.gz RDJHDSULPVVIIO-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN Oc1ccc(I)c(OC2CCCCC2)c1 ZINC000095724238 185383441 /nfs/dbraw/zinc/38/34/41/185383441.db2.gz IELRSYMLBHIXDB-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN O=c1cc(-c2ccncc2)oc2ccc(Br)cc12 ZINC000095775461 185384175 /nfs/dbraw/zinc/38/41/75/185384175.db2.gz NKXYOYJMCDMIMV-UHFFFAOYSA-N 0 0 302.127 3.618 10 0 DHAERN COc1cc(C(=O)CC(C)C)c(OC)cc1Br ZINC000083256132 185221505 /nfs/dbraw/zinc/22/15/05/185221505.db2.gz PJTXDADFOMXWQT-UHFFFAOYSA-N 0 0 301.180 3.695 10 0 DHAERN CC(C)CN(Cc1cn2ccsc2n1)c1cccc(O)c1 ZINC000225455071 201711582 /nfs/dbraw/zinc/71/15/82/201711582.db2.gz SVFLOSICWXVKNB-UHFFFAOYSA-N 0 0 301.415 3.764 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000090223320 185287326 /nfs/dbraw/zinc/28/73/26/185287326.db2.gz UCDQYTZAQZHUAL-KSSFIOAISA-N 0 0 312.461 3.971 10 0 DHAERN CCC[C@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225564 185287521 /nfs/dbraw/zinc/28/75/21/185287521.db2.gz FMXNZVFOLQKACM-IRXDYDNUSA-N 0 0 314.433 3.561 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(F)cc1Cl ZINC000090226117 185287688 /nfs/dbraw/zinc/28/76/88/185287688.db2.gz NKDMROPXYJQAJW-OTYXRUKQSA-N 0 0 308.788 3.565 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1sc(C(C)C)nc1C ZINC000090225335 185287700 /nfs/dbraw/zinc/28/77/00/185287700.db2.gz GLMQUNSDLKNYOW-MFKMUULPSA-N 0 0 319.478 3.661 10 0 DHAERN CC(C)(C)OC(=O)NCCCCNc1cccc2cnccc21 ZINC000090636377 185307603 /nfs/dbraw/zinc/30/76/03/185307603.db2.gz DRKAJZSMFQWVAV-UHFFFAOYSA-N 0 0 315.417 3.952 10 0 DHAERN CCn1c(C)nnc1CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000092428330 185317343 /nfs/dbraw/zinc/31/73/43/185317343.db2.gz NRARBAFQDPIFNK-UHFFFAOYSA-N 0 0 310.445 3.513 10 0 DHAERN O=C(Oc1ccccc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000041173640 190667622 /nfs/dbraw/zinc/66/76/22/190667622.db2.gz JWTJLBYBDFWMOL-MRXNPFEDSA-N 0 0 317.772 3.912 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000091597135 334956397 /nfs/dbraw/zinc/95/63/97/334956397.db2.gz JRSZADWVWZBOGF-TUKIKUTGSA-N 0 0 310.825 3.514 10 0 DHAERN O=c1oc2ccccc2cc1-c1ccc(-n2cnnc2)cc1Cl ZINC000226280756 201772007 /nfs/dbraw/zinc/77/20/07/201772007.db2.gz QBYKBGYXZJONSU-UHFFFAOYSA-N 0 0 323.739 3.694 10 0 DHAERN Cc1cccc(C)c1OCC(=O)Nc1cc(Cl)c(C)cc1N ZINC000226358975 201778516 /nfs/dbraw/zinc/77/85/16/201778516.db2.gz INMMAFDCDBHHEQ-UHFFFAOYSA-N 0 0 318.804 3.865 10 0 DHAERN Cc1cccc2c1N=C(C)C[C@H]2OCC(=O)NCc1ccccc1 ZINC000227148507 201792434 /nfs/dbraw/zinc/79/24/34/201792434.db2.gz YKXJZNHXPAMCGZ-GOSISDBHSA-N 0 0 322.408 3.865 10 0 DHAERN COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000068527655 190772405 /nfs/dbraw/zinc/77/24/05/190772405.db2.gz SRQIJFWKJBYAEZ-NSHDSACASA-N 0 0 307.777 3.670 10 0 DHAERN CCOC(=O)c1cc2cc(NC(=O)OC(C)(C)C)ccc2[nH]1 ZINC000138782634 186018851 /nfs/dbraw/zinc/01/88/51/186018851.db2.gz VEDYXWUYTPHMSF-UHFFFAOYSA-N 0 0 304.346 3.692 10 0 DHAERN O=C(NCc1ccccc1)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000139179199 186020055 /nfs/dbraw/zinc/02/00/55/186020055.db2.gz ZVOQFDGSWZOVBY-UHFFFAOYSA-N 0 0 317.348 3.753 10 0 DHAERN OCCCn1c2cnc3ccccc3c2nc1-c1ccccc1 ZINC000072176272 191071416 /nfs/dbraw/zinc/07/14/16/191071416.db2.gz HDDSAOZQNURRRD-UHFFFAOYSA-N 0 0 303.365 3.634 10 0 DHAERN Brc1nc(-c2ccccn2)sc1Br ZINC000072192892 191072952 /nfs/dbraw/zinc/07/29/52/191072952.db2.gz KOKYFLPZHDWMPU-UHFFFAOYSA-N 0 0 320.009 3.730 10 0 DHAERN CCN(CC)c1nc(Br)c(Br)s1 ZINC000072192963 191073401 /nfs/dbraw/zinc/07/34/01/191073401.db2.gz PVLVGEWINHICSB-UHFFFAOYSA-N 0 0 314.046 3.514 10 0 DHAERN CC(C)(C)OC(=O)NCCCNc1cccc2cnccc21 ZINC000164358462 186157479 /nfs/dbraw/zinc/15/74/79/186157479.db2.gz UHTRKKUEFMEDDX-UHFFFAOYSA-N 0 0 301.390 3.562 10 0 DHAERN COc1ccccc1-c1cnn2cc3c(nc12)CC(C)(C)CC3=O ZINC000072464098 191173968 /nfs/dbraw/zinc/17/39/68/191173968.db2.gz CWDFFIRQCOTSFA-UHFFFAOYSA-N 0 0 321.380 3.560 10 0 DHAERN O=c1c2c3c(sc2ncn1-c1cccc(Cl)c1)CCCC3 ZINC000000996608 180839765 /nfs/dbraw/zinc/83/97/65/180839765.db2.gz HHWAILUGFFNIAJ-UHFFFAOYSA-N 0 0 316.813 3.979 10 0 DHAERN COc1cccc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000003561468 181034738 /nfs/dbraw/zinc/03/47/38/181034738.db2.gz UKZCVFMECLVQJJ-VMPITWQZSA-N 0 0 307.271 3.764 10 0 DHAERN O=C(Cc1ccccc1)Nc1nc2c(cc(F)cc2F)s1 ZINC000003897974 181054396 /nfs/dbraw/zinc/05/43/96/181054396.db2.gz KRLPTSHZZPGAQF-UHFFFAOYSA-N 0 0 304.321 3.756 10 0 DHAERN C[C@H](NC(=O)N(C)C1CCC1)c1ccccc1Br ZINC000073489894 191321061 /nfs/dbraw/zinc/32/10/61/191321061.db2.gz WATMDVPBPBRADM-JTQLQIEISA-N 0 0 311.223 3.704 10 0 DHAERN CCc1ccc(-c2ccc(=O)n(Cc3cccc(C)c3)n2)cc1 ZINC000005397270 181239271 /nfs/dbraw/zinc/23/92/71/181239271.db2.gz RQATZAURGHWDOP-UHFFFAOYSA-N 0 0 304.393 3.829 10 0 DHAERN Cc1ccc(CC(=O)Nc2nnc(-c3ccccc3)o2)c(C)c1 ZINC000005268151 181225138 /nfs/dbraw/zinc/22/51/38/181225138.db2.gz OEQWOZXSAPWLHN-UHFFFAOYSA-N 0 0 307.353 3.535 10 0 DHAERN COC(=O)c1sc2ncnc(Nc3cccc(C)c3)c2c1C ZINC000005333256 181230217 /nfs/dbraw/zinc/23/02/17/181230217.db2.gz YLHOHJAXHAPFQK-UHFFFAOYSA-N 0 0 313.382 3.838 10 0 DHAERN COc1cccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c1 ZINC000005557364 181256835 /nfs/dbraw/zinc/25/68/35/181256835.db2.gz DDCQVWKCQHNPFK-AATRIKPKSA-N 0 0 311.425 3.793 10 0 DHAERN CCNC(=O)O[C@@H](c1nc2ccccc2o1)c1cccc(C)c1 ZINC000005573750 181259040 /nfs/dbraw/zinc/25/90/40/181259040.db2.gz ZAHDUHNBXCJVGP-MRXNPFEDSA-N 0 0 310.353 3.972 10 0 DHAERN Cc1ccnc(SC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000085333279 192491860 /nfs/dbraw/zinc/49/18/60/192491860.db2.gz IHXJGSJCJAXSND-ZDUSSCGKSA-N 0 0 323.462 3.667 10 0 DHAERN CCOc1ccc(C(=O)n2c(C)nc3ccccc32)cc1OCC ZINC000005908168 181295160 /nfs/dbraw/zinc/29/51/60/181295160.db2.gz PBQBWEJNMDBHHS-UHFFFAOYSA-N 0 0 324.380 3.831 10 0 DHAERN Cc1ccc(NC(=O)/C=C\c2ccc(Br)cc2)nc1 ZINC000005931910 181297002 /nfs/dbraw/zinc/29/70/02/181297002.db2.gz IHNCVTBJUMLKMS-UITAMQMPSA-N 0 0 317.186 3.804 10 0 DHAERN Brc1cnc2c(COCc3ccccc3)cccn12 ZINC000089202219 192741194 /nfs/dbraw/zinc/74/11/94/192741194.db2.gz GJHOSTGYWWCGBE-UHFFFAOYSA-N 0 0 317.186 3.814 10 0 DHAERN CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@]21C)C(=O)OC3 ZINC000006257188 181323159 /nfs/dbraw/zinc/32/31/59/181323159.db2.gz KPXIBWGPZSPABK-YLJYHZDGSA-N 0 0 312.409 3.983 10 0 DHAERN C[C@@H](NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006286839 181326490 /nfs/dbraw/zinc/32/64/90/181326490.db2.gz SPMHUSDGKDKNIV-ZIUDEIKKSA-N 0 0 313.441 3.787 10 0 DHAERN CC1(C)[C@@]2(C(=O)Nc3ccc4ccccc4c3)CC[C@]1(C)C(=O)O2 ZINC000006394716 181337148 /nfs/dbraw/zinc/33/71/48/181337148.db2.gz AOXOLOSVCGGYHC-UXHICEINSA-N 0 0 323.392 3.900 10 0 DHAERN C[C@H](c1ccccc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006416530 181339365 /nfs/dbraw/zinc/33/93/65/181339365.db2.gz BWDRPOSNGDUAMA-ZWNOBZJWSA-N 0 0 301.308 3.706 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000006594268 181359320 /nfs/dbraw/zinc/35/93/20/181359320.db2.gz NZWZHCHCEIDXAV-CQSZACIVSA-N 0 0 302.418 3.687 10 0 DHAERN CC(=O)Oc1ccccc1C(=O)N1CC[C@H](C)c2ccccc21 ZINC000196122214 201423294 /nfs/dbraw/zinc/42/32/94/201423294.db2.gz TUONJYSKKSBDLK-ZDUSSCGKSA-N 0 0 309.365 3.766 10 0 DHAERN Cn1c(C(=O)NCc2cccc(F)c2)cc2oc3ccccc3c21 ZINC000006750333 181383163 /nfs/dbraw/zinc/38/31/63/181383163.db2.gz FLRHQVGLAZICHM-UHFFFAOYSA-N 0 0 322.339 3.994 10 0 DHAERN CC(=O)Nc1cccc(OCC(=O)c2ccc(Cl)s2)c1 ZINC000006905615 181404103 /nfs/dbraw/zinc/40/41/03/181404103.db2.gz LWYDPNPAQXIHKV-UHFFFAOYSA-N 0 0 309.774 3.622 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@]2(CNc3ccccc3C2)C1 ZINC000091297470 193034706 /nfs/dbraw/zinc/03/47/06/193034706.db2.gz LKIXZLHWNLXFAO-SFHVURJKSA-N 0 0 302.418 3.672 10 0 DHAERN CCOc1ccc(N)cc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091353248 193046686 /nfs/dbraw/zinc/04/66/86/193046686.db2.gz MUYZWPMLDOGZHK-UHFFFAOYSA-N 0 0 320.433 3.782 10 0 DHAERN COc1cccc(Oc2nc(Cl)ncc2Br)c1 ZINC000091657705 193085673 /nfs/dbraw/zinc/08/56/73/193085673.db2.gz QEYLGTXPDCUQAG-UHFFFAOYSA-N 0 0 315.554 3.693 10 0 DHAERN FC(F)(F)c1ccc(-n2cc3cc4c(cc3n2)OCO4)cc1 ZINC000091690727 193091978 /nfs/dbraw/zinc/09/19/78/193091978.db2.gz AZKCCGDFLWYBSJ-UHFFFAOYSA-N 0 0 306.243 3.773 10 0 DHAERN Cc1cccc(C(=O)Nc2cnc(Oc3ccccc3F)nc2)c1 ZINC000224281835 201673160 /nfs/dbraw/zinc/67/31/60/201673160.db2.gz HITMICITEXJNIC-UHFFFAOYSA-N 0 0 323.327 3.969 10 0 DHAERN Cc1cc2c(ncnc2Nc2ccc(Cn3ccnc3)cc2)s1 ZINC000134550097 335001217 /nfs/dbraw/zinc/00/12/17/335001217.db2.gz DQVAUSBYSZCRAK-UHFFFAOYSA-N 0 0 321.409 3.988 10 0 DHAERN Cc1ncsc1CN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000092973612 193190840 /nfs/dbraw/zinc/19/08/40/193190840.db2.gz VPCOLBLLQWIWJG-HNNXBMFYSA-N 0 0 302.443 3.804 10 0 DHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000094203803 193348442 /nfs/dbraw/zinc/34/84/42/193348442.db2.gz DOOHIMPVDBRSAV-WDEREUQCSA-N 0 0 303.299 3.985 10 0 DHAERN CSc1nnc(SCC(=O)c2ccc(C)cc2C)s1 ZINC000095082317 193418313 /nfs/dbraw/zinc/41/83/13/193418313.db2.gz PPNNRJHPTIHDJO-UHFFFAOYSA-N 0 0 310.469 3.852 10 0 DHAERN C[C@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089335 193421180 /nfs/dbraw/zinc/42/11/80/193421180.db2.gz CXANDWQUVWKQMG-UONOGXRCSA-N 0 0 308.422 3.882 10 0 DHAERN O=C(Nc1onc2c1CCCC2)c1cccc(Br)c1 ZINC000008976543 181594344 /nfs/dbraw/zinc/59/43/44/181594344.db2.gz BRMYNELAJSDORZ-UHFFFAOYSA-N 0 0 321.174 3.568 10 0 DHAERN Cc1cc(C(=O)Nc2nc3c(cc(Cl)cc3C)s2)nn1C ZINC000009001866 181596627 /nfs/dbraw/zinc/59/66/27/181596627.db2.gz RFHDRDUUBURQQL-UHFFFAOYSA-N 0 0 320.805 3.552 10 0 DHAERN CCOc1ccc(Nc2nc(C(=O)NC(C)(C)C)cs2)cc1 ZINC000009208749 181607732 /nfs/dbraw/zinc/60/77/32/181607732.db2.gz MMSRMLRBVNEHRZ-UHFFFAOYSA-N 0 0 319.430 3.814 10 0 DHAERN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)C(C)C)nc21 ZINC000010888036 181680476 /nfs/dbraw/zinc/68/04/76/181680476.db2.gz OZJXTIVQLAMNSZ-ZDUSSCGKSA-N 0 0 318.442 3.773 10 0 DHAERN C[C@@H]1C[C@H](C)CN(C(=O)[C@@H](Cc2ccccc2)n2cccc2)C1 ZINC000013593068 181866390 /nfs/dbraw/zinc/86/63/90/181866390.db2.gz KDQQJZPFAMXIFG-ZIFCJYIRSA-N 0 0 310.441 3.776 10 0 DHAERN O=C(Nc1ccc(SCc2ccc(Cl)cc2)nn1)C1CC1 ZINC000013702032 181881576 /nfs/dbraw/zinc/88/15/76/181881576.db2.gz QRWNNJMXODLMET-UHFFFAOYSA-N 0 0 319.817 3.771 10 0 DHAERN CCOC(=O)c1ccc(OC(=O)/C=C/c2ccc(C)cc2)cc1 ZINC000014003507 181919374 /nfs/dbraw/zinc/91/93/74/181919374.db2.gz YYQZOVZFIKWIHE-MDWZMJQESA-N 0 0 310.349 3.791 10 0 DHAERN O=C(CCC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F ZINC000015564415 182006883 /nfs/dbraw/zinc/00/68/83/182006883.db2.gz JGPSFACVYBFTAY-UHFFFAOYSA-N 0 0 307.271 3.706 10 0 DHAERN CC[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1cc(C)cc(C)c1 ZINC000016896299 182062503 /nfs/dbraw/zinc/06/25/03/182062503.db2.gz ACLLHJMMBLMAMW-SFHVURJKSA-N 0 0 311.381 3.912 10 0 DHAERN CCc1cccc(C)c1NC(=O)CSc1ccc(N)cc1 ZINC000017025097 182068416 /nfs/dbraw/zinc/06/84/16/182068416.db2.gz QRAWWUVMNFLFKP-UHFFFAOYSA-N 0 0 300.427 3.870 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1cncc(Br)c1 ZINC000017963506 182088782 /nfs/dbraw/zinc/08/87/82/182088782.db2.gz CXDMGHGPTSXSLA-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN Cc1ccc(C(=O)Nc2ccccc2Br)cc1O ZINC000019519270 182127112 /nfs/dbraw/zinc/12/71/12/182127112.db2.gz HMEMXKZFUHJHFT-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN Nc1ccc2[nH]c(-c3ccc(Br)cc3F)nc2c1 ZINC000019487130 182124940 /nfs/dbraw/zinc/12/49/40/182124940.db2.gz XXOIRMNNUBXVSN-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN Cc1ccc(C(=O)Nc2ccc(Br)cc2F)c(O)c1 ZINC000019807263 182153008 /nfs/dbraw/zinc/15/30/08/182153008.db2.gz UCLDIFGMOMTKKR-UHFFFAOYSA-N 0 0 324.149 3.855 10 0 DHAERN COC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)cc2)c(C)c1 ZINC000019815674 182153212 /nfs/dbraw/zinc/15/32/12/182153212.db2.gz SKXUNKCBKPXWIE-DHZHZOJOSA-N 0 0 309.365 3.742 10 0 DHAERN NC(=S)c1ccc(Oc2ccccc2Br)cc1 ZINC000019867184 182157771 /nfs/dbraw/zinc/15/77/71/182157771.db2.gz RHSOXKZYHYNADL-UHFFFAOYSA-N 0 0 308.200 3.876 10 0 DHAERN COC(=O)c1c(N)scc1-c1ccccc1Br ZINC000019870451 182159310 /nfs/dbraw/zinc/15/93/10/182159310.db2.gz MASXPWNNTKEMGH-UHFFFAOYSA-N 0 0 312.188 3.546 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1cc(Br)ccc1F ZINC000019874978 182159372 /nfs/dbraw/zinc/15/93/72/182159372.db2.gz HYAHXEZYILBGPB-UHFFFAOYSA-N 0 0 321.193 3.733 10 0 DHAERN Cc1sc2nc(C)n(Cc3ccc(F)cc3)c(=O)c2c1C ZINC000019991526 182174947 /nfs/dbraw/zinc/17/49/47/182174947.db2.gz STHBCSGNGNEAHE-UHFFFAOYSA-N 0 0 302.374 3.571 10 0 DHAERN Nc1cc(NC(=O)COc2cccc(Cl)c2)ccc1Cl ZINC000019996629 182175509 /nfs/dbraw/zinc/17/55/09/182175509.db2.gz XCHHBOFRLVBGRC-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN NC(=S)c1cccc(COc2cccc(C(F)(F)F)c2)c1 ZINC000020016006 182178488 /nfs/dbraw/zinc/17/84/88/182178488.db2.gz HKSAWZFEVYGKTA-UHFFFAOYSA-N 0 0 311.328 3.919 10 0 DHAERN Nc1cc(Cl)ccc1SCC(=O)Nc1ccccc1F ZINC000020018987 182178995 /nfs/dbraw/zinc/17/89/95/182178995.db2.gz BCAVDEWXFGBLCJ-UHFFFAOYSA-N 0 0 310.781 3.792 10 0 DHAERN Cc1ccc(OCCC(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000020021564 182179595 /nfs/dbraw/zinc/17/95/95/182179595.db2.gz GNDOEXUIBQOMMO-UHFFFAOYSA-N 0 0 304.777 3.638 10 0 DHAERN NC(=S)c1ccc(NCc2cccc(C(F)(F)F)c2)cc1 ZINC000020022681 182179848 /nfs/dbraw/zinc/17/98/48/182179848.db2.gz JVUQTNQJOVATOM-UHFFFAOYSA-N 0 0 310.344 3.952 10 0 DHAERN CCc1cc2c(nc(C)n(Cc3ccccc3F)c2=O)s1 ZINC000020158436 182194204 /nfs/dbraw/zinc/19/42/04/182194204.db2.gz JASCLJDRSQMDCZ-UHFFFAOYSA-N 0 0 302.374 3.516 10 0 DHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)Cc1cccs1 ZINC000020081043 182185033 /nfs/dbraw/zinc/18/50/33/182185033.db2.gz FEKPRMZLNJCELV-UHFFFAOYSA-N 0 0 300.305 3.530 10 0 DHAERN Cc1ccc(Oc2cc(C(N)=S)ccn2)c(Br)c1 ZINC000020077867 182185563 /nfs/dbraw/zinc/18/55/63/182185563.db2.gz BQXUIEXZIYKOFN-UHFFFAOYSA-N 0 0 323.215 3.579 10 0 DHAERN COc1ccc(NC(=O)CCc2ccccc2N)cc1Cl ZINC000020187529 182195514 /nfs/dbraw/zinc/19/55/14/182195514.db2.gz HOQKAEJXNIEWCK-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN C[C@H](Nc1ccccc1Br)C(=O)Nc1ccccc1 ZINC000020300646 182204120 /nfs/dbraw/zinc/20/41/20/182204120.db2.gz BUISFNHVPMYSJR-NSHDSACASA-N 0 0 319.202 3.888 10 0 DHAERN C[C@H](Nc1cccc(Cl)c1Cl)C(=O)NC1CCCC1 ZINC000020301149 182204297 /nfs/dbraw/zinc/20/42/97/182204297.db2.gz IDFFNQCTFFTTTC-VIFPVBQESA-N 0 0 301.217 3.853 10 0 DHAERN CCc1ccc(-c2csc3ncnc(NC[C@H](C)O)c23)cc1 ZINC000020321758 182206852 /nfs/dbraw/zinc/20/68/52/182206852.db2.gz KRWNYNXTQPGWEG-NSHDSACASA-N 0 0 313.426 3.713 10 0 DHAERN Cc1ccc(-c2csc3ncnc(NC[C@@H](C)O)c23)cc1C ZINC000020322098 182206925 /nfs/dbraw/zinc/20/69/25/182206925.db2.gz LDDFAMSNPRHBFO-GFCCVEGCSA-N 0 0 313.426 3.768 10 0 DHAERN Cc1nc2scc(-c3ccc(C)c(C)c3)c2c(NCCO)n1 ZINC000020324199 182207509 /nfs/dbraw/zinc/20/75/09/182207509.db2.gz NGJQSBZPGGYLGK-UHFFFAOYSA-N 0 0 313.426 3.688 10 0 DHAERN CC(C)CCNC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369473 182212473 /nfs/dbraw/zinc/21/24/73/182212473.db2.gz CQRROAAZTSZQDH-UHFFFAOYSA-N 0 0 324.424 3.644 10 0 DHAERN CC(C)C1N=NC(=S)N1c1ccc(F)cc1Br ZINC000020590886 182235886 /nfs/dbraw/zinc/23/58/86/182235886.db2.gz OWTAQMZMDJDHOT-UHFFFAOYSA-N 0 0 316.199 3.581 10 0 DHAERN Nc1ccccc1NC(=O)CCCOc1ccc(Cl)cc1 ZINC000021021648 182261553 /nfs/dbraw/zinc/26/15/53/182261553.db2.gz LQCHHDICRYSIOJ-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN COc1ccc(-c2noc(N(C)c3ccccc3)n2)cc1OC ZINC000021630578 182281147 /nfs/dbraw/zinc/28/11/47/182281147.db2.gz FSPGJWQPIBORNN-UHFFFAOYSA-N 0 0 311.341 3.522 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000021871913 182295694 /nfs/dbraw/zinc/29/56/94/182295694.db2.gz CYPCZVSELFYDRS-QMMMGPOBSA-N 0 0 304.615 3.877 10 0 DHAERN C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@@H](C)O1 ZINC000021898065 182297295 /nfs/dbraw/zinc/29/72/95/182297295.db2.gz BXYWHTVTVNIIQX-VXGBXAGGSA-N 0 0 319.401 3.804 10 0 DHAERN CCOC(=O)c1c(CCC2CCCC2)nc2ccc(C)cn21 ZINC000021986655 182301503 /nfs/dbraw/zinc/30/15/03/182301503.db2.gz MNFVXJSSYIVQCT-UHFFFAOYSA-N 0 0 300.402 3.942 10 0 DHAERN CCOC(=O)c1c(-c2cccc(Cl)c2)nc2sccn21 ZINC000021985689 182301618 /nfs/dbraw/zinc/30/16/18/182301618.db2.gz UZXZNJPTKPSANX-UHFFFAOYSA-N 0 0 306.774 3.893 10 0 DHAERN CCOC(=O)c1ncn(-c2ccccc2)c1Nc1ccccc1 ZINC000022000814 182303029 /nfs/dbraw/zinc/30/30/29/182303029.db2.gz LJLPTZGVDGZBFB-UHFFFAOYSA-N 0 0 307.353 3.793 10 0 DHAERN CCOC(=O)c1sc2ncnc(N[C@H](C)C(C)C)c2c1C ZINC000023744412 182367500 /nfs/dbraw/zinc/36/75/00/182367500.db2.gz MLZBAEVXVBUHJW-SNVBAGLBSA-N 0 0 307.419 3.633 10 0 DHAERN C[C@H](O)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 ZINC000024828450 182392425 /nfs/dbraw/zinc/39/24/25/182392425.db2.gz LIDGHYJOQCIXGO-RYUDHWBXSA-N 0 0 319.788 3.799 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Cl ZINC000027834042 182492664 /nfs/dbraw/zinc/49/26/64/182492664.db2.gz IHTVKWLUHHVJGQ-DTWKUNHWSA-N 0 0 306.715 3.586 10 0 DHAERN CS(=O)(=O)Nc1cccc(-c2cc3cc(Cl)ccc3[nH]2)c1 ZINC000033106126 182693020 /nfs/dbraw/zinc/69/30/20/182693020.db2.gz FQXDNXZHJNJMOH-UHFFFAOYSA-N 0 0 320.801 3.860 10 0 DHAERN COc1ccc(Br)cc1C(=O)c1ccccc1C ZINC000037363081 182884023 /nfs/dbraw/zinc/88/40/23/182884023.db2.gz KMOOJLPJNPQZMH-UHFFFAOYSA-N 0 0 305.171 3.997 10 0 DHAERN CC(C)C[C@@H](C)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000037029563 182862886 /nfs/dbraw/zinc/86/28/86/182862886.db2.gz WZCLYBUATKPOOC-SNVBAGLBSA-N 0 0 304.843 3.558 10 0 DHAERN Nc1cc(Cl)cc(Br)c1OCc1ccccn1 ZINC000037288509 182877973 /nfs/dbraw/zinc/87/79/73/182877973.db2.gz NUNRCBSMTSPELB-UHFFFAOYSA-N 0 0 313.582 3.659 10 0 DHAERN Cn1c2ccc(Br)cc2nc1-c1ccc(N)cc1 ZINC000037441339 182893320 /nfs/dbraw/zinc/89/33/20/182893320.db2.gz JTGDLXZQMDUZIP-UHFFFAOYSA-N 0 0 302.175 3.585 10 0 DHAERN C[C@H]1Cc2ccccc2N1Cc1ccc(N)cc1Br ZINC000037515919 182902764 /nfs/dbraw/zinc/90/27/64/182902764.db2.gz OEPNGDTZIZEOIS-NSHDSACASA-N 0 0 317.230 3.983 10 0 DHAERN Cc1cc2c(cc(C(=O)NC3CC3)n2Cc2ccccc2)s1 ZINC000037526610 182904358 /nfs/dbraw/zinc/90/43/58/182904358.db2.gz VKUOWOVLLJBGOZ-UHFFFAOYSA-N 0 0 310.422 3.952 10 0 DHAERN O=C(Nc1cccc2n[nH]cc21)c1cccc(Br)c1 ZINC000037791047 182925803 /nfs/dbraw/zinc/92/58/03/182925803.db2.gz WPUQVGRYAPNDTM-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN O[C@@H]1CCCCC[C@H]1Nc1cc(Br)ccc1F ZINC000037891799 182934527 /nfs/dbraw/zinc/93/45/27/182934527.db2.gz SPPKZMMBNIMPJO-DGCLKSJQSA-N 0 0 302.187 3.694 10 0 DHAERN COC(=O)[C@@H](Nc1ccccc1)c1ccccc1Br ZINC000037954128 182942717 /nfs/dbraw/zinc/94/27/17/182942717.db2.gz UIGAKUHIRAEAPV-AWEZNQCLSA-N 0 0 320.186 3.775 10 0 DHAERN COC(=O)[C@](C)(CC(C)C)Nc1cccc(Br)c1 ZINC000037960830 182943429 /nfs/dbraw/zinc/94/34/29/182943429.db2.gz MCYFUGVNGGXABS-AWEZNQCLSA-N 0 0 314.223 3.839 10 0 DHAERN O=C(N[C@H]1CCc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000037979371 182950450 /nfs/dbraw/zinc/95/04/50/182950450.db2.gz NJEKKWWGOMYPSC-ZDUSSCGKSA-N 0 0 307.180 3.806 10 0 DHAERN CC[C@H](C)N[C@](C)(C(=O)OC)c1ccc(Cl)c(Cl)c1 ZINC000038067135 182985200 /nfs/dbraw/zinc/98/52/00/182985200.db2.gz SSLKJFMCSIWEJE-XPTSAGLGSA-N 0 0 304.217 3.770 10 0 DHAERN CCCC(=O)Nc1n[nH]c2cc(Br)c(Cl)cc21 ZINC000038781931 183009393 /nfs/dbraw/zinc/00/93/93/183009393.db2.gz YEVBHOBAVXHJHQ-UHFFFAOYSA-N 0 0 316.586 3.717 10 0 DHAERN COc1ccc(-c2nc3ccccc3n2CC(=O)OC(C)C)cc1 ZINC000040249810 183049295 /nfs/dbraw/zinc/04/92/95/183049295.db2.gz PNLCOOAWKQKBHB-UHFFFAOYSA-N 0 0 324.380 3.664 10 0 DHAERN CC(C)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C ZINC000040231371 183047784 /nfs/dbraw/zinc/04/77/84/183047784.db2.gz JGUAYZJYWHPVFA-UHFFFAOYSA-N 0 0 301.434 3.805 10 0 DHAERN Cc1ccccc1Cn1c(CNC(=O)C(C)C)nc2ccccc21 ZINC000040274684 183050562 /nfs/dbraw/zinc/05/05/62/183050562.db2.gz MTTIZZUHHIZSTH-UHFFFAOYSA-N 0 0 321.424 3.665 10 0 DHAERN Cc1cc2nc(CO)n(Cc3c(F)cccc3Cl)c2cc1C ZINC000040308839 183053258 /nfs/dbraw/zinc/05/32/58/183053258.db2.gz RLSVMBXSZRXUTE-UHFFFAOYSA-N 0 0 318.779 3.986 10 0 DHAERN CN(c1ccc2c(c1)OCO2)c1nc(Cl)nc2ccccc21 ZINC000040380118 183058820 /nfs/dbraw/zinc/05/88/20/183058820.db2.gz OTIJJBAELVCKPE-UHFFFAOYSA-N 0 0 313.744 3.780 10 0 DHAERN CNc1ncnc(Nc2cc(C(F)(F)F)ccc2Cl)c1N ZINC000040682390 183117056 /nfs/dbraw/zinc/11/70/56/183117056.db2.gz ZDWRAQVRSROPQU-UHFFFAOYSA-N 0 0 317.702 3.516 10 0 DHAERN Cc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1 ZINC000040687418 183117868 /nfs/dbraw/zinc/11/78/68/183117868.db2.gz JNMQOTUXHGAHBA-UHFFFAOYSA-N 0 0 318.380 3.854 10 0 DHAERN CCCNc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040707995 183121398 /nfs/dbraw/zinc/12/13/98/183121398.db2.gz BZBLHUVACKMEIJ-UHFFFAOYSA-N 0 0 311.414 3.580 10 0 DHAERN CCCNc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701703 183120209 /nfs/dbraw/zinc/12/02/09/183120209.db2.gz JWGRRQHWMKHBTN-UHFFFAOYSA-N 0 0 311.311 3.643 10 0 DHAERN CCCCOc1ccc(Nc2ncnc(NCCC)c2N)cc1 ZINC000040707691 183120787 /nfs/dbraw/zinc/12/07/87/183120787.db2.gz JYLKQRBBASTPSH-UHFFFAOYSA-N 0 0 315.421 3.803 10 0 DHAERN CCCCNc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040706491 183121087 /nfs/dbraw/zinc/12/10/87/183121087.db2.gz CZHFJQUBAQGHAH-UHFFFAOYSA-N 0 0 315.465 3.652 10 0 DHAERN COc1ccc(Nc2ncnc(Nc3ccccc3C)c2N)cc1 ZINC000040781167 183133281 /nfs/dbraw/zinc/13/32/81/183133281.db2.gz XYMDYQUCOPATEG-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN COc1ccc(Oc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782119 183133305 /nfs/dbraw/zinc/13/33/05/183133305.db2.gz PJIPQPKCUOEIGB-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(Nc2ccc(F)cc2)ncnc1OC1CCCCC1 ZINC000040782538 183133460 /nfs/dbraw/zinc/13/34/60/183133460.db2.gz OAYDDPFGBXFSJG-UHFFFAOYSA-N 0 0 302.353 3.653 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Oc1cccnc1 ZINC000040782188 183133958 /nfs/dbraw/zinc/13/39/58/183133958.db2.gz TXIMCTGLXYRNLG-UHFFFAOYSA-N 0 0 313.748 3.643 10 0 DHAERN CC(=O)c1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040782796 183133979 /nfs/dbraw/zinc/13/39/79/183133979.db2.gz UGVKBIDGBPWJCW-UHFFFAOYSA-N 0 0 320.352 3.797 10 0 DHAERN COc1ccc(Oc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040796179 183135290 /nfs/dbraw/zinc/13/52/90/183135290.db2.gz MVXMTBSXKWBBBA-UHFFFAOYSA-N 0 0 309.325 3.652 10 0 DHAERN CCc1ccc(Oc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040798904 183135383 /nfs/dbraw/zinc/13/53/83/183135383.db2.gz WTGJZMLGJLMIFF-UHFFFAOYSA-N 0 0 321.384 3.861 10 0 DHAERN CCN(CC)c1ncnc(Nc2cccc3ccccc32)c1N ZINC000040723200 183124986 /nfs/dbraw/zinc/12/49/86/183124986.db2.gz ODEPKJASLAFKQC-UHFFFAOYSA-N 0 0 307.401 3.802 10 0 DHAERN COc1ccc(Oc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040757950 183129391 /nfs/dbraw/zinc/12/93/91/183129391.db2.gz LOYFUXIXEQYVJI-UHFFFAOYSA-N 0 0 322.368 3.628 10 0 DHAERN Cc1cccc(Nc2[nH]cnc(=NNc3ccccc3)c2N)c1 ZINC000040757452 183129510 /nfs/dbraw/zinc/12/95/10/183129510.db2.gz KQFMYLMXDDCJIY-UHFFFAOYSA-N 0 0 306.373 3.550 10 0 DHAERN CCc1ccc(-c2csc(NC(C)=O)c2C(=O)OC)cc1 ZINC000040939152 183149546 /nfs/dbraw/zinc/14/95/46/183149546.db2.gz IQMCQXYCTIQOBH-UHFFFAOYSA-N 0 0 303.383 3.723 10 0 DHAERN COC(=O)c1cc(Oc2ccccc2Br)ccc1N ZINC000041080886 183164210 /nfs/dbraw/zinc/16/42/10/183164210.db2.gz AODRIEFSWZSGQA-UHFFFAOYSA-N 0 0 322.158 3.610 10 0 DHAERN Cc1nc(NC(=O)COc2cc(C)cc(C)c2C)sc1C ZINC000040875597 183145349 /nfs/dbraw/zinc/14/53/49/183145349.db2.gz QBROHSPENPKJFF-UHFFFAOYSA-N 0 0 304.415 3.703 10 0 DHAERN Cc1cc(Br)c2ncc(Br)c(N)c2c1 ZINC000041702466 183217494 /nfs/dbraw/zinc/21/74/94/183217494.db2.gz ZPJJCYAOCWRFQC-UHFFFAOYSA-N 0 0 315.996 3.650 10 0 DHAERN COc1ccc([C@H](O)c2sccc2C)cc1Br ZINC000042268170 183248195 /nfs/dbraw/zinc/24/81/95/183248195.db2.gz VGNSEJAKZHIHDG-LBPRGKRZSA-N 0 0 313.216 3.909 10 0 DHAERN CCCO[C@@H]1CCCN(Cc2ccc(Br)cc2)C1 ZINC000042424667 183268785 /nfs/dbraw/zinc/26/87/85/183268785.db2.gz UYSZBURFSWJHEL-OAHLLOKOSA-N 0 0 312.251 3.840 10 0 DHAERN CCC(CC)N(CCO)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000042506395 183277828 /nfs/dbraw/zinc/27/78/28/183277828.db2.gz JJLFCVLKPXVSIV-UHFFFAOYSA-N 0 0 304.217 3.617 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccc(N)cc1F ZINC000042361918 183257951 /nfs/dbraw/zinc/25/79/51/183257951.db2.gz SPQYAVFUSPECEE-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN CC(C)[C@@H](Sc1nncs1)C(=O)N[C@@H](C)c1ccccc1 ZINC000042987301 183326368 /nfs/dbraw/zinc/32/63/68/183326368.db2.gz NIHGZXVTVKCIMX-WCQYABFASA-N 0 0 321.471 3.532 10 0 DHAERN CCOC(=O)c1cnc2c(Cl)ccc(OC)c2c1Cl ZINC000043318064 183354309 /nfs/dbraw/zinc/35/43/09/183354309.db2.gz BTKKRYHEKFLLAB-UHFFFAOYSA-N 0 0 300.141 3.727 10 0 DHAERN CCOc1ccccc1[C@@H](C)n1nc(C)c(Br)c1N ZINC000043668230 183378132 /nfs/dbraw/zinc/37/81/32/183378132.db2.gz HNZPYFLKYMDXMJ-SNVBAGLBSA-N 0 0 324.222 3.544 10 0 DHAERN Nc1ccc(OCc2sccc2Br)cc1F ZINC000043674211 183378251 /nfs/dbraw/zinc/37/82/51/183378251.db2.gz NQBRYTQTEMQTQU-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN Cc1nn(Cc2ccc(C(C)C)cc2)c(N)c1Br ZINC000043668184 183378629 /nfs/dbraw/zinc/37/86/29/183378629.db2.gz LOKGZPRFINNDEH-UHFFFAOYSA-N 0 0 308.223 3.708 10 0 DHAERN Nc1ccc(SCc2cc(Br)cs2)nc1 ZINC000043687592 183381461 /nfs/dbraw/zinc/38/14/61/183381461.db2.gz ZNFQKWARRQMSOS-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN CC[C@H]1C(=O)N(c2ncc(C(F)(F)F)cc2Cl)N=C1C ZINC000104767650 194035866 /nfs/dbraw/zinc/03/58/66/194035866.db2.gz PTVYLXZFZPKQAB-MRVPVSSYSA-N 0 0 305.687 3.503 10 0 DHAERN Cc1cccnc1CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000105185817 194084382 /nfs/dbraw/zinc/08/43/82/194084382.db2.gz DCQHTBANWJZEAA-LLVKDONJSA-N 0 0 321.783 3.743 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc4ccccc4c3)C2)c1 ZINC000105856628 194147817 /nfs/dbraw/zinc/14/78/17/194147817.db2.gz UJGRRNYHNJUJBM-IBGZPJMESA-N 0 0 319.408 3.822 10 0 DHAERN CC[C@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1ccccc1 ZINC000105858819 194148391 /nfs/dbraw/zinc/14/83/91/194148391.db2.gz ZZIWJMASNKUAHW-MSOLQXFVSA-N 0 0 311.429 3.549 10 0 DHAERN CCn1cnnc1C1CCN([C@@H](C)c2c(F)cccc2F)CC1 ZINC000105930084 194172462 /nfs/dbraw/zinc/17/24/62/194172462.db2.gz MMYZZFRLZIBYDW-LBPRGKRZSA-N 0 0 320.387 3.517 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1Cc2ccccc2C1 ZINC000106258041 194192504 /nfs/dbraw/zinc/19/25/04/194192504.db2.gz SBBNUBMJJLKKRW-KBPBESRZSA-N 0 0 312.335 3.833 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000106736159 194247769 /nfs/dbraw/zinc/24/77/69/194247769.db2.gz NMPSUSFAEVLPHL-QWRGUYRKSA-N 0 0 319.348 3.802 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(F)c1F ZINC000054211296 183929515 /nfs/dbraw/zinc/92/95/15/183929515.db2.gz NHKJJOJAQNLMCY-RKDXNWHRSA-N 0 0 307.262 3.816 10 0 DHAERN O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(Br)cn1 ZINC000057625855 184042699 /nfs/dbraw/zinc/04/26/99/184042699.db2.gz XQEGNBMJHBZAPX-HBNTYKKESA-N 0 0 309.207 3.609 10 0 DHAERN CCN(CC)c1nc(Cl)nc(SC2CCCCC2)n1 ZINC000061544136 184174307 /nfs/dbraw/zinc/17/43/07/184174307.db2.gz YZFLOTINFOCKLJ-UHFFFAOYSA-N 0 0 300.859 3.796 10 0 DHAERN Nc1onc(C2CCOCC2)c1-c1cccc(Br)c1 ZINC000061673048 184181916 /nfs/dbraw/zinc/18/19/16/184181916.db2.gz QNCWZPHLGXIYQF-UHFFFAOYSA-N 0 0 323.190 3.580 10 0 DHAERN Nc1onc([C@H]2CCCOC2)c1-c1ccccc1Br ZINC000062238243 184224678 /nfs/dbraw/zinc/22/46/78/184224678.db2.gz HUDSZRROWONSKO-VIFPVBQESA-N 0 0 323.190 3.580 10 0 DHAERN COCc1c(Br)cccc1NCCc1cccnc1 ZINC000063222335 184279553 /nfs/dbraw/zinc/27/95/53/184279553.db2.gz LPYHNFWQJOFGKK-UHFFFAOYSA-N 0 0 321.218 3.645 10 0 DHAERN CCOC(=O)c1sc(COc2ccc(C)c(C)c2)nc1C ZINC000064872504 184305443 /nfs/dbraw/zinc/30/54/43/184305443.db2.gz OXGMXCBNDURJLD-UHFFFAOYSA-N 0 0 305.399 3.824 10 0 DHAERN CCC(=O)N1CCC[C@H](c2ccnc(Nc3ccc(C)cc3)n2)C1 ZINC000065148113 184311494 /nfs/dbraw/zinc/31/14/94/184311494.db2.gz WTXBTYPHVBEJFF-HNNXBMFYSA-N 0 0 324.428 3.645 10 0 DHAERN C[C@@H](NC(=O)c1cc(-c2ccncc2)cn1C)c1ccc(F)cc1 ZINC000065209748 184314458 /nfs/dbraw/zinc/31/44/58/184314458.db2.gz LPXZPFQSKOEFRW-CYBMUJFWSA-N 0 0 323.371 3.717 10 0 DHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000152302099 196803433 /nfs/dbraw/zinc/80/34/33/196803433.db2.gz PGHWRHQFKBYPAQ-UHFFFAOYSA-N 0 0 322.771 3.614 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3-c3ccccc3C2)O1 ZINC000151577350 196698802 /nfs/dbraw/zinc/69/88/02/196698802.db2.gz KYWFQSBJQJRVAI-KUHUBIRLSA-N 0 0 307.393 3.763 10 0 DHAERN CSc1ccc(-c2noc(C(F)(F)Br)n2)cc1 ZINC000040539785 256534116 /nfs/dbraw/zinc/53/41/16/256534116.db2.gz JUTLPBHGTJJQAL-UHFFFAOYSA-N 0 0 321.146 3.903 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3csc4ccccc34)CC[C@@H]2O1 ZINC000249686564 257107456 /nfs/dbraw/zinc/10/74/56/257107456.db2.gz GWPLVJCTZNQMJB-JMSVASOKSA-N 0 0 301.411 3.541 10 0 DHAERN Cc1cccc(C)c1[C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O ZINC000071790519 184841719 /nfs/dbraw/zinc/84/17/19/184841719.db2.gz SHSWKSSSSRERAF-CQSZACIVSA-N 0 0 303.402 3.597 10 0 DHAERN C[C@@H](N[C@@H](C)c1cc(Cl)sc1Cl)c1ncn(C)n1 ZINC000275624529 130350022 /nfs/dbraw/zinc/35/00/22/130350022.db2.gz AIPYPJIQYKDDFO-NKWVEPMBSA-N 0 0 305.234 3.595 10 0 DHAERN Cc1cc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)sc1Br ZINC000285873717 131206843 /nfs/dbraw/zinc/20/68/43/131206843.db2.gz JDAGXRRFAIECQX-AEJSXWLSSA-N 0 0 304.253 3.647 10 0 DHAERN C[C@@H]1CCCN(C(=O)C2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000010343238 134495351 /nfs/dbraw/zinc/49/53/51/134495351.db2.gz PBFAXFCIPPJGFI-CQSZACIVSA-N 0 0 320.864 3.815 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H]3CCCC3(C)C)C2)n1 ZINC000174979488 332871889 /nfs/dbraw/zinc/87/18/89/332871889.db2.gz NKOOFENEUZSMRP-UONOGXRCSA-N 0 0 321.490 3.919 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2c(F)cc(F)cc2F)cc1 ZINC000175300724 332884198 /nfs/dbraw/zinc/88/41/98/332884198.db2.gz WZYSMENYDKUKHP-VIFPVBQESA-N 0 0 309.287 3.855 10 0 DHAERN CC(C)C1(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000175574476 332896904 /nfs/dbraw/zinc/89/69/04/332896904.db2.gz MOFFCZCHHXKLMV-RYUDHWBXSA-N 0 0 306.372 3.843 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000046972869 331461484 /nfs/dbraw/zinc/46/14/84/331461484.db2.gz IOLYTMXZRGFMGX-MAZHCROVSA-N 0 0 322.836 3.754 10 0 DHAERN O=C(NCCCc1ccccc1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109078499 331509098 /nfs/dbraw/zinc/50/90/98/331509098.db2.gz YXAQRGYANRJOQD-CVEARBPZSA-N 0 0 315.363 3.817 10 0 DHAERN COC(=O)C1CCC(C(=O)NCC2(CC(C)C)CCCC2)CC1 ZINC000179521013 331526289 /nfs/dbraw/zinc/52/62/89/331526289.db2.gz PXZWGESVUZEPSG-UHFFFAOYSA-N 0 0 323.477 3.689 10 0 DHAERN Cc1cc2ccccc2nc1N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000186142380 332915037 /nfs/dbraw/zinc/91/50/37/332915037.db2.gz LYVKOKQXMYJVFJ-IRXDYDNUSA-N 0 0 324.449 3.817 10 0 DHAERN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)c1ccccc1N ZINC000037839772 331587856 /nfs/dbraw/zinc/58/78/56/331587856.db2.gz KPQVPAGVSRGQTJ-UHFFFAOYSA-N 0 0 309.196 3.848 10 0 DHAERN CC[C@@H](Nc1ncccc1I)C(C)C ZINC000306800690 331600202 /nfs/dbraw/zinc/60/02/02/331600202.db2.gz OZGORCOXJYYKJE-SNVBAGLBSA-N 0 0 304.175 3.533 10 0 DHAERN Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2ccccc2C)cc1 ZINC000186236335 332918763 /nfs/dbraw/zinc/91/87/63/332918763.db2.gz BXJKZCKANOIKRA-OAHLLOKOSA-N 0 0 303.427 3.578 10 0 DHAERN O=C(/C=C\c1ccccc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000255377913 331736410 /nfs/dbraw/zinc/73/64/10/331736410.db2.gz IMRANYQIJJQXDQ-HLRDLLSLSA-N 0 0 315.804 3.830 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/C=C\c1ccccc1 ZINC000255474195 331751590 /nfs/dbraw/zinc/75/15/90/331751590.db2.gz HQSHXPZRBOYJJX-CTXBLAANSA-N 0 0 317.429 3.669 10 0 DHAERN CCN(CC)C(=O)CCC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000176168449 332926073 /nfs/dbraw/zinc/92/60/73/332926073.db2.gz PCTGFVDMGMVRBS-HNNXBMFYSA-N 0 0 318.461 3.636 10 0 DHAERN O=C(NC/C=C\c1ccccc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000255827995 331805552 /nfs/dbraw/zinc/80/55/52/331805552.db2.gz MEQSFDADCAMOIU-CGXDKWGCSA-N 0 0 313.347 3.898 10 0 DHAERN COc1ccc([C@@H](C)NCc2ccncc2Cl)cc1OC ZINC000088781235 331816476 /nfs/dbraw/zinc/81/64/76/331816476.db2.gz WAOQNQCDAWNNHC-LLVKDONJSA-N 0 0 306.793 3.603 10 0 DHAERN C[C@H](NC(=O)N(Cc1ccc(Cl)cc1)C1CC1)[C@H]1CCCO1 ZINC000080010576 331973101 /nfs/dbraw/zinc/97/31/01/331973101.db2.gz ZNPZWXZFQFSAIR-BLLLJJGKSA-N 0 0 322.836 3.582 10 0 DHAERN CC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1C ZINC000089449494 332069535 /nfs/dbraw/zinc/06/95/35/332069535.db2.gz DLQUCRGZNBRTRG-GFCCVEGCSA-N 0 0 300.358 3.982 10 0 DHAERN Fc1cc(CN2CCO[C@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978703 332116440 /nfs/dbraw/zinc/11/64/40/332116440.db2.gz PZESPBWGPVAOQI-ZFWWWQNUSA-N 0 0 315.335 3.571 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)c1ccc(Cl)cc1F ZINC000133249804 332138822 /nfs/dbraw/zinc/13/88/22/332138822.db2.gz BZJUSPPUTWHPQM-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180868859 332142471 /nfs/dbraw/zinc/14/24/71/332142471.db2.gz HTGIKWOSNUKUSY-DZGCQCFKSA-N 0 0 317.429 3.803 10 0 DHAERN COc1ccc(F)cc1CNC(=O)N[C@@H](C)c1ccccc1C ZINC000187750322 332249308 /nfs/dbraw/zinc/24/93/08/332249308.db2.gz SBXMVFGYHJUHQA-ZDUSSCGKSA-N 0 0 316.376 3.703 10 0 DHAERN COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1N ZINC000048762276 332304913 /nfs/dbraw/zinc/30/49/13/332304913.db2.gz UKLRTXPHKNPKGR-UHFFFAOYSA-N 0 0 322.817 3.905 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)CSc2ccncc2)c2ccccc21 ZINC000125352691 332446534 /nfs/dbraw/zinc/44/65/34/332446534.db2.gz SPYDIKBXSYXGHQ-CXAGYDPISA-N 0 0 312.438 3.929 10 0 DHAERN Nc1ccc2c(c1)CCC[C@H]2Nc1cncc(Br)c1 ZINC000261575206 332467354 /nfs/dbraw/zinc/46/73/54/332467354.db2.gz YKJPCNJFHPXJNK-OAHLLOKOSA-N 0 0 318.218 3.916 10 0 DHAERN CC[C@H](C)OCC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000151471664 332580149 /nfs/dbraw/zinc/58/01/49/332580149.db2.gz XLLIQDKOMKBICC-VHSXEESVSA-N 0 0 304.217 3.986 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)C)cc1F ZINC000151480951 332581046 /nfs/dbraw/zinc/58/10/46/332581046.db2.gz JHFNOLAXUCGUFK-ZDUSSCGKSA-N 0 0 300.377 3.691 10 0 DHAERN COC[C@@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)C1CC1 ZINC000178605623 333016655 /nfs/dbraw/zinc/01/66/55/333016655.db2.gz ZJWPLRKCKFKUQF-CXAGYDPISA-N 0 0 304.434 3.595 10 0 DHAERN Cc1nc(CN[C@H](C)c2c(Cl)ccc(F)c2Cl)no1 ZINC000179539274 333025426 /nfs/dbraw/zinc/02/54/26/333025426.db2.gz ALWZNWKRLTXOTG-ZCFIWIBFSA-N 0 0 304.152 3.675 10 0 DHAERN CCCO[C@@H]1CCCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000171747098 333053841 /nfs/dbraw/zinc/05/38/41/333053841.db2.gz KHXBHDMMRWNNPL-ZIAGYGMSSA-N 0 0 310.463 3.800 10 0 DHAERN CC(C)(C)SCCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000179067149 333146030 /nfs/dbraw/zinc/14/60/30/333146030.db2.gz OIKACKIAWJRAIC-AWEZNQCLSA-N 0 0 307.459 3.938 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1cc2ccccc2o1 ZINC000187951521 333154497 /nfs/dbraw/zinc/15/44/97/333154497.db2.gz CTIWKTIGHPXFQF-SWLSCSKDSA-N 0 0 322.364 3.927 10 0 DHAERN CC(C)[C@@H](C)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000182190842 333183153 /nfs/dbraw/zinc/18/31/53/333183153.db2.gz ZPZZCJSNNKKDSM-OAHLLOKOSA-N 0 0 303.450 3.521 10 0 DHAERN CCc1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000021502271 333388472 /nfs/dbraw/zinc/38/84/72/333388472.db2.gz USTYXLHNZUSQOL-CYBMUJFWSA-N 0 0 303.427 3.826 10 0 DHAERN Nc1ccccc1NC(=O)CCCOc1ccccc1Cl ZINC000021518144 333388842 /nfs/dbraw/zinc/38/88/42/333388842.db2.gz BWZMTBQDSZGHIE-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)CC2CCCCC2)cc1OC ZINC000045381346 333399716 /nfs/dbraw/zinc/39/97/16/333399716.db2.gz HNZAPESTQUMTIH-CYBMUJFWSA-N 0 0 305.418 3.851 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000186607458 335162405 /nfs/dbraw/zinc/16/24/05/335162405.db2.gz UTARGKHLMIVFFQ-QYZOEREBSA-N 0 0 312.457 3.979 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)O1 ZINC000093168675 334085654 /nfs/dbraw/zinc/08/56/54/334085654.db2.gz INFMOSOYRKVRLU-BFUOFWGJSA-N 0 0 323.392 3.795 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2)C12CCCC2 ZINC000124698145 334345721 /nfs/dbraw/zinc/34/57/21/334345721.db2.gz BDKBVNHAUONJPI-HOTGVXAUSA-N 0 0 302.418 3.888 10 0 DHAERN C[C@H](N[C@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164817981 334669518 /nfs/dbraw/zinc/66/95/18/334669518.db2.gz NOZLNXWGBPQNOF-KSSFIOAISA-N 0 0 319.412 3.526 10 0 DHAERN CCc1cc2c(ncnc2N[C@H]2CCC(=O)NC23CCC3)s1 ZINC000328712007 334750218 /nfs/dbraw/zinc/75/02/18/334750218.db2.gz BKYZVPRYOJIICU-LBPRGKRZSA-N 0 0 316.430 3.707 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000188759061 334873654 /nfs/dbraw/zinc/87/36/54/334873654.db2.gz QUKULHOVHZMYML-VIFPVBQESA-N 0 0 323.751 3.684 10 0 DHAERN C[C@@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1cccs1 ZINC000189759285 334907511 /nfs/dbraw/zinc/90/75/11/334907511.db2.gz LPSCMVOEXIJDFZ-MNOVXSKESA-N 0 0 304.419 3.798 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccnc(Cl)c2)C1 ZINC000113281103 335655474 /nfs/dbraw/zinc/65/54/74/335655474.db2.gz QPZCZRRXDONFPB-LBPRGKRZSA-N 0 0 312.797 3.513 10 0 DHAERN CCCCCNC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113574699 335756090 /nfs/dbraw/zinc/75/60/90/335756090.db2.gz KTPXDDZSEQUMQA-ZDUSSCGKSA-N 0 0 309.479 3.785 10 0 DHAERN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000329880584 336092018 /nfs/dbraw/zinc/09/20/18/336092018.db2.gz NSURFUGCGRBTIV-PIIMJCKOSA-N 0 0 314.429 3.652 10 0 DHAERN CCSc1ccc(Cl)cc1NC(=O)C[C@@H](O)C(C)C ZINC000159044337 338516260 /nfs/dbraw/zinc/51/62/60/338516260.db2.gz RNMRWKOCXHCBJR-GFCCVEGCSA-N 0 0 301.839 3.798 10 0 DHAERN c1[nH]nc2c1[C@@H](c1nc(CCC3CCCCC3)no1)CCC2 ZINC000333220337 336200024 /nfs/dbraw/zinc/20/00/24/336200024.db2.gz RQVFPJDSIWSOED-ZDUSSCGKSA-N 0 0 300.406 3.774 10 0 DHAERN Cc1nc2c(nccc2C(=O)N[C@H]2CC[C@H](C)c3ccccc32)[nH]1 ZINC000333224601 336200081 /nfs/dbraw/zinc/20/00/81/336200081.db2.gz FMDPMIZUBGFQNS-ZBEGNZNMSA-N 0 0 320.396 3.635 10 0 DHAERN Cc1ccoc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000042238920 336239558 /nfs/dbraw/zinc/23/95/58/336239558.db2.gz XRMIAOBZRWTMHF-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN COC[C@@H](C)C(=O)N1CC[C@H](C)Sc2ccc(Cl)cc21 ZINC000103382977 336241173 /nfs/dbraw/zinc/24/11/73/336241173.db2.gz JVXHSQOFKZFVFH-MNOVXSKESA-N 0 0 313.850 3.840 10 0 DHAERN COC[C@H](C)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000103793908 336242431 /nfs/dbraw/zinc/24/24/31/336242431.db2.gz UNSKBNLMXXRHIY-ZDUSSCGKSA-N 0 0 309.837 3.894 10 0 DHAERN CCn1cc(NC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000043644583 336270186 /nfs/dbraw/zinc/27/01/86/336270186.db2.gz NOXIJZCELQFDRJ-CYBMUJFWSA-N 0 0 300.406 3.909 10 0 DHAERN C[C@H](NC(=O)COCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000104892727 336271591 /nfs/dbraw/zinc/27/15/91/336271591.db2.gz UBWMIEOMEHPQGM-INIZCTEOSA-N 0 0 323.436 3.959 10 0 DHAERN Cc1ccsc1[C@H]([NH2+][C@@H](C)CO)c1ccc(Cl)cc1F ZINC000182686386 336281002 /nfs/dbraw/zinc/28/10/02/336281002.db2.gz RTMUHJQPXLIERS-IINYFYTJSA-N 0 0 313.825 3.909 10 0 DHAERN O[C@H]1CCC[C@H](Nc2ccnc3c(Br)cccc23)C1 ZINC000301148672 336292150 /nfs/dbraw/zinc/29/21/50/336292150.db2.gz CALGAMQHRTXHGS-QWRGUYRKSA-N 0 0 321.218 3.713 10 0 DHAERN C[C@@H]1CN(c2ccnc3c(Br)cccc23)CCS1 ZINC000301192288 336294149 /nfs/dbraw/zinc/29/41/49/336294149.db2.gz MBBCUUPLDSIECO-SNVBAGLBSA-N 0 0 323.259 3.939 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2ccc(C)cc21 ZINC000301212369 336295183 /nfs/dbraw/zinc/29/51/83/336295183.db2.gz VJGPLRXAGHVKLV-QGZVFWFLSA-N 0 0 321.428 3.630 10 0 DHAERN C[C@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)ncn2)C1 ZINC000301250770 336296854 /nfs/dbraw/zinc/29/68/54/336296854.db2.gz PPWCWMVBAYIZRO-AWEZNQCLSA-N 0 0 321.428 3.806 10 0 DHAERN C[C@@H](Nc1ccc2nccnc2n1)c1ccc(F)cc1Cl ZINC000301282930 336298667 /nfs/dbraw/zinc/29/86/67/336298667.db2.gz PEQJFJPRSNSCCQ-SECBINFHSA-N 0 0 302.740 3.990 10 0 DHAERN O[C@H](CNc1ncnc2sc3c(c21)CCCC3)C1CCCC1 ZINC000301283157 336298670 /nfs/dbraw/zinc/29/86/70/336298670.db2.gz LLTFZPFDTXYTLT-CYBMUJFWSA-N 0 0 317.458 3.533 10 0 DHAERN CCO[C@H]1C[C@H](N(C)c2ccnc(C3CC3)n2)C12CCCC2 ZINC000301342220 336301626 /nfs/dbraw/zinc/30/16/26/336301626.db2.gz IKUUSKQRRICRCO-GJZGRUSLSA-N 0 0 301.434 3.528 10 0 DHAERN CCN(c1cc(C(F)(F)F)nc(-c2ccncc2)n1)C1CC1 ZINC000301364884 336302649 /nfs/dbraw/zinc/30/26/49/336302649.db2.gz RVXHZIBERIFORC-UHFFFAOYSA-N 0 0 308.307 3.546 10 0 DHAERN CSC(C)(C)CNc1nc(-c2ccncc2)nc2c1CCC2 ZINC000301412836 336305080 /nfs/dbraw/zinc/30/50/80/336305080.db2.gz AQMXBJHIMMAOLK-UHFFFAOYSA-N 0 0 314.458 3.581 10 0 DHAERN CC[C@@H](Nc1ncnc2cc(Cl)ccc21)c1noc(C)n1 ZINC000301470657 336308857 /nfs/dbraw/zinc/30/88/57/336308857.db2.gz JDTJCAQUQCZEQV-LLVKDONJSA-N 0 0 303.753 3.538 10 0 DHAERN C[C@@H](Cc1ccsc1)N(C)c1nccc(C(F)(F)F)n1 ZINC000301487142 336309866 /nfs/dbraw/zinc/30/98/66/336309866.db2.gz IGPKKIILTGNNLQ-VIFPVBQESA-N 0 0 301.337 3.624 10 0 DHAERN CC[C@H](CNc1ccc(SC)nn1)Oc1cccc(C)c1 ZINC000301521916 336312119 /nfs/dbraw/zinc/31/21/19/336312119.db2.gz DOWSYNDIXFBZEI-CYBMUJFWSA-N 0 0 303.431 3.776 10 0 DHAERN CSc1ccc(CN(C)c2c(F)c(F)nc(F)c2F)cc1 ZINC000301596195 336317240 /nfs/dbraw/zinc/31/72/40/336317240.db2.gz GBFKBGJLEYVTIS-UHFFFAOYSA-N 0 0 316.323 3.996 10 0 DHAERN Fc1nc(F)c(F)c(N2CC=C(c3cccs3)CC2)c1F ZINC000301613484 336318324 /nfs/dbraw/zinc/31/83/24/336318324.db2.gz TWZRCVFYZFINPO-UHFFFAOYSA-N 0 0 314.307 3.993 10 0 DHAERN Cn1c(CNc2ncnc3ccccc32)cc(Cl)c1Cl ZINC000301652742 336321035 /nfs/dbraw/zinc/32/10/35/336321035.db2.gz QSJMIRGHSMEBHW-UHFFFAOYSA-N 0 0 307.184 3.887 10 0 DHAERN c1ccc2c(c1)CCC[C@]21C[C@H]1CNc1ccc2nccnc2n1 ZINC000301653891 336321074 /nfs/dbraw/zinc/32/10/74/336321074.db2.gz RJHMUFUFMXJNPI-MGPUTAFESA-N 0 0 316.408 3.731 10 0 DHAERN COCc1nc(C)cc(NC[C@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000301664188 336321777 /nfs/dbraw/zinc/32/17/77/336321777.db2.gz VWLOBCARIBXRJX-UZLBHIALSA-N 0 0 323.440 3.638 10 0 DHAERN CCS[C@H]1CC[C@]1(O)CNc1cc(C)nc2c(F)cccc12 ZINC000301667866 336322191 /nfs/dbraw/zinc/32/21/91/336322191.db2.gz MJTHKMNZYIPFCN-RDJZCZTQSA-N 0 0 320.433 3.741 10 0 DHAERN C[C@](CO)(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000301675021 336322752 /nfs/dbraw/zinc/32/27/52/336322752.db2.gz PVSPUXVTQANZNF-CYBMUJFWSA-N 0 0 316.348 3.888 10 0 DHAERN Brc1ccc(CCNc2ncnc3ccccc32)o1 ZINC000301683168 336323253 /nfs/dbraw/zinc/32/32/53/336323253.db2.gz GXGFMPHELSCGPW-UHFFFAOYSA-N 0 0 318.174 3.640 10 0 DHAERN CCOC(=O)[C@@]1(C)CCN(c2cc3ccccc3c(Cl)n2)C1 ZINC000301769583 336328633 /nfs/dbraw/zinc/32/86/33/336328633.db2.gz OUINSIOUCFGMQP-KRWDZBQOSA-N 0 0 318.804 3.668 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000301772765 336328757 /nfs/dbraw/zinc/32/87/57/336328757.db2.gz KCCITVZRSSZMIV-CABCVRRESA-N 0 0 301.365 3.652 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000301781079 336329406 /nfs/dbraw/zinc/32/94/06/336329406.db2.gz NNJYACFLWVBWTG-GHMZBOCLSA-N 0 0 307.344 3.937 10 0 DHAERN CN(CCC1CC1)c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000301792504 336330236 /nfs/dbraw/zinc/33/02/36/336330236.db2.gz RSUAXAJPFALJFV-UHFFFAOYSA-N 0 0 322.334 3.794 10 0 DHAERN CCOC(=O)[C@@]1(C)CCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000301799889 336330680 /nfs/dbraw/zinc/33/06/80/336330680.db2.gz ZZYDEBUAFHMREB-KRWDZBQOSA-N 0 0 318.804 3.668 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000301800944 336330998 /nfs/dbraw/zinc/33/09/98/336330998.db2.gz WGPLGBJMDYGSFP-STQMWFEESA-N 0 0 307.781 3.760 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000301800943 336331036 /nfs/dbraw/zinc/33/10/36/336331036.db2.gz WGPLGBJMDYGSFP-QWHCGFSZSA-N 0 0 307.781 3.760 10 0 DHAERN O[C@H](C[C@@H]1CCCN1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000301897977 336337014 /nfs/dbraw/zinc/33/70/14/336337014.db2.gz WIIYGFPDYDVQJK-MAUKXSAKSA-N 0 0 307.397 3.655 10 0 DHAERN COC(=O)c1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc1C ZINC000301937466 336338932 /nfs/dbraw/zinc/33/89/32/336338932.db2.gz RWNBKZLHEGOPEN-GHMZBOCLSA-N 0 0 316.323 3.710 10 0 DHAERN CC(C)c1nsc(N2C[C@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000301958286 336340033 /nfs/dbraw/zinc/34/00/33/336340033.db2.gz OIBSURHEPXQCGH-GXTWGEPZSA-N 0 0 303.431 3.628 10 0 DHAERN c1ccc([C@H]2OCC[C@H]2Nc2nnc(-c3ccccn3)s2)cc1 ZINC000302040120 336344832 /nfs/dbraw/zinc/34/48/32/336344832.db2.gz RBJYWTWZJQZWJB-UKRRQHHQSA-N 0 0 324.409 3.542 10 0 DHAERN CCc1cc(N2CCC(Nc3ccccc3F)CC2)nc(C)n1 ZINC000302055294 336345965 /nfs/dbraw/zinc/34/59/65/336345965.db2.gz ABOBNSMKJCHDAK-UHFFFAOYSA-N 0 0 314.408 3.567 10 0 DHAERN Cc1nc2c(c(N[C@H]3CCO[C@@H]3c3ccccc3)n1)CCCC2 ZINC000302123217 336349610 /nfs/dbraw/zinc/34/96/10/336349610.db2.gz YSEXVNCATDKDBB-ZWKOTPCHSA-N 0 0 309.413 3.606 10 0 DHAERN Cc1nc2c(c(N[C@H]3CCOC4(CCCC4)C3)n1)CCCC2 ZINC000302124002 336349631 /nfs/dbraw/zinc/34/96/31/336349631.db2.gz ZBAMYTMJZRQFHK-AWEZNQCLSA-N 0 0 301.434 3.568 10 0 DHAERN C[C@](O)(CNc1nc2cc(F)ccc2o1)c1cccc(Cl)c1 ZINC000302187090 336353122 /nfs/dbraw/zinc/35/31/22/336353122.db2.gz VXULEXHEXJPSFP-INIZCTEOSA-N 0 0 320.751 3.940 10 0 DHAERN Cc1csc2nc(C)nc(N3CC[C@@H](OCCC(C)C)C3)c12 ZINC000302275784 336356604 /nfs/dbraw/zinc/35/66/04/336356604.db2.gz INAXMVIJTZOPNO-CQSZACIVSA-N 0 0 319.474 3.950 10 0 DHAERN COC(=O)c1ccc(N[C@H](C)c2ccc(Cl)cc2)nc1OC ZINC000302308920 336357009 /nfs/dbraw/zinc/35/70/09/336357009.db2.gz OPSXHFYBNYCKOX-SNVBAGLBSA-N 0 0 320.776 3.703 10 0 DHAERN CCc1cc(=O)n2nc(NCC[C@@H](C)CC(C)(C)C)sc2n1 ZINC000302518269 336360713 /nfs/dbraw/zinc/36/07/13/336360713.db2.gz AMLIXOAFJANESF-LLVKDONJSA-N 0 0 322.478 3.588 10 0 DHAERN C[C@](O)(CNc1ccnc2c(F)cc(F)cc12)c1ccccc1 ZINC000302558992 336361672 /nfs/dbraw/zinc/36/16/72/336361672.db2.gz ZFZQMLPZZRIHDQ-SFHVURJKSA-N 0 0 314.335 3.833 10 0 DHAERN CC(C)(C)[C@@H]1CCC[C@H](Nc2nn3c(nccc3=O)s2)CC1 ZINC000302569080 336361897 /nfs/dbraw/zinc/36/18/97/336361897.db2.gz XYYZZMSLJIVCOX-NEPJUHHUSA-N 0 0 320.462 3.558 10 0 DHAERN Clc1cncnc1N[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000302608232 336362596 /nfs/dbraw/zinc/36/25/96/336362596.db2.gz DMENVHXCOHHTTH-PWSUYJOCSA-N 0 0 324.609 3.861 10 0 DHAERN Cc1cc2c(ccnc2N2CCC[C@@H]2c2noc(C(C)C)n2)o1 ZINC000302698155 336365384 /nfs/dbraw/zinc/36/53/84/336365384.db2.gz AMHACBOQNWCXDN-CYBMUJFWSA-N 0 0 312.373 3.984 10 0 DHAERN COc1nc(C)nc(N[C@H](C)c2csc(C(C)C)n2)c1C ZINC000302706290 336365790 /nfs/dbraw/zinc/36/57/90/336365790.db2.gz CKKHHTCMUHEOBC-SNVBAGLBSA-N 0 0 306.435 3.855 10 0 DHAERN Cc1ccc(Oc2ccc(S(=O)(=O)C(F)F)cc2)cc1F ZINC000302867778 336372492 /nfs/dbraw/zinc/37/24/92/336372492.db2.gz WPOHTSVTENDONW-UHFFFAOYSA-N 0 0 316.300 3.923 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)NC(C)(c2ccccc2)c2ccccc2)O1 ZINC000152461607 336387966 /nfs/dbraw/zinc/38/79/66/336387966.db2.gz QCDJWCADOHEIHM-CRAIPNDOSA-N 0 0 309.409 3.634 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)CC3CCCC3)C2)c1 ZINC000114331120 336553876 /nfs/dbraw/zinc/55/38/76/336553876.db2.gz XILCDBONHZETJO-NVXWUHKLSA-N 0 0 303.450 3.571 10 0 DHAERN CCc1noc([C@@H](C)N[C@H](C)c2cccc(Br)c2)n1 ZINC000114746921 336670614 /nfs/dbraw/zinc/67/06/14/336670614.db2.gz OHHDCOYTFDUCBR-NXEZZACHSA-N 0 0 324.222 3.806 10 0 DHAERN O=C(C[C@H]1OCCc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116040120 336830318 /nfs/dbraw/zinc/83/03/18/336830318.db2.gz GFLCSZXNIUCQGL-FUHWJXTLSA-N 0 0 311.381 3.647 10 0 DHAERN O=C(Nc1ccccc1-n1cccn1)N1CCC[C@H]1c1ccco1 ZINC000116485397 336840611 /nfs/dbraw/zinc/84/06/11/336840611.db2.gz VDVUVIJLXBNEBM-INIZCTEOSA-N 0 0 322.368 3.834 10 0 DHAERN COc1c(F)cc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000116489446 336840793 /nfs/dbraw/zinc/84/07/93/336840793.db2.gz ATNAKXRIHYYLAP-CYBMUJFWSA-N 0 0 322.311 3.935 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000117257150 336853619 /nfs/dbraw/zinc/85/36/19/336853619.db2.gz VJYJVTBGZMFLIR-ZIAGYGMSSA-N 0 0 310.463 3.650 10 0 DHAERN CCCC(O)(CCC)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000119058059 336878363 /nfs/dbraw/zinc/87/83/63/336878363.db2.gz CXPLMJCVZYDDIR-CQSZACIVSA-N 0 0 324.490 3.918 10 0 DHAERN CCC[C@H](C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C(C)C ZINC000121914051 336986405 /nfs/dbraw/zinc/98/64/05/336986405.db2.gz MHSASRQUWYZBKF-HOTGVXAUSA-N 0 0 305.466 3.773 10 0 DHAERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1c(C)noc1C ZINC000122406116 337008117 /nfs/dbraw/zinc/00/81/17/337008117.db2.gz IQZWHJJOUNNGDR-GWCFXTLKSA-N 0 0 305.378 3.704 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CC3(C)CCCCC3)C2)c1 ZINC000123003964 337033797 /nfs/dbraw/zinc/03/37/97/337033797.db2.gz LSVXBEXRCBCSHC-MRXNPFEDSA-N 0 0 303.450 3.716 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2)cs1 ZINC000170497079 337083309 /nfs/dbraw/zinc/08/33/09/337083309.db2.gz OHBISNMKXRWPCD-SNVBAGLBSA-N 0 0 308.834 3.915 10 0 DHAERN C[C@H](C(=O)Nc1c(F)cccc1F)N1CCC[C@@H]1c1ccco1 ZINC000172029917 337090992 /nfs/dbraw/zinc/09/09/92/337090992.db2.gz SESOXJKMOZQUJT-BXUZGUMPSA-N 0 0 320.339 3.722 10 0 DHAERN C[C@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccs1 ZINC000172035744 337090995 /nfs/dbraw/zinc/09/09/95/337090995.db2.gz UETBRFCAWMREAS-QWHCGFSZSA-N 0 0 301.411 3.882 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593989 337130146 /nfs/dbraw/zinc/13/01/46/337130146.db2.gz JTBRKYHTKMWNKD-QWHCGFSZSA-N 0 0 304.365 3.713 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879898 337131727 /nfs/dbraw/zinc/13/17/27/337131727.db2.gz BXELQDUPHNHXFC-OLZOCXBDSA-N 0 0 320.820 3.597 10 0 DHAERN CCc1cnc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000173059517 337131776 /nfs/dbraw/zinc/13/17/76/337131776.db2.gz WDHKYAWFDKHZFB-GHMZBOCLSA-N 0 0 308.353 3.726 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000172907287 337132337 /nfs/dbraw/zinc/13/23/37/337132337.db2.gz HMXQNOBBGKXPNB-KRWDZBQOSA-N 0 0 317.477 3.970 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000172965206 337132648 /nfs/dbraw/zinc/13/26/48/337132648.db2.gz NXHVHWDUXQNOFG-CQSZACIVSA-N 0 0 309.365 3.768 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cn(C)c2ccccc12 ZINC000172972619 337132652 /nfs/dbraw/zinc/13/26/52/337132652.db2.gz LDQXCCILFLBASP-HNNXBMFYSA-N 0 0 322.408 3.513 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cn(C)c2ccccc12 ZINC000172972626 337132657 /nfs/dbraw/zinc/13/26/57/337132657.db2.gz LDQXCCILFLBASP-OAHLLOKOSA-N 0 0 322.408 3.513 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000172975395 337132692 /nfs/dbraw/zinc/13/26/92/337132692.db2.gz HOZPPEDVCZGBQO-ZBFHGGJFSA-N 0 0 321.465 3.766 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC2(O)CCCC2)o1 ZINC000173192099 337133533 /nfs/dbraw/zinc/13/35/33/337133533.db2.gz TZYPKOWMRPIOCV-OAHLLOKOSA-N 0 0 305.418 3.591 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C)ccc3F)C2)n1 ZINC000173417194 337135231 /nfs/dbraw/zinc/13/52/31/337135231.db2.gz QEGSSGJHKAHNMR-ZDUSSCGKSA-N 0 0 318.417 3.919 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 ZINC000173416257 337135265 /nfs/dbraw/zinc/13/52/65/337135265.db2.gz LLJMZPUAFOISMN-AWEZNQCLSA-N 0 0 318.417 3.919 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 ZINC000173475596 337135388 /nfs/dbraw/zinc/13/53/88/337135388.db2.gz XFCQQIWPQKJBGM-HNNXBMFYSA-N 0 0 315.442 3.541 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC(C3CC3)C3CC3)C2)n1 ZINC000173480719 337135614 /nfs/dbraw/zinc/13/56/14/337135614.db2.gz CIVWDKALXTWAPH-CQSZACIVSA-N 0 0 319.474 3.529 10 0 DHAERN CN(C)c1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000173602089 337136738 /nfs/dbraw/zinc/13/67/38/337136738.db2.gz NVYCGXQQNYPXJM-INIZCTEOSA-N 0 0 301.459 3.936 10 0 DHAERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621593 337136862 /nfs/dbraw/zinc/13/68/62/337136862.db2.gz KMGXMIHIZRSLRL-XHDPSFHLSA-N 0 0 320.387 3.695 10 0 DHAERN C[C@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627563 337136964 /nfs/dbraw/zinc/13/69/64/337136964.db2.gz HKCFKYBAQIVAFM-QWRGUYRKSA-N 0 0 322.815 3.819 10 0 DHAERN CC(C)CO[C@H](C)c1noc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000173895201 337138838 /nfs/dbraw/zinc/13/88/38/337138838.db2.gz KBYHNHAAOYAOLQ-ZIAGYGMSSA-N 0 0 319.405 3.733 10 0 DHAERN Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1COc2ccccc21 ZINC000174380286 337141341 /nfs/dbraw/zinc/14/13/41/337141341.db2.gz BEVXHYGOKWTYMH-HNNXBMFYSA-N 0 0 320.348 3.514 10 0 DHAERN Cc1cccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)c1Cl ZINC000174924723 337143697 /nfs/dbraw/zinc/14/36/97/337143697.db2.gz HXSAFQYPXBUJSD-AWEZNQCLSA-N 0 0 318.808 3.751 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H](C)C3CCCC3)C2)n1 ZINC000174920312 337143711 /nfs/dbraw/zinc/14/37/11/337143711.db2.gz OJLLBVHOWLUKDE-DZGCQCFKSA-N 0 0 321.490 3.919 10 0 DHAERN CCC[C@H](C)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174981017 337143970 /nfs/dbraw/zinc/14/39/70/337143970.db2.gz RMBOTHVCSLXXEA-LBPRGKRZSA-N 0 0 305.422 3.659 10 0 DHAERN CN(Cc1cc2ccccc2o1)C(=O)N[C@H]1COc2ccccc21 ZINC000175405575 337145841 /nfs/dbraw/zinc/14/58/41/337145841.db2.gz SSMCAAFANAOGCF-INIZCTEOSA-N 0 0 322.364 3.708 10 0 DHAERN Cc1ccc(/C=C/CC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000176642049 337152535 /nfs/dbraw/zinc/15/25/35/337152535.db2.gz XMTSJXKYMFXBHS-WRFKIARRSA-N 0 0 309.413 3.875 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCCC1CCCCC1 ZINC000177190988 337154745 /nfs/dbraw/zinc/15/47/45/337154745.db2.gz NGODJBYBGCJTQS-GOSISDBHSA-N 0 0 317.477 3.933 10 0 DHAERN C[C@@H](N[C@@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461291 337156143 /nfs/dbraw/zinc/15/61/43/337156143.db2.gz BHMKCNFXGQYMGL-RHSMWYFYSA-N 0 0 310.445 3.733 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCC2(C)CCCC2)no1 ZINC000177507183 337156328 /nfs/dbraw/zinc/15/63/28/337156328.db2.gz MHGLGWDQMXWUQK-ZDUSSCGKSA-N 0 0 320.437 3.620 10 0 DHAERN Cn1ncc2c1CCC[C@@H]2N[C@H](c1ccccc1)c1cccnc1 ZINC000178614943 337165598 /nfs/dbraw/zinc/16/55/98/337165598.db2.gz JQXWIVVFWOXUDV-AZUAARDMSA-N 0 0 318.424 3.572 10 0 DHAERN Cc1cnc([C@H](C)NCc2cc(Br)cs2)o1 ZINC000220910405 337167175 /nfs/dbraw/zinc/16/71/75/337167175.db2.gz GOSMSBLTLVOIPT-QMMMGPOBSA-N 0 0 301.209 3.658 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)o1 ZINC000179130242 337167889 /nfs/dbraw/zinc/16/78/89/337167889.db2.gz WAILMGUDUWPUIJ-IPYPFGDCSA-N 0 0 314.385 3.513 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180116883 337171533 /nfs/dbraw/zinc/17/15/33/337171533.db2.gz PIWYIGMWXUOETO-SMDDNHRTSA-N 0 0 308.491 3.881 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000180472065 337174921 /nfs/dbraw/zinc/17/49/21/337174921.db2.gz AYKCBZJGWRWYQA-DLBZAZTESA-N 0 0 305.466 3.962 10 0 DHAERN COCc1ccsc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000180205833 337175192 /nfs/dbraw/zinc/17/51/92/337175192.db2.gz CTGILSQYDFXYDY-MNOVXSKESA-N 0 0 321.364 3.745 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CCC(c3cc[nH]n3)CC2)cc1C ZINC000180828137 337178002 /nfs/dbraw/zinc/17/80/02/337178002.db2.gz YADNLWZUXZYXLE-UHFFFAOYSA-N 0 0 317.820 3.700 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCc1ccsc1)[C@@H](C)C2 ZINC000180960498 337178907 /nfs/dbraw/zinc/17/89/07/337178907.db2.gz DRYYHDBOLVQIAQ-LRDDRELGSA-N 0 0 300.427 3.789 10 0 DHAERN Cc1noc2ncc(C(=O)N[C@H]3c4cc(C)ccc4C[C@H]3C)cc12 ZINC000181242215 337180604 /nfs/dbraw/zinc/18/06/04/337180604.db2.gz KXBBARHDRNSIOV-PIGZYNQJSA-N 0 0 321.380 3.503 10 0 DHAERN Cn1ncc2c1CCC[C@@H]2N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000181255405 337180745 /nfs/dbraw/zinc/18/07/45/337180745.db2.gz ZVJGGKZBDJQSFV-AAEUAGOBSA-N 0 0 303.372 3.754 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376429 337181653 /nfs/dbraw/zinc/18/16/53/337181653.db2.gz JHKABUQDANXPBJ-HNNXBMFYSA-N 0 0 314.433 3.711 10 0 DHAERN Cc1ccc([C@H]2CCCCN2Cc2nnc(C3CCC3)n2C)o1 ZINC000181376443 337181776 /nfs/dbraw/zinc/18/17/76/337181776.db2.gz JHKABUQDANXPBJ-OAHLLOKOSA-N 0 0 314.433 3.711 10 0 DHAERN C[C@H](NCc1nnc(C2CCC2)n1C)c1ccc(F)c(Cl)c1 ZINC000181714240 337183833 /nfs/dbraw/zinc/18/38/33/337183833.db2.gz UEOOVRIVUBFHRH-JTQLQIEISA-N 0 0 322.815 3.726 10 0 DHAERN CO[C@H](C)CCC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000181702640 337183883 /nfs/dbraw/zinc/18/38/83/337183883.db2.gz SQQFPDWDGXYAOO-CABCVRRESA-N 0 0 307.434 3.714 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000181863841 337185021 /nfs/dbraw/zinc/18/50/21/337185021.db2.gz CUNJCUFSVUPVGD-OLZOCXBDSA-N 0 0 324.387 3.612 10 0 DHAERN COCCC1(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CCC1 ZINC000182215510 337187325 /nfs/dbraw/zinc/18/73/25/337187325.db2.gz PJMOUYBHEVSEPO-RHSMWYFYSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H](N[C@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931465 337190739 /nfs/dbraw/zinc/19/07/39/337190739.db2.gz MKAODLILIXWWBB-WMLDXEAASA-N 0 0 308.381 3.726 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC(C)(C)C1 ZINC000183532086 337192205 /nfs/dbraw/zinc/19/22/05/337192205.db2.gz QGISDGZHQQIALX-QLFBSQMISA-N 0 0 303.450 3.926 10 0 DHAERN Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H](C)CC(C)(C)C3)CC2)n1 ZINC000183274446 337192817 /nfs/dbraw/zinc/19/28/17/337192817.db2.gz WYPGBHFYZJWZML-IUODEOHRSA-N 0 0 319.449 3.546 10 0 DHAERN Cc1cnc([C@H](C)Nc2ncc(Cl)cc2Br)o1 ZINC000225827324 337194498 /nfs/dbraw/zinc/19/44/98/337194498.db2.gz CGLXCHGSRBLWLN-ZETCQYMHSA-N 0 0 316.586 3.967 10 0 DHAERN CCc1nnc(CN2CCc3c2cccc3-c2ccccc2)n1C ZINC000184517125 337198324 /nfs/dbraw/zinc/19/83/24/337198324.db2.gz FVJZASOUNARSKE-UHFFFAOYSA-N 0 0 318.424 3.607 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2cc(Br)ccc2C)o1 ZINC000226613657 337199899 /nfs/dbraw/zinc/19/98/99/337199899.db2.gz CVYVXHDJIYQGJA-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3c(C)oc4ccccc43)C2)c1 ZINC000185528952 337248751 /nfs/dbraw/zinc/24/87/51/337248751.db2.gz GLJYYBQYEUGSPM-HNNXBMFYSA-N 0 0 323.396 3.723 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n1 ZINC000186037591 337253140 /nfs/dbraw/zinc/25/31/40/337253140.db2.gz TYQOESJPPABHQY-KCPJHIHWSA-N 0 0 306.475 3.888 10 0 DHAERN C[C@@H](NC(=O)c1ccnc2ccncc21)c1ccc(Cl)cc1 ZINC000186746086 337259223 /nfs/dbraw/zinc/25/92/23/337259223.db2.gz NCPLVQMQXBMJPM-LLVKDONJSA-N 0 0 311.772 3.774 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)o1 ZINC000187466657 337266093 /nfs/dbraw/zinc/26/60/93/337266093.db2.gz KKWOCEJCURCKLF-AWEZNQCLSA-N 0 0 310.397 3.906 10 0 DHAERN Cc1cc(C)c(NC(=O)[C@H]2CC[C@H](C)O2)cc1Br ZINC000187592673 337267007 /nfs/dbraw/zinc/26/70/07/337267007.db2.gz QASLHTHAAJGTTP-GXFFZTMASA-N 0 0 312.207 3.572 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000188055204 337270349 /nfs/dbraw/zinc/27/03/49/337270349.db2.gz UMMBRTLWAAYCMV-WMLDXEAASA-N 0 0 305.418 3.756 10 0 DHAERN O=C(c1csc(C(F)(F)F)n1)N1CCC[C@H]1c1ccco1 ZINC000189033545 337276488 /nfs/dbraw/zinc/27/64/88/337276488.db2.gz BDOKTGDMJKJCOC-VIFPVBQESA-N 0 0 316.304 3.732 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000188957342 337276887 /nfs/dbraw/zinc/27/68/87/337276887.db2.gz HUDWGBVQYMHXIU-YGRLFVJLSA-N 0 0 316.228 3.767 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(Br)c(C)c2)o1 ZINC000231525808 337277312 /nfs/dbraw/zinc/27/73/12/337277312.db2.gz OIPHQSDWGORLJP-NSHDSACASA-N 0 0 309.207 3.905 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000190076094 337284363 /nfs/dbraw/zinc/28/43/63/337284363.db2.gz QLVKOQKLOOSENV-QAPCUYQASA-N 0 0 301.430 3.630 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000191698639 337300623 /nfs/dbraw/zinc/30/06/23/337300623.db2.gz ZWYCECUUGIBQMA-NEPJUHHUSA-N 0 0 307.356 3.619 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113920 337308376 /nfs/dbraw/zinc/30/83/76/337308376.db2.gz DRPQQZXZJMJSSD-GJZGRUSLSA-N 0 0 304.434 3.634 10 0 DHAERN CCn1ncnc1CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000193478264 337326712 /nfs/dbraw/zinc/32/67/12/337326712.db2.gz IPXSBGIDAQKJPE-MRVPVSSYSA-N 0 0 317.195 3.595 10 0 DHAERN CCOP(=O)(OCC)[C@@H](O)c1ccccc1Br ZINC000584602438 337371048 /nfs/dbraw/zinc/37/10/48/337371048.db2.gz VNBHBEOSJRDJJB-LLVKDONJSA-N 0 0 323.123 3.706 10 0 DHAERN CCOP(=O)(OCC)C(F)(F)c1ccc2c(c1)OCO2 ZINC000584602433 337371096 /nfs/dbraw/zinc/37/10/96/337371096.db2.gz UWBWUHRBAVKADU-UHFFFAOYSA-N 0 0 308.217 3.731 10 0 DHAERN O=C(c1ccnc(F)c1)N1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000584606303 337371630 /nfs/dbraw/zinc/37/16/30/337371630.db2.gz RWAQZNHMALZNGA-CQSZACIVSA-N 0 0 318.779 3.894 10 0 DHAERN O=C(c1ccc2cnccc2n1)N1CCC[C@H]1c1ccccc1 ZINC000584606292 337371685 /nfs/dbraw/zinc/37/16/85/337371685.db2.gz RQWARHKTUBTPSY-SFHVURJKSA-N 0 0 303.365 3.607 10 0 DHAERN Fc1ccc(CCn2cncc2-c2ccnc3cnccc32)cc1 ZINC000584615959 337372870 /nfs/dbraw/zinc/37/28/70/337372870.db2.gz GVMDLIKIUQNZFA-UHFFFAOYSA-N 0 0 318.355 3.875 10 0 DHAERN Fc1ccc([C@@H]2CNN=C2c2cccc(C(F)(F)F)c2)cc1 ZINC000584619519 337373919 /nfs/dbraw/zinc/37/39/19/337373919.db2.gz SRBXWSLAQMSDIS-AWEZNQCLSA-N 0 0 308.278 3.936 10 0 DHAERN C[C@H](O)c1c(F)cc(Br)cc1OC1CCCC1 ZINC000584595969 337374046 /nfs/dbraw/zinc/37/40/46/337374046.db2.gz DXGTVFROTHWRLV-QMMMGPOBSA-N 0 0 303.171 3.963 10 0 DHAERN O=C1CN[C@@H](c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000584626345 337376033 /nfs/dbraw/zinc/37/60/33/337376033.db2.gz KSWGQXITGWEKMO-HNNXBMFYSA-N 0 0 307.180 3.625 10 0 DHAERN O=C1CN[C@H](c2ccccc2Cl)c2cc(Cl)ccc2N1 ZINC000584626347 337376058 /nfs/dbraw/zinc/37/60/58/337376058.db2.gz KSWGQXITGWEKMO-OAHLLOKOSA-N 0 0 307.180 3.625 10 0 DHAERN CO[C@@H]1C[C@H]2C3=CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 ZINC000584630691 337376823 /nfs/dbraw/zinc/37/68/23/337376823.db2.gz YHZTVEPLMSBZML-IYKUGCPDSA-N 0 0 302.458 3.935 10 0 DHAERN CCC(CC)NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584631816 337377090 /nfs/dbraw/zinc/37/70/90/337377090.db2.gz BWTCJDPYRZXBNM-UHFFFAOYSA-N 0 0 302.349 3.512 10 0 DHAERN CC[C@H](C)CNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584632853 337377353 /nfs/dbraw/zinc/37/73/53/337377353.db2.gz PWDPNSLDXRGYCP-NSHDSACASA-N 0 0 318.804 3.884 10 0 DHAERN O[C@H](c1ccccn1)c1cc(C(F)(F)F)nc2ccc(F)cc21 ZINC000584637418 337379420 /nfs/dbraw/zinc/37/94/20/337379420.db2.gz MGEDNTJMPVUVQE-HNNXBMFYSA-N 0 0 322.261 3.869 10 0 DHAERN CN(C(=O)Nc1cccc(Cl)c1)c1nc2ccccc2[nH]1 ZINC000584649938 337380686 /nfs/dbraw/zinc/38/06/86/337380686.db2.gz CCDWLDOPLIWIIA-UHFFFAOYSA-N 0 0 300.749 3.885 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 ZINC000105846348 337386891 /nfs/dbraw/zinc/38/68/91/337386891.db2.gz DYCLMBVNEYUKAZ-OAHLLOKOSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1 ZINC000109686473 337388552 /nfs/dbraw/zinc/38/85/52/337388552.db2.gz LMMNGNWJFIGQHE-QGZVFWFLSA-N 0 0 303.450 3.716 10 0 DHAERN CCCCCCOCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000115365037 337392089 /nfs/dbraw/zinc/39/20/89/337392089.db2.gz BFYOOEDFKPSJSD-AWEZNQCLSA-N 0 0 310.463 3.794 10 0 DHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@H]1c1ccco1 ZINC000116045530 337392241 /nfs/dbraw/zinc/39/22/41/337392241.db2.gz WTUNTCWXWHNNBF-AWEZNQCLSA-N 0 0 305.761 3.676 10 0 DHAERN O=C(CCCOc1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116046166 337392247 /nfs/dbraw/zinc/39/22/47/337392247.db2.gz MGZKMMADRFLLMP-MRXNPFEDSA-N 0 0 317.360 3.941 10 0 DHAERN O=C(CCc1cccc(F)c1F)N1CCC[C@@H]1c1ccco1 ZINC000116045695 337392271 /nfs/dbraw/zinc/39/22/71/337392271.db2.gz HUXBKNYZUUPGPE-CQSZACIVSA-N 0 0 305.324 3.854 10 0 DHAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041037 337392286 /nfs/dbraw/zinc/39/22/86/337392286.db2.gz DDNZWDPMILFTEJ-OAHLLOKOSA-N 0 0 317.360 3.940 10 0 DHAERN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1ccco1 ZINC000116046151 337392308 /nfs/dbraw/zinc/39/23/08/337392308.db2.gz DTBHPBOFGJFVLS-NSHDSACASA-N 0 0 310.275 3.671 10 0 DHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116116614 337392403 /nfs/dbraw/zinc/39/24/03/337392403.db2.gz WQOSBKHXECTBDU-JKSUJKDBSA-N 0 0 305.466 3.733 10 0 DHAERN C[C@@H](Cc1ccccc1F)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116423744 337392702 /nfs/dbraw/zinc/39/27/02/337392702.db2.gz MBMZAKRRUQXMOG-XJKSGUPXSA-N 0 0 316.376 3.896 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000117142771 337393308 /nfs/dbraw/zinc/39/33/08/337393308.db2.gz DJLBPPUZFPLRAR-HOTGVXAUSA-N 0 0 321.465 3.766 10 0 DHAERN CC[C@H](CC(=O)N1CCC(c2cnn(CC)c2)CC1)C(C)C ZINC000123535381 337399795 /nfs/dbraw/zinc/39/97/95/337399795.db2.gz PSXAFUROJRTWPN-OAHLLOKOSA-N 0 0 305.466 3.681 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CCCCO3)C2)n1 ZINC000124651850 337406596 /nfs/dbraw/zinc/40/65/96/337406596.db2.gz RHMVMPNJAMMNCJ-ZFWWWQNUSA-N 0 0 322.474 3.542 10 0 DHAERN CCC(CC)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000043629969 337412475 /nfs/dbraw/zinc/41/24/75/337412475.db2.gz FLSKZUGOUVCVJY-UHFFFAOYSA-N 0 0 315.417 3.905 10 0 DHAERN Cc1[nH]c2ccc(C(=O)N3CCC(c4cc[nH]n4)CC3)cc2c1C ZINC000125840303 337414160 /nfs/dbraw/zinc/41/41/60/337414160.db2.gz WKCQQDIXERMXCP-UHFFFAOYSA-N 0 0 322.412 3.528 10 0 DHAERN Cc1ccc(C(=O)Nc2ccccc2N)cc1Br ZINC000125871948 337414311 /nfs/dbraw/zinc/41/43/11/337414311.db2.gz OJOFYPNZSMZREP-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN Cn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(C(C)(C)C)n1 ZINC000126825294 337417944 /nfs/dbraw/zinc/41/79/44/337417944.db2.gz ZTNOVIXLEGQFCI-INIZCTEOSA-N 0 0 311.429 3.525 10 0 DHAERN Cc1cc(C)n([C@H](C)C(=O)N2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000127712275 337422141 /nfs/dbraw/zinc/42/21/41/337422141.db2.gz UKIKWYDTCBXSRY-CVEARBPZSA-N 0 0 315.417 3.716 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)Cc2ccoc2)cc1 ZINC000129416140 337429518 /nfs/dbraw/zinc/42/95/18/337429518.db2.gz TWSUWRAYQFULLF-AWEZNQCLSA-N 0 0 301.386 3.734 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000048068519 337432429 /nfs/dbraw/zinc/43/24/29/337432429.db2.gz ZTVHUUMTOUHPLR-DRZSPHRISA-N 0 0 315.339 3.563 10 0 DHAERN CC1(C)CCC(CC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000130272832 337432688 /nfs/dbraw/zinc/43/26/88/337432688.db2.gz OBJQBPAAKLQWKG-CQSZACIVSA-N 0 0 322.474 3.650 10 0 DHAERN C[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cc2ccccc2o1 ZINC000131133594 337436518 /nfs/dbraw/zinc/43/65/18/337436518.db2.gz CRAIPTLPLIRADW-CHWSQXEVSA-N 0 0 310.401 3.772 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2sccc2OC)C12CCCC2 ZINC000134122353 337447798 /nfs/dbraw/zinc/44/77/98/337447798.db2.gz VINNQPAYDYUNTJ-KGLIPLIRSA-N 0 0 323.458 3.567 10 0 DHAERN O=C(CCc1cc(F)ccc1F)N[C@H]1CCOc2ccccc21 ZINC000053004672 337449810 /nfs/dbraw/zinc/44/98/10/337449810.db2.gz GDLYOJCBRUMTQV-INIZCTEOSA-N 0 0 317.335 3.537 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)c1cccnc1 ZINC000056941981 337457445 /nfs/dbraw/zinc/45/74/45/337457445.db2.gz GSBPURKVBHOHPD-QWRGUYRKSA-N 0 0 321.783 3.996 10 0 DHAERN CC(C)OCCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000056941715 337457489 /nfs/dbraw/zinc/45/74/89/337457489.db2.gz NVONQMJPTDGHMY-NSHDSACASA-N 0 0 316.804 3.654 10 0 DHAERN CCn1c(C)nnc1CSc1nc2ccccc2n1C(F)F ZINC000194685455 337463110 /nfs/dbraw/zinc/46/31/10/337463110.db2.gz VDTGZTNDKLQBDK-UHFFFAOYSA-N 0 0 323.372 3.644 10 0 DHAERN Cc1csc([C@@H]2CN([C@@H](C)c3cc(F)ccc3F)CCO2)n1 ZINC000195396929 337466476 /nfs/dbraw/zinc/46/64/76/337466476.db2.gz VFJRIPMXJHQUGH-NHYWBVRUSA-N 0 0 324.396 3.864 10 0 DHAERN Cc1csc([C@@H]2CCCN(c3cnc4ccccc4n3)C2)n1 ZINC000195313260 337467632 /nfs/dbraw/zinc/46/76/32/337467632.db2.gz MFDVKBODAZWOTM-CYBMUJFWSA-N 0 0 310.426 3.779 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)O1 ZINC000246010249 337501201 /nfs/dbraw/zinc/50/12/01/337501201.db2.gz KZEHKYZPLUEZJG-XPGWFJOJSA-N 0 0 321.420 3.880 10 0 DHAERN Cc1cc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c(C)n1C1CC1 ZINC000067299134 337543491 /nfs/dbraw/zinc/54/34/91/337543491.db2.gz QEDRLLFYFQMZJE-KRWDZBQOSA-N 0 0 323.440 3.766 10 0 DHAERN Brc1ccc(CN[C@H]2COc3ccccc32)s1 ZINC000070070200 337546231 /nfs/dbraw/zinc/54/62/31/337546231.db2.gz KSACONNGBAYYEE-NSHDSACASA-N 0 0 310.216 3.734 10 0 DHAERN CCC1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000074385438 337551881 /nfs/dbraw/zinc/55/18/81/337551881.db2.gz WQOWCKMVTMSDBT-UHFFFAOYSA-N 0 0 314.429 3.512 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000247562258 337560467 /nfs/dbraw/zinc/56/04/67/337560467.db2.gz ZRIISQOFOXCHGG-GVDBMIGSSA-N 0 0 301.434 3.680 10 0 DHAERN CC(C)=CCC[C@@H](C)CCN1CCOC[C@@H]1c1nc(C)no1 ZINC000248674084 337566610 /nfs/dbraw/zinc/56/66/10/337566610.db2.gz WHGMKOIBFHJLNS-GDBMZVCRSA-N 0 0 307.438 3.524 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1C[C@H](C)CSc2ccccc21 ZINC000248829706 337567678 /nfs/dbraw/zinc/56/76/78/337567678.db2.gz YGJMWRXGHGOIRU-MELADBBJSA-N 0 0 305.443 3.577 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(C)C)C2)n1 ZINC000249357433 337570188 /nfs/dbraw/zinc/57/01/88/337570188.db2.gz RQKVYPMDHJWWOT-VHDGCEQUSA-N 0 0 306.475 3.704 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCO[C@H]2C)o1 ZINC000249648748 337570954 /nfs/dbraw/zinc/57/09/54/337570954.db2.gz TVDONIMDFLTRRS-BVUBDWEXSA-N 0 0 305.418 3.703 10 0 DHAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000251644994 337583576 /nfs/dbraw/zinc/58/35/76/337583576.db2.gz ILHYZUULLSNPFD-DAYGRLMNSA-N 0 0 318.461 3.673 10 0 DHAERN CCn1c2ccc(F)cc2nc1CN1CCCc2c(N)cccc21 ZINC000261701457 337608824 /nfs/dbraw/zinc/60/88/24/337608824.db2.gz COUOBIHGIIACCJ-UHFFFAOYSA-N 0 0 324.403 3.730 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)CCc1cc(Cl)cs1 ZINC000261731316 337609275 /nfs/dbraw/zinc/60/92/75/337609275.db2.gz HGSDWXYNIFJCOX-UHFFFAOYSA-N 0 0 320.845 3.896 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2SCCc3sccc32)o1 ZINC000079547618 337623788 /nfs/dbraw/zinc/62/37/88/337623788.db2.gz SLDRPRVUOYHEFS-IINYFYTJSA-N 0 0 307.440 3.857 10 0 DHAERN CC1(C)C[C@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2ccc(F)cc2O1 ZINC000263382025 337627354 /nfs/dbraw/zinc/62/73/54/337627354.db2.gz BWCYDEYLGYXPBM-HGMXIMQMSA-N 0 0 321.392 3.661 10 0 DHAERN CCCCCNC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000080581882 337678758 /nfs/dbraw/zinc/67/87/58/337678758.db2.gz YBZSXNHAVFFMED-UHFFFAOYSA-N 0 0 307.413 3.602 10 0 DHAERN O=C(Nc1ccc(Br)cn1)[C@H]1CCCCC1(F)F ZINC000328121722 337798638 /nfs/dbraw/zinc/79/86/38/337798638.db2.gz ZNYPDJSZGFACIJ-SECBINFHSA-N 0 0 319.149 3.608 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2cc(C)c(C)s2)cc1OC ZINC000045382066 337821382 /nfs/dbraw/zinc/82/13/82/337821382.db2.gz JABFRKCAQYGGIR-LLVKDONJSA-N 0 0 319.426 3.873 10 0 DHAERN COCc1cc(Cl)nc(-c2ccc(Br)cc2)n1 ZINC000051700251 337868127 /nfs/dbraw/zinc/86/81/27/337868127.db2.gz AOAFCKUYTWSRIT-UHFFFAOYSA-N 0 0 313.582 3.706 10 0 DHAERN O=C(N[C@H]1CCCC[C@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000120469349 337874740 /nfs/dbraw/zinc/87/47/40/337874740.db2.gz LNHVKSUBIVZDGS-ZWKOTPCHSA-N 0 0 311.381 3.512 10 0 DHAERN Cc1cccc(C2=CCN(C(=O)N[C@@H](C)c3ccncc3)CC2)c1 ZINC000092460506 337904442 /nfs/dbraw/zinc/90/44/42/337904442.db2.gz YFWNWWURKRHILE-INIZCTEOSA-N 0 0 321.424 3.950 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc(F)cn1)c1ccc(F)cc1Cl ZINC000122615827 337922876 /nfs/dbraw/zinc/92/28/76/337922876.db2.gz FRHCHRAKZMCFBF-MRVPVSSYSA-N 0 0 311.719 3.896 10 0 DHAERN Cc1cc(Br)cnc1N1CCC[C@@H](C(F)(F)F)C1 ZINC000122960850 337933020 /nfs/dbraw/zinc/93/30/20/337933020.db2.gz CTEZIVWEOWUIGK-SECBINFHSA-N 0 0 323.156 3.931 10 0 DHAERN CCn1ccnc1CSCc1cc(Cl)c2c(c1)OCCO2 ZINC000083631888 337995902 /nfs/dbraw/zinc/99/59/02/337995902.db2.gz JSCISWDHCYRAQZ-UHFFFAOYSA-N 0 0 324.833 3.761 10 0 DHAERN CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000084076979 337999864 /nfs/dbraw/zinc/99/98/64/337999864.db2.gz QMWPSDXEBGTJTC-GXFFZTMASA-N 0 0 313.850 3.749 10 0 DHAERN C[C@@H](NC[C@@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229537 338162413 /nfs/dbraw/zinc/16/24/13/338162413.db2.gz NRJQSRMZDDUYGQ-SVGQVSJJSA-N 0 0 320.113 3.706 10 0 DHAERN CSC1(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCC1 ZINC000194774572 338746490 /nfs/dbraw/zinc/74/64/90/338746490.db2.gz USALCWAHCMZRMF-JTQLQIEISA-N 0 0 314.401 3.611 10 0 DHAERN Cc1ccc(Br)c(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000163833800 338846184 /nfs/dbraw/zinc/84/61/84/338846184.db2.gz KMNFRROSNXKWDK-GDLCADMTSA-N 0 0 310.235 3.983 10 0 DHAERN C[C@@H](NC(=O)C(C)(C)C(F)F)c1cccc(Br)c1 ZINC000470797735 339328485 /nfs/dbraw/zinc/32/84/85/339328485.db2.gz PRLZTZDJKXCXSQ-MRVPVSSYSA-N 0 0 320.177 3.918 10 0 DHAERN C[C@H](COCc1ccccc1)Nc1nccc(C(F)(F)F)n1 ZINC000172781830 340341605 /nfs/dbraw/zinc/34/16/05/340341605.db2.gz VDDZKXRZUZZPLA-LLVKDONJSA-N 0 0 311.307 3.513 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cccc(F)c1Cl ZINC000172959116 340350086 /nfs/dbraw/zinc/35/00/86/340350086.db2.gz JUPLFEDXXHDGEZ-GFCCVEGCSA-N 0 0 321.779 3.814 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000172966466 340350348 /nfs/dbraw/zinc/35/03/48/340350348.db2.gz DQFBIJILEKJWQG-GFCCVEGCSA-N 0 0 321.779 3.814 10 0 DHAERN CCN(C(=O)N[C@H](C)COCc1ccccc1)[C@H](C)C(C)C ZINC000173336016 340362733 /nfs/dbraw/zinc/36/27/33/340362733.db2.gz NOMCPVZOTCZPGN-HZPDHXFCSA-N 0 0 306.450 3.668 10 0 DHAERN C[C@H](NC(=O)CCC1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000173792005 340374152 /nfs/dbraw/zinc/37/41/52/340374152.db2.gz VRDYPRQXKAQTNC-NSHDSACASA-N 0 0 313.800 3.863 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCCC3CCCC3)C2)n1 ZINC000173914961 340377675 /nfs/dbraw/zinc/37/76/75/340377675.db2.gz AYBHYDKGZBXKRL-HNNXBMFYSA-N 0 0 321.490 3.921 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCC(C)(C)C[C@H](C)O)cc1 ZINC000174554215 340391457 /nfs/dbraw/zinc/39/14/57/340391457.db2.gz QNGSRONABFKUAX-GJZGRUSLSA-N 0 0 320.477 3.967 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Br)c2)O1 ZINC000308371285 340417033 /nfs/dbraw/zinc/41/70/33/340417033.db2.gz RJFFSNCTYNKGAK-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H](NC(=O)c1occc1Br)c1cccs1 ZINC000176532843 340428206 /nfs/dbraw/zinc/42/82/06/340428206.db2.gz SSYPTOXVIHWFLE-ZETCQYMHSA-N 0 0 300.177 3.595 10 0 DHAERN CC(C)[C@H](C)NC(=O)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000186551084 340514117 /nfs/dbraw/zinc/51/41/17/340514117.db2.gz MDYPSUVZKZHSNH-AAEUAGOBSA-N 0 0 302.340 3.676 10 0 DHAERN COCc1cccc(CC(=O)N[C@H](C)c2ccc(Cl)s2)c1 ZINC000186627182 340514900 /nfs/dbraw/zinc/51/49/00/340514900.db2.gz PXTJBWWWKHOVTI-LLVKDONJSA-N 0 0 323.845 3.968 10 0 DHAERN CCOC[C@@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)C(C)C ZINC000190076294 340542570 /nfs/dbraw/zinc/54/25/70/340542570.db2.gz NZONDNNDZXNPEK-WDEREUQCSA-N 0 0 318.870 3.823 10 0 DHAERN CCOC[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)s1)C(C)C ZINC000190076279 340542592 /nfs/dbraw/zinc/54/25/92/340542592.db2.gz NZONDNNDZXNPEK-QWRGUYRKSA-N 0 0 318.870 3.823 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCS1 ZINC000192227961 340564891 /nfs/dbraw/zinc/56/48/91/340564891.db2.gz ONQLBHOGGQMCNC-WOPDTQHZSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@H]1CSCCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)C1 ZINC000192314698 340565957 /nfs/dbraw/zinc/56/59/57/340565957.db2.gz XGJWSKFSAKADKE-ABAIWWIYSA-N 0 0 324.877 3.722 10 0 DHAERN CCOC(=O)[C@@H](NCc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000192943279 340570823 /nfs/dbraw/zinc/57/08/23/340570823.db2.gz UYHNAXCNEARNFZ-INIZCTEOSA-N 0 0 321.779 3.873 10 0 DHAERN CC(C)CCOc1ccc([C@H](C)NC(=O)C[C@H]2CCCO2)cc1 ZINC000194874633 340596741 /nfs/dbraw/zinc/59/67/41/340596741.db2.gz NPZGZXTUTVIRGJ-MAUKXSAKSA-N 0 0 319.445 3.858 10 0 DHAERN CC(C)[C@@H](O)Cc1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC000232697745 340635316 /nfs/dbraw/zinc/63/53/16/340635316.db2.gz WVRMCGFEUWCSSN-NSHDSACASA-N 0 0 301.173 3.603 10 0 DHAERN Cc1cc(N2CCC[C@H](C(F)(F)F)C2)ncc1Br ZINC000126721850 340831045 /nfs/dbraw/zinc/83/10/45/340831045.db2.gz ZPQJWNNDIKCMQS-VIFPVBQESA-N 0 0 323.156 3.931 10 0 DHAERN CCn1ccnc1CSc1nnc(C)n1[C@H]1CCC[C@@H](C)C1 ZINC000127012255 340841132 /nfs/dbraw/zinc/84/11/32/340841132.db2.gz NTJAMVLQZGQJJL-OCCSQVGLSA-N 0 0 319.478 3.846 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)NCCCC(C)(C)CO)c2ccccc21 ZINC000128280401 340864998 /nfs/dbraw/zinc/86/49/98/340864998.db2.gz GHTXNKBYGZMOGQ-WMLDXEAASA-N 0 0 318.461 3.723 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000542212684 341000540 /nfs/dbraw/zinc/00/05/40/341000540.db2.gz JCGHTDQNBBVENM-GXFFZTMASA-N 0 0 308.219 3.774 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)Cc1cc(F)c(F)cc1F ZINC000130429173 341021386 /nfs/dbraw/zinc/02/13/86/341021386.db2.gz MRUBMLMYVLJFDJ-NSHDSACASA-N 0 0 307.315 3.832 10 0 DHAERN O=C(N[C@H]1CCCC[C@H]1O)C1(Sc2ccccc2)CCCC1 ZINC000130688726 341039506 /nfs/dbraw/zinc/03/95/06/341039506.db2.gz FAMYVYJLZSUDRL-JKSUJKDBSA-N 0 0 319.470 3.511 10 0 DHAERN Cc1c(C(=O)N2[C@@H](C)COC[C@@H]2C)oc2c1c(C)ccc2C ZINC000130833261 341048491 /nfs/dbraw/zinc/04/84/91/341048491.db2.gz WWBQHEXTJBAVIO-STQMWFEESA-N 0 0 301.386 3.607 10 0 DHAERN Cc1cccc(CCNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 ZINC000072056436 341058755 /nfs/dbraw/zinc/05/87/55/341058755.db2.gz IRGSNNZZOMYHCI-ZDUSSCGKSA-N 0 0 318.367 3.876 10 0 DHAERN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000132663373 341137938 /nfs/dbraw/zinc/13/79/38/341137938.db2.gz GAYSQZMKMJECQM-HUUCEWRRSA-N 0 0 310.401 3.627 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000132824864 341146491 /nfs/dbraw/zinc/14/64/91/341146491.db2.gz YEBOCWAQJRIPSH-HNNXBMFYSA-N 0 0 318.461 3.816 10 0 DHAERN CCCC(C)(C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000074876390 341154147 /nfs/dbraw/zinc/15/41/47/341154147.db2.gz UCROMCWROMOHEP-AWEZNQCLSA-N 0 0 314.433 3.811 10 0 DHAERN O=C(Cc1ccc(F)c(F)c1)N[C@@H]1CCCc2ccccc21 ZINC000133324710 341172938 /nfs/dbraw/zinc/17/29/38/341172938.db2.gz HOPOCXFONKMJEY-QGZVFWFLSA-N 0 0 301.336 3.701 10 0 DHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCn2c3ccccc3nc21 ZINC000133397331 341174576 /nfs/dbraw/zinc/17/45/76/341174576.db2.gz ZDCQHSDSFXMGNT-GJZGRUSLSA-N 0 0 309.413 3.599 10 0 DHAERN C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)c(Cl)c1 ZINC000133406888 341174769 /nfs/dbraw/zinc/17/47/69/341174769.db2.gz UHNZPSLKFWUAQD-SNVBAGLBSA-N 0 0 307.752 3.605 10 0 DHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cc(Br)ccc1F ZINC000075374005 341175066 /nfs/dbraw/zinc/17/50/66/341175066.db2.gz HUJBHANWZZVGIS-PRHODGIISA-N 0 0 300.171 3.507 10 0 DHAERN CCc1cnc(CCNC(=O)NC2CCC(CC)CC2)s1 ZINC000075809280 341183419 /nfs/dbraw/zinc/18/34/19/341183419.db2.gz FRSIBGRXNJDXOK-UHFFFAOYSA-N 0 0 309.479 3.516 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000076997070 341216647 /nfs/dbraw/zinc/21/66/47/341216647.db2.gz KGFNJPULCLQAMG-YOEHRIQHSA-N 0 0 304.434 3.691 10 0 DHAERN CCc1cnc([C@@H](C)Nc2nccc(C(F)(F)F)n2)s1 ZINC000134927259 341226720 /nfs/dbraw/zinc/22/67/20/341226720.db2.gz LKYJSKYNABWFHM-SSDOTTSWSA-N 0 0 302.325 3.687 10 0 DHAERN CCn1cc(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)cn1 ZINC000078237823 341238781 /nfs/dbraw/zinc/23/87/81/341238781.db2.gz PZQVDQHEFABGCC-ZDUSSCGKSA-N 0 0 308.385 3.939 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000078291558 341239788 /nfs/dbraw/zinc/23/97/88/341239788.db2.gz RARGVWTXSPJXIR-RFQIPJPRSA-N 0 0 318.383 3.939 10 0 DHAERN O=C(N[C@@H]1CCCCC[C@H]1O)c1cc(F)c(Cl)cc1Cl ZINC000135917203 341248227 /nfs/dbraw/zinc/24/82/27/341248227.db2.gz XBLMRRISRNMTIQ-CHWSQXEVSA-N 0 0 320.191 3.556 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCc3ccc(F)cc3C2)o1 ZINC000136041659 341251441 /nfs/dbraw/zinc/25/14/41/341251441.db2.gz DHFULSHVVLBCKL-LBPRGKRZSA-N 0 0 302.349 3.556 10 0 DHAERN CCCCN(CCO)C(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000079219491 341255574 /nfs/dbraw/zinc/25/55/74/341255574.db2.gz LVPAONOTWLFNJL-OAHLLOKOSA-N 0 0 306.450 3.675 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/C=C/c1ccccc1 ZINC000081451787 341291203 /nfs/dbraw/zinc/29/12/03/341291203.db2.gz HQSHXPZRBOYJJX-GLNPCMGASA-N 0 0 317.429 3.669 10 0 DHAERN Cc1cc(CN(C)[C@@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567510 341296633 /nfs/dbraw/zinc/29/66/33/341296633.db2.gz MNPRGRNGCHADMZ-AWEZNQCLSA-N 0 0 314.429 3.705 10 0 DHAERN C[C@@H](CC(=O)N1[C@H](C)COC[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000245532344 341300126 /nfs/dbraw/zinc/30/01/26/341300126.db2.gz IAKORYAHDMQPKX-MCIONIFRSA-N 0 0 309.837 3.545 10 0 DHAERN CCN(CC(C)(C)O)C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000081969502 341312087 /nfs/dbraw/zinc/31/20/87/341312087.db2.gz BYJGJCHMOZOMNH-IAGOWNOFSA-N 0 0 303.446 3.533 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000245790987 341314896 /nfs/dbraw/zinc/31/48/96/341314896.db2.gz IRHVXQLKHMUELB-BZSNNMDCSA-N 0 0 315.457 3.987 10 0 DHAERN Cc1ccc(-c2noc([C@@H](C)N3CCS[C@@H](C)C3)n2)cc1F ZINC000246144164 341329221 /nfs/dbraw/zinc/32/92/21/341329221.db2.gz OIXIEVWFTROKCB-NWDGAFQWSA-N 0 0 321.421 3.682 10 0 DHAERN C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CCS1 ZINC000246253149 341338535 /nfs/dbraw/zinc/33/85/35/341338535.db2.gz MCUJCHUFYYBRGC-BVGQSLNGSA-N 0 0 311.450 3.907 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@@H](C)C3)C2)n1 ZINC000246333467 341342666 /nfs/dbraw/zinc/34/26/66/341342666.db2.gz ONJQEUHLMFQVPN-YUELXQCFSA-N 0 0 321.490 3.919 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000246902919 341358470 /nfs/dbraw/zinc/35/84/70/341358470.db2.gz FHPHHLNUSATISH-BJLQDIEVSA-N 0 0 315.457 3.580 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2cccs2)C1(C)C ZINC000247022959 341360051 /nfs/dbraw/zinc/36/00/51/341360051.db2.gz SCPBHOXXAUWLLC-MRVWCRGKSA-N 0 0 310.463 3.654 10 0 DHAERN COc1ccc(N(C(=O)[C@@H]2CCCO[C@@H]2C)[C@H](C)C2CC2)cc1 ZINC000251260317 341414299 /nfs/dbraw/zinc/41/42/99/341414299.db2.gz YQTRYIMYXLKMQI-HBUWYVDXSA-N 0 0 317.429 3.642 10 0 DHAERN Cc1ccc2c(CN3CCCc4c(N)cccc43)cc(=O)oc2c1 ZINC000261914371 341509376 /nfs/dbraw/zinc/50/93/76/341509376.db2.gz QOMFNJRVUHIJQB-UHFFFAOYSA-N 0 0 320.392 3.636 10 0 DHAERN O=C(Cc1ccccc1F)N[C@H]1CCCc2cc(F)ccc21 ZINC000153166414 341527954 /nfs/dbraw/zinc/52/79/54/341527954.db2.gz ZJUHSCRCUNYBKJ-KRWDZBQOSA-N 0 0 301.336 3.701 10 0 DHAERN O=C(COc1ccccc1F)N[C@H]1CCCc2cc(F)ccc21 ZINC000153280215 341533322 /nfs/dbraw/zinc/53/33/22/341533322.db2.gz XWXIXLHDQXQBQS-INIZCTEOSA-N 0 0 317.335 3.537 10 0 DHAERN CC[C@@H](C)CN(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155230995 341604421 /nfs/dbraw/zinc/60/44/21/341604421.db2.gz SEIKFCWEYSNBFN-OCCSQVGLSA-N 0 0 316.367 3.848 10 0 DHAERN CC[C@@H](C)CN(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000155231199 341604574 /nfs/dbraw/zinc/60/45/74/341604574.db2.gz SEIKFCWEYSNBFN-TZMCWYRMSA-N 0 0 316.367 3.848 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000156714502 341625593 /nfs/dbraw/zinc/62/55/93/341625593.db2.gz BTJAKYWCLAWDJI-LDYMZIIASA-N 0 0 322.207 3.717 10 0 DHAERN CCCn1nccc1NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157327508 341636375 /nfs/dbraw/zinc/63/63/75/341636375.db2.gz OFVHPKDCZONRAA-OAHLLOKOSA-N 0 0 316.380 3.631 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2cccc(C)c2C(C)=O)cc1 ZINC000157957037 341648339 /nfs/dbraw/zinc/64/83/39/341648339.db2.gz LZTFHBBIFRSOQV-ZDUSSCGKSA-N 0 0 311.381 3.948 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000171444308 341778158 /nfs/dbraw/zinc/77/81/58/341778158.db2.gz WYJHTUSTRWXOJB-CQSZACIVSA-N 0 0 310.397 3.602 10 0 DHAERN C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCS1 ZINC000171580478 341780767 /nfs/dbraw/zinc/78/07/67/341780767.db2.gz VJGCTCYZSAZHIQ-LBPRGKRZSA-N 0 0 314.454 3.624 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCCO[C@H](C)C2)cc1 ZINC000246880560 517486507 /nfs/dbraw/zinc/48/65/07/517486507.db2.gz KHZQJXHLCITVMO-FHLIZLRMSA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)(C)n1cc(C(=O)N[C@H]2CCCc3cc(F)ccc32)cn1 ZINC000119826038 519151991 /nfs/dbraw/zinc/15/19/91/519151991.db2.gz JXSGAOLSZHXXLY-INIZCTEOSA-N 0 0 315.392 3.585 10 0 DHAERN CC(=O)Nc1nc(CN2CCCC[C@H]2c2ccc(C)o2)cs1 ZINC000130927034 519752431 /nfs/dbraw/zinc/75/24/31/519752431.db2.gz AVJYMKZNPZDRFG-AWEZNQCLSA-N 0 0 319.430 3.730 10 0 DHAERN CC(C)OCCCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182387392 519757911 /nfs/dbraw/zinc/75/79/11/519757911.db2.gz IFAFZFPWGPEKDQ-LLVKDONJSA-N 0 0 301.789 3.862 10 0 DHAERN CC(C)c1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000109093832 519833547 /nfs/dbraw/zinc/83/35/47/519833547.db2.gz FCYUJQRWBCWMDK-GHMZBOCLSA-N 0 0 305.328 3.554 10 0 DHAERN CC(C)c1cccc2c1CCN(C(=O)[C@H]1CCCO[C@@H]1C)C2 ZINC000190905691 519843751 /nfs/dbraw/zinc/84/37/51/519843751.db2.gz WCMWBQSZIDQMMC-PBHICJAKSA-N 0 0 301.430 3.510 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@@H]3CC[C@@H](C)O3)C2)n1 ZINC000156954343 519857223 /nfs/dbraw/zinc/85/72/23/519857223.db2.gz ILJPZMDGJPOHHW-IPYPFGDCSA-N 0 0 322.474 3.540 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2Cc2cc(F)cc(F)c2)no1 ZINC000127757245 519868542 /nfs/dbraw/zinc/86/85/42/519868542.db2.gz JGRIKMSRATUGNY-CQSZACIVSA-N 0 0 307.344 3.808 10 0 DHAERN CC(C)c1nnc(CS[C@H]2CCc3ccc(F)cc32)n1C ZINC000182356986 519888759 /nfs/dbraw/zinc/88/87/59/519888759.db2.gz IELCSAMTSFPZJK-AWEZNQCLSA-N 0 0 305.422 3.998 10 0 DHAERN CCCC1(CNC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000154161110 519889478 /nfs/dbraw/zinc/88/94/78/519889478.db2.gz GHNKXLSXLINQPO-ZDUSSCGKSA-N 0 0 307.463 3.960 10 0 DHAERN CCNc1ncc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)s1 ZINC000129227938 520361686 /nfs/dbraw/zinc/36/16/86/520361686.db2.gz HKMOLHAQIWNPGB-GFCCVEGCSA-N 0 0 319.430 3.844 10 0 DHAERN CCNc1ncc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)s1 ZINC000129228136 520362019 /nfs/dbraw/zinc/36/20/19/520362019.db2.gz HKMOLHAQIWNPGB-LBPRGKRZSA-N 0 0 319.430 3.844 10 0 DHAERN CC1(C)C[C@@H](NC(=O)[C@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000121861670 520519625 /nfs/dbraw/zinc/51/96/25/520519625.db2.gz OXMYDGZSKCZJJX-GHMZBOCLSA-N 0 0 314.212 3.599 10 0 DHAERN CCC[C@H](NC(=O)[C@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000103392819 521140434 /nfs/dbraw/zinc/14/04/34/521140434.db2.gz SNYLZGNHMZGJLG-RISCZKNCSA-N 0 0 317.351 3.945 10 0 DHAERN CCC[C@H](NCc1nnc(C2CC2)n1C)c1ccc(F)cc1F ZINC000181658792 521166477 /nfs/dbraw/zinc/16/64/77/521166477.db2.gz LSHWNGHXRUZJPS-HNNXBMFYSA-N 0 0 320.387 3.602 10 0 DHAERN CCC(CC)(CC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154730637 521389911 /nfs/dbraw/zinc/38/99/11/521389911.db2.gz MODORACMMURUAI-UHFFFAOYSA-N 0 0 306.454 3.515 10 0 DHAERN CCCc1nc(CN[C@@H](C)c2ccccc2Br)no1 ZINC000181568546 521514368 /nfs/dbraw/zinc/51/43/68/521514368.db2.gz LMOQAXKOOIWBRI-JTQLQIEISA-N 0 0 324.222 3.635 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H](C)c2ccccc2C)CCC1 ZINC000156575886 521687123 /nfs/dbraw/zinc/68/71/23/521687123.db2.gz KTRCNEMMWRRVCR-INIZCTEOSA-N 0 0 318.461 3.952 10 0 DHAERN CC[C@H](CCO)CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000122894091 522137866 /nfs/dbraw/zinc/13/78/66/522137866.db2.gz UQUFOWTXCISGSY-HZPDHXFCSA-N 0 0 305.462 3.513 10 0 DHAERN CCc1nc(C2(NCc3cc(F)ccc3C)CCCC2)no1 ZINC000180159856 522242811 /nfs/dbraw/zinc/24/28/11/522242811.db2.gz CLOQWVQFOBYJIJ-UHFFFAOYSA-N 0 0 303.381 3.639 10 0 DHAERN COC(=O)c1sc(Oc2ccc(C)c(F)c2)nc1Cl ZINC000226417987 522427989 /nfs/dbraw/zinc/42/79/89/522427989.db2.gz JSGCWXJSTBHBPP-UHFFFAOYSA-N 0 0 301.726 3.823 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000103358641 522554141 /nfs/dbraw/zinc/55/41/41/522554141.db2.gz NHXOBOWULZAWCV-VIFPVBQESA-N 0 0 310.806 3.685 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccccc1N(C)Cc1ccccc1 ZINC000103386431 522554799 /nfs/dbraw/zinc/55/47/99/522554799.db2.gz NYALLDCCCYCJLT-HNNXBMFYSA-N 0 0 312.413 3.544 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000103430964 522555221 /nfs/dbraw/zinc/55/52/21/522555221.db2.gz ILMSKUAKHQKJNP-AWEZNQCLSA-N 0 0 323.396 3.531 10 0 DHAERN CC[C@@H](CSC)NC(=O)N1CCCC[C@H]1c1nccs1 ZINC000179979646 522607571 /nfs/dbraw/zinc/60/75/71/522607571.db2.gz ULRQVCQXPYPQEM-RYUDHWBXSA-N 0 0 313.492 3.521 10 0 DHAERN CCc1nnc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181390400 522744261 /nfs/dbraw/zinc/74/42/61/522744261.db2.gz WAACHZSVNPFNSN-ZDUSSCGKSA-N 0 0 303.406 3.518 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)n1C ZINC000180015077 522747171 /nfs/dbraw/zinc/74/71/71/522747171.db2.gz VIGMIBWPHDYQPV-PZSREKOKSA-N 0 0 318.852 3.518 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2cc(C)ccc2Cl)CC1 ZINC000180378667 522904027 /nfs/dbraw/zinc/90/40/27/522904027.db2.gz FHCLMUBAJLGJRD-UHFFFAOYSA-N 0 0 309.793 3.566 10 0 DHAERN CC[C@H](c1ccc(F)cc1)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749571 522933230 /nfs/dbraw/zinc/93/32/30/522933230.db2.gz OJSWDLQYPMDFLV-MSOLQXFVSA-N 0 0 317.408 3.567 10 0 DHAERN CC[C@@H](N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161755086 522948074 /nfs/dbraw/zinc/94/80/74/522948074.db2.gz KLHYVFWJXYADHG-OLZOCXBDSA-N 0 0 308.788 3.646 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NCc1csc(C)n1 ZINC000237226109 523294865 /nfs/dbraw/zinc/29/48/65/523294865.db2.gz QGIBUXFXBSWIMG-NSHDSACASA-N 0 0 300.431 3.672 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cc(C)ccc3C)CC2)cn1 ZINC000124176757 523353421 /nfs/dbraw/zinc/35/34/21/523353421.db2.gz NECUTNHCELKPHQ-UHFFFAOYSA-N 0 0 311.429 3.540 10 0 DHAERN CCn1cc([C@@H](C)Nc2cccc(-n3nc(C)cc3C)c2)cn1 ZINC000182875860 523461181 /nfs/dbraw/zinc/46/11/81/523461181.db2.gz WHUZYVVTKXJOCY-OAHLLOKOSA-N 0 0 309.417 3.879 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@H](C)O2)o1 ZINC000158278106 524040539 /nfs/dbraw/zinc/04/05/39/524040539.db2.gz WWSVWOJBROFAIC-RMRKRWHISA-N 0 0 305.418 3.709 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccnc(F)c2)o1 ZINC000128327304 524053741 /nfs/dbraw/zinc/05/37/41/524053741.db2.gz OFUPKQODZBJSHB-CQSZACIVSA-N 0 0 302.349 3.744 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@H]1c1cccc(F)c1 ZINC000188684580 524478040 /nfs/dbraw/zinc/47/80/40/524478040.db2.gz ZEIWQTHMTVVWCB-BQGCOEIASA-N 0 0 305.393 3.550 10 0 DHAERN Cc1cc(C)n(-c2cccc(N[C@@H](C)c3nccnc3C)c2)n1 ZINC000188401562 524492919 /nfs/dbraw/zinc/49/29/19/524492919.db2.gz WQAJSVFJKSVALT-HNNXBMFYSA-N 0 0 307.401 3.761 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccccc2OC(C)(C)C)C[C@H](C)O1 ZINC000115778518 524513135 /nfs/dbraw/zinc/51/31/35/524513135.db2.gz TXXVCBQUCFKCGC-STQMWFEESA-N 0 0 306.406 3.505 10 0 DHAERN C[C@@H](CN(C)C(=O)N[C@@H](C)c1cccs1)c1nccs1 ZINC000182138049 524564440 /nfs/dbraw/zinc/56/44/40/524564440.db2.gz ZNPDENBEXHXVMQ-QWRGUYRKSA-N 0 0 309.460 3.711 10 0 DHAERN Cc1cc(CNC2c3ccccc3CCc3ccccc32)on1 ZINC000180458313 524753232 /nfs/dbraw/zinc/75/32/32/524753232.db2.gz LSDLAKKQZXMSKI-UHFFFAOYSA-N 0 0 304.393 3.961 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000176334195 524893971 /nfs/dbraw/zinc/89/39/71/524893971.db2.gz NTRHKIFHLHNTGT-CQSZACIVSA-N 0 0 318.808 3.541 10 0 DHAERN Cc1cccc2sc(NCc3cn(C(C)(C)C)nn3)nc21 ZINC000191520036 525002111 /nfs/dbraw/zinc/00/21/11/525002111.db2.gz LYCNXZYGQGFFMQ-UHFFFAOYSA-N 0 0 301.419 3.563 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000190175856 525016060 /nfs/dbraw/zinc/01/60/60/525016060.db2.gz FPXQUBUXINTXGB-BXKDBHETSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000191466010 525016832 /nfs/dbraw/zinc/01/68/32/525016832.db2.gz WHMAJDMPELKWAI-TZMCWYRMSA-N 0 0 322.836 3.694 10 0 DHAERN C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCCO1 ZINC000103307005 525051219 /nfs/dbraw/zinc/05/12/19/525051219.db2.gz CIEUCORVGUMMSA-SWLSCSKDSA-N 0 0 322.836 3.586 10 0 DHAERN C[C@@H](NC(=O)CCCCc1c[nH]nn1)c1ccc2ccccc2c1 ZINC000157445688 525085626 /nfs/dbraw/zinc/08/56/26/525085626.db2.gz UEBXMIZYYRSJQS-CQSZACIVSA-N 0 0 322.412 3.548 10 0 DHAERN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158163950 525162600 /nfs/dbraw/zinc/16/26/00/525162600.db2.gz WMDKOIJUKXEJOF-CHWSQXEVSA-N 0 0 316.401 3.967 10 0 DHAERN Cc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000180675537 525175527 /nfs/dbraw/zinc/17/55/27/525175527.db2.gz NMKCXKWOWOOILH-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188348875 525466258 /nfs/dbraw/zinc/46/62/58/525466258.db2.gz VJXAIHCDIXHTJZ-VMUDFCTBSA-N 0 0 305.393 3.550 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000188982841 525557651 /nfs/dbraw/zinc/55/76/51/525557651.db2.gz KHMSIBQDCXCBJH-AAEUAGOBSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000188490743 525558072 /nfs/dbraw/zinc/55/80/72/525558072.db2.gz NDGSSDHIJHIXEC-BBRMVZONSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000191697365 525559014 /nfs/dbraw/zinc/55/90/14/525559014.db2.gz BPUCTNCLXYKDTM-JKSUJKDBSA-N 0 0 316.445 3.821 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)nc2)o1 ZINC000131522528 525709839 /nfs/dbraw/zinc/70/98/39/525709839.db2.gz XQEMHBDHRCMJFM-SECBINFHSA-N 0 0 313.279 3.885 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc([C@H](C)OCC(C)C)no2)o1 ZINC000182578880 525737682 /nfs/dbraw/zinc/73/76/82/525737682.db2.gz PBIFKIGXKLNVEV-OLZOCXBDSA-N 0 0 307.394 3.555 10 0 DHAERN Cc1c(Cl)cccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151691816 525769344 /nfs/dbraw/zinc/76/93/44/525769344.db2.gz ODLYQTDABQITNR-SUMWQHHRSA-N 0 0 322.836 3.807 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccc(O)cc2)o1 ZINC000183946053 525798690 /nfs/dbraw/zinc/79/86/90/525798690.db2.gz XXJZADPCEAJEIP-KRWDZBQOSA-N 0 0 313.397 3.980 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccoc3)n2)o1 ZINC000156107511 525891831 /nfs/dbraw/zinc/89/18/31/525891831.db2.gz ZTWBQZOPAZTCMY-NSHDSACASA-N 0 0 316.382 3.724 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2[C@H](C)C2CC2)o1 ZINC000156369593 525904216 /nfs/dbraw/zinc/90/42/16/525904216.db2.gz UTRZTNSJVAHMAH-NWDGAFQWSA-N 0 0 302.378 3.638 10 0 DHAERN Cc1c([C@@H](C)Nc2ccc3c(c2)OCO3)cnn1C(C)(C)C ZINC000191418615 525906329 /nfs/dbraw/zinc/90/63/29/525906329.db2.gz NPPOGDHBNOXMST-LLVKDONJSA-N 0 0 301.390 3.848 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CSC(F)(F)F)o1 ZINC000127662744 525991804 /nfs/dbraw/zinc/99/18/04/525991804.db2.gz KQGVDCIFDITTMZ-SNVBAGLBSA-N 0 0 307.337 3.895 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCc2ncccc2C)o1 ZINC000173493010 525993994 /nfs/dbraw/zinc/99/39/94/525993994.db2.gz GLVCFHABMQWCMK-MRXNPFEDSA-N 0 0 313.401 3.728 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc(NC=O)cc2)o1 ZINC000173190246 525996830 /nfs/dbraw/zinc/99/68/30/525996830.db2.gz ZDXHKWUEHCRXAK-MRXNPFEDSA-N 0 0 312.369 3.524 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1cc(C(N)=O)cs1 ZINC000130839211 526044289 /nfs/dbraw/zinc/04/42/89/526044289.db2.gz GFNDUVDLMUDUGG-JTQLQIEISA-N 0 0 308.834 3.693 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1nccs1)[C@H](C)C2 ZINC000181909109 526202677 /nfs/dbraw/zinc/20/26/77/526202677.db2.gz RBVJSXHEVQNOFD-MLGOLLRUSA-N 0 0 315.442 3.526 10 0 DHAERN O=C(CCC(F)(F)F)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000129036451 526392481 /nfs/dbraw/zinc/39/24/81/526392481.db2.gz LZNMPPDLDYKXRI-SNVBAGLBSA-N 0 0 313.241 3.619 10 0 DHAERN Fc1ccccc1[C@@H]1CN(Cc2ccc3ccccc3n2)CCO1 ZINC000124433877 526416161 /nfs/dbraw/zinc/41/61/61/526416161.db2.gz WCOYTCLVJATOAX-FQEVSTJZSA-N 0 0 322.383 3.947 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077099 526423991 /nfs/dbraw/zinc/42/39/91/526423991.db2.gz NPENCUZGYSAYLL-AWEZNQCLSA-N 0 0 308.834 3.678 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2CSCCS2)o1 ZINC000299743167 526740606 /nfs/dbraw/zinc/74/06/06/526740606.db2.gz MGCPLKDOVGZGKD-AXFHLTTASA-N 0 0 314.476 3.509 10 0 DHAERN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@@H]1C[C@@H]1C ZINC000191144066 526843636 /nfs/dbraw/zinc/84/36/36/526843636.db2.gz WOABEABSLREMLY-QPUJVOFHSA-N 0 0 324.302 3.807 10 0 DHAERN Clc1ccc(SCCN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000182696049 526959390 /nfs/dbraw/zinc/95/93/90/526959390.db2.gz PUPXWLJLSCFRLL-CQSZACIVSA-N 0 0 322.865 3.777 10 0 DHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180675972 527116972 /nfs/dbraw/zinc/11/69/72/527116972.db2.gz MIECGOMNBRTZLK-CQSZACIVSA-N 0 0 324.306 3.586 10 0 DHAERN O=C(Nc1ccc(Cl)cc1F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180597333 527185997 /nfs/dbraw/zinc/18/59/97/527185997.db2.gz WAGKDMVTPVEDGS-AWEZNQCLSA-N 0 0 322.771 3.961 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)c2cccc(-c3ccoc3)c2)cn1 ZINC000126463478 527298537 /nfs/dbraw/zinc/29/85/37/527298537.db2.gz YNPGMVWWOXUJAB-SFHVURJKSA-N 0 0 321.380 3.657 10 0 DHAERN O=C(Cc1cccs1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128381315 527304059 /nfs/dbraw/zinc/30/40/59/527304059.db2.gz DTTSVZFINBGBQY-CYBMUJFWSA-N 0 0 313.344 3.580 10 0 DHAERN O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@H]1C1CCCCC1 ZINC000156493682 527489281 /nfs/dbraw/zinc/48/92/81/527489281.db2.gz MHPOGZOBSLUASZ-STQMWFEESA-N 0 0 315.339 3.600 10 0 DHAERN O=C(NCC1CC1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000158092834 527594540 /nfs/dbraw/zinc/59/45/40/527594540.db2.gz ZLZNVTRBMDJHKF-HNNXBMFYSA-N 0 0 300.402 3.532 10 0 DHAERN Brc1sccc1[C@@H]1NCCc2ccsc21 ZINC000712526125 563321251 /nfs/dbraw/zinc/32/12/51/563321251.db2.gz BLGNRDBIUULEIY-VIFPVBQESA-N 0 0 300.246 3.807 10 0 DHAERN CC(C)(C)C(=O)C[C@](O)(c1ccccc1)C(F)(F)C(F)F ZINC000002903114 563356046 /nfs/dbraw/zinc/35/60/46/563356046.db2.gz WWIOLTWSDLMDMH-AWEZNQCLSA-N 0 0 306.299 3.780 10 0 DHAERN CC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C ZINC000238139087 563412992 /nfs/dbraw/zinc/41/29/92/563412992.db2.gz PPWYNIALRAQDKB-UHFFFAOYSA-N 0 0 314.179 3.999 10 0 DHAERN Cc1ccc(C)c([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 ZINC000071790570 563501492 /nfs/dbraw/zinc/50/14/92/563501492.db2.gz CBAWPZYNMQBHJS-CQSZACIVSA-N 0 0 303.402 3.597 10 0 DHAERN CC(C)(C)OC(=O)[C@@H](N)Cc1cn(C(C)(C)C)c2ccccc12 ZINC000085345425 563520435 /nfs/dbraw/zinc/52/04/35/563520435.db2.gz IEHDUIWFVDMTSJ-HNNXBMFYSA-N 0 0 316.445 3.608 10 0 DHAERN COC(=O)c1nn(-c2ccc(C)cc2)c(N)c1C1CCCCC1 ZINC000725254593 563551836 /nfs/dbraw/zinc/55/18/36/563551836.db2.gz CDPHVTUUKSNMCI-UHFFFAOYSA-N 0 0 313.401 3.597 10 0 DHAERN Cc1cc(Br)c2c(c1)c(Cl)c(C)c(=O)n2C ZINC000725260771 563566869 /nfs/dbraw/zinc/56/68/69/563566869.db2.gz WDWWWHMVGZYWOD-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN Cc1cc(NCC2CC2)nn1-c1ccccc1Br ZINC000725264504 563570983 /nfs/dbraw/zinc/57/09/83/563570983.db2.gz RUECKROEYFELPG-UHFFFAOYSA-N 0 0 306.207 3.765 10 0 DHAERN CC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1F ZINC000013729937 563663250 /nfs/dbraw/zinc/66/32/50/563663250.db2.gz QJIARPKMAXEAPD-UHFFFAOYSA-N 0 0 303.377 3.913 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)OC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000263606294 563809971 /nfs/dbraw/zinc/80/99/71/563809971.db2.gz QSLJIVKCVHQPLV-HUXWNPSUSA-N 0 0 306.446 3.543 10 0 DHAERN Cc1cc(C)cc(NC(=O)Cc2nc(-c3cccs3)no2)c1 ZINC000064761717 563894317 /nfs/dbraw/zinc/89/43/17/563894317.db2.gz FSXTZIMPVYQPRB-UHFFFAOYSA-N 0 0 313.382 3.596 10 0 DHAERN Cc1ccc2onc(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)c2c1 ZINC000035325070 563909742 /nfs/dbraw/zinc/90/97/42/563909742.db2.gz FQNKLEVHMBPQCF-KCQAQPDRSA-N 0 0 300.402 3.620 10 0 DHAERN Cc1[nH]nc(I)c1-c1ccc(Cl)cc1 ZINC000675076244 563911161 /nfs/dbraw/zinc/91/11/61/563911161.db2.gz LZCFPEGRBFILGD-UHFFFAOYSA-N 0 0 318.545 3.643 10 0 DHAERN CNc1ccc2oc(-c3cc(OC)c(OC)c(OC)c3)nc2c1 ZINC000226272026 563913595 /nfs/dbraw/zinc/91/35/95/563913595.db2.gz SMRXROJSQRWJOE-UHFFFAOYSA-N 0 0 314.341 3.562 10 0 DHAERN C[C@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1 ZINC000226275737 563913626 /nfs/dbraw/zinc/91/36/26/563913626.db2.gz HFHBSGLJOCQTLG-NSHDSACASA-N 0 0 300.324 3.591 10 0 DHAERN CC(=O)Oc1ccccc1OCC(=O)c1cc(C)c(C)cc1C ZINC000032106437 563923962 /nfs/dbraw/zinc/92/39/62/563923962.db2.gz RHIAROOUPJGYGP-UHFFFAOYSA-N 0 0 312.365 3.799 10 0 DHAERN COc1cc2c(cc1OC)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 ZINC000012493591 571693994 /nfs/dbraw/zinc/69/39/94/571693994.db2.gz AVCFXYYRWRZONV-BKRJIHRRSA-N 0 0 316.441 3.921 10 0 endogenous,in-man DHAERN COc1ccc([C@H](C)C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000263495635 962680717 /nfs/dbraw/zinc/68/07/17/962680717.db2.gz JPGKUGWZGSHYIP-KCMWZYNZSA-N 0 0 317.429 3.516 10 0 DHAERN Brc1ccc(N[C@@H]2CCOc3ccccc32)nc1 ZINC000051986952 1013835807 /nfs/dbraw/zinc/83/58/07/1013835807.db2.gz PPBARARGSUZLTB-GFCCVEGCSA-N 0 0 305.175 3.780 10 0 DHAERN C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])c1ccc(Br)cc1 ZINC000395586671 972806897 /nfs/dbraw/zinc/80/68/97/972806897.db2.gz DZJDVUREQDTAOY-SNVBAGLBSA-N 0 0 314.223 3.601 10 0 DHAERN CS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000707342514 977384746 /nfs/dbraw/zinc/38/47/46/977384746.db2.gz GSMMHOLZDGFRAB-NEPJUHHUSA-N 0 0 313.850 3.754 10 0 DHAERN Clc1ccc([C@H](NCc2cccs2)c2ncon2)cc1 ZINC000090202474 1032390205 /nfs/dbraw/zinc/39/02/05/1032390205.db2.gz AUFPXAQXBSGKAR-ZDUSSCGKSA-N 0 0 305.790 3.664 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCCC2(C)C)c(Cl)c1 ZINC000067576132 1018906671 /nfs/dbraw/zinc/90/66/71/1018906671.db2.gz LYXYWLCBJLTEPS-UHFFFAOYSA-N 0 0 309.797 3.705 10 0 DHAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C)[C@@H]1CO ZINC000089853557 1019380535 /nfs/dbraw/zinc/38/05/35/1019380535.db2.gz AYBISAXAIVXDNQ-CJNGLKHVSA-N 0 0 304.434 3.743 10 0 DHAERN CCS[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)C(C)C ZINC000067046755 1030520905 /nfs/dbraw/zinc/52/09/05/1030520905.db2.gz WNEDQJNNCFGGKC-QWHCGFSZSA-N 0 0 312.504 3.627 10 0 DHAERN Cc1ccc(-c2noc(CN(C)[C@H](C)c3ccco3)n2)cc1F ZINC000069067155 1030544152 /nfs/dbraw/zinc/54/41/52/1030544152.db2.gz CMPBFGCYOPUYFJ-GFCCVEGCSA-N 0 0 315.348 3.970 10 0 DHAERN C[C@@]1(C(=O)Nc2cccc(-c3cc[nH]n3)c2)CC1(Cl)Cl ZINC000073760970 1030604187 /nfs/dbraw/zinc/60/41/87/1030604187.db2.gz OBRXFSHTFFVFDE-ZDUSSCGKSA-N 0 0 310.184 3.599 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccccc3F)C2)cc1 ZINC000078187393 1030921264 /nfs/dbraw/zinc/92/12/64/1030921264.db2.gz QZALHDHBTWURNQ-DZGCQCFKSA-N 0 0 313.372 3.853 10 0 DHAERN CCCCC1CCC(NC(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000081590702 1031559525 /nfs/dbraw/zinc/55/95/25/1031559525.db2.gz BCNQZTJZZXRNLD-GPANFISMSA-N 0 0 303.450 3.626 10 0 DHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)C[C@H](C)C(C)C)C2)c1 ZINC000081639663 1031566463 /nfs/dbraw/zinc/56/64/63/1031566463.db2.gz JVGZYVOOONJDAK-GJZGRUSLSA-N 0 0 319.445 3.702 10 0 DHAERN O=C(c1ccc[nH]c1=S)N1CC2(CCCC2)c2ccccc21 ZINC000081811247 1031591839 /nfs/dbraw/zinc/59/18/39/1031591839.db2.gz KVAPCPVJEACCAC-UHFFFAOYSA-N 0 0 310.422 3.843 10 0 DHAERN Cn1cc(C=Cc2[nH]nc3ccnc(OC4CCCCC4)c23)cn1 ZINC000095574244 185380615 /nfs/dbraw/zinc/38/06/15/185380615.db2.gz FQAUEIZZMKBKKP-BQYQJAHWSA-N 0 0 323.400 3.573 10 0 DHAERN CS(=O)(=O)c1cccc(-c2cccc(Br)c2)c1 ZINC000095616859 185382676 /nfs/dbraw/zinc/38/26/76/185382676.db2.gz IWFPIYKHEICMSI-UHFFFAOYSA-N 0 0 311.200 3.520 10 0 DHAERN CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1N ZINC000095616848 185382733 /nfs/dbraw/zinc/38/27/33/185382733.db2.gz VVWWFMBREGMWGP-UHFFFAOYSA-N 0 0 301.230 3.534 10 0 DHAERN Cc1cc(N)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000095642764 185382978 /nfs/dbraw/zinc/38/29/78/185382978.db2.gz PDMBAIUJOQKOCF-UHFFFAOYSA-N 0 0 323.393 3.649 10 0 DHAERN CC(C)c1cc(I)ccc1OC1CC1 ZINC000095725292 185383517 /nfs/dbraw/zinc/38/35/17/185383517.db2.gz FQUPALGFDLBRBD-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3c2cccc3F)CC1 ZINC000079027413 185147359 /nfs/dbraw/zinc/14/73/59/185147359.db2.gz XRHYZUSBZVHHHL-UHFFFAOYSA-N 0 0 319.376 3.681 10 0 DHAERN CSc1ccc([C@@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1F ZINC000090225296 185287694 /nfs/dbraw/zinc/28/76/94/185287694.db2.gz CGSWBOFBNPCJNQ-QMTHXVAHSA-N 0 0 320.437 3.633 10 0 DHAERN CSc1ccc([C@H](C)N[C@H]2CCCn3nc(C)nc32)cc1F ZINC000090225291 185287814 /nfs/dbraw/zinc/28/78/14/185287814.db2.gz CGSWBOFBNPCJNQ-HZMBPMFUSA-N 0 0 320.437 3.633 10 0 DHAERN COC(=O)c1ccccc1OCc1cc(Cl)nc(Cl)c1 ZINC000090513533 185299901 /nfs/dbraw/zinc/29/99/01/185299901.db2.gz JFNPASGGEZTYPF-UHFFFAOYSA-N 0 0 312.152 3.754 10 0 DHAERN COC(=O)c1ccccc1OCc1cccc(-c2ccccn2)n1 ZINC000090513534 185300025 /nfs/dbraw/zinc/30/00/25/185300025.db2.gz YNGAFGKXRHXKMX-UHFFFAOYSA-N 0 0 320.348 3.509 10 0 DHAERN Cc1cncc(-c2cccnc2)c1-c1nc(-c2ccccn2)no1 ZINC000090399648 185294317 /nfs/dbraw/zinc/29/43/17/185294317.db2.gz IRXSLFUCGOHLTH-UHFFFAOYSA-N 0 0 315.336 3.564 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccc(C)c(C)c3)CCO2)n1 ZINC000092790177 185341166 /nfs/dbraw/zinc/34/11/66/185341166.db2.gz LVODNANHOYIOKT-MRXNPFEDSA-N 0 0 302.443 3.642 10 0 DHAERN CCCOc1cccc(CN2CCO[C@H](c3nccs3)C2)c1 ZINC000092831759 185344618 /nfs/dbraw/zinc/34/46/18/185344618.db2.gz LGWODCIHMKFQBO-INIZCTEOSA-N 0 0 318.442 3.505 10 0 DHAERN Cc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1C ZINC000092812175 185343165 /nfs/dbraw/zinc/34/31/65/185343165.db2.gz NBOJOXBDOAFQOE-GOSISDBHSA-N 0 0 324.472 3.958 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000103361139 185447936 /nfs/dbraw/zinc/44/79/36/185447936.db2.gz LPYXVDZAUUHMGW-GFCCVEGCSA-N 0 0 309.456 3.621 10 0 DHAERN C[C@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N ZINC000226263150 201771312 /nfs/dbraw/zinc/77/13/12/201771312.db2.gz YAPUFVCREIMOGI-LBPRGKRZSA-N 0 0 315.442 3.961 10 0 DHAERN CC(C)N(c1ccc(N)cc1C(=O)N1CCCC[C@H]1C)C(C)C ZINC000226323547 201775536 /nfs/dbraw/zinc/77/55/36/201775536.db2.gz RJUXREOHINSVPW-OAHLLOKOSA-N 0 0 317.477 3.907 10 0 DHAERN COc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1OC ZINC000226763268 201788195 /nfs/dbraw/zinc/78/81/95/201788195.db2.gz QXXYJARNTKWQKY-UHFFFAOYSA-N 0 0 320.776 3.500 10 0 DHAERN Cc1ccc2c(c1)[C@H](N)C(=O)N2Cc1ccc(Cl)c(Cl)c1 ZINC000139538530 186023089 /nfs/dbraw/zinc/02/30/89/186023089.db2.gz JADKFUQMVFELDL-HNNXBMFYSA-N 0 0 321.207 3.848 10 0 DHAERN Brc1ccc(-n2nccc2-c2ccncc2)cc1 ZINC000072190546 191072940 /nfs/dbraw/zinc/07/29/40/191072940.db2.gz UVOGJWKVENWVJP-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN COC(=O)c1cc2c(nc(C(F)(F)F)cc2C(F)(F)F)o1 ZINC000072193581 191073527 /nfs/dbraw/zinc/07/35/27/191073527.db2.gz ROFJOVZBXNGIGF-UHFFFAOYSA-N 0 0 313.153 3.652 10 0 DHAERN OCc1cccc(COCc2ccccc2)c1Br ZINC000072191362 191073650 /nfs/dbraw/zinc/07/36/50/191073650.db2.gz ZVGPBGQZYDBRCG-UHFFFAOYSA-N 0 0 307.187 3.658 10 0 DHAERN CC(C)(C)c1ccc(-c2nnc(-c3cc(N)ccc3O)[nH]2)cc1 ZINC000072237599 191080940 /nfs/dbraw/zinc/08/09/40/191080940.db2.gz NSHXTJYXZZOZAB-UHFFFAOYSA-N 0 0 308.385 3.724 10 0 DHAERN Nc1nccc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 ZINC000072416799 191155602 /nfs/dbraw/zinc/15/56/02/191155602.db2.gz NQUPWMJPORXBOB-UHFFFAOYSA-N 0 0 311.772 3.958 10 0 DHAERN CCC1(CC)NC(=S)N(c2nc(-c3ccccc3)cs2)N1 ZINC000000354238 180765091 /nfs/dbraw/zinc/76/50/91/180765091.db2.gz GLPFKEOOPGWLAQ-UHFFFAOYSA-N 0 0 318.471 3.526 10 0 DHAERN CC(=O)Nc1ccc([C@@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000000834598 180835963 /nfs/dbraw/zinc/83/59/63/180835963.db2.gz WMJQBMCLUAJVNJ-QGZVFWFLSA-N 0 0 311.410 3.536 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC(Nc2ccccc2)CC1 ZINC000001688490 180888292 /nfs/dbraw/zinc/88/82/92/180888292.db2.gz WDHJFGYRFWYQFS-WOJBJXKFSA-N 0 0 320.436 3.893 10 0 DHAERN Nc1nc(Cl)cc(CCc2ccc(Cl)c(Cl)c2)n1 ZINC000001690216 180888519 /nfs/dbraw/zinc/88/85/19/180888519.db2.gz ZYANACVXGJNPHA-UHFFFAOYSA-N 0 0 302.592 3.804 10 0 DHAERN Clc1nc(Cl)nc(Nc2ccccc2Br)n1 ZINC000002034656 180907562 /nfs/dbraw/zinc/90/75/62/180907562.db2.gz NMGHGQPDRBIZGZ-UHFFFAOYSA-N 0 0 319.977 3.685 10 0 DHAERN Brc1cccc(Nc2ncnc3cccnc32)c1 ZINC000003815227 181046883 /nfs/dbraw/zinc/04/68/83/181046883.db2.gz XFTYJIWMIPTWTF-UHFFFAOYSA-N 0 0 301.147 3.531 10 0 DHAERN Cc1ccc(-c2c(Br)oc3ncnc(N)c32)cc1 ZINC000073738834 191351353 /nfs/dbraw/zinc/35/13/53/191351353.db2.gz SIBKLICGYGRVSH-UHFFFAOYSA-N 0 0 304.147 3.543 10 0 DHAERN COc1ccc(OC)c(NC(=O)CCc2cccc3[nH]ccc32)c1 ZINC000075550460 191489609 /nfs/dbraw/zinc/48/96/09/191489609.db2.gz NPVSLHSBHBGFHG-UHFFFAOYSA-N 0 0 324.380 3.756 10 0 DHAERN Cc1ccc(CN(Cc2ccco2)C(=O)N[C@H]2C[C@@H]2C)s1 ZINC000075981328 191547270 /nfs/dbraw/zinc/54/72/70/191547270.db2.gz GUCZRDRENDIKRB-NHYWBVRUSA-N 0 0 304.415 3.770 10 0 DHAERN CCC1CCC(NC(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000077716136 191760851 /nfs/dbraw/zinc/76/08/51/191760851.db2.gz QOBQKGWUWAQCEH-UHFFFAOYSA-N 0 0 318.343 3.536 10 0 DHAERN COc1ccc(NC(=O)Cn2c3ccccc3nc2C(C)C)cc1 ZINC000005238441 181220814 /nfs/dbraw/zinc/22/08/14/181220814.db2.gz YMIOSZBYEIOSEF-UHFFFAOYSA-N 0 0 323.396 3.807 10 0 DHAERN CN(C)c1ccc([C@H](c2ccccn2)c2ccc(O)cc2O)cc1 ZINC000005328633 181230414 /nfs/dbraw/zinc/23/04/14/181230414.db2.gz GXCUJVPAYGUWPG-FQEVSTJZSA-N 0 0 320.392 3.739 10 0 DHAERN COC(=O)c1sccc1NC(=O)/C=C/c1cccc(Cl)c1 ZINC000005526349 181253247 /nfs/dbraw/zinc/25/32/47/181253247.db2.gz KNMXMQOSEAWZGA-AATRIKPKSA-N 0 0 321.785 3.840 10 0 DHAERN CC(C)(C)OC(=O)N1CC[C@H](Sc2nc3ccccc3[nH]2)C1 ZINC000085333521 192490855 /nfs/dbraw/zinc/49/08/55/192490855.db2.gz OEROPACIRDCMDR-NSHDSACASA-N 0 0 319.430 3.664 10 0 DHAERN NC(=O)c1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000081271989 192242958 /nfs/dbraw/zinc/24/29/58/192242958.db2.gz AKMRPJWPCGMYDM-NWDGAFQWSA-N 0 0 320.820 3.594 10 0 DHAERN CC(C)CCONC(=O)Nc1ccc(Br)cc1 ZINC000005727071 181277378 /nfs/dbraw/zinc/27/73/78/181277378.db2.gz BNGSNNCHOUPBOT-UHFFFAOYSA-N 0 0 301.184 3.548 10 0 DHAERN CCCOc1cccc(C(=O)N2CCCc3c(N)cccc32)c1 ZINC000236993762 202112548 /nfs/dbraw/zinc/11/25/48/202112548.db2.gz AOWUKJFZFGIYDP-UHFFFAOYSA-N 0 0 310.397 3.651 10 0 DHAERN CC(C)(Cc1ccc(Br)cc1)C(=O)c1cncnc1 ZINC000089224058 192744117 /nfs/dbraw/zinc/74/41/17/192744117.db2.gz WXTWVHVBDNNMFS-UHFFFAOYSA-N 0 0 319.202 3.691 10 0 DHAERN O=C(Nc1ncccn1)/C(=C/c1ccccc1)c1ccccc1 ZINC000006594250 181359551 /nfs/dbraw/zinc/35/95/51/181359551.db2.gz QUJPVMNMBHRCEU-SAPNQHFASA-N 0 0 301.349 3.656 10 0 DHAERN CC(C)(C)NC(=O)N1CCn2cccc2[C@H]1c1cccc(F)c1 ZINC000006692922 181370945 /nfs/dbraw/zinc/37/09/45/181370945.db2.gz VALDQHVWDWLWFP-MRXNPFEDSA-N 0 0 315.392 3.540 10 0 DHAERN CN(C)C(=O)CC1(CC(=O)Nc2cccc(Cl)c2)CCCC1 ZINC000006711686 181376213 /nfs/dbraw/zinc/37/62/13/181376213.db2.gz HNXANCKTHKYYAF-UHFFFAOYSA-N 0 0 322.836 3.707 10 0 DHAERN O=C(Nc1c(Cl)cccc1Cl)c1ccnc2[nH]cnc21 ZINC000091352041 193044815 /nfs/dbraw/zinc/04/48/15/193044815.db2.gz OXSNDEJIFZNXCR-UHFFFAOYSA-N 0 0 307.140 3.517 10 0 DHAERN NC(=O)c1cc(Br)cc(Cc2ccccc2)c1Cl ZINC000091368735 193047885 /nfs/dbraw/zinc/04/78/85/193047885.db2.gz YAIAIACETNSKDI-UHFFFAOYSA-N 0 0 324.605 3.792 10 0 DHAERN N[C@H]1c2ccsc2N=CN1c1ccccc1Br ZINC000257354363 203068131 /nfs/dbraw/zinc/06/81/31/203068131.db2.gz XHVNEHQGRUMVOZ-LLVKDONJSA-N 0 0 308.204 3.648 10 0 DHAERN O=C(/C=C/c1ccccc1Br)NCc1ccccc1 ZINC000007608919 181478714 /nfs/dbraw/zinc/47/87/14/181478714.db2.gz FQCWRMAVNDFIMD-ZHACJKMWSA-N 0 0 316.198 3.779 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CCc3cc(F)ccc3C2)o1 ZINC000093292161 193225457 /nfs/dbraw/zinc/22/54/57/193225457.db2.gz ZPTVPQAMEOYSJR-GFCCVEGCSA-N 0 0 302.349 3.556 10 0 DHAERN CC(C)Cc1ncc(CN2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438553 193253360 /nfs/dbraw/zinc/25/33/60/193253360.db2.gz ZIEPMQWRYTUWHQ-OAHLLOKOSA-N 0 0 304.463 3.792 10 0 DHAERN Cc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000094203804 193348415 /nfs/dbraw/zinc/34/84/15/193348415.db2.gz DOOHIMPVDBRSAV-QWRGUYRKSA-N 0 0 303.299 3.985 10 0 DHAERN COc1cccc(/C=C/C(=O)Nc2ccc(N3CCCC3)cc2)c1 ZINC000007951316 181510179 /nfs/dbraw/zinc/51/01/79/181510179.db2.gz XRCVCUYGQDJRMS-KPKJPENVSA-N 0 0 322.408 3.947 10 0 DHAERN C[C@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(F)cc2)C1 ZINC000009246193 181610152 /nfs/dbraw/zinc/61/01/52/181610152.db2.gz YOYTZJFJHBYODY-JTQLQIEISA-N 0 0 318.417 3.524 10 0 DHAERN CCCCNC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 ZINC000010472063 181672103 /nfs/dbraw/zinc/67/21/03/181672103.db2.gz QAXQRNNYNPQOFD-UHFFFAOYSA-N 0 0 312.438 3.758 10 0 DHAERN Cc1cc(NC(=O)Cc2ccc(C)cc2C)n(-c2ccccc2)n1 ZINC000013701211 181881737 /nfs/dbraw/zinc/88/17/37/181881737.db2.gz FNSXJUMMYCTRAD-UHFFFAOYSA-N 0 0 319.408 3.979 10 0 DHAERN CCOc1ccccc1NC(=S)Nc1cccnc1Cl ZINC000013838486 181905778 /nfs/dbraw/zinc/90/57/78/181905778.db2.gz GRVQLXKFDALZRN-UHFFFAOYSA-N 0 0 307.806 3.943 10 0 DHAERN CCCCCC(=O)NC(=S)Nc1ccc(N(CC)CC)cc1 ZINC000014040336 181922654 /nfs/dbraw/zinc/92/26/54/181922654.db2.gz IEFOKLYOPVYKOA-UHFFFAOYSA-N 0 0 321.490 3.926 10 0 DHAERN COc1cc(C=O)ccc1OC(=O)c1ccccc1OC(C)C ZINC000014783502 181970970 /nfs/dbraw/zinc/97/09/70/181970970.db2.gz YXAPQGILUWRVIW-UHFFFAOYSA-N 0 0 314.337 3.514 10 0 DHAERN COc1ccccc1/C=C1\SC(=N)N(c2ccccc2)C1=O ZINC000015052874 181984432 /nfs/dbraw/zinc/98/44/32/181984432.db2.gz SHGCNUPLXUXHOP-QMGYSKEOSA-N 0 0 310.378 3.751 10 0 DHAERN Cc1ccc(N2C(=N)S/C(=C\c3ccc(O)cc3)C2=O)cc1 ZINC000015052951 181984857 /nfs/dbraw/zinc/98/48/57/181984857.db2.gz VAJVDLJKRORBKQ-UZUODQGYSA-N 0 0 310.378 3.756 10 0 DHAERN COc1ccccc1/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000017198449 182080241 /nfs/dbraw/zinc/08/02/41/182080241.db2.gz OTYSBQKXEWBXFR-MDZDMXLPSA-N 0 0 300.354 3.891 10 0 DHAERN COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(O)c1 ZINC000019232022 182110204 /nfs/dbraw/zinc/11/02/04/182110204.db2.gz DYBSDTSSEZZEJO-UHFFFAOYSA-N 0 0 312.152 3.960 10 0 DHAERN Cc1nn(-c2ccc(C)cc2)c2ncc(Br)cc12 ZINC000019431733 182123076 /nfs/dbraw/zinc/12/30/76/182123076.db2.gz PREZRDQLCKVNHE-UHFFFAOYSA-N 0 0 302.175 3.800 10 0 DHAERN NC(=S)c1ccccc1OCc1cccc(Br)c1 ZINC000019502445 182126739 /nfs/dbraw/zinc/12/67/39/182126739.db2.gz RTMLNHXVEVMDRZ-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(Br)c(C)c2)c1N ZINC000019471125 182124281 /nfs/dbraw/zinc/12/42/81/182124281.db2.gz HPXATYOPTPPGCH-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN NC(=S)Cc1ccc(OCc2ccc(F)cc2Cl)cc1 ZINC000019981277 182173229 /nfs/dbraw/zinc/17/32/29/182173229.db2.gz HPQRQURCDMBMLL-UHFFFAOYSA-N 0 0 309.793 3.887 10 0 DHAERN CC(C)CCOCC(=O)Nc1c(N)cc(Cl)cc1Cl ZINC000019996216 182175593 /nfs/dbraw/zinc/17/55/93/182175593.db2.gz MDKBPBCISSEIEN-UHFFFAOYSA-N 0 0 305.205 3.577 10 0 DHAERN Cc1ccc(NC(=O)c2cccc(C(N)=S)c2)cc1Cl ZINC000020013735 182177768 /nfs/dbraw/zinc/17/77/68/182177768.db2.gz FEUQEOGBQKNXRR-UHFFFAOYSA-N 0 0 304.802 3.535 10 0 DHAERN Nc1cc(Cl)cc(Cl)c1NC(=O)COc1ccccc1 ZINC000020017224 182179274 /nfs/dbraw/zinc/17/92/74/182179274.db2.gz AMLQBDFTRAWFAG-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N)c(C)c1 ZINC000020020839 182179915 /nfs/dbraw/zinc/17/99/15/182179915.db2.gz NBADDMBOTUKOKX-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN Cc1ccc(NCC(=O)Nc2cccc(Br)c2)cc1 ZINC000020055982 182184457 /nfs/dbraw/zinc/18/44/57/182184457.db2.gz REPBADRZHWNSDA-UHFFFAOYSA-N 0 0 319.202 3.808 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1ccc(Cl)c(Cl)c1)CC2 ZINC000020182692 182194879 /nfs/dbraw/zinc/19/48/79/182194879.db2.gz HVKPPWYMQFQHNT-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN Nc1cccc(CCC(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000020187174 182195397 /nfs/dbraw/zinc/19/53/97/182195397.db2.gz ZSUZURHMCPJQGP-UHFFFAOYSA-N 0 0 308.303 3.859 10 0 DHAERN CCOC(=O)COc1cc2sc(C)nc2c2sccc21 ZINC000020302547 182204429 /nfs/dbraw/zinc/20/44/29/182204429.db2.gz KBUBAVUSNHDWBN-UHFFFAOYSA-N 0 0 307.396 3.761 10 0 DHAERN O=Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000020393559 182214245 /nfs/dbraw/zinc/21/42/45/182214245.db2.gz XCQCINDPWXWUGM-UHFFFAOYSA-N 0 0 324.163 3.823 10 0 DHAERN C[C@H](O)CNc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000020322947 182206921 /nfs/dbraw/zinc/20/69/21/182206921.db2.gz LYLHPWNGHDCNTL-WDEREUQCSA-N 0 0 319.474 3.635 10 0 DHAERN Cc1sc2ncnc(NCCO)c2c1-c1ccc(C)c(C)c1 ZINC000020322815 182206960 /nfs/dbraw/zinc/20/69/60/182206960.db2.gz GWMPBTDJGFPODJ-UHFFFAOYSA-N 0 0 313.426 3.688 10 0 DHAERN Cc1sc2ncnc(NCCCO)c2c1-c1ccc(F)cc1 ZINC000020321459 182207072 /nfs/dbraw/zinc/20/70/72/182207072.db2.gz KUPGPDZNNJBWTQ-UHFFFAOYSA-N 0 0 317.389 3.600 10 0 DHAERN Cc1sc2nc(C)nc(NCCO)c2c1-c1ccc(F)cc1 ZINC000020326099 182207823 /nfs/dbraw/zinc/20/78/23/182207823.db2.gz TWNSMKHNNZUXSL-UHFFFAOYSA-N 0 0 317.389 3.518 10 0 DHAERN Cc1cccc(OCC(=O)Nc2cc(N)ccc2Cl)c1C ZINC000020344411 182209866 /nfs/dbraw/zinc/20/98/66/182209866.db2.gz VRTXBCIXCJPYSE-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1ccccc1Br ZINC000020367897 182212422 /nfs/dbraw/zinc/21/24/22/182212422.db2.gz UKGOUQRRSDXXEQ-JTQLQIEISA-N 0 0 313.239 3.554 10 0 DHAERN CC(C)CNC(=O)CNc1c(Cl)cc(Cl)cc1Cl ZINC000020505394 182225575 /nfs/dbraw/zinc/22/55/75/182225575.db2.gz WJHILPFBJBZCQU-UHFFFAOYSA-N 0 0 309.624 3.831 10 0 DHAERN CC(C)CCNc1ncnc2onc(-c3ccc(F)cc3)c21 ZINC000020574452 182234887 /nfs/dbraw/zinc/23/48/87/182234887.db2.gz CPVIUZZLAYQSAO-UHFFFAOYSA-N 0 0 300.337 3.882 10 0 DHAERN CCOC(=O)c1c(N)scc1-c1ccc(OC(C)C)cc1 ZINC000021028489 182262431 /nfs/dbraw/zinc/26/24/31/182262431.db2.gz IRJPYYCAXHWKTK-UHFFFAOYSA-N 0 0 305.399 3.961 10 0 DHAERN Cc1ccc2[nH]c(-c3cccc(NC(=O)[C@@H]4CCCO4)c3)nc2c1 ZINC000021145261 182266968 /nfs/dbraw/zinc/26/69/68/182266968.db2.gz KCLINSXCLNGDNH-KRWDZBQOSA-N 0 0 321.380 3.656 10 0 DHAERN O=C(c1ccccc1)N(Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000021998057 182303088 /nfs/dbraw/zinc/30/30/88/182303088.db2.gz WWRJHUMSXJRCEN-RBUKOAKNSA-N 0 0 309.409 3.633 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000023386998 182359178 /nfs/dbraw/zinc/35/91/78/182359178.db2.gz UNHCIBPKAROQSV-NXEZZACHSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)c(C)c1 ZINC000023864156 182369660 /nfs/dbraw/zinc/36/96/60/182369660.db2.gz NEAFCQOFBKMFPJ-ZDUSSCGKSA-N 0 0 323.845 3.996 10 0 DHAERN CC(C)c1nnc(NC(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000025323167 182409511 /nfs/dbraw/zinc/40/95/11/182409511.db2.gz MQBYQQTWWLIFMY-VOTSOKGWSA-N 0 0 307.806 3.967 10 0 DHAERN Brc1ccc(N2N=NC[C@H]2c2ccncc2)cc1 ZINC000026169175 182432079 /nfs/dbraw/zinc/43/20/79/182432079.db2.gz CSEWAWUHTLLVMU-ZDUSSCGKSA-N 0 0 303.163 3.773 10 0 DHAERN Brc1noc(-c2ccccc2)c1Br ZINC000098178123 193791612 /nfs/dbraw/zinc/79/16/12/193791612.db2.gz WVTQMFMKUBGPCW-UHFFFAOYSA-N 0 0 302.953 3.867 10 0 DHAERN CCOC(=O)Cc1ccc2c(c1)N=C(c1ccc(C)cc1)CO2 ZINC000033890732 182725480 /nfs/dbraw/zinc/72/54/80/182725480.db2.gz ZKRHNAQFQZIGMU-UHFFFAOYSA-N 0 0 309.365 3.614 10 0 DHAERN Cc1nn(-c2ccc(Cl)cc2)c(C)c1C(=O)NCC(C)C ZINC000035961354 182790673 /nfs/dbraw/zinc/79/06/73/182790673.db2.gz IJZXDKNWAKSZFL-UHFFFAOYSA-N 0 0 305.809 3.528 10 0 DHAERN CCOC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000036387668 182822506 /nfs/dbraw/zinc/82/25/06/182822506.db2.gz ABWFGJWIRFPJSB-UHFFFAOYSA-N 0 0 303.358 3.530 10 0 DHAERN Nc1nc(CSc2ccc(Br)cc2)cs1 ZINC000037375225 182884917 /nfs/dbraw/zinc/88/49/17/182884917.db2.gz ALDMQVQGJRCLPR-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN O=C(Cc1ccc(NCc2ccoc2)cc1)NCc1ccccc1 ZINC000037555138 182906517 /nfs/dbraw/zinc/90/65/17/182906517.db2.gz OVRDEHURFOSSDP-UHFFFAOYSA-N 0 0 320.392 3.751 10 0 DHAERN CC(=O)CC(=O)Nc1cc(Cl)c(OC(F)F)c(Cl)c1 ZINC000037790707 182926033 /nfs/dbraw/zinc/92/60/33/182926033.db2.gz BFRDCWUVSOGZJZ-UHFFFAOYSA-N 0 0 312.099 3.512 10 0 DHAERN COc1cc(F)c(C(=O)c2ccc(Br)o2)c(F)c1 ZINC000037903144 182935515 /nfs/dbraw/zinc/93/55/15/182935515.db2.gz QDAMSTOYFFHAMY-UHFFFAOYSA-N 0 0 317.085 3.560 10 0 DHAERN CCc1cnc(NC(=O)OCC(Cl)(Cl)Cl)s1 ZINC000039123836 183014073 /nfs/dbraw/zinc/01/40/73/183014073.db2.gz ZDBWNFISCKKUQA-UHFFFAOYSA-N 0 0 303.598 3.624 10 0 DHAERN O=C(Cn1c2ccccc2nc1-c1ccco1)N1CCCCCC1 ZINC000040239083 183048573 /nfs/dbraw/zinc/04/85/73/183048573.db2.gz CPUFKZIBAQEEDK-UHFFFAOYSA-N 0 0 323.396 3.699 10 0 DHAERN CCc1ccc(OCc2nc3ccccc3n2CCOC)cc1 ZINC000040235266 183048763 /nfs/dbraw/zinc/04/87/63/183048763.db2.gz RNXQRUZSQPTRFZ-UHFFFAOYSA-N 0 0 310.397 3.824 10 0 DHAERN CCCn1c(CNC(=O)c2ccccc2F)nc2ccccc21 ZINC000040277837 183050880 /nfs/dbraw/zinc/05/08/80/183050880.db2.gz QEQRTYLCOJCKKP-UHFFFAOYSA-N 0 0 311.360 3.515 10 0 DHAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)C)c1 ZINC000040306707 183053339 /nfs/dbraw/zinc/05/33/39/183053339.db2.gz VRSWHFXWTJPOPN-UHFFFAOYSA-N 0 0 307.397 3.536 10 0 DHAERN CCCNC(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040306697 183053415 /nfs/dbraw/zinc/05/34/15/183053415.db2.gz VVLDDQDUOHGTOR-UHFFFAOYSA-N 0 0 307.397 3.538 10 0 DHAERN CC(C)(C)c1nc2cc(C(F)(F)F)ccc2n1CCCO ZINC000040402156 183061379 /nfs/dbraw/zinc/06/13/79/183061379.db2.gz AFEAPEJBCBHYHH-UHFFFAOYSA-N 0 0 300.324 3.735 10 0 DHAERN COCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040404748 183062299 /nfs/dbraw/zinc/06/22/99/183062299.db2.gz KCSOHMGCXUTCGU-UHFFFAOYSA-N 0 0 316.788 3.915 10 0 DHAERN CCCCN(C)c1ncnc(Oc2cc(C)cc(C)c2)c1N ZINC000040681326 183117011 /nfs/dbraw/zinc/11/70/11/183117011.db2.gz RCVOZHOQJURCQQ-UHFFFAOYSA-N 0 0 300.406 3.704 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccc(C)n3)c2N)c1 ZINC000040681690 183117116 /nfs/dbraw/zinc/11/71/16/183117116.db2.gz ZYNBWJYNQDJJBO-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1cc(C)cc(Nc2[nH]cnc(=NNc3ccccc3)c2N)c1 ZINC000040681921 183117196 /nfs/dbraw/zinc/11/71/96/183117196.db2.gz KQHLSRZZROXMGD-UHFFFAOYSA-N 0 0 320.400 3.858 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2cccnc2)c1N ZINC000040688245 183117722 /nfs/dbraw/zinc/11/77/22/183117722.db2.gz IWALOKRUGWHKJX-UHFFFAOYSA-N 0 0 306.373 3.503 10 0 DHAERN CCc1ccc(Nc2ncnc(N3CCCCCC3)c2N)cc1 ZINC000040688417 183117865 /nfs/dbraw/zinc/11/78/65/183117865.db2.gz PFBDVHLTIWOAPS-UHFFFAOYSA-N 0 0 311.433 3.745 10 0 DHAERN Nc1c(Sc2ccccc2)ncnc1N1CCc2ccccc21 ZINC000040687381 183118072 /nfs/dbraw/zinc/11/80/72/183118072.db2.gz PBVPJYGYVONKJH-UHFFFAOYSA-N 0 0 320.421 3.904 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)c1 ZINC000040701216 183119666 /nfs/dbraw/zinc/11/96/66/183119666.db2.gz GVVVPWCIMZAZBS-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CCN(CC)c1ncnc(Nc2ccc(Cl)cc2C)c1N ZINC000040703135 183119795 /nfs/dbraw/zinc/11/97/95/183119795.db2.gz NCWBCVYKCCVTLH-UHFFFAOYSA-N 0 0 305.813 3.610 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)c1 ZINC000040701352 183120052 /nfs/dbraw/zinc/12/00/52/183120052.db2.gz YJBLZNDPLYCCFE-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(N3CCCCCC3)c2N)c1 ZINC000040704393 183120116 /nfs/dbraw/zinc/12/01/16/183120116.db2.gz LQZZHJDTIARVCZ-UHFFFAOYSA-N 0 0 311.433 3.800 10 0 DHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1NC1CCCCC1 ZINC000040708557 183121168 /nfs/dbraw/zinc/12/11/68/183121168.db2.gz OADHVTQEBXEGMO-UHFFFAOYSA-N 0 0 318.812 3.595 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3nccs3)c2N)cc1 ZINC000040780823 183133248 /nfs/dbraw/zinc/13/32/48/183133248.db2.gz ACCULPTVXWQQBS-UHFFFAOYSA-N 0 0 315.427 3.719 10 0 DHAERN COc1ccccc1Nc1ncnc(OC2CCCCC2)c1N ZINC000040781604 183133340 /nfs/dbraw/zinc/13/33/40/183133340.db2.gz MPIBYPUKCSXYMU-UHFFFAOYSA-N 0 0 314.389 3.523 10 0 DHAERN Nc1c(NCCC2=CCCCC2)ncnc1N1CCCCCC1 ZINC000040725437 183124526 /nfs/dbraw/zinc/12/45/26/183124526.db2.gz PIXRPJJXFGKTIU-UHFFFAOYSA-N 0 0 315.465 3.742 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3cccnc3)c2N)cc1 ZINC000040759713 183130544 /nfs/dbraw/zinc/13/05/44/183130544.db2.gz NINFPGQAGKTSMH-UHFFFAOYSA-N 0 0 309.398 3.657 10 0 DHAERN CCOc1ccc(-c2cn3nc(SCC)sc3n2)cc1 ZINC000040965105 183152257 /nfs/dbraw/zinc/15/22/57/183152257.db2.gz BCBINWAGYJBCQK-UHFFFAOYSA-N 0 0 305.428 3.969 10 0 DHAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1ccncc1 ZINC000041057150 183160280 /nfs/dbraw/zinc/16/02/80/183160280.db2.gz GTLGQWVMAYXNLW-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN COc1cc(C(=O)Nc2ccnc3c(F)cccc23)ccc1C ZINC000041058120 183161051 /nfs/dbraw/zinc/16/10/51/183161051.db2.gz KSNJAQKNODPSMP-UHFFFAOYSA-N 0 0 310.328 3.943 10 0 DHAERN COc1cc2c(cc1OC)[C@H](CC(=O)NC1CCCCC1)CC2 ZINC000040866267 183144674 /nfs/dbraw/zinc/14/46/74/183144674.db2.gz TZGNAIJIRIIDIG-AWEZNQCLSA-N 0 0 317.429 3.573 10 0 DHAERN CC(C)(C)c1ccc(C(=O)N2CCCC2)cc1Br ZINC000040869638 183145102 /nfs/dbraw/zinc/14/51/02/183145102.db2.gz ITKKKZJKJNWODZ-UHFFFAOYSA-N 0 0 310.235 3.983 10 0 DHAERN OC[C@@H](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000041531958 183199055 /nfs/dbraw/zinc/19/90/55/183199055.db2.gz UETXQBCQXNDRMO-HNNXBMFYSA-N 0 0 305.215 3.843 10 0 DHAERN COc1cccc(C[C@H](O)c2cccc(Br)c2)c1 ZINC000041538329 183200189 /nfs/dbraw/zinc/20/01/89/183200189.db2.gz YUSKIIXQQKJISL-HNNXBMFYSA-N 0 0 307.187 3.734 10 0 DHAERN Nc1cc(Br)cc2nc(CCc3ccco3)oc21 ZINC000041569866 183204612 /nfs/dbraw/zinc/20/46/12/183204612.db2.gz OTPPDIMOAMVOHK-UHFFFAOYSA-N 0 0 307.147 3.551 10 0 DHAERN COc1ccc(-c2csc(Br)n2)cc1OC ZINC000041507395 183194510 /nfs/dbraw/zinc/19/45/10/183194510.db2.gz IBXMAOXYCDYLDH-UHFFFAOYSA-N 0 0 300.177 3.590 10 0 DHAERN CC(C)c1ccc(CN(C)C(=O)C(C)(C)Br)cc1 ZINC000041689400 183217598 /nfs/dbraw/zinc/21/75/98/183217598.db2.gz VGWVBZTZMJXBFB-UHFFFAOYSA-N 0 0 312.251 3.942 10 0 DHAERN Cc1ccc(-c2nnnn2-c2cc(Cl)cc(Cl)c2)cc1N ZINC000042015025 183229149 /nfs/dbraw/zinc/22/91/49/183229149.db2.gz UEQJRBFEZBYJEW-UHFFFAOYSA-N 0 0 320.183 3.527 10 0 DHAERN CN(Cc1cc(Br)cs1)c1ccc(F)cc1N ZINC000042399060 183264513 /nfs/dbraw/zinc/26/45/13/183264513.db2.gz NJZWZDLGRFYCCH-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN Nc1cc(Br)cnc1N(Cc1cccs1)C1CC1 ZINC000042515211 183278337 /nfs/dbraw/zinc/27/83/37/183278337.db2.gz DEVGFLGYCJZUGO-UHFFFAOYSA-N 0 0 324.247 3.657 10 0 DHAERN CN(Cc1cc(Br)cs1)c1ccc(N)cc1F ZINC000042399075 183264018 /nfs/dbraw/zinc/26/40/18/183264018.db2.gz PFBNDFPDNLJELU-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN CCN(CC(F)(F)F)c1cc(Br)ccc1C=O ZINC000042770108 183306785 /nfs/dbraw/zinc/30/67/85/183306785.db2.gz CCLLBHBGLBIPEZ-UHFFFAOYSA-N 0 0 310.113 3.650 10 0 DHAERN CC[C@H](C)N(CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587219 183287936 /nfs/dbraw/zinc/28/79/36/183287936.db2.gz YRYZHTSNTLVQOP-QWRGUYRKSA-N 0 0 303.855 3.720 10 0 DHAERN Cc1csc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000043242026 183346576 /nfs/dbraw/zinc/34/65/76/183346576.db2.gz PRLZXBQXVGHZHS-BDAKNGLRSA-N 0 0 307.341 3.694 10 0 DHAERN CC(C)[C@H](c1cccs1)n1ncc(Br)c1N ZINC000043666510 183377633 /nfs/dbraw/zinc/37/76/33/183377633.db2.gz KOYVVXXRWDKVFF-SNVBAGLBSA-N 0 0 300.225 3.535 10 0 DHAERN Nc1cccnc1SCc1cc(Br)cs1 ZINC000043687591 183380882 /nfs/dbraw/zinc/38/08/82/183380882.db2.gz JXKXQOSFRNYVLQ-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN Brc1cnn(Cc2cc(Br)cs2)c1 ZINC000043687465 183381537 /nfs/dbraw/zinc/38/15/37/183381537.db2.gz KROSUVGVUTVYIZ-UHFFFAOYSA-N 0 0 322.025 3.518 10 0 DHAERN FC(F)(F)c1cccc(-c2cc(Br)ncn2)c1 ZINC000044119113 183395030 /nfs/dbraw/zinc/39/50/30/183395030.db2.gz IFNGTWFOGPSPDH-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000105029610 194065516 /nfs/dbraw/zinc/06/55/16/194065516.db2.gz NPGUQTDQDNLNQT-SWLSCSKDSA-N 0 0 313.426 3.904 10 0 DHAERN COC(=O)[C@H](C)Oc1ccc2cc(Br)ccc2c1 ZINC000047822409 183605637 /nfs/dbraw/zinc/60/56/37/183605637.db2.gz IAYAPAIHDGVDNJ-VIFPVBQESA-N 0 0 309.159 3.543 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1c(F)cccc1F)C2 ZINC000106370338 194201827 /nfs/dbraw/zinc/20/18/27/194201827.db2.gz CLZTYSYJWXVYTR-GFCCVEGCSA-N 0 0 319.399 3.941 10 0 DHAERN CCCC(=O)Nc1n[nH]c2cc(Cl)c(Br)cc21 ZINC000049066403 183709854 /nfs/dbraw/zinc/70/98/54/183709854.db2.gz OUSZOHRCKAHZAA-UHFFFAOYSA-N 0 0 316.586 3.717 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cc(F)cc(F)c1Br ZINC000190685306 335044480 /nfs/dbraw/zinc/04/44/80/335044480.db2.gz DZXLSHKNGPZJGS-ZETCQYMHSA-N 0 0 321.165 3.893 10 0 DHAERN Cc1cc(NC(=O)c2ccc(N)c(F)c2)ccc1Br ZINC000054405285 183939222 /nfs/dbraw/zinc/93/92/22/183939222.db2.gz KFFRSZGNDHFVGL-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN CC[C@H](C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 ZINC000056660411 184017042 /nfs/dbraw/zinc/01/70/42/184017042.db2.gz IOFFNKNGYALMQM-ZENOOKHLSA-N 0 0 306.406 3.553 10 0 DHAERN CC(C)Nc1nc(Cl)c2c(n1)CCN(Cc1ccccc1)C2 ZINC000057345906 184034484 /nfs/dbraw/zinc/03/44/84/184034484.db2.gz QMCIBOHKGGJLJR-UHFFFAOYSA-N 0 0 316.836 3.509 10 0 DHAERN COCc1cc(Cl)nc(Nc2cccc(Cl)c2F)n1 ZINC000057343636 184034559 /nfs/dbraw/zinc/03/45/59/184034559.db2.gz ARNSULKPOVMVHH-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN Cc1nnc([C@@H](Nc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057840108 184056597 /nfs/dbraw/zinc/05/65/97/184056597.db2.gz XTTQTWMCBNJRSR-HNNXBMFYSA-N 0 0 321.409 3.924 10 0 DHAERN O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccccc2N1 ZINC000058494545 184120284 /nfs/dbraw/zinc/12/02/84/184120284.db2.gz JRSSPGAASMBGRO-AWEZNQCLSA-N 0 0 306.287 3.681 10 0 DHAERN CC[C@@H](N)c1nnc(-c2ccc(Br)cc2Cl)o1 ZINC000061497358 184171740 /nfs/dbraw/zinc/17/17/40/184171740.db2.gz PTEDEDAWZHDJNK-SECBINFHSA-N 0 0 316.586 3.562 10 0 DHAERN CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000062109409 184206603 /nfs/dbraw/zinc/20/66/03/184206603.db2.gz MGZWJEQMZZWOEO-OAHLLOKOSA-N 0 0 318.417 3.587 10 0 DHAERN CCCn1ccnc1CNc1cc(Br)ccc1C ZINC000061877885 184192111 /nfs/dbraw/zinc/19/21/11/184192111.db2.gz OJSFKCHPLCAAQY-UHFFFAOYSA-N 0 0 308.223 3.976 10 0 DHAERN O[C@H](c1ccc2c(c1)COC2)c1ccccc1Br ZINC000062334844 184231016 /nfs/dbraw/zinc/23/10/16/184231016.db2.gz PNEFDHYMJMGWSF-OAHLLOKOSA-N 0 0 305.171 3.561 10 0 DHAERN Nc1c(Br)cccc1-c1n[nH]c(C2CCCCC2)n1 ZINC000062826813 184254816 /nfs/dbraw/zinc/25/48/16/184254816.db2.gz RRSPJLNQJAKOJB-UHFFFAOYSA-N 0 0 321.222 3.864 10 0 DHAERN COc1ccc(C(=O)Nc2cnc3cc(OC)ccc3c2)cc1 ZINC000065008845 184308209 /nfs/dbraw/zinc/30/82/09/184308209.db2.gz UPUBFTDMNAIVHU-UHFFFAOYSA-N 0 0 308.337 3.504 10 0 DHAERN CCC(=O)N1CCC[C@@H](c2ccnc(Nc3ccc(C)cc3)n2)C1 ZINC000065148115 184311551 /nfs/dbraw/zinc/31/15/51/184311551.db2.gz WTXBTYPHVBEJFF-OAHLLOKOSA-N 0 0 324.428 3.645 10 0 DHAERN CC(C)(C)c1ccc2oc(Cn3cc4[nH]cccc-4c3=O)nc2c1 ZINC000065464996 184350399 /nfs/dbraw/zinc/35/03/99/184350399.db2.gz AZMAWEZBMVMPPS-UHFFFAOYSA-N 0 0 321.380 3.676 10 0 DHAERN CC(C)c1nc2cc(O)ccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000066054781 184385260 /nfs/dbraw/zinc/38/52/60/184385260.db2.gz OJVMSICJWQFIOS-UHFFFAOYSA-N 0 0 314.772 3.868 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H](O)c3cc(F)ccc32)c(C)o1 ZINC000096011724 256553211 /nfs/dbraw/zinc/55/32/11/256553211.db2.gz MOGWAKAETHIAFH-MRXNPFEDSA-N 0 0 303.333 3.510 10 0 DHAERN CCOCC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2cccn21 ZINC000253387066 257105493 /nfs/dbraw/zinc/10/54/93/257105493.db2.gz ZAKBMRYWDWYPTL-GOSISDBHSA-N 0 0 316.445 3.689 10 0 DHAERN Cc1ccc(NC(=O)C2CCN(c3ccccc3F)CC2)cc1 ZINC000010342976 134495315 /nfs/dbraw/zinc/49/53/15/134495315.db2.gz KIMPFNNUUZGEQH-UHFFFAOYSA-N 0 0 312.388 3.989 10 0 DHAERN Cc1ccc(CN2c3cc(Cl)ccc3O[C@@H](C)C2=O)cc1 ZINC000019991472 134642157 /nfs/dbraw/zinc/64/21/57/134642157.db2.gz JOLGNMSQNGIHAN-LBPRGKRZSA-N 0 0 301.773 3.963 10 0 DHAERN C[C@H]1CCCCN1c1ccc(-c2nc(-c3ccccc3)no2)nn1 ZINC000046914356 134746905 /nfs/dbraw/zinc/74/69/05/134746905.db2.gz VTYLDYZKJHNAEZ-ZDUSSCGKSA-N 0 0 321.384 3.572 10 0 DHAERN Cc1ncc(CN2CCN([C@@H](C)c3cccc(C)c3)CC2)s1 ZINC000173673040 332835512 /nfs/dbraw/zinc/83/55/12/332835512.db2.gz LONIBZGIVDTWSL-HNNXBMFYSA-N 0 0 315.486 3.639 10 0 DHAERN NC(=O)/C=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000409416249 332838377 /nfs/dbraw/zinc/83/83/77/332838377.db2.gz RFIXVVPWLNVCFT-ALCCZGGFSA-N 0 0 305.736 3.557 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000170878627 332893726 /nfs/dbraw/zinc/89/37/26/332893726.db2.gz SXSOJCWNCSZJSG-ZJUUUORDSA-N 0 0 316.829 3.687 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cc(Cl)cc(Cl)c2)CCS1 ZINC000170902942 332898391 /nfs/dbraw/zinc/89/83/91/332898391.db2.gz FESCYJAHINSLIX-QMMMGPOBSA-N 0 0 305.230 3.963 10 0 DHAERN CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000175607706 332898725 /nfs/dbraw/zinc/89/87/25/332898725.db2.gz CHTAVITUKJLVDZ-JCGIZDLHSA-N 0 0 317.429 3.648 10 0 DHAERN Cc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109084518 331509877 /nfs/dbraw/zinc/50/98/77/331509877.db2.gz PKVKATIPTVSXOA-CABCVRRESA-N 0 0 301.336 3.693 10 0 DHAERN COc1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cc1F ZINC000109088191 331510257 /nfs/dbraw/zinc/51/02/57/331510257.db2.gz PMMUKICCCROHLV-RYUDHWBXSA-N 0 0 321.298 3.855 10 0 DHAERN O=C(NCc1cccc(F)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000047423599 331563018 /nfs/dbraw/zinc/56/30/18/331563018.db2.gz SBUUBVWFSJJTHA-AAEUAGOBSA-N 0 0 318.314 3.746 10 0 DHAERN C[C@H](NC(=O)NCc1ccccn1)c1ccc2ccccc2c1 ZINC000053246819 331692023 /nfs/dbraw/zinc/69/20/23/331692023.db2.gz OXRFSODDFWVSMZ-AWEZNQCLSA-N 0 0 305.381 3.795 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)/C=C\C1CCCCC1 ZINC000255391689 331737382 /nfs/dbraw/zinc/73/73/82/331737382.db2.gz JWVVNHQPJRBJBX-WFTPILKQSA-N 0 0 315.461 3.837 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(F)c(Br)c1 ZINC000231691525 331788452 /nfs/dbraw/zinc/78/84/52/331788452.db2.gz UYTAUNQAQIYWLR-PELKAZGASA-N 0 0 300.171 3.507 10 0 DHAERN Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000076957821 331957034 /nfs/dbraw/zinc/95/70/34/331957034.db2.gz QLHPZOQMZVOYBE-QZTJIDSGSA-N 0 0 312.413 3.869 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(F)ccc2O)o1 ZINC000091743909 332082857 /nfs/dbraw/zinc/08/28/57/332082857.db2.gz HPGWJCYSYCOWTO-AWEZNQCLSA-N 0 0 303.333 3.800 10 0 DHAERN COCCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000091235182 332101775 /nfs/dbraw/zinc/10/17/75/332101775.db2.gz OYQSUAXTYWOJOH-NSHDSACASA-N 0 0 318.870 3.777 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cn(C)nc2C(C)(C)C)cc1F ZINC000092282214 332123872 /nfs/dbraw/zinc/12/38/72/332123872.db2.gz ZJIRMZYWMFPCDQ-LBPRGKRZSA-N 0 0 317.408 3.656 10 0 DHAERN O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2cc[nH]c2c1 ZINC000133475415 332140195 /nfs/dbraw/zinc/14/01/95/332140195.db2.gz IAQMRAGBWLEZOC-UHFFFAOYSA-N 0 0 305.259 3.834 10 0 DHAERN C[C@H](NC(=O)CC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000176524579 332945968 /nfs/dbraw/zinc/94/59/68/332945968.db2.gz DYYIIOIICIPOPW-QWRGUYRKSA-N 0 0 316.228 3.987 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000181025096 332173252 /nfs/dbraw/zinc/17/32/52/332173252.db2.gz MVTBBDQMUWYJFK-RDTXWAMCSA-N 0 0 321.848 3.724 10 0 DHAERN CCNC(=O)C(C)(C)C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000181136665 332179801 /nfs/dbraw/zinc/17/98/01/332179801.db2.gz NOQGQTYDBRFWOK-LJQANCHMSA-N 0 0 324.468 3.836 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CCC1CCOCC1)[C@@H](C)C2 ZINC000181247401 332188198 /nfs/dbraw/zinc/18/81/98/332188198.db2.gz DWFOFVBIPMCFJX-LIRRHRJNSA-N 0 0 301.430 3.551 10 0 DHAERN CC[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000150890165 332450507 /nfs/dbraw/zinc/45/05/07/332450507.db2.gz KUVCBBCTRDKISJ-HIFRSBDPSA-N 0 0 302.418 3.730 10 0 DHAERN CC[C@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000150890127 332450569 /nfs/dbraw/zinc/45/05/69/332450569.db2.gz KUVCBBCTRDKISJ-DZGCQCFKSA-N 0 0 302.418 3.730 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)Nc2ccsc2)C12CCCC2 ZINC000157519985 332526382 /nfs/dbraw/zinc/52/63/82/332526382.db2.gz KYBNHFVDDNSOFX-ZIAGYGMSSA-N 0 0 308.447 3.950 10 0 DHAERN C[C@H]1CC[C@H](C(=O)NCc2ccc(OC3CCCCC3)cc2)O1 ZINC000151379603 332574542 /nfs/dbraw/zinc/57/45/42/332574542.db2.gz DHVNRSVQUJCWSA-KBXCAEBGSA-N 0 0 317.429 3.582 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2ccccc2-c2ccccc2)O1 ZINC000151479259 332580676 /nfs/dbraw/zinc/58/06/76/332580676.db2.gz CHBKYKFXDMWTOO-BEFAXECRSA-N 0 0 309.409 3.880 10 0 DHAERN C[C@H]1CN(C(=O)[C@@H](OC(C)(C)C)c2ccccc2)CCS1 ZINC000152854807 332645510 /nfs/dbraw/zinc/64/55/10/332645510.db2.gz NIMTZUUZOYRHJV-ZFWWWQNUSA-N 0 0 307.459 3.507 10 0 DHAERN C[C@H](NC(=O)CCc1ccoc1)c1ccccc1Br ZINC000177065178 332969209 /nfs/dbraw/zinc/96/92/09/332969209.db2.gz BVRNHRHMXQZZTM-NSHDSACASA-N 0 0 322.202 3.852 10 0 DHAERN CC(C)COCCNc1ncc(Br)cc1Cl ZINC000232752457 335117190 /nfs/dbraw/zinc/11/71/90/335117190.db2.gz VGPMYYVECJMYBD-UHFFFAOYSA-N 0 0 307.619 3.582 10 0 DHAERN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC000171748855 333053919 /nfs/dbraw/zinc/05/39/19/333053919.db2.gz NRSLOOQODBFTAR-QWRGUYRKSA-N 0 0 319.273 3.622 10 0 DHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccs1 ZINC000172345628 333061920 /nfs/dbraw/zinc/06/19/20/333061920.db2.gz NHYSLOYPXLJGHA-GXTWGEPZSA-N 0 0 303.431 3.997 10 0 DHAERN C[C@H]1Sc2ccccc2N(Cc2nnc(C3CC3)n2C)[C@@H]1C ZINC000177343780 333127467 /nfs/dbraw/zinc/12/74/67/333127467.db2.gz COHVNDOPEBXDLI-VXGBXAGGSA-N 0 0 314.458 3.582 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H]1CCc3ccc(F)cc31)C2 ZINC000177714349 333131640 /nfs/dbraw/zinc/13/16/40/333131640.db2.gz OILODOOCQPYWHL-KRWDZBQOSA-N 0 0 313.420 3.728 10 0 DHAERN CC(=O)CCC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000178006094 333134486 /nfs/dbraw/zinc/13/44/86/333134486.db2.gz SBMODQAABIALLQ-GXFFZTMASA-N 0 0 314.212 3.582 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000187991839 333156029 /nfs/dbraw/zinc/15/60/29/333156029.db2.gz DTZWIWHMEHRCNL-SUMWQHHRSA-N 0 0 303.402 3.762 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000187981735 333156063 /nfs/dbraw/zinc/15/60/63/333156063.db2.gz DLITZDXISITJDB-GUYCJALGSA-N 0 0 303.402 3.762 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182171608 333161728 /nfs/dbraw/zinc/16/17/28/333161728.db2.gz GXEKIBGMUNEMQT-HOCLYGCPSA-N 0 0 306.454 3.863 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCc1ccccc1O)[C@H](C)C2 ZINC000182181502 333177234 /nfs/dbraw/zinc/17/72/34/333177234.db2.gz CICAWVPGYMFFHJ-JLTOFOAXSA-N 0 0 309.409 3.683 10 0 DHAERN CCn1cc([C@@H](C)Nc2ccc(-n3ccnc3)c(Cl)c2)cn1 ZINC000183032285 333182334 /nfs/dbraw/zinc/18/23/34/333182334.db2.gz QTKRLNAESXNTHB-GFCCVEGCSA-N 0 0 315.808 3.915 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182196412 333183392 /nfs/dbraw/zinc/18/33/92/333183392.db2.gz KBOIORSEALOBPL-WBMJQRKESA-N 0 0 315.438 3.866 10 0 DHAERN Cc1ccsc1[C@@H]([NH2+]C[C@@H](C)O)c1ccc(Cl)cc1F ZINC000182510295 335128136 /nfs/dbraw/zinc/12/81/36/335128136.db2.gz UMCMCFNMGSUVDU-YGRLFVJLSA-N 0 0 313.825 3.909 10 0 DHAERN Cc1ccsc1[C@H]([NH2+]C[C@H](C)O)c1ccc(Cl)cc1F ZINC000182510315 335128202 /nfs/dbraw/zinc/12/82/02/335128202.db2.gz UMCMCFNMGSUVDU-IINYFYTJSA-N 0 0 313.825 3.909 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000192688331 333291346 /nfs/dbraw/zinc/29/13/46/333291346.db2.gz OPZRAPYLNHRBNV-TVQRCGJNSA-N 0 0 304.217 3.578 10 0 DHAERN CCOCCCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000020539364 333321426 /nfs/dbraw/zinc/32/14/26/333321426.db2.gz VFNCLOHGZRGSSX-AWEZNQCLSA-N 0 0 300.402 3.627 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000110051911 333326271 /nfs/dbraw/zinc/32/62/71/333326271.db2.gz AJSQBNCIYAKSFK-SFYZADRCSA-N 0 0 311.838 3.722 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1Cl ZINC000188375979 333364642 /nfs/dbraw/zinc/36/46/42/333364642.db2.gz SBHONSIGSGNXQR-AAEUAGOBSA-N 0 0 311.809 3.881 10 0 DHAERN CCOC(C)(C)CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000187780475 334273101 /nfs/dbraw/zinc/27/31/01/334273101.db2.gz LQXJZXUAYSMYIS-SNVBAGLBSA-N 0 0 316.804 3.654 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CC3(CCCC3)OC(C)(C)C2)o1 ZINC000187827536 334274173 /nfs/dbraw/zinc/27/41/73/334274173.db2.gz NWSUILVGKIMNAY-CQSZACIVSA-N 0 0 320.433 3.782 10 0 DHAERN C[C@@H](NC(=O)N1CC2(CCCC2)OC(C)(C)C1)c1cccs1 ZINC000187750973 334271651 /nfs/dbraw/zinc/27/16/51/334271651.db2.gz GVSDPGPMLUFEKN-CYBMUJFWSA-N 0 0 322.474 3.942 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111790047 334357288 /nfs/dbraw/zinc/35/72/88/334357288.db2.gz ORAHLKFKJBYCOH-SJORKVTESA-N 0 0 320.481 3.754 10 0 DHAERN C[C@H](NC(=O)N1CCSCC1)c1ccc2ccccc2c1 ZINC000049787277 334359433 /nfs/dbraw/zinc/35/94/33/334359433.db2.gz MILSPGPNGJHMJM-ZDUSSCGKSA-N 0 0 300.427 3.659 10 0 DHAERN COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1OC ZINC000031107659 334386617 /nfs/dbraw/zinc/38/66/17/334386617.db2.gz IPHJIERDKZXTJB-UHFFFAOYSA-N 0 0 323.392 3.633 10 0 DHAERN Cc1nccnc1[C@@H](C)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000188409489 334707711 /nfs/dbraw/zinc/70/77/11/334707711.db2.gz YIAJAZZYXNTYTD-GFCCVEGCSA-N 0 0 313.792 3.797 10 0 DHAERN CC(C)Oc1cncc(N[C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000125899492 334820459 /nfs/dbraw/zinc/82/04/59/334820459.db2.gz RLMJTGFEOPDYIP-AWEZNQCLSA-N 0 0 323.400 3.623 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1F ZINC000053961626 335848637 /nfs/dbraw/zinc/84/86/37/335848637.db2.gz UIFYPSVNVGZHMY-HNNXBMFYSA-N 0 0 300.333 3.779 10 0 DHAERN CCc1ccc([C@H](C)NS(=O)(=O)CCc2cccs2)cc1 ZINC000192004129 336011576 /nfs/dbraw/zinc/01/15/76/336011576.db2.gz YCMMBHFRFUNESZ-ZDUSSCGKSA-N 0 0 323.483 3.534 10 0 DHAERN C[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCS1 ZINC000192432606 336032219 /nfs/dbraw/zinc/03/22/19/336032219.db2.gz VIFXZFOUWYBYPQ-BLLLJJGKSA-N 0 0 322.449 3.740 10 0 DHAERN C[C@H](CC1CCCCC1)c1nc([C@H]2CN3CCC[C@@H]3CO2)no1 ZINC000329703523 336060782 /nfs/dbraw/zinc/06/07/82/336060782.db2.gz IIXOJJDSZHWLGB-FVQBIDKESA-N 0 0 319.449 3.679 10 0 DHAERN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@H]1CC12CCCC2 ZINC000329995957 336104079 /nfs/dbraw/zinc/10/40/79/336104079.db2.gz OAUFCFQULUJJOJ-QGZVFWFLSA-N 0 0 314.429 3.796 10 0 DHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@@H](n2cccn2)C1 ZINC000333185991 336199490 /nfs/dbraw/zinc/19/94/90/336199490.db2.gz NZOVEXYNBJZPCA-OAHLLOKOSA-N 0 0 323.400 3.542 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCCC2(CCOCC2)C1 ZINC000333502628 336204713 /nfs/dbraw/zinc/20/47/13/336204713.db2.gz VXMIODLHETUCGG-UHFFFAOYSA-N 0 0 313.401 3.592 10 0 DHAERN C[C@@H]1OCCC[C@@H]1c1nc(-c2cnccc2C(C)(C)C)no1 ZINC000333903265 336211900 /nfs/dbraw/zinc/21/19/00/336211900.db2.gz ZTNXYUQOWKADOY-RYUDHWBXSA-N 0 0 301.390 3.712 10 0 DHAERN C[C@H]1OCCC[C@@H]1c1nc(-c2cnccc2C(C)(C)C)no1 ZINC000333903263 336211929 /nfs/dbraw/zinc/21/19/29/336211929.db2.gz ZTNXYUQOWKADOY-NEPJUHHUSA-N 0 0 301.390 3.712 10 0 DHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000334126261 336218868 /nfs/dbraw/zinc/21/88/68/336218868.db2.gz PNZKLSIZQOZFBD-HOTGVXAUSA-N 0 0 318.465 3.773 10 0 DHAERN CCN(C(=O)[C@@H](C)COC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000103373327 336240437 /nfs/dbraw/zinc/24/04/37/336240437.db2.gz ADTNWEPUQKUNLD-NWDGAFQWSA-N 0 0 317.351 3.897 10 0 DHAERN COC[C@@H](C)C(=O)N1CC[C@@H](C)Sc2ccc(Cl)cc21 ZINC000103382974 336241210 /nfs/dbraw/zinc/24/12/10/336241210.db2.gz JVXHSQOFKZFVFH-GHMZBOCLSA-N 0 0 313.850 3.840 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000103383273 336241353 /nfs/dbraw/zinc/24/13/53/336241353.db2.gz RMULFCWUZXJUCS-CYBMUJFWSA-N 0 0 317.360 3.626 10 0 DHAERN CC[C@H](NC(=O)c1ccc(Br)c(F)c1)C(C)C ZINC000043581380 336266984 /nfs/dbraw/zinc/26/69/84/336266984.db2.gz MTQISODXGLKCPH-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN Cc1ccc2ncnc(N[C@H]3CCN(c4ccccc4)C3)c2c1 ZINC000301181941 336293724 /nfs/dbraw/zinc/29/37/24/336293724.db2.gz IDUWDRYIDMRZSD-HNNXBMFYSA-N 0 0 304.397 3.629 10 0 DHAERN Cc1ccc2ncnc(N[C@@H]3CCN(c4ccccc4)C3)c2c1 ZINC000301181942 336293757 /nfs/dbraw/zinc/29/37/57/336293757.db2.gz IDUWDRYIDMRZSD-OAHLLOKOSA-N 0 0 304.397 3.629 10 0 DHAERN CSCc1cc(Nc2cc(C)nc3ncnn32)ccc1Cl ZINC000301252329 336296831 /nfs/dbraw/zinc/29/68/31/336296831.db2.gz AGVCXLXVWYGEBF-UHFFFAOYSA-N 0 0 319.821 3.693 10 0 DHAERN C[C@H](Nc1cn[nH]c(=O)c1Cl)c1cc2cc(Cl)ccc2o1 ZINC000301283555 336298610 /nfs/dbraw/zinc/29/86/10/336298610.db2.gz PIDHCJGPEJGBGO-ZETCQYMHSA-N 0 0 324.167 3.996 10 0 DHAERN C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)cc1Cl ZINC000301291393 336299106 /nfs/dbraw/zinc/29/91/06/336299106.db2.gz USHVPVPAOCXVJL-ZCFIWIBFSA-N 0 0 301.152 3.678 10 0 DHAERN CC[C@@H](CCO)Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000301327821 336300760 /nfs/dbraw/zinc/30/07/60/336300760.db2.gz CCTUPXHXWAXBQG-ZDUSSCGKSA-N 0 0 313.426 3.931 10 0 DHAERN CCc1cc2c(ncnc2N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)s1 ZINC000301347288 336301797 /nfs/dbraw/zinc/30/17/97/336301797.db2.gz KCJWUWVMKFOJQM-BNOWGMLFSA-N 0 0 317.458 3.503 10 0 DHAERN CCC(CC)[C@@H]1CCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000301358158 336302419 /nfs/dbraw/zinc/30/24/19/336302419.db2.gz LISAOPLHHBUQJQ-MRXNPFEDSA-N 0 0 313.449 3.542 10 0 DHAERN CN(C)c1ccc(CCNc2ccc(Br)cn2)cc1 ZINC000301388185 336303930 /nfs/dbraw/zinc/30/39/30/336303930.db2.gz XCPJAXSRYOSEJL-UHFFFAOYSA-N 0 0 320.234 3.565 10 0 DHAERN c1ccc([C@@H]2OCC[C@@H]2CNc2ncnc3ccccc32)cc1 ZINC000301398386 336304374 /nfs/dbraw/zinc/30/43/74/336304374.db2.gz AODGWVQBWLJUIN-QAPCUYQASA-N 0 0 305.381 3.820 10 0 DHAERN O=[S@](CCNc1ccnc2ccsc21)Cc1ccccc1 ZINC000301406083 336304795 /nfs/dbraw/zinc/30/47/95/336304795.db2.gz URWXPRXBFQACBI-OAQYLSRUSA-N 0 0 316.451 3.657 10 0 DHAERN CCS[C@H]1CC[C@]1(O)CNc1ccnc2ccc(Cl)cc21 ZINC000301491471 336310099 /nfs/dbraw/zinc/31/00/99/336310099.db2.gz NNZDOOJCSOFNPQ-HOTGVXAUSA-N 0 0 322.861 3.947 10 0 DHAERN CCS[C@@H]1CC[C@@]1(O)CNc1ccnc2cc(Cl)ccc21 ZINC000301497531 336310542 /nfs/dbraw/zinc/31/05/42/336310542.db2.gz UYQQXAOOMSNEQJ-HZPDHXFCSA-N 0 0 322.861 3.947 10 0 DHAERN CSc1ccc(N[C@@H](C)c2ccc(OC(F)F)cc2)nn1 ZINC000301553097 336314430 /nfs/dbraw/zinc/31/44/30/336314430.db2.gz VZKUHURRKPORFI-VIFPVBQESA-N 0 0 311.357 3.973 10 0 DHAERN C[C@H]1CN(C)c2ccccc2CN1c1ccnc(C(C)(C)C)n1 ZINC000301585830 336316562 /nfs/dbraw/zinc/31/65/62/336316562.db2.gz VIPZGPOEUXTNTF-AWEZNQCLSA-N 0 0 310.445 3.619 10 0 DHAERN Cc1nc2ccccc2nc1NCCc1nc2cc(F)ccc2[nH]1 ZINC000301728418 336325964 /nfs/dbraw/zinc/32/59/64/336325964.db2.gz RBKRHVDAPRNAQP-UHFFFAOYSA-N 0 0 321.359 3.608 10 0 DHAERN C[C@@H](O)[C@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301798073 336330574 /nfs/dbraw/zinc/33/05/74/336330574.db2.gz VBAADLNTJCNHQH-MNOVXSKESA-N 0 0 308.784 3.625 10 0 DHAERN COCc1cc(Oc2cccnc2Cl)nc(C(C)(C)C)n1 ZINC000301804966 336331351 /nfs/dbraw/zinc/33/13/51/336331351.db2.gz VERRQKUVUFHZBH-UHFFFAOYSA-N 0 0 307.781 3.761 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000301811159 336331548 /nfs/dbraw/zinc/33/15/48/336331548.db2.gz ZWFOCZOUYCWZPA-CVEARBPZSA-N 0 0 312.417 3.525 10 0 DHAERN Cn1cc(-c2cccc(CNc3ccnc(C(C)(C)C)n3)c2)cn1 ZINC000301876479 336335620 /nfs/dbraw/zinc/33/56/20/336335620.db2.gz KMILXYFULHNCHO-UHFFFAOYSA-N 0 0 321.428 3.787 10 0 DHAERN Cc1ccc([C@@H]2CN(c3nc4ccccc4[nH]3)CCO2)c(C)c1 ZINC000301899405 336337072 /nfs/dbraw/zinc/33/70/72/336337072.db2.gz XYTZLSDWARDCJY-SFHVURJKSA-N 0 0 307.397 3.758 10 0 DHAERN Cc1ccc2ncnc(N[C@H](C)c3ccc4c(c3)OCCO4)c2c1 ZINC000301930030 336338508 /nfs/dbraw/zinc/33/85/08/336338508.db2.gz MMEIOUPTBNUGDK-CYBMUJFWSA-N 0 0 321.380 3.883 10 0 DHAERN CCOCCN(C)c1nc(-c2ccsc2)nc2ccccc21 ZINC000301957331 336339919 /nfs/dbraw/zinc/33/99/19/336339919.db2.gz MNOKRCAWJRYJPL-UHFFFAOYSA-N 0 0 313.426 3.831 10 0 DHAERN c1ccc([C@@H]2OCC[C@H]2Nc2nnc(-c3ccccn3)s2)cc1 ZINC000302040119 336344788 /nfs/dbraw/zinc/34/47/88/336344788.db2.gz RBJYWTWZJQZWJB-HIFRSBDPSA-N 0 0 324.409 3.542 10 0 DHAERN C[C@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C[C@@H]1O ZINC000302119320 336349364 /nfs/dbraw/zinc/34/93/64/336349364.db2.gz CYWFVBDTOYKKEP-HZMBPMFUSA-N 0 0 308.834 3.671 10 0 DHAERN Cc1nc(CNc2ccc(Br)c(C)n2)c(C)s1 ZINC000302149799 336350951 /nfs/dbraw/zinc/35/09/51/336350951.db2.gz LOPITJHTCBXBPT-UHFFFAOYSA-N 0 0 312.236 3.838 10 0 DHAERN Cc1cc(NC[C@](C)(O)c2cccc(Cl)c2)nc(C(C)C)n1 ZINC000302159878 336351558 /nfs/dbraw/zinc/35/15/58/336351558.db2.gz GTHMKEDWNKGNAA-KRWDZBQOSA-N 0 0 319.836 3.881 10 0 DHAERN Cc1nc(CN(C)c2ccc3c(Cl)ccc(Cl)c3n2)no1 ZINC000302190240 336353089 /nfs/dbraw/zinc/35/30/89/336353089.db2.gz QQPHTCCRJVKAHH-UHFFFAOYSA-N 0 0 323.183 3.869 10 0 DHAERN CS(=O)(=O)c1ccc(N[C@@H]2CCCc3cc(F)ccc32)cc1 ZINC000302195791 336353485 /nfs/dbraw/zinc/35/34/85/336353485.db2.gz XHBBCHRJJVFEIS-QGZVFWFLSA-N 0 0 319.401 3.719 10 0 DHAERN CC[C@H](Nc1nccn2c1nnc2C1CC1)c1ccc(OC)cc1 ZINC000302220016 336354602 /nfs/dbraw/zinc/35/46/02/336354602.db2.gz RORNHXSJQUUAOB-HNNXBMFYSA-N 0 0 323.400 3.574 10 0 DHAERN Cc1cnc(CCNc2cncc(OC3CCCCC3)n2)s1 ZINC000302311375 336357148 /nfs/dbraw/zinc/35/71/48/336357148.db2.gz SWPLGZAPAYPFFY-UHFFFAOYSA-N 0 0 318.446 3.608 10 0 DHAERN Cc1cccc([C@@H](O)CNc2ccnc3c(F)cc(F)cc23)c1 ZINC000302512683 336360478 /nfs/dbraw/zinc/36/04/78/336360478.db2.gz OJBHFWGILIIONW-KRWDZBQOSA-N 0 0 314.335 3.967 10 0 DHAERN Cc1cccc([C@H](O)CNc2ccnc3c(F)cc(F)cc23)c1 ZINC000302512684 336360513 /nfs/dbraw/zinc/36/05/13/336360513.db2.gz OJBHFWGILIIONW-QGZVFWFLSA-N 0 0 314.335 3.967 10 0 DHAERN CC1(C)[C@H](Nc2ccnc3c(F)cc(F)cc23)[C@@H]2CCO[C@H]21 ZINC000302557168 336361577 /nfs/dbraw/zinc/36/15/77/336361577.db2.gz YRGLVCZKPUYAND-AMKSKSKJSA-N 0 0 304.340 3.738 10 0 DHAERN Cc1cc2c(n1C)CCC[C@H]2Nc1nc(C(C)(C)C)ns1 ZINC000302553437 336361591 /nfs/dbraw/zinc/36/15/91/336361591.db2.gz WZCZFVAHDCLSDJ-GFCCVEGCSA-N 0 0 304.463 3.972 10 0 DHAERN O=C1CCc2cc(Oc3cc(Cl)nc(C4CC4)n3)ccc21 ZINC000302564125 336361772 /nfs/dbraw/zinc/36/17/72/336361772.db2.gz VQLJTJDLZCGBIK-UHFFFAOYSA-N 0 0 300.745 3.929 10 0 DHAERN Cc1ccc(CN(C)c2nnc(-c3ccccn3)s2)cc1F ZINC000302650377 336363510 /nfs/dbraw/zinc/36/35/10/336363510.db2.gz BMCNZQXIXMTIMH-UHFFFAOYSA-N 0 0 314.389 3.684 10 0 DHAERN Cn1cc([C@H]2CCCN2c2ccnc3cc(Cl)ccc32)cn1 ZINC000108946215 336394656 /nfs/dbraw/zinc/39/46/56/336394656.db2.gz RDUJHPANTCNHOI-MRXNPFEDSA-N 0 0 312.804 3.963 10 0 DHAERN CCCCC[C@H](C)NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114582133 336607357 /nfs/dbraw/zinc/60/73/57/336607357.db2.gz LTGGCBMHDBUMRG-BBRMVZONSA-N 0 0 320.481 3.852 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000120743239 336920463 /nfs/dbraw/zinc/92/04/63/336920463.db2.gz BSOHHXAUUJOQJG-UHFFFAOYSA-N 0 0 318.808 3.783 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000120782138 336920907 /nfs/dbraw/zinc/92/09/07/336920907.db2.gz ZRIISQOFOXCHGG-ZACQAIPSSA-N 0 0 301.434 3.680 10 0 DHAERN COc1ccsc1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121915804 336986519 /nfs/dbraw/zinc/98/65/19/336986519.db2.gz WZAGKKVGTDHLLH-GFCCVEGCSA-N 0 0 317.410 3.789 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)CC3(C)CCCCC3)C2)c1 ZINC000123004194 337033781 /nfs/dbraw/zinc/03/37/81/337033781.db2.gz LSVXBEXRCBCSHC-INIZCTEOSA-N 0 0 303.450 3.716 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1Cl ZINC000123058316 337034919 /nfs/dbraw/zinc/03/49/19/337034919.db2.gz GAOVYNJZXJFFQQ-VYUIOLGVSA-N 0 0 302.201 3.738 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)Nc2ccn(C)n2)cc1 ZINC000123231998 337041121 /nfs/dbraw/zinc/04/11/21/337041121.db2.gz ZSLSAPXYNMMOTB-ZDUSSCGKSA-N 0 0 300.406 3.501 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCc3cccnc32)cc1 ZINC000193851973 337079636 /nfs/dbraw/zinc/07/96/36/337079636.db2.gz NAVCTAZJBYGNHE-RDTXWAMCSA-N 0 0 308.425 3.941 10 0 DHAERN O=C(Nc1cc(F)c(F)cc1F)N[C@@H]1CCOc2ccccc21 ZINC000171557710 337088098 /nfs/dbraw/zinc/08/80/98/337088098.db2.gz MZKSEKSAQURZFZ-CYBMUJFWSA-N 0 0 322.286 3.749 10 0 DHAERN C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171697667 337088622 /nfs/dbraw/zinc/08/86/22/337088622.db2.gz YZOBMYBYSOJDJG-RDTXWAMCSA-N 0 0 322.408 3.839 10 0 DHAERN Cc1cccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000171983671 337090659 /nfs/dbraw/zinc/09/06/59/337090659.db2.gz SAAUBVHKTWEBIT-MJGOQNOKSA-N 0 0 322.408 3.543 10 0 DHAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)oc2c1C(=O)CCC2 ZINC000172241248 337091432 /nfs/dbraw/zinc/09/14/32/337091432.db2.gz JVVDOBAYERHBBI-GFCCVEGCSA-N 0 0 313.353 3.677 10 0 DHAERN CCn1c(C)nnc1CN1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596617 337130143 /nfs/dbraw/zinc/13/01/43/337130143.db2.gz QLHDRXZJRFTOJW-DNVCBOLYSA-N 0 0 312.461 3.888 10 0 DHAERN Cc1nc(C[C@H]2CCCN(C(=O)CCCC3CCCC3)C2)no1 ZINC000173058003 337131787 /nfs/dbraw/zinc/13/17/87/337131787.db2.gz SBHSCVSXARKWPQ-MRXNPFEDSA-N 0 0 319.449 3.520 10 0 DHAERN CCc1ccsc1C(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000173084874 337132016 /nfs/dbraw/zinc/13/20/16/337132016.db2.gz DXAGUYQUVMDAJD-LBPRGKRZSA-N 0 0 319.430 3.794 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CCCC2CCCC2)C1 ZINC000173096778 337132159 /nfs/dbraw/zinc/13/21/59/337132159.db2.gz YRRUTUSLEJEDIX-QGZVFWFLSA-N 0 0 317.477 3.970 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000173121329 337134426 /nfs/dbraw/zinc/13/44/26/337134426.db2.gz ZLSCOGWIXIJUIB-HZPDHXFCSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)o1 ZINC000173301590 337134491 /nfs/dbraw/zinc/13/44/91/337134491.db2.gz SWMQZANXZFYZFN-INIZCTEOSA-N 0 0 319.426 3.645 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1c[nH]cc1-c1ccc(F)cc1 ZINC000173325501 337134629 /nfs/dbraw/zinc/13/46/29/337134629.db2.gz VGHQEKMELVQZMK-QGZVFWFLSA-N 0 0 322.339 3.684 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 ZINC000173428698 337135241 /nfs/dbraw/zinc/13/52/41/337135241.db2.gz GQCYOAHCHIQNTR-NSHDSACASA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)n1 ZINC000173416638 337135246 /nfs/dbraw/zinc/13/52/46/337135246.db2.gz JHTKHWROCFSBQZ-GFCCVEGCSA-N 0 0 321.833 3.520 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccccc3C)C2)n1 ZINC000173431718 337135280 /nfs/dbraw/zinc/13/52/80/337135280.db2.gz GPRKKUVTCCIKSI-AWEZNQCLSA-N 0 0 300.427 3.780 10 0 DHAERN O=C([C@H]1SCCc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000173509659 337136207 /nfs/dbraw/zinc/13/62/07/337136207.db2.gz CFEIYLNYLYMOMC-RDJZCZTQSA-N 0 0 313.422 3.974 10 0 DHAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H]1c1ccco1 ZINC000173634880 337137128 /nfs/dbraw/zinc/13/71/28/337137128.db2.gz MLUFPCMGUZMOFU-SQGPQFPESA-N 0 0 307.393 3.847 10 0 DHAERN Cc1ccc(F)cc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173934760 337137544 /nfs/dbraw/zinc/13/75/44/337137544.db2.gz AJENLMRVMPCZMB-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1ccc(C)c(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173922508 337137660 /nfs/dbraw/zinc/13/76/60/337137660.db2.gz IIWJEZPUBGWNOP-MRXNPFEDSA-N 0 0 319.408 3.980 10 0 DHAERN Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1COc2ccccc21 ZINC000174380274 337141374 /nfs/dbraw/zinc/14/13/74/337141374.db2.gz BEVXHYGOKWTYMH-OAHLLOKOSA-N 0 0 320.348 3.514 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)C3CCCC3)C2)n1 ZINC000174920353 337143638 /nfs/dbraw/zinc/14/36/38/337143638.db2.gz OJLLBVHOWLUKDE-UKRRQHHQSA-N 0 0 321.490 3.919 10 0 DHAERN COC(=O)c1cc(NC(=O)N[C@H](C)c2ccc(C)o2)ccc1C ZINC000175044021 337144160 /nfs/dbraw/zinc/14/41/60/337144160.db2.gz WAFGHFIJFXBIIU-GFCCVEGCSA-N 0 0 316.357 3.566 10 0 DHAERN CCC(CC)CNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000175105324 337144573 /nfs/dbraw/zinc/14/45/73/337144573.db2.gz RECLORPHPKOPLI-CQSZACIVSA-N 0 0 309.479 3.777 10 0 DHAERN C[C@H](c1ncc(C(C)(C)C)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000175148535 337144732 /nfs/dbraw/zinc/14/47/32/337144732.db2.gz PKJVLCJANNURKQ-GFCCVEGCSA-N 0 0 302.422 3.636 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)N(C1CC1)C1CCCC1 ZINC000175171765 337145934 /nfs/dbraw/zinc/14/59/34/337145934.db2.gz YBUUKOUWGCIJPK-MRXNPFEDSA-N 0 0 300.402 3.627 10 0 DHAERN CCOc1c(F)cccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000175212634 337146247 /nfs/dbraw/zinc/14/62/47/337146247.db2.gz OYSPQTCBIKMQDC-AWEZNQCLSA-N 0 0 303.333 3.795 10 0 DHAERN CCCCCC[C@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175523735 337147764 /nfs/dbraw/zinc/14/77/64/337147764.db2.gz SJRRHDDUXWXGRM-RDJZCZTQSA-N 0 0 320.481 3.724 10 0 DHAERN O=C(NCc1ccsc1)N1CCCC[C@H]1c1nccs1 ZINC000176201869 337149795 /nfs/dbraw/zinc/14/97/95/337149795.db2.gz JODODJBPUYXNRE-LBPRGKRZSA-N 0 0 307.444 3.641 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000175998847 337150103 /nfs/dbraw/zinc/15/01/03/337150103.db2.gz IYKVXDRTTPIIIV-CVEARBPZSA-N 0 0 306.454 3.626 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCC(c3cc[nH]n3)CC2)s1 ZINC000176063353 337150275 /nfs/dbraw/zinc/15/02/75/337150275.db2.gz BGEPVCYHJJYYIM-UHFFFAOYSA-N 0 0 317.458 3.509 10 0 DHAERN CSCCCCNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176378699 337151007 /nfs/dbraw/zinc/15/10/07/337151007.db2.gz LXBPLZUXBFURCZ-GFCCVEGCSA-N 0 0 313.492 3.523 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000176406736 337151130 /nfs/dbraw/zinc/15/11/30/337151130.db2.gz VOBRHCWUANQVNS-HNAYVOBHSA-N 0 0 316.445 3.693 10 0 DHAERN CC(C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)=C1CCCC1 ZINC000176621848 337152359 /nfs/dbraw/zinc/15/23/59/337152359.db2.gz LYGSWWWBFQRWNM-MRXNPFEDSA-N 0 0 301.434 3.591 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)C/C=C/c1ccc(C)cc1 ZINC000176690764 337152709 /nfs/dbraw/zinc/15/27/09/337152709.db2.gz PUVOYZSVSDGNHJ-MEDHRJKHSA-N 0 0 323.440 3.594 10 0 DHAERN COc1csc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 ZINC000176923202 337153753 /nfs/dbraw/zinc/15/37/53/337153753.db2.gz FYOQLOHPKKFXDG-NSHDSACASA-N 0 0 322.455 3.541 10 0 DHAERN Cc1n[nH]cc1C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000177956684 337159391 /nfs/dbraw/zinc/15/93/91/337159391.db2.gz WBESZQYPWDABIX-JOYOIKCWSA-N 0 0 324.211 3.558 10 0 DHAERN C[C@H](N[C@@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077056 337160306 /nfs/dbraw/zinc/16/03/06/337160306.db2.gz OXKBGWWRTZJSPU-KBPBESRZSA-N 0 0 321.428 3.574 10 0 DHAERN C[C@@H](N[C@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076321 337160323 /nfs/dbraw/zinc/16/03/23/337160323.db2.gz DUDHZMQTNVHVNS-CJNGLKHVSA-N 0 0 310.445 3.688 10 0 DHAERN Cc1ccc(F)cc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000180031267 337173252 /nfs/dbraw/zinc/17/32/52/337173252.db2.gz IGTAPMKSIJOGIC-OAHLLOKOSA-N 0 0 303.381 3.978 10 0 DHAERN CN1CCc2ccc(NC(=O)N3CCC[C@@H]3c3ccco3)cc21 ZINC000180292239 337175665 /nfs/dbraw/zinc/17/56/65/337175665.db2.gz MTIBDBJSAUDGIR-OAHLLOKOSA-N 0 0 311.385 3.641 10 0 DHAERN COCCN(Cc1cccnc1)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180332170 337175936 /nfs/dbraw/zinc/17/59/36/337175936.db2.gz OGJTUJMWLJBWFE-RDJZCZTQSA-N 0 0 318.461 3.519 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)C1 ZINC000180640525 337176819 /nfs/dbraw/zinc/17/68/19/337176819.db2.gz ZIMZAASNIUPJDS-WDEREUQCSA-N 0 0 317.355 3.846 10 0 DHAERN O=C(Nc1cc(F)c(F)c(F)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180689197 337177265 /nfs/dbraw/zinc/17/72/65/337177265.db2.gz KMMXAFSMATULNX-CYBMUJFWSA-N 0 0 324.306 3.586 10 0 DHAERN COc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3ccco3)c21 ZINC000181972009 337185508 /nfs/dbraw/zinc/18/55/08/337185508.db2.gz XZSHMMURRWNGSZ-OAHLLOKOSA-N 0 0 324.380 3.676 10 0 DHAERN CCc1cc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)ccc1C ZINC000181970218 337185552 /nfs/dbraw/zinc/18/55/52/337185552.db2.gz UOEKSBICRJEZCC-QGZVFWFLSA-N 0 0 312.417 3.660 10 0 DHAERN Cc1ccc([C@@H](C)NCC(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000183076181 337191379 /nfs/dbraw/zinc/19/13/79/337191379.db2.gz DAFIJVUGFNQOMS-MRXNPFEDSA-N 0 0 314.429 3.676 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(n3ccnc3)CC2)CC(C)(C)C1 ZINC000183536006 337192126 /nfs/dbraw/zinc/19/21/26/337192126.db2.gz HVWPIZJYUCIVNY-HUUCEWRRSA-N 0 0 303.450 3.509 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC(n3ccnc3)CC2)CC(C)(C)C1 ZINC000183535511 337192203 /nfs/dbraw/zinc/19/22/03/337192203.db2.gz HVWPIZJYUCIVNY-CABCVRRESA-N 0 0 303.450 3.509 10 0 DHAERN CO[C@@H](C)CCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000183680943 337192965 /nfs/dbraw/zinc/19/29/65/337192965.db2.gz MMKKPTCYUPYUGH-UONOGXRCSA-N 0 0 324.490 3.788 10 0 DHAERN COC(=O)c1coc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 ZINC000183793485 337193507 /nfs/dbraw/zinc/19/35/07/337193507.db2.gz RZBQXQXVSHFHHN-GFCCVEGCSA-N 0 0 323.348 3.710 10 0 DHAERN COC[C@H](C)C(=O)NCc1c(OC(C)C)ccc2ccccc21 ZINC000183966019 337194218 /nfs/dbraw/zinc/19/42/18/337194218.db2.gz CAZVQMJOSFRHSV-AWEZNQCLSA-N 0 0 315.413 3.526 10 0 DHAERN Cc1nccn1CCCCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183988325 337194352 /nfs/dbraw/zinc/19/43/52/337194352.db2.gz LPFMCEWTPVAGFH-ZBFHGGJFSA-N 0 0 305.466 3.550 10 0 DHAERN CC(C)c1nnc(CN2CCc3c2cccc3C(F)(F)F)n1C ZINC000183840489 337194917 /nfs/dbraw/zinc/19/49/17/337194917.db2.gz GHNARVASRXCZDE-UHFFFAOYSA-N 0 0 324.350 3.520 10 0 DHAERN O=C(c1scnc1C1CCCC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000184066376 337195880 /nfs/dbraw/zinc/19/58/80/337195880.db2.gz YZUIPNBGISDQSR-ZIAGYGMSSA-N 0 0 320.458 3.584 10 0 DHAERN O=C(CCc1ccc(O)cc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000184095888 337196187 /nfs/dbraw/zinc/19/61/87/337196187.db2.gz ZHIXNJHNUJORDX-GOSISDBHSA-N 0 0 313.372 3.658 10 0 DHAERN COc1ccc([C@H](C)CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184064228 337197102 /nfs/dbraw/zinc/19/71/02/337197102.db2.gz XJUPZJUQDIIFPI-ACJLOTCBSA-N 0 0 313.397 3.727 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2ccc(C)cc2Br)o1 ZINC000226614379 337199996 /nfs/dbraw/zinc/19/99/96/337199996.db2.gz XOKJUONUMYTELH-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000185009305 337201417 /nfs/dbraw/zinc/20/14/17/337201417.db2.gz MFNKNHMOEDDRQK-OAHLLOKOSA-N 0 0 307.349 3.995 10 0 DHAERN CC1(C)C[C@H](NC(=O)N2CCCC3(CC3)C2)c2ccccc2O1 ZINC000185859806 337252104 /nfs/dbraw/zinc/25/21/04/337252104.db2.gz AIIOYKIPLLVXEI-HNNXBMFYSA-N 0 0 314.429 3.874 10 0 DHAERN CC(C)c1nc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cs1 ZINC000186364382 337256770 /nfs/dbraw/zinc/25/67/70/337256770.db2.gz UYLWEGHTQRINHD-NEPJUHHUSA-N 0 0 319.478 3.606 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2ccnc3ccncc32)cc1 ZINC000186747098 337259154 /nfs/dbraw/zinc/25/91/54/337259154.db2.gz KGYLUBXZQOSPOC-ZDUSSCGKSA-N 0 0 305.381 3.683 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC([C@@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000187512704 337266515 /nfs/dbraw/zinc/26/65/15/337266515.db2.gz UMKMPVAYHWRGMJ-PVAVHDDUSA-N 0 0 307.478 3.866 10 0 DHAERN Cc1coc2ccc(NC(=O)N3CCC(c4cc[nH]n4)CC3)cc12 ZINC000188011654 337270098 /nfs/dbraw/zinc/27/00/98/337270098.db2.gz NAIPWSZOEOGNJJ-UHFFFAOYSA-N 0 0 324.384 3.876 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000188055253 337270271 /nfs/dbraw/zinc/27/02/71/337270271.db2.gz UMMBRTLWAAYCMV-YOEHRIQHSA-N 0 0 305.418 3.756 10 0 DHAERN C[C@@H](CCNC(=O)N1CCC(c2cc[nH]n2)CC1)CC(C)(C)C ZINC000188312316 337271928 /nfs/dbraw/zinc/27/19/28/337271928.db2.gz IZZLJBKAKXLLGU-AWEZNQCLSA-N 0 0 320.481 3.761 10 0 DHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H]2COc3ccccc32)s1 ZINC000188797498 337275068 /nfs/dbraw/zinc/27/50/68/337275068.db2.gz ADEDWQQFMURQEX-OAHLLOKOSA-N 0 0 324.405 3.915 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188958262 337276828 /nfs/dbraw/zinc/27/68/28/337276828.db2.gz VSEZVMOAVBYIRF-LJQANCHMSA-N 0 0 323.440 3.764 10 0 DHAERN COc1ccnc(CN2CCCC[C@@H]2c2ccc(C)o2)c1OC ZINC000190598959 337288451 /nfs/dbraw/zinc/28/84/51/337288451.db2.gz JGNIBYMWBHIELA-OAHLLOKOSA-N 0 0 316.401 3.727 10 0 DHAERN COc1ccc2c(c1NC(=O)N[C@@H](C)c1ccc(C)o1)CCC2 ZINC000191353097 337296274 /nfs/dbraw/zinc/29/62/74/337296274.db2.gz VHMMKKZMNZQHIT-LBPRGKRZSA-N 0 0 314.385 3.968 10 0 DHAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000191399722 337296531 /nfs/dbraw/zinc/29/65/31/337296531.db2.gz GEHNZDZRZFXYNV-JLSDUUJJSA-N 0 0 317.429 3.564 10 0 DHAERN CCOP(=O)(OCC)[C@H](O)c1ccccc1Br ZINC000584602442 337371041 /nfs/dbraw/zinc/37/10/41/337371041.db2.gz VNBHBEOSJRDJJB-NSHDSACASA-N 0 0 323.123 3.706 10 0 DHAERN CCC/C(=C/C[C@@]1(C)C(=O)CC[C@H]1O)c1ccc(OC)cc1 ZINC000584603192 337371202 /nfs/dbraw/zinc/37/12/02/337371202.db2.gz MKRNABORWAOGCY-IQRYCENZSA-N 0 0 302.414 3.999 10 0 DHAERN CC(C)(C)c1ccc(NC(=O)Cc2cccc3nccn32)cc1 ZINC000584605037 337371392 /nfs/dbraw/zinc/37/13/92/337371392.db2.gz BAHQPWGVQOUAQL-UHFFFAOYSA-N 0 0 307.397 3.813 10 0 DHAERN CCn1cc(C(=O)N2CCC[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000584606530 337371749 /nfs/dbraw/zinc/37/17/49/337371749.db2.gz XTEITOULAVWRAG-CQSZACIVSA-N 0 0 317.820 3.576 10 0 DHAERN CCOC(=O)C[C@@H](O)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000584611836 337372226 /nfs/dbraw/zinc/37/22/26/337372226.db2.gz MFYROUQSAJJJMF-KRWDZBQOSA-N 0 0 318.800 3.864 10 0 DHAERN COc1ccc(CSC(C)(C)CC(=O)n2ccnc2)cc1 ZINC000584616413 337372866 /nfs/dbraw/zinc/37/28/66/337372866.db2.gz SSWLJBXQSRYHGM-UHFFFAOYSA-N 0 0 304.415 3.634 10 0 DHAERN CCOC(=O)C(=O)c1ccc2c(c1)C[C@@H](C1CCCCC1)C2 ZINC000584618635 337373235 /nfs/dbraw/zinc/37/32/35/337373235.db2.gz MPQUSOAZPMYSNT-INIZCTEOSA-N 0 0 300.398 3.728 10 0 DHAERN Cc1c2cc(F)cc(-c3ccc(F)c(F)c3F)c2[nH]c1C(N)=O ZINC000584618175 337373257 /nfs/dbraw/zinc/37/32/57/337373257.db2.gz CJZMQZGKBOUGCK-UHFFFAOYSA-N 0 0 322.261 3.799 10 0 DHAERN Nc1ccc(-c2ccc(-c3cnn([C@@H]4CCCCO4)c3)nc2)cc1 ZINC000584592990 337373547 /nfs/dbraw/zinc/37/35/47/337373547.db2.gz WDSCLWKPGYCLPU-IBGZPJMESA-N 0 0 320.396 3.893 10 0 DHAERN ONCc1ccc(OCc2cccc(Br)c2)cc1 ZINC000584595130 337373926 /nfs/dbraw/zinc/37/39/26/337373926.db2.gz BKKDJIQCFHPESZ-UHFFFAOYSA-N 0 0 308.175 3.507 10 0 DHAERN C=Cc1c(Br)c(F)cc(C(=O)OC)c1NC1CC1 ZINC000584598234 337374644 /nfs/dbraw/zinc/37/46/44/337374644.db2.gz JWYNBEMTTBQGQK-UHFFFAOYSA-N 0 0 314.154 3.592 10 0 DHAERN CN1c2cc(-c3coc(-c4cccnc4)n3)ccc2C(C)(C)C1=O ZINC000584625790 337375583 /nfs/dbraw/zinc/37/55/83/337375583.db2.gz VFRMEXYXNGXDSZ-UHFFFAOYSA-N 0 0 319.364 3.658 10 0 DHAERN CC[C@@H](c1ccccn1)[C@@](C)(O)c1ccc(OC)c(OC)c1 ZINC000584629685 337376527 /nfs/dbraw/zinc/37/65/27/337376527.db2.gz OGLZDUOCSLXGSL-KSSFIOAISA-N 0 0 301.386 3.500 10 0 DHAERN COc1ccccc1[C@@H](O)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629660 337376631 /nfs/dbraw/zinc/37/66/31/337376631.db2.gz NPIGANGUIZQIKO-VQTJNVASSA-N 0 0 305.377 3.956 10 0 DHAERN O=C1[C@H](c2ccccc2)CCN1c1ccc(-c2cn[nH]c2)cc1 ZINC000584630244 337376669 /nfs/dbraw/zinc/37/66/69/337376669.db2.gz UKFOPYMPMPHQBQ-SFHVURJKSA-N 0 0 303.365 3.597 10 0 DHAERN CCOC(=O)c1c(OCC)cc(C)nc1OCc1ccccc1 ZINC000584634061 337377646 /nfs/dbraw/zinc/37/76/46/337377646.db2.gz PYMIRCTZUXDZNR-UHFFFAOYSA-N 0 0 315.369 3.544 10 0 DHAERN Cn1ccc2c1c(Br)c(Br)cc2F ZINC000584639459 337379793 /nfs/dbraw/zinc/37/97/93/337379793.db2.gz KIMRRFFPGYPRGQ-UHFFFAOYSA-N 0 0 306.960 3.842 10 0 DHAERN Brc1cnc(Oc2cccc(OCC3CC3)c2)cn1 ZINC000584648929 337380484 /nfs/dbraw/zinc/38/04/84/337380484.db2.gz YJYWFOKZRNSTBR-UHFFFAOYSA-N 0 0 321.174 3.820 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCCC(C)(C)C ZINC000105851107 337386865 /nfs/dbraw/zinc/38/68/65/337386865.db2.gz LOVXQGRYZFDSOI-OAHLLOKOSA-N 0 0 305.466 3.917 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000030997120 337390686 /nfs/dbraw/zinc/39/06/86/337390686.db2.gz DAKPSMXVBGFPLK-LLVKDONJSA-N 0 0 306.406 3.652 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1coc2ccccc12 ZINC000113173971 337390925 /nfs/dbraw/zinc/39/09/25/337390925.db2.gz PCYFJZGDXUKWRY-INIZCTEOSA-N 0 0 323.396 3.760 10 0 DHAERN Cc1[nH]c2ccc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2c1C ZINC000113891755 337391270 /nfs/dbraw/zinc/39/12/70/337391270.db2.gz BMBXTJBKRVVEOE-GOSISDBHSA-N 0 0 322.412 3.875 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccccc1F ZINC000114511267 337391544 /nfs/dbraw/zinc/39/15/44/337391544.db2.gz NNRCEMTYDICOON-OAHLLOKOSA-N 0 0 316.380 3.545 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccccc1F ZINC000114511266 337391631 /nfs/dbraw/zinc/39/16/31/337391631.db2.gz NNRCEMTYDICOON-HNNXBMFYSA-N 0 0 316.380 3.545 10 0 DHAERN O=C(COC1CCCCC1)N1CCCC[C@H]1c1nccs1 ZINC000115367369 337392070 /nfs/dbraw/zinc/39/20/70/337392070.db2.gz TVOQZCSTOVIQQI-AWEZNQCLSA-N 0 0 308.447 3.546 10 0 DHAERN O=C(CCc1cc(F)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000116039232 337392192 /nfs/dbraw/zinc/39/21/92/337392192.db2.gz QIFGHOGUSVWBFM-HNNXBMFYSA-N 0 0 305.324 3.854 10 0 DHAERN O=C(c1cccc(OC(F)F)c1)N1CCC[C@H]1c1ccco1 ZINC000116041181 337392212 /nfs/dbraw/zinc/39/22/12/337392212.db2.gz OHYYXDJRDNNWNW-ZDUSSCGKSA-N 0 0 307.296 3.858 10 0 DHAERN COCc1cccc(NC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116483235 337392711 /nfs/dbraw/zinc/39/27/11/337392711.db2.gz HSGWCXNCSSFPEH-OAHLLOKOSA-N 0 0 300.358 3.795 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000119076269 337394314 /nfs/dbraw/zinc/39/43/14/337394314.db2.gz FLIPSDDKULXAKC-INIZCTEOSA-N 0 0 317.477 3.825 10 0 DHAERN CCCCC[C@H](C(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000119730975 337395008 /nfs/dbraw/zinc/39/50/08/337395008.db2.gz WWCFGKRUHXTRDD-KRWDZBQOSA-N 0 0 319.493 3.979 10 0 DHAERN CCCCC[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000119738081 337395021 /nfs/dbraw/zinc/39/50/21/337395021.db2.gz JDWLTIBEEDWLEQ-MRXNPFEDSA-N 0 0 305.466 3.968 10 0 DHAERN O=C(Nc1ccc(O)cc1F)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000124511219 337405887 /nfs/dbraw/zinc/40/58/87/337405887.db2.gz MCHKBRMTPSYLFO-QWRGUYRKSA-N 0 0 307.271 3.552 10 0 DHAERN C[C@@H](NC(=O)N1CCn2cccc2[C@@H]1C)c1ccc(F)c(F)c1 ZINC000042811574 337408694 /nfs/dbraw/zinc/40/86/94/337408694.db2.gz XQLVKTZYIOHALO-NEPJUHHUSA-N 0 0 319.355 3.614 10 0 DHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000125291828 337410522 /nfs/dbraw/zinc/41/05/22/337410522.db2.gz CNUYHTRRIWWEDB-UHFFFAOYSA-N 0 0 324.211 3.736 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2N2CCCCCC2)O1 ZINC000126804239 337417791 /nfs/dbraw/zinc/41/77/91/337417791.db2.gz DZWUFQFNCXYJMW-WMLDXEAASA-N 0 0 302.418 3.573 10 0 DHAERN Cc1cccn2c(CN3CCCC[C@@H]3c3nccs3)cnc12 ZINC000127693084 337421958 /nfs/dbraw/zinc/42/19/58/337421958.db2.gz VJVAGPCQODZSMF-OAHLLOKOSA-N 0 0 312.442 3.826 10 0 DHAERN Cc1cc(C)n([C@@H](C)C(=O)N2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000127712758 337422114 /nfs/dbraw/zinc/42/21/14/337422114.db2.gz UKIKWYDTCBXSRY-HOTGVXAUSA-N 0 0 315.417 3.716 10 0 DHAERN Cc1cc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)c(C)s1 ZINC000130823630 337434493 /nfs/dbraw/zinc/43/44/93/337434493.db2.gz HQBPYOIDXZQYHT-VXGBXAGGSA-N 0 0 304.463 3.705 10 0 DHAERN Cc1ccc(NC(=O)C(=O)N[C@H](C)c2cccs2)c(Cl)c1 ZINC000048879971 337435982 /nfs/dbraw/zinc/43/59/82/337435982.db2.gz BTCVFCHEPGOVIW-SNVBAGLBSA-N 0 0 322.817 3.526 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N1CCCC[C@H]1c1nccs1 ZINC000133235807 337444902 /nfs/dbraw/zinc/44/49/02/337444902.db2.gz SVGRTDVKDMIJMB-AWEZNQCLSA-N 0 0 319.474 3.960 10 0 DHAERN CCOCCCCNC(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000152509286 337452431 /nfs/dbraw/zinc/45/24/31/337452431.db2.gz ZXDDIXLUJFDSDQ-QGZVFWFLSA-N 0 0 318.461 3.816 10 0 DHAERN O=C(c1csc2ccccc12)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135812522 337452976 /nfs/dbraw/zinc/45/29/76/337452976.db2.gz BYCHBYMZRNWMJT-CQSZACIVSA-N 0 0 324.405 3.590 10 0 DHAERN Cc1cc2cc(NC(=O)N[C@H]3COc4ccccc43)ccc2[nH]1 ZINC000060587454 337459244 /nfs/dbraw/zinc/45/92/44/337459244.db2.gz RVGGQVLEHHYPHP-INIZCTEOSA-N 0 0 307.353 3.732 10 0 DHAERN CSc1nc(C(=O)N[C@@H](C)c2cccs2)c2ccccn12 ZINC000194315226 337462044 /nfs/dbraw/zinc/46/20/44/337462044.db2.gz VKRAVVDQFGRJLM-JTQLQIEISA-N 0 0 317.439 3.609 10 0 DHAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000195247809 337467532 /nfs/dbraw/zinc/46/75/32/337467532.db2.gz HBXISBWBTYOYNX-XHSDSOJGSA-N 0 0 314.360 3.821 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CCCS1)c1cccc(Br)c1 ZINC000070436849 337546437 /nfs/dbraw/zinc/54/64/37/337546437.db2.gz DDUFGTDQCCJFCM-BXKDBHETSA-N 0 0 314.248 3.522 10 0 DHAERN O=C(Cc1ccccc1Cl)N1CCC[C@H]1c1nccs1 ZINC000074909405 337552754 /nfs/dbraw/zinc/55/27/54/337552754.db2.gz FHQSVFZKLBDWLF-ZDUSSCGKSA-N 0 0 306.818 3.703 10 0 DHAERN C[C@@H]1C[C@@H](CC(=O)N2CC[C@@H](c3cnn(C)c3)C2)CC(C)(C)C1 ZINC000247198510 337558347 /nfs/dbraw/zinc/55/83/47/337558347.db2.gz LSHAKCRYJFGSOC-OWCLPIDISA-N 0 0 317.477 3.589 10 0 DHAERN CCn1cc(C2CCN(C(=O)[C@H]3C[C@H](C)C[C@H](C)C3)CC2)cn1 ZINC000248516926 337564241 /nfs/dbraw/zinc/56/42/41/337564241.db2.gz AGURQJVJBXLZEN-QLPKVWCKSA-N 0 0 317.477 3.681 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248528025 337564325 /nfs/dbraw/zinc/56/43/25/337564325.db2.gz DHBNWXABEKVEEH-XUJVJEKNSA-N 0 0 306.450 3.801 10 0 DHAERN C[C@H](NC(=O)[C@H](C)SCC[C@H]1CCCO1)c1ccccc1 ZINC000248679473 337566638 /nfs/dbraw/zinc/56/66/38/337566638.db2.gz CBBZNEJFPGATFU-OFQRWUPVSA-N 0 0 307.459 3.555 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000248975116 337569078 /nfs/dbraw/zinc/56/90/78/337569078.db2.gz QNYVMUHVKQJWHK-HZSPNIEDSA-N 0 0 305.443 3.719 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(C)C)C2)n1 ZINC000249357430 337570185 /nfs/dbraw/zinc/57/01/85/337570185.db2.gz RQKVYPMDHJWWOT-SNPRPXQTSA-N 0 0 306.475 3.704 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@H]2C)[C@@H]1c1cccc(F)c1 ZINC000249713058 337571150 /nfs/dbraw/zinc/57/11/50/337571150.db2.gz ZEIWQTHMTVVWCB-GFOFROLCSA-N 0 0 305.393 3.550 10 0 DHAERN Cc1csc([C@@H]2CN([C@H](C)c3c(F)cccc3F)CCO2)n1 ZINC000249910085 337572270 /nfs/dbraw/zinc/57/22/70/337572270.db2.gz VSGLGWNMWNYKKP-RISCZKNCSA-N 0 0 324.396 3.864 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000078186835 337592201 /nfs/dbraw/zinc/59/22/01/337592201.db2.gz HWYKGLATIAHUCI-CZUORRHYSA-N 0 0 313.372 3.853 10 0 DHAERN CCC[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc(F)cc1F ZINC000253351329 337600543 /nfs/dbraw/zinc/60/05/43/337600543.db2.gz JBFSGCDNXFUMEW-RBOXIYTFSA-N 0 0 311.372 3.737 10 0 DHAERN Cc1cc(Br)c(C(=O)N[C@H]2C[C@@H]2C)cc1Cl ZINC000285957921 337602659 /nfs/dbraw/zinc/60/26/59/337602659.db2.gz AHFBHIDMFHHOGZ-CPCISQLKSA-N 0 0 302.599 3.549 10 0 DHAERN Cc1ccc(N)cc1C(=O)N[C@H](c1ccc(F)cc1F)C(C)C ZINC000262445253 337618201 /nfs/dbraw/zinc/61/82/01/337618201.db2.gz YOHBHMHRMNLHSE-KRWDZBQOSA-N 0 0 318.367 3.983 10 0 DHAERN CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263032833 337623407 /nfs/dbraw/zinc/62/34/07/337623407.db2.gz HMLJLCLYOUOXAK-OIISXLGYSA-N 0 0 307.409 3.798 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000263384092 337627223 /nfs/dbraw/zinc/62/72/23/337627223.db2.gz CKCSIWFOWLXUEF-QZTJIDSGSA-N 0 0 313.372 3.950 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2O)o1 ZINC000105581400 337809022 /nfs/dbraw/zinc/80/90/22/337809022.db2.gz PDSWERJXVLMDIL-VIFPVBQESA-N 0 0 324.174 3.547 10 0 DHAERN COC(=O)[C@H]1CCCCN1Cc1c(Cl)cccc1Cl ZINC000105979922 337810803 /nfs/dbraw/zinc/81/08/03/337810803.db2.gz FZZQNPKDVIMKLD-CYBMUJFWSA-N 0 0 302.201 3.521 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000045683199 337826702 /nfs/dbraw/zinc/82/67/02/337826702.db2.gz PJLXJMXCQLMMOI-PWSUYJOCSA-N 0 0 316.854 3.501 10 0 DHAERN CCOCCN(CC)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000107826234 337832027 /nfs/dbraw/zinc/83/20/27/337832027.db2.gz CTFOPOYJCABWII-OAHLLOKOSA-N 0 0 314.429 3.969 10 0 DHAERN C[C@@H](CC(=O)N[C@H]1COc2ccccc21)c1ccc(F)cc1F ZINC000119552176 337861433 /nfs/dbraw/zinc/86/14/33/337861433.db2.gz SUUNFCFPRMXENX-ZBEGNZNMSA-N 0 0 317.335 3.708 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccco1 ZINC000089246465 337867914 /nfs/dbraw/zinc/86/79/14/337867914.db2.gz MQKWHZMHCLSRHH-IRXDYDNUSA-N 0 0 313.397 3.847 10 0 DHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000120212546 337871542 /nfs/dbraw/zinc/87/15/42/337871542.db2.gz KIBXYGKRLUUXOW-BFHYXJOUSA-N 0 0 310.463 3.965 10 0 DHAERN O=C(Cc1ccc2ccccc2c1)N[C@H]1COc2ccccc21 ZINC000058727085 337878887 /nfs/dbraw/zinc/87/88/87/337878887.db2.gz QZGBXRNUCFRYPL-SFHVURJKSA-N 0 0 303.361 3.632 10 0 DHAERN CCSc1ccccc1[C@@H](C)N[C@@H]1CCCn2nc(C)nc21 ZINC000090223713 337879345 /nfs/dbraw/zinc/87/93/45/337879345.db2.gz ASBXNDKCJRJDCR-IUODEOHRSA-N 0 0 316.474 3.884 10 0 DHAERN CCn1c(C)nnc1CSCc1nc(C(C)(C)C)cs1 ZINC000091036558 337888459 /nfs/dbraw/zinc/88/84/59/337888459.db2.gz OBLYENQXZYRMMZ-UHFFFAOYSA-N 0 0 310.492 3.794 10 0 DHAERN Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1 ZINC000091170890 337890201 /nfs/dbraw/zinc/89/02/01/337890201.db2.gz MQSLXLFQJWDBSE-RBUKOAKNSA-N 0 0 309.409 3.782 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CCc2ccccc2O)cc1F ZINC000121675087 337897139 /nfs/dbraw/zinc/89/71/39/337897139.db2.gz JPDLJUNFTYJBTF-ZDUSSCGKSA-N 0 0 301.361 3.650 10 0 DHAERN C[C@@H](NS(=O)(=O)c1cccc2ccccc21)c1cccs1 ZINC000122314512 337915902 /nfs/dbraw/zinc/91/59/02/337915902.db2.gz KLYNUEPMPSUADD-GFCCVEGCSA-N 0 0 317.435 3.941 10 0 DHAERN C[C@@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(Cl)s1 ZINC000083643926 337995999 /nfs/dbraw/zinc/99/59/99/337995999.db2.gz OKGXMHZRSZDJOB-SECBINFHSA-N 0 0 318.895 4.000 10 0 DHAERN C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)[C@@H]1CCCO1 ZINC000084743073 338004822 /nfs/dbraw/zinc/00/48/22/338004822.db2.gz OHBXUJOGQDXRQL-WFASDCNBSA-N 0 0 309.837 3.592 10 0 DHAERN CCC[C@@](C)(CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000086340261 338015222 /nfs/dbraw/zinc/01/52/22/338015222.db2.gz JQRJEDMWMPUUTI-LIRRHRJNSA-N 0 0 314.429 3.751 10 0 DHAERN CCc1ccc([C@H](C)NCc2ccsc2C(=O)OC)cc1 ZINC000154166879 338238000 /nfs/dbraw/zinc/23/80/00/338238000.db2.gz HBLLLSUGXKPUNC-LBPRGKRZSA-N 0 0 303.427 3.948 10 0 DHAERN CSC1(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)CCC1 ZINC000195024485 338843702 /nfs/dbraw/zinc/84/37/02/338843702.db2.gz KLAVIXFTJNRUJH-LBPRGKRZSA-N 0 0 310.438 3.780 10 0 DHAERN COC(=O)c1nc(N[C@H]2CCCc3ccccc32)sc1C ZINC000164630474 339012982 /nfs/dbraw/zinc/01/29/82/339012982.db2.gz AKIJJEZWMXSDHW-ZDUSSCGKSA-N 0 0 302.399 3.728 10 0 DHAERN Cc1ncsc1/C=C\C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000492709596 339907197 /nfs/dbraw/zinc/90/71/97/339907197.db2.gz BJFWVBGRZPDCFV-FOQNGQEVSA-N 0 0 319.455 3.675 10 0 DHAERN Fc1ccc(Br)c(F)c1CN1C[C@@H]2CCC[C@H]21 ZINC000500984309 340071208 /nfs/dbraw/zinc/07/12/08/340071208.db2.gz NOKUAVVDSTWWSM-QPUJVOFHSA-N 0 0 302.162 3.712 10 0 DHAERN C[C@H]1CCN(C[C@@H](O)COCc2ccccc2)c2ccccc21 ZINC000303422240 340325087 /nfs/dbraw/zinc/32/50/87/340325087.db2.gz CSJWDORRZXBFMF-FUHWJXTLSA-N 0 0 311.425 3.578 10 0 DHAERN C[C@@H](CCc1ccccc1F)C(=O)N[C@H]1COc2ccccc21 ZINC000172914158 340348156 /nfs/dbraw/zinc/34/81/56/340348156.db2.gz HNYPLZHCOCHMDO-GUYCJALGSA-N 0 0 313.372 3.644 10 0 DHAERN CC[C@@H](C(=O)N[C@H](C)COCc1ccccc1)c1ccccc1 ZINC000172967134 340350436 /nfs/dbraw/zinc/35/04/36/340350436.db2.gz ZVZDYDFJJRZZMJ-VQIMIIECSA-N 0 0 311.425 3.902 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N(C)c1ccc(F)cc1 ZINC000173339489 340362872 /nfs/dbraw/zinc/36/28/72/340362872.db2.gz VORHHBAOQAUVMV-CQSZACIVSA-N 0 0 316.376 3.577 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000173354747 340363199 /nfs/dbraw/zinc/36/31/99/340363199.db2.gz HPGYLFPTJSGFPK-GOSISDBHSA-N 0 0 322.408 3.540 10 0 DHAERN CC(C)C[C@H]1CCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000173374551 340363668 /nfs/dbraw/zinc/36/36/68/340363668.db2.gz XFTHBDUHZZQKOC-ZBFHGGJFSA-N 0 0 302.418 3.588 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000174138465 340382726 /nfs/dbraw/zinc/38/27/26/340382726.db2.gz ZRFZYOZKNHTNGT-NXHRZFHOSA-N 0 0 316.445 3.566 10 0 DHAERN CC(C)CCOCCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000174242548 340384631 /nfs/dbraw/zinc/38/46/31/340384631.db2.gz VDBRBGQEVFNMKC-UHFFFAOYSA-N 0 0 309.454 3.615 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000174533159 340391129 /nfs/dbraw/zinc/39/11/29/340391129.db2.gz QROKFGPCHJPNLG-ZYHUDNBSSA-N 0 0 314.401 3.563 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000174533133 340391166 /nfs/dbraw/zinc/39/11/66/340391166.db2.gz QROKFGPCHJPNLG-CMPLNLGQSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1C)c1ccccc1Br ZINC000174555334 340391456 /nfs/dbraw/zinc/39/14/56/340391456.db2.gz KZTAWQDAKMQKJJ-MNOVXSKESA-N 0 0 311.223 3.704 10 0 DHAERN C[C@@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1ccccc1F ZINC000174820125 340396727 /nfs/dbraw/zinc/39/67/27/340396727.db2.gz FVHGLGGAXHGFAQ-RYUDHWBXSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@@H](NC(=O)NC[C@H](C)Oc1cccc(F)c1)c1cccs1 ZINC000174822235 340396812 /nfs/dbraw/zinc/39/68/12/340396812.db2.gz IRZKQAJPAOCFFX-NWDGAFQWSA-N 0 0 322.405 3.715 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@](C)(O)[C@@H](C)c1ccccc1 ZINC000174896735 340398789 /nfs/dbraw/zinc/39/87/89/340398789.db2.gz JOKASQOWWJZFRD-TWOQFEAHSA-N 0 0 311.425 3.727 10 0 DHAERN C[C@H]1Cc2ccccc2CN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000175324490 340409157 /nfs/dbraw/zinc/40/91/57/340409157.db2.gz MKZUPBHTGRSBOC-KBXCAEBGSA-N 0 0 322.408 3.667 10 0 DHAERN Cc1[nH]ccc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000175362245 340410645 /nfs/dbraw/zinc/41/06/45/340410645.db2.gz CDIGHIUMUHIAQW-SECBINFHSA-N 0 0 307.191 3.577 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC000177888356 340444979 /nfs/dbraw/zinc/44/49/79/340444979.db2.gz DWUFOTDIODHIRA-KDOFPFPSSA-N 0 0 311.381 3.772 10 0 DHAERN C[C@H](CNc1ccccc1)NC(=O)N[C@H](C)c1cccs1 ZINC000178194508 340447644 /nfs/dbraw/zinc/44/76/44/340447644.db2.gz JDKFCJNNSHSLMF-CHWSQXEVSA-N 0 0 303.431 3.609 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)NCCc1ccccn1 ZINC000178936673 340452608 /nfs/dbraw/zinc/45/26/08/340452608.db2.gz UVWWZKNBCUZGKF-GOSISDBHSA-N 0 0 323.440 3.637 10 0 DHAERN CCSCc1cc(C(=O)N[C@@H]2CCCc3ccccc32)no1 ZINC000184641645 340494707 /nfs/dbraw/zinc/49/47/07/340494707.db2.gz JDSZGQNLFWBTLL-OAHLLOKOSA-N 0 0 316.426 3.735 10 0 DHAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1cccs1 ZINC000187234734 340518636 /nfs/dbraw/zinc/51/86/36/340518636.db2.gz COYKVHNBQZKHTD-IHRRRGAJSA-N 0 0 310.463 3.702 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000188795250 340522023 /nfs/dbraw/zinc/52/20/23/340522023.db2.gz YCVRFVVWJODYHT-RCBQFDQVSA-N 0 0 307.409 3.844 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCCc2cc(Cl)cc(F)c21 ZINC000191900292 340560015 /nfs/dbraw/zinc/56/00/15/340560015.db2.gz UTIGVFBHFUJWSP-GXFFZTMASA-N 0 0 311.784 3.573 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)Nc2cccc3c2N=S=N3)o1 ZINC000193644493 340580813 /nfs/dbraw/zinc/58/08/13/340580813.db2.gz CQWTUSDCTYEOEQ-JTQLQIEISA-N 0 0 316.386 3.604 10 0 DHAERN C[C@H](NC(=O)c1nc2cccnc2s1)c1ccc(Cl)s1 ZINC000193876820 340585271 /nfs/dbraw/zinc/58/52/71/340585271.db2.gz XPYARNLUOWRIRG-ZETCQYMHSA-N 0 0 323.830 3.897 10 0 DHAERN O=C(Cc1cccc2ccccc21)N[C@@H]1COc2ccccc21 ZINC000194872819 340596734 /nfs/dbraw/zinc/59/67/34/340596734.db2.gz CUSFVBOBSRVRLS-GOSISDBHSA-N 0 0 303.361 3.632 10 0 DHAERN COc1ccc(Br)c(NC(=O)[C@@H]2CCC[C@@H]2C)c1 ZINC000230057500 340617878 /nfs/dbraw/zinc/61/78/78/340617878.db2.gz CHCJHVLANIPPSS-GXSJLCMTSA-N 0 0 312.207 3.832 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1sccc1Br ZINC000230057462 340617900 /nfs/dbraw/zinc/61/79/00/340617900.db2.gz AMAYUIDHLGDUAT-BDAKNGLRSA-N 0 0 302.237 3.563 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@H]3CCCCC3(C)C)C2)c1 ZINC000126778474 340833454 /nfs/dbraw/zinc/83/34/54/340833454.db2.gz ICLHUKJYFSWOJB-IAGOWNOFSA-N 0 0 317.477 3.962 10 0 DHAERN CCn1ccnc1CNc1ccc(Cl)cc1Br ZINC000127779263 340856192 /nfs/dbraw/zinc/85/61/92/340856192.db2.gz AXBVFHZAETZWFR-UHFFFAOYSA-N 0 0 314.614 3.931 10 0 DHAERN CC(C)[C@H](C)NC(=O)CCCc1ccc(Br)s1 ZINC000073001611 341112086 /nfs/dbraw/zinc/11/20/86/341112086.db2.gz AVSFEQGTABQZTA-JTQLQIEISA-N 0 0 318.280 3.994 10 0 DHAERN C[C@H]1CN(C(=O)CCCc2csc3ccccc23)C[C@H](C)O1 ZINC000132664437 341137893 /nfs/dbraw/zinc/13/78/93/341137893.db2.gz KVPMFXDKCWIDLW-KBPBESRZSA-N 0 0 317.454 3.860 10 0 DHAERN CCOCCC1(CNC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000132824630 341146522 /nfs/dbraw/zinc/14/65/22/341146522.db2.gz YEBOCWAQJRIPSH-OAHLLOKOSA-N 0 0 318.461 3.816 10 0 DHAERN C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(C(C)(C)C)cc1 ZINC000074496703 341146931 /nfs/dbraw/zinc/14/69/31/341146931.db2.gz HHPMBKUXBBSOSD-CYBMUJFWSA-N 0 0 324.424 3.574 10 0 DHAERN CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000074547111 341148103 /nfs/dbraw/zinc/14/81/03/341148103.db2.gz LJTSWOFGWGBAKY-SJORKVTESA-N 0 0 322.493 3.500 10 0 DHAERN C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCS[C@@H](C)C1 ZINC000074990310 341159208 /nfs/dbraw/zinc/15/92/08/341159208.db2.gz NSQDMMHKZFTIPQ-QWRGUYRKSA-N 0 0 323.849 3.888 10 0 DHAERN CCOc1cc(Cl)ccc1NC(=O)N1CCS[C@H](C)C1 ZINC000133661610 341181210 /nfs/dbraw/zinc/18/12/10/341181210.db2.gz XSCOJRAAPOXJJG-SNVBAGLBSA-N 0 0 314.838 3.708 10 0 DHAERN C[C@@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1Cl ZINC000133867868 341195297 /nfs/dbraw/zinc/19/52/97/341195297.db2.gz BVRJELKELAVZMO-SNVBAGLBSA-N 0 0 307.752 3.605 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000076997067 341216681 /nfs/dbraw/zinc/21/66/81/341216681.db2.gz KGFNJPULCLQAMG-PBHICJAKSA-N 0 0 304.434 3.691 10 0 DHAERN CSCCCNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000077669367 341228535 /nfs/dbraw/zinc/22/85/35/341228535.db2.gz XIAUPVHYRMHZDJ-ZDUSSCGKSA-N 0 0 302.443 3.953 10 0 DHAERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135324046 341236748 /nfs/dbraw/zinc/23/67/48/341236748.db2.gz ASXHWGROCGRZNF-ZYHUDNBSSA-N 0 0 303.299 3.985 10 0 DHAERN C[C@H](NC(=O)N1CCO[C@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000136354262 341257264 /nfs/dbraw/zinc/25/72/64/341257264.db2.gz VXFAYSKAHMBEPX-SOUVJXGZSA-N 0 0 312.413 3.720 10 0 DHAERN COCc1cc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000079485545 341259580 /nfs/dbraw/zinc/25/95/80/341259580.db2.gz RFCJDSPKMKMGLR-GFCCVEGCSA-N 0 0 316.401 3.610 10 0 DHAERN CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)OC)c(C)c1 ZINC000245395639 341290848 /nfs/dbraw/zinc/29/08/48/341290848.db2.gz IHMCGFGCUMOMJQ-IACUBPJLSA-N 0 0 321.442 3.633 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cccc2ccccc21 ZINC000081450091 341291271 /nfs/dbraw/zinc/29/12/71/341291271.db2.gz QKVHIEQOKJGGIP-CYBMUJFWSA-N 0 0 313.397 3.642 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1csc2ccccc12 ZINC000081449687 341291273 /nfs/dbraw/zinc/29/12/73/341291273.db2.gz PXXZAOYQOUFYAB-LLVKDONJSA-N 0 0 319.426 3.704 10 0 DHAERN CCCCOc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1CO ZINC000081609665 341299242 /nfs/dbraw/zinc/29/92/42/341299242.db2.gz XXRRCIBKYUXZOQ-CABCVRRESA-N 0 0 320.433 3.538 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000245565647 341302317 /nfs/dbraw/zinc/30/23/17/341302317.db2.gz DTQONLUOBFHTJN-WKBVASEUSA-N 0 0 315.457 3.986 10 0 DHAERN CCN(CC(C)(C)O)C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000081969503 341312024 /nfs/dbraw/zinc/31/20/24/341312024.db2.gz BYJGJCHMOZOMNH-SJORKVTESA-N 0 0 303.446 3.533 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000245955282 341319613 /nfs/dbraw/zinc/31/96/13/341319613.db2.gz WLLLWZMZCPZHJS-KGYLQXTDSA-N 0 0 310.463 3.662 10 0 DHAERN C[C@@H]1C[C@@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1 ZINC000246083068 341324309 /nfs/dbraw/zinc/32/43/09/341324309.db2.gz UEISVRINSMLCGY-AISHXMHISA-N 0 0 307.821 3.721 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000246086701 341324352 /nfs/dbraw/zinc/32/43/52/341324352.db2.gz UPKAOHUNSLUHRJ-BGTYHANMSA-N 0 0 301.430 3.739 10 0 DHAERN C[C@@H]1C[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1 ZINC000246083091 341324359 /nfs/dbraw/zinc/32/43/59/341324359.db2.gz UEISVRINSMLCGY-JERLVFOGSA-N 0 0 307.821 3.721 10 0 DHAERN C[C@@H](CNC(=O)[C@H]1CC[C@@H](C)O1)c1c(Cl)cccc1Cl ZINC000246084941 341324483 /nfs/dbraw/zinc/32/44/83/341324483.db2.gz UJBKOCANUBYPAN-OPQQBVKSSA-N 0 0 316.228 3.781 10 0 DHAERN C[C@@H]1CC[C@H](CCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)O1 ZINC000246728843 341356449 /nfs/dbraw/zinc/35/64/49/341356449.db2.gz MPSWWMIVTLENQD-FDYHWXHSSA-N 0 0 307.356 3.571 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000246840288 341357688 /nfs/dbraw/zinc/35/76/88/341357688.db2.gz CKUASWVMZDLMNG-SQNIBIBYSA-N 0 0 301.430 3.551 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000247469446 341365462 /nfs/dbraw/zinc/36/54/62/341365462.db2.gz RZAZFPMWGUMWTE-CGTJXYLNSA-N 0 0 318.461 3.525 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248160606 341374220 /nfs/dbraw/zinc/37/42/20/341374220.db2.gz SAXGSOICGIIEGT-BQFCYCMXSA-N 0 0 310.482 3.682 10 0 DHAERN C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCCO1 ZINC000248231027 341374904 /nfs/dbraw/zinc/37/49/04/341374904.db2.gz BPAOZOQSLGXJJH-SMDDNHRTSA-N 0 0 319.788 3.897 10 0 DHAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000248466222 341378441 /nfs/dbraw/zinc/37/84/41/341378441.db2.gz DFVKOZCHOFTAKQ-UMVBOHGHSA-N 0 0 320.433 3.595 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1cccc2ccccc21 ZINC000248750558 341385772 /nfs/dbraw/zinc/38/57/72/341385772.db2.gz GODFPPJLJWYYAY-SUNYJGFJSA-N 0 0 312.413 3.768 10 0 DHAERN C[C@@H]1CSCCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000248784842 341386800 /nfs/dbraw/zinc/38/68/00/341386800.db2.gz MLUKPNADVFPQIU-TUAOUCFPSA-N 0 0 324.412 3.502 10 0 DHAERN CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC[C@H]1C ZINC000249168485 341394873 /nfs/dbraw/zinc/39/48/73/341394873.db2.gz KTAAPZRPDAESAZ-ZWQIFLOQSA-N 0 0 315.457 3.797 10 0 DHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000249283250 341395931 /nfs/dbraw/zinc/39/59/31/341395931.db2.gz HKTYHSJSPHZNAW-ULQDDVLXSA-N 0 0 301.430 3.657 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C2CC2)cc1 ZINC000089975943 341411601 /nfs/dbraw/zinc/41/16/01/341411601.db2.gz IIQDSJXMRRNXBE-GBESFXJTSA-N 0 0 313.441 3.551 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000253271776 341452370 /nfs/dbraw/zinc/45/23/70/341452370.db2.gz ARPVONXVKIBVGH-FNHZYXHNSA-N 0 0 313.441 3.870 10 0 DHAERN COc1ccccc1-c1cccc(NC(=O)[C@H]2CC[C@@H](C)O2)c1 ZINC000153903238 341581157 /nfs/dbraw/zinc/58/11/57/341581157.db2.gz WDCNCMJVEJYPFY-FZKQIMNGSA-N 0 0 311.381 3.868 10 0 DHAERN CC(C)c1ccc([C@H](NCc2nnnn2C(C)C)C(C)C)cc1 ZINC000154350931 341588407 /nfs/dbraw/zinc/58/84/07/341588407.db2.gz VUCHVHLVZYGZBS-GOSISDBHSA-N 0 0 315.465 3.864 10 0 DHAERN COCCCCCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000154811650 341596386 /nfs/dbraw/zinc/59/63/86/341596386.db2.gz NRCMFWNNKVSJQU-RHSMWYFYSA-N 0 0 304.434 3.741 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCc2cscn2)c2ccccc21 ZINC000154872221 341597278 /nfs/dbraw/zinc/59/72/78/341597278.db2.gz LJVNNMGQAVYIEX-IAQYHMDHSA-N 0 0 301.415 3.581 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)N(C)C2CCC2)cc1 ZINC000155411333 341607345 /nfs/dbraw/zinc/60/73/45/341607345.db2.gz UPZNBMIRBIMFJP-AWEZNQCLSA-N 0 0 304.434 3.976 10 0 DHAERN C[C@H]1CC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)O1 ZINC000155903283 341614627 /nfs/dbraw/zinc/61/46/27/341614627.db2.gz CWWRKMFWMYCNSC-UONOGXRCSA-N 0 0 307.459 3.634 10 0 DHAERN Cc1[nH]c(=O)ccc1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000156012256 341616069 /nfs/dbraw/zinc/61/60/69/341616069.db2.gz PNMUGVOLHPSJSC-NSHDSACASA-N 0 0 304.777 3.582 10 0 DHAERN CC(C)[C@@H](O)CC(=O)NC[C@H](C)c1c(Cl)cccc1Cl ZINC000158661373 341661504 /nfs/dbraw/zinc/66/15/04/341661504.db2.gz HKKKRQLRZRHPCE-GWCFXTLKSA-N 0 0 318.244 3.620 10 0 DHAERN C[C@@H](NC(=O)NC[C@@]1(C)CCCS1)c1ccc(F)c(F)c1 ZINC000158680429 341661844 /nfs/dbraw/zinc/66/18/44/341661844.db2.gz PEUOIKYQFGZPIR-MEBBXXQBSA-N 0 0 314.401 3.611 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@@H](OCC(C)C)C2)cc1F ZINC000158784213 341664457 /nfs/dbraw/zinc/66/44/57/341664457.db2.gz GFCDABOJKKSQCK-GOEBONIOSA-N 0 0 322.424 3.652 10 0 DHAERN C[C@H](NC(=O)c1ccc2nccn2c1)c1ccc(F)c(Cl)c1 ZINC000171159314 341772721 /nfs/dbraw/zinc/77/27/21/341772721.db2.gz VRBVWZZAGDQCKG-JTQLQIEISA-N 0 0 317.751 3.618 10 0 DHAERN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171735647 341783844 /nfs/dbraw/zinc/78/38/44/341783844.db2.gz JNDDDQLWDFAHNS-UONOGXRCSA-N 0 0 322.474 3.682 10 0 DHAERN O=C(CCn1ccc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113893489 518198433 /nfs/dbraw/zinc/19/84/33/518198433.db2.gz CJAQYAILKKOIQO-SFHVURJKSA-N 0 0 322.412 3.508 10 0 DHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000182305906 518438873 /nfs/dbraw/zinc/43/88/73/518438873.db2.gz DXPKWNDQVOIWIT-NRMGUKERSA-N 0 0 323.440 3.594 10 0 DHAERN C/C(=C\c1ccccc1)CN1CCO[C@@H](c2nccs2)C1 ZINC000179881473 518445002 /nfs/dbraw/zinc/44/50/02/518445002.db2.gz IHODHOZTJHWUCV-WSYSLRRZSA-N 0 0 300.427 3.620 10 0 DHAERN C/C(=C\c1ccccc1)CN1CCO[C@H](c2nccs2)C1 ZINC000179881454 518445647 /nfs/dbraw/zinc/44/56/47/518445647.db2.gz IHODHOZTJHWUCV-UKYUDJEDSA-N 0 0 300.427 3.620 10 0 DHAERN CC(C)(C)c1csc([C@@H]2CN(C[C@@H]3CCC=CO3)CCO2)n1 ZINC000193848076 519088265 /nfs/dbraw/zinc/08/82/65/519088265.db2.gz IDDFQBBPCWFXJM-KBPBESRZSA-N 0 0 322.474 3.507 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H]2CCCOCC2)cc1 ZINC000180000254 519443348 /nfs/dbraw/zinc/44/33/48/519443348.db2.gz MTDZHPDVAHQJRM-QAPCUYQASA-N 0 0 303.446 3.674 10 0 DHAERN CC(=O)Nc1ccc(OCc2nc3cc(Cl)ccc3[nH]2)cc1 ZINC000073636088 519729409 /nfs/dbraw/zinc/72/94/09/519729409.db2.gz MAZYFOIPEPXJCH-UHFFFAOYSA-N 0 0 315.760 3.754 10 0 DHAERN CC(C)OCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129716396 519756550 /nfs/dbraw/zinc/75/65/50/519756550.db2.gz PUXGTCLUQLEYTJ-INIZCTEOSA-N 0 0 317.429 3.754 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)c(Cl)c1 ZINC000190735341 519780893 /nfs/dbraw/zinc/78/08/93/519780893.db2.gz GVQRIYYELLWPLI-WCQYABFASA-N 0 0 311.809 3.881 10 0 DHAERN CC(C)[C@H](SC1CCOCC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000131396334 519823916 /nfs/dbraw/zinc/82/39/16/519823916.db2.gz LPGAZNYBSUNVJG-YOEHRIQHSA-N 0 0 321.486 3.801 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCCCCCO)cc1 ZINC000182296127 519839587 /nfs/dbraw/zinc/83/95/87/519839587.db2.gz SPHJXAUSTAISDB-ROUUACIJSA-N 0 0 303.446 3.582 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)[C@@H]2CCC(=O)C[C@@H]2C)cc1 ZINC000179182942 519839948 /nfs/dbraw/zinc/83/99/48/519839948.db2.gz KQAYVQDYRDZAHV-SUNYJGFJSA-N 0 0 301.430 3.993 10 0 DHAERN CCC1CCC(NC(=O)N(C)C[C@H](C)c2nccs2)CC1 ZINC000182263349 519854850 /nfs/dbraw/zinc/85/48/50/519854850.db2.gz VYNXGSQOCUPBGN-HSBZDZAISA-N 0 0 309.479 3.857 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCCC2=CCCC2)no1 ZINC000152223833 519867958 /nfs/dbraw/zinc/86/79/58/519867958.db2.gz NRQNYNUSEVMHRI-CQSZACIVSA-N 0 0 318.421 3.540 10 0 DHAERN CC(C)c1nnc(CSCCCc2cccc(F)c2)n1C ZINC000180722698 519888821 /nfs/dbraw/zinc/88/88/21/519888821.db2.gz FLQYULWPVKVXCU-UHFFFAOYSA-N 0 0 307.438 3.944 10 0 DHAERN CC1(C)CCC(CC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000153342664 520295619 /nfs/dbraw/zinc/29/56/19/520295619.db2.gz GBPUBXJYQJSBLF-UHFFFAOYSA-N 0 0 317.477 3.728 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CC1CCOCC1 ZINC000123462285 520416795 /nfs/dbraw/zinc/41/67/95/520416795.db2.gz VMRNWAZJXNCTHW-GOSISDBHSA-N 0 0 301.430 3.633 10 0 DHAERN CCO[C@@H]1C[C@H](Nc2ccc(C)c(OC)c2C)C12CCOCC2 ZINC000186445315 520438026 /nfs/dbraw/zinc/43/80/26/520438026.db2.gz KUIAADQWUCLAPM-DLBZAZTESA-N 0 0 319.445 3.698 10 0 DHAERN CCCCS[C@@H](C)C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000105849815 520960171 /nfs/dbraw/zinc/96/01/71/520960171.db2.gz BYKYCKWLYXUQGB-GJZGRUSLSA-N 0 0 323.506 3.622 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154964541 521175553 /nfs/dbraw/zinc/17/55/53/521175553.db2.gz GQGLFHYTNMHCBE-AWEZNQCLSA-N 0 0 306.454 3.515 10 0 DHAERN CCCCc1nc(CN2CCC[C@@H](n3cc(C)cn3)C2)cs1 ZINC000106219905 521293321 /nfs/dbraw/zinc/29/33/21/521293321.db2.gz KLHAYHUVUWVQAE-MRXNPFEDSA-N 0 0 318.490 3.828 10 0 DHAERN CCN(Cc1ccccn1)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181941493 521391944 /nfs/dbraw/zinc/39/19/44/521391944.db2.gz UTBVDXZOLAUNLE-DNVCBOLYSA-N 0 0 323.440 3.855 10 0 DHAERN CCCc1nc(CN[C@H](C)c2ccccc2Br)no1 ZINC000181568562 521517738 /nfs/dbraw/zinc/51/77/38/521517738.db2.gz LMOQAXKOOIWBRI-SNVBAGLBSA-N 0 0 324.222 3.635 10 0 DHAERN CCCn1cc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)cn1 ZINC000181074735 521643771 /nfs/dbraw/zinc/64/37/71/521643771.db2.gz DAJDJGSWZADGFR-OAHLLOKOSA-N 0 0 301.390 3.562 10 0 DHAERN CCOCCCCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000152510429 521701352 /nfs/dbraw/zinc/70/13/52/521701352.db2.gz NQNOFPPMIIMPAU-WMLDXEAASA-N 0 0 304.434 3.741 10 0 DHAERN CCNC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182515918 521746935 /nfs/dbraw/zinc/74/69/35/521746935.db2.gz XSKPSBDGLLMVKV-WCQYABFASA-N 0 0 302.201 3.597 10 0 DHAERN CCc1ccccc1CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000188915931 521828869 /nfs/dbraw/zinc/82/88/69/521828869.db2.gz NFMLWKULIUYKKN-INIZCTEOSA-N 0 0 302.443 3.587 10 0 DHAERN COc1c(CNc2ccc(SC(F)F)cc2)c(C)nn1C ZINC000157459431 521833961 /nfs/dbraw/zinc/83/39/61/521833961.db2.gz ISOPXAPKTOVYEG-UHFFFAOYSA-N 0 0 313.373 3.664 10 0 DHAERN COCCn1cc(N[C@@H]2C[C@H](C)Sc3sccc32)cn1 ZINC000120853615 522110815 /nfs/dbraw/zinc/11/08/15/522110815.db2.gz YBNDDPWOHAFEHM-GXFFZTMASA-N 0 0 309.460 3.629 10 0 DHAERN COC[C@@H](C)C(=O)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000187925305 522168311 /nfs/dbraw/zinc/16/83/11/522168311.db2.gz HVSQOQVGQNODLX-OAHLLOKOSA-N 0 0 313.397 3.511 10 0 DHAERN COC[C@@H](C)C(=O)N(C)[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000163206783 522169821 /nfs/dbraw/zinc/16/98/21/522169821.db2.gz FMDUXGZOKOFUOB-SKDRFNHKSA-N 0 0 323.742 3.684 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000171460903 522173572 /nfs/dbraw/zinc/17/35/72/522173572.db2.gz QPQQCFRSXUIIAY-IAQYHMDHSA-N 0 0 323.845 3.890 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000103412476 522179596 /nfs/dbraw/zinc/17/95/96/522179596.db2.gz NHTXFNNJVZUWKM-MRVPVSSYSA-N 0 0 310.444 3.709 10 0 DHAERN CCc1nc(C2(NCc3ccc(C)c(OC)c3)CCCC2)no1 ZINC000194277461 522244480 /nfs/dbraw/zinc/24/44/80/522244480.db2.gz FEYWGCVDXVXVQA-UHFFFAOYSA-N 0 0 315.417 3.508 10 0 DHAERN CCc1nc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181400850 522349650 /nfs/dbraw/zinc/34/96/50/522349650.db2.gz CNCBUQPSCAUYPY-ZDUSSCGKSA-N 0 0 303.406 3.518 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccc(CC)cc1 ZINC000167798911 522519766 /nfs/dbraw/zinc/51/97/66/522519766.db2.gz SUADFEQUYUHQIF-IAGOWNOFSA-N 0 0 312.461 3.979 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2ccc(C)cc21 ZINC000166821177 522520032 /nfs/dbraw/zinc/52/00/32/522520032.db2.gz XQWLHXJWOCVBJC-DLBZAZTESA-N 0 0 310.445 3.651 10 0 DHAERN COC[C@H](C)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000189321130 522552804 /nfs/dbraw/zinc/55/28/04/522552804.db2.gz MCQXAPFJXPSRLA-NSHDSACASA-N 0 0 311.809 3.882 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccccc2F)C2CCCC2)n1C ZINC000181493585 522745885 /nfs/dbraw/zinc/74/58/85/522745885.db2.gz QCKQDKYVVCDHPC-GOSISDBHSA-N 0 0 316.424 3.538 10 0 DHAERN CCc1nnc(CN[C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000181390420 522748501 /nfs/dbraw/zinc/74/85/01/522748501.db2.gz WAACHZSVNPFNSN-CYBMUJFWSA-N 0 0 303.406 3.518 10 0 DHAERN CC[C@@H](OC(=O)CCc1ccnn1C)c1cccc(Cl)c1 ZINC000126657100 523012845 /nfs/dbraw/zinc/01/28/45/523012845.db2.gz ZKMFDWBEAOIHAY-OAHLLOKOSA-N 0 0 306.793 3.701 10 0 DHAERN CC[C@@H](OC(=O)[C@@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1 ZINC000176621551 523014332 /nfs/dbraw/zinc/01/43/32/523014332.db2.gz IQPPTULAASJRJP-GDBMZVCRSA-N 0 0 323.820 3.593 10 0 DHAERN CC[C@@H](c1nnc(NC(=O)N[C@H]2C[C@@H]2C)s1)c1ccccc1 ZINC000106952628 523129524 /nfs/dbraw/zinc/12/95/24/523129524.db2.gz CVOYAFGYUAXVBP-UHTWSYAYSA-N 0 0 316.430 3.610 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181278370 523154866 /nfs/dbraw/zinc/15/48/66/523154866.db2.gz TWSXSKNDEIXLDO-AWEZNQCLSA-N 0 0 321.428 3.519 10 0 DHAERN COC(=O)[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)c1cccnc1 ZINC000178790061 523639771 /nfs/dbraw/zinc/63/97/71/523639771.db2.gz OYBTVQZURVJXFF-KDOFPFPSSA-N 0 0 312.413 3.770 10 0 DHAERN CO[C@H](C)CCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000181748502 523861840 /nfs/dbraw/zinc/86/18/40/523861840.db2.gz MNRCUTUJDGEFJZ-GDBMZVCRSA-N 0 0 317.429 3.754 10 0 DHAERN CCc1ccc([C@@H](C)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181617389 524026087 /nfs/dbraw/zinc/02/60/87/524026087.db2.gz SLBXJPGUIRFWPA-CYBMUJFWSA-N 0 0 310.445 3.904 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000188053025 524035395 /nfs/dbraw/zinc/03/53/95/524035395.db2.gz JVXFQCOHWSFOIB-BMFZPTHFSA-N 0 0 305.418 3.711 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)Nc2nnc(C)s2)o1 ZINC000173648797 524035459 /nfs/dbraw/zinc/03/54/59/524035459.db2.gz ASALLFRKJDMMQT-LBPRGKRZSA-N 0 0 320.418 3.761 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N[C@H](COC)c2ccco2)cc1 ZINC000175178609 524044598 /nfs/dbraw/zinc/04/45/98/524044598.db2.gz FBYFBMQNSZBEDS-XJKSGUPXSA-N 0 0 316.401 3.590 10 0 DHAERN C[C@H](CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000132410414 524117643 /nfs/dbraw/zinc/11/76/43/524117643.db2.gz ZJAOBGJCWHHHBV-POAQFYNOSA-N 0 0 315.457 3.724 10 0 DHAERN C[C@H](CN(C)C(=O)N[C@H](C)c1cccs1)c1nccs1 ZINC000182138107 524282081 /nfs/dbraw/zinc/28/20/81/524282081.db2.gz ZNPDENBEXHXVMQ-GHMZBOCLSA-N 0 0 309.460 3.711 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N2CCCSc3ccc(Cl)cc32)O1 ZINC000156722853 524330481 /nfs/dbraw/zinc/33/04/81/524330481.db2.gz VVZHVOFZJZLHLU-GWCFXTLKSA-N 0 0 311.834 3.736 10 0 DHAERN C[C@@H]1CC[C@@H](CCC(=O)N2CCCC[C@@H]2c2nccs2)O1 ZINC000174608929 524583862 /nfs/dbraw/zinc/58/38/62/524583862.db2.gz FQHMCCXCFKNPDM-HZSPNIEDSA-N 0 0 308.447 3.544 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 ZINC000156054362 524610994 /nfs/dbraw/zinc/61/09/94/524610994.db2.gz PAVPEGSCFWBDDO-SJKOYZFVSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)c2cccc(NC(N)=O)c2)c2ccccc21 ZINC000162702559 524611585 /nfs/dbraw/zinc/61/15/85/524611585.db2.gz MVPFPIVQPSPRAE-SJKOYZFVSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)NCc1ccccc1COCc1ccccc1 ZINC000170807104 524959696 /nfs/dbraw/zinc/95/96/96/524959696.db2.gz YOIFRWGWEARBFU-HNAYVOBHSA-N 0 0 324.424 3.611 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1SC(F)F ZINC000191389817 525017576 /nfs/dbraw/zinc/01/75/76/525017576.db2.gz TXJDFIZNSUGRHO-NXEZZACHSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H](NC(=O)Nc1ccccc1C[S@@](C)=O)c1cccs1 ZINC000184247290 525119379 /nfs/dbraw/zinc/11/93/79/525119379.db2.gz NASLMTPNKYJZLZ-WIUDPPPLSA-N 0 0 322.455 3.509 10 0 DHAERN COc1ccc([C@H](C)C(=O)NC[C@@H](C)Cc2cccs2)cc1 ZINC000156362518 525289068 /nfs/dbraw/zinc/28/90/68/525289068.db2.gz YXEZGDLJDJKEAI-KBPBESRZSA-N 0 0 317.454 3.855 10 0 DHAERN C[C@H](N[C@@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225071 525563729 /nfs/dbraw/zinc/56/37/29/525563729.db2.gz MUYXZSPDBCSNOC-XJKSGUPXSA-N 0 0 314.433 3.641 10 0 DHAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225204 525639640 /nfs/dbraw/zinc/63/96/40/525639640.db2.gz MUYXZSPDBCSNOC-CZUORRHYSA-N 0 0 314.433 3.641 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(O)ccc2C(F)(F)F)o1 ZINC000188942668 525716377 /nfs/dbraw/zinc/71/63/77/525716377.db2.gz LVMHYTJCYWTOFI-SECBINFHSA-N 0 0 313.275 3.803 10 0 DHAERN Cc1c(C[S@@](C)=O)cccc1Nc1nc(C(C)(C)C)ns1 ZINC000159532415 525737372 /nfs/dbraw/zinc/73/73/72/525737372.db2.gz BMYLBWWVLZFOCG-NRFANRHFSA-N 0 0 323.487 3.766 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCO[C@@H]2C)cc1 ZINC000188050685 525802875 /nfs/dbraw/zinc/80/28/75/525802875.db2.gz JHRWQDVTPKINCK-NJAFHUGGSA-N 0 0 301.430 3.864 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc(Cc3ccccc3C)no2)o1 ZINC000182579072 525929641 /nfs/dbraw/zinc/92/96/41/525929641.db2.gz REODVBMMWGUUEQ-AWEZNQCLSA-N 0 0 311.385 3.721 10 0 DHAERN C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000152376134 525997381 /nfs/dbraw/zinc/99/73/81/525997381.db2.gz OCTOSNQZWCHUOZ-STQMWFEESA-N 0 0 302.399 3.519 10 0 DHAERN CSc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000157303986 526031361 /nfs/dbraw/zinc/03/13/61/526031361.db2.gz WKSSDNIBBOLRRV-DYVFJYSZSA-N 0 0 320.458 3.567 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190558469 526170464 /nfs/dbraw/zinc/17/04/64/526170464.db2.gz RYDRKPASBHMEMR-CMPLNLGQSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H](C)CCC(C)(C)C)C2)c1 ZINC000153844190 526266048 /nfs/dbraw/zinc/26/60/48/526266048.db2.gz VXIHBNQFFPUCOT-HZPDHXFCSA-N 0 0 320.481 3.753 10 0 DHAERN Fc1ccc(C(F)(F)F)cc1CNc1nnc(C(F)F)o1 ZINC000189279141 526326702 /nfs/dbraw/zinc/32/67/02/526326702.db2.gz GWLJUCVOBMFDJM-UHFFFAOYSA-N 0 0 311.185 3.777 10 0 DHAERN Cc1csc([C@@H](C)CNC(=O)N[C@H](C)c2ccc(C)o2)n1 ZINC000183001171 526404395 /nfs/dbraw/zinc/40/43/95/526404395.db2.gz LXOMREJACHKGMO-JOYOIKCWSA-N 0 0 307.419 3.517 10 0 DHAERN O=C(O[C@@H]1CCc2cccnc21)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000189269150 526434463 /nfs/dbraw/zinc/43/44/63/526434463.db2.gz MQTWXUKHKKPMFW-XJKCOSOUSA-N 0 0 315.319 3.694 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2C[C@@H]2c2cccnc2)n1 ZINC000299751345 526741405 /nfs/dbraw/zinc/74/14/05/526741405.db2.gz QLWPPQFJYIZJKO-XGUBFFRZSA-N 0 0 313.401 3.654 10 0 DHAERN Clc1ccccc1CCCN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182330719 526987131 /nfs/dbraw/zinc/98/71/31/526987131.db2.gz UYOYYIZVIAJISO-OAHLLOKOSA-N 0 0 304.825 3.618 10 0 DHAERN O=C(CSc1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000115366469 527040246 /nfs/dbraw/zinc/04/02/46/527040246.db2.gz INCIFIPOCJETFD-AWEZNQCLSA-N 0 0 318.467 3.989 10 0 DHAERN NC(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000133613624 527052386 /nfs/dbraw/zinc/05/23/86/527052386.db2.gz SFPLTELCPKNVDY-STQMWFEESA-N 0 0 320.820 3.594 10 0 DHAERN Cn1c(COc2ccccc2Cc2ccccc2)nnc1C1CC1 ZINC000181866725 527065376 /nfs/dbraw/zinc/06/53/76/527065376.db2.gz ZMKFFOZJCXMAQZ-UHFFFAOYSA-N 0 0 319.408 3.862 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc2ccccc21 ZINC000177606942 527187805 /nfs/dbraw/zinc/18/78/05/527187805.db2.gz PNIWWKPBHBVGAV-ACJLOTCBSA-N 0 0 306.413 3.925 10 0 DHAERN OCCCNc1nc2ccccc2n1Cc1ccccc1Cl ZINC000026474066 527541899 /nfs/dbraw/zinc/54/18/99/527541899.db2.gz PGDRAMKISCBPDX-UHFFFAOYSA-N 0 0 315.804 3.532 10 0 DHAERN O=C(NCC1(C2CC2)CC1)N1CCCC[C@@H]1c1nccs1 ZINC000152332950 527559242 /nfs/dbraw/zinc/55/92/42/527559242.db2.gz YUBFSLONSGHPNI-CYBMUJFWSA-N 0 0 305.447 3.570 10 0 DHAERN O[C@@H](C[C@@H]1CCCN1c1cccc(Cl)n1)c1ccccc1 ZINC000193459179 527663367 /nfs/dbraw/zinc/66/33/67/527663367.db2.gz MNCAYJHNIXUGRG-GJZGRUSLSA-N 0 0 302.805 3.828 10 0 DHAERN CC[C@@H]1CC[C@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)O1 ZINC000299752447 529343646 /nfs/dbraw/zinc/34/36/46/529343646.db2.gz UDSMGRADAWQYAR-QKPAOTATSA-N 0 0 314.385 3.945 10 0 DHAERN CC[C@@H](C)N(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071536 563471091 /nfs/dbraw/zinc/47/10/91/563471091.db2.gz CHYYZFRUQCXIFA-CQSZACIVSA-N 0 0 300.450 3.903 10 0 DHAERN Brc1sccc1[C@H]1NCCc2ccsc21 ZINC000712526121 563321107 /nfs/dbraw/zinc/32/11/07/563321107.db2.gz BLGNRDBIUULEIY-SECBINFHSA-N 0 0 300.246 3.807 10 0 DHAERN COc1cccc(/C=C2\S[C@H]3Nc4ccccc4N3C2=O)c1 ZINC000009927870 563354448 /nfs/dbraw/zinc/35/44/48/563354448.db2.gz PFRJCPMJWJOHDM-MJSCBBHESA-N 0 0 310.378 3.525 10 0 DHAERN CCNc1c(N)cnc2c(Br)c(Cl)ccc21 ZINC000584882869 563421604 /nfs/dbraw/zinc/42/16/04/563421604.db2.gz XUQPLXIWYDGHCQ-UHFFFAOYSA-N 0 0 300.587 3.665 10 0 DHAERN Brc1cccc(/C=C/I)c1 ZINC000071791107 563501482 /nfs/dbraw/zinc/50/14/82/563501482.db2.gz JIVGFMUGTDJRNC-SNAWJCMRSA-N 0 0 308.944 3.855 10 0 DHAERN Cc1ccc2c(Cl)c(C)c(=O)n(C)c2c1Br ZINC000725259548 563565571 /nfs/dbraw/zinc/56/55/71/563565571.db2.gz GDTVTUHTTQLVMB-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN CC(C)(C)Cc1nc2cccc(Br)c2cc1NN ZINC000725268040 563573959 /nfs/dbraw/zinc/57/39/59/563573959.db2.gz GMYXERRBSYCXFW-UHFFFAOYSA-N 0 0 308.223 3.872 10 0 DHAERN COc1ccc(Cl)cc1CNCc1nc2ccccc2[nH]1 ZINC000049774198 563587597 /nfs/dbraw/zinc/58/75/97/563587597.db2.gz MBHQHJMMEIYWAF-UHFFFAOYSA-N 0 0 301.777 3.515 10 0 DHAERN Cc1ccoc1C(=O)N(C)C[C@@H]1CCCc2sc(C)nc21 ZINC000328631040 563781439 /nfs/dbraw/zinc/78/14/39/563781439.db2.gz QMHIVPZXIYPWBP-LBPRGKRZSA-N 0 0 304.415 3.545 10 0 DHAERN Cc1ccsc1CNCc1sncc1Br ZINC000669379546 563869571 /nfs/dbraw/zinc/86/95/71/563869571.db2.gz FSDJMOCITODKOC-UHFFFAOYSA-N 0 0 303.250 3.565 10 0 DHAERN Cc1cc(F)ccc1-c1ccc(C(N)=O)cc1Br ZINC000675055921 563909996 /nfs/dbraw/zinc/90/99/96/563909996.db2.gz DGJZWTVJVCLYAI-UHFFFAOYSA-N 0 0 308.150 3.663 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254169 563913436 /nfs/dbraw/zinc/91/34/36/563913436.db2.gz RRKZSPIABXXFME-GFCCVEGCSA-N 0 0 315.442 3.961 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000226284990 563913752 /nfs/dbraw/zinc/91/37/52/563913752.db2.gz IFDYYWMBZZVBBU-UHFFFAOYSA-N 0 0 318.314 3.731 10 0 DHAERN O=C(Nc1ccccc1C(F)(F)F)n1nnc2ccccc21 ZINC000048546927 563924056 /nfs/dbraw/zinc/92/40/56/563924056.db2.gz JWPACFPSYSHPNW-UHFFFAOYSA-N 0 0 306.247 3.530 10 0 DHAERN C[C@@H]([NH2+]CC1CC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)[O-] ZINC000096296894 563936227 /nfs/dbraw/zinc/93/62/27/563936227.db2.gz KGBVFDBXQYDOME-SECBINFHSA-N 0 0 320.776 3.754 10 0 biogenic DHAERN CCOC(=O)c1sc(C(C)(C)C)c(Br)c1N ZINC000685948653 563961238 /nfs/dbraw/zinc/96/12/38/563961238.db2.gz SHTMXPSBZRXVEP-UHFFFAOYSA-N 0 0 306.225 3.567 10 0 DHAERN Brc1nc(-c2ccccc2)oc1Br ZINC000136854053 568417962 /nfs/dbraw/zinc/41/79/62/568417962.db2.gz OSPFUGIIHNUXQY-UHFFFAOYSA-N 0 0 302.953 3.867 10 0 DHAERN CCCC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000300080258 962979372 /nfs/dbraw/zinc/97/93/72/962979372.db2.gz FMTLPZWSJSBCQO-MFKMUULPSA-N 0 0 314.223 3.743 10 0 DHAERN Cc1cccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1F ZINC000692441661 976478382 /nfs/dbraw/zinc/47/83/82/976478382.db2.gz TXXPUUWGVGBAQJ-UHFFFAOYSA-N 0 0 301.361 3.611 10 0 DHAERN Cc1sc(C(=O)[O-])cc1C[N@@H+](C)C1CCC(F)(F)CC1 ZINC000699485787 976915791 /nfs/dbraw/zinc/91/57/91/976915791.db2.gz XKEQZGVLHAVEAN-UHFFFAOYSA-N 0 0 303.374 3.764 10 0 DHAERN Cc1ccccc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202459 1032388926 /nfs/dbraw/zinc/38/89/26/1032388926.db2.gz KOODSYWSYSTPPJ-MRXNPFEDSA-N 0 0 313.788 3.911 10 0 DHAERN Clc1ccc([C@@H](NCc2cccs2)c2ncon2)cc1 ZINC000090202475 1032389187 /nfs/dbraw/zinc/38/91/87/1032389187.db2.gz AUFPXAQXBSGKAR-CYBMUJFWSA-N 0 0 305.790 3.664 10 0 DHAERN CC(C)n1ncc2c1nc(C1CC1)cc2C(=O)N1CCC12CCC2 ZINC000080806801 1019121768 /nfs/dbraw/zinc/12/17/68/1019121768.db2.gz LAURMADFYIWMAT-UHFFFAOYSA-N 0 0 324.428 3.658 10 0 DHAERN Cc1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](C)[C@H]1CO ZINC000089853559 1019380812 /nfs/dbraw/zinc/38/08/12/1019380812.db2.gz AYBISAXAIVXDNQ-CZUORRHYSA-N 0 0 304.434 3.743 10 0 DHAERN O=C(c1cc(-c2ccco2)on1)N1CC=C(c2ccccc2)CC1 ZINC000054458265 1025858422 /nfs/dbraw/zinc/85/84/22/1025858422.db2.gz VFZDYGXFNIXKEC-UHFFFAOYSA-N 0 0 320.348 3.864 10 0 DHAERN O=C(c1ccccc1F)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062078758 1025937814 /nfs/dbraw/zinc/93/78/14/1025937814.db2.gz IMBORSVOVCNEPJ-OAHLLOKOSA-N 0 0 313.372 3.757 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1C ZINC000062576075 1025941168 /nfs/dbraw/zinc/94/11/68/1025941168.db2.gz JRXWPJYHTGSRGB-UHFFFAOYSA-N 0 0 320.392 3.931 10 0 DHAERN O=Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cc1 ZINC000066614367 1030513307 /nfs/dbraw/zinc/51/33/07/1030513307.db2.gz OZBZZLXPIKRAJH-SFHVURJKSA-N 0 0 308.381 3.652 10 0 DHAERN C[C@@H]1COC[C@H](C)N1Cc1ncc(-c2ccccc2Cl)o1 ZINC000075766239 1030687028 /nfs/dbraw/zinc/68/70/28/1030687028.db2.gz HCZUXXFPLDCAGE-TXEJJXNPSA-N 0 0 306.793 3.604 10 0 DHAERN Cc1cccc(NCC(=O)N2CCC[C@@H]2c2cccs2)c1 ZINC000078953912 1031065580 /nfs/dbraw/zinc/06/55/80/1031065580.db2.gz PMHQZWHKAOQZOY-OAHLLOKOSA-N 0 0 300.427 3.832 10 0 DHAERN O=C(c1cc(F)ccc1O)N1CC=C(c2cccs2)CC1 ZINC000080028870 1031271929 /nfs/dbraw/zinc/27/19/29/1031271929.db2.gz VTYNKYDJEWGNFH-UHFFFAOYSA-N 0 0 303.358 3.522 10 0 DHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@H](c2ccccc2)CC1 ZINC000080637048 1031422563 /nfs/dbraw/zinc/42/25/63/1031422563.db2.gz GBNQQMBYTHBWTG-ROUUACIJSA-N 0 0 323.440 3.557 10 0 DHAERN C[C@@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000055551888 1037439602 /nfs/dbraw/zinc/43/96/02/1037439602.db2.gz UCDSLCZKSRZMNZ-CYBMUJFWSA-N 0 0 316.376 3.814 10 0 DHAERN CSc1ccc(OC2CC2)cc1I ZINC000095733011 185383572 /nfs/dbraw/zinc/38/35/72/185383572.db2.gz KIVPDGFFQOVPBR-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN O=C1OC(c2cccc3ccccc32)=NC1=CNc1nccs1 ZINC000096872972 185390058 /nfs/dbraw/zinc/39/00/58/185390058.db2.gz BNHGWYJGEATHOK-UVTDQMKNSA-N 0 0 321.361 3.553 10 0 DHAERN Cc1cc(Cl)nc2ccc(I)cc12 ZINC000082788518 185203546 /nfs/dbraw/zinc/20/35/46/185203546.db2.gz XHDGJZVXNCRFJH-UHFFFAOYSA-N 0 0 303.530 3.801 10 0 DHAERN COc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1F ZINC000090141794 185283475 /nfs/dbraw/zinc/28/34/75/185283475.db2.gz MERYWBSLPLFWCC-NXEZZACHSA-N 0 0 319.298 3.685 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090224409 185287235 /nfs/dbraw/zinc/28/72/35/185287235.db2.gz HUVPHELPBUEFLJ-SUMWQHHRSA-N 0 0 314.433 3.559 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](CC(C)C)c1cccs1 ZINC000090224532 185287339 /nfs/dbraw/zinc/28/73/39/185287339.db2.gz RILFKMSMRPQEKZ-KGLIPLIRSA-N 0 0 304.463 3.860 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000090223325 185287406 /nfs/dbraw/zinc/28/74/06/185287406.db2.gz UCDQYTZAQZHUAL-KDOFPFPSSA-N 0 0 312.461 3.971 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226501 185287631 /nfs/dbraw/zinc/28/76/31/185287631.db2.gz HLLYLKKLCOKKPE-QMTHXVAHSA-N 0 0 324.350 3.791 10 0 DHAERN COc1ccc2c(c1)cc(-c1nc(C(C)C)cs1)[nH]c2=O ZINC000090548335 185302414 /nfs/dbraw/zinc/30/24/14/185302414.db2.gz BZGFYANHIXDBTJ-UHFFFAOYSA-N 0 0 300.383 3.784 10 0 DHAERN CN(C)C(=O)Cc1cn(-c2c[nH]c3ccccc32)c2ccccc12 ZINC000090624837 185307248 /nfs/dbraw/zinc/30/72/48/185307248.db2.gz WSKDEOBGOLZVJY-UHFFFAOYSA-N 0 0 317.392 3.743 10 0 DHAERN Cc1cc(=O)c2c(n1Cc1ccccc1)-c1ccccc1CC2 ZINC000008064291 190630269 /nfs/dbraw/zinc/63/02/69/190630269.db2.gz LQPOAIUAHONTLL-UHFFFAOYSA-N 0 0 301.389 3.971 10 0 DHAERN CCC(=O)N(C[C@@H]1CCCO1)c1nc2c(cc(C)cc2C)s1 ZINC000011142481 190634513 /nfs/dbraw/zinc/63/45/13/190634513.db2.gz LHGRTZCYJRKDQX-ZDUSSCGKSA-N 0 0 318.442 3.835 10 0 DHAERN CC(=O)N/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(C)C ZINC000014784312 190640250 /nfs/dbraw/zinc/64/02/50/190640250.db2.gz CLVBMGHPHZJEQT-UYRXBGFRSA-N 0 0 322.408 3.926 10 0 DHAERN COc1cccc(-c2nc(Cl)c3c(n2)CCCC3)c1OC ZINC000048771111 190676680 /nfs/dbraw/zinc/67/66/80/190676680.db2.gz CQEHGMADXVWBSH-UHFFFAOYSA-N 0 0 304.777 3.693 10 0 DHAERN Cc1c(Cl)cccc1-c1nn2c(nnc2C(F)(F)F)s1 ZINC000226293738 201773727 /nfs/dbraw/zinc/77/37/27/201773727.db2.gz YTCHBWSQUALAAD-UHFFFAOYSA-N 0 0 318.711 3.833 10 0 DHAERN COCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000109085393 185550200 /nfs/dbraw/zinc/55/02/00/185550200.db2.gz MKORUDIOCBVMKO-LSDHHAIUSA-N 0 0 317.335 3.853 10 0 DHAERN Cc1ccc(C)c(NC(=O)c2cc(Br)ccc2N)c1 ZINC000123675056 185832537 /nfs/dbraw/zinc/83/25/37/185832537.db2.gz YYYMRGDBAYESSJ-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CC(C)c1cc(N2CCC(=O)CC2)nc(-c2ccc(F)cc2)n1 ZINC000070452105 190895471 /nfs/dbraw/zinc/89/54/71/190895471.db2.gz OLTYSFODWWZCNK-UHFFFAOYSA-N 0 0 313.376 3.575 10 0 DHAERN Cc1nnc(-c2cccc(-c3cc(N)nc4[nH]ccc43)c2)s1 ZINC000072152733 191058333 /nfs/dbraw/zinc/05/83/33/191058333.db2.gz PBTVWGGACZSLFB-UHFFFAOYSA-N 0 0 307.382 3.639 10 0 DHAERN CCOC(=O)c1cc2cc(F)ncc2n1Cc1cccc(F)c1 ZINC000141660745 186030362 /nfs/dbraw/zinc/03/03/62/186030362.db2.gz STPKKWAPGFULCL-UHFFFAOYSA-N 0 0 316.307 3.540 10 0 DHAERN COc1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000072443575 191168540 /nfs/dbraw/zinc/16/85/40/191168540.db2.gz INMZWKQYVFDCMS-UHFFFAOYSA-N 0 0 321.336 3.625 10 0 DHAERN CC1(C)Cc2nc(Nc3cccc(Cl)c3)nc(N)c2C(=O)C1 ZINC000072467674 191174790 /nfs/dbraw/zinc/17/47/90/191174790.db2.gz OYYSDUXUMHYTSZ-UHFFFAOYSA-N 0 0 316.792 3.611 10 0 DHAERN Cc1cc2nc(NC3=NC(C)(C)CC(C)=N3)nc(C)c2cc1C ZINC000000297759 180750888 /nfs/dbraw/zinc/75/08/88/180750888.db2.gz CYLKFIQRDOVRIO-UHFFFAOYSA-N 0 0 309.417 3.966 10 0 DHAERN COP(=O)(OC)Oc1nc(Cl)c(Cl)cc1Cl ZINC000002037152 180907532 /nfs/dbraw/zinc/90/75/32/180907532.db2.gz XCBOKUAJQWDYNI-UHFFFAOYSA-N 0 0 306.469 3.822 10 0 in-man DHAERN CC(C)[C@H](C)NC(=O)c1c(F)cc(Br)cc1F ZINC000085219206 192482470 /nfs/dbraw/zinc/48/24/70/192482470.db2.gz LZWMSCBCHODASW-ZETCQYMHSA-N 0 0 306.150 3.502 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(C)c(C)c2)c1 ZINC000003482713 181025020 /nfs/dbraw/zinc/02/50/20/181025020.db2.gz TUFOKUNHSOVDQE-UXBLZVDNSA-N 0 0 311.381 3.973 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(F)cc2F)c1 ZINC000003561551 181035445 /nfs/dbraw/zinc/03/54/45/181035445.db2.gz AUESWPAGPOHPKN-FPYGCLRLSA-N 0 0 319.307 3.634 10 0 DHAERN O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccncc1 ZINC000004589026 181128232 /nfs/dbraw/zinc/12/82/32/181128232.db2.gz YWCCOEGIPZRVKV-QPEQYQDCSA-N 0 0 319.147 3.733 10 0 DHAERN Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000004953034 181179092 /nfs/dbraw/zinc/17/90/92/181179092.db2.gz OEKBIIKUZMEOMM-OAHLLOKOSA-N 0 0 324.771 3.751 10 0 DHAERN C=CC(=O)Oc1c(Br)cc(Cl)c2cccnc21 ZINC000005157584 181211556 /nfs/dbraw/zinc/21/15/56/181211556.db2.gz YDNLKBDXQCHOTH-UHFFFAOYSA-N 0 0 312.550 3.742 10 0 in-vitro DHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000078762391 191927744 /nfs/dbraw/zinc/92/77/44/191927744.db2.gz FSLLXYWIOXDOHV-MCMMXHMISA-N 0 0 324.490 3.900 10 0 DHAERN Nc1nc2cc(Oc3ccc4sc(N)nc4c3)ccc2s1 ZINC000005331450 181230384 /nfs/dbraw/zinc/23/03/84/181230384.db2.gz NLUBVIJYZNLXDN-UHFFFAOYSA-N 0 0 314.395 3.863 10 0 DHAERN O=C(/C=C/c1cccc(Cl)c1)NCCc1ccc(F)cc1 ZINC000005465947 181246976 /nfs/dbraw/zinc/24/69/76/181246976.db2.gz XWGXRXORMAPVMB-RMKNXTFCSA-N 0 0 303.764 3.851 10 0 DHAERN CSCC[C@@H](NC(=O)CC1CCC1)c1nc2ccccc2[nH]1 ZINC000080105649 192002227 /nfs/dbraw/zinc/00/22/27/192002227.db2.gz HPYGILYTXLJQPZ-OAHLLOKOSA-N 0 0 317.458 3.664 10 0 DHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccccc1F ZINC000005603590 181263034 /nfs/dbraw/zinc/26/30/34/181263034.db2.gz UVPSMNHSKLIHEZ-AWEZNQCLSA-N 0 0 311.278 3.729 10 0 DHAERN CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1OC ZINC000005654083 181267947 /nfs/dbraw/zinc/26/79/47/181267947.db2.gz RJCWEQLUZMPAIH-RHRXWLLISA-N 0 0 317.429 3.802 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N(C)CCc2cccs2)cc1 ZINC000081297339 192246398 /nfs/dbraw/zinc/24/63/98/192246398.db2.gz PQUIFHFXBPAXEG-CYBMUJFWSA-N 0 0 303.427 3.561 10 0 DHAERN CCN(CC)c1ccc(C(=O)n2c(C)nc3ccccc32)cc1 ZINC000005794973 181285323 /nfs/dbraw/zinc/28/53/23/181285323.db2.gz MDHHAZPYJHZJAE-UHFFFAOYSA-N 0 0 307.397 3.879 10 0 DHAERN CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccc(C)cc1C ZINC000005783306 181283517 /nfs/dbraw/zinc/28/35/17/181283517.db2.gz NOMQJUYTAWBRPS-UHFFFAOYSA-N 0 0 321.380 3.728 10 0 DHAERN CC[C@@H](C)Oc1cc(=O)[nH]c(Sc2cc(C)cc(C)c2)n1 ZINC000005884679 181292938 /nfs/dbraw/zinc/29/29/38/181292938.db2.gz VMHOBPPRSAODTK-GFCCVEGCSA-N 0 0 304.415 3.715 10 0 DHAERN CC(=O)Nc1ccccc1C(=O)Nc1cc(Cl)ccc1C ZINC000005942674 181299461 /nfs/dbraw/zinc/29/94/61/181299461.db2.gz GUFPTOWAEVAMQH-UHFFFAOYSA-N 0 0 302.761 3.859 10 0 DHAERN CC(C)(C)OC(=O)n1ccc2cc(C3(C)OCCO3)ccc21 ZINC000089208924 192742726 /nfs/dbraw/zinc/74/27/26/192742726.db2.gz GFMDUPVVKSEGDN-UHFFFAOYSA-N 0 0 303.358 3.644 10 0 DHAERN O=C(NC1CCC2(CCCCC2)CC1)c1ncncc1Cl ZINC000188333213 200229323 /nfs/dbraw/zinc/22/93/23/200229323.db2.gz CXLVNTQZVDTIEM-UHFFFAOYSA-N 0 0 307.825 3.753 10 0 DHAERN CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 ZINC000006043504 181307925 /nfs/dbraw/zinc/30/79/25/181307925.db2.gz SONXQKWIXGXNPY-ZHACJKMWSA-N 0 0 313.353 3.807 10 0 DHAERN Oc1c(Br)ccc2c1C[C@@H](c1ccccc1)OC2 ZINC000006116294 181313409 /nfs/dbraw/zinc/31/34/09/181313409.db2.gz LDHSLLYHMNIOOP-AWEZNQCLSA-N 0 0 305.171 3.969 10 0 DHAERN O=c1oc(-c2ccccc2F)nc2ccc(Br)cc12 ZINC000006258827 181323390 /nfs/dbraw/zinc/32/33/90/181323390.db2.gz XAXIVDTZVLGJIE-UHFFFAOYSA-N 0 0 320.117 3.757 10 0 DHAERN C/C(=C\c1ccccc1)C(=O)Nc1nnc(C(C)(C)C)s1 ZINC000006302006 181327893 /nfs/dbraw/zinc/32/78/93/181327893.db2.gz WVJYOYXLNFDEKL-ZHACJKMWSA-N 0 0 301.415 3.878 10 0 DHAERN CCN(CC)C(=S)NC(=O)/C=C/c1cccc2ccccc12 ZINC000006416128 181339136 /nfs/dbraw/zinc/33/91/36/181339136.db2.gz SEHUHRMOXYYWSQ-OUKQBFOZSA-N 0 0 312.438 3.596 10 0 DHAERN Cc1ccc2onc(CC(=O)NCc3ccc(Cl)cc3)c2c1 ZINC000006839433 181397152 /nfs/dbraw/zinc/39/71/52/181397152.db2.gz ILKKWHQDLAFCHH-UHFFFAOYSA-N 0 0 314.772 3.649 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CNc3ccccc32)C1 ZINC000091303108 193035107 /nfs/dbraw/zinc/03/51/07/193035107.db2.gz UVKWHITVTJOVCV-UKRRQHHQSA-N 0 0 302.418 3.843 10 0 DHAERN Cc1cccc(-c2sc(N)nc2-c2ccc3nccnc3c2)n1 ZINC000091301753 193035375 /nfs/dbraw/zinc/03/53/75/193035375.db2.gz OSVSUYVNUCYIQK-UHFFFAOYSA-N 0 0 319.393 3.706 10 0 DHAERN COc1ccccc1[C@]1(Cl)C(=O)Nc2ccc(Cl)cc21 ZINC000091365354 193046030 /nfs/dbraw/zinc/04/60/30/193046030.db2.gz MTPJZZBCKGHYKO-OAHLLOKOSA-N 0 0 308.164 3.783 10 0 DHAERN COC(=O)c1ccc2c(c1Cl)CCN(Cc1ccccc1)C2 ZINC000091693046 193092732 /nfs/dbraw/zinc/09/27/32/193092732.db2.gz VSVYEKNQJAHEBT-UHFFFAOYSA-N 0 0 315.800 3.685 10 0 DHAERN COC(=O)c1c(Cl)c2cc(OC)ccc2nc1C(F)(F)F ZINC000091691758 193093064 /nfs/dbraw/zinc/09/30/64/193093064.db2.gz RHCPFFROQRRADQ-UHFFFAOYSA-N 0 0 319.666 3.702 10 0 DHAERN CC(=O)c1ccc2ncc(C(N)=O)c(Nc3ccc(C)cc3)c2c1 ZINC000261508598 203073137 /nfs/dbraw/zinc/07/31/37/203073137.db2.gz VBCNTYPVYQJUTL-UHFFFAOYSA-N 0 0 319.364 3.588 10 0 DHAERN N[C@@H]1c2ccsc2N=CN1c1ccccc1Br ZINC000257354364 203068834 /nfs/dbraw/zinc/06/88/34/203068834.db2.gz XHVNEHQGRUMVOZ-NSHDSACASA-N 0 0 308.204 3.648 10 0 DHAERN O=C(c1cc2ccccc2cc1O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000094148937 193346847 /nfs/dbraw/zinc/34/68/47/193346847.db2.gz PYBCJHUQBJPIET-QGZVFWFLSA-N 0 0 321.380 3.636 10 0 DHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1cccnc1 ZINC000095086400 193419555 /nfs/dbraw/zinc/41/95/55/193419555.db2.gz GABWPHRUTPZEPX-MRXNPFEDSA-N 0 0 320.433 3.778 10 0 DHAERN CC(C)Oc1cccc(NC(=S)NC(=O)C2CCCCC2)c1 ZINC000010156275 181658874 /nfs/dbraw/zinc/65/88/74/181658874.db2.gz WOEMYWYVRPFTFR-UHFFFAOYSA-N 0 0 320.458 3.867 10 0 DHAERN Cc1cccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c1 ZINC000012864488 181804862 /nfs/dbraw/zinc/80/48/62/181804862.db2.gz MLKMAUKKFRCCJB-UHFFFAOYSA-N 0 0 310.328 3.970 10 0 DHAERN CCOc1cccc2cc(C(=O)Nc3cc(C)nn3CC)oc21 ZINC000013656792 181875099 /nfs/dbraw/zinc/87/50/99/181875099.db2.gz HNQIIEYONKXNST-UHFFFAOYSA-N 0 0 313.357 3.609 10 0 DHAERN COc1ccc2[nH]c(C3CCCCC3)c(CCNC(C)=O)c2c1 ZINC000013732098 181885858 /nfs/dbraw/zinc/88/58/58/181885858.db2.gz NJCAEUWXAUPHRP-UHFFFAOYSA-N 0 0 314.429 3.903 10 0 DHAERN CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)c(OCC)c1 ZINC000014646749 181963433 /nfs/dbraw/zinc/96/34/33/181963433.db2.gz ODIIOPQYDYALLT-CQSZACIVSA-N 0 0 313.397 3.975 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Nc2nc(C)cs2)cc1OC ZINC000015007142 181981994 /nfs/dbraw/zinc/98/19/94/181981994.db2.gz GEKUPRBMIXHWLA-SOFGYWHQSA-N 0 0 318.398 3.511 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](C)C(C)C)cc1NC(=O)c1ccco1 ZINC000017055243 182072847 /nfs/dbraw/zinc/07/28/47/182072847.db2.gz VQBMDHHRUDLBKK-ZDUSSCGKSA-N 0 0 314.385 3.615 10 0 DHAERN C[C@H](NC(=O)Cc1noc2ccccc21)c1cccc(Cl)c1 ZINC000019205436 182107078 /nfs/dbraw/zinc/10/70/78/182107078.db2.gz RSFLFOSARQVJBZ-NSHDSACASA-N 0 0 314.772 3.901 10 0 DHAERN NC(=S)c1ccc(COc2ccc(Br)cc2)cc1 ZINC000019422652 182122546 /nfs/dbraw/zinc/12/25/46/182122546.db2.gz DQQJCYCJXLYTEN-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1nn(-c2ccc(F)cc2)c2ncc(Br)cc12 ZINC000019436091 182123291 /nfs/dbraw/zinc/12/32/91/182123291.db2.gz NVTUDPGOQKUXGP-UHFFFAOYSA-N 0 0 306.138 3.631 10 0 DHAERN Nc1ccc2c(c1)N(Cc1cccc(Br)c1)CCC2 ZINC000019779411 182147774 /nfs/dbraw/zinc/14/77/74/182147774.db2.gz CBTXRWFDHZXRJW-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN Cc1ccc(SCC(=O)Nc2cc(N)ccc2C)cc1C ZINC000019846449 182156801 /nfs/dbraw/zinc/15/68/01/182156801.db2.gz IGIMUBHSOVOMFV-UHFFFAOYSA-N 0 0 300.427 3.925 10 0 DHAERN C[C@H](Nc1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000019982577 182172997 /nfs/dbraw/zinc/17/29/97/182172997.db2.gz SEQSAGXNEZYVRN-JTQLQIEISA-N 0 0 311.353 3.541 10 0 DHAERN NC(=S)c1ccccc1Nc1ccccc1Br ZINC000020076876 182184978 /nfs/dbraw/zinc/18/49/78/182184978.db2.gz NERHFPOMKDTRCQ-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN CC(C)(C)OC(=O)N1CCC([C@H]2CNc3ccccc32)CC1 ZINC000020281071 182202979 /nfs/dbraw/zinc/20/29/79/182202979.db2.gz TYJQMBWKHHMMRZ-OAHLLOKOSA-N 0 0 302.418 3.843 10 0 DHAERN C[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000020300824 182204051 /nfs/dbraw/zinc/20/40/51/182204051.db2.gz XQGFYNFFVALTEQ-SECBINFHSA-N 0 0 301.217 3.853 10 0 DHAERN Cc1sc2ncnc(NC[C@H](C)O)c2c1-c1ccc(F)cc1 ZINC000020321471 182206942 /nfs/dbraw/zinc/20/69/42/182206942.db2.gz QKDHPIAYXOMXCA-VIFPVBQESA-N 0 0 317.389 3.599 10 0 DHAERN Cc1ccc(-c2csc3ncnc(NC[C@H](C)O)c23)cc1C ZINC000020322102 182207024 /nfs/dbraw/zinc/20/70/24/182207024.db2.gz LDDFAMSNPRHBFO-LBPRGKRZSA-N 0 0 313.426 3.768 10 0 DHAERN CCC(C)(C)NC(=O)[C@H](C)Nc1cccc(Br)c1 ZINC000020364809 182211871 /nfs/dbraw/zinc/21/18/71/182211871.db2.gz KVMDPEYLBMOQON-JTQLQIEISA-N 0 0 313.239 3.554 10 0 DHAERN C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575416 182235191 /nfs/dbraw/zinc/23/51/91/182235191.db2.gz CEEMLDIZOYZILO-CHWSQXEVSA-N 0 0 307.397 3.834 10 0 DHAERN Cc1ccc2[nH]c(-c3cccc(NC(=O)[C@H]4CCCO4)c3)nc2c1 ZINC000021145263 182266648 /nfs/dbraw/zinc/26/66/48/182266648.db2.gz KCLINSXCLNGDNH-QGZVFWFLSA-N 0 0 321.380 3.656 10 0 DHAERN COC(=O)[C@H](c1ccccc1Cl)N1CCc2ccccc2C1 ZINC000024228691 182377383 /nfs/dbraw/zinc/37/73/83/182377383.db2.gz WIHGLUDINXPJDZ-KRWDZBQOSA-N 0 0 315.800 3.612 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccnc(Cl)c1 ZINC000025957838 182426227 /nfs/dbraw/zinc/42/62/27/182426227.db2.gz ASMLMMYTZBZVNM-ZJUUUORDSA-N 0 0 306.715 3.586 10 0 DHAERN CC(C)(C)OC(=O)[C@@]1(OC(C)(C)C)NC=Cc2ccccc21 ZINC000100474091 193800132 /nfs/dbraw/zinc/80/01/32/193800132.db2.gz ORLRIFGIWJGUPR-GOSISDBHSA-N 0 0 303.402 3.570 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)N2CCOC3(CCC3)C2)c2ccccc21 ZINC000152371358 335034170 /nfs/dbraw/zinc/03/41/70/335034170.db2.gz WRYMBSDNIJQQFS-YOEHRIQHSA-N 0 0 314.429 3.590 10 0 DHAERN Cc1cc(Br)cc(N)c1NC(=O)c1cccs1 ZINC000036739043 182839358 /nfs/dbraw/zinc/83/93/58/182839358.db2.gz DZGPGHNKPQOFBX-UHFFFAOYSA-N 0 0 311.204 3.654 10 0 DHAERN Cc1cccc(N)c1NC(=O)c1cc(Br)ccc1F ZINC000037331003 182882461 /nfs/dbraw/zinc/88/24/61/182882461.db2.gz IVIPARPJVXCTET-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN COC(=O)c1sc(Nc2ccc(F)cc2F)nc1Cl ZINC000037579139 182910683 /nfs/dbraw/zinc/91/06/83/182910683.db2.gz FSPUTFSIUVIFQZ-UHFFFAOYSA-N 0 0 304.705 3.605 10 0 DHAERN O=C([O-])[C@@H]([NH2+]C1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000037969068 182944899 /nfs/dbraw/zinc/94/48/99/182944899.db2.gz FSYQXVHJHQWFDS-LBPRGKRZSA-N 0 0 319.348 3.956 10 0 DHAERN CC[C@H]1CCCN1C(=O)c1cc(Br)cn1C1CC1 ZINC000037915190 182936546 /nfs/dbraw/zinc/93/65/46/182936546.db2.gz CPWOFDZELKNHLM-NSHDSACASA-N 0 0 311.223 3.600 10 0 DHAERN O=C1CC(c2ccccc2)=Nc2ccc(Br)cc2N1 ZINC000101857622 193844561 /nfs/dbraw/zinc/84/45/61/193844561.db2.gz ZRKFQYIMFVKVNM-UHFFFAOYSA-N 0 0 315.170 3.912 10 0 DHAERN COC(=O)c1c(N)scc1-c1ccc(Br)s1 ZINC000038001845 182958727 /nfs/dbraw/zinc/95/87/27/182958727.db2.gz CKFZBLIUNAOEPI-UHFFFAOYSA-N 0 0 318.217 3.608 10 0 DHAERN COc1cccc(C[C@H](O)c2ccc(Br)cc2)c1 ZINC000040243317 183049431 /nfs/dbraw/zinc/04/94/31/183049431.db2.gz FYRGXMYCDMNMTG-HNNXBMFYSA-N 0 0 307.187 3.734 10 0 DHAERN Cc1cc(C)cc(OCCn2c(CCCO)nc3ccccc32)c1 ZINC000040225311 183047838 /nfs/dbraw/zinc/04/78/38/183047838.db2.gz WFIKXERIBNCYQV-UHFFFAOYSA-N 0 0 324.424 3.657 10 0 DHAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)OC(C)C ZINC000040239581 183048519 /nfs/dbraw/zinc/04/85/19/183048519.db2.gz ZMKRWEKJCBVKRQ-UHFFFAOYSA-N 0 0 308.381 3.963 10 0 DHAERN CN(C(=O)Cn1c2ccccc2nc1C(C)(C)C)c1ccccc1 ZINC000040239308 183048636 /nfs/dbraw/zinc/04/86/36/183048636.db2.gz NXDZHUNXKFRKQS-UHFFFAOYSA-N 0 0 321.424 3.997 10 0 DHAERN COc1ccc(CCn2cnc3ccc(Cl)cc32)cc1OC ZINC000040406877 183062218 /nfs/dbraw/zinc/06/22/18/183062218.db2.gz SHTCDKUMSBEJTM-UHFFFAOYSA-N 0 0 316.788 3.950 10 0 DHAERN CC(C)Cn1c2ccc(C(F)(F)F)cc2nc1CCCO ZINC000040417617 183063652 /nfs/dbraw/zinc/06/36/52/183063652.db2.gz YSPJLJQAIODFFC-UHFFFAOYSA-N 0 0 300.324 3.636 10 0 DHAERN CCOC(=O)Cc1csc2nc(-c3ccc(C)c(C)c3)cn12 ZINC000040439765 183067695 /nfs/dbraw/zinc/06/76/95/183067695.db2.gz WGWAHINWGZRPCG-UHFFFAOYSA-N 0 0 314.410 3.785 10 0 DHAERN COc1ccc(Cl)cc1Nc1ncnc(NC(C)(C)C)c1N ZINC000040680394 183117018 /nfs/dbraw/zinc/11/70/18/183117018.db2.gz JZWRQZBFJVEWEI-UHFFFAOYSA-N 0 0 321.812 3.675 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Nc3cccnc3)c2N)c1 ZINC000040681939 183117022 /nfs/dbraw/zinc/11/70/22/183117022.db2.gz MLPFDCWICAOMHI-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1c(Cl)cccc1Nc1ncnc(NC(C)(C)C)c1N ZINC000040680388 183117413 /nfs/dbraw/zinc/11/74/13/183117413.db2.gz DHYJNIPIVIDOFA-UHFFFAOYSA-N 0 0 305.813 3.975 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3nccs3)c2N)cc1 ZINC000040688486 183117677 /nfs/dbraw/zinc/11/76/77/183117677.db2.gz NNMZIZJOGCSQHW-UHFFFAOYSA-N 0 0 312.402 3.565 10 0 DHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1NC1CCCCC1 ZINC000040708738 183121390 /nfs/dbraw/zinc/12/13/90/183121390.db2.gz ULHFGXSDBMSJQU-UHFFFAOYSA-N 0 0 319.359 3.825 10 0 DHAERN CCCNc1ncnc(Nc2nc3ccc(C)cc3s2)c1N ZINC000040707810 183121399 /nfs/dbraw/zinc/12/13/99/183121399.db2.gz MMTSHZRDECVXGJ-UHFFFAOYSA-N 0 0 314.418 3.542 10 0 DHAERN Nc1c(Nc2cc(Cl)cc(Cl)c2)ncnc1N1CCCC1 ZINC000040700876 183120069 /nfs/dbraw/zinc/12/00/69/183120069.db2.gz KRUOTZVSKBIXRR-UHFFFAOYSA-N 0 0 324.215 3.709 10 0 DHAERN Nc1c(NC2CCCCC2)ncnc1Sc1ccccc1 ZINC000040708607 183121415 /nfs/dbraw/zinc/12/14/15/183121415.db2.gz JHISPHYYGLFFNT-UHFFFAOYSA-N 0 0 300.431 3.955 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ccc(F)cc3)c2N)c1 ZINC000040781623 183132987 /nfs/dbraw/zinc/13/29/87/183132987.db2.gz LAZJCCABCTZFNT-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN Nc1c(Nc2ccc(F)cc2F)ncnc1OC1CCCCC1 ZINC000040800283 183135123 /nfs/dbraw/zinc/13/51/23/183135123.db2.gz CRUOFFUDQIJSRN-UHFFFAOYSA-N 0 0 320.343 3.792 10 0 DHAERN Cc1ccc(Oc2ncnc(NCCC(C)C)c2N)cc1C ZINC000040797883 183135436 /nfs/dbraw/zinc/13/54/36/183135436.db2.gz KXQGANUHVZHELA-UHFFFAOYSA-N 0 0 300.406 3.926 10 0 DHAERN Cc1cccc(Nc2ncnc(N3CCCCCC3)c2N)c1C ZINC000040725431 183124737 /nfs/dbraw/zinc/12/47/37/183124737.db2.gz PRUHYBGGOMMFFI-UHFFFAOYSA-N 0 0 311.433 3.800 10 0 DHAERN Cc1cc(C)n(-c2ncnc(Oc3ccc(C(C)C)cc3)c2N)n1 ZINC000040727621 183125708 /nfs/dbraw/zinc/12/57/08/183125708.db2.gz JCPPWINEAOHSFG-UHFFFAOYSA-N 0 0 323.400 3.777 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)nc1 ZINC000040755220 183129325 /nfs/dbraw/zinc/12/93/25/183129325.db2.gz RKONTGMRZLVPFH-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN COc1ccc2oc(=O)c(C(=O)Oc3c(C)cccc3C)cc2c1 ZINC000040949482 183150798 /nfs/dbraw/zinc/15/07/98/183150798.db2.gz YMPXRUXXCGJMKF-UHFFFAOYSA-N 0 0 324.332 3.638 10 0 DHAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1cccnc1 ZINC000041057425 183160524 /nfs/dbraw/zinc/16/05/24/183160524.db2.gz ZOVNMDKOZDENMW-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN Nc1cc(Br)cc2nc(-c3ccccc3F)oc21 ZINC000041569860 183204532 /nfs/dbraw/zinc/20/45/32/183204532.db2.gz IDVHGZAFTFAKLQ-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN Fc1ccc2c(Br)c(Br)cnc2c1 ZINC000041702619 183218455 /nfs/dbraw/zinc/21/84/55/183218455.db2.gz SPQOPJFNKGRMEV-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN CN(Cc1cc(Br)cs1)c1ccc(C=O)cc1 ZINC000042399693 183264176 /nfs/dbraw/zinc/26/41/76/183264176.db2.gz WJAMOEKNARHGIQ-UHFFFAOYSA-N 0 0 310.216 3.960 10 0 DHAERN CC[C@@H](NC(=O)c1ccc(Br)cc1F)C(C)C ZINC000042550769 183284185 /nfs/dbraw/zinc/28/41/85/183284185.db2.gz LUXIFGWPVPKHJC-GFCCVEGCSA-N 0 0 302.187 3.753 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N[C@H](CC)C(C)C ZINC000042593507 183289486 /nfs/dbraw/zinc/28/94/86/183289486.db2.gz DSXNXIPVMGXBGM-GFCCVEGCSA-N 0 0 315.255 3.825 10 0 DHAERN CC[C@H](NC(=O)c1cc(Br)cn1C1CC1)C(C)C ZINC000042593515 183289675 /nfs/dbraw/zinc/28/96/75/183289675.db2.gz WDCZLJZKSHUXOC-LBPRGKRZSA-N 0 0 313.239 3.750 10 0 DHAERN C[C@H](c1ccc(Cl)s1)n1ncc(Br)c1N ZINC000043666460 183377604 /nfs/dbraw/zinc/37/76/04/183377604.db2.gz VQXHHVZHWRMLKG-RXMQYKEDSA-N 0 0 306.616 3.552 10 0 DHAERN CC[C@@H](c1cccs1)n1nc(C)c(Br)c1N ZINC000043668758 183378612 /nfs/dbraw/zinc/37/86/12/183378612.db2.gz NIZISRRBVWVFRI-QMMMGPOBSA-N 0 0 300.225 3.597 10 0 DHAERN O=C1CCCCCCN1Cc1ccc(Br)s1 ZINC000043678607 183379461 /nfs/dbraw/zinc/37/94/61/183379461.db2.gz KUCUHQDWMYUEGC-UHFFFAOYSA-N 0 0 302.237 3.803 10 0 DHAERN O=Cc1cccc(OCC(=O)c2ccc(Br)cc2)c1 ZINC000047821578 183605664 /nfs/dbraw/zinc/60/56/64/183605664.db2.gz JVQTXJIBZBLYFM-UHFFFAOYSA-N 0 0 319.154 3.523 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)c1c(F)cccc1F)C2 ZINC000106370335 194201668 /nfs/dbraw/zinc/20/16/68/194201668.db2.gz CLZTYSYJWXVYTR-LBPRGKRZSA-N 0 0 319.399 3.941 10 0 DHAERN COc1ccc(COc2cccc(O)c2)cc1Br ZINC000049596698 183745571 /nfs/dbraw/zinc/74/55/71/183745571.db2.gz YHJZKIKTBVUGED-UHFFFAOYSA-N 0 0 309.159 3.742 10 0 DHAERN COc1ccc(Br)cc1Cn1nc(C)c(C)c1C ZINC000049600702 183747515 /nfs/dbraw/zinc/74/75/15/183747515.db2.gz YDNYEJJOEOQCLB-UHFFFAOYSA-N 0 0 309.207 3.628 10 0 DHAERN COc1cc(N)ccc1OCc1cc(Br)cs1 ZINC000050505592 183787841 /nfs/dbraw/zinc/78/78/41/183787841.db2.gz BHZZFHCGAMEHEX-UHFFFAOYSA-N 0 0 314.204 3.680 10 0 DHAERN Cc1nn(Cc2c(N)cccc2Br)c(C)c1Cl ZINC000050585852 183789680 /nfs/dbraw/zinc/78/96/80/183789680.db2.gz QGKNYARROOSBCV-UHFFFAOYSA-N 0 0 314.614 3.546 10 0 DHAERN Cc1nn(Cc2cc(N)ccc2Cl)c(C)c1Br ZINC000050588680 183789792 /nfs/dbraw/zinc/78/97/92/183789792.db2.gz LSUCICDOTUVUEE-UHFFFAOYSA-N 0 0 314.614 3.546 10 0 DHAERN CCNc1cc(COC)nc2c(F)cc(Br)cc12 ZINC000051698465 183834550 /nfs/dbraw/zinc/83/45/50/183834550.db2.gz MAFMNKYEJKGFIM-UHFFFAOYSA-N 0 0 313.170 3.715 10 0 DHAERN COCc1cc(Cl)c2c(n1)c(OC)cc(Cl)c2OC ZINC000051699704 183834953 /nfs/dbraw/zinc/83/49/53/183834953.db2.gz MLNZBCBEJHMVAR-UHFFFAOYSA-N 0 0 302.157 3.705 10 0 DHAERN Cc1cc(SCc2ccc(Br)s2)n(C)n1 ZINC000052311539 183858131 /nfs/dbraw/zinc/85/81/31/183858131.db2.gz DATCXAGKVZIDCG-UHFFFAOYSA-N 0 0 303.250 3.845 10 0 DHAERN O=C(Cc1ccccc1)Cc1ccc(F)cc1Br ZINC000053763606 183912010 /nfs/dbraw/zinc/91/20/10/183912010.db2.gz CRSOZSCCWGEOMO-UHFFFAOYSA-N 0 0 307.162 3.943 10 0 DHAERN CC(C)(C)OC(=O)Nc1cccc2c1CCN[C@H]2C(F)(F)F ZINC000057219168 184030120 /nfs/dbraw/zinc/03/01/20/184030120.db2.gz MZUQLFFDWPFYSI-GFCCVEGCSA-N 0 0 316.323 3.783 10 0 DHAERN COCc1cc(Cl)nc(Nc2ccc(Cl)c(F)c2)n1 ZINC000057343652 184034341 /nfs/dbraw/zinc/03/43/41/184034341.db2.gz XMKKQMUCEDPZBH-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN Cc1nnc([C@H](Nc2nc3ccccc3s2)c2ccccc2)[nH]1 ZINC000057840105 184056494 /nfs/dbraw/zinc/05/64/94/184056494.db2.gz XTTQTWMCBNJRSR-OAHLLOKOSA-N 0 0 321.409 3.924 10 0 DHAERN CC(C)(Br)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000060223187 184145756 /nfs/dbraw/zinc/14/57/56/184145756.db2.gz KQNRLNUNIVLYQW-UHFFFAOYSA-N 0 0 310.113 3.817 10 0 DHAERN CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)o2)C1=O ZINC000059292765 184136255 /nfs/dbraw/zinc/13/62/55/184136255.db2.gz GZTONNSWUXKBOU-COVOJHCQSA-N 0 0 320.414 3.715 10 0 DHAERN CC(=O)c1ccc(N2CCCSCC2)c(Br)c1 ZINC000061693801 184183432 /nfs/dbraw/zinc/18/34/32/184183432.db2.gz GZADNYGLXSYOFP-UHFFFAOYSA-N 0 0 314.248 3.595 10 0 DHAERN CC(C)(C)n1ccnc(Oc2ccc(Br)cc2)c1=O ZINC000061761794 184187402 /nfs/dbraw/zinc/18/74/02/184187402.db2.gz UHEHTKUUKGYGNT-UHFFFAOYSA-N 0 0 323.190 3.553 10 0 DHAERN O=C(CSC1CCOCC1)c1ccc(Br)cc1 ZINC000062055232 184203396 /nfs/dbraw/zinc/20/33/96/184203396.db2.gz GORZEEIMIXXSQX-UHFFFAOYSA-N 0 0 315.232 3.544 10 0 DHAERN Cc1ncc(COc2c(Cl)cc(Cl)cc2CO)s1 ZINC000062336870 184230829 /nfs/dbraw/zinc/23/08/29/184230829.db2.gz OGTNJNMCGAPSCU-UHFFFAOYSA-N 0 0 304.198 3.830 10 0 DHAERN Nc1cc(Br)ccc1N1CCCc2ccccc2C1 ZINC000062944604 184261946 /nfs/dbraw/zinc/26/19/46/184261946.db2.gz LTYFKJXRFWPAEE-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN Brc1ccc([C@@H]2CN[C@H](c3ccccc3)CO2)s1 ZINC000063003338 184266022 /nfs/dbraw/zinc/26/60/22/184266022.db2.gz XHHXKYCCPBJYOZ-RYUDHWBXSA-N 0 0 324.243 3.913 10 0 DHAERN CCOC(=O)c1sc(COc2ccc(OCC)cc2)nc1C ZINC000064872589 184305334 /nfs/dbraw/zinc/30/53/34/184305334.db2.gz JSHGVPIIQGWLPF-UHFFFAOYSA-N 0 0 321.398 3.606 10 0 DHAERN COCCCNc1ncccc1-c1nnc(-c2ccc(C)cc2)o1 ZINC000065117710 184310751 /nfs/dbraw/zinc/31/07/51/184310751.db2.gz ZTCRLPHBZNNDLW-UHFFFAOYSA-N 0 0 324.384 3.555 10 0 DHAERN C[C@@H](NC(=O)c1ccc(-c2cccnc2)nc1)c1ccc(F)cc1 ZINC000065177885 184313859 /nfs/dbraw/zinc/31/38/59/184313859.db2.gz VRBQDVYUWSBICN-CYBMUJFWSA-N 0 0 321.355 3.774 10 0 DHAERN O=C(Cc1cccs1)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247318 184318054 /nfs/dbraw/zinc/31/80/54/184318054.db2.gz FRLUVXBCYNNTCP-UHFFFAOYSA-N 0 0 310.378 3.535 10 0 DHAERN Fc1cc2nc(Cl)c3ncc(Br)n3c2cc1F ZINC000066054752 184385583 /nfs/dbraw/zinc/38/55/83/184385583.db2.gz BIWVNFGXRUWGFH-UHFFFAOYSA-N 0 0 318.508 3.577 10 0 DHAERN C[C@H](OC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000066886743 184438022 /nfs/dbraw/zinc/43/80/22/184438022.db2.gz DKHQKBNXFPIJRT-NHYWBVRUSA-N 0 0 313.328 3.556 10 0 DHAERN OC[C@@H]1CC[C@@H](c2ccc(F)cc2)O[C@H]1c1ccc(O)cc1 ZINC000504633557 257142751 /nfs/dbraw/zinc/14/27/51/257142751.db2.gz WHJNEXXUKFWSGL-WBAXXEDZSA-N 0 0 302.345 3.733 10 0 DHAERN c1sc([C@@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@@H]3O2)nc1C1CC1 ZINC000503719544 257208721 /nfs/dbraw/zinc/20/87/21/257208721.db2.gz NGOCNTWOTYVHMW-BPUTZDHNSA-N 0 0 304.459 3.582 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N[C@@H]1CCOC2(CCCC2)C1 ZINC000194276850 335064961 /nfs/dbraw/zinc/06/49/61/335064961.db2.gz IALLLCRUMMSKLZ-OAHLLOKOSA-N 0 0 313.401 3.781 10 0 DHAERN CCC(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1 ZINC000004939824 134466071 /nfs/dbraw/zinc/46/60/71/134466071.db2.gz ZBGGNALXNRBSGW-UHFFFAOYSA-N 0 0 324.428 3.728 10 0 DHAERN CCCN1c2cc(-c3csc(C)n3)ccc2O[C@H](C)C1=O ZINC000020163498 134643578 /nfs/dbraw/zinc/64/35/78/134643578.db2.gz SLPNCTCHTKIDLL-SNVBAGLBSA-N 0 0 302.399 3.642 10 0 DHAERN Cc1ccc(Cc2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)cn1 ZINC000299747723 229391966 /nfs/dbraw/zinc/39/19/66/229391966.db2.gz DVJPOQHGVNMBBK-FUHWJXTLSA-N 0 0 321.380 3.609 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000175785259 332907139 /nfs/dbraw/zinc/90/71/39/332907139.db2.gz SAOIYPKRRCYEBE-WAOWUJCRSA-N 0 0 319.404 3.531 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)/C=C/c1cncc(O)c1 ZINC000179416341 331523560 /nfs/dbraw/zinc/52/35/60/331523560.db2.gz YCMBTAXMGVHOTL-DGDCUBRUSA-N 0 0 316.788 3.673 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000180491262 331570298 /nfs/dbraw/zinc/57/02/98/331570298.db2.gz FXTSKIKAKNTEQY-JKSUJKDBSA-N 0 0 307.821 3.740 10 0 DHAERN O=C(Nc1ccc(-c2cccc(=O)[nH]2)cc1)OCc1ccccc1 ZINC000065339725 331876108 /nfs/dbraw/zinc/87/61/08/331876108.db2.gz KDQLGYINKQJUPF-UHFFFAOYSA-N 0 0 320.348 3.791 10 0 DHAERN Cc1nccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000086339346 332020814 /nfs/dbraw/zinc/02/08/14/332020814.db2.gz GTYSAQLYHIRNBV-KBPBESRZSA-N 0 0 314.433 3.585 10 0 DHAERN C[C@H](NC(=O)c1cccc2c1CCCN2)c1ccc(F)c(F)c1 ZINC000130133862 332023051 /nfs/dbraw/zinc/02/30/51/332023051.db2.gz YTCMLFIMAWJRCJ-NSHDSACASA-N 0 0 316.351 3.814 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180868799 332142549 /nfs/dbraw/zinc/14/25/49/332142549.db2.gz HTGIKWOSNUKUSY-HIFRSBDPSA-N 0 0 317.429 3.803 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC[C@]2(C)CCCO2)cc1 ZINC000124627871 332241029 /nfs/dbraw/zinc/24/10/29/332241029.db2.gz WLZOYCQHIHNWBZ-LNLFQRSKSA-N 0 0 301.430 3.599 10 0 DHAERN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N[C@@H](C)C1CC1 ZINC000110008131 332286816 /nfs/dbraw/zinc/28/68/16/332286816.db2.gz ZXASWKXQMSQYHN-NSHDSACASA-N 0 0 318.804 3.668 10 0 DHAERN COc1cccc(-c2noc(-c3ccc(N)cc3Cl)n2)c1 ZINC000048814652 332305361 /nfs/dbraw/zinc/30/53/61/332305361.db2.gz UXBRUVDAAVBGPV-UHFFFAOYSA-N 0 0 301.733 3.648 10 0 DHAERN CCC[C@H]([NH2+]CCCOc1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000185043172 335110513 /nfs/dbraw/zinc/11/05/13/335110513.db2.gz BMTBCAFEKIXSQV-INIZCTEOSA-N 0 0 307.434 3.596 10 0 DHAERN Cc1c2cc(F)ccc2sc1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000151054931 332498978 /nfs/dbraw/zinc/49/89/78/332498978.db2.gz UNPWGCAZASSLCH-BXUZGUMPSA-N 0 0 321.417 3.630 10 0 DHAERN CCC[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000151073142 332504798 /nfs/dbraw/zinc/50/47/98/332504798.db2.gz DATUDKDRWGFORI-WSTZPKSXSA-N 0 0 315.457 3.724 10 0 DHAERN Cc1coc(-c2cccc(NC(=O)N3CCS[C@@H](C)C3)c2)n1 ZINC000157889690 332550709 /nfs/dbraw/zinc/55/07/09/332550709.db2.gz MKTAQDBBUJCYQA-LBPRGKRZSA-N 0 0 317.414 3.619 10 0 DHAERN c1csc([C@H]2CCCCN2Cc2nc(C3CCCC3)no2)n1 ZINC000151739083 332608860 /nfs/dbraw/zinc/60/88/60/332608860.db2.gz JFMIKRBSKPPYKX-CYBMUJFWSA-N 0 0 318.446 3.911 10 0 DHAERN COC(C)(C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000170963401 332615142 /nfs/dbraw/zinc/61/51/42/332615142.db2.gz WYVOJSWARJBCEI-ZETCQYMHSA-N 0 0 308.180 3.735 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178339165 333007928 /nfs/dbraw/zinc/00/79/28/333007928.db2.gz IZTPMYLGANILAH-LXTVHRRPSA-N 0 0 305.368 3.717 10 0 DHAERN C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173653436 333076361 /nfs/dbraw/zinc/07/63/61/333076361.db2.gz OWIQRNMCHVOHRA-WMLDXEAASA-N 0 0 322.412 3.973 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173653473 333076436 /nfs/dbraw/zinc/07/64/36/333076436.db2.gz GTOULFUHLMGMSX-ZIAGYGMSSA-N 0 0 310.463 3.650 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000173653460 333076470 /nfs/dbraw/zinc/07/64/70/333076470.db2.gz GTOULFUHLMGMSX-KBPBESRZSA-N 0 0 310.463 3.650 10 0 DHAERN C[C@@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1cccs1 ZINC000177719735 333131915 /nfs/dbraw/zinc/13/19/15/333131915.db2.gz VSUYXNMCBZMXDV-LLVKDONJSA-N 0 0 319.430 3.599 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000187981675 333156073 /nfs/dbraw/zinc/15/60/73/333156073.db2.gz DLITZDXISITJDB-SUMWQHHRSA-N 0 0 303.402 3.762 10 0 DHAERN CSC[C@H](O)C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000188212306 333360892 /nfs/dbraw/zinc/36/08/92/333360892.db2.gz KRPLRVJKWOXYDN-HTQZYQBOSA-N 0 0 312.237 3.507 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000188279228 333362650 /nfs/dbraw/zinc/36/26/50/333362650.db2.gz WDSVZGXIPWWSRF-NXHRZFHOSA-N 0 0 303.446 3.590 10 0 DHAERN CO[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000188433266 333366311 /nfs/dbraw/zinc/36/63/11/333366311.db2.gz JQOYUQGMRDBDCE-MELADBBJSA-N 0 0 300.402 3.623 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCC(c3ccc(Cl)cc3)CC2)O1 ZINC000185886175 333371470 /nfs/dbraw/zinc/37/14/70/333371470.db2.gz SDXMMOCKFXGHRG-MLGOLLRUSA-N 0 0 307.821 3.614 10 0 DHAERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000021051678 333386784 /nfs/dbraw/zinc/38/67/84/333386784.db2.gz NLQRJFRTKDTZGY-JTQLQIEISA-N 0 0 311.353 3.541 10 0 DHAERN CCCn1nccc1NC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182411520 333501389 /nfs/dbraw/zinc/50/13/89/333501389.db2.gz KOOQAGZVAATKNA-CXAGYDPISA-N 0 0 312.417 3.657 10 0 DHAERN COc1ccc(O)cc1C(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000187664501 334268840 /nfs/dbraw/zinc/26/88/40/334268840.db2.gz UIOVXLWNUBQNOI-LLVKDONJSA-N 0 0 319.788 3.887 10 0 DHAERN C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(F)c(Cl)c1 ZINC000048960267 334303391 /nfs/dbraw/zinc/30/33/91/334303391.db2.gz HIKSWFKUIDOAEY-JTQLQIEISA-N 0 0 313.781 3.519 10 0 DHAERN CC[C@@H](NC(=O)c1ccc(Br)cc1OC)C(C)C ZINC000111075708 334305732 /nfs/dbraw/zinc/30/57/32/334305732.db2.gz WVULPJSLFBJQRU-GFCCVEGCSA-N 0 0 314.223 3.622 10 0 DHAERN CC[C@H](NC(=O)c1ccc(Br)cc1OC)C(C)C ZINC000111075705 334305752 /nfs/dbraw/zinc/30/57/52/334305752.db2.gz WVULPJSLFBJQRU-LBPRGKRZSA-N 0 0 314.223 3.622 10 0 DHAERN CCOC(=O)[C@H](C)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000049367287 334326704 /nfs/dbraw/zinc/32/67/04/334326704.db2.gz VBKDMCRMROQGIR-YUMQZZPRSA-N 0 0 308.180 3.735 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC000112187450 334368701 /nfs/dbraw/zinc/36/87/01/334368701.db2.gz ZIFMJIYAXGQKQP-WBMJQRKESA-N 0 0 303.402 3.837 10 0 DHAERN C[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc(-c2ccncc2)c1 ZINC000164817864 334669558 /nfs/dbraw/zinc/66/95/58/334669558.db2.gz NOZLNXWGBPQNOF-RDTXWAMCSA-N 0 0 319.412 3.526 10 0 DHAERN CCCCCN(CCO)C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000112445673 334710790 /nfs/dbraw/zinc/71/07/90/334710790.db2.gz WUZPAPLBDNLKQL-INIZCTEOSA-N 0 0 324.852 3.521 10 0 DHAERN CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000112859786 334728391 /nfs/dbraw/zinc/72/83/91/334728391.db2.gz YHXJBYKCMSUHPS-OBJOEFQTSA-N 0 0 321.383 3.962 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)s1 ZINC000072734379 334884169 /nfs/dbraw/zinc/88/41/69/334884169.db2.gz KIEINPUCQLZXTL-OLZOCXBDSA-N 0 0 304.419 3.558 10 0 DHAERN O=C(c1cc(Br)ccc1Cl)N1C[C@@H]2CCC[C@@H]21 ZINC000349367675 335666828 /nfs/dbraw/zinc/66/68/28/335666828.db2.gz MNUMMYHWBHDHSL-UFBFGSQYSA-N 0 0 314.610 3.727 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccoc2Cl)C12CCCC2 ZINC000192318504 336031006 /nfs/dbraw/zinc/03/10/06/336031006.db2.gz MWFSZEPQKPDTEP-QWHCGFSZSA-N 0 0 311.809 3.743 10 0 DHAERN O=C(c1ccc2c(c1)CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113895380 336035907 /nfs/dbraw/zinc/03/59/07/336035907.db2.gz WWXQXJGVDFOPPY-SFHVURJKSA-N 0 0 309.413 3.656 10 0 DHAERN O=C(Nc1ccc2ccoc2c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000333296555 336201234 /nfs/dbraw/zinc/20/12/34/336201234.db2.gz GRZCPLRNDJGCBS-RDTXWAMCSA-N 0 0 314.385 3.592 10 0 DHAERN FC(F)(F)C(F)(F)c1noc(-c2noc3c2CCCCC3)n1 ZINC000333746714 336209208 /nfs/dbraw/zinc/20/92/08/336209208.db2.gz WXHJDSMCMYXCPB-UHFFFAOYSA-N 0 0 323.221 3.648 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000103383883 336241367 /nfs/dbraw/zinc/24/13/67/336241367.db2.gz ZBXHXQFEWJFHAN-GFCCVEGCSA-N 0 0 303.333 3.839 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000103390880 336241449 /nfs/dbraw/zinc/24/14/49/336241449.db2.gz SITWCRUCUCWIGZ-GJZGRUSLSA-N 0 0 307.434 3.571 10 0 DHAERN Cc1ccc(CN(C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000043165770 336246572 /nfs/dbraw/zinc/24/65/72/336246572.db2.gz LQIYDSSZMSGFHJ-QGZVFWFLSA-N 0 0 310.397 3.660 10 0 DHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCSc2ccncc21 ZINC000124824052 336257017 /nfs/dbraw/zinc/25/70/17/336257017.db2.gz YOCLUBMRTQHTMF-KBPBESRZSA-N 0 0 302.443 3.737 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCSc2ccccc21 ZINC000167770216 336261647 /nfs/dbraw/zinc/26/16/47/336261647.db2.gz JGEBGLKNPORBNB-ZIAGYGMSSA-N 0 0 314.458 3.502 10 0 DHAERN CCC[C@H]1C[C@H](C(=O)NC2C3CC4CC(C3)CC2C4)CCO1 ZINC000182594504 336274212 /nfs/dbraw/zinc/27/42/12/336274212.db2.gz AMHWJTXKPOHZFC-OUGKCBKLSA-N 0 0 305.462 3.523 10 0 DHAERN C[C@@H]1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)CC(C)(C)C1 ZINC000182640264 336277621 /nfs/dbraw/zinc/27/76/21/336277621.db2.gz DQDIIFKHIWDGTQ-KGLIPLIRSA-N 0 0 313.445 3.684 10 0 DHAERN COc1cc(F)c([C@H](C)Nc2ccc(SC)nn2)cc1OC ZINC000301243620 336296424 /nfs/dbraw/zinc/29/64/24/336296424.db2.gz AIKSRBQYWGJJOF-VIFPVBQESA-N 0 0 323.393 3.528 10 0 DHAERN C[C@H](Nc1ncnc2n[nH]cc21)c1cc2cc(Cl)ccc2o1 ZINC000301286274 336298849 /nfs/dbraw/zinc/29/88/49/336298849.db2.gz QWJRGKPUWUXDAP-QMMMGPOBSA-N 0 0 313.748 3.926 10 0 DHAERN O[C@H](CNc1nc(C(F)F)nc2ccccc21)C1CCCC1 ZINC000301306601 336300031 /nfs/dbraw/zinc/30/00/31/336300031.db2.gz YZJPVTLYWFQOOH-CYBMUJFWSA-N 0 0 307.344 3.530 10 0 DHAERN CN(c1ncnc2cc(Cl)ccc21)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000301329554 336300884 /nfs/dbraw/zinc/30/08/84/336300884.db2.gz CWFQUEBIZOPRAZ-BPLDGKMQSA-N 0 0 317.820 3.533 10 0 DHAERN CC(C)c1noc(NCc2ccc(OCc3cccnc3)cc2)n1 ZINC000301330011 336300954 /nfs/dbraw/zinc/30/09/54/336300954.db2.gz KSQCBKIHMRZLKT-UHFFFAOYSA-N 0 0 324.384 3.779 10 0 DHAERN Cc1cc(NC[C@@H](O)c2ccccc2Cl)nc(C(C)C)n1 ZINC000301379248 336303494 /nfs/dbraw/zinc/30/34/94/336303494.db2.gz XPQLWQVGTSSQCP-CQSZACIVSA-N 0 0 305.809 3.707 10 0 DHAERN Fc1ccc([C@H]2CCC[C@H]2Nc2ccc3nccnc3n2)cc1 ZINC000301400324 336304587 /nfs/dbraw/zinc/30/45/87/336304587.db2.gz BQDWDVIIEQFHLO-HUUCEWRRSA-N 0 0 308.360 3.912 10 0 DHAERN CCc1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc(-c2ccccn2)n1 ZINC000301423811 336305826 /nfs/dbraw/zinc/30/58/26/336305826.db2.gz OKAVGSSRZHEWMY-GJZGRUSLSA-N 0 0 306.413 3.503 10 0 DHAERN Cc1ccc([C@@](C)(O)CNc2ncnc3cc(Cl)ccc32)o1 ZINC000301449151 336307387 /nfs/dbraw/zinc/30/73/87/336307387.db2.gz WRQXCLBFJCRTNQ-INIZCTEOSA-N 0 0 317.776 3.504 10 0 DHAERN CSc1ccc(N(Cc2ccco2)Cc2ccco2)nn1 ZINC000301515939 336311767 /nfs/dbraw/zinc/31/17/67/336311767.db2.gz JWEWFEQXJLLFSJ-UHFFFAOYSA-N 0 0 301.371 3.591 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000301527449 336312635 /nfs/dbraw/zinc/31/26/35/336312635.db2.gz GNJLRGDBYHEXGT-BHVCSQLQSA-N 0 0 311.422 3.520 10 0 DHAERN CCc1cnc([C@H](C)Nc2ncnc3ccc(F)cc32)s1 ZINC000301546079 336313875 /nfs/dbraw/zinc/31/38/75/336313875.db2.gz LCSWBVKZYZVVKR-VIFPVBQESA-N 0 0 302.378 3.961 10 0 DHAERN C[C@@H]1CN(c2ccc3cccc(Br)c3n2)C[C@@H](C)O1 ZINC000301616248 336318603 /nfs/dbraw/zinc/31/86/03/336318603.db2.gz VTUUWWWGRHKEHL-GHMZBOCLSA-N 0 0 321.218 3.611 10 0 DHAERN Fc1ccc(-c2ccc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)nn2)cc1 ZINC000301629220 336319204 /nfs/dbraw/zinc/31/92/04/336319204.db2.gz BWAQWWDIMBSYQY-UAGQMJEPSA-N 0 0 313.376 3.652 10 0 DHAERN Fc1ccc2[nH]c(CCNc3ncccc3C(F)(F)F)nc2c1 ZINC000301715879 336325359 /nfs/dbraw/zinc/32/53/59/336325359.db2.gz JZWRWQWKVBSAIP-UHFFFAOYSA-N 0 0 324.281 3.770 10 0 DHAERN Fc1ccc2[nH]c(CCNc3ccc4ccccc4n3)nc2c1 ZINC000301742081 336326960 /nfs/dbraw/zinc/32/69/60/336326960.db2.gz YIOLLOGODXKMHG-UHFFFAOYSA-N 0 0 306.344 3.905 10 0 DHAERN CCc1sc([C@@H](C)Nc2cc(CC)nc3ncnn32)cc1C ZINC000301783999 336329715 /nfs/dbraw/zinc/32/97/15/336329715.db2.gz UWMIMSOIUHOPRZ-LLVKDONJSA-N 0 0 315.446 3.792 10 0 DHAERN COCc1cc(N[C@@H]2CC[C@@H](SC)C2)nc(C(C)(C)C)n1 ZINC000301795791 336330468 /nfs/dbraw/zinc/33/04/68/336330468.db2.gz PXUQELRITNQAIN-DGCLKSJQSA-N 0 0 309.479 3.617 10 0 DHAERN CCOC(=O)[C@]1(C)CCN(c2ccnc3ccc(Cl)cc32)C1 ZINC000301799890 336330820 /nfs/dbraw/zinc/33/08/20/336330820.db2.gz ZZYDEBUAFHMREB-QGZVFWFLSA-N 0 0 318.804 3.668 10 0 DHAERN CCSC[C@@H](C)N(C)c1cc(C)c(Br)cn1 ZINC000301835946 336332849 /nfs/dbraw/zinc/33/28/49/336332849.db2.gz LMGXBCLBYNJTNT-SNVBAGLBSA-N 0 0 303.269 3.730 10 0 DHAERN CCSC[C@H](C)N(C)c1cc(C)c(Br)cn1 ZINC000301835945 336333293 /nfs/dbraw/zinc/33/32/93/336333293.db2.gz LMGXBCLBYNJTNT-JTQLQIEISA-N 0 0 303.269 3.730 10 0 DHAERN CCc1cc(N[C@@H](C)c2ccc(-c3cncnc3)cc2)nc(C)n1 ZINC000302101042 336348467 /nfs/dbraw/zinc/34/84/67/336348467.db2.gz PXPCUMSKPGMLBT-ZDUSSCGKSA-N 0 0 319.412 3.978 10 0 DHAERN Cc1nc2c(c(NCc3cnc(CC(C)C)s3)n1)CCCC2 ZINC000302113374 336349102 /nfs/dbraw/zinc/34/91/02/336349102.db2.gz VDQAXDRANOMGPE-UHFFFAOYSA-N 0 0 316.474 3.931 10 0 DHAERN Cc1ccc2c(c1)[C@@H](Nc1ccc(S(C)(=O)=O)cc1)[C@@H](C)C2 ZINC000302124789 336349677 /nfs/dbraw/zinc/34/96/77/336349677.db2.gz FMJSQZAVWDWSLY-UGSOOPFHSA-N 0 0 315.438 3.744 10 0 DHAERN CCc1cc(N[C@H](C)c2cccc(-n3ccnc3)c2)nc(C)n1 ZINC000302127334 336349812 /nfs/dbraw/zinc/34/98/12/336349812.db2.gz ZYOFZPXXCLMKFA-CYBMUJFWSA-N 0 0 307.401 3.706 10 0 DHAERN Cc1c(Cl)ccc2ccc(NCCC3(C)OCCO3)nc21 ZINC000302154457 336351219 /nfs/dbraw/zinc/35/12/19/336351219.db2.gz LWGQQRFVMYHQIY-UHFFFAOYSA-N 0 0 306.793 3.762 10 0 DHAERN Cc1cc(NC[C@@](C)(O)c2ccccc2Cl)nc(C(C)C)n1 ZINC000302191205 336353225 /nfs/dbraw/zinc/35/32/25/336353225.db2.gz YWVAMPPJVCWIJK-QGZVFWFLSA-N 0 0 319.836 3.881 10 0 DHAERN Cc1nc(CNc2nnc(Cc3ccccc3)s2)c(C)s1 ZINC000302199166 336353581 /nfs/dbraw/zinc/35/35/81/336353581.db2.gz YOEOGTBOEZGHSB-UHFFFAOYSA-N 0 0 316.455 3.814 10 0 DHAERN Cc1cncc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000302214016 336354220 /nfs/dbraw/zinc/35/42/20/336354220.db2.gz IDMQFXYKMOSQCH-INIZCTEOSA-N 0 0 319.412 3.559 10 0 DHAERN c1ccc([C@@H](Nc2nccn3c2nnc3C2CC2)C2CC2)cc1 ZINC000302222073 336354734 /nfs/dbraw/zinc/35/47/34/336354734.db2.gz SPZJYXNDAFZWIU-OAHLLOKOSA-N 0 0 305.385 3.565 10 0 DHAERN Cc1cc(NCCc2ccc(Br)s2)nnc1C ZINC000302311288 336357051 /nfs/dbraw/zinc/35/70/51/336357051.db2.gz PEIZLQMWGVNGNZ-UHFFFAOYSA-N 0 0 312.236 3.572 10 0 DHAERN CN(c1ccnc2c(F)cc(F)cc12)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000302492762 336359962 /nfs/dbraw/zinc/35/99/62/336359962.db2.gz IZLZBZDZORLSPD-SSKCKEOISA-N 0 0 318.367 3.763 10 0 DHAERN Cc1cc(Oc2ccc3c(c2)CCC3=O)nc(-c2ccncc2)n1 ZINC000302498084 336360118 /nfs/dbraw/zinc/36/01/18/336360118.db2.gz CBGUMJCZZZGKDS-UHFFFAOYSA-N 0 0 317.348 3.768 10 0 DHAERN C[C@H]1CCSCCN1c1ccc(-c2ccc(F)cc2)nn1 ZINC000302691196 336365167 /nfs/dbraw/zinc/36/51/67/336365167.db2.gz CLHBBOLYDWXYQI-LBPRGKRZSA-N 0 0 303.406 3.615 10 0 DHAERN Cc1ccc(CN(C)c2c(F)c(F)nc(F)c2F)cc1F ZINC000302740640 336367389 /nfs/dbraw/zinc/36/73/89/336367389.db2.gz YVOJJZXEUKYNQP-UHFFFAOYSA-N 0 0 302.246 3.722 10 0 DHAERN COCCc1nsc(N[C@H](c2cccs2)C(C)(C)C)n1 ZINC000302838102 336371476 /nfs/dbraw/zinc/37/14/76/336371476.db2.gz YFRBLMYTCXQRPS-GFCCVEGCSA-N 0 0 311.476 3.988 10 0 DHAERN Fc1cccc2c1ncnc2N1CCCC[C@@H]1c1nccs1 ZINC000302918452 336374296 /nfs/dbraw/zinc/37/42/96/336374296.db2.gz XSNUURVAUKVKPM-CYBMUJFWSA-N 0 0 314.389 3.957 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000108951286 336394756 /nfs/dbraw/zinc/39/47/56/336394756.db2.gz RYRPDXBLDQPAAB-GFCCVEGCSA-N 0 0 324.350 3.792 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(O)cc1O ZINC000193124925 336404209 /nfs/dbraw/zinc/40/42/09/336404209.db2.gz CEDSHBDZYXYHPC-JTQLQIEISA-N 0 0 305.761 3.584 10 0 DHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000116202078 336834241 /nfs/dbraw/zinc/83/42/41/336834241.db2.gz VUIROADJWTTXJN-YJBOKZPZSA-N 0 0 311.429 3.966 10 0 DHAERN C[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)Oc1ccccc1 ZINC000116432761 336840276 /nfs/dbraw/zinc/84/02/76/336840276.db2.gz DUQWFZDDNNYGIZ-ZBFHGGJFSA-N 0 0 314.385 3.594 10 0 DHAERN CN(Cc1cscn1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119230585 336883295 /nfs/dbraw/zinc/88/32/95/336883295.db2.gz VACCQSZDHSPDNC-HNNXBMFYSA-N 0 0 319.405 3.501 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)CC3(C)CCCCC3)C2)no1 ZINC000121770964 336977438 /nfs/dbraw/zinc/97/74/38/336977438.db2.gz XCYPPHFOVPKHKY-HNNXBMFYSA-N 0 0 319.449 3.520 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O1 ZINC000122256887 337000390 /nfs/dbraw/zinc/00/03/90/337000390.db2.gz BYMURXLCXAZCFD-CPCISQLKSA-N 0 0 307.699 3.865 10 0 DHAERN O=C(Nc1ccc(F)cn1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000122564720 337012880 /nfs/dbraw/zinc/01/28/80/337012880.db2.gz WBJBJRZOIWLUPU-CYBMUJFWSA-N 0 0 305.740 3.683 10 0 DHAERN CCCOc1ccc(NC(=O)[C@@H]2CC[C@H](C)O2)cc1OCCC ZINC000122731413 337022977 /nfs/dbraw/zinc/02/29/77/337022977.db2.gz BIDHXYOPKDDKQF-BBRMVZONSA-N 0 0 321.417 3.770 10 0 DHAERN CCn1nc(CN2CCCc3c(N)cccc32)c2ccccc21 ZINC000261666313 337028420 /nfs/dbraw/zinc/02/84/20/337028420.db2.gz GSEYRNNUIWQWNY-UHFFFAOYSA-N 0 0 306.413 3.591 10 0 DHAERN CC(=O)Oc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000123018850 337034105 /nfs/dbraw/zinc/03/41/05/337034105.db2.gz MKLUPDPVIRSKSJ-MRXNPFEDSA-N 0 0 316.426 3.796 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccn3C(C)C)C2)n1 ZINC000123030016 337034290 /nfs/dbraw/zinc/03/42/90/337034290.db2.gz QFYDJVAIDJFIAO-AWEZNQCLSA-N 0 0 317.458 3.854 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000123177383 337038815 /nfs/dbraw/zinc/03/88/15/337038815.db2.gz UNOYBTSXNFJTHL-MOPGFXCFSA-N 0 0 324.424 3.501 10 0 DHAERN Cc1ccccc1C1(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000170701315 337082893 /nfs/dbraw/zinc/08/28/93/337082893.db2.gz OTMRJVDVZWECSM-QGZVFWFLSA-N 0 0 307.393 3.667 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cs1 ZINC000170496995 337083233 /nfs/dbraw/zinc/08/32/33/337083233.db2.gz XWCIDQYLLASBBW-GFCCVEGCSA-N 0 0 318.442 3.977 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)COc2cccc(C(C)C)c2)cs1 ZINC000170497187 337083292 /nfs/dbraw/zinc/08/32/92/337083292.db2.gz OTLFAWAETBIPLZ-GFCCVEGCSA-N 0 0 318.442 3.831 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)ccc1F ZINC000171519236 337087674 /nfs/dbraw/zinc/08/76/74/337087674.db2.gz ZPMUJZBUAZWURK-MRXNPFEDSA-N 0 0 305.372 3.652 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2cccc(C(F)F)c2)cn1 ZINC000171514835 337087791 /nfs/dbraw/zinc/08/77/91/337087791.db2.gz ZOPGRVQVHTYDGM-CQSZACIVSA-N 0 0 320.343 3.727 10 0 DHAERN C[C@@H]1CN(Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691022 337088674 /nfs/dbraw/zinc/08/86/74/337088674.db2.gz WGBSRMDFPZSYPS-CYBMUJFWSA-N 0 0 304.484 3.671 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670636 337129333 /nfs/dbraw/zinc/12/93/33/337129333.db2.gz MIWZSWDNRIUAMU-HZPDHXFCSA-N 0 0 305.466 3.634 10 0 DHAERN CCn1c(C)nnc1CN1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000172596612 337130186 /nfs/dbraw/zinc/13/01/86/337130186.db2.gz QLHDRXZJRFTOJW-HNAYVOBHSA-N 0 0 312.461 3.888 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H](C)C2)cc1OC ZINC000172749362 337130772 /nfs/dbraw/zinc/13/07/72/337130772.db2.gz RJWOJLKFQQQKPN-VNHYZAJKSA-N 0 0 305.418 3.707 10 0 DHAERN Cc1c(CSC(C)C)cccc1NCc1nnnn1C(C)C ZINC000172927705 337132511 /nfs/dbraw/zinc/13/25/11/337132511.db2.gz WTZTXYMKFWUUAC-UHFFFAOYSA-N 0 0 319.478 3.816 10 0 DHAERN Cc1csc(NC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)n1 ZINC000173418416 337135190 /nfs/dbraw/zinc/13/51/90/337135190.db2.gz DSTVJNFKWRVYRR-LLVKDONJSA-N 0 0 322.459 3.628 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCCOCC2CC2)o1 ZINC000173536594 337136292 /nfs/dbraw/zinc/13/62/92/337136292.db2.gz KGBSBDDXGIGHPA-MRXNPFEDSA-N 0 0 320.433 3.641 10 0 DHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621580 337136801 /nfs/dbraw/zinc/13/68/01/337136801.db2.gz KMGXMIHIZRSLRL-NHYWBVRUSA-N 0 0 320.387 3.695 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000173630209 337136929 /nfs/dbraw/zinc/13/69/29/337136929.db2.gz DEKWXDBSEFAFGG-HNNXBMFYSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)ccc1F ZINC000173920817 337137604 /nfs/dbraw/zinc/13/76/04/337137604.db2.gz GHTGLRDFKIFOSQ-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1cccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173948656 337137903 /nfs/dbraw/zinc/13/79/03/337137903.db2.gz MNRLDPJQOFGWHB-OAHLLOKOSA-N 0 0 305.381 3.672 10 0 DHAERN CCCCOCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173966042 337137953 /nfs/dbraw/zinc/13/79/53/337137953.db2.gz NSYVIMPNWAVFRM-AWEZNQCLSA-N 0 0 324.490 3.789 10 0 DHAERN CC(C)OCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173968075 337138140 /nfs/dbraw/zinc/13/81/40/337138140.db2.gz YGJUFIYXEHBBBO-CQSZACIVSA-N 0 0 324.490 3.788 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)NCCC3CC3)C2)n1 ZINC000174056321 337139015 /nfs/dbraw/zinc/13/90/15/337139015.db2.gz BNSNVCGJMLIXHL-CQSZACIVSA-N 0 0 321.490 3.956 10 0 DHAERN CCn1cc(C2CCN(C(=O)C(C)(C)CC(C)C)CC2)cn1 ZINC000175431143 337147275 /nfs/dbraw/zinc/14/72/75/337147275.db2.gz USDQEWHBDCZZNC-UHFFFAOYSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000176052108 337150247 /nfs/dbraw/zinc/15/02/47/337150247.db2.gz HNQIZYXESOSXJQ-MRXNPFEDSA-N 0 0 317.458 3.856 10 0 DHAERN CC(C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)=C1CCCC1 ZINC000176621833 337152404 /nfs/dbraw/zinc/15/24/04/337152404.db2.gz LYGSWWWBFQRWNM-INIZCTEOSA-N 0 0 301.434 3.591 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCC2(C)CCCC2)no1 ZINC000177507195 337156343 /nfs/dbraw/zinc/15/63/43/337156343.db2.gz MHGLGWDQMXWUQK-CYBMUJFWSA-N 0 0 320.437 3.620 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1=CCCCO1 ZINC000178067911 337160258 /nfs/dbraw/zinc/16/02/58/337160258.db2.gz QMSPNQPRSFLCHO-OAHLLOKOSA-N 0 0 313.397 3.634 10 0 DHAERN O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCOc2ccccc21 ZINC000178356751 337164125 /nfs/dbraw/zinc/16/41/25/337164125.db2.gz ICSICIDKIIYJMX-OAHLLOKOSA-N 0 0 319.763 3.662 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000178885969 337167344 /nfs/dbraw/zinc/16/73/44/337167344.db2.gz ZSBUGFPQJCPANQ-HOTGVXAUSA-N 0 0 317.477 3.917 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cc(F)cc2cccnc21 ZINC000179986724 337172949 /nfs/dbraw/zinc/17/29/49/337172949.db2.gz OJPZOIWIOUUOAO-MRXNPFEDSA-N 0 0 322.339 3.628 10 0 DHAERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657070 337177125 /nfs/dbraw/zinc/17/71/25/337177125.db2.gz KDYGNXJUIZHJNJ-DOMZBBRYSA-N 0 0 302.397 3.555 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181184367 337182152 /nfs/dbraw/zinc/18/21/52/337182152.db2.gz OMOLRZWDMBLOQL-ZIAGYGMSSA-N 0 0 308.491 3.997 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000181921551 337185271 /nfs/dbraw/zinc/18/52/71/337185271.db2.gz KRLDJAJUKPYIKP-QGZVFWFLSA-N 0 0 322.424 3.708 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CC(C)(C)C1 ZINC000183413164 337191625 /nfs/dbraw/zinc/19/16/25/337191625.db2.gz CRLCARIWDMUGNT-JGVFFNPUSA-N 0 0 303.378 3.877 10 0 DHAERN CCC1(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)CCCCC1 ZINC000184116168 337196339 /nfs/dbraw/zinc/19/63/39/337196339.db2.gz YTPJHSDSNFUGOO-MRXNPFEDSA-N 0 0 303.450 3.716 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)c1csc(Br)c1 ZINC000226234219 337197830 /nfs/dbraw/zinc/19/78/30/337197830.db2.gz RNZHEFRGSPLCCI-UHFFFAOYSA-N 0 0 323.215 3.731 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N[C@H]1CCOc2ccccc21 ZINC000185009328 337201445 /nfs/dbraw/zinc/20/14/45/337201445.db2.gz MFNKNHMOEDDRQK-HNNXBMFYSA-N 0 0 307.349 3.995 10 0 DHAERN C=Cc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000185273164 337203908 /nfs/dbraw/zinc/20/39/08/337203908.db2.gz KOIPSQDEALNJIU-KRWDZBQOSA-N 0 0 309.413 3.657 10 0 DHAERN CC(C)C[C@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000185435352 337205358 /nfs/dbraw/zinc/20/53/58/337205358.db2.gz DCPJOUXWOQRXOX-LBPRGKRZSA-N 0 0 305.422 3.515 10 0 DHAERN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[C@H]1c1ccco1)CO2 ZINC000185905105 337251491 /nfs/dbraw/zinc/25/14/91/337251491.db2.gz PLIFHDHOPWOLSM-HOTGVXAUSA-N 0 0 311.381 3.736 10 0 DHAERN COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c(F)c1 ZINC000024094555 337258603 /nfs/dbraw/zinc/25/86/03/337258603.db2.gz PJXWNLAGXGVGNX-JTQLQIEISA-N 0 0 307.752 3.979 10 0 DHAERN Cc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c(C)n1 ZINC000186908456 337260288 /nfs/dbraw/zinc/26/02/88/337260288.db2.gz OVLGMGCVXSLKLS-HNNXBMFYSA-N 0 0 300.406 3.542 10 0 DHAERN C[C@@H](NC(=O)c1ccnc2ccncc21)c1ccc(Cl)s1 ZINC000186908492 337260398 /nfs/dbraw/zinc/26/03/98/337260398.db2.gz HMRBFYFYHDSZFL-SECBINFHSA-N 0 0 317.801 3.836 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1csc(C(F)(F)F)n1 ZINC000187905682 337268715 /nfs/dbraw/zinc/26/87/15/337268715.db2.gz JCKUVCQBFIYRCA-VIFPVBQESA-N 0 0 314.332 3.961 10 0 DHAERN Fc1ccc([C@H](N[C@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697722 337269309 /nfs/dbraw/zinc/26/93/09/337269309.db2.gz QRPFHXKZSLOVJL-WMZOPIPTSA-N 0 0 323.371 3.752 10 0 DHAERN C[C@H]1CN(Cc2c(F)ccc(Br)c2F)CCS1 ZINC000230346914 337271559 /nfs/dbraw/zinc/27/15/59/337271559.db2.gz JOAGRTIUDABEEN-QMMMGPOBSA-N 0 0 322.218 3.665 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000188626052 337274775 /nfs/dbraw/zinc/27/47/75/337274775.db2.gz JKIRUEABBZZNAA-KBXCAEBGSA-N 0 0 320.481 3.788 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000188957320 337276878 /nfs/dbraw/zinc/27/68/78/337276878.db2.gz HUDWGBVQYMHXIU-IINYFYTJSA-N 0 0 316.228 3.767 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000189453312 337279929 /nfs/dbraw/zinc/27/99/29/337279929.db2.gz FCCQQEVRPRFXCA-GWCFXTLKSA-N 0 0 320.389 3.703 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C4CCC4)cc3)C2)c1 ZINC000191349261 337296113 /nfs/dbraw/zinc/29/61/13/337296113.db2.gz CAUKVOYZMILVDM-IBGZPJMESA-N 0 0 323.440 3.936 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(Cl)c3C)C2)c1 ZINC000192879707 337307962 /nfs/dbraw/zinc/30/79/62/337307962.db2.gz ARUHNDOODZVGGE-AWEZNQCLSA-N 0 0 317.820 3.631 10 0 DHAERN C[C@H](NC(=O)c1ccn(-c2ccccc2F)n1)c1cccs1 ZINC000193073165 337309169 /nfs/dbraw/zinc/30/91/69/337309169.db2.gz UEGLMESYRZGHJT-NSHDSACASA-N 0 0 315.373 3.564 10 0 DHAERN O[C@@H](C[C@H]1c2ncccc2-c2cncn21)C1CCC2(CC2)CC1 ZINC000584590449 337369458 /nfs/dbraw/zinc/36/94/58/337369458.db2.gz OEDPOSRKYMLFOV-RDJZCZTQSA-N 0 0 309.413 3.569 10 0 DHAERN CCOC(=O)C[C@@H]1C[C@@H]([C@@H](C)OC(=O)c2ccccc2)C1(C)C ZINC000584600364 337370749 /nfs/dbraw/zinc/37/07/49/337370749.db2.gz JJBXJRNRYCKXTL-KBMXLJTQSA-N 0 0 318.413 3.847 10 0 DHAERN CCOC(=O)C1CCC(Oc2cccc(OCC3CC3)c2)CC1 ZINC000584601292 337370871 /nfs/dbraw/zinc/37/08/71/337370871.db2.gz KZPJOJNFGPBZCN-UHFFFAOYSA-N 0 0 318.413 3.976 10 0 DHAERN Clc1ccc(I)c(-n2cccc2)c1 ZINC000584613616 337372524 /nfs/dbraw/zinc/37/25/24/337372524.db2.gz SVGJKBQZUYMZPF-UHFFFAOYSA-N 0 0 303.530 3.735 10 0 DHAERN CCCC[C@H](CC)NC(=O)c1ccc(-c2ccncc2)[nH]c1=O ZINC000584613222 337372560 /nfs/dbraw/zinc/37/25/60/337372560.db2.gz QJRIVVKIQILFSF-AWEZNQCLSA-N 0 0 313.401 3.548 10 0 DHAERN CCOC(=O)[C@@H]1Oc2ccc(Oc3ccc(CC)cc3)cc2O1 ZINC000584615121 337372774 /nfs/dbraw/zinc/37/27/74/337372774.db2.gz OKUNEHMHIQMPPX-GOSISDBHSA-N 0 0 314.337 3.702 10 0 DHAERN Cc1[nH]cc(-c2ccc(-c3cnn(C)c3)cc2)c2nc(=O)ccc1-2 ZINC000584615979 337372873 /nfs/dbraw/zinc/37/28/73/337372873.db2.gz KENSDVCQUSEFDW-UHFFFAOYSA-N 0 0 316.364 3.711 10 0 DHAERN CCC(CC)Cn1ncc2cc(Br)cc(CO)c21 ZINC000584617998 337373139 /nfs/dbraw/zinc/37/31/39/337373139.db2.gz BCKJKMYNXCHZRH-UHFFFAOYSA-N 0 0 311.223 3.727 10 0 DHAERN Nc1ccc(-c2ccc(-c3cnn([C@H]4CCCCO4)c3)nc2)cc1 ZINC000584592991 337373539 /nfs/dbraw/zinc/37/35/39/337373539.db2.gz WDSCLWKPGYCLPU-LJQANCHMSA-N 0 0 320.396 3.893 10 0 DHAERN COCC(F)(F)CN(Cc1ccccc1)Cc1ccccc1 ZINC000584595412 337373929 /nfs/dbraw/zinc/37/39/29/337373929.db2.gz PKPMKWQZIRXENP-UHFFFAOYSA-N 0 0 305.368 3.971 10 0 DHAERN C[C@@H](C(=O)c1ccc(OC(F)(F)F)cc1)n1cc(Cl)cn1 ZINC000584621070 337374824 /nfs/dbraw/zinc/37/48/24/337374824.db2.gz OYSDDOWAFFLLDH-QMMMGPOBSA-N 0 0 318.682 3.879 10 0 DHAERN CCOC(=O)Cc1cnc2ccccc2c1-c1cccc(O)c1 ZINC000584635355 337374843 /nfs/dbraw/zinc/37/48/43/337374843.db2.gz VWRIELLBERKGTO-UHFFFAOYSA-N 0 0 307.349 3.713 10 0 DHAERN CC(C)(O)/C=C/[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000584627060 337376108 /nfs/dbraw/zinc/37/61/08/337376108.db2.gz IEKYNRXIVPYPFS-QFQMRYFISA-N 0 0 302.801 3.903 10 0 DHAERN O=C1[C@@H](c2ccccc2)CCN1c1ccc(-c2cn[nH]c2)cc1 ZINC000584630243 337376713 /nfs/dbraw/zinc/37/67/13/337376713.db2.gz UKFOPYMPMPHQBQ-GOSISDBHSA-N 0 0 303.365 3.597 10 0 DHAERN Fc1cc(Br)ccc1NC(=S)c1cccnc1 ZINC000584632112 337377193 /nfs/dbraw/zinc/37/71/93/337377193.db2.gz CNMXKUSMMKQPQN-UHFFFAOYSA-N 0 0 311.179 3.771 10 0 DHAERN O[C@H](c1ccccn1)c1ccnc2c1cccc2C(F)(F)F ZINC000584637182 337379430 /nfs/dbraw/zinc/37/94/30/337379430.db2.gz BWPNVVUDNFZXQK-HNNXBMFYSA-N 0 0 304.271 3.730 10 0 DHAERN CCOP(=O)(OCC)[C@H](CCc1ccccc1)OC(C)=O ZINC000584650858 337380920 /nfs/dbraw/zinc/38/09/20/337380920.db2.gz JMZMIYZNFGGSLV-OAHLLOKOSA-N 0 0 314.318 3.775 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC000105846706 337386810 /nfs/dbraw/zinc/38/68/10/337386810.db2.gz DJFVPMQXAXRVAK-MRXNPFEDSA-N 0 0 303.450 3.671 10 0 DHAERN CC[C@@H](CC1CCCCC1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116121777 337392418 /nfs/dbraw/zinc/39/24/18/337392418.db2.gz QGJWATQOQYIUIR-DLBZAZTESA-N 0 0 317.477 3.733 10 0 DHAERN c1coc([C@H]2CCCN2Cc2noc(-c3ccsc3)n2)c1 ZINC000116404399 337392685 /nfs/dbraw/zinc/39/26/85/337392685.db2.gz MLIQCEWXPPMHGX-GFCCVEGCSA-N 0 0 301.371 3.728 10 0 DHAERN CC(C)(C)c1nnc(NC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116489670 337392700 /nfs/dbraw/zinc/39/27/00/337392700.db2.gz IUCHIBXQTXPTOC-SNVBAGLBSA-N 0 0 320.418 3.798 10 0 DHAERN CC(C)(C)c1ncc(NC(=O)N2CCC[C@H]2c2ccco2)cn1 ZINC000116493179 337392760 /nfs/dbraw/zinc/39/27/60/337392760.db2.gz PLYRJZNVTFKWFD-ZDUSSCGKSA-N 0 0 314.389 3.736 10 0 DHAERN CCC1(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CCCC1 ZINC000119341438 337394718 /nfs/dbraw/zinc/39/47/18/337394718.db2.gz YFVNHEDFYABGNI-HNNXBMFYSA-N 0 0 303.450 3.671 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000122729239 337396951 /nfs/dbraw/zinc/39/69/51/337396951.db2.gz LFTJWRFUTTZRKY-INIZCTEOSA-N 0 0 305.372 3.652 10 0 DHAERN COCC[C@H](C)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000123543400 337399746 /nfs/dbraw/zinc/39/97/46/337399746.db2.gz RXMFRLIGZWWILB-LSDHHAIUSA-N 0 0 322.449 3.507 10 0 DHAERN CCC(CC)C(=O)N[C@H](c1ccncc1)c1ccc(F)cc1 ZINC000041534013 337402908 /nfs/dbraw/zinc/40/29/08/337402908.db2.gz ZPIDTDQRKSRSFI-KRWDZBQOSA-N 0 0 300.377 3.863 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2CCC(F)(F)F)O1 ZINC000124655667 337406615 /nfs/dbraw/zinc/40/66/15/337406615.db2.gz ZEHUZEJNONVHML-MFKMUULPSA-N 0 0 301.308 3.688 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)c2cnn3c2CCCC3)c2ccccc21 ZINC000125185750 337409820 /nfs/dbraw/zinc/40/98/20/337409820.db2.gz XEQQGRYTJOPPDR-SUMWQHHRSA-N 0 0 309.413 3.588 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)c2cnn3c2CCCC3)c2ccccc21 ZINC000125185329 337409848 /nfs/dbraw/zinc/40/98/48/337409848.db2.gz XEQQGRYTJOPPDR-GUYCJALGSA-N 0 0 309.413 3.588 10 0 DHAERN CCN(CCc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043164906 337409982 /nfs/dbraw/zinc/40/99/82/337409982.db2.gz YASWMZKMXPEHPD-GOSISDBHSA-N 0 0 324.424 3.784 10 0 DHAERN O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CCOc2ccccc21 ZINC000043647799 337412507 /nfs/dbraw/zinc/41/25/07/337412507.db2.gz AMIXMSUPSFZYCA-GFCCVEGCSA-N 0 0 315.398 3.666 10 0 DHAERN CCc1ccc([C@H]2COCCN2Cc2ccc3ccccc3n2)o1 ZINC000126235447 337415882 /nfs/dbraw/zinc/41/58/82/337415882.db2.gz AIEIDSMFNAFLRX-LJQANCHMSA-N 0 0 322.408 3.964 10 0 DHAERN CCC[C@@](C)(O)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000126759511 337417761 /nfs/dbraw/zinc/41/77/61/337417761.db2.gz RSTQHEAQEWWMJK-CXAGYDPISA-N 0 0 324.490 3.524 10 0 DHAERN C[C@@H]1CC[C@H](c2nc(-c3cc(Br)cs3)no2)O1 ZINC000129200118 337428634 /nfs/dbraw/zinc/42/86/34/337428634.db2.gz SOPRSEMQBGEHJJ-HTRCEHHLSA-N 0 0 315.192 3.801 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cc(C(C)=O)c[nH]2)o1 ZINC000129443503 337429615 /nfs/dbraw/zinc/42/96/15/337429615.db2.gz OMSLZMVWCOHENB-INIZCTEOSA-N 0 0 314.385 3.740 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2N(C)C2CCCC2)O1 ZINC000129748686 337430498 /nfs/dbraw/zinc/43/04/98/337430498.db2.gz UWWMPAJJAYTMMP-DYVFJYSZSA-N 0 0 302.418 3.571 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(F)cc2F)o1 ZINC000047924021 337431917 /nfs/dbraw/zinc/43/19/17/337431917.db2.gz OAWCFPAJDCBRFS-MNOVXSKESA-N 0 0 308.328 3.988 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)C(=O)Nc2ccccc2)cc1 ZINC000048729428 337435037 /nfs/dbraw/zinc/43/50/37/337435037.db2.gz YXPZEQBXUKQMPI-HNNXBMFYSA-N 0 0 324.424 3.701 10 0 DHAERN O=C(c1csc2ccccc12)N1CC[C@H](Oc2cccnc2)C1 ZINC000135812476 337453012 /nfs/dbraw/zinc/45/30/12/337453012.db2.gz BYCHBYMZRNWMJT-AWEZNQCLSA-N 0 0 324.405 3.590 10 0 DHAERN O=C(CCc1ccc(Cl)s1)N[C@@H]1COc2ccccc21 ZINC000058729914 337458754 /nfs/dbraw/zinc/45/87/54/337458754.db2.gz XJJTWOLFTSEWMV-GFCCVEGCSA-N 0 0 307.802 3.584 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)N1CCC[C@H]1c1cccs1 ZINC000194693849 337463100 /nfs/dbraw/zinc/46/31/00/337463100.db2.gz NSDJGCJPSLECQP-KBPBESRZSA-N 0 0 314.410 3.728 10 0 DHAERN CCc1nnc(COc2cc(C(F)(F)F)ccc2Cl)n1C ZINC000194674159 337463108 /nfs/dbraw/zinc/46/31/08/337463108.db2.gz NRBFCLQGUYCMFP-UHFFFAOYSA-N 0 0 319.714 3.629 10 0 DHAERN Cc1n[nH]cc1C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000194887033 337463954 /nfs/dbraw/zinc/46/39/54/337463954.db2.gz ODQMRSABTIEKNY-SSDOTTSWSA-N 0 0 316.163 3.655 10 0 DHAERN Cn1c(CNc2ccc(-c3ccccc3)cc2)nnc1C1CC1 ZINC000194989424 337464574 /nfs/dbraw/zinc/46/45/74/337464574.db2.gz HAITWLRFRQHMKO-UHFFFAOYSA-N 0 0 304.397 3.972 10 0 DHAERN CC[C@@H](NCc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000195052317 337464625 /nfs/dbraw/zinc/46/46/25/337464625.db2.gz BQAVBMVDCUCGAV-CQSZACIVSA-N 0 0 304.825 3.587 10 0 DHAERN CCn1ccnc1CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000195513810 337468063 /nfs/dbraw/zinc/46/80/63/337468063.db2.gz LOIKJPRMRZAMIN-CQSZACIVSA-N 0 0 312.442 3.850 10 0 DHAERN Cc1cccc(C)c1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000072534666 337547898 /nfs/dbraw/zinc/54/78/98/337547898.db2.gz IJVPAZMTMXSBDC-MRXNPFEDSA-N 0 0 319.408 3.980 10 0 DHAERN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@H](C)C(C)C)c1 ZINC000075469813 337553772 /nfs/dbraw/zinc/55/37/72/337553772.db2.gz ZJYBYBUQRSVTTP-OAHLLOKOSA-N 0 0 318.461 3.723 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000246581703 337553867 /nfs/dbraw/zinc/55/38/67/337553867.db2.gz LQQDYVBWTMCGAF-KCXAZCMYSA-N 0 0 303.450 3.527 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)C2)c1 ZINC000247426788 337559608 /nfs/dbraw/zinc/55/96/08/337559608.db2.gz OJOMEOUOIYMJDY-FGTMMUONSA-N 0 0 315.461 3.571 10 0 DHAERN O=C(Nc1ccc2c(c1)CCO2)N1CC=C(c2ccccc2)CC1 ZINC000076138132 337565322 /nfs/dbraw/zinc/56/53/22/337565322.db2.gz PMQNWBZOIIGIOU-UHFFFAOYSA-N 0 0 320.392 3.943 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000249268753 337570114 /nfs/dbraw/zinc/57/01/14/337570114.db2.gz CLAZJRHOAZUXPI-MAZHCROVSA-N 0 0 307.821 3.819 10 0 DHAERN CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000251441452 337581991 /nfs/dbraw/zinc/58/19/91/337581991.db2.gz BDMJVMUUQHQLMP-QAETUUGQSA-N 0 0 319.445 3.911 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000253352421 337600546 /nfs/dbraw/zinc/60/05/46/337600546.db2.gz OOWQNNRTBHCYRJ-IHRRRGAJSA-N 0 0 324.490 3.909 10 0 DHAERN CCC(CC)(C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263054537 337623782 /nfs/dbraw/zinc/62/37/82/337623782.db2.gz LNZAQGDBOCWNQA-HOTGVXAUSA-N 0 0 307.409 3.942 10 0 DHAERN CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263105071 337624488 /nfs/dbraw/zinc/62/44/88/337624488.db2.gz XPPJYVFPUZAMGZ-BFYDXBDKSA-N 0 0 307.409 3.798 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000263384091 337627336 /nfs/dbraw/zinc/62/73/36/337627336.db2.gz CKCSIWFOWLXUEF-MSOLQXFVSA-N 0 0 313.372 3.950 10 0 DHAERN CC(C)C[C@@H](NC(=O)[C@H]1CCCn2ccnc21)c1ccccc1 ZINC000080534522 337678436 /nfs/dbraw/zinc/67/84/36/337678436.db2.gz JXJIRMYZDNODIO-DLBZAZTESA-N 0 0 311.429 3.664 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000081569144 337726007 /nfs/dbraw/zinc/72/60/07/337726007.db2.gz WPTGEMXKSLIGTE-LLVKDONJSA-N 0 0 322.430 3.565 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2cc(C)ccc2C)cc1OC ZINC000045382670 337821401 /nfs/dbraw/zinc/82/14/01/337821401.db2.gz YNIPLUMSSMACAP-CQSZACIVSA-N 0 0 313.397 3.812 10 0 DHAERN C[C@@H](CC(=O)N[C@@H]1COc2ccccc21)c1ccc(F)cc1F ZINC000119551902 337861285 /nfs/dbraw/zinc/86/12/85/337861285.db2.gz SUUNFCFPRMXENX-MEDUHNTESA-N 0 0 317.335 3.708 10 0 DHAERN Cc1ccc(CC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)cc1O ZINC000089458681 337869769 /nfs/dbraw/zinc/86/97/69/337869769.db2.gz UGUJDKMDBPTDHS-SCLBCKFNSA-N 0 0 309.409 3.998 10 0 DHAERN COCCC1(CNC(=O)N[C@H](C)c2ccccc2C)CCCC1 ZINC000121934618 337902518 /nfs/dbraw/zinc/90/25/18/337902518.db2.gz VRGZRWPRTZOORD-MRXNPFEDSA-N 0 0 318.461 3.952 10 0 DHAERN Cc1cc(Br)cnc1N1CCC[C@H](C(F)(F)F)C1 ZINC000122960634 337933060 /nfs/dbraw/zinc/93/30/60/337933060.db2.gz CTEZIVWEOWUIGK-VIFPVBQESA-N 0 0 323.156 3.931 10 0 DHAERN C[C@@H](NC[C@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229441 338162506 /nfs/dbraw/zinc/16/25/06/338162506.db2.gz NRJQSRMZDDUYGQ-XRGYYRRGSA-N 0 0 320.113 3.706 10 0 DHAERN CCc1ccc([C@@H](C)NCc2ccsc2C(=O)OC)cc1 ZINC000154166782 338238026 /nfs/dbraw/zinc/23/80/26/338238026.db2.gz HBLLLSUGXKPUNC-GFCCVEGCSA-N 0 0 303.427 3.948 10 0 DHAERN C[C@H](NCc1cnns1)c1c(Cl)ccc(F)c1Cl ZINC000400233503 340139502 /nfs/dbraw/zinc/13/95/02/340139502.db2.gz PKNYQMKSFDUOKQ-LURJTMIESA-N 0 0 306.193 3.835 10 0 DHAERN C[C@H](NC(=O)C1(O)CCCC1)c1c(Cl)ccc(F)c1Cl ZINC000086565791 340246317 /nfs/dbraw/zinc/24/63/17/340246317.db2.gz BMYSRHGPSZNERA-QMMMGPOBSA-N 0 0 320.191 3.615 10 0 DHAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)C1CCC1 ZINC000172693127 340336848 /nfs/dbraw/zinc/33/68/48/340336848.db2.gz SKARMRZBMHVLBD-SECBINFHSA-N 0 0 302.201 3.772 10 0 DHAERN Cc1ccccc1CCC(=O)N[C@H](C)COCc1ccccc1 ZINC000172954480 340349894 /nfs/dbraw/zinc/34/98/94/340349894.db2.gz LGVALXMWMUYJCO-QGZVFWFLSA-N 0 0 311.425 3.649 10 0 DHAERN C[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)c1ccccc1F ZINC000172961830 340350202 /nfs/dbraw/zinc/35/02/02/340350202.db2.gz TVGNOLWFHQXVCX-LSDHHAIUSA-N 0 0 315.388 3.651 10 0 DHAERN C[C@H](C1CC1)N(C(=O)N[C@@H](C)COCc1ccccc1)C1CC1 ZINC000173337913 340362918 /nfs/dbraw/zinc/36/29/18/340362918.db2.gz JQUVYSCRRYJGHM-LSDHHAIUSA-N 0 0 316.445 3.564 10 0 DHAERN COc1ccc2sc(C(=O)N3CCS[C@H](C)C3)c(C)c2c1 ZINC000173532877 340367123 /nfs/dbraw/zinc/36/71/23/340367123.db2.gz QXMOBIXQWRMUCG-SNVBAGLBSA-N 0 0 321.467 3.796 10 0 DHAERN C[C@@H](NC(=O)CCC1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000173792012 340374113 /nfs/dbraw/zinc/37/41/13/340374113.db2.gz VRDYPRQXKAQTNC-LLVKDONJSA-N 0 0 313.800 3.863 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H](C)C3)C2)n1 ZINC000174031289 340380647 /nfs/dbraw/zinc/38/06/47/340380647.db2.gz ONJQEUHLMFQVPN-CFVMTHIKSA-N 0 0 321.490 3.919 10 0 DHAERN Cc1nc(CNC(=O)N[C@@H](C)c2ccccc2C)sc1C ZINC000174311245 340385778 /nfs/dbraw/zinc/38/57/78/340385778.db2.gz AOTXANIKXSJXHX-LBPRGKRZSA-N 0 0 303.431 3.629 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000174536940 340391159 /nfs/dbraw/zinc/39/11/59/340391159.db2.gz HRYIHLDPLWFPKD-JKSUJKDBSA-N 0 0 312.413 3.652 10 0 DHAERN COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000174544907 340391222 /nfs/dbraw/zinc/39/12/22/340391222.db2.gz OXRIFAJGLMZYDM-NEPJUHHUSA-N 0 0 312.841 3.904 10 0 DHAERN C[C@H](CCc1cccn1C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000174590324 340392325 /nfs/dbraw/zinc/39/23/25/340392325.db2.gz BXGFFXBRTMGINH-OLMNPRSZSA-N 0 0 302.462 3.679 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000174898188 340398844 /nfs/dbraw/zinc/39/88/44/340398844.db2.gz XBFYRGYDPXCQKS-QWRGUYRKSA-N 0 0 311.223 3.704 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1C)c1cccc(Br)c1 ZINC000174898169 340398896 /nfs/dbraw/zinc/39/88/96/340398896.db2.gz XBFYRGYDPXCQKS-MNOVXSKESA-N 0 0 311.223 3.704 10 0 DHAERN CC[C@H](CC(=O)NC1(c2noc(C3CC3)n2)CCCC1)C(C)C ZINC000174998305 340401022 /nfs/dbraw/zinc/40/10/22/340401022.db2.gz GVBGBUYYFMMEPD-CYBMUJFWSA-N 0 0 319.449 3.905 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)NCCOCc1ccccc1 ZINC000177574223 340441685 /nfs/dbraw/zinc/44/16/85/340441685.db2.gz YBUNQWNLWXNSSV-MRXNPFEDSA-N 0 0 312.413 3.572 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC000177888346 340444985 /nfs/dbraw/zinc/44/49/85/340444985.db2.gz DWUFOTDIODHIRA-KBXCAEBGSA-N 0 0 311.381 3.772 10 0 DHAERN C[C@@H](N[C@H]1CCc2c1cccc2Cl)c1nnc2n1CCCC2 ZINC000178075517 340446609 /nfs/dbraw/zinc/44/66/09/340446609.db2.gz AIWNLJYSOYBDBS-ABAIWWIYSA-N 0 0 316.836 3.606 10 0 DHAERN C[C@H](NC(=O)[C@H](C)Oc1cc(F)ccc1F)c1ccccc1 ZINC000178169516 340447440 /nfs/dbraw/zinc/44/74/40/340447440.db2.gz QFAMUMHVPDQFOL-RYUDHWBXSA-N 0 0 305.324 3.610 10 0 DHAERN COCCC[C@H](C)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000183505455 340488125 /nfs/dbraw/zinc/48/81/25/340488125.db2.gz RGJPGRATDGZFJG-WMLDXEAASA-N 0 0 303.446 3.879 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCc2c1cccc2F ZINC000183741823 340489048 /nfs/dbraw/zinc/48/90/48/340489048.db2.gz PNISBVZIHXCZSO-QWHCGFSZSA-N 0 0 317.310 3.797 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)CCc1cccc2c1OCO2 ZINC000184786418 340495717 /nfs/dbraw/zinc/49/57/17/340495717.db2.gz LJEARUQMBDAYOX-CQSZACIVSA-N 0 0 311.381 3.534 10 0 DHAERN CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000189022067 340524651 /nfs/dbraw/zinc/52/46/51/340524651.db2.gz CTJALKPUFCYFGB-YPMHNXCESA-N 0 0 311.809 3.882 10 0 DHAERN Cc1ccc(CNC(=O)[C@H]2CCCO[C@@H]2C)c(OC(C)(C)C)c1 ZINC000189183716 340528919 /nfs/dbraw/zinc/52/89/19/340528919.db2.gz NXUDOIIBPXYKFG-ZBFHGGJFSA-N 0 0 319.445 3.604 10 0 DHAERN Cc1cc(C)cc(C2=CCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)c1 ZINC000189937244 340541259 /nfs/dbraw/zinc/54/12/59/340541259.db2.gz JPBUJVAJPUWDCD-LPHOPBHVSA-N 0 0 313.441 3.734 10 0 DHAERN Cc1cc(C)cc(OCCCO[C@@H]2CCCc3c[nH]nc32)c1 ZINC000190168698 340543250 /nfs/dbraw/zinc/54/32/50/340543250.db2.gz RMYYMQQYUJSRAF-QGZVFWFLSA-N 0 0 300.402 3.890 10 0 DHAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000191910049 340560216 /nfs/dbraw/zinc/56/02/16/340560216.db2.gz UERXJCBHQTXGCX-GUBZILKMSA-N 0 0 319.232 3.777 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@H](C)CC1)c1ccc(Cl)s1 ZINC000192229454 340564883 /nfs/dbraw/zinc/56/48/83/340564883.db2.gz VNRPOONMPPASKM-NXEZZACHSA-N 0 0 318.895 4.000 10 0 DHAERN OC[C@@H]1CCCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000225271760 340566229 /nfs/dbraw/zinc/56/62/29/340566229.db2.gz KHRIEWPCGXKIDI-KWQFWETISA-N 0 0 308.731 3.717 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000193117242 340572564 /nfs/dbraw/zinc/57/25/64/340572564.db2.gz XXGFUQPGOLKAMM-CZUORRHYSA-N 0 0 308.381 3.844 10 0 DHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000193119831 340572625 /nfs/dbraw/zinc/57/26/25/340572625.db2.gz WTGBRGDNRFZYSA-FVQBIDKESA-N 0 0 302.418 3.730 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000193117267 340572643 /nfs/dbraw/zinc/57/26/43/340572643.db2.gz XXGFUQPGOLKAMM-CJNGLKHVSA-N 0 0 308.381 3.844 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cc(Br)cs2)o1 ZINC000195024020 340572887 /nfs/dbraw/zinc/57/28/87/340572887.db2.gz IHJOPOFMEGIASA-QMMMGPOBSA-N 0 0 314.204 3.903 10 0 DHAERN C[C@H](NC(=O)C(=O)c1ccccc1)c1ccc(F)cc1Cl ZINC000194331964 340591189 /nfs/dbraw/zinc/59/11/89/340591189.db2.gz LDPMHTKLRFUAJF-JTQLQIEISA-N 0 0 305.736 3.539 10 0 DHAERN CCCOc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194720233 340595271 /nfs/dbraw/zinc/59/52/71/340595271.db2.gz LBFHPNLKVQDGFQ-OAHLLOKOSA-N 0 0 312.369 3.731 10 0 DHAERN Cc1nnsc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000194798768 340596187 /nfs/dbraw/zinc/59/61/87/340596187.db2.gz PEFHQHWYXNDQPV-LURJTMIESA-N 0 0 316.213 3.644 10 0 DHAERN CCOC(=O)c1ccccc1NC(=O)c1ccc2cc[nH]c2c1 ZINC000077531061 340711570 /nfs/dbraw/zinc/71/15/70/340711570.db2.gz VUYYWWXDQBBPFO-UHFFFAOYSA-N 0 0 308.337 3.597 10 0 DHAERN CCOC(=O)[C@@H](NCc1cccs1)c1ccc(Cl)cc1 ZINC000037967082 340788703 /nfs/dbraw/zinc/78/87/03/340788703.db2.gz UIRMNXYDINMDSZ-AWEZNQCLSA-N 0 0 309.818 3.796 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2)C12CCCC2 ZINC000124697901 340800506 /nfs/dbraw/zinc/80/05/06/340800506.db2.gz BDKBVNHAUONJPI-JKSUJKDBSA-N 0 0 302.418 3.888 10 0 DHAERN C[C@H]1CN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CCS1 ZINC000126393776 340826661 /nfs/dbraw/zinc/82/66/61/340826661.db2.gz WMNBRWGGGQQNHY-QMMMGPOBSA-N 0 0 323.767 3.936 10 0 DHAERN O=C(Nc1cc(-c2ccccc2)on1)N[C@H]1COc2ccccc21 ZINC000127074767 340843458 /nfs/dbraw/zinc/84/34/58/340843458.db2.gz HTYSBEGAJBOIAU-AWEZNQCLSA-N 0 0 321.336 3.597 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)[C@H](C)OC[C@@H]2CCCO2)cc1 ZINC000068758296 340928945 /nfs/dbraw/zinc/92/89/45/340928945.db2.gz DTBHCYAOLKJDGW-VKJFTORMSA-N 0 0 319.445 3.571 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2Cl)O1 ZINC000130441110 341021879 /nfs/dbraw/zinc/02/18/79/341021879.db2.gz WCSQDWUHRXVKRL-WRWORJQWSA-N 0 0 318.598 3.609 10 0 DHAERN CCCC[C@@H](CCC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000130801693 341045824 /nfs/dbraw/zinc/04/58/24/341045824.db2.gz BCIHYFKIBUMWGU-OAHLLOKOSA-N 0 0 320.481 3.905 10 0 DHAERN CC1(C)CCCC[C@@H]1CC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000132857697 341147516 /nfs/dbraw/zinc/14/75/16/341147516.db2.gz KNDNMHXCFRXIEZ-MDZRGWNJSA-N 0 0 307.478 3.747 10 0 DHAERN CC[C@@H](C)OCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000132904559 341149090 /nfs/dbraw/zinc/14/90/90/341149090.db2.gz SMORVBUTGSUGJU-GDBMZVCRSA-N 0 0 317.429 3.754 10 0 DHAERN C[C@@H]1CC[C@H](CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000133327546 341172951 /nfs/dbraw/zinc/17/29/51/341172951.db2.gz XCLSIYZGLXEMOW-OLZOCXBDSA-N 0 0 317.433 3.659 10 0 DHAERN CCC(CC)CC(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000133347923 341173444 /nfs/dbraw/zinc/17/34/44/341173444.db2.gz AWKSDVSJDZEMRW-UHFFFAOYSA-N 0 0 307.438 3.905 10 0 DHAERN CCOc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000078491051 341242951 /nfs/dbraw/zinc/24/29/51/341242951.db2.gz QFOKYDSTRPPBTA-STQMWFEESA-N 0 0 315.335 3.936 10 0 DHAERN COc1ccc([C@H](C)C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000137037684 341270999 /nfs/dbraw/zinc/27/09/99/341270999.db2.gz YZSLJLHEBAKALT-KBPBESRZSA-N 0 0 313.397 3.724 10 0 DHAERN CC[C@H](C)[C@H](C)N(C(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000245435658 341293812 /nfs/dbraw/zinc/29/38/12/341293812.db2.gz SYRXGDHHWDZLOL-XEZPLFJOSA-N 0 0 302.418 3.729 10 0 DHAERN CCCCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CO ZINC000081609667 341299318 /nfs/dbraw/zinc/29/93/18/341299318.db2.gz XXRRCIBKYUXZOQ-LSDHHAIUSA-N 0 0 320.433 3.538 10 0 DHAERN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C[C@H](C)O1 ZINC000245557699 341301708 /nfs/dbraw/zinc/30/17/08/341301708.db2.gz AXZQCGPBRVMSJY-PYOGLGTISA-N 0 0 316.445 3.880 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCOCC2)cc1 ZINC000245592661 341304098 /nfs/dbraw/zinc/30/40/98/341304098.db2.gz AONFSEXEJHGZCK-BZSNNMDCSA-N 0 0 301.430 3.599 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1C ZINC000245850623 341316172 /nfs/dbraw/zinc/31/61/72/341316172.db2.gz CVVBJIBRAJMUML-FDYHWXHSSA-N 0 0 306.372 3.795 10 0 DHAERN CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000246112517 341326931 /nfs/dbraw/zinc/32/69/31/341326931.db2.gz CHTAVITUKJLVDZ-QGTPRVQTSA-N 0 0 317.429 3.648 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000246214514 341334160 /nfs/dbraw/zinc/33/41/60/341334160.db2.gz OFANFPJEIWIGSO-MNEFBYGVSA-N 0 0 315.457 3.799 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000246419017 341348314 /nfs/dbraw/zinc/34/83/14/341348314.db2.gz AKTRQONXVCOXOF-QZHFEQFPSA-N 0 0 315.457 3.581 10 0 DHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1ccccc1Br ZINC000246456340 341349501 /nfs/dbraw/zinc/34/95/01/341349501.db2.gz JDXYIVNBXJRALQ-XDTLVQLUSA-N 0 0 308.219 3.672 10 0 DHAERN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)on1 ZINC000140017230 341358971 /nfs/dbraw/zinc/35/89/71/341358971.db2.gz ZQMKPEJCDQVKOQ-AWEZNQCLSA-N 0 0 315.417 3.742 10 0 DHAERN CO[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000247086604 341360867 /nfs/dbraw/zinc/36/08/67/341360867.db2.gz UBWKSMJXKQRLQL-SQNIBIBYSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000247123742 341361227 /nfs/dbraw/zinc/36/12/27/341361227.db2.gz JDRYJLDSIXYZAX-LPWJVIDDSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000247161578 341361693 /nfs/dbraw/zinc/36/16/93/341361693.db2.gz ZLMTYFVXFDIKQQ-CFGMGRTJSA-N 0 0 309.409 3.579 10 0 DHAERN C[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000247494758 341365807 /nfs/dbraw/zinc/36/58/07/341365807.db2.gz WMECMWBLRMXLGO-XQHKEYJVSA-N 0 0 306.372 3.938 10 0 DHAERN CC[C@H](CN(CC)C(=O)N[C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248476610 341378571 /nfs/dbraw/zinc/37/85/71/341378571.db2.gz NVTCYZMVAHLTTG-JFIYKMOQSA-N 0 0 318.461 3.779 10 0 DHAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000248533403 341379204 /nfs/dbraw/zinc/37/92/04/341379204.db2.gz INIODMOOBKENDK-VYDXJSESSA-N 0 0 320.433 3.720 10 0 DHAERN C[N@H+](CCN1CCC[C@@H](C(F)(F)F)C1)Cc1ccc(F)cc1 ZINC000248560105 341379990 /nfs/dbraw/zinc/37/99/90/341379990.db2.gz MKTBMJIMMRCBDD-CQSZACIVSA-N 0 0 318.358 3.532 10 0 DHAERN C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000249323692 341396379 /nfs/dbraw/zinc/39/63/79/341396379.db2.gz RZBCKYFVHLXHCI-FMKPAKJESA-N 0 0 302.418 3.730 10 0 DHAERN CCOCCN(CC)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000153199469 341529597 /nfs/dbraw/zinc/52/95/97/341529597.db2.gz HIVGRJMNCMCVSV-YOEHRIQHSA-N 0 0 304.434 3.693 10 0 DHAERN CCC[C@@H](NC(=O)Nc1ccc(C)s1)C(=O)OC(C)(C)C ZINC000154200014 341586480 /nfs/dbraw/zinc/58/64/80/341586480.db2.gz WIKWHXXJPOEBKA-LLVKDONJSA-N 0 0 312.435 3.688 10 0 DHAERN COc1ccc(F)c(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 ZINC000154517133 341590452 /nfs/dbraw/zinc/59/04/52/341590452.db2.gz ZAAZEAVBNWUZTG-RYUDHWBXSA-N 0 0 321.298 3.855 10 0 DHAERN C[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000154560106 341591469 /nfs/dbraw/zinc/59/14/69/341591469.db2.gz BDBLEMOGSJVHNO-QPUJVOFHSA-N 0 0 321.726 3.656 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1O ZINC000157301110 341635987 /nfs/dbraw/zinc/63/59/87/341635987.db2.gz OUEQOAJLHRNEND-QWHCGFSZSA-N 0 0 303.308 3.721 10 0 DHAERN COCc1ccccc1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000157621197 341642108 /nfs/dbraw/zinc/64/21/08/341642108.db2.gz GJZMSPXHYYLPJX-GOSISDBHSA-N 0 0 313.372 3.780 10 0 DHAERN CCOCCCNC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000158984392 341667040 /nfs/dbraw/zinc/66/70/40/341667040.db2.gz WFWRKCXDCLSBGS-HNNXBMFYSA-N 0 0 322.449 3.508 10 0 DHAERN C/C(=C\c1ccccc1)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000179845248 518444885 /nfs/dbraw/zinc/44/48/85/518444885.db2.gz KMNKUDYESWWJLQ-SHRNQRGKSA-N 0 0 314.454 3.928 10 0 DHAERN CC(C)(C)OC(=O)CCCN1CCCC[C@@H]1c1nccs1 ZINC000181651565 518781223 /nfs/dbraw/zinc/78/12/23/518781223.db2.gz DUHPHRNGWUHSHO-CYBMUJFWSA-N 0 0 310.463 3.792 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000128419993 519743829 /nfs/dbraw/zinc/74/38/29/519743829.db2.gz ZUARFVMZOSFCFC-IRXDYDNUSA-N 0 0 300.402 3.800 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Cc1c[nH]c2cccc(Br)c12 ZINC000128331229 519791901 /nfs/dbraw/zinc/79/19/01/519791901.db2.gz ZOQCXXPJIMUBEI-SNVBAGLBSA-N 0 0 323.234 3.634 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2ccccn2)cc1 ZINC000128229438 519839614 /nfs/dbraw/zinc/83/96/14/519839614.db2.gz QVEHGBLWZVICHD-OALUTQOASA-N 0 0 308.425 3.667 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccn2C(C)C)no1 ZINC000123041445 519868463 /nfs/dbraw/zinc/86/84/63/519868463.db2.gz FVUWXMHMKUNPMK-CYBMUJFWSA-N 0 0 316.405 3.553 10 0 DHAERN CC1(C)CCC[C@@H]1NC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000174975927 520348403 /nfs/dbraw/zinc/34/84/03/520348403.db2.gz BZZBAQYDFQAZKL-OLZOCXBDSA-N 0 0 307.463 3.958 10 0 DHAERN CCCCN(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000155468262 520384196 /nfs/dbraw/zinc/38/41/96/520384196.db2.gz PPXXADPBNLBUCX-ZDUSSCGKSA-N 0 0 302.340 3.602 10 0 DHAERN CC1CCN(c2cccc(NC(=O)[C@H]3CCCO[C@@H]3C)c2)CC1 ZINC000187954876 521046460 /nfs/dbraw/zinc/04/64/60/521046460.db2.gz AIPMXCIODSBGBL-QAPCUYQASA-N 0 0 316.445 3.677 10 0 DHAERN CCOc1ccc(OC)cc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000105043827 521158882 /nfs/dbraw/zinc/15/88/82/521158882.db2.gz KNCMTCQNRRBJRK-GFCCVEGCSA-N 0 0 318.373 3.878 10 0 DHAERN CCCc1ncc(C(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000173511755 521545677 /nfs/dbraw/zinc/54/56/77/521545677.db2.gz PRGYAPQVEMFBPI-LLVKDONJSA-N 0 0 321.471 3.920 10 0 DHAERN CCNC(=O)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182515938 521744680 /nfs/dbraw/zinc/74/46/80/521744680.db2.gz XSKPSBDGLLMVKV-YPMHNXCESA-N 0 0 302.201 3.597 10 0 DHAERN CCc1ccccc1CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000188915955 521828126 /nfs/dbraw/zinc/82/81/26/521828126.db2.gz NFMLWKULIUYKKN-MRXNPFEDSA-N 0 0 302.443 3.587 10 0 DHAERN CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccsc1 ZINC000118628359 521972175 /nfs/dbraw/zinc/97/21/75/521972175.db2.gz REKMUAXKXSFXSF-WFASDCNBSA-N 0 0 316.426 3.531 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)Nc3ccccn3)C2)n1 ZINC000113365218 522116658 /nfs/dbraw/zinc/11/66/58/522116658.db2.gz YGOZKHMKAVNTTI-LBPRGKRZSA-N 0 0 316.430 3.512 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000103383451 522175777 /nfs/dbraw/zinc/17/57/77/522175777.db2.gz CTDHXLSDXHOJQA-HTQZYQBOSA-N 0 0 308.180 3.592 10 0 DHAERN CCc1nc([C@@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)cs1 ZINC000111462733 522413624 /nfs/dbraw/zinc/41/36/24/522413624.db2.gz NNLKSVMDLYQVPM-MNOVXSKESA-N 0 0 307.419 3.728 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190760158 522523400 /nfs/dbraw/zinc/52/34/00/522523400.db2.gz SLRHLTCWMVFKHA-BDAKNGLRSA-N 0 0 318.200 3.756 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(SC)cc2)cs1 ZINC000103360352 522554921 /nfs/dbraw/zinc/55/49/21/522554921.db2.gz PHUNGALGXKWKNT-JTQLQIEISA-N 0 0 322.455 3.753 10 0 DHAERN COCC1=CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000186134905 522920992 /nfs/dbraw/zinc/92/09/92/522920992.db2.gz UTGMXVPHHAAXOD-RTBURBONSA-N 0 0 313.441 3.719 10 0 DHAERN COCC1CCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000153227976 522931828 /nfs/dbraw/zinc/93/18/28/522931828.db2.gz TYYSBRZBGHTEDA-KDOFPFPSSA-N 0 0 316.445 3.693 10 0 DHAERN CCc1oc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1C ZINC000154661759 522974931 /nfs/dbraw/zinc/97/49/31/522974931.db2.gz DMKSNNVBKDNOEV-GFCCVEGCSA-N 0 0 304.415 3.974 10 0 DHAERN CCn1c(C)nnc1CN[C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000181278390 523156852 /nfs/dbraw/zinc/15/68/52/523156852.db2.gz TWSXSKNDEIXLDO-CQSZACIVSA-N 0 0 321.428 3.519 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCO1 ZINC000180454628 523561661 /nfs/dbraw/zinc/56/16/61/523561661.db2.gz GLJCZODCCCJBKV-IIAWOOMASA-N 0 0 317.429 3.610 10 0 DHAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)c1cccnc1 ZINC000178790072 523637241 /nfs/dbraw/zinc/63/72/41/523637241.db2.gz OYBTVQZURVJXFF-KSSFIOAISA-N 0 0 312.413 3.770 10 0 DHAERN CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000174209009 523862793 /nfs/dbraw/zinc/86/27/93/523862793.db2.gz DHOSKONHHYJXBL-GJZGRUSLSA-N 0 0 314.433 3.621 10 0 DHAERN CCc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000159120854 523981153 /nfs/dbraw/zinc/98/11/53/523981153.db2.gz QIJLYCCMYWEJQK-KSSFIOAISA-N 0 0 320.408 3.547 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCc2ccncc2)o1 ZINC000129423870 524034789 /nfs/dbraw/zinc/03/47/89/524034789.db2.gz KAZKBJXSXXGADY-KRWDZBQOSA-N 0 0 312.413 3.923 10 0 DHAERN Cc1cccc(-c2cncc(C(=O)N3CCS[C@@H](C)C3)c2)c1 ZINC000132796856 524113352 /nfs/dbraw/zinc/11/33/52/524113352.db2.gz YMHIAHDOAMAQJM-AWEZNQCLSA-N 0 0 312.438 3.635 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)O1 ZINC000157126344 524328251 /nfs/dbraw/zinc/32/82/51/524328251.db2.gz UJOKFNGZQXGRFW-CABZTGNLSA-N 0 0 303.736 3.506 10 0 DHAERN Cc1cc(C)cc(OCCC(=O)N2CCCc3c(N)cccc32)c1 ZINC000237646265 524441264 /nfs/dbraw/zinc/44/12/64/524441264.db2.gz XGNINYSTEWSXAL-UHFFFAOYSA-N 0 0 324.424 3.634 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H](C)c1cccs1 ZINC000174820195 524580105 /nfs/dbraw/zinc/58/01/05/524580105.db2.gz DLWBMZDYUZNQJE-ZIAGYGMSSA-N 0 0 318.442 3.714 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N(C)C[C@@H]2CCCOC2)c2ccccc21 ZINC000153170374 524691741 /nfs/dbraw/zinc/69/17/41/524691741.db2.gz VLLDGJSQLRGIHW-VKJFTORMSA-N 0 0 316.445 3.693 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000132382724 524737995 /nfs/dbraw/zinc/73/79/95/524737995.db2.gz AYKAJEVEIUUFKP-IUCAKERBSA-N 0 0 321.726 3.608 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183008987 524852286 /nfs/dbraw/zinc/85/22/86/524852286.db2.gz VJNXMHZAEXWBSY-GUYCJALGSA-N 0 0 324.380 3.574 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000188982819 525014932 /nfs/dbraw/zinc/01/49/32/525014932.db2.gz KHMSIBQDCXCBJH-YPMHNXCESA-N 0 0 302.399 3.564 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1csc2ccccc12 ZINC000188743461 525015622 /nfs/dbraw/zinc/01/56/22/525015622.db2.gz LHOSTLMNKSSHSR-TZMCWYRMSA-N 0 0 303.427 3.675 10 0 DHAERN Cc1ccccc1C1CCN(C(=O)[C@@H]2CCCO[C@H]2C)CC1 ZINC000191398305 525090377 /nfs/dbraw/zinc/09/03/77/525090377.db2.gz MIYWWAHGQDEAPZ-MAUKXSAKSA-N 0 0 301.430 3.516 10 0 DHAERN C[C@H](NC(=O)[C@H](C)SCC[C@@H]1CCCO1)c1ccccc1 ZINC000190148771 525163934 /nfs/dbraw/zinc/16/39/34/525163934.db2.gz CBBZNEJFPGATFU-DZKIICNBSA-N 0 0 307.459 3.555 10 0 DHAERN C[C@H](NC(=O)c1c[nH]nc1C1CC1)c1ccc2ccccc2c1 ZINC000184185999 525191443 /nfs/dbraw/zinc/19/14/43/525191443.db2.gz IVZPQMQQAVQHBD-LBPRGKRZSA-N 0 0 305.381 3.931 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000173698310 525327528 /nfs/dbraw/zinc/32/75/28/525327528.db2.gz LTQUPFRVCSQLGA-KDOFPFPSSA-N 0 0 310.397 3.933 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1ccoc1Br ZINC000193306570 525359090 /nfs/dbraw/zinc/35/90/90/525359090.db2.gz ASVOCLRLLRXTQC-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC([C@H]2CCCO2)CC1 ZINC000190438491 525408727 /nfs/dbraw/zinc/40/87/27/525408727.db2.gz AYVSOFUGXVKGHE-MAUKXSAKSA-N 0 0 316.445 3.657 10 0 DHAERN Cc1c(Br)cccc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191049680 525529242 /nfs/dbraw/zinc/52/92/42/525529242.db2.gz TXGGKGLITGVMEF-WDEREUQCSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000190383148 525555318 /nfs/dbraw/zinc/55/53/18/525555318.db2.gz ZFMLRZVLQDGEOT-GUYCJALGSA-N 0 0 321.848 3.861 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000187984796 525557175 /nfs/dbraw/zinc/55/71/75/525557175.db2.gz LPVCHOXDRBGEBC-KSSFIOAISA-N 0 0 317.429 3.899 10 0 DHAERN C[C@H](N[C@H]1CCCn2ncnc21)c1ccc(OC(C)(C)C)cc1 ZINC000157225364 525617674 /nfs/dbraw/zinc/61/76/74/525617674.db2.gz MUYXZSPDBCSNOC-BBRMVZONSA-N 0 0 314.433 3.641 10 0 DHAERN Cc1ccc(-c2ccc(OCC3N=NC(=S)N3C)cc2)cc1 ZINC000026469161 525754692 /nfs/dbraw/zinc/75/46/92/525754692.db2.gz SQYHEJJFTMOYER-UHFFFAOYSA-N 0 0 311.410 3.658 10 0 DHAERN Cc1ccc([C@@H]2CCCCCN2Cc2nnc(C(C)C)n2C)o1 ZINC000158625435 525798162 /nfs/dbraw/zinc/79/81/62/525798162.db2.gz ZDWXLBKDIXLMRX-HNNXBMFYSA-N 0 0 316.449 3.957 10 0 DHAERN COc1cccc(C(=O)N2CCCC[C@@H]2c2nccs2)c1F ZINC000132012749 525798298 /nfs/dbraw/zinc/79/82/98/525798298.db2.gz NDNZZXAKGFQPIJ-GFCCVEGCSA-N 0 0 320.389 3.658 10 0 DHAERN CS[C@@H]1CCCCN(c2nn3cc(C(C)(C)C)nc3s2)C1 ZINC000154629011 525825816 /nfs/dbraw/zinc/82/58/16/525825816.db2.gz FBHJYWBPHXYDRI-LLVKDONJSA-N 0 0 324.519 3.810 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2c2cccc(C)n2)o1 ZINC000161998292 525895625 /nfs/dbraw/zinc/89/56/25/525895625.db2.gz VXPBCGKCMGCCLK-GOEBONIOSA-N 0 0 313.401 3.899 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCc2nc(C(C)C)cs2)o1 ZINC000129997772 525901281 /nfs/dbraw/zinc/90/12/81/525901281.db2.gz CQMHOVDPKDKKEZ-NSHDSACASA-N 0 0 307.419 3.728 10 0 DHAERN CSc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)ccn1 ZINC000115364091 525926070 /nfs/dbraw/zinc/92/60/70/525926070.db2.gz BIHMLOUITONPMB-GFCCVEGCSA-N 0 0 319.455 3.627 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc([C@@H](C)OCC(C)C)no2)o1 ZINC000182578861 525930030 /nfs/dbraw/zinc/93/00/30/525930030.db2.gz PBIFKIGXKLNVEV-QWHCGFSZSA-N 0 0 307.394 3.555 10 0 DHAERN C[C@H](c1ccco1)N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246045905 526141847 /nfs/dbraw/zinc/14/18/47/526141847.db2.gz UBGBDNDYLWWLJG-KGYLQXTDSA-N 0 0 305.324 3.881 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)C2 ZINC000181909170 526183847 /nfs/dbraw/zinc/18/38/47/526183847.db2.gz RBVJSXHEVQNOFD-LRDDRELGSA-N 0 0 315.442 3.526 10 0 DHAERN Cc1ccc2cccc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)c2n1 ZINC000133632435 526233908 /nfs/dbraw/zinc/23/39/08/526233908.db2.gz YPINOXJMCHYICW-QGZVFWFLSA-N 0 0 320.396 3.634 10 0 DHAERN Cc1csc(-c2ccc(NC(=O)[C@H]3CCCO[C@H]3C)cc2)n1 ZINC000190980697 526302755 /nfs/dbraw/zinc/30/27/55/526302755.db2.gz IACMTHPOPOUZPC-WFASDCNBSA-N 0 0 316.426 3.872 10 0 DHAERN O=C(CCC(F)(F)F)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000129036264 526392355 /nfs/dbraw/zinc/39/23/55/526392355.db2.gz LZNMPPDLDYKXRI-JTQLQIEISA-N 0 0 313.241 3.619 10 0 DHAERN Cc1csc([C@@H]2CN(C/C=C/c3ccccc3)CCO2)n1 ZINC000157776428 526423558 /nfs/dbraw/zinc/42/35/58/526423558.db2.gz WHHUOSFVFWRJSA-WHWKNOJMSA-N 0 0 300.427 3.538 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2C[C@H]2c2ccco2)n1 ZINC000299739318 526741216 /nfs/dbraw/zinc/74/12/16/526741216.db2.gz NGOFLATUCIXPTA-SFTQSGBHSA-N 0 0 302.374 3.852 10 0 DHAERN O=C(NCc1cccs1)N1CCCC[C@H]1c1nccs1 ZINC000176365684 526782752 /nfs/dbraw/zinc/78/27/52/526782752.db2.gz DDQYAZSNQOZFJP-LBPRGKRZSA-N 0 0 307.444 3.641 10 0 DHAERN Cc1nc(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1 ZINC000163606569 526793243 /nfs/dbraw/zinc/79/32/43/526793243.db2.gz DPCTUJQAXMPVLK-QWRGUYRKSA-N 0 0 320.380 3.540 10 0 DHAERN Cc1nc(CN(C)Cc2noc(C3CCCCC3)n2)cs1 ZINC000156379753 526842469 /nfs/dbraw/zinc/84/24/69/526842469.db2.gz IOZOMUNUVMHSOI-UHFFFAOYSA-N 0 0 306.435 3.514 10 0 DHAERN O=C(c1cncc(-c2ccccc2)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000122030854 526879023 /nfs/dbraw/zinc/87/90/23/526879023.db2.gz GVAYQZZHIRYPII-MOPGFXCFSA-N 0 0 322.408 3.532 10 0 DHAERN Cn1c(CSCc2ccc(F)c(Cl)c2)nnc1C1CC1 ZINC000190057539 527066167 /nfs/dbraw/zinc/06/61/67/527066167.db2.gz AKUMRZQDPXNMEQ-UHFFFAOYSA-N 0 0 311.813 3.918 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1scnc1C1CCCC1 ZINC000184458426 527076356 /nfs/dbraw/zinc/07/63/56/527076356.db2.gz HEYXVFMUMWVQET-ZDUSSCGKSA-N 0 0 314.410 3.664 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187639 527188278 /nfs/dbraw/zinc/18/82/78/527188278.db2.gz DNFGYPYSEYULFS-JKSUJKDBSA-N 0 0 316.836 3.816 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2NC(c1ccccc1)c1ccccc1 ZINC000180933175 527190846 /nfs/dbraw/zinc/19/08/46/527190846.db2.gz HOLPKWFXVGJGMF-GOSISDBHSA-N 0 0 318.424 3.801 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)CCc1ccc(Cl)s1 ZINC000237868268 527522503 /nfs/dbraw/zinc/52/25/03/527522503.db2.gz FFZPSMWTRRJJCW-UHFFFAOYSA-N 0 0 320.845 3.896 10 0 DHAERN O=C(NCC1CC1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000158092683 527594861 /nfs/dbraw/zinc/59/48/61/527594861.db2.gz ZLZNVTRBMDJHKF-OAHLLOKOSA-N 0 0 300.402 3.532 10 0 DHAERN Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000113014687 527690606 /nfs/dbraw/zinc/69/06/06/527690606.db2.gz CFKBPSABLCFJCU-MRVPVSSYSA-N 0 0 312.200 3.526 10 0 DHAERN CCc1cc(Nc2ccc(Cl)c(C[S@](C)=O)c2)nc(C)n1 ZINC000272834657 536153939 /nfs/dbraw/zinc/15/39/39/536153939.db2.gz HJWDWRLMAHENEK-NRFANRHFSA-N 0 0 323.849 3.623 10 0 DHAERN COc1ccc([C@H](C)NC(=O)c2cccc(C)c2F)cc1OC ZINC000120480925 536898020 /nfs/dbraw/zinc/89/80/20/536898020.db2.gz FOILNHWCDRMQOO-LBPRGKRZSA-N 0 0 317.360 3.642 10 0 DHAERN CCOC(=O)c1sc(Br)cc1[C@H]1CCSC1 ZINC000675058225 563910262 /nfs/dbraw/zinc/91/02/62/563910262.db2.gz XHMHLZQNNQADME-ZETCQYMHSA-N 0 0 321.261 3.908 10 0 DHAERN COCCN(Cc1ccc(C)cc1)Cc1ccnc(C(C)C)n1 ZINC000055404833 563475362 /nfs/dbraw/zinc/47/53/62/563475362.db2.gz DZROBDDUIYBGAF-UHFFFAOYSA-N 0 0 313.445 3.557 10 0 DHAERN FC(F)(F)[C@H](Cc1ccncc1)Nc1ccc2c(c1)COC2 ZINC000097231647 563514448 /nfs/dbraw/zinc/51/44/48/563514448.db2.gz WZVWMVDRTGQNEP-HNNXBMFYSA-N 0 0 308.303 3.697 10 0 DHAERN CCc1cc(Br)cc2c(Cl)c(C)c(=O)n(C)c12 ZINC000725259244 563565333 /nfs/dbraw/zinc/56/53/33/563565333.db2.gz CPVJJZFUMYFFKF-UHFFFAOYSA-N 0 0 314.610 3.825 10 0 DHAERN NNc1cc2c(Br)cccc2nc1C1CCCC1 ZINC000725268324 563573919 /nfs/dbraw/zinc/57/39/19/563573919.db2.gz MKSRFISLCRPZPU-UHFFFAOYSA-N 0 0 306.207 3.941 10 0 DHAERN CC(C)(C)OC(=O)N1CC(c2ccc(OC(F)(F)F)cc2)C1 ZINC000396132690 563576706 /nfs/dbraw/zinc/57/67/06/563576706.db2.gz LLSOZIRHGZIWJL-UHFFFAOYSA-N 0 0 317.307 3.920 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1 ZINC000226265749 563913293 /nfs/dbraw/zinc/91/32/93/563913293.db2.gz LCGBKGRZRXUNHJ-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCC(C)CC1 ZINC000226275617 563913547 /nfs/dbraw/zinc/91/35/47/563913547.db2.gz RGPLLHCFWIZWOS-UHFFFAOYSA-N 0 0 300.324 3.732 10 0 DHAERN COc1cc(CO)cc(CSC)c1OCc1ccc(C)cc1 ZINC000226288384 563913743 /nfs/dbraw/zinc/91/37/43/563913743.db2.gz FTQAHDUUSGNRFV-UHFFFAOYSA-N 0 0 318.438 3.938 10 0 DHAERN CCCC(=O)Nc1ccc(N(C)C(=O)C(F)(F)F)cc1Cl ZINC000226285948 563913777 /nfs/dbraw/zinc/91/37/77/563913777.db2.gz JPILZOAMXDHBMT-UHFFFAOYSA-N 0 0 322.714 3.604 10 0 DHAERN CCCCN(C(=O)c1ccc(F)cc1)C1=C[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000003148514 563920770 /nfs/dbraw/zinc/92/07/70/563920770.db2.gz FPNVTFWFUHBNPU-DLBZAZTESA-N 0 0 316.420 3.818 10 0 DHAERN CC(=O)Nc1ccc(Nc2nnc(NC3CCCCC3)o2)cc1 ZINC000048554664 563924102 /nfs/dbraw/zinc/92/41/02/563924102.db2.gz XFVTVDNQTBUSSJ-UHFFFAOYSA-N 0 0 315.377 3.516 10 0 DHAERN CC(C)(C)OC(=O)NC[C@H](CO)Cc1cccc2ccccc21 ZINC000232503219 563961888 /nfs/dbraw/zinc/96/18/88/563961888.db2.gz IJASIYDVQWPGJK-CQSZACIVSA-N 0 0 315.413 3.516 10 0 DHAERN COc1ccc(C(=O)[O-])cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC000383680393 971887568 /nfs/dbraw/zinc/88/75/68/971887568.db2.gz WMSPCWQSNNCGSH-UHFFFAOYSA-N 0 0 311.381 3.558 10 0 DHAERN O=C([O-])[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000222444155 959816125 /nfs/dbraw/zinc/81/61/25/959816125.db2.gz LYPGZSDALZSLKO-JHJVBQTASA-N 0 0 301.308 3.523 10 0 DHAERN O=C([O-])c1occc1C[NH2+]CCc1ccc(Cl)cc1Cl ZINC000232435265 960269791 /nfs/dbraw/zinc/26/97/91/960269791.db2.gz KALRVWPKNQSHFE-UHFFFAOYSA-N 0 0 314.168 3.617 10 0 DHAERN CSC1(C[NH2+][C@@H](C)c2ncc(C(=O)[O-])s2)CCCCC1 ZINC000314632187 963780862 /nfs/dbraw/zinc/78/08/62/963780862.db2.gz JBUGCVFTWRIGHN-JTQLQIEISA-N 0 0 314.476 3.558 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000076033807 1013849763 /nfs/dbraw/zinc/84/97/63/1013849763.db2.gz IAXYKARGDRPASN-AAEUAGOBSA-N 0 0 302.374 3.648 10 0 DHAERN C[C@H](NC(=O)NC[C@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000056419963 1014263179 /nfs/dbraw/zinc/26/31/79/1014263179.db2.gz JWMBJJALTNIKJI-LSDHHAIUSA-N 0 0 318.461 3.771 10 0 DHAERN Cc1ccc(CC(=O)N2CC=C(c3cccs3)CC2)cc1O ZINC000089452589 1032343568 /nfs/dbraw/zinc/34/35/68/1032343568.db2.gz LCKYLXXUZSQXBF-UHFFFAOYSA-N 0 0 313.422 3.621 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccs1 ZINC000062093901 1025936241 /nfs/dbraw/zinc/93/62/41/1025936241.db2.gz UDORRQZPGUMODE-UHFFFAOYSA-N 0 0 312.394 3.684 10 0 DHAERN O=C(c1nccc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000067047075 1030520789 /nfs/dbraw/zinc/52/07/89/1030520789.db2.gz NGFOEOJVASABGJ-CQSZACIVSA-N 0 0 323.421 3.711 10 0 DHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1nccs1 ZINC000074908249 1030627547 /nfs/dbraw/zinc/62/75/47/1030627547.db2.gz BBKJZHYNZDIUHS-HNNXBMFYSA-N 0 0 311.410 3.531 10 0 DHAERN CCO[C@H](C)c1noc(CN2CC=C(c3cccs3)CC2)n1 ZINC000076731732 1030816394 /nfs/dbraw/zinc/81/63/94/1030816394.db2.gz INCBOPZFUPJGKG-GFCCVEGCSA-N 0 0 319.430 3.518 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000078186832 1030920864 /nfs/dbraw/zinc/92/08/64/1030920864.db2.gz HWYKGLATIAHUCI-CJNGLKHVSA-N 0 0 313.372 3.853 10 0 DHAERN CC(C)C[C@@H](NC(=O)[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000080534512 1031395119 /nfs/dbraw/zinc/39/51/19/1031395119.db2.gz JXJIRMYZDNODIO-IAGOWNOFSA-N 0 0 311.429 3.664 10 0 DHAERN O=C(Nc1ccccc1)N1CCC(Nc2ccccc2F)CC1 ZINC000080581815 1031403085 /nfs/dbraw/zinc/40/30/85/1031403085.db2.gz QPWANRNXWPMINK-UHFFFAOYSA-N 0 0 313.376 3.934 10 0 DHAERN Brc1ccc2c(c1)N(Cc1ccccc1)CCN2 ZINC000076970052 185062553 /nfs/dbraw/zinc/06/25/53/185062553.db2.gz FCVPPBHPINQVJS-UHFFFAOYSA-N 0 0 303.203 3.881 10 0 DHAERN Fc1ccc(CNc2cc(C(F)(F)F)nc(Cl)n2)cc1 ZINC000082501790 185187308 /nfs/dbraw/zinc/18/73/08/185187308.db2.gz IXDNHMRNWIPFIR-UHFFFAOYSA-N 0 0 305.662 3.900 10 0 DHAERN COc1cc(C(=O)C2CCCC2)c(OC)cc1Br ZINC000083255854 185221576 /nfs/dbraw/zinc/22/15/76/185221576.db2.gz YNSTYHDEFKUJCS-UHFFFAOYSA-N 0 0 313.191 3.839 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(Cl)cc1 ZINC000088559933 185257998 /nfs/dbraw/zinc/25/79/98/185257998.db2.gz PHIPLCSUYCYSCL-SMDDNHRTSA-N 0 0 304.825 3.680 10 0 DHAERN CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224906 185287495 /nfs/dbraw/zinc/28/74/95/185287495.db2.gz SAUILYNAKMISNS-GJZGRUSLSA-N 0 0 304.825 3.816 10 0 DHAERN Cc1ccc(I)c(O[C@H]2CCCCO2)c1 ZINC000090377495 185293392 /nfs/dbraw/zinc/29/33/92/185293392.db2.gz IBVCSHGPVKVQBS-LBPRGKRZSA-N 0 0 318.154 3.505 10 0 DHAERN Cc1cc2nc(C)c(-c3ccc(Cl)c(Cl)c3)c(N)n2n1 ZINC000090411582 185295147 /nfs/dbraw/zinc/29/51/47/185295147.db2.gz RZXPKBFNTQFNQB-UHFFFAOYSA-N 0 0 307.184 3.902 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813880 185343308 /nfs/dbraw/zinc/34/33/08/185343308.db2.gz MQAKYHSSHSAAMP-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN Cc1cc(NC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000080063421 334945332 /nfs/dbraw/zinc/94/53/32/334945332.db2.gz KELGYYKUNVJVOK-ZDUSSCGKSA-N 0 0 314.433 3.909 10 0 DHAERN CN(C)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N ZINC000226267070 201770895 /nfs/dbraw/zinc/77/08/95/201770895.db2.gz CVUODXUEALLIAW-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)C(C)C ZINC000226287472 201772468 /nfs/dbraw/zinc/77/24/68/201772468.db2.gz DUFZTCBEGLXQFW-UHFFFAOYSA-N 0 0 308.381 3.750 10 0 DHAERN Clc1cc2nnc(Cc3ccc(Cl)c(Cl)c3)n2cn1 ZINC000070579411 190907539 /nfs/dbraw/zinc/90/75/39/190907539.db2.gz ULEVMJWPEFMNAX-UHFFFAOYSA-N 0 0 313.575 3.675 10 0 DHAERN Brc1nc(OC2CCC2)sc1Br ZINC000072192969 191073020 /nfs/dbraw/zinc/07/30/20/191073020.db2.gz SHSJNYMAYDRLMO-UHFFFAOYSA-N 0 0 313.014 3.599 10 0 DHAERN CCOC(=O)c1cnc2cc(OCC)ccc2c1N(CC)CC ZINC000072237163 191081149 /nfs/dbraw/zinc/08/11/49/191081149.db2.gz MUQZFPGWAIICRH-UHFFFAOYSA-N 0 0 316.401 3.656 10 0 DHAERN Clc1ccccc1-c1ccnc2nc(-c3cccnc3)nn21 ZINC000072451368 191170000 /nfs/dbraw/zinc/17/00/00/191170000.db2.gz NHXHQVVJCDBEPX-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN Cc1ccc(-c2nc3nccc(-c4ccc(F)cc4)n3n2)cc1 ZINC000072451534 191172041 /nfs/dbraw/zinc/17/20/41/191172041.db2.gz AAXZZBAIKHNWPZ-UHFFFAOYSA-N 0 0 304.328 3.906 10 0 DHAERN CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)CSC2 ZINC000000190319 180720398 /nfs/dbraw/zinc/72/03/98/180720398.db2.gz ORBPOVMWSSOGJU-UHFFFAOYSA-N 0 0 301.415 3.666 10 0 DHAERN CCC1CCC(NC(=O)Nc2cccc(N(C)C(C)=O)c2)CC1 ZINC000072596174 191199257 /nfs/dbraw/zinc/19/92/57/191199257.db2.gz OGYQJHLXUZLNDY-UHFFFAOYSA-N 0 0 317.433 3.760 10 0 DHAERN CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000073032728 191270185 /nfs/dbraw/zinc/27/01/85/191270185.db2.gz QFNFDZURLMPDPP-KBPBESRZSA-N 0 0 324.852 3.859 10 0 DHAERN CCOC(=O)C=C(C)Nc1cc2c(C)c(C)n(C)c2cc1C ZINC000003626432 181042138 /nfs/dbraw/zinc/04/21/38/181042138.db2.gz PZVCHOPVHFVHCL-FMIVXFBMSA-N 0 0 300.402 3.982 10 0 DHAERN Nc1cccc2c(Nc3cccc(Br)c3)ncnc12 ZINC000003815343 181046860 /nfs/dbraw/zinc/04/68/60/181046860.db2.gz WQZUDZYVETUDRB-UHFFFAOYSA-N 0 0 315.174 3.718 10 0 DHAERN Fc1cc2c(cn1)ncnc2Nc1cccc(Br)c1 ZINC000003815282 181047412 /nfs/dbraw/zinc/04/74/12/181047412.db2.gz KRRHOFYUUHSVEQ-UHFFFAOYSA-N 0 0 319.137 3.670 10 0 DHAERN CC(=O)c1ccc(C(=O)Nc2nc3c(cccc3F)s2)cc1 ZINC000004331547 181098546 /nfs/dbraw/zinc/09/85/46/181098546.db2.gz PJSONDRZWILUPE-UHFFFAOYSA-N 0 0 314.341 3.890 10 0 DHAERN Cc1occc1-c1nnc2sc(Cc3ccc(C)c(C)c3)nn21 ZINC000004938953 181175745 /nfs/dbraw/zinc/17/57/45/181175745.db2.gz BFJJHQJTGRSOER-UHFFFAOYSA-N 0 0 324.409 3.962 10 0 DHAERN CC(C)(C)NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 ZINC000004992433 181186635 /nfs/dbraw/zinc/18/66/35/181186635.db2.gz NQLZZBKRQQYVHO-UHFFFAOYSA-N 0 0 314.429 3.503 10 0 DHAERN C[C@H]1N(C)c2cc3c(cc2C1(C)C)c(C(F)(F)F)cc(=O)n3C ZINC000005141582 181208950 /nfs/dbraw/zinc/20/89/50/181208950.db2.gz IOUKYANHUBKAIN-SECBINFHSA-N 0 0 324.346 3.673 10 0 DHAERN Cc1sc(Cn2nnc3ccccc32)nc1-c1ccccc1 ZINC000005378409 181236491 /nfs/dbraw/zinc/23/64/91/181236491.db2.gz DWWGSXADEXRYBK-UHFFFAOYSA-N 0 0 306.394 3.912 10 0 DHAERN C[C@@H]1CCc2c(sc3ncn4c(nnc4C(C)(C)C)c23)C1 ZINC000005414498 181240558 /nfs/dbraw/zinc/24/05/58/181240558.db2.gz MOFKMSIBLYVOQO-SECBINFHSA-N 0 0 300.431 3.761 10 0 DHAERN CCC[C@](CC)(c1cnc(N)c(C)c1)n1nnc2ccccc21 ZINC000005311187 181228553 /nfs/dbraw/zinc/22/85/53/181228553.db2.gz HFYJGDASCZAWLT-GOSISDBHSA-N 0 0 309.417 3.671 10 0 DHAERN Cc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000005440770 181243728 /nfs/dbraw/zinc/24/37/28/181243728.db2.gz UWUPFMYTPOTOOT-UHFFFAOYSA-N 0 0 308.381 3.683 10 0 DHAERN O=C(Cc1ccc(-c2ccccc2)cc1)n1nnc2ccccc21 ZINC000005491067 181249007 /nfs/dbraw/zinc/24/90/07/181249007.db2.gz WDKJDRXTJOLGCQ-UHFFFAOYSA-N 0 0 313.360 3.981 10 0 DHAERN COC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000005526242 181253312 /nfs/dbraw/zinc/25/33/12/181253312.db2.gz AKBFMPQSKLPOAX-UHFFFAOYSA-N 0 0 313.176 3.751 10 0 DHAERN CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1OC ZINC000005654088 181268190 /nfs/dbraw/zinc/26/81/90/181268190.db2.gz RJCWEQLUZMPAIH-SPBMYTGYSA-N 0 0 317.429 3.802 10 0 DHAERN NC(=O)c1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000081271991 192242585 /nfs/dbraw/zinc/24/25/85/192242585.db2.gz AKMRPJWPCGMYDM-RYUDHWBXSA-N 0 0 320.820 3.594 10 0 DHAERN CCCc1nc(C)c(C(=O)N2CCCc3c(N)cccc32)s1 ZINC000236973732 202102878 /nfs/dbraw/zinc/10/28/78/202102878.db2.gz VYMIQCJANDAALJ-UHFFFAOYSA-N 0 0 315.442 3.579 10 0 DHAERN O=C(Nc1ccnc2n[nH]cc21)c1ccccc1-c1ccccc1 ZINC000089224797 192745332 /nfs/dbraw/zinc/74/53/32/192745332.db2.gz SULSLCJKIUDVMG-UHFFFAOYSA-N 0 0 314.348 3.877 10 0 DHAERN CCc1onc(C)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000089400565 192781503 /nfs/dbraw/zinc/78/15/03/192781503.db2.gz ZHUDYYRYRFOYPZ-QWRGUYRKSA-N 0 0 306.312 3.566 10 0 DHAERN CCc1ccccc1-c1nnc(-c2cc(OC)cc(OC)c2)[nH]1 ZINC000005956789 181300840 /nfs/dbraw/zinc/30/08/40/181300840.db2.gz WQJWIILPYSOIOD-UHFFFAOYSA-N 0 0 309.369 3.718 10 0 DHAERN CS(=O)(=O)c1cccnc1Oc1ccc(Cl)c(Cl)c1 ZINC000006303226 181327663 /nfs/dbraw/zinc/32/76/63/181327663.db2.gz DGDSAHAIUIVAPS-UHFFFAOYSA-N 0 0 318.181 3.584 10 0 DHAERN CN(C)C(=O)CC1(CC(=O)Nc2ccc(Cl)cc2)CCCC1 ZINC000006711668 181375864 /nfs/dbraw/zinc/37/58/64/181375864.db2.gz UIPVJNJSWHPDLC-UHFFFAOYSA-N 0 0 322.836 3.707 10 0 DHAERN CCOc1ccc(Nc2nn3c(C)nnc3c3ccccc32)cc1 ZINC000006793656 181390433 /nfs/dbraw/zinc/39/04/33/181390433.db2.gz SRFREIYQLUXQAX-UHFFFAOYSA-N 0 0 319.368 3.728 10 0 DHAERN CCOc1c(C(N)=O)ccc(Br)c1-c1ccccc1 ZINC000091352860 193046237 /nfs/dbraw/zinc/04/62/37/193046237.db2.gz NTBPBAKJVPWHTN-UHFFFAOYSA-N 0 0 320.186 3.614 10 0 DHAERN Clc1ccc(-c2nc3cc(Br)ccn3n2)cc1 ZINC000258128277 203070905 /nfs/dbraw/zinc/07/09/05/203070905.db2.gz ZOLZYZKXGNLWDV-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN CCOc1cc(CN2CCCC[C@H]2c2cn[nH]c2)ccc1OC ZINC000093438154 193251602 /nfs/dbraw/zinc/25/16/02/193251602.db2.gz NRIADAWNGRAYJO-INIZCTEOSA-N 0 0 315.417 3.544 10 0 DHAERN CSc1nnc(SCC(=O)c2ccccc2Cl)s1 ZINC000095080846 193418454 /nfs/dbraw/zinc/41/84/54/193418454.db2.gz AGGCVPVWCBIYCO-UHFFFAOYSA-N 0 0 316.860 3.888 10 0 DHAERN C[C@H](OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccc[nH]1 ZINC000095089359 193421068 /nfs/dbraw/zinc/42/10/68/193421068.db2.gz DJVWMFXTELCNAI-KBPBESRZSA-N 0 0 308.422 3.739 10 0 DHAERN C[C@@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccc[nH]1 ZINC000095089336 193421070 /nfs/dbraw/zinc/42/10/70/193421070.db2.gz CXANDWQUVWKQMG-ZIAGYGMSSA-N 0 0 308.422 3.882 10 0 DHAERN CSc1ccc(-n2c(=O)c3ccccc3[nH]c2=S)cc1 ZINC000008280377 181543592 /nfs/dbraw/zinc/54/35/92/181543592.db2.gz DGDDYFKFQJWHCP-UHFFFAOYSA-N 0 0 300.408 3.770 10 0 DHAERN Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)C3CC3)nc21 ZINC000010887997 181680668 /nfs/dbraw/zinc/68/06/68/181680668.db2.gz GQPYPLIQMNEHIU-ZDUSSCGKSA-N 0 0 316.426 3.527 10 0 DHAERN CCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000013456781 181852115 /nfs/dbraw/zinc/85/21/15/181852115.db2.gz HJDDGIHDLYAQAR-UHFFFAOYSA-N 0 0 316.397 3.896 10 0 DHAERN Cc1cc(NC(=O)c2cccc(Br)c2)n(C(C)C)n1 ZINC000013656866 181875161 /nfs/dbraw/zinc/87/51/61/181875161.db2.gz PUMKOTUERMCHDF-UHFFFAOYSA-N 0 0 322.206 3.787 10 0 DHAERN CCc1cccc(C)c1NC(=S)NC(=O)Cc1ccccc1 ZINC000014001496 181919273 /nfs/dbraw/zinc/91/92/73/181919273.db2.gz FDUNEZADDIHLDQ-UHFFFAOYSA-N 0 0 312.438 3.613 10 0 DHAERN Cc1ccc(SCCn2cnc3nc[nH]c3c2=S)cc1 ZINC000017303473 182082235 /nfs/dbraw/zinc/08/22/35/182082235.db2.gz NJIOCLZFDMNADQ-UHFFFAOYSA-N 0 0 302.428 3.590 10 0 DHAERN Cc1ccc(C)c(OCC(=O)Nc2cc(Cl)ccc2N)c1 ZINC000019232634 182110405 /nfs/dbraw/zinc/11/04/05/182110405.db2.gz NPHPWVORPKKIPY-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN COc1ccc(N)cc1OCc1ccc(Br)cc1 ZINC000019430117 182123172 /nfs/dbraw/zinc/12/31/72/182123172.db2.gz WFIJFPSUEDETEB-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN Cc1ccc(Cn2ncc3cc(Br)cnc32)cc1 ZINC000019502706 182126905 /nfs/dbraw/zinc/12/69/05/182126905.db2.gz AMZNRPXILGDJPO-UHFFFAOYSA-N 0 0 302.175 3.551 10 0 DHAERN Cc1nn(-c2ccccc2C)c2ncc(Br)cc12 ZINC000019486694 182124861 /nfs/dbraw/zinc/12/48/61/182124861.db2.gz DCDZUHSMLVBLHR-UHFFFAOYSA-N 0 0 302.175 3.800 10 0 DHAERN Nc1ccc(NC(=O)CSc2ccc(F)cc2)c(Cl)c1 ZINC000020012447 182178025 /nfs/dbraw/zinc/17/80/25/182178025.db2.gz MSRUPDNIPKSQLF-UHFFFAOYSA-N 0 0 310.781 3.792 10 0 DHAERN NC(=S)c1ccccc1Nc1ccc(Br)cc1 ZINC000020076881 182185524 /nfs/dbraw/zinc/18/55/24/182185524.db2.gz JLJNBSIAHBDHNY-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN CN(C(=O)c1ccc(F)cc1Br)c1ccc(O)cc1 ZINC000020210678 182197571 /nfs/dbraw/zinc/19/75/71/182197571.db2.gz LAZFXZGPZYYVJF-UHFFFAOYSA-N 0 0 324.149 3.570 10 0 DHAERN C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 ZINC000020307819 182205161 /nfs/dbraw/zinc/20/51/61/182205161.db2.gz OXJRTQBQNLACER-VIFPVBQESA-N 0 0 301.217 3.853 10 0 DHAERN CC(C)NC(=O)[C@@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420190 182216081 /nfs/dbraw/zinc/21/60/81/182216081.db2.gz VNEWJJJMEJDRSK-SSDOTTSWSA-N 0 0 309.624 3.972 10 0 DHAERN CCOc1cccc(C(=O)Nc2cccc(OC(=O)CC)c2)c1 ZINC000021025949 182261173 /nfs/dbraw/zinc/26/11/73/182261173.db2.gz CJKZISHHBGDYBP-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN COC(=O)[C@H](C)Oc1ccc(Cc2ccc(Cl)cc2)cc1 ZINC000033866044 182724733 /nfs/dbraw/zinc/72/47/33/182724733.db2.gz SCBQFPQJMKFGCE-LBPRGKRZSA-N 0 0 304.773 3.871 10 0 DHAERN O=C(C1CC1)N(Cc1cc(-c2ccccc2)on1)Cc1ccco1 ZINC000036004532 182791481 /nfs/dbraw/zinc/79/14/81/182791481.db2.gz TYYLJUTVKKKZAN-UHFFFAOYSA-N 0 0 322.364 3.873 10 0 DHAERN Cn1nc(C2CCC2)c(-c2cccc(Br)c2)c1N ZINC000036765932 182841886 /nfs/dbraw/zinc/84/18/86/182841886.db2.gz GKERWCRWLQFASZ-UHFFFAOYSA-N 0 0 306.207 3.699 10 0 DHAERN Cc1cccc(N)c1NC(=O)c1ccc(Br)cc1C ZINC000036829271 182846161 /nfs/dbraw/zinc/84/61/61/182846161.db2.gz DJWJNKCTPHMMPZ-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Nc1onc(C(F)(F)F)c1-c1ccc(Br)cc1 ZINC000036936639 182853820 /nfs/dbraw/zinc/85/38/20/182853820.db2.gz YUDSUJKEJGMMQR-UHFFFAOYSA-N 0 0 307.069 3.705 10 0 DHAERN CC[C@@H](C)[C@@H](C)Nc1cc(NS(C)(=O)=O)ccc1Cl ZINC000037029325 182862852 /nfs/dbraw/zinc/86/28/52/182862852.db2.gz SLFRYZCIZJOFKH-NXEZZACHSA-N 0 0 304.843 3.558 10 0 DHAERN CN(Cc1cccc(Cl)c1)C(=O)c1ccc2c(c1)CCN2 ZINC000037799119 182927425 /nfs/dbraw/zinc/92/74/25/182927425.db2.gz MPRUJICYUYTEBU-UHFFFAOYSA-N 0 0 300.789 3.580 10 0 DHAERN COC(=O)[C@@](C)(NC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037970020 182944826 /nfs/dbraw/zinc/94/48/26/182944826.db2.gz IIAPTASTOOENCN-HNNXBMFYSA-N 0 0 316.228 3.914 10 0 DHAERN CCOC(=O)[C@](CC)(NCC(F)(F)F)c1ccc(Cl)cc1 ZINC000037973679 182946262 /nfs/dbraw/zinc/94/62/62/182946262.db2.gz GZZYHEAGJHQLNJ-CYBMUJFWSA-N 0 0 323.742 3.660 10 0 DHAERN CCOC(=O)[C@@]1(NCC(F)(F)F)C[C@@H](C)CC[C@@H]1C(C)C ZINC000037973715 182946414 /nfs/dbraw/zinc/94/64/14/182946414.db2.gz YBAALCFDYUNDFW-OUCADQQQSA-N 0 0 309.372 3.532 10 0 DHAERN CCOC(=O)C1(NCC(F)(F)F)CCC(C(C)(C)C)CC1 ZINC000037973741 182946552 /nfs/dbraw/zinc/94/65/52/182946552.db2.gz YCQNEGFBRBZMBI-UHFFFAOYSA-N 0 0 309.372 3.677 10 0 DHAERN CCOC(=O)c1c(C)onc1-c1ccccc1Br ZINC000039119861 183013936 /nfs/dbraw/zinc/01/39/36/183013936.db2.gz SRLYCHULXLHBFA-UHFFFAOYSA-N 0 0 310.147 3.589 10 0 DHAERN CCN(CC)c1oc(C(=O)OC)c2cc(Cl)nc(Cl)c21 ZINC000039127512 183014035 /nfs/dbraw/zinc/01/40/35/183014035.db2.gz IPDGFQSFGMPUBK-UHFFFAOYSA-N 0 0 317.172 3.767 10 0 DHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)OC(C)C)cc1 ZINC000040249380 183049353 /nfs/dbraw/zinc/04/93/53/183049353.db2.gz MGTHJBJEOLYRHQ-UHFFFAOYSA-N 0 0 308.381 3.963 10 0 DHAERN CC(C)Cn1c2ccccc2nc1[C@@H](C)NC(=O)c1cccnc1 ZINC000040180591 183044632 /nfs/dbraw/zinc/04/46/32/183044632.db2.gz FYVPMACPPXVNKW-CQSZACIVSA-N 0 0 322.412 3.578 10 0 DHAERN CCC(=O)NCCCCCc1nc2ccccc2n1CC(C)C ZINC000040211063 183045354 /nfs/dbraw/zinc/04/53/54/183045354.db2.gz KDBSAMACIFGFAH-UHFFFAOYSA-N 0 0 315.461 3.931 10 0 DHAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1cccc(C)c1 ZINC000040239691 183048791 /nfs/dbraw/zinc/04/87/91/183048791.db2.gz WGAFAGUFNCVPCM-UHFFFAOYSA-N 0 0 321.424 3.880 10 0 DHAERN COCc1nc2ccccc2n1CC(=O)c1ccc(Cl)cc1 ZINC000040232155 183048895 /nfs/dbraw/zinc/04/88/95/183048895.db2.gz NUTLYXDALZVQBS-UHFFFAOYSA-N 0 0 314.772 3.719 10 0 DHAERN Cc1ccc(NC(=O)Cn2c3ccccc3nc2C2CC2)cc1 ZINC000040295932 183052506 /nfs/dbraw/zinc/05/25/06/183052506.db2.gz JCACJBVTEDMKNA-UHFFFAOYSA-N 0 0 305.381 3.861 10 0 DHAERN COc1cccc(NC(=O)Cn2c3ccccc3nc2C(C)C)c1 ZINC000040295654 183052608 /nfs/dbraw/zinc/05/26/08/183052608.db2.gz WRIRQIUINNQKTJ-UHFFFAOYSA-N 0 0 323.396 3.807 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1F ZINC000040295536 183052898 /nfs/dbraw/zinc/05/28/98/183052898.db2.gz NNFUSQUWRQKJGP-UHFFFAOYSA-N 0 0 311.360 3.739 10 0 DHAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)NC(C)(C)C ZINC000040306562 183053418 /nfs/dbraw/zinc/05/34/18/183053418.db2.gz FKWCMFCXWYXKMM-UHFFFAOYSA-N 0 0 321.424 3.926 10 0 DHAERN O=C(Cn1c2ccccc2nc1-c1ccco1)Nc1ccccc1 ZINC000040307820 183053634 /nfs/dbraw/zinc/05/36/34/183053634.db2.gz SNXFMSXYFXXKET-UHFFFAOYSA-N 0 0 317.348 3.935 10 0 DHAERN OCCn1c(CSc2ccc(Cl)cc2)nc2ccccc21 ZINC000040389163 183060069 /nfs/dbraw/zinc/06/00/69/183060069.db2.gz PFJSIXHHFNTLPC-UHFFFAOYSA-N 0 0 318.829 3.974 10 0 DHAERN CC(C)(C)Cc1cc(N)n(-c2ccc(Br)cc2)n1 ZINC000040671002 183115370 /nfs/dbraw/zinc/11/53/70/183115370.db2.gz ITKYRTUQNPMDCS-UHFFFAOYSA-N 0 0 308.223 3.806 10 0 DHAERN Cc1cccc(Nc2ncnc(Oc3ccc(C)c(C)c3)c2N)n1 ZINC000040685826 183117763 /nfs/dbraw/zinc/11/77/63/183117763.db2.gz STCOKWCEZXLEJZ-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN CCCNc1ncnc(Nc2nc3c(cccc3C)s2)c1N ZINC000040707808 183121383 /nfs/dbraw/zinc/12/13/83/183121383.db2.gz FWEQOBWMLSPCNF-UHFFFAOYSA-N 0 0 314.418 3.542 10 0 DHAERN COc1ccccc1Nc1ncnc(Nc2cccc(C)c2)c1N ZINC000040781504 183133117 /nfs/dbraw/zinc/13/31/17/183133117.db2.gz IYVNFWFSIDEKBN-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN CC(C)CCNc1ncnc(Nc2cccc(Cl)c2)c1N ZINC000040781824 183133200 /nfs/dbraw/zinc/13/32/00/183133200.db2.gz AJDDXKYCDNMKFQ-UHFFFAOYSA-N 0 0 305.813 3.914 10 0 DHAERN CC(C)CCNc1ncnc(Nc2ccccc2Cl)c1N ZINC000040781335 183133289 /nfs/dbraw/zinc/13/32/89/183133289.db2.gz FCXSUMIUDNHBAA-UHFFFAOYSA-N 0 0 305.813 3.914 10 0 DHAERN Nc1c(NC2CCCCCC2)ncnc1OC1CCCCC1 ZINC000040800959 183135339 /nfs/dbraw/zinc/13/53/39/183135339.db2.gz ZAIBORGPBBUOLT-UHFFFAOYSA-N 0 0 304.438 3.905 10 0 DHAERN COc1ccc(Oc2ncnc(OC3CCCCC3)c2N)cc1 ZINC000040802146 183136094 /nfs/dbraw/zinc/13/60/94/183136094.db2.gz AEXTZFQBGNBTHH-UHFFFAOYSA-N 0 0 315.373 3.571 10 0 DHAERN Nc1c(Nc2cccc(Cl)c2)ncnc1N1CCCCCC1 ZINC000040725513 183124501 /nfs/dbraw/zinc/12/45/01/183124501.db2.gz ZBCKMXWCTXESEX-UHFFFAOYSA-N 0 0 317.824 3.836 10 0 DHAERN CN(c1ccccc1)c1ncnc(NC2CCCCCC2)c1N ZINC000040757914 183129548 /nfs/dbraw/zinc/12/95/48/183129548.db2.gz UEMDCOIEKNUSMT-UHFFFAOYSA-N 0 0 311.433 3.961 10 0 DHAERN Cc1cccc(Nc2ncnc(Oc3cccnc3)c2N)c1C ZINC000040755212 183129864 /nfs/dbraw/zinc/12/98/64/183129864.db2.gz HTWCJMYQIASRLE-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1cc(C)c(CSc2nnc(-c3ccccc3)n2N)cc1C ZINC000040924955 183148746 /nfs/dbraw/zinc/14/87/46/183148746.db2.gz UZGCWIZYLVWGHU-UHFFFAOYSA-N 0 0 324.453 3.876 10 0 DHAERN CC(C)Oc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 ZINC000040944457 183149965 /nfs/dbraw/zinc/14/99/65/183149965.db2.gz YTUZBMNVTUSWED-UHFFFAOYSA-N 0 0 302.399 3.946 10 0 DHAERN Cc1cc(C)cc(NC(=O)c2cnc3c(F)cccc3c2O)c1 ZINC000041055663 183159887 /nfs/dbraw/zinc/15/98/87/183159887.db2.gz FVSNBKUWONCEMY-UHFFFAOYSA-N 0 0 310.328 3.536 10 0 DHAERN COc1ccc(OCC(=O)Nc2ccnc3ccc(C)cc32)cc1 ZINC000041057295 183160210 /nfs/dbraw/zinc/16/02/10/183160210.db2.gz JLIILPSPPHIFGQ-UHFFFAOYSA-N 0 0 322.364 3.569 10 0 DHAERN Cc1ccc(Oc2ccc(I)cc2)nc1 ZINC000042418266 183266667 /nfs/dbraw/zinc/26/66/67/183266667.db2.gz FASQIPKXANUKNJ-UHFFFAOYSA-N 0 0 311.122 3.787 10 0 DHAERN FC(F)(F)c1ccn(Cc2ccccc2Br)n1 ZINC000042356383 183257198 /nfs/dbraw/zinc/25/71/98/183257198.db2.gz CILGWZHBQMXFBG-UHFFFAOYSA-N 0 0 305.097 3.713 10 0 DHAERN CC[C@H](NC(=O)c1ccc(F)cc1Br)C(C)C ZINC000042550755 183284388 /nfs/dbraw/zinc/28/43/88/183284388.db2.gz WWROQIGQZAKVIO-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN C[C@H](Oc1ccccc1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042850122 183314115 /nfs/dbraw/zinc/31/41/15/183314115.db2.gz IVZRUZDEVNWFBP-AVGNSLFASA-N 0 0 315.335 3.691 10 0 DHAERN CCCOc1ccc(C(=O)CCC(=O)N[C@@H](C)C(C)C)cc1 ZINC000044194990 183398148 /nfs/dbraw/zinc/39/81/48/183398148.db2.gz KXTGWHUGCYVFFD-AWEZNQCLSA-N 0 0 305.418 3.599 10 0 DHAERN COc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)c(C)c1 ZINC000047133195 183581684 /nfs/dbraw/zinc/58/16/84/183581684.db2.gz ZEWBMPGWBLLYNP-UHFFFAOYSA-N 0 0 323.352 3.614 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000105851211 194146881 /nfs/dbraw/zinc/14/68/81/194146881.db2.gz BACRYYGKQYLNLD-ZDUSSCGKSA-N 0 0 317.820 3.576 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000106215279 194188979 /nfs/dbraw/zinc/18/89/79/194188979.db2.gz VRBRPPNKANTVDA-CQSZACIVSA-N 0 0 305.372 3.561 10 0 DHAERN Fc1ccc(COC[C@H]2CCCCO2)c(Br)c1 ZINC000049601042 183747497 /nfs/dbraw/zinc/74/74/97/183747497.db2.gz FEVQCTZXTWQWHJ-GFCCVEGCSA-N 0 0 303.171 3.674 10 0 DHAERN Cc1nn(CCOc2cccc(Br)c2)c(C)c1C ZINC000049600698 183747557 /nfs/dbraw/zinc/74/75/57/183747557.db2.gz QQGREVYDMIZDQX-UHFFFAOYSA-N 0 0 309.207 3.650 10 0 DHAERN COCc1cc(Cl)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000051700493 183835133 /nfs/dbraw/zinc/83/51/33/183835133.db2.gz QCNYTJWORLBZOJ-UHFFFAOYSA-N 0 0 302.683 3.962 10 0 DHAERN C[C@@H]1CCN(CC(=O)c2ccc(Br)s2)[C@H](C)C1 ZINC000051733554 183835332 /nfs/dbraw/zinc/83/53/32/183835332.db2.gz FALXOPPUYBXSMA-NXEZZACHSA-N 0 0 316.264 3.814 10 0 DHAERN Nc1ccccc1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000052919261 183880016 /nfs/dbraw/zinc/88/00/16/183880016.db2.gz WGKNBPHJZDCJLY-LJQANCHMSA-N 0 0 314.237 3.926 10 0 DHAERN Cc1nc(C[C@@H](O)Cc2ccc(Cl)cc2Cl)cs1 ZINC000055294498 183977330 /nfs/dbraw/zinc/97/73/30/183977330.db2.gz KXVVTBDVFMYINJ-LBPRGKRZSA-N 0 0 302.226 3.904 10 0 DHAERN CC[C@H](C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 ZINC000056660409 184017316 /nfs/dbraw/zinc/01/73/16/184017316.db2.gz IOFFNKNGYALMQM-XEZPLFJOSA-N 0 0 306.406 3.553 10 0 DHAERN COc1ccc(Nc2nc(Cl)c3c(n2)CCCC3)cc1F ZINC000057343533 184034122 /nfs/dbraw/zinc/03/41/22/184034122.db2.gz CGCNSVYZLUJIBM-UHFFFAOYSA-N 0 0 307.756 3.900 10 0 DHAERN O=C1Cc2ccccc2C(=O)N1c1cc(Cl)ccc1Cl ZINC000057635314 184042906 /nfs/dbraw/zinc/04/29/06/184042906.db2.gz MCEJDPIAUIAWSU-UHFFFAOYSA-N 0 0 306.148 3.723 10 0 DHAERN C[C@H](c1cccc(Br)c1)N1C(=O)CC(C)(C)CC1=O ZINC000058003724 184066082 /nfs/dbraw/zinc/06/60/82/184066082.db2.gz CYTDNORMISGMGQ-SNVBAGLBSA-N 0 0 324.218 3.685 10 0 DHAERN C[C@](CO)(Nc1ccccc1)c1ccc(F)c(Br)c1 ZINC000061689706 184182773 /nfs/dbraw/zinc/18/27/73/184182773.db2.gz CLHDMUPVBSWWCH-OAHLLOKOSA-N 0 0 324.193 3.908 10 0 DHAERN O[C@@H](c1ccc2c(c1)COC2)c1ccccc1Br ZINC000062334846 184230927 /nfs/dbraw/zinc/23/09/27/184230927.db2.gz PNEFDHYMJMGWSF-HNNXBMFYSA-N 0 0 305.171 3.561 10 0 DHAERN CCOC(=O)c1sc(COc2cc(C)cc(C)c2)nc1C ZINC000064872502 184305128 /nfs/dbraw/zinc/30/51/28/184305128.db2.gz RRCCTWPBLVGUAG-UHFFFAOYSA-N 0 0 305.399 3.824 10 0 DHAERN Cc1cccc(C(=O)N2CCc3cc(-c4ccno4)ccc32)c1 ZINC000065247326 184318401 /nfs/dbraw/zinc/31/84/01/184318401.db2.gz BMFSZUIAZLIVNL-UHFFFAOYSA-N 0 0 304.349 3.853 10 0 DHAERN COC(=O)c1cc(-c2cc(O)cc(OC(F)(F)F)c2)cs1 ZINC000065344303 184326106 /nfs/dbraw/zinc/32/61/06/184326106.db2.gz ZRZGBKUIFZCVMY-UHFFFAOYSA-N 0 0 318.272 3.806 10 0 DHAERN C[C@H](c1ccccc1C(F)(F)F)n1cc2[nH]cccc-2c1=O ZINC000065371925 184329889 /nfs/dbraw/zinc/32/98/89/184329889.db2.gz CPZOMXPZPGIUEY-SNVBAGLBSA-N 0 0 306.287 3.817 10 0 DHAERN COc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)c(C)c1 ZINC000066163264 184394604 /nfs/dbraw/zinc/39/46/04/184394604.db2.gz GRSMZIKYOBQTSK-INIZCTEOSA-N 0 0 312.369 3.649 10 0 DHAERN Cn1c(CN(Cc2ccsc2)c2ccccc2)nnc1C1CC1 ZINC000066831620 184432059 /nfs/dbraw/zinc/43/20/59/184432059.db2.gz PCFVSUJHBZOEMU-UHFFFAOYSA-N 0 0 324.453 3.961 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000119646233 195009044 /nfs/dbraw/zinc/00/90/44/195009044.db2.gz HEZDZXBTCQKVSF-HUUCEWRRSA-N 0 0 306.475 3.635 10 0 DHAERN O=C(Nc1cccc(-c2ncco2)c1)N[C@@H]1COc2ccccc21 ZINC000152180288 196784342 /nfs/dbraw/zinc/78/43/42/196784342.db2.gz ITDAVKSMEWERNQ-OAHLLOKOSA-N 0 0 321.336 3.597 10 0 DHAERN Cc1cc(NC(=O)OCc2ccccc2)ncc1Br ZINC000307591447 257138145 /nfs/dbraw/zinc/13/81/45/257138145.db2.gz CHDCJBFPFGNGKB-UHFFFAOYSA-N 0 0 321.174 3.901 10 0 DHAERN CCN(C(=S)NC(=O)C=Cc1cccs1)c1ccccc1 ZINC000033908427 257211795 /nfs/dbraw/zinc/21/17/95/257211795.db2.gz DEPBNJBZLPETOA-KHPPLWFESA-N 0 0 316.451 3.689 10 0 DHAERN Cc1nn(C(=O)OC(C)(C)C)c2nc(Cl)cc(Cl)c12 ZINC000521401792 257234239 /nfs/dbraw/zinc/23/42/39/257234239.db2.gz PKAUPTWILLLOJH-UHFFFAOYSA-N 0 0 302.161 3.830 10 0 DHAERN Cn1nnc(-c2cccs2)c1SCc1ccc(F)cc1 ZINC000334163237 257262613 /nfs/dbraw/zinc/26/26/13/257262613.db2.gz XNNPCFYTHKHQIF-UHFFFAOYSA-N 0 0 305.403 3.975 10 0 DHAERN O=C(c1csc(Cl)n1)N1CCCC[C@H]1c1nccs1 ZINC000274411300 130233059 /nfs/dbraw/zinc/23/30/59/130233059.db2.gz GZCREPQGMZYGCO-VIFPVBQESA-N 0 0 313.835 3.620 10 0 DHAERN O=C1CCCN1[C@@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000005331657 134470497 /nfs/dbraw/zinc/47/04/97/134470497.db2.gz IOHFHDMIDGLHRV-LJQANCHMSA-N 0 0 306.409 3.760 10 0 DHAERN CCOc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000150842525 196592958 /nfs/dbraw/zinc/59/29/58/196592958.db2.gz LWCNKBBGXXWXFI-TVQRCGJNSA-N 0 0 317.307 3.610 10 0 DHAERN C[C@@H]1CCCCN1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000150976311 196611360 /nfs/dbraw/zinc/61/13/60/196611360.db2.gz GRANHWBUEPDNIG-HIFRSBDPSA-N 0 0 302.418 3.873 10 0 DHAERN Nc1cc([C@H]2CCN(Cc3ccccc3)c3ccccc32)[nH]n1 ZINC000616674489 435366222 /nfs/dbraw/zinc/36/62/22/435366222.db2.gz HVVHPXCGOGSEEP-HNNXBMFYSA-N 0 0 304.397 3.534 10 0 DHAERN CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc[nH]n2)c2ccccc21 ZINC000616675635 435366477 /nfs/dbraw/zinc/36/64/77/435366477.db2.gz MWRBWXKXLCIGRJ-CYBMUJFWSA-N 0 0 314.389 3.708 10 0 DHAERN Nc1n[nH]cc1[C@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000616590644 435366502 /nfs/dbraw/zinc/36/65/02/435366502.db2.gz ZZHKWWQDAVPMLJ-HNNXBMFYSA-N 0 0 304.397 3.534 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCCC3(C)C)C2)n1 ZINC000174979506 332871990 /nfs/dbraw/zinc/87/19/90/332871990.db2.gz NKOOFENEUZSMRP-KGLIPLIRSA-N 0 0 321.490 3.919 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000170878630 332893822 /nfs/dbraw/zinc/89/38/22/332893822.db2.gz SXSOJCWNCSZJSG-UWVGGRQHSA-N 0 0 316.829 3.687 10 0 DHAERN CC1CCC(Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000035355253 331494982 /nfs/dbraw/zinc/49/49/82/331494982.db2.gz BVOHWCNUZKYSIA-UHFFFAOYSA-N 0 0 303.374 3.674 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccccc1 ZINC000109078661 331509031 /nfs/dbraw/zinc/50/90/31/331509031.db2.gz ITZIPWIRDXAURD-NILFDRSVSA-N 0 0 301.336 3.946 10 0 DHAERN COc1cc(F)ccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109085366 331509894 /nfs/dbraw/zinc/50/98/94/331509894.db2.gz HMGCQIRHXJWSAR-RYUDHWBXSA-N 0 0 321.298 3.855 10 0 DHAERN Cc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109084516 331509939 /nfs/dbraw/zinc/50/99/39/331509939.db2.gz PKVKATIPTVSXOA-HUUCEWRRSA-N 0 0 301.336 3.693 10 0 DHAERN CN1C(=O)C[C@@H](NCc2ccc(Cl)s2)c2ccccc21 ZINC000071306565 331666905 /nfs/dbraw/zinc/66/69/05/331666905.db2.gz ZQLZLMWTCNFNKR-GFCCVEGCSA-N 0 0 306.818 3.599 10 0 DHAERN C[C@H](NC(=O)c1ccc(F)c(Br)c1)C1CCCC1 ZINC000231297311 331766517 /nfs/dbraw/zinc/76/65/17/331766517.db2.gz SOQOWSJUHZEVGH-VIFPVBQESA-N 0 0 314.198 3.897 10 0 DHAERN CCOC[C@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)C(C)C ZINC000190076313 331896834 /nfs/dbraw/zinc/89/68/34/331896834.db2.gz NZONDNNDZXNPEK-MNOVXSKESA-N 0 0 318.870 3.823 10 0 DHAERN CCCn1ccc(CNc2ccc3c(c2)NC(=O)CS3)c1 ZINC000091011380 331918134 /nfs/dbraw/zinc/91/81/34/331918134.db2.gz ADCXMCXDXRVAPK-UHFFFAOYSA-N 0 0 301.415 3.554 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCC3(C(C)C)CC3)C2)n1 ZINC000176357535 332936179 /nfs/dbraw/zinc/93/61/79/332936179.db2.gz RUNQELHBRVKNMC-CQSZACIVSA-N 0 0 321.490 3.777 10 0 DHAERN C[C@H](NC(=O)c1cccc2c1CCCN2)c1ccc(F)cc1F ZINC000130133466 332022967 /nfs/dbraw/zinc/02/29/67/332022967.db2.gz YYJAQEJWDGFYGY-NSHDSACASA-N 0 0 316.351 3.814 10 0 DHAERN COc1ccc(CCC(=O)N[C@@H](C)c2ccc(C)c(F)c2)cc1 ZINC000088233960 332047936 /nfs/dbraw/zinc/04/79/36/332047936.db2.gz UMPSJEDJICASAR-AWEZNQCLSA-N 0 0 315.388 3.953 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](OC(F)(F)C(F)(F)F)C1 ZINC000091252503 332101855 /nfs/dbraw/zinc/10/18/55/332101855.db2.gz OQJXYYJGNCOMGF-QMMMGPOBSA-N 0 0 319.270 3.558 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)c1cccc(F)c1Cl ZINC000133257656 332138757 /nfs/dbraw/zinc/13/87/57/332138757.db2.gz YDLWMXWCZGXENX-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccc(Cl)c(Cl)c1 ZINC000176524596 332945867 /nfs/dbraw/zinc/94/58/67/332945867.db2.gz DYYIIOIICIPOPW-MNOVXSKESA-N 0 0 316.228 3.987 10 0 DHAERN CC[C@H](C)[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000181092885 332175144 /nfs/dbraw/zinc/17/51/44/332175144.db2.gz LSVVKZVKYKGBGU-OBJOEFQTSA-N 0 0 301.352 3.958 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CSCc2cccnc2)cc1F ZINC000088235668 332322183 /nfs/dbraw/zinc/32/21/83/332322183.db2.gz PNSILKLREDQYGX-ZDUSSCGKSA-N 0 0 318.417 3.640 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2nc(C(C)C)ncc2Cl)o1 ZINC000050164615 332338472 /nfs/dbraw/zinc/33/84/72/332338472.db2.gz MJQCCHUQCSFTPP-JTQLQIEISA-N 0 0 307.781 3.646 10 0 DHAERN C[C@H](NC(=O)CCc1ccccc1N)c1ccc2c(c1)CCCC2 ZINC000261615390 332392430 /nfs/dbraw/zinc/39/24/30/332392430.db2.gz FGNPEFGVTFJEMY-HNNXBMFYSA-N 0 0 322.452 3.958 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)CSc2ccncc2)c2ccccc21 ZINC000125352908 332446378 /nfs/dbraw/zinc/44/63/78/332446378.db2.gz SPYDIKBXSYXGHQ-SUMWQHHRSA-N 0 0 312.438 3.929 10 0 DHAERN Cc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)n1 ZINC000151235885 332565517 /nfs/dbraw/zinc/56/55/17/332565517.db2.gz UBFCRUGTBRFMOV-RBUKOAKNSA-N 0 0 308.425 3.933 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2c(C)nn(CC)c2Cl)cc1 ZINC000152464710 332701010 /nfs/dbraw/zinc/70/10/10/332701010.db2.gz KEMBWFODAHKZRP-NSHDSACASA-N 0 0 319.836 3.918 10 0 DHAERN Cc1cc(CSCc2nnnn2C(C)C)c2ccccc2n1 ZINC000176905478 332961077 /nfs/dbraw/zinc/96/10/77/332961077.db2.gz OMOOUCCUWBNAMW-UHFFFAOYSA-N 0 0 313.430 3.544 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1cc(C)ccc1Br ZINC000163752528 332968856 /nfs/dbraw/zinc/96/88/56/332968856.db2.gz UEIJASJWJCQTDH-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN Cc1cc(F)cc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000178266558 333006127 /nfs/dbraw/zinc/00/61/27/333006127.db2.gz NUFZDAKASRLQKD-HNNXBMFYSA-N 0 0 300.333 3.779 10 0 DHAERN O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178327484 333007697 /nfs/dbraw/zinc/00/76/97/333007697.db2.gz OWIHEJKWRMUQHK-HCXYKTFWSA-N 0 0 313.441 3.803 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000178339155 333008060 /nfs/dbraw/zinc/00/80/60/333008060.db2.gz IZTPMYLGANILAH-LJISPDSOSA-N 0 0 305.368 3.717 10 0 DHAERN COC[C@H](NC(=O)N[C@H](C)c1ccc(C(C)C)cc1)C1CC1 ZINC000178605591 333016467 /nfs/dbraw/zinc/01/64/67/333016467.db2.gz ZJWPLRKCKFKUQF-DYVFJYSZSA-N 0 0 304.434 3.595 10 0 DHAERN Cc1cc2sc(NCc3c(Cl)cnn3C)nc2c(C)c1 ZINC000128762876 333032624 /nfs/dbraw/zinc/03/26/24/333032624.db2.gz OYVCOGGKTRMYCH-UHFFFAOYSA-N 0 0 306.822 3.912 10 0 DHAERN CSCC[C@H](NC(=O)[C@@H](C)C(C)C)c1nc2ccccc2[nH]1 ZINC000171976601 333056588 /nfs/dbraw/zinc/05/65/88/333056588.db2.gz VZASBYPEFAXECW-WFASDCNBSA-N 0 0 319.474 3.765 10 0 DHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccs1 ZINC000172345630 333061914 /nfs/dbraw/zinc/06/19/14/333061914.db2.gz NHYSLOYPXLJGHA-OCCSQVGLSA-N 0 0 303.431 3.997 10 0 DHAERN Cc1cccc(OCc2nc(-c3ccc(Cl)cc3)no2)n1 ZINC000181779561 333083001 /nfs/dbraw/zinc/08/30/01/333083001.db2.gz LFIAJGIGIFEKSC-UHFFFAOYSA-N 0 0 301.733 3.672 10 0 DHAERN C[C@H](NCc1nnc(C2CC2)n1C)c1ccc(C(C)(C)C)cc1 ZINC000178452025 333138975 /nfs/dbraw/zinc/13/89/75/333138975.db2.gz JKFOMBAUOXBIEB-ZDUSSCGKSA-N 0 0 312.461 3.841 10 0 DHAERN Cc1cccc(-c2nccc([C@@H]3CCCN(C(=O)C4CC4)C3)n2)c1 ZINC000065135360 333156512 /nfs/dbraw/zinc/15/65/12/333156512.db2.gz HTPZPODDYYUDLE-QGZVFWFLSA-N 0 0 321.424 3.568 10 0 DHAERN COC1(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000184866551 333172976 /nfs/dbraw/zinc/17/29/76/333172976.db2.gz HVXQFXYJSMAPRW-VXGBXAGGSA-N 0 0 307.356 3.573 10 0 DHAERN CC(C)[C@H](C)NC(=O)NCc1ccccc1N1CCCCC1 ZINC000182190862 333183222 /nfs/dbraw/zinc/18/32/22/333183222.db2.gz ZPZZCJSNNKKDSM-HNNXBMFYSA-N 0 0 303.450 3.521 10 0 DHAERN C[C@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)c1ccc2ccccc2c1 ZINC000182209298 333190348 /nfs/dbraw/zinc/19/03/48/333190348.db2.gz DORRNHBCAWJICK-KFWWJZLASA-N 0 0 312.413 3.720 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1scnc1C1CC1)[C@@H](C)C2 ZINC000182208753 333190451 /nfs/dbraw/zinc/19/04/51/333190451.db2.gz ZVJNVSXVFISMRK-NHYWBVRUSA-N 0 0 312.438 3.992 10 0 DHAERN CC(C)n1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000190298736 333269470 /nfs/dbraw/zinc/26/94/70/333269470.db2.gz PHDMUAREFYTTIY-SNVBAGLBSA-N 0 0 309.772 3.748 10 0 DHAERN O=C(c1ccc(Cl)cc1Cl)N1CCNCc2ccccc21 ZINC000062818454 333337464 /nfs/dbraw/zinc/33/74/64/333337464.db2.gz KPNJLQQZQDDNCM-UHFFFAOYSA-N 0 0 321.207 3.743 10 0 DHAERN CSC1(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)CC1 ZINC000188205959 333360664 /nfs/dbraw/zinc/36/06/64/333360664.db2.gz GVRZGVNCXUWMOS-CYBMUJFWSA-N 0 0 307.459 3.794 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000188279185 333362632 /nfs/dbraw/zinc/36/26/32/333362632.db2.gz WDSVZGXIPWWSRF-KBAYOESNSA-N 0 0 303.446 3.590 10 0 DHAERN CC(C)[C@@H](C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188292714 333362639 /nfs/dbraw/zinc/36/26/39/333362639.db2.gz AFKDKCSWJSKJKG-LLVKDONJSA-N 0 0 310.235 3.641 10 0 DHAERN CO[C@@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000188433336 333366372 /nfs/dbraw/zinc/36/63/72/333366372.db2.gz JQOYUQGMRDBDCE-MJBXVCDLSA-N 0 0 300.402 3.623 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2C)CC[C@@H]1c1ccccc1 ZINC000188651506 333383777 /nfs/dbraw/zinc/38/37/77/333383777.db2.gz RRYGDNUPXDFNDV-RWQQGDIJSA-N 0 0 315.457 3.844 10 0 DHAERN CC(C)(CNC(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000028395021 333778359 /nfs/dbraw/zinc/77/83/59/333778359.db2.gz YZPWQLABWUPWFJ-QGZVFWFLSA-N 0 0 324.424 3.787 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CC3(CCCC3)OC(C)(C)C2)o1 ZINC000187827568 334274288 /nfs/dbraw/zinc/27/42/88/334274288.db2.gz NWSUILVGKIMNAY-AWEZNQCLSA-N 0 0 320.433 3.782 10 0 DHAERN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000049787196 334359373 /nfs/dbraw/zinc/35/93/73/334359373.db2.gz HQUPFPJOQUHPLF-KSSFIOAISA-N 0 0 312.413 3.721 10 0 DHAERN Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000164761292 334666172 /nfs/dbraw/zinc/66/61/72/334666172.db2.gz NYYPYRDJBADYLM-JQWIXIFHSA-N 0 0 319.478 3.526 10 0 DHAERN Fc1cccc(NCc2cc(Br)cc3c2OCC3)n1 ZINC000122630399 334710056 /nfs/dbraw/zinc/71/00/56/334710056.db2.gz YJEGFLWQRUMKHH-UHFFFAOYSA-N 0 0 323.165 3.530 10 0 DHAERN C[C@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@@H]1CCCO1 ZINC000112570858 334719496 /nfs/dbraw/zinc/71/94/96/334719496.db2.gz VHBKBEHRXAFTEI-RDJZCZTQSA-N 0 0 303.446 3.719 10 0 DHAERN CC[C@@H](Nc1nc(C)nc2scc(C)c21)c1noc(C)n1 ZINC000126179822 334858862 /nfs/dbraw/zinc/85/88/62/334858862.db2.gz UTEXVUBCLYCLKM-SNVBAGLBSA-N 0 0 303.391 3.563 10 0 DHAERN Cc1nc(CNc2ncnc3cc(Cl)ccc32)c(C)s1 ZINC000129082194 334904548 /nfs/dbraw/zinc/90/45/48/334904548.db2.gz AQEHXDRCFSORCW-UHFFFAOYSA-N 0 0 304.806 3.969 10 0 DHAERN Fc1ccccc1OCCc1nc(CCc2ccccc2)no1 ZINC000113746400 335774810 /nfs/dbraw/zinc/77/48/10/335774810.db2.gz YRWMCFCNTHYBBC-UHFFFAOYSA-N 0 0 312.344 3.615 10 0 DHAERN Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2C)c(F)c1 ZINC000192004214 336011756 /nfs/dbraw/zinc/01/17/56/336011756.db2.gz QTRFWSYRRGXZQW-AWEZNQCLSA-N 0 0 321.417 3.623 10 0 DHAERN C/C=C\C[C@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000351638224 336053856 /nfs/dbraw/zinc/05/38/56/336053856.db2.gz BGODOUNDYXLPLC-BJNJMWPJSA-N 0 0 312.413 3.527 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@H](OCC2CC2)C1 ZINC000333012266 336196569 /nfs/dbraw/zinc/19/65/69/336196569.db2.gz GDQVOYKQQIMRTE-INIZCTEOSA-N 0 0 313.401 3.591 10 0 DHAERN O=C(Nc1cccc2c1CCO2)N[C@H]1CCCc2c(O)cccc21 ZINC000333041569 336197284 /nfs/dbraw/zinc/19/72/84/336197284.db2.gz ONHLMVOCIADWST-HNNXBMFYSA-N 0 0 324.380 3.526 10 0 DHAERN CC(C)c1ncsc1NC(=O)N1C[C@]2(CCCO2)[C@@H]1C(C)C ZINC000333061154 336197532 /nfs/dbraw/zinc/19/75/32/336197532.db2.gz DFRXCTZVRDYKLE-XJKSGUPXSA-N 0 0 323.462 3.688 10 0 DHAERN Cc1c(Cl)cncc1NC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C ZINC000333080116 336197782 /nfs/dbraw/zinc/19/77/82/336197782.db2.gz LVADIVXLSUIBKO-QWRGUYRKSA-N 0 0 308.809 3.623 10 0 DHAERN CC(C)(C[C@H]1CCCN(c2cnc3c(n2)CCCC3)C1)C(N)=O ZINC000333614464 336207311 /nfs/dbraw/zinc/20/73/11/336207311.db2.gz YMVXJLXJDSIIBV-CYBMUJFWSA-N 0 0 316.449 3.523 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000103381655 336241157 /nfs/dbraw/zinc/24/11/57/336241157.db2.gz DMOWPSRNTCZNOO-SUMWQHHRSA-N 0 0 317.816 3.828 10 0 DHAERN COC[C@H](C)C(=O)N1CC[C@@H](C)Sc2ccc(Cl)cc21 ZINC000103382971 336241235 /nfs/dbraw/zinc/24/12/35/336241235.db2.gz JVXHSQOFKZFVFH-WDEREUQCSA-N 0 0 313.850 3.840 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccc(OCc2cccc(F)c2)c1 ZINC000103383272 336241301 /nfs/dbraw/zinc/24/13/01/336241301.db2.gz RMULFCWUZXJUCS-ZDUSSCGKSA-N 0 0 317.360 3.626 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000103391259 336241447 /nfs/dbraw/zinc/24/14/47/336241447.db2.gz WTCQIDVXJDQBSP-HUUCEWRRSA-N 0 0 313.397 3.939 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)CCO1 ZINC000182594525 336274156 /nfs/dbraw/zinc/27/41/56/336274156.db2.gz AMHWJTXKPOHZFC-ALKVMWCTSA-N 0 0 305.462 3.523 10 0 DHAERN Cc1nc2ccccc2nc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301210053 336295093 /nfs/dbraw/zinc/29/50/93/336295093.db2.gz VZSFWHNXROVZIJ-OAHLLOKOSA-N 0 0 304.397 3.629 10 0 DHAERN c1[nH]nc2ncnc(NCc3cccc(OC4CCCCC4)c3)c12 ZINC000301225230 336295669 /nfs/dbraw/zinc/29/56/69/336295669.db2.gz FJZOGAHJLPHATK-UHFFFAOYSA-N 0 0 323.400 3.677 10 0 DHAERN Cc1csc(CN(C)c2nc(-c3cccc(Cl)c3)no2)n1 ZINC000301270436 336297861 /nfs/dbraw/zinc/29/78/61/336297861.db2.gz GZHLNCVWEMJEQB-UHFFFAOYSA-N 0 0 320.805 3.791 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)c2ncnc3sccc32)C12CCCC2 ZINC000301362123 336302540 /nfs/dbraw/zinc/30/25/40/336302540.db2.gz PBDVRQHIIFJLEJ-UONOGXRCSA-N 0 0 317.458 3.865 10 0 DHAERN Brc1cncc(N[C@H]2CCN(c3ccccc3)C2)c1 ZINC000301360958 336302568 /nfs/dbraw/zinc/30/25/68/336302568.db2.gz AJKSSMHFJNXEPV-ZDUSSCGKSA-N 0 0 318.218 3.535 10 0 DHAERN Fc1ccc([C@H]2CCC[C@@H]2Nc2ccc3nccnc3n2)cc1 ZINC000301400322 336304526 /nfs/dbraw/zinc/30/45/26/336304526.db2.gz BQDWDVIIEQFHLO-CABCVRRESA-N 0 0 308.360 3.912 10 0 DHAERN CC[C@@H](Nc1ccc(-c2ccc(F)cc2)nn1)c1noc(C)n1 ZINC000301485161 336309838 /nfs/dbraw/zinc/30/98/38/336309838.db2.gz WGNRBARJYUDZES-CYBMUJFWSA-N 0 0 313.336 3.537 10 0 DHAERN C[C@H](Cc1ccsc1)N(C)c1nccc(C(F)(F)F)n1 ZINC000301487141 336309931 /nfs/dbraw/zinc/30/99/31/336309931.db2.gz IGPKKIILTGNNLQ-SECBINFHSA-N 0 0 301.337 3.624 10 0 DHAERN C[C@@H]1[C@@H](C)CCN1c1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000301494692 336310222 /nfs/dbraw/zinc/31/02/22/336310222.db2.gz RZZXCWGQNRGZSG-WDEREUQCSA-N 0 0 322.334 3.792 10 0 DHAERN CCS[C@H]1CC[C@]1(O)CNc1ccnc2cc(Cl)ccc21 ZINC000301497530 336310500 /nfs/dbraw/zinc/31/05/00/336310500.db2.gz UYQQXAOOMSNEQJ-HOTGVXAUSA-N 0 0 322.861 3.947 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000301519206 336312017 /nfs/dbraw/zinc/31/20/17/336312017.db2.gz CQRTVSCUNWICNM-GXZWQRSESA-N 0 0 302.443 3.727 10 0 DHAERN CSc1nc2ncnc(N3CC[C@H]4CCCC[C@@H]43)c2s1 ZINC000301554871 336314486 /nfs/dbraw/zinc/31/44/86/336314486.db2.gz HEENDVFLKKGXMB-ZJUUUORDSA-N 0 0 306.460 3.577 10 0 DHAERN CC(C)[C@@H](CO)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000301570381 336315698 /nfs/dbraw/zinc/31/56/98/336315698.db2.gz QXPMIFWQVAHVMC-QGZVFWFLSA-N 0 0 307.397 3.726 10 0 DHAERN CCN(Cc1cccc(F)c1)c1c(F)c(F)nc(F)c1F ZINC000301590347 336316831 /nfs/dbraw/zinc/31/68/31/336316831.db2.gz CXFXPAMYWGSCRJ-UHFFFAOYSA-N 0 0 302.246 3.804 10 0 DHAERN CCCNC(=O)c1ccc(N[C@H](C)c2ccc(C)c(F)c2)nc1 ZINC000301598301 336317365 /nfs/dbraw/zinc/31/73/65/336317365.db2.gz HHGXIESOARDZEQ-CYBMUJFWSA-N 0 0 315.392 3.842 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@H]3CCC(C)C)c2)n1 ZINC000301672517 336322472 /nfs/dbraw/zinc/32/24/72/336322472.db2.gz AOWFLLPQZQXMBD-HNNXBMFYSA-N 0 0 300.406 3.845 10 0 DHAERN C[C@H](Nc1ccc2ccccc2n1)c1cn(-c2ccccc2)nn1 ZINC000301677628 336322890 /nfs/dbraw/zinc/32/28/90/336322890.db2.gz TVIPOLBIOGWCAK-AWEZNQCLSA-N 0 0 315.380 3.989 10 0 DHAERN CC[C@@H](CNc1ccc(C(=O)OC)nn1)c1ccc(Cl)cc1 ZINC000301710670 336324953 /nfs/dbraw/zinc/32/49/53/336324953.db2.gz UUVJOLVUQBLVTD-NSHDSACASA-N 0 0 319.792 3.522 10 0 DHAERN CCOC(=O)[C@@]1(C)CCN(c2ccnc3cc(Cl)ccc32)C1 ZINC000301764301 336328360 /nfs/dbraw/zinc/32/83/60/336328360.db2.gz NBSCZAWBZLGYRW-KRWDZBQOSA-N 0 0 318.804 3.668 10 0 DHAERN CCc1sc([C@H](C)Nc2cc(CC)nc3ncnn32)cc1C ZINC000301784000 336329687 /nfs/dbraw/zinc/32/96/87/336329687.db2.gz UWMIMSOIUHOPRZ-NSHDSACASA-N 0 0 315.446 3.792 10 0 DHAERN COCc1cc(N[C@H]2CC[C@@H](SC)C2)nc(C(C)(C)C)n1 ZINC000301795792 336330491 /nfs/dbraw/zinc/33/04/91/336330491.db2.gz PXUQELRITNQAIN-WCQYABFASA-N 0 0 309.479 3.617 10 0 DHAERN C[C@H](O)[C@H]1CCCN(c2ccc3c(Cl)ccnc3c2F)C1 ZINC000301798074 336330671 /nfs/dbraw/zinc/33/06/71/336330671.db2.gz VBAADLNTJCNHQH-QWRGUYRKSA-N 0 0 308.784 3.625 10 0 DHAERN Cc1cc(N[C@@H](C)c2cnn(Cc3ccccc3)c2)nc(C)n1 ZINC000301851894 336334180 /nfs/dbraw/zinc/33/41/80/336334180.db2.gz PRYMKBZCBLPNLN-AWEZNQCLSA-N 0 0 307.401 3.511 10 0 DHAERN CCc1nc2sccc2c(N[C@@H]2CCCCC[C@@H]2CO)n1 ZINC000301855648 336334387 /nfs/dbraw/zinc/33/43/87/336334387.db2.gz YSRUFPDXFFKOBA-DGCLKSJQSA-N 0 0 305.447 3.607 10 0 DHAERN C[C@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1nc[nH]n1 ZINC000301914469 336337799 /nfs/dbraw/zinc/33/77/99/336337799.db2.gz FSYNFMVNLODFBQ-LBPRGKRZSA-N 0 0 316.368 3.588 10 0 DHAERN COC(=O)c1ccc(N2CCC(=Cc3ccccc3)CC2)nc1C ZINC000301972087 336340687 /nfs/dbraw/zinc/34/06/87/336340687.db2.gz SZIRIHLQTRXNCD-UHFFFAOYSA-N 0 0 322.408 3.860 10 0 DHAERN CCc1ccc(CN(Cc2cccnc2)c2ncc(F)cn2)cc1 ZINC000302033863 336344444 /nfs/dbraw/zinc/34/44/44/336344444.db2.gz OJVFBLMCZLZMPX-UHFFFAOYSA-N 0 0 322.387 3.780 10 0 DHAERN C[C@@H]1CCN(c2nnc(Cc3ccccc3F)s2)C[C@H]1C ZINC000302156060 336351270 /nfs/dbraw/zinc/35/12/70/336351270.db2.gz MYOPHQVSQMAWGG-VXGBXAGGSA-N 0 0 305.422 3.750 10 0 DHAERN CC(C)OC(=O)c1cccnc1N1CCC[C@@H]1c1ccco1 ZINC000302236867 336355611 /nfs/dbraw/zinc/35/56/11/336355611.db2.gz VWFRWGSNLQMTOS-CQSZACIVSA-N 0 0 300.358 3.581 10 0 DHAERN CC(C)Cc1nsc(N[C@H]2CCO[C@@H]2c2ccccc2)n1 ZINC000302285259 336356739 /nfs/dbraw/zinc/35/67/39/336356739.db2.gz LKMGCGBTHAGIRT-DZGCQCFKSA-N 0 0 303.431 3.679 10 0 DHAERN CC(C)Cc1nsc(N2C[C@@H](C)OC[C@H]2c2ccccc2)n1 ZINC000302324049 336357222 /nfs/dbraw/zinc/35/72/22/336357222.db2.gz XIXCXTQMLCRTFV-HIFRSBDPSA-N 0 0 317.458 3.703 10 0 DHAERN CC(C)C[C@@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000302394348 336358135 /nfs/dbraw/zinc/35/81/35/336358135.db2.gz DSGSCLHIWVTJFE-GFCCVEGCSA-N 0 0 308.372 3.970 10 0 DHAERN Fc1cc(F)c2nccc(N3CC[C@@H]4OCCC[C@H]4C3)c2c1 ZINC000302400867 336358258 /nfs/dbraw/zinc/35/82/58/336358258.db2.gz FUAINNYQMCAZMO-ZBEGNZNMSA-N 0 0 304.340 3.518 10 0 DHAERN Fc1cc(F)c2nccc(N3CC[C@H]4OCCC[C@H]4C3)c2c1 ZINC000302400864 336358335 /nfs/dbraw/zinc/35/83/35/336358335.db2.gz FUAINNYQMCAZMO-MEDUHNTESA-N 0 0 304.340 3.518 10 0 DHAERN OCC[C@@H]1CCC[C@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000302472553 336359407 /nfs/dbraw/zinc/35/94/07/336359407.db2.gz UPQKNCGCNUZXAF-GXFFZTMASA-N 0 0 308.784 3.990 10 0 DHAERN COC(=O)c1sc(Oc2ccc3c(c2)CCC3=O)nc1Cl ZINC000302535404 336361041 /nfs/dbraw/zinc/36/10/41/336361041.db2.gz MKYXQRWKRGVFHG-UHFFFAOYSA-N 0 0 323.757 3.504 10 0 DHAERN CO[C@H]1CN(c2ccc3c(Cl)ccnc3c2F)CC[C@@H]1C ZINC000302588598 336362090 /nfs/dbraw/zinc/36/20/90/336362090.db2.gz VWJVWTITZIMMMJ-HZMBPMFUSA-N 0 0 308.784 3.889 10 0 DHAERN Clc1cncnc1N[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000302608231 336362510 /nfs/dbraw/zinc/36/25/10/336362510.db2.gz DMENVHXCOHHTTH-JQWIXIFHSA-N 0 0 324.609 3.861 10 0 DHAERN Clc1cncnc1N[C@H]1C[C@H]1c1ccccc1Br ZINC000302617823 336362736 /nfs/dbraw/zinc/36/27/36/336362736.db2.gz GHEIJJZQJRJOMI-CABZTGNLSA-N 0 0 324.609 3.861 10 0 DHAERN CN(CC1CC(O)C1)c1nc(-c2ccccc2)nc2ccccc21 ZINC000302633792 336363102 /nfs/dbraw/zinc/36/31/02/336363102.db2.gz GYBVKONBIKGDNV-UHFFFAOYSA-N 0 0 319.408 3.504 10 0 DHAERN CCc1nnc(N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)nc1CC ZINC000302753489 336367956 /nfs/dbraw/zinc/36/79/56/336367956.db2.gz VCYWNUJJZYQKPR-WBMJQRKESA-N 0 0 314.433 3.875 10 0 DHAERN CCOC(=O)C1(CNc2nccc3oc(C)cc32)CCCC1 ZINC000302767577 336368267 /nfs/dbraw/zinc/36/82/67/336368267.db2.gz ZYUWKSZRCPSNNE-UHFFFAOYSA-N 0 0 302.374 3.672 10 0 DHAERN CSC1(CNc2nnc(Cc3ccccc3F)s2)CC1 ZINC000302862022 336372266 /nfs/dbraw/zinc/37/22/66/336372266.db2.gz QSXQLHJNMGSEMP-UHFFFAOYSA-N 0 0 309.435 3.576 10 0 DHAERN CCOc1ccccc1CCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116046426 336830597 /nfs/dbraw/zinc/83/05/97/336830597.db2.gz ZGIPEICQIHGZRN-INIZCTEOSA-N 0 0 313.397 3.975 10 0 DHAERN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000116486300 336840613 /nfs/dbraw/zinc/84/06/13/336840613.db2.gz ZPYPAFYANSHRBP-CYBMUJFWSA-N 0 0 304.321 3.796 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116647190 336843525 /nfs/dbraw/zinc/84/35/25/336843525.db2.gz FMUQCZYXNNFGSE-CVEARBPZSA-N 0 0 305.466 3.733 10 0 DHAERN CCO[C@H](C)c1noc(CN[C@H](C)c2ccc(CC)cc2)n1 ZINC000120363625 336909088 /nfs/dbraw/zinc/90/90/88/336909088.db2.gz BBOXSFGRZGSUKU-CHWSQXEVSA-N 0 0 303.406 3.580 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)O1 ZINC000122906006 337030290 /nfs/dbraw/zinc/03/02/90/337030290.db2.gz BWUOBRVOSKPSJP-JOYOIKCWSA-N 0 0 302.201 3.519 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000193971104 337080927 /nfs/dbraw/zinc/08/09/27/337080927.db2.gz GQBGWMBRFFAMGF-KEYYUXOJSA-N 0 0 303.446 3.834 10 0 DHAERN Cc1nc([C@H](C)NC(=O)c2cccc(OCC(C)C)c2)cs1 ZINC000170496984 337083249 /nfs/dbraw/zinc/08/32/49/337083249.db2.gz MYSRKGAZLKVCNH-LBPRGKRZSA-N 0 0 318.442 3.977 10 0 DHAERN CCOc1ccccc1[C@H](CC)NC(=O)N1CCS[C@@H](C)C1 ZINC000170881707 337083305 /nfs/dbraw/zinc/08/33/05/337083305.db2.gz YYPRDLMLNANKRC-ZFWWWQNUSA-N 0 0 322.474 3.683 10 0 DHAERN C[C@H]1CN(Cc2coc(-c3ccc(F)c(F)c3)n2)CCS1 ZINC000170901316 337085372 /nfs/dbraw/zinc/08/53/72/337085372.db2.gz PXXKEEFWDYMTQB-JTQLQIEISA-N 0 0 310.369 3.557 10 0 DHAERN Cc1nc(C[C@H]2CCCN(C(=O)CCC3CCCCC3)C2)no1 ZINC000171242816 337086153 /nfs/dbraw/zinc/08/61/53/337086153.db2.gz LPYJNCYOLTVJQK-MRXNPFEDSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1[nH]c2c(cccc2C(=O)N2CCO[C@H]3CCCC[C@H]32)c1C ZINC000171022615 337086563 /nfs/dbraw/zinc/08/65/63/337086563.db2.gz BRQUQMPCICBESV-SJORKVTESA-N 0 0 312.413 3.568 10 0 DHAERN C[C@@H](NCc1nc(-c2ccc(F)cc2)no1)c1cccs1 ZINC000171111439 337086779 /nfs/dbraw/zinc/08/67/79/337086779.db2.gz VFNLTNWJAYAFAT-SNVBAGLBSA-N 0 0 303.362 3.788 10 0 DHAERN C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1cccs1 ZINC000171651724 337087068 /nfs/dbraw/zinc/08/70/68/337087068.db2.gz IPRKBMYXTQRDIJ-JTQLQIEISA-N 0 0 318.423 3.885 10 0 DHAERN C[C@H]1CN(C(=O)N[C@@H](c2ccco2)c2ccccc2)CCS1 ZINC000171416700 337087266 /nfs/dbraw/zinc/08/72/66/337087266.db2.gz SNFSCGASHSADPE-XJKSGUPXSA-N 0 0 316.426 3.516 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)c2cnc(C)nc2C(C)C)cc1 ZINC000172097411 337089797 /nfs/dbraw/zinc/08/97/97/337089797.db2.gz CDPGEWXKWPUABO-CYBMUJFWSA-N 0 0 311.429 3.962 10 0 DHAERN O=C(NCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccco1 ZINC000172168263 337090208 /nfs/dbraw/zinc/09/02/08/337090208.db2.gz DNHLLFLKIJZEAP-QGZVFWFLSA-N 0 0 323.396 3.850 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2ccsc2)C12CCCC2 ZINC000172601473 337130224 /nfs/dbraw/zinc/13/02/24/337130224.db2.gz DYQQUUROIIJNJQ-HUUCEWRRSA-N 0 0 322.474 3.627 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cnc(-c3ccncc3)s2)o1 ZINC000172852377 337131509 /nfs/dbraw/zinc/13/15/09/337131509.db2.gz YQXZJCJVKDHJPJ-NSHDSACASA-N 0 0 313.382 3.598 10 0 DHAERN CCCCCCOCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173072359 337131948 /nfs/dbraw/zinc/13/19/48/337131948.db2.gz PWXRKOBMNLNGMI-OAHLLOKOSA-N 0 0 324.490 3.754 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC(c2nncn2CC)CC1 ZINC000173099056 337132068 /nfs/dbraw/zinc/13/20/68/337132068.db2.gz FJNPSMRTWFPVBX-OAHLLOKOSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 ZINC000173420315 337135207 /nfs/dbraw/zinc/13/52/07/337135207.db2.gz ZKNKQCWKCIVKSP-AWEZNQCLSA-N 0 0 320.483 3.852 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)[C@H](C)OCCC(C)C)C2)n1 ZINC000173426728 337135251 /nfs/dbraw/zinc/13/52/51/337135251.db2.gz LRXUGYOZFKOSCB-GJZGRUSLSA-N 0 0 324.490 3.609 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccnc3Cl)C2)n1 ZINC000173588633 337136596 /nfs/dbraw/zinc/13/65/96/337136596.db2.gz ZZEFVWKFJNAMGT-NSHDSACASA-N 0 0 321.833 3.520 10 0 DHAERN C[C@@H](N[C@@H](C)c1ccc(F)c(Cl)c1)c1nnc2n1CCCC2 ZINC000173627587 337137031 /nfs/dbraw/zinc/13/70/31/337137031.db2.gz HKCFKYBAQIVAFM-WDEREUQCSA-N 0 0 322.815 3.819 10 0 DHAERN Cc1ccccc1CC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173911287 337137419 /nfs/dbraw/zinc/13/74/19/337137419.db2.gz LXHAGARINNVIES-INIZCTEOSA-N 0 0 319.408 3.601 10 0 DHAERN CSCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173962286 337137949 /nfs/dbraw/zinc/13/79/49/337137949.db2.gz YBVGXTSMVQEAOK-LBPRGKRZSA-N 0 0 312.504 3.726 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000173852410 337138548 /nfs/dbraw/zinc/13/85/48/337138548.db2.gz BFPNBORDDCOJGE-OAHLLOKOSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@@H]3CC=CCC3)C2)n1 ZINC000174371186 337141210 /nfs/dbraw/zinc/14/12/10/337141210.db2.gz JQXUOVMJWZNDFS-CABCVRRESA-N 0 0 319.474 3.697 10 0 DHAERN Cc1cccc(NC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1Cl ZINC000174924707 337143698 /nfs/dbraw/zinc/14/36/98/337143698.db2.gz HXSAFQYPXBUJSD-CQSZACIVSA-N 0 0 318.808 3.751 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175384416 337145652 /nfs/dbraw/zinc/14/56/52/337145652.db2.gz WAZKLSIBDYDSGK-MRXNPFEDSA-N 0 0 305.466 3.962 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000175990030 337149981 /nfs/dbraw/zinc/14/99/81/337149981.db2.gz FUJFVVKBLQYNGL-OAHLLOKOSA-N 0 0 306.454 3.658 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)c(C)n1 ZINC000176707299 337151766 /nfs/dbraw/zinc/15/17/66/337151766.db2.gz MVIHSKSWHQQEJQ-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN CCCCCN(CCCCC)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000176595703 337152163 /nfs/dbraw/zinc/15/21/63/337152163.db2.gz INNGEKIFZOHCNO-OAHLLOKOSA-N 0 0 321.469 3.505 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)CCC3CCC3)C2)n1 ZINC000176683212 337152724 /nfs/dbraw/zinc/15/27/24/337152724.db2.gz BVFDBNAYCDMCOI-CQSZACIVSA-N 0 0 306.475 3.992 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(OC)cs2)C12CCCC2 ZINC000176892081 337153500 /nfs/dbraw/zinc/15/35/00/337153500.db2.gz FNNJIEUZGDQEEL-CABCVRRESA-N 0 0 323.458 3.567 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCCC2CCCC2)no1 ZINC000177404922 337155813 /nfs/dbraw/zinc/15/58/13/337155813.db2.gz NRNBOSHQYJCXEL-AWEZNQCLSA-N 0 0 320.437 3.620 10 0 DHAERN CC(C)CC[C@@H](C)NC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177341899 337156942 /nfs/dbraw/zinc/15/69/42/337156942.db2.gz CIACHBPKVTUAJP-ZIAGYGMSSA-N 0 0 322.453 3.864 10 0 DHAERN CCC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177557993 337157805 /nfs/dbraw/zinc/15/78/05/337157805.db2.gz NWTYQZMBNPWUIW-HOTGVXAUSA-N 0 0 318.465 3.616 10 0 DHAERN CCCCCC[C@@H](C)CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177682252 337158353 /nfs/dbraw/zinc/15/83/53/337158353.db2.gz PPCBULCWNGBPGO-UKRRQHHQSA-N 0 0 306.454 3.534 10 0 DHAERN CCCCCC[C@@H](C)CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177682275 337158413 /nfs/dbraw/zinc/15/84/13/337158413.db2.gz PPCBULCWNGBPGO-HIFRSBDPSA-N 0 0 306.454 3.534 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)O1 ZINC000177961234 337159408 /nfs/dbraw/zinc/15/94/08/337159408.db2.gz YTPKULKYSWIKEZ-OASPWFOLSA-N 0 0 311.834 3.561 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000178117902 337162435 /nfs/dbraw/zinc/16/24/35/337162435.db2.gz SADSKCRNPCBTRO-BFQNTYOBSA-N 0 0 307.821 3.960 10 0 DHAERN Cc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1Cl ZINC000178998991 337166734 /nfs/dbraw/zinc/16/67/34/337166734.db2.gz LUHWFHDIDRRDLX-CQSZACIVSA-N 0 0 301.773 3.902 10 0 DHAERN Cc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1Cl ZINC000178999001 337166830 /nfs/dbraw/zinc/16/68/30/337166830.db2.gz LUHWFHDIDRRDLX-AWEZNQCLSA-N 0 0 301.773 3.902 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cc(Br)ccc2F)o1 ZINC000220905997 337167098 /nfs/dbraw/zinc/16/70/98/337167098.db2.gz DLXDOMGFOHQSMU-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1Cc1cnn2ccccc12 ZINC000179378313 337167568 /nfs/dbraw/zinc/16/75/68/337167568.db2.gz MMDJLACJZJTTQD-LJQANCHMSA-N 0 0 321.424 3.686 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1Cc1cnn2ccccc12 ZINC000179378304 337167701 /nfs/dbraw/zinc/16/77/01/337167701.db2.gz MMDJLACJZJTTQD-IBGZPJMESA-N 0 0 321.424 3.686 10 0 DHAERN O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CCOc2ccccc21 ZINC000179583438 337170342 /nfs/dbraw/zinc/17/03/42/337170342.db2.gz AYVYPSUNZHMQQZ-SFHVURJKSA-N 0 0 320.392 3.741 10 0 DHAERN COCc1ccsc1C(=O)N[C@H]1CCCc2ccccc21 ZINC000179868792 337172257 /nfs/dbraw/zinc/17/22/57/337172257.db2.gz HKSGLRUTBWWNAG-HNNXBMFYSA-N 0 0 301.411 3.702 10 0 DHAERN Cc1ccc(C[C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000179973321 337172976 /nfs/dbraw/zinc/17/29/76/337172976.db2.gz KJEVFMQRVCDQAE-MAUKXSAKSA-N 0 0 309.409 3.814 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)s2)o1 ZINC000180642939 337176866 /nfs/dbraw/zinc/17/68/66/337176866.db2.gz BPZOJHGSVXPMRL-NWDGAFQWSA-N 0 0 305.399 3.614 10 0 DHAERN CCCn1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000180766593 337177749 /nfs/dbraw/zinc/17/77/49/337177749.db2.gz FZNDHCXKDXSGNZ-SNVBAGLBSA-N 0 0 309.772 3.577 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3(C)CCCCCC3)CC2)cn1 ZINC000180827809 337177954 /nfs/dbraw/zinc/17/79/54/337177954.db2.gz ZLYQMBYIDZRBFP-UHFFFAOYSA-N 0 0 317.477 3.970 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCSc3ccncc32)CC(C)(C)C1 ZINC000180987709 337179139 /nfs/dbraw/zinc/17/91/39/337179139.db2.gz RXUAUPCQCVMYIU-CHWSQXEVSA-N 0 0 304.459 3.983 10 0 DHAERN Cc1c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)cnn1C(C)C ZINC000181106693 337179833 /nfs/dbraw/zinc/17/98/33/337179833.db2.gz OALAHMFUGNISEY-UGSOOPFHSA-N 0 0 311.429 3.744 10 0 DHAERN CC(=Cc1ccc(C)cc1)C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000182065674 337185962 /nfs/dbraw/zinc/18/59/62/337185962.db2.gz MBSPKLLBRTXJQC-FYWRMAATSA-N 0 0 309.413 3.528 10 0 DHAERN COCCC1(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CCC1 ZINC000182215561 337187389 /nfs/dbraw/zinc/18/73/89/337187389.db2.gz PJMOUYBHEVSEPO-YOEHRIQHSA-N 0 0 301.430 3.551 10 0 DHAERN O=C(NCc1cc2ccccc2o1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182395960 337188201 /nfs/dbraw/zinc/18/82/01/337188201.db2.gz NWHRUCJPGGXEJM-INIZCTEOSA-N 0 0 324.384 3.593 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccc(O)c1 ZINC000182825338 337188433 /nfs/dbraw/zinc/18/84/33/337188433.db2.gz PFHQDIKEYPTSDM-QGZVFWFLSA-N 0 0 323.392 3.959 10 0 DHAERN COc1cc(CN(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)ccc1O ZINC000183125223 337190060 /nfs/dbraw/zinc/19/00/60/337190060.db2.gz SVIDPMXQEMIEFJ-DZGCQCFKSA-N 0 0 319.445 3.822 10 0 DHAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000183006124 337190999 /nfs/dbraw/zinc/19/09/99/337190999.db2.gz PENATQWNUFCFDD-HIFRSBDPSA-N 0 0 306.454 3.861 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060990 337191241 /nfs/dbraw/zinc/19/12/41/337191241.db2.gz KJQCSIHXUGILGP-AWEZNQCLSA-N 0 0 304.463 3.609 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC(C)(C)C1 ZINC000183455116 337191833 /nfs/dbraw/zinc/19/18/33/337191833.db2.gz QPGKMURTDZRWJJ-QLFBSQMISA-N 0 0 303.450 3.578 10 0 DHAERN C[C@H]1CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CCS1 ZINC000184411134 337197075 /nfs/dbraw/zinc/19/70/75/337197075.db2.gz FYIVCMCMKGHAJE-QMMMGPOBSA-N 0 0 323.767 3.936 10 0 DHAERN CC(C)n1nnnc1CNc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184561041 337198488 /nfs/dbraw/zinc/19/84/88/337198488.db2.gz JTYHZGJENHBFIH-UHFFFAOYSA-N 0 0 319.718 3.538 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2ccc(Br)c(C)c2)o1 ZINC000226615113 337200011 /nfs/dbraw/zinc/20/00/11/337200011.db2.gz HRBNCLXVTCCSLM-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN COC1(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)CCCCC1 ZINC000185548090 337248899 /nfs/dbraw/zinc/24/88/99/337248899.db2.gz WAJOFTWAFJAYKX-AWEZNQCLSA-N 0 0 322.474 3.507 10 0 DHAERN CCSc1cccc(CN[C@H](C)c2nnc3n2CCCC3)c1 ZINC000185558164 337249098 /nfs/dbraw/zinc/24/90/98/337249098.db2.gz HYKSYWVCCWTLGO-CYBMUJFWSA-N 0 0 316.474 3.577 10 0 DHAERN O=C(c1cc(Cl)cc(Cl)n1)N1CCC[C@@H]1c1ccco1 ZINC000185637598 337249836 /nfs/dbraw/zinc/24/98/36/337249836.db2.gz QOWVZTUBEYMXNP-LLVKDONJSA-N 0 0 311.168 3.959 10 0 DHAERN C[C@@H](NC(=O)[C@H](C)Sc1cccc(O)c1)c1ccccc1 ZINC000185695595 337250334 /nfs/dbraw/zinc/25/03/34/337250334.db2.gz NOFSQJDEHWKIKQ-OLZOCXBDSA-N 0 0 301.411 3.750 10 0 DHAERN CC(C)[C@]1(C)C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000186563346 337257605 /nfs/dbraw/zinc/25/76/05/337257605.db2.gz FWNBQWVILNBECV-FNHZYXHNSA-N 0 0 311.429 3.732 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000188055177 337270286 /nfs/dbraw/zinc/27/02/86/337270286.db2.gz UMMBRTLWAAYCMV-RHSMWYFYSA-N 0 0 305.418 3.756 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(Cc1ccoc1)C1CCCCC1 ZINC000188055229 337270321 /nfs/dbraw/zinc/27/03/21/337270321.db2.gz UMMBRTLWAAYCMV-PBHICJAKSA-N 0 0 305.418 3.756 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000188135666 337271032 /nfs/dbraw/zinc/27/10/32/337271032.db2.gz BTTBHHWCJLPXPZ-WBMJQRKESA-N 0 0 307.821 3.646 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188802529 337275336 /nfs/dbraw/zinc/27/53/36/337275336.db2.gz ZASFVYLYZKIEQN-CYBMUJFWSA-N 0 0 317.429 3.756 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000189433405 337279735 /nfs/dbraw/zinc/27/97/35/337279735.db2.gz VCMGFMKZDUUFCI-LJQANCHMSA-N 0 0 322.408 3.643 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000189453271 337279885 /nfs/dbraw/zinc/27/98/85/337279885.db2.gz FCCQQEVRPRFXCA-GXFFZTMASA-N 0 0 320.389 3.703 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000189503161 337280066 /nfs/dbraw/zinc/28/00/66/337280066.db2.gz AFQYWEYGWBKBPM-AZUAARDMSA-N 0 0 313.441 3.721 10 0 DHAERN CCOc1ccccc1CNC(=O)N[C@@H](C)c1cccs1 ZINC000054604070 337280360 /nfs/dbraw/zinc/28/03/60/337280360.db2.gz ZNTXITANTWNVEG-LBPRGKRZSA-N 0 0 304.415 3.707 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCOc3c(C)cccc32)o1 ZINC000189779759 337282107 /nfs/dbraw/zinc/28/21/07/337282107.db2.gz GIDBPAYNCIPOMY-DZGCQCFKSA-N 0 0 314.385 3.780 10 0 DHAERN COc1ccnc(CN(C)[C@@H](C)c2ccc(Cl)cc2)c1OC ZINC000190315065 337286546 /nfs/dbraw/zinc/28/65/46/337286546.db2.gz LABKCTCDJZTQGL-LBPRGKRZSA-N 0 0 320.820 3.945 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000190627351 337289308 /nfs/dbraw/zinc/28/93/08/337289308.db2.gz CSQHUELDBXWIAW-MJVIPROJSA-N 0 0 315.335 3.698 10 0 DHAERN CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cn1 ZINC000190690060 337289605 /nfs/dbraw/zinc/28/96/05/337289605.db2.gz WWUZBEMADFWPBI-QGZVFWFLSA-N 0 0 311.429 3.540 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC([C@@H]2CCCO2)CC1 ZINC000191164803 337292587 /nfs/dbraw/zinc/29/25/87/337292587.db2.gz AGKZXCKJACMGPC-KSZLIROESA-N 0 0 305.462 3.620 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191407316 337296804 /nfs/dbraw/zinc/29/68/04/337296804.db2.gz LZTCMLPONKYPJY-KGLIPLIRSA-N 0 0 315.413 3.769 10 0 DHAERN COc1cccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c1F ZINC000192947644 337308622 /nfs/dbraw/zinc/30/86/22/337308622.db2.gz PMASTGKYORBHIZ-ZDUSSCGKSA-N 0 0 319.380 3.678 10 0 DHAERN CCc1nc([C@@H]2CN(CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232975 337309581 /nfs/dbraw/zinc/30/95/81/337309581.db2.gz NYHSRKAWHKOTNO-HOTGVXAUSA-N 0 0 320.481 3.513 10 0 DHAERN CC(C)(C)OC(=O)Nc1cc2c[nH]nc2cc1Br ZINC000584601067 337370805 /nfs/dbraw/zinc/37/08/05/337370805.db2.gz MSTCOTHOOSFIRZ-UHFFFAOYSA-N 0 0 312.167 3.672 10 0 DHAERN CCOC(=O)c1cc2c(Br)sc(C=O)c2s1 ZINC000584604568 337371281 /nfs/dbraw/zinc/37/12/81/337371281.db2.gz UURQQDQWSSTOSY-UHFFFAOYSA-N 0 0 319.201 3.715 10 0 DHAERN COc1ccc([C@@H](O)c2nc(C)cc3cc(OC)ccc32)cc1 ZINC000584619969 337371570 /nfs/dbraw/zinc/37/15/70/337371570.db2.gz QVTYLTIRYJADQU-LJQANCHMSA-N 0 0 309.365 3.642 10 0 DHAERN CSC(=S)Cc1ccccc1I ZINC000584606909 337371807 /nfs/dbraw/zinc/37/18/07/337371807.db2.gz QLXZJIAFRCVKML-UHFFFAOYSA-N 0 0 308.209 3.524 10 0 DHAERN Cc1[nH]c2nccc(N3CCOCC3)c2c1-c1cccc(F)c1 ZINC000584620087 337371893 /nfs/dbraw/zinc/37/18/93/337371893.db2.gz GLFPHQXWXSSVFY-UHFFFAOYSA-N 0 0 311.360 3.514 10 0 DHAERN CC(=O)Oc1ccc(C[C@H]2CCc3cc(OC(C)=O)ccc32)cc1 ZINC000584618118 337373194 /nfs/dbraw/zinc/37/31/94/337373194.db2.gz BRYRBQPWWWADQN-MRXNPFEDSA-N 0 0 324.376 3.810 10 0 DHAERN Cc1c2cc(F)cc(-c3ccc(F)c(F)c3)c2[nH]c1C(N)=O ZINC000584618136 337373210 /nfs/dbraw/zinc/37/32/10/337373210.db2.gz AXMSWFMQRYHRBP-UHFFFAOYSA-N 0 0 304.271 3.660 10 0 DHAERN CC(=O)N[C@@H](C)c1ccc2nc(-c3ccc(Cl)nc3)oc2c1 ZINC000584590988 337373449 /nfs/dbraw/zinc/37/34/49/337373449.db2.gz GNVGHQCDYHANOF-VIFPVBQESA-N 0 0 315.760 3.740 10 0 DHAERN Fc1ccc([C@H]2CNN=C2c2cccc(C(F)(F)F)c2)cc1 ZINC000584619521 337373914 /nfs/dbraw/zinc/37/39/14/337373914.db2.gz SRBXWSLAQMSDIS-CQSZACIVSA-N 0 0 308.278 3.936 10 0 DHAERN CCOc1cc2c(c3ccccc13)O[C@@H]1CCCC[C@@]1(O)O2 ZINC000584596796 337374334 /nfs/dbraw/zinc/37/43/34/337374334.db2.gz FCDIQTPCNROHJK-SJLPKXTDSA-N 0 0 300.354 3.641 10 0 DHAERN CC[C@H](c1ccccn1)[C@](C)(O)c1ccc(OC)c(OC)c1 ZINC000584629686 337376579 /nfs/dbraw/zinc/37/65/79/337376579.db2.gz OGLZDUOCSLXGSL-RDTXWAMCSA-N 0 0 301.386 3.500 10 0 DHAERN C[C@](O)(c1ccc(O)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000584629688 337376628 /nfs/dbraw/zinc/37/66/28/337376628.db2.gz OIAKROPZZAXBON-UXHICEINSA-N 0 0 305.377 3.827 10 0 DHAERN CO[C@@H]1C[C@H]2C3=CC[C@@H](O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@@]312 ZINC000584630690 337376845 /nfs/dbraw/zinc/37/68/45/337376845.db2.gz YHZTVEPLMSBZML-GLYLRCCYSA-N 0 0 302.458 3.935 10 0 DHAERN CCOC(=O)C(=O)CCCCc1ccc(N2CCCCC2)cc1 ZINC000584661271 337378346 /nfs/dbraw/zinc/37/83/46/337378346.db2.gz RMRBNNXHTUILEM-UHFFFAOYSA-N 0 0 317.429 3.522 10 0 DHAERN O=C(Nc1ccccc1)N1CCn2ncc(C3CCCC3)c2C1 ZINC000584648380 337380421 /nfs/dbraw/zinc/38/04/21/337380421.db2.gz HCKHPDKXUMHNST-UHFFFAOYSA-N 0 0 310.401 3.588 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000105847229 337386877 /nfs/dbraw/zinc/38/68/77/337386877.db2.gz WJPUITQPDSEEGF-LLVKDONJSA-N 0 0 323.849 3.729 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc(C)c(F)c3)C2)c1 ZINC000111705103 337389934 /nfs/dbraw/zinc/38/99/34/337389934.db2.gz HDFDTRPZYZRIQS-HNNXBMFYSA-N 0 0 316.380 3.508 10 0 DHAERN CCSc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000116047263 337392219 /nfs/dbraw/zinc/39/22/19/337392219.db2.gz GCIQJBMSVVKQJA-CYBMUJFWSA-N 0 0 302.399 3.764 10 0 DHAERN O=C(CCCOc1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116041547 337392281 /nfs/dbraw/zinc/39/22/81/337392281.db2.gz ZMTIVKMWCOUGGM-MRXNPFEDSA-N 0 0 317.360 3.941 10 0 DHAERN CC(C)(C)c1nc(CC(=O)N2CCC[C@@H]2c2ccco2)cs1 ZINC000116040160 337392289 /nfs/dbraw/zinc/39/22/89/337392289.db2.gz LDEAONAYJZYSRJ-CYBMUJFWSA-N 0 0 318.442 3.940 10 0 DHAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116048593 337392410 /nfs/dbraw/zinc/39/24/10/337392410.db2.gz OCAJEBZUVOVJDU-KRWDZBQOSA-N 0 0 313.397 3.973 10 0 DHAERN Cc1csc([C@@H]2CCCN(c3cc(C)nc(C4CC4)n3)C2)n1 ZINC000116260477 337392472 /nfs/dbraw/zinc/39/24/72/337392472.db2.gz MYDKYAYVXKOBRN-CQSZACIVSA-N 0 0 314.458 3.811 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2ccc3c4c(cccc42)CC3)C[C@@H](C)O1 ZINC000043906900 337394101 /nfs/dbraw/zinc/39/41/01/337394101.db2.gz BKAWIIQMNHZYQN-CHWSQXEVSA-N 0 0 310.397 3.580 10 0 DHAERN C[C@H](Cc1ccccc1F)NC(=O)N[C@@H](C)c1cccs1 ZINC000054621869 337394542 /nfs/dbraw/zinc/39/45/42/337394542.db2.gz NQEWCFTVGHKDMO-NEPJUHHUSA-N 0 0 306.406 3.879 10 0 DHAERN CCCCC[C@@H](C(=O)N1CCC(c2ccnn2C)CC1)C(C)C ZINC000119731139 337395042 /nfs/dbraw/zinc/39/50/42/337395042.db2.gz WWCFGKRUHXTRDD-QGZVFWFLSA-N 0 0 319.493 3.979 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(Br)cn1C ZINC000037496331 337395562 /nfs/dbraw/zinc/39/55/62/337395562.db2.gz QBGSOWBFPNIEJK-NSHDSACASA-N 0 0 321.218 3.587 10 0 DHAERN O=C(c1ccc(Cl)s1)N1CCC(Cc2ccccn2)CC1 ZINC000039307383 337396618 /nfs/dbraw/zinc/39/66/18/337396618.db2.gz UBSHJBJQVFNBFG-UHFFFAOYSA-N 0 0 320.845 3.891 10 0 DHAERN CC(C)n1ccnc1CNc1ccc(Br)cc1F ZINC000123764316 337401101 /nfs/dbraw/zinc/40/11/01/337401101.db2.gz ZOGXFXJFPZNNNZ-UHFFFAOYSA-N 0 0 312.186 3.978 10 0 DHAERN C[C@@H](NC(=O)C(=O)Nc1ccsc1)c1ccc2ccccc2c1 ZINC000124557622 337406098 /nfs/dbraw/zinc/40/60/98/337406098.db2.gz HAXYEJFXSYQTGP-GFCCVEGCSA-N 0 0 324.405 3.717 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)O1 ZINC000125225140 337410034 /nfs/dbraw/zinc/41/00/34/337410034.db2.gz KPCMSBZZDOLHHW-YVEFUNNKSA-N 0 0 321.380 3.736 10 0 DHAERN Cc1cccc2c(CC(=O)N3CCC[C@@H]3c3ccco3)c[nH]c21 ZINC000127151411 337419400 /nfs/dbraw/zinc/41/94/00/337419400.db2.gz XFRONXZHZRFLGW-MRXNPFEDSA-N 0 0 308.381 3.976 10 0 DHAERN Cc1cc(C)n([C@H](C)C(=O)N2CCCC[C@@H]2c2ccc(C)o2)n1 ZINC000127712539 337422140 /nfs/dbraw/zinc/42/21/40/337422140.db2.gz UKIKWYDTCBXSRY-HZPDHXFCSA-N 0 0 315.417 3.716 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)cc1F ZINC000048060165 337432360 /nfs/dbraw/zinc/43/23/60/337432360.db2.gz YZUFHIRZTLRPPP-NWDGAFQWSA-N 0 0 320.364 3.857 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)O1 ZINC000130278418 337432680 /nfs/dbraw/zinc/43/26/80/337432680.db2.gz AZVPYGUSNZTWJM-WFASDCNBSA-N 0 0 321.467 3.906 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(Oc2ccccc2)cc1 ZINC000130440237 337433186 /nfs/dbraw/zinc/43/31/86/337433186.db2.gz QSRGABCUZRLZPW-GASCZTMLSA-N 0 0 311.381 3.728 10 0 DHAERN C[C@H](N[C@@H]1CCSc2ccccc21)c1nnc2n1CCCC2 ZINC000130880981 337434742 /nfs/dbraw/zinc/43/47/42/337434742.db2.gz SZTYMVDFYVELCG-GXTWGEPZSA-N 0 0 314.458 3.502 10 0 DHAERN C[C@@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1nnc2n1CCCC2 ZINC000131096705 337436173 /nfs/dbraw/zinc/43/61/73/337436173.db2.gz PAUXWIDNTLIBGA-LSDHHAIUSA-N 0 0 324.472 3.905 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2sccc2OC)C12CCCC2 ZINC000134122151 337447758 /nfs/dbraw/zinc/44/77/58/337447758.db2.gz VINNQPAYDYUNTJ-ZIAGYGMSSA-N 0 0 323.458 3.567 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2sccc2OC)C12CCCC2 ZINC000134121729 337447777 /nfs/dbraw/zinc/44/77/77/337447777.db2.gz VINNQPAYDYUNTJ-UONOGXRCSA-N 0 0 323.458 3.567 10 0 DHAERN COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000134969104 337450148 /nfs/dbraw/zinc/45/01/48/337450148.db2.gz WYVPIKAUUAGVOL-RHSMWYFYSA-N 0 0 313.397 3.831 10 0 DHAERN CCC(CC)C(=O)NCCc1nc(-c2ccccc2)oc1C ZINC000062576073 337460169 /nfs/dbraw/zinc/46/01/69/337460169.db2.gz NLAZFCUCDRPLKP-UHFFFAOYSA-N 0 0 300.402 3.745 10 0 DHAERN Cn1c(CN[C@@H](c2ccc(Cl)cc2)C2CC2)nnc1C1CC1 ZINC000195055952 337464673 /nfs/dbraw/zinc/46/46/73/337464673.db2.gz UYFZUASPTNPKAL-MRXNPFEDSA-N 0 0 316.836 3.587 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000246055401 337509020 /nfs/dbraw/zinc/50/90/20/337509020.db2.gz VEPRRWOUEPIAAC-XFBWCDHKSA-N 0 0 315.804 3.532 10 0 DHAERN CC(C)[C@H](C)CC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000067924455 337544144 /nfs/dbraw/zinc/54/41/44/337544144.db2.gz WTKSWXFJBYKGNP-MLGOLLRUSA-N 0 0 311.372 3.547 10 0 DHAERN CC(C)[C@@H](C)CC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000069393897 337545788 /nfs/dbraw/zinc/54/57/88/337545788.db2.gz PVEWBVHMTHZEKV-AWEZNQCLSA-N 0 0 306.425 3.911 10 0 DHAERN Brc1cc(CN[C@@H]2COc3ccccc32)cs1 ZINC000070070185 337546301 /nfs/dbraw/zinc/54/63/01/337546301.db2.gz GQLQGFXJAJVXCB-LLVKDONJSA-N 0 0 310.216 3.734 10 0 DHAERN C[C@@H](NC(=O)Nc1ccn(C)n1)c1ccc(Cl)c(Cl)c1 ZINC000073364164 337549819 /nfs/dbraw/zinc/54/98/19/337549819.db2.gz SGDMGXXUTWGDQA-MRVPVSSYSA-N 0 0 313.188 3.610 10 0 DHAERN Cc1ccc(CCC(=O)N2CCC[C@@H]2c2nccs2)cc1 ZINC000074909363 337552819 /nfs/dbraw/zinc/55/28/19/337552819.db2.gz MMOFHTJQELTWQJ-OAHLLOKOSA-N 0 0 300.427 3.748 10 0 DHAERN C[C@@H](N[C@H]1CC[C@@H](C)c2ccccc21)c1nnc2n1CCCC2 ZINC000247220172 337558440 /nfs/dbraw/zinc/55/84/40/337558440.db2.gz WJGQUWROQACUHF-CPUCHLNUSA-N 0 0 310.445 3.904 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@@H](C)C3)C2)n1 ZINC000247226911 337558452 /nfs/dbraw/zinc/55/84/52/337558452.db2.gz WNEFFSMWECXZEW-BPLDGKMQSA-N 0 0 306.475 3.984 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCc3c2cnn3C)CC(C)(C)C1 ZINC000248573978 337567015 /nfs/dbraw/zinc/56/70/15/337567015.db2.gz OVSYSKMOLNNACM-YCPHGPKFSA-N 0 0 317.477 3.718 10 0 DHAERN C[C@]1(C(=O)N2CC[C@H](Cc3ccccc3)C2)CC1(Cl)Cl ZINC000076507876 337570575 /nfs/dbraw/zinc/57/05/75/337570575.db2.gz KSUBPMPRFSTGPK-UKRRQHHQSA-N 0 0 312.240 3.662 10 0 DHAERN CCC1CCC(NC(=O)N[C@H](CCCO)c2ccccc2)CC1 ZINC000077782308 337584463 /nfs/dbraw/zinc/58/44/63/337584463.db2.gz IZYVBMVHKZMRII-VMWRSERWSA-N 0 0 318.461 3.768 10 0 DHAERN CCS[C@@H]1CC[C@H](Nc2cncc(Br)c2)C1 ZINC000078585996 337602790 /nfs/dbraw/zinc/60/27/90/337602790.db2.gz ALXJFIIVUIWMMC-CMPLNLGQSA-N 0 0 301.253 3.930 10 0 DHAERN COc1ccc2oc(CN3CCCc4c(N)cccc43)cc2c1 ZINC000261956062 337613176 /nfs/dbraw/zinc/61/31/76/337613176.db2.gz GRJIJFXXOZBVHI-UHFFFAOYSA-N 0 0 308.381 3.976 10 0 DHAERN CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263054539 337623734 /nfs/dbraw/zinc/62/37/34/337623734.db2.gz LNZAQGDBOCWNQA-HZPDHXFCSA-N 0 0 307.409 3.942 10 0 DHAERN C[C@H](Cc1cccc(Cl)c1)[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000263413477 337628241 /nfs/dbraw/zinc/62/82/41/337628241.db2.gz MFWFDBWUPSLKDC-CXAGYDPISA-N 0 0 317.816 3.557 10 0 DHAERN CCC[C@@H]([NH2+][C@@H](C)COc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000263439247 337629172 /nfs/dbraw/zinc/62/91/72/337629172.db2.gz VVHZKQIMFLMVHN-TVQRCGJNSA-N 0 0 320.216 3.604 10 0 DHAERN Cc1ccnc([C@@H](C)[NH2+][C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000263534980 337631362 /nfs/dbraw/zinc/63/13/62/337631362.db2.gz YREMMCYWSZACAN-NVXWUHKLSA-N 0 0 312.413 3.517 10 0 DHAERN O=C(c1cc(Cl)ccc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000046486542 337836174 /nfs/dbraw/zinc/83/61/74/337836174.db2.gz XJKQBSUWMJEBLI-UONOGXRCSA-N 0 0 314.212 3.777 10 0 DHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCC2(CCC2)C1 ZINC000120039832 337869765 /nfs/dbraw/zinc/86/97/65/337869765.db2.gz VYHRSDZEHJQLHY-HNNXBMFYSA-N 0 0 304.821 3.913 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)cc1C ZINC000089918417 337875709 /nfs/dbraw/zinc/87/57/09/337875709.db2.gz XVUKRKHMZVDHRO-KPZWWZAWSA-N 0 0 309.365 3.701 10 0 DHAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1ccc(Cl)cc1 ZINC000058577621 337876642 /nfs/dbraw/zinc/87/66/42/337876642.db2.gz WMXVXRFLIMSIBZ-IAQYHMDHSA-N 0 0 316.788 3.834 10 0 DHAERN CCSc1ccccc1[C@H](C)N[C@H]1CCCn2nc(C)nc21 ZINC000090223720 337879337 /nfs/dbraw/zinc/87/93/37/337879337.db2.gz ASBXNDKCJRJDCR-WFASDCNBSA-N 0 0 316.474 3.884 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000120946414 337882161 /nfs/dbraw/zinc/88/21/61/337882161.db2.gz FHPHHLNUSATISH-WSTZPKSXSA-N 0 0 315.457 3.580 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)c1 ZINC000091171600 337890173 /nfs/dbraw/zinc/89/01/73/337890173.db2.gz FYJADUXDKYEPJF-OALUTQOASA-N 0 0 309.409 3.782 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N(C)CC2CCOCC2)cc1 ZINC000121622386 337896594 /nfs/dbraw/zinc/89/65/94/337896594.db2.gz WVDHRQHFWIMDCS-RTBURBONSA-N 0 0 315.457 3.799 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000121756393 337898721 /nfs/dbraw/zinc/89/87/21/337898721.db2.gz HLZLZZHCZKTIMZ-JTQLQIEISA-N 0 0 305.374 3.889 10 0 DHAERN Cc1ccc([C@@H](C)NS(=O)(=O)c2cccc3ccccc32)o1 ZINC000083978161 337999350 /nfs/dbraw/zinc/99/93/50/337999350.db2.gz AIPJSHWAQPLKKX-CYBMUJFWSA-N 0 0 315.394 3.781 10 0 DHAERN CC1(C)[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000085629858 338011038 /nfs/dbraw/zinc/01/10/38/338011038.db2.gz ZWHFUQKSOKUJLF-UPJWGTAASA-N 0 0 301.308 3.811 10 0 DHAERN O=C(c1cc(Cl)cc(Br)c1)N1C[C@H]2CCC[C@H]21 ZINC000437254697 338304770 /nfs/dbraw/zinc/30/47/70/338304770.db2.gz XATHYBFPRQGLDB-PRHODGIISA-N 0 0 314.610 3.727 10 0 DHAERN CCCCc1nnc(NC(=O)Nc2ccc(OCC)cc2)s1 ZINC000502691863 340110806 /nfs/dbraw/zinc/11/08/06/340110806.db2.gz BFESOPNAKVWHMY-UHFFFAOYSA-N 0 0 320.418 3.923 10 0 DHAERN C[C@@H](NCc1cnns1)c1c(Cl)ccc(F)c1Cl ZINC000400233506 340139504 /nfs/dbraw/zinc/13/95/04/340139504.db2.gz PKNYQMKSFDUOKQ-ZCFIWIBFSA-N 0 0 306.193 3.835 10 0 DHAERN C[C@@H]1CCN(C[C@@H](O)COCc2ccccc2)c2ccccc21 ZINC000303422242 340325121 /nfs/dbraw/zinc/32/51/21/340325121.db2.gz CSJWDORRZXBFMF-SJLPKXTDSA-N 0 0 311.425 3.578 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000172959009 340350040 /nfs/dbraw/zinc/35/00/40/340350040.db2.gz FFOWHNAEQYFBQG-CABCVRRESA-N 0 0 315.388 3.651 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)C[C@H](C)c1ccccc1 ZINC000172959493 340350042 /nfs/dbraw/zinc/35/00/42/340350042.db2.gz RVFJKWDPLGMSBY-IRXDYDNUSA-N 0 0 311.425 3.902 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)[C@@H](C)c1ccccc1F ZINC000172961822 340350218 /nfs/dbraw/zinc/35/02/18/340350218.db2.gz TVGNOLWFHQXVCX-CABCVRRESA-N 0 0 315.388 3.651 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccc(F)cc1 ZINC000174173674 340383518 /nfs/dbraw/zinc/38/35/18/340383518.db2.gz KPSVBPWIAOOASF-ZDUSSCGKSA-N 0 0 302.349 3.553 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1ccccc1F ZINC000174264848 340385096 /nfs/dbraw/zinc/38/50/96/340385096.db2.gz SBVQXZOTDKTSBR-ZDUSSCGKSA-N 0 0 302.349 3.553 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1 ZINC000174536910 340391201 /nfs/dbraw/zinc/39/12/01/340391201.db2.gz HRYIHLDPLWFPKD-HOTGVXAUSA-N 0 0 312.413 3.652 10 0 DHAERN C[C@H](CNC(=O)N[C@H](C)c1cccs1)Oc1ccccc1F ZINC000174820153 340396664 /nfs/dbraw/zinc/39/66/64/340396664.db2.gz FVHGLGGAXHGFAQ-VXGBXAGGSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C)c1cccc(Br)c1 ZINC000174898220 340398828 /nfs/dbraw/zinc/39/88/28/340398828.db2.gz XBFYRGYDPXCQKS-WDEREUQCSA-N 0 0 311.223 3.704 10 0 DHAERN CC(C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCCO1)c1cccc(Cl)c1 ZINC000175522872 340414591 /nfs/dbraw/zinc/41/45/91/340414591.db2.gz BBQIELCPYZIMBO-RCBQFDQVSA-N 0 0 309.837 3.763 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC000177888367 340444981 /nfs/dbraw/zinc/44/49/81/340444981.db2.gz DWUFOTDIODHIRA-KSSFIOAISA-N 0 0 311.381 3.772 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2c(C)cccc21 ZINC000177930864 340445638 /nfs/dbraw/zinc/44/56/38/340445638.db2.gz SNGXXZXVTFWYCZ-INIZCTEOSA-N 0 0 321.428 3.630 10 0 DHAERN C[C@@H](CNc1ccccc1)NC(=O)N[C@@H](C)c1cccs1 ZINC000178194475 340447688 /nfs/dbraw/zinc/44/76/88/340447688.db2.gz JDKFCJNNSHSLMF-STQMWFEESA-N 0 0 303.431 3.609 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2cccc(Cl)c2)C1 ZINC000228915635 340528079 /nfs/dbraw/zinc/52/80/79/340528079.db2.gz SQFGCRGOKQEVRZ-ZDUSSCGKSA-N 0 0 323.820 3.709 10 0 DHAERN Cc1cc(C)cc(C2=CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)c1 ZINC000189937192 340541252 /nfs/dbraw/zinc/54/12/52/340541252.db2.gz JPBUJVAJPUWDCD-VQIMIIECSA-N 0 0 313.441 3.734 10 0 DHAERN Cc1ccc([C@H](C)NCc2ccn(-c3ccc(F)cc3F)n2)o1 ZINC000190334826 340544294 /nfs/dbraw/zinc/54/42/94/340544294.db2.gz YTQVQQIKICCVOH-LBPRGKRZSA-N 0 0 317.339 3.903 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000191899846 340559984 /nfs/dbraw/zinc/55/99/84/340559984.db2.gz MQIGFAFEYCGPGR-MNOVXSKESA-N 0 0 311.784 3.573 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCS1 ZINC000192227950 340564816 /nfs/dbraw/zinc/56/48/16/340564816.db2.gz ONQLBHOGGQMCNC-GRYCIOLGSA-N 0 0 324.412 3.645 10 0 DHAERN Cc1c([C@H](C)NC(=O)OCC2CC2)cnn1-c1ccc(F)cc1 ZINC000192855422 340570370 /nfs/dbraw/zinc/57/03/70/340570370.db2.gz MSUBVEMKMVWNLM-NSHDSACASA-N 0 0 317.364 3.517 10 0 DHAERN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000193037818 340571807 /nfs/dbraw/zinc/57/18/07/340571807.db2.gz RXZBMHFRBQOGMW-OAHLLOKOSA-N 0 0 311.347 3.980 10 0 DHAERN C[C@@H](NC(=O)NCc1ccc2ncccc2c1)c1cccs1 ZINC000193930119 340586053 /nfs/dbraw/zinc/58/60/53/340586053.db2.gz NXMFOBOCDKYTIL-GFCCVEGCSA-N 0 0 311.410 3.857 10 0 DHAERN C[C@@H](NC(=O)N[C@H]1COc2ccccc21)c1ccc(Cl)cc1 ZINC000194705841 340594996 /nfs/dbraw/zinc/59/49/96/340594996.db2.gz WMXVXRFLIMSIBZ-ABAIWWIYSA-N 0 0 316.788 3.834 10 0 DHAERN Cc1ccc(-c2cc(C(=O)N[C@@H]3COc4ccccc43)on2)cc1 ZINC000194887493 340596942 /nfs/dbraw/zinc/59/69/42/340596942.db2.gz JSKSPIPUQYVDEX-MRXNPFEDSA-N 0 0 320.348 3.514 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000230042006 340617731 /nfs/dbraw/zinc/61/77/31/340617731.db2.gz XZXPVNLPCJWOQS-PSASIEDQSA-N 0 0 300.171 3.963 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000230042868 340617777 /nfs/dbraw/zinc/61/77/77/340617777.db2.gz ZYQOGJMTVGUBJY-BXUZGUMPSA-N 0 0 310.235 3.844 10 0 DHAERN COC(=O)[C@H](CC(C)C)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000036980181 340725838 /nfs/dbraw/zinc/72/58/38/340725838.db2.gz SRWKVDKRWFOKEW-YGRLFVJLSA-N 0 0 301.789 3.717 10 0 DHAERN C[C@@H]1C[C@H](Nc2ccc(NS(C)(=O)=O)cc2)CC(C)(C)C1 ZINC000037077028 340746622 /nfs/dbraw/zinc/74/66/22/340746622.db2.gz IUYXINSPBYFYDT-DOMZBBRYSA-N 0 0 310.463 3.685 10 0 DHAERN C[C@H](NC(=O)Nc1ccc(F)cn1)c1ccc(F)c(Cl)c1 ZINC000123355306 340748744 /nfs/dbraw/zinc/74/87/44/340748744.db2.gz YAHCWXKVLGJANP-QMMMGPOBSA-N 0 0 311.719 3.896 10 0 DHAERN CC1(C)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2O1 ZINC000124501286 340799432 /nfs/dbraw/zinc/79/94/32/340799432.db2.gz YBQVFMXOWADONG-UHFFFAOYSA-N 0 0 306.365 3.986 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)O1 ZINC000124909248 340801440 /nfs/dbraw/zinc/80/14/40/340801440.db2.gz QKLZPIGKBLJRGZ-UGSOOPFHSA-N 0 0 321.380 3.532 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)CCOCC(F)(F)F)c2ccccc21 ZINC000124969135 340801736 /nfs/dbraw/zinc/80/17/36/340801736.db2.gz XPDRJDFTNIDOLR-BXUZGUMPSA-N 0 0 315.335 3.710 10 0 DHAERN O=C(Nc1ccc(Br)cn1)c1ccc2cc[nH]c2c1 ZINC000070164912 340989294 /nfs/dbraw/zinc/98/92/94/340989294.db2.gz XSTWPPPLNZMFHL-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN Cc1c(C(=O)N2[C@H](C)COC[C@H]2C)oc2c1c(C)ccc2C ZINC000130833464 341048445 /nfs/dbraw/zinc/04/84/45/341048445.db2.gz WWBQHEXTJBAVIO-CHWSQXEVSA-N 0 0 301.386 3.607 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)CCOc2ccccc2)o1 ZINC000073017202 341112280 /nfs/dbraw/zinc/11/22/80/341112280.db2.gz OAELJBBWGKVMHJ-ZFWWWQNUSA-N 0 0 301.386 3.870 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000131848437 341112597 /nfs/dbraw/zinc/11/25/97/341112597.db2.gz ATWXBNCMLCGSEP-VXGBXAGGSA-N 0 0 302.340 3.920 10 0 DHAERN COc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434203 341116572 /nfs/dbraw/zinc/11/65/72/341116572.db2.gz RACHOGUHRRVJMU-GHMZBOCLSA-N 0 0 301.308 3.546 10 0 DHAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000074547102 341148070 /nfs/dbraw/zinc/14/80/70/341148070.db2.gz LJTSWOFGWGBAKY-DLBZAZTESA-N 0 0 322.493 3.500 10 0 DHAERN COCCC1(CNC(=O)[C@@H]2C[C@H]2C2CCCCC2)CCCC1 ZINC000133159467 341159140 /nfs/dbraw/zinc/15/91/40/341159140.db2.gz AVTULFRJASTZGL-DLBZAZTESA-N 0 0 307.478 3.916 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000076938495 341215945 /nfs/dbraw/zinc/21/59/45/341215945.db2.gz HXQBCOZUTIJDBR-LTCOOKNTSA-N 0 0 301.430 3.549 10 0 DHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc(C(C)(C)C)cc1 ZINC000077002872 341216871 /nfs/dbraw/zinc/21/68/71/341216871.db2.gz KZAVPJBCUZJTGT-PBHICJAKSA-N 0 0 318.461 3.866 10 0 DHAERN COc1ccc([C@H](C)C(=O)N(C)[C@H](C)c2cccc(O)c2)cc1 ZINC000137037768 341271023 /nfs/dbraw/zinc/27/10/23/341271023.db2.gz YZSLJLHEBAKALT-UONOGXRCSA-N 0 0 313.397 3.724 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N(C)[C@@H](C)c2cccc(O)c2)cc1 ZINC000137037720 341271051 /nfs/dbraw/zinc/27/10/51/341271051.db2.gz YZSLJLHEBAKALT-KGLIPLIRSA-N 0 0 313.397 3.724 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245447512 341294552 /nfs/dbraw/zinc/29/45/52/341294552.db2.gz MDMHHNJHJNMPGO-AEGPPILISA-N 0 0 307.384 3.963 10 0 DHAERN Fc1cc(CN2CCO[C@@H]3CCCC[C@H]32)ccc1OC(F)F ZINC000245542546 341300932 /nfs/dbraw/zinc/30/09/32/341300932.db2.gz PZESPBWGPVAOQI-UKRRQHHQSA-N 0 0 315.335 3.571 10 0 DHAERN C[C@@H]1CC[C@@H](CCC(=O)N[C@H]2CCCc3cc(F)ccc32)O1 ZINC000245881122 341317299 /nfs/dbraw/zinc/31/72/99/341317299.db2.gz IEDZJMKGTRQAJY-PVUWLOKVSA-N 0 0 305.393 3.667 10 0 DHAERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000246070303 341323680 /nfs/dbraw/zinc/32/36/80/341323680.db2.gz SCCZCOSRYQLJPI-ATLSCFEFSA-N 0 0 301.430 3.862 10 0 DHAERN Cc1ccccc1[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)C(C)C ZINC000246613887 341354338 /nfs/dbraw/zinc/35/43/38/341354338.db2.gz LWAGBTALJNQHMH-USXIJHARSA-N 0 0 304.434 3.559 10 0 DHAERN CC1(C)CCCC[C@@H]1CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000246657103 341355191 /nfs/dbraw/zinc/35/51/91/341355191.db2.gz KNDNMHXCFRXIEZ-GJYPPUQNSA-N 0 0 307.478 3.747 10 0 DHAERN Cc1cc(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)on1 ZINC000140056061 341359267 /nfs/dbraw/zinc/35/92/67/341359267.db2.gz VITBCAJCNVANQN-ZDUSSCGKSA-N 0 0 309.369 3.697 10 0 DHAERN CC[C@H](OC1CCCC1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247149232 341361559 /nfs/dbraw/zinc/36/15/59/341361559.db2.gz YHXJBYKCMSUHPS-DYEKYZERSA-N 0 0 321.383 3.962 10 0 DHAERN C[C@@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000247274914 341363057 /nfs/dbraw/zinc/36/30/57/341363057.db2.gz DQJPFXBLSFWMAO-OAGGEKHMSA-N 0 0 311.429 3.876 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC000247390846 341364175 /nfs/dbraw/zinc/36/41/75/341364175.db2.gz GPGFCFBGZVNHCN-GRYCIOLGSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)O1 ZINC000248114363 341373377 /nfs/dbraw/zinc/37/33/77/341373377.db2.gz COZAXGOWBDUOGK-WKPIXPDZSA-N 0 0 311.372 3.736 10 0 DHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000248198331 341374640 /nfs/dbraw/zinc/37/46/40/341374640.db2.gz XUTWPYMQHZVTRZ-BARDWOONSA-N 0 0 311.347 3.712 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000248574789 341380283 /nfs/dbraw/zinc/38/02/83/341380283.db2.gz OZZXVJZEDNKBQE-KLICCBINSA-N 0 0 315.457 3.940 10 0 DHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000248617588 341381668 /nfs/dbraw/zinc/38/16/68/341381668.db2.gz BBAJIFDCOKUJOM-MGPQQGTHSA-N 0 0 321.383 3.773 10 0 DHAERN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000249712641 341400362 /nfs/dbraw/zinc/40/03/62/341400362.db2.gz ZBBOQVKNOVQERF-DVOMOZLQSA-N 0 0 309.837 3.545 10 0 DHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000253280637 341452810 /nfs/dbraw/zinc/45/28/10/341452810.db2.gz VOHVTRUIJLDSMV-HLLBOEOZSA-N 0 0 303.446 3.674 10 0 DHAERN COc1ccccc1[C@@H](C)NC(=O)c1cccc2c1CCCN2 ZINC000261966123 341510457 /nfs/dbraw/zinc/51/04/57/341510457.db2.gz YLOSERSYNPOFJF-CYBMUJFWSA-N 0 0 310.397 3.544 10 0 DHAERN CC(C)CSCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000153259945 341531993 /nfs/dbraw/zinc/53/19/93/341531993.db2.gz KZOBWKDWECKVNJ-AWEZNQCLSA-N 0 0 310.463 3.905 10 0 DHAERN COc1ccccc1-c1cccc(NC(=O)[C@H]2CC[C@H](C)O2)c1 ZINC000153903332 341581144 /nfs/dbraw/zinc/58/11/44/341581144.db2.gz WDCNCMJVEJYPFY-SCLBCKFNSA-N 0 0 311.381 3.868 10 0 DHAERN COc1ccccc1-c1cccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c1 ZINC000153903438 341581156 /nfs/dbraw/zinc/58/11/56/341581156.db2.gz WDCNCMJVEJYPFY-ACJLOTCBSA-N 0 0 311.381 3.868 10 0 DHAERN CC(C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000158697095 341662696 /nfs/dbraw/zinc/66/26/96/341662696.db2.gz IMIGJULOUNLVGU-CABCVRRESA-N 0 0 314.433 3.667 10 0 DHAERN CC(C)Oc1ccc([C@H](C)NC(=O)N2CCS[C@H](C)C2)cc1 ZINC000171739547 341783993 /nfs/dbraw/zinc/78/39/93/341783993.db2.gz RRKXPYHKGFEMIB-KGLIPLIRSA-N 0 0 322.474 3.682 10 0 DHAERN COc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)CC2 ZINC000172802539 341809978 /nfs/dbraw/zinc/80/99/78/341809978.db2.gz YSDKBQSUNWIIDV-RTBURBONSA-N 0 0 313.441 3.796 10 0 DHAERN CC[C@@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccncc1 ZINC000175295088 341836765 /nfs/dbraw/zinc/83/67/65/341836765.db2.gz ZGKYOXKCOJQGNC-QWHCGFSZSA-N 0 0 315.339 3.517 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)NCc1csc(Br)c1 ZINC000342396230 341837254 /nfs/dbraw/zinc/83/72/54/341837254.db2.gz NODDEUOIVVMKIP-SCZZXKLOSA-N 0 0 302.237 3.563 10 0 DHAERN COC[C@H](C)C(=O)N(c1cccc(C(F)(F)F)c1)C(C)C ZINC000159340669 522545547 /nfs/dbraw/zinc/54/55/47/522545547.db2.gz KXXGVNULYJJAPQ-NSHDSACASA-N 0 0 303.324 3.729 10 0 DHAERN O=C(Nc1ccc(F)c(Cl)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000151364912 518200980 /nfs/dbraw/zinc/20/09/80/518200980.db2.gz KWHLMRCPCOHKAR-UHFFFAOYSA-N 0 0 322.771 3.614 10 0 DHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000182305924 518438220 /nfs/dbraw/zinc/43/82/20/518438220.db2.gz DXPKWNDQVOIWIT-XAVZPLJISA-N 0 0 323.440 3.594 10 0 DHAERN CC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109083721 518442969 /nfs/dbraw/zinc/44/29/69/518442969.db2.gz MOZVYRXYDVFUBQ-CABCVRRESA-N 0 0 315.319 3.910 10 0 DHAERN CC(C)(C)n1cc(CN[C@@H]2c3ccccc3CCC2(C)C)nn1 ZINC000191472224 519161521 /nfs/dbraw/zinc/16/15/21/519161521.db2.gz CRFSBOQXPVPAHG-QGZVFWFLSA-N 0 0 312.461 3.836 10 0 DHAERN CC(C)OCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129716200 519756186 /nfs/dbraw/zinc/75/61/86/519756186.db2.gz PUXGTCLUQLEYTJ-MRXNPFEDSA-N 0 0 317.429 3.754 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000181935330 519759862 /nfs/dbraw/zinc/75/98/62/519759862.db2.gz UWHZRETXBAZBDX-QGZVFWFLSA-N 0 0 304.434 3.568 10 0 DHAERN CCC1CCC(NC(=O)N(C)C[C@@H](C)c2nccs2)CC1 ZINC000182263328 519854813 /nfs/dbraw/zinc/85/48/13/519854813.db2.gz VYNXGSQOCUPBGN-IYXRBSQSSA-N 0 0 309.479 3.857 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)N(C)C(C)C)C2)n1 ZINC000190796236 519857469 /nfs/dbraw/zinc/85/74/69/519857469.db2.gz JPZPXYMXKLVHIH-ZDUSSCGKSA-N 0 0 309.479 3.906 10 0 DHAERN CC(C)c1nnc(CN[C@@H](C)c2ccc3ccccc3c2)n1C ZINC000181507929 519887860 /nfs/dbraw/zinc/88/78/60/519887860.db2.gz JDMXBRUMPBBJNX-AWEZNQCLSA-N 0 0 308.429 3.943 10 0 DHAERN CC(C)n1cccc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000123036041 520012530 /nfs/dbraw/zinc/01/25/30/520012530.db2.gz WASMHDUZIOCPBQ-ZDUSSCGKSA-N 0 0 303.431 3.893 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ncccc2C)C12CCCC2 ZINC000172689477 520403017 /nfs/dbraw/zinc/40/30/17/520403017.db2.gz PXIQWCAYBMTFJF-LSDHHAIUSA-N 0 0 317.433 3.592 10 0 DHAERN CC1(C)C[C@H](NC(=O)Nc2nccs2)c2ccccc2O1 ZINC000152103982 520551464 /nfs/dbraw/zinc/55/14/64/520551464.db2.gz OJYKDSISKBELAN-NSHDSACASA-N 0 0 303.387 3.567 10 0 DHAERN CCC[C@@H](NCc1nnc(C(C)C)n1C)c1ccc(F)cc1F ZINC000181677210 520786004 /nfs/dbraw/zinc/78/60/04/520786004.db2.gz IVZBVGNKWNEDSL-OAHLLOKOSA-N 0 0 322.403 3.848 10 0 DHAERN CCOc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000180649193 521391282 /nfs/dbraw/zinc/39/12/82/521391282.db2.gz XBFOVVGBZAXKEO-MRXNPFEDSA-N 0 0 314.389 3.568 10 0 DHAERN CCCN(C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157596639 521462455 /nfs/dbraw/zinc/46/24/55/521462455.db2.gz JOAAZXUKXOWNJJ-HNNXBMFYSA-N 0 0 302.418 3.874 10 0 DHAERN CCCc1nc(CN[C@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000181721856 521517243 /nfs/dbraw/zinc/51/72/43/521517243.db2.gz BBWDKJHSTFACJY-GFCCVEGCSA-N 0 0 318.442 3.718 10 0 DHAERN CCCn1c(C)nnc1CN1CCCC[C@@H]1c1ccc(C)o1 ZINC000159298576 521622506 /nfs/dbraw/zinc/62/25/06/521622506.db2.gz PBSINRBEEBMUTL-OAHLLOKOSA-N 0 0 302.422 3.625 10 0 DHAERN CCOc1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109100421 521624583 /nfs/dbraw/zinc/62/45/83/521624583.db2.gz KVEWSMONNJYLQF-NEPJUHHUSA-N 0 0 318.323 3.501 10 0 DHAERN CC[C@@H](C)CC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000191436623 521943418 /nfs/dbraw/zinc/94/34/18/521943418.db2.gz JPWXCJFIRKWKBS-IUODEOHRSA-N 0 0 319.474 3.910 10 0 DHAERN CC[C@@H](C)CC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 ZINC000191436595 521945481 /nfs/dbraw/zinc/94/54/81/521945481.db2.gz JPWXCJFIRKWKBS-DOMZBBRYSA-N 0 0 319.474 3.910 10 0 DHAERN COC(=O)c1ccc(CN2CCCC[C@@H]2c2nccs2)s1 ZINC000163326902 522007501 /nfs/dbraw/zinc/00/75/01/522007501.db2.gz KWUVSAIKEQBQAR-GFCCVEGCSA-N 0 0 322.455 3.718 10 0 DHAERN CCc1cnc(CN(C)C(=O)N[C@H](C)c2cccs2)s1 ZINC000177335361 522016834 /nfs/dbraw/zinc/01/68/34/522016834.db2.gz KEKXTYRQSOXOLV-SNVBAGLBSA-N 0 0 309.460 3.670 10 0 DHAERN COCCc1ccccc1NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000189466794 522022522 /nfs/dbraw/zinc/02/25/22/522022522.db2.gz VZWIEEDHSVXPOY-CYBMUJFWSA-N 0 0 302.374 3.660 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)N(CC)C(C)C)C2)n1 ZINC000162788231 522114531 /nfs/dbraw/zinc/11/45/31/522114531.db2.gz ILBGLUPGYLJQHD-CYBMUJFWSA-N 0 0 309.479 3.735 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)C(C)(Cl)Cl)C2)n1 ZINC000180405396 522117453 /nfs/dbraw/zinc/11/74/53/522117453.db2.gz HIVCEECPXDDCID-VIFPVBQESA-N 0 0 321.273 3.605 10 0 DHAERN COC[C@@H](C)C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000103360860 522176629 /nfs/dbraw/zinc/17/66/29/522176629.db2.gz RCNHXUWAQYEMDV-CQSZACIVSA-N 0 0 323.396 3.531 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000103358643 522178748 /nfs/dbraw/zinc/17/87/48/522178748.db2.gz NHXOBOWULZAWCV-SECBINFHSA-N 0 0 310.806 3.685 10 0 DHAERN CC[C@@H](C)OCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000156153436 522240881 /nfs/dbraw/zinc/24/08/81/522240881.db2.gz WQUKPJWBGFEXOV-KGLIPLIRSA-N 0 0 324.490 3.788 10 0 DHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000123540241 522958018 /nfs/dbraw/zinc/95/80/18/522958018.db2.gz PAWHHXSEHNMSSC-DZGCQCFKSA-N 0 0 301.390 3.837 10 0 DHAERN COCc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000127797826 522972859 /nfs/dbraw/zinc/97/28/59/522972859.db2.gz ABNWVZAJBNFWFN-INIZCTEOSA-N 0 0 315.417 3.677 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182568767 523152893 /nfs/dbraw/zinc/15/28/93/523152893.db2.gz DXJYKVHPSVXKIG-QGZVFWFLSA-N 0 0 318.852 3.891 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1cccc(C)c1)C(C)(C)C ZINC000180788585 523156191 /nfs/dbraw/zinc/15/61/91/523156191.db2.gz QREJMNPPCFNOHQ-KRWDZBQOSA-N 0 0 300.450 3.792 10 0 DHAERN CCn1c2ccccc2nc1[C@@H](C)NCc1csc(C)n1 ZINC000237221317 523293416 /nfs/dbraw/zinc/29/34/16/523293416.db2.gz QGIBUXFXBSWIMG-LLVKDONJSA-N 0 0 300.431 3.672 10 0 DHAERN CO[C@@H](C(=O)N[C@@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000157687134 523328405 /nfs/dbraw/zinc/32/84/05/523328405.db2.gz ALDXYRBDJVQQMZ-QZTJIDSGSA-N 0 0 313.372 3.707 10 0 DHAERN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000191079612 523826822 /nfs/dbraw/zinc/82/68/22/523826822.db2.gz VVJDKFNDCUTZFS-ZIAGYGMSSA-N 0 0 317.335 3.975 10 0 DHAERN CO[C@H](C)c1noc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608169 523922283 /nfs/dbraw/zinc/92/22/83/523922283.db2.gz BVKMVYQCIKBPIF-CHWSQXEVSA-N 0 0 317.433 3.925 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)NC[C@H](C)c2nccs2)cc1 ZINC000182805504 524022765 /nfs/dbraw/zinc/02/27/65/524022765.db2.gz WNHFOGUEKDWAEH-QWHCGFSZSA-N 0 0 317.458 3.869 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)O1 ZINC000157523869 524384049 /nfs/dbraw/zinc/38/40/49/524384049.db2.gz JVHIFGSAQVABIP-MEDUHNTESA-N 0 0 307.365 3.653 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)NCCc2ccccn2)c2ccccc21 ZINC000178938576 524695196 /nfs/dbraw/zinc/69/51/96/524695196.db2.gz WIJVZEUIVSYNQW-KDOFPFPSSA-N 0 0 309.413 3.562 10 0 DHAERN C[C@H](Cc1ccsc1)N(C)c1nnc(C(F)(F)F)s1 ZINC000155303530 524758546 /nfs/dbraw/zinc/75/85/46/524758546.db2.gz CCGGZJAJUDAWJI-SSDOTTSWSA-N 0 0 307.366 3.686 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc(NC(N)=O)cc2)CC(C)(C)C1 ZINC000182997101 524772148 /nfs/dbraw/zinc/77/21/48/524772148.db2.gz FKLREHZVADXFPJ-NWDGAFQWSA-N 0 0 303.406 3.578 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000180709389 524841690 /nfs/dbraw/zinc/84/16/90/524841690.db2.gz DNHKGQOAOMDSMZ-INIZCTEOSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCCO[C@@H]2C)c1C ZINC000188037116 524848888 /nfs/dbraw/zinc/84/88/88/524848888.db2.gz LCRKLMUQALNYIV-NXHRZFHOSA-N 0 0 301.430 3.782 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151678263 524896026 /nfs/dbraw/zinc/89/60/26/524896026.db2.gz GCTPBVUDEJTKPY-SUMWQHHRSA-N 0 0 322.836 3.807 10 0 DHAERN C[C@@H](Cc1ccccc1F)C(=O)N[C@H]1CCOc2ccccc21 ZINC000172384527 524920487 /nfs/dbraw/zinc/92/04/87/524920487.db2.gz ZCIUQZUKWSQPDP-GUYCJALGSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000191128103 525013723 /nfs/dbraw/zinc/01/37/23/525013723.db2.gz XLFCUVKTIUGHOS-SKDRFNHKSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000191466040 525015385 /nfs/dbraw/zinc/01/53/85/525015385.db2.gz WHMAJDMPELKWAI-OCCSQVGLSA-N 0 0 322.836 3.694 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000189958468 525016302 /nfs/dbraw/zinc/01/63/02/525016302.db2.gz ZLEFHUJYLQKJJE-CZUORRHYSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000188490670 525017512 /nfs/dbraw/zinc/01/75/12/525017512.db2.gz NDGSSDHIJHIXEC-CZUORRHYSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(F)c(F)c1 ZINC000190184235 525035490 /nfs/dbraw/zinc/03/54/90/525035490.db2.gz JURQNTDFWHZXAY-MNOVXSKESA-N 0 0 314.401 3.563 10 0 DHAERN C[C@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCCO1 ZINC000103307003 525051969 /nfs/dbraw/zinc/05/19/69/525051969.db2.gz CIEUCORVGUMMSA-WFASDCNBSA-N 0 0 322.836 3.586 10 0 DHAERN C[C@@H](NC(=O)C1=CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000185352069 525060767 /nfs/dbraw/zinc/06/07/67/525060767.db2.gz MOIMDUKCVGVESZ-CYBMUJFWSA-N 0 0 301.386 3.526 10 0 DHAERN C[C@@H](NC(=O)CCc1ccccc1N)c1ccc(Cl)s1 ZINC000228105673 525093311 /nfs/dbraw/zinc/09/33/11/525093311.db2.gz GZLWVMKKGNTAKL-SNVBAGLBSA-N 0 0 308.834 3.794 10 0 DHAERN COc1ccc([C@@H](C)C(=O)NC[C@H](C)Cc2cccs2)cc1 ZINC000156362906 525117212 /nfs/dbraw/zinc/11/72/12/525117212.db2.gz YXEZGDLJDJKEAI-ZIAGYGMSSA-N 0 0 317.454 3.855 10 0 DHAERN COc1ccc([C@@H](C)CC(=O)N2CCCc3c(N)cccc32)cc1 ZINC000237473898 525121939 /nfs/dbraw/zinc/12/19/39/525121939.db2.gz BDCLZPDTTPUYPL-AWEZNQCLSA-N 0 0 324.424 3.750 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)Nc2ccsc2)cc1OC ZINC000177696338 525139539 /nfs/dbraw/zinc/13/95/39/525139539.db2.gz OOPCXOMBENGWPW-SNVBAGLBSA-N 0 0 306.387 3.648 10 0 DHAERN Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N[C@H]1C[C@@H]1C ZINC000170825389 525246709 /nfs/dbraw/zinc/24/67/09/525246709.db2.gz CEFLUVTWIQGQDJ-BBRMVZONSA-N 0 0 323.396 3.777 10 0 DHAERN COc1ccc([C@H](C)CNc2cccc(-c3ncn(C)n3)c2)cc1 ZINC000153502447 525297630 /nfs/dbraw/zinc/29/76/30/525297630.db2.gz JBABNCOBLWMSRE-CQSZACIVSA-N 0 0 322.412 3.706 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1csc2ccccc12 ZINC000188743525 525554729 /nfs/dbraw/zinc/55/47/29/525554729.db2.gz LHOSTLMNKSSHSR-JSGCOSHPSA-N 0 0 303.427 3.675 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000190261624 525557057 /nfs/dbraw/zinc/55/70/57/525557057.db2.gz DOVLREMUJGXGPH-WPRPVWTQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000188944012 525557940 /nfs/dbraw/zinc/55/79/40/525557940.db2.gz QECAZEXZFYZADL-ZFWWWQNUSA-N 0 0 303.402 3.762 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000190097288 525559039 /nfs/dbraw/zinc/55/90/39/525559039.db2.gz HCIIBUIZZJUOMT-WCBMZHEXSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H](N[C@H]1CCCn2ncnc21)c1cccc(Cl)c1Cl ZINC000164656888 525616848 /nfs/dbraw/zinc/61/68/48/525616848.db2.gz DDMDGRKBVPPRFK-CABZTGNLSA-N 0 0 311.216 3.771 10 0 DHAERN Cc1cc2cc(NC(=O)[C@H](Cc3ccccc3)N(C)C)ccc2[nH]1 ZINC000106905422 525646383 /nfs/dbraw/zinc/64/63/83/525646383.db2.gz FTKJEIXTPFAZMQ-IBGZPJMESA-N 0 0 321.424 3.588 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000136874558 525654769 /nfs/dbraw/zinc/65/47/69/525654769.db2.gz IAIRNIPPVONTLU-JQWIXIFHSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)c1cccc(O)c1 ZINC000246135839 525700015 /nfs/dbraw/zinc/70/00/15/525700015.db2.gz JXNVKNYSUYEEKP-ZIAGYGMSSA-N 0 0 312.417 3.592 10 0 DHAERN Cc1ccc([C@@H](C)NCc2cccc(C(=O)NCC(C)C)c2)o1 ZINC000182598298 525734807 /nfs/dbraw/zinc/73/48/07/525734807.db2.gz JFDGYSNDHZLPQN-OAHLLOKOSA-N 0 0 314.429 3.825 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H](C)c2c(C)n[nH]c2C)o1 ZINC000131939586 525799818 /nfs/dbraw/zinc/79/98/18/525799818.db2.gz YADPNZDFFPIEHG-DOMZBBRYSA-N 0 0 315.417 3.785 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)c2c(C)n[nH]c2C)o1 ZINC000131939205 525800890 /nfs/dbraw/zinc/80/08/90/525800890.db2.gz YADPNZDFFPIEHG-WFASDCNBSA-N 0 0 315.417 3.785 10 0 DHAERN Cc1c(F)cccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180696120 525807653 /nfs/dbraw/zinc/80/76/53/525807653.db2.gz CKOBRXLESDDIEB-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN C[C@@H](O)c1nc2ccccc2n1Cc1nc(C(C)(C)C)cs1 ZINC000181498078 525882951 /nfs/dbraw/zinc/88/29/51/525882951.db2.gz FQWAUZUYADADLH-LLVKDONJSA-N 0 0 315.442 3.892 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2csc(C(F)(F)F)n2)o1 ZINC000188941932 525915268 /nfs/dbraw/zinc/91/52/68/525915268.db2.gz AYUFOTZGYUHBBO-ZETCQYMHSA-N 0 0 304.293 3.554 10 0 DHAERN CSc1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171509495 526029099 /nfs/dbraw/zinc/02/90/99/526029099.db2.gz RRWZDFRPPRKIHD-HNNXBMFYSA-N 0 0 316.430 3.511 10 0 DHAERN C[C@H](C1CC1)N(C(=O)N[C@@H](C)c1ccc(F)c(F)c1)C1CC1 ZINC000173251555 526198137 /nfs/dbraw/zinc/19/81/37/526198137.db2.gz GVXFHZPKTDURRV-WDEREUQCSA-N 0 0 308.372 3.998 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1ccccn1)[C@H](C)C2 ZINC000180858572 526203613 /nfs/dbraw/zinc/20/36/13/526203613.db2.gz SJXKVMLMGPFBML-QWQRMKEZSA-N 0 0 309.413 3.684 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)n1C(C)C ZINC000113891847 526243504 /nfs/dbraw/zinc/24/35/04/526243504.db2.gz LRKYVLHTKIMERB-QGZVFWFLSA-N 0 0 314.433 3.776 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)sc1C ZINC000173438770 526248695 /nfs/dbraw/zinc/24/86/95/526248695.db2.gz HISNJBAVMAKGCX-GFCCVEGCSA-N 0 0 319.430 3.849 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3C)C2)c1 ZINC000111709782 526266053 /nfs/dbraw/zinc/26/60/53/526266053.db2.gz FJDANGHVWAEKAQ-OAHLLOKOSA-N 0 0 316.380 3.508 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3c(F)cccc3Cl)C2)c1 ZINC000106225670 526266234 /nfs/dbraw/zinc/26/62/34/526266234.db2.gz JHASPMNXJYEXTP-CYBMUJFWSA-N 0 0 307.800 3.821 10 0 DHAERN Cc1nnc([C@@H](C)N[C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429531 526397062 /nfs/dbraw/zinc/39/70/62/526397062.db2.gz BFFVCVJSGDDYFW-CHWSQXEVSA-N 0 0 303.406 3.825 10 0 DHAERN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccccc2C)n1 ZINC000183954634 526403685 /nfs/dbraw/zinc/40/36/85/526403685.db2.gz NSHQZPBPZZIGEF-JSGCOSHPSA-N 0 0 317.458 3.924 10 0 DHAERN O=C(CCc1ccc(O)cc1)N1CCCC[C@H]1c1nccs1 ZINC000180085709 526592431 /nfs/dbraw/zinc/59/24/31/526592431.db2.gz DOZOISNTGCRJTC-HNNXBMFYSA-N 0 0 316.426 3.535 10 0 DHAERN O=C(NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccon1 ZINC000156692157 526626324 /nfs/dbraw/zinc/62/63/24/526626324.db2.gz HOULSNUBRJYPQW-KCJUWKMLSA-N 0 0 311.168 3.515 10 0 DHAERN O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000131483710 526685614 /nfs/dbraw/zinc/68/56/14/526685614.db2.gz PBFWQJABGMVXNH-CQSZACIVSA-N 0 0 307.756 3.570 10 0 DHAERN Cc1nc2ccccc2n1C(F)(F)[C@@H](O)c1ccc(F)cc1 ZINC000057354402 527162486 /nfs/dbraw/zinc/16/24/86/527162486.db2.gz SCMAXNWFWBAULN-HNNXBMFYSA-N 0 0 306.287 3.767 10 0 DHAERN O=C(Nc1ccc2n[nH]cc2c1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109083793 527266578 /nfs/dbraw/zinc/26/65/78/527266578.db2.gz VGJUEWOTOSKQQO-STQMWFEESA-N 0 0 313.307 3.583 10 0 DHAERN O=C(Nc1ccc2c(c1)CCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180607991 527270927 /nfs/dbraw/zinc/27/09/27/527270927.db2.gz CSFCTQMGBGOHEO-QGZVFWFLSA-N 0 0 310.401 3.658 10 0 DHAERN Cn1cc([C@H]2CCN(c3nc(-c4ccccc4)cs3)C2)cn1 ZINC000127540344 527319410 /nfs/dbraw/zinc/31/94/10/527319410.db2.gz HLDSNTSWOUUGSR-AWEZNQCLSA-N 0 0 310.426 3.538 10 0 DHAERN Nc1ccc2c(c1)CCC[C@H]2NC(=O)c1ccccc1Cl ZINC000158126494 527506121 /nfs/dbraw/zinc/50/61/21/527506121.db2.gz JSMBSLUSWBEJAQ-MRXNPFEDSA-N 0 0 300.789 3.730 10 0 DHAERN FC(F)(F)c1cnc(NCCC2=CCOCC2)c(Cl)c1 ZINC000158030856 527689608 /nfs/dbraw/zinc/68/96/08/527689608.db2.gz MIBWQVYTMYGLGO-UHFFFAOYSA-N 0 0 306.715 3.903 10 0 DHAERN CC(C)(C)OC(=O)N1CCc2c(N)ccc(C(F)(F)F)c2C1 ZINC000536952032 563889799 /nfs/dbraw/zinc/88/97/99/563889799.db2.gz AAQBPTJKKOLKPL-UHFFFAOYSA-N 0 0 316.323 3.581 10 0 DHAERN COc1ccc([C@@H]2c3cc4c(cc3OC(=O)C2C)OCO4)cc1 ZINC000000044300 563211629 /nfs/dbraw/zinc/21/16/29/563211629.db2.gz PNPGVAQOFQTFCI-QGZVFWFLSA-N 0 0 312.321 3.738 10 0 DHAERN CC1=CN(c2ccccc2)C(=O)N(c2ccc3c(c2)OCO3)N1C ZINC000000401043 563251183 /nfs/dbraw/zinc/25/11/83/563251183.db2.gz VXXNMYFOTRTKAI-UHFFFAOYSA-N 0 0 323.352 3.570 10 0 DHAERN CNC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 ZINC000005525957 563329958 /nfs/dbraw/zinc/32/99/58/563329958.db2.gz HXBIKXSRZGPORM-UHFFFAOYSA-N 0 0 301.752 3.580 10 0 in-vitro DHAERN C[C@H](Nc1ccc(Cl)cc1Cl)C(=O)Nc1nccs1 ZINC000008390179 563346663 /nfs/dbraw/zinc/34/66/63/563346663.db2.gz NFWCBWRBVODJQL-ZETCQYMHSA-N 0 0 316.213 3.889 10 0 DHAERN Cc1nn(C(C)C)cc1NCc1ccc(O)c(Br)c1 ZINC000725242611 563525713 /nfs/dbraw/zinc/52/57/13/563525713.db2.gz MFKLIZFPTHEWDM-UHFFFAOYSA-N 0 0 324.222 3.853 10 0 DHAERN Cc1cc2nc(C(F)F)nn2c(Br)c1C(C)C ZINC000725248628 563526973 /nfs/dbraw/zinc/52/69/73/563526973.db2.gz YSHWMTNADBMJBS-UHFFFAOYSA-N 0 0 304.138 3.861 10 0 DHAERN CSCCSCC(=O)c1ccccc1Br ZINC000320472650 563559858 /nfs/dbraw/zinc/55/98/58/563559858.db2.gz ZYPUEHTVOXHQIR-UHFFFAOYSA-N 0 0 305.262 3.728 10 0 DHAERN Oc1cc2c(Br)cccc2nc1[C@@H]1CCCOC1 ZINC000725267384 563573902 /nfs/dbraw/zinc/57/39/02/563573902.db2.gz BZSBHDVQOLJWSW-SECBINFHSA-N 0 0 308.175 3.597 10 0 DHAERN CCCOc1c(OC)cc(/C=C/C(=O)OC(C)(C)C)cc1OC ZINC000725273936 563579118 /nfs/dbraw/zinc/57/91/18/563579118.db2.gz WLWHFBKEARZHMF-CMDGGOBGSA-N 0 0 322.401 3.848 10 0 DHAERN O=C(c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1Cl ZINC000003093339 563635414 /nfs/dbraw/zinc/63/54/14/563635414.db2.gz PUKUFPNJAYLZDQ-UHFFFAOYSA-N 0 0 309.148 3.996 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H](CCO)c1ccc(C(F)(F)F)cc1 ZINC000310006042 563675789 /nfs/dbraw/zinc/67/57/89/563675789.db2.gz VMJSTSKBRFBBHW-LBPRGKRZSA-N 0 0 319.323 3.654 10 0 DHAERN Cc1ccc(CNCc2sncc2Br)s1 ZINC000669379922 563870104 /nfs/dbraw/zinc/87/01/04/563870104.db2.gz MSVBNPYKEVCAKT-UHFFFAOYSA-N 0 0 303.250 3.565 10 0 DHAERN C[C@@H](NC(=O)c1cc(-c2ccncc2)cn1C)c1ccccc1 ZINC000075508837 563878410 /nfs/dbraw/zinc/87/84/10/563878410.db2.gz WRMXTERSFJJGDR-CQSZACIVSA-N 0 0 305.381 3.578 10 0 DHAERN CC(C)Cc1cc(C(=O)N2CCCC23CCCCCC3)[nH]n1 ZINC000170591694 563906697 /nfs/dbraw/zinc/90/66/97/563906697.db2.gz CHARSYSAYACWSE-UHFFFAOYSA-N 0 0 303.450 3.937 10 0 DHAERN Cc1ccc(-c2csc(NC(=O)CCc3cccnc3)n2)o1 ZINC000170599890 563907483 /nfs/dbraw/zinc/90/74/83/563907483.db2.gz PGRZMNRVKRECAU-UHFFFAOYSA-N 0 0 313.382 3.678 10 0 DHAERN CCOC(=O)c1c(C)nc(C(F)(F)Br)cc1CC ZINC000675082374 563911409 /nfs/dbraw/zinc/91/14/09/563911409.db2.gz ZFDNYJUMDSBIDR-UHFFFAOYSA-N 0 0 322.149 3.573 10 0 DHAERN O=c1[nH]c2ccc(Br)cc2cc1Cc1ccccc1 ZINC000096319454 563936384 /nfs/dbraw/zinc/93/63/84/563936384.db2.gz NYAOVIBBTKTYMI-UHFFFAOYSA-N 0 0 314.182 3.881 10 0 DHAERN Cc1ccc(Cl)cc1N1CCN(c2ccc(N)cc2F)CC1 ZINC000020135727 563961676 /nfs/dbraw/zinc/96/16/76/563961676.db2.gz VSGRGLASFJWXFL-UHFFFAOYSA-N 0 0 319.811 3.696 10 0 DHAERN Cc1cc(NC(=O)c2ccc(F)cc2)cc(Br)c1O ZINC000226242903 568420685 /nfs/dbraw/zinc/42/06/85/568420685.db2.gz FFWFCJRYOQOJET-UHFFFAOYSA-N 0 0 324.149 3.855 10 0 DHAERN CC1(C(=O)[O-])CC[NH+](CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000722133940 955193394 /nfs/dbraw/zinc/19/33/94/955193394.db2.gz XAAXCRYZXPJOOF-UHFFFAOYSA-N 0 0 316.228 3.723 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722136145 955193992 /nfs/dbraw/zinc/19/39/92/955193992.db2.gz QYBXKCXRROHRPV-ZYHUDNBSSA-N 0 0 316.228 3.721 10 0 DHAERN Cc1ccccc1[C@H]1CCCN1C(=O)C[C@@H](O)c1ccccc1 ZINC000091170891 1032436106 /nfs/dbraw/zinc/43/61/06/1032436106.db2.gz MQSLXLFQJWDBSE-RTBURBONSA-N 0 0 309.409 3.782 10 0 DHAERN O=C(Nc1ccc(F)cc1Br)[C@H]1C[C@@H]1c1ccco1 ZINC000049374620 1025708735 /nfs/dbraw/zinc/70/87/35/1025708735.db2.gz LUVZCPLRXUXAIB-UWVGGRQHSA-N 0 0 324.149 3.923 10 0 DHAERN CCS[C@H](C(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000067046756 1030520351 /nfs/dbraw/zinc/52/03/51/1030520351.db2.gz WNEDQJNNCFGGKC-OLZOCXBDSA-N 0 0 312.504 3.627 10 0 DHAERN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067047521 1030520650 /nfs/dbraw/zinc/52/06/50/1030520650.db2.gz ORLLIMMRUSWMGT-CQSZACIVSA-N 0 0 311.410 3.644 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)ccc1F ZINC000067048610 1030522946 /nfs/dbraw/zinc/52/29/46/1030522946.db2.gz JAFSLXWEWLLUGI-CYBMUJFWSA-N 0 0 304.390 3.610 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1Cc1ncc(-c2ccccc2Cl)o1 ZINC000075766243 1030687354 /nfs/dbraw/zinc/68/73/54/1030687354.db2.gz HCZUXXFPLDCAGE-VXGBXAGGSA-N 0 0 306.793 3.604 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C)oc3C)C2)cc1 ZINC000078187341 1030921721 /nfs/dbraw/zinc/92/17/21/1030921721.db2.gz RVFAXDJPVUJCJR-WBMJQRKESA-N 0 0 313.397 3.923 10 0 DHAERN O=C(Nc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000190202735 334925036 /nfs/dbraw/zinc/92/50/36/334925036.db2.gz ZPULSJBBPWVVSX-AWEZNQCLSA-N 0 0 324.302 3.687 10 0 DHAERN Cc1nc(CN2C[C@@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726215 185036306 /nfs/dbraw/zinc/03/63/06/185036306.db2.gz BSYRUGCZJSZXAN-INIZCTEOSA-N 0 0 302.443 3.804 10 0 DHAERN CC(C)c1cc(OC2CC2)ccc1I ZINC000095725111 185383327 /nfs/dbraw/zinc/38/33/27/185383327.db2.gz BQMSQUMCWLQKNL-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN CC(C)(C)c1nccc(I)c1OC1CC1 ZINC000095726541 185383357 /nfs/dbraw/zinc/38/33/57/185383357.db2.gz ICQAKEWNDAQJLF-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Oc1cccc(I)c1OC1CCCCC1 ZINC000095723225 185383359 /nfs/dbraw/zinc/38/33/59/185383359.db2.gz QTBAYLQPJMINRG-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CC(C)(C)c1cnc(I)c(OC2CC2)c1 ZINC000095724341 185383437 /nfs/dbraw/zinc/38/34/37/185383437.db2.gz OHNCKEZCEPEMSO-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Fc1ccccc1-c1nnc2sc(/C=C\c3cccnc3)nn21 ZINC000096834541 185389254 /nfs/dbraw/zinc/38/92/54/185389254.db2.gz NZJUNKYFUXQBGB-FPLPWBNLSA-N 0 0 323.356 3.557 10 0 DHAERN Brc1ccc(Cn2ccnc2-c2ccccn2)cc1 ZINC000082739383 185199805 /nfs/dbraw/zinc/19/98/05/185199805.db2.gz LCUOZOIKFHBGHW-UHFFFAOYSA-N 0 0 314.186 3.756 10 0 DHAERN CCOc1ccc([C@@H](O)c2cccs2)cc1Br ZINC000083162956 185215310 /nfs/dbraw/zinc/21/53/10/185215310.db2.gz INBGILVCRPNKAS-CYBMUJFWSA-N 0 0 313.216 3.991 10 0 DHAERN CCCCc1nc(Cl)c(CNc2ccc(CCO)cc2)[nH]1 ZINC000088399069 185248524 /nfs/dbraw/zinc/24/85/24/185248524.db2.gz MAMJYVGGHOOHEE-UHFFFAOYSA-N 0 0 307.825 3.553 10 0 DHAERN CCCC(CCC)C(=O)N1NC(=O)C[C@@H]1c1ccc(C)cc1 ZINC000090416145 185295233 /nfs/dbraw/zinc/29/52/33/185295233.db2.gz WSNCAPNVDODUKV-MRXNPFEDSA-N 0 0 302.418 3.516 10 0 DHAERN C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 ZINC000090461111 185297545 /nfs/dbraw/zinc/29/75/45/185297545.db2.gz NEEVPXUVFILXTJ-GDBMZVCRSA-N 0 0 309.413 3.964 10 0 DHAERN O=C(c1c[nH]c2ncc(Br)cc12)c1ccccc1 ZINC000090550586 185302466 /nfs/dbraw/zinc/30/24/66/185302466.db2.gz RVCJKCKAFYUWBZ-UHFFFAOYSA-N 0 0 301.143 3.556 10 0 DHAERN O=C1CS[C@@H](c2ccccc2F)N1Cc1ccccc1F ZINC000090558698 185303406 /nfs/dbraw/zinc/30/34/06/185303406.db2.gz PMSXNLXWEASXJJ-INIZCTEOSA-N 0 0 305.349 3.739 10 0 DHAERN O=C(CNc1nc(Cl)c(N2CCCC2)s1)c1ccccc1 ZINC000090624264 185307271 /nfs/dbraw/zinc/30/72/71/185307271.db2.gz ZVTVHMAWPSDKEB-UHFFFAOYSA-N 0 0 321.833 3.692 10 0 DHAERN O=C1CCN(CCc2ccccc2)C[C@H]1CCc1ccccc1 ZINC000090659447 185308302 /nfs/dbraw/zinc/30/83/02/185308302.db2.gz MCJHCPCZIBZRPH-HXUWFJFHSA-N 0 0 307.437 3.753 10 0 DHAERN Cc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)s1 ZINC000092811931 185343425 /nfs/dbraw/zinc/34/34/25/185343425.db2.gz HWXUDFPLSZOTMD-OAHLLOKOSA-N 0 0 316.474 3.712 10 0 DHAERN Cc1ccsc1CN1CCCC[C@@H]1c1nnc2n1CCCC2 ZINC000092812169 185343598 /nfs/dbraw/zinc/34/35/98/185343598.db2.gz DGQKHWFMOQALSP-CQSZACIVSA-N 0 0 316.474 3.712 10 0 DHAERN CCn1cc(C2CCN(Cc3c(F)cccc3F)CC2)cn1 ZINC000092809386 185343098 /nfs/dbraw/zinc/34/30/98/185343098.db2.gz MFZCSXROTOUEKN-UHFFFAOYSA-N 0 0 305.372 3.561 10 0 DHAERN O=C(N[C@@H]1CCCc2c(O)cccc21)c1scnc1C1CC1 ZINC000190325109 334947859 /nfs/dbraw/zinc/94/78/59/334947859.db2.gz FAXSFEKLFCSIBR-CYBMUJFWSA-N 0 0 314.410 3.534 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cccs1 ZINC000041174440 190667979 /nfs/dbraw/zinc/66/79/79/190667979.db2.gz VISAHGHYQVYIAC-CQSZACIVSA-N 0 0 301.411 3.740 10 0 DHAERN CNc1ccc2nc(-c3cc(OC)c(OC)c(OC)c3)oc2c1 ZINC000226271973 201770815 /nfs/dbraw/zinc/77/08/15/201770815.db2.gz RLNBOHVLMQYQAO-UHFFFAOYSA-N 0 0 314.341 3.562 10 0 DHAERN Cc1cc(C)cc(OCC(=O)Nc2c(N)cccc2Cl)c1 ZINC000226359121 201777914 /nfs/dbraw/zinc/77/79/14/201777914.db2.gz NYVDGVSDKXPRDS-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN CC(=O)C1C(=O)N[C@@]23CCCC[C@H]2[C@@H]1c1cc(Cl)ccc1O3 ZINC000226660448 201784930 /nfs/dbraw/zinc/78/49/30/201784930.db2.gz GPUFUHHFUPADPT-HZSKXVJLSA-N 0 0 319.788 3.664 10 0 DHAERN CC(C)(C)n1nccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109101571 185552099 /nfs/dbraw/zinc/55/20/99/185552099.db2.gz QGDXAADLGRXIMU-NEPJUHHUSA-N 0 0 319.355 3.659 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2COc2ccccc2)O1 ZINC000150734267 186061364 /nfs/dbraw/zinc/06/13/64/186061364.db2.gz ZQARLFXDXIHDTK-RDTXWAMCSA-N 0 0 311.381 3.772 10 0 DHAERN FC(F)(F)Oc1cccc(COc2cncc(Cl)n2)c1 ZINC000072266603 191089549 /nfs/dbraw/zinc/08/95/49/191089549.db2.gz DJZYDXMNCZURPV-UHFFFAOYSA-N 0 0 304.655 3.608 10 0 DHAERN O=c1[nH]c(NC2CCCCC2)nc2nccc(-c3ccccc3)c21 ZINC000072440040 191167508 /nfs/dbraw/zinc/16/75/08/191167508.db2.gz DPVHTIWRQPJKRU-UHFFFAOYSA-N 0 0 320.396 3.730 10 0 DHAERN Cc1ccccc1NC(=S)N1CCCn2c3ccccc3nc21 ZINC000072465401 191173971 /nfs/dbraw/zinc/17/39/71/191173971.db2.gz DVMQTUSZMZXAOH-UHFFFAOYSA-N 0 0 322.437 3.952 10 0 DHAERN C[C@H](NC(=O)NC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000080634583 192175288 /nfs/dbraw/zinc/17/52/88/192175288.db2.gz ZEGGSPQMJDKBMU-AWEZNQCLSA-N 0 0 312.417 3.565 10 0 DHAERN CCCCN(C)C(=O)c1c2c(sc1NC(C)=O)C[C@@H](C)CC2 ZINC000001933820 180902935 /nfs/dbraw/zinc/90/29/35/180902935.db2.gz OAGSRXYPQHWHBA-NSHDSACASA-N 0 0 322.474 3.703 10 0 DHAERN C[C@@H](c1cccc(C(F)(F)F)c1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000003760679 181045365 /nfs/dbraw/zinc/04/53/65/181045365.db2.gz RWUXYYDBYCSGMF-JTQLQIEISA-N 0 0 301.308 3.563 10 0 DHAERN Cc1c(-c2cccc(NC(=O)c3ccco3)c2)nc2ncccn12 ZINC000004033213 181065271 /nfs/dbraw/zinc/06/52/71/181065271.db2.gz MXYVBSXWDFKDDB-UHFFFAOYSA-N 0 0 318.336 3.550 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)c1ccc(C)c(C)c1 ZINC000004281428 181092417 /nfs/dbraw/zinc/09/24/17/181092417.db2.gz ANSDSNHRVUWYNB-UHFFFAOYSA-N 0 0 303.383 3.794 10 0 DHAERN COc1ccc(-c2cc(=O)[nH]c(-c3cccc(Cl)c3)n2)cc1 ZINC000073696363 191342942 /nfs/dbraw/zinc/34/29/42/191342942.db2.gz HDPAJSRCGTVONR-UHFFFAOYSA-N 0 0 312.756 3.766 10 0 DHAERN Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000078307884 191846091 /nfs/dbraw/zinc/84/60/91/191846091.db2.gz SYWZYFXTDIRCIZ-CYBMUJFWSA-N 0 0 321.424 3.990 10 0 DHAERN CCc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cc1 ZINC000005397681 181239186 /nfs/dbraw/zinc/23/91/86/181239186.db2.gz UFFMCQABLRYLIF-UHFFFAOYSA-N 0 0 304.393 3.829 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H](CSCc2cccnc2)C1 ZINC000085333043 192491158 /nfs/dbraw/zinc/49/11/58/192491158.db2.gz BSQWZRZMJDJWDG-OAHLLOKOSA-N 0 0 322.474 3.962 10 0 DHAERN CCOc1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000005654086 181268147 /nfs/dbraw/zinc/26/81/47/181268147.db2.gz RJCWEQLUZMPAIH-NNLJJJQZSA-N 0 0 317.429 3.802 10 0 DHAERN COc1ccc([C@H](C)C(=O)N(C)CCc2cccs2)cc1 ZINC000081297336 192246377 /nfs/dbraw/zinc/24/63/77/192246377.db2.gz PQUIFHFXBPAXEG-ZDUSSCGKSA-N 0 0 303.427 3.561 10 0 DHAERN CCOc1ccccc1CCC(=O)N1CCCc2c(N)cccc21 ZINC000236906881 202065252 /nfs/dbraw/zinc/06/52/52/202065252.db2.gz SKQNBLHOTJUCOW-UHFFFAOYSA-N 0 0 324.424 3.580 10 0 DHAERN Cc1ccc(N)c(Nc2ccc(I)cc2)c1 ZINC000087149532 192625782 /nfs/dbraw/zinc/62/57/82/192625782.db2.gz UBAKRPAJSXQJAV-UHFFFAOYSA-N 0 0 324.165 3.925 10 0 DHAERN CCNC(=O)OCCOc1ccc(Oc2ccccc2)cc1 ZINC000005852500 181290034 /nfs/dbraw/zinc/29/00/34/181290034.db2.gz OEXTUDPAZJZQSK-UHFFFAOYSA-N 0 0 301.342 3.604 10 0 DHAERN C/C(=C/c1ccccc1)C(=O)Nc1nnc(CC(C)C)s1 ZINC000005859613 181290512 /nfs/dbraw/zinc/29/05/12/181290512.db2.gz XNFLCZQMLDZMJR-BENRWUELSA-N 0 0 301.415 3.779 10 0 DHAERN CC[C@@H](C)Oc1cc(=O)[nH]c(Sc2cccc(Cl)c2)n1 ZINC000005884707 181292870 /nfs/dbraw/zinc/29/28/70/181292870.db2.gz KHMJZVOYEGSHAZ-SECBINFHSA-N 0 0 310.806 3.752 10 0 DHAERN COc1cc(C)ccc1NC(=O)c1ccc(SC)cc1OC ZINC000005927827 181297324 /nfs/dbraw/zinc/29/73/24/181297324.db2.gz MPMJTUOIYMAYHF-UHFFFAOYSA-N 0 0 317.410 3.986 10 0 DHAERN CCOC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000006047392 181308049 /nfs/dbraw/zinc/30/80/49/181308049.db2.gz LNQIXUQWVYPZFV-VIFPVBQESA-N 0 0 311.403 3.618 10 0 DHAERN C[C@]12C[C@H](F)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000006067561 181310059 /nfs/dbraw/zinc/31/00/59/181310059.db2.gz GTWXLVLNOBGGBN-QHTZCDKYSA-N 0 0 308.437 3.907 10 0 DHAERN CC(C)c1ccc2c(c1O)CC[C@H]1C3=C(CC[C@@]21C)C(=O)OC3 ZINC000006257186 181323147 /nfs/dbraw/zinc/32/31/47/181323147.db2.gz KPXIBWGPZSPABK-PXNSSMCTSA-N 0 0 312.409 3.983 10 0 DHAERN CCOC(=O)c1ccc(NC(=O)/C(C)=C/c2ccccc2)cc1 ZINC000006386914 181336199 /nfs/dbraw/zinc/33/61/99/181336199.db2.gz HADXPBWPOHYGPB-BUHFOSPRSA-N 0 0 309.365 3.905 10 0 DHAERN Cn1c(CSCc2c(F)cccc2Cl)nnc1C1CC1 ZINC000091026926 192971712 /nfs/dbraw/zinc/97/17/12/192971712.db2.gz ZGPJRYHOJWWLLV-UHFFFAOYSA-N 0 0 311.813 3.918 10 0 DHAERN Cn1c(CSCc2nc(C(C)(C)C)cs2)nnc1C1CC1 ZINC000091036551 192974083 /nfs/dbraw/zinc/97/40/83/192974083.db2.gz MIBUNZLMZLLCGI-UHFFFAOYSA-N 0 0 322.503 3.880 10 0 DHAERN CCc1nnc(CSCc2ccc(SC)c(OC)c2)n1C ZINC000091029881 192973382 /nfs/dbraw/zinc/97/33/82/192973382.db2.gz DCDAXXWYPNFFPD-UHFFFAOYSA-N 0 0 323.487 3.541 10 0 DHAERN CN(C)C(=O)CC1(CC(=O)Nc2ccccc2Cl)CCCC1 ZINC000006711703 181376184 /nfs/dbraw/zinc/37/61/84/181376184.db2.gz BLVBIEDSACHQCD-UHFFFAOYSA-N 0 0 322.836 3.707 10 0 DHAERN Cc1ccc(Cn2nc(C)n3c(cc4cc(C)ccc43)c2=O)cc1 ZINC000006803343 181391329 /nfs/dbraw/zinc/39/13/29/181391329.db2.gz GJHOAUQHQYCNJF-UHFFFAOYSA-N 0 0 317.392 3.623 10 0 DHAERN CC(=O)c1ccc(NC(=O)Cc2noc3ccc(C)cc23)cc1 ZINC000006839421 181397827 /nfs/dbraw/zinc/39/78/27/181397827.db2.gz XXIAPSSURAZVPR-UHFFFAOYSA-N 0 0 308.337 3.520 10 0 DHAERN COc1cc(Cl)cc(Cl)c1I ZINC000091690863 193091478 /nfs/dbraw/zinc/09/14/78/193091478.db2.gz QAVIKJDKZDNHRJ-UHFFFAOYSA-N 0 0 302.926 3.607 10 0 DHAERN COc1ccc([C@@H](C)NCc2nc(C)c(C)s2)cc1OC ZINC000091959987 193132190 /nfs/dbraw/zinc/13/21/90/193132190.db2.gz CFDGLOFJRDUSNH-LLVKDONJSA-N 0 0 306.431 3.628 10 0 DHAERN COc1ccc([C@H](C)NCc2nc(C)c(C)s2)cc1OC ZINC000091959986 193132789 /nfs/dbraw/zinc/13/27/89/193132789.db2.gz CFDGLOFJRDUSNH-NSHDSACASA-N 0 0 306.431 3.628 10 0 DHAERN CNc1ccc(Br)cc1C(=O)N1CCCCCC1 ZINC000255187316 202906351 /nfs/dbraw/zinc/90/63/51/202906351.db2.gz CSOIDJMCHWJDGO-UHFFFAOYSA-N 0 0 311.223 3.507 10 0 DHAERN O=S(=O)(c1ccccc1)n1ccc2cc(F)cc(Cl)c21 ZINC000257354547 203067937 /nfs/dbraw/zinc/06/79/37/203067937.db2.gz YKZKWBCXDNUGJZ-UHFFFAOYSA-N 0 0 309.749 3.671 10 0 DHAERN N[C@@H]1c2ccsc2N=CN1c1cccc(Br)c1 ZINC000257351036 203069308 /nfs/dbraw/zinc/06/93/08/203069308.db2.gz BTNTUUZARXLUEV-NSHDSACASA-N 0 0 308.204 3.648 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](CCOCc2cccnc2)C1 ZINC000095085200 193419686 /nfs/dbraw/zinc/41/96/86/193419686.db2.gz CAJWAPRJNUWNJO-OAHLLOKOSA-N 0 0 320.433 3.635 10 0 DHAERN CC(C)(C)OC(=O)NCc1cc(C=O)cc(C(F)(F)F)c1 ZINC000095764649 193448629 /nfs/dbraw/zinc/44/86/29/193448629.db2.gz VTUMATGUTVYYGV-UHFFFAOYSA-N 0 0 303.280 3.543 10 0 DHAERN O=Cc1ccc(-c2ccc(I)s2)cc1 ZINC000095935475 193450247 /nfs/dbraw/zinc/45/02/47/193450247.db2.gz AARNABIOUIXXNF-UHFFFAOYSA-N 0 0 314.147 3.832 10 0 DHAERN CCCCN1C[C@H](C(=O)Nc2ccccc2[C@@H](C)CC)CC1=O ZINC000008271033 181542361 /nfs/dbraw/zinc/54/23/61/181542361.db2.gz WWUNQCIPUOBVDB-LSDHHAIUSA-N 0 0 316.445 3.787 10 0 DHAERN CCCCCCN1c2ccc(Cl)cc2C2(OCCCO2)C1=O ZINC000008046655 181522576 /nfs/dbraw/zinc/52/25/76/181522576.db2.gz GNCRSKGSEFHPKH-UHFFFAOYSA-N 0 0 323.820 3.857 10 0 DHAERN Cc1cc(C(=O)Nc2nc3ccc4ccccc4c3s2)nn1C ZINC000009001693 181596725 /nfs/dbraw/zinc/59/67/25/181596725.db2.gz KPKUNTQQVXUMIB-UHFFFAOYSA-N 0 0 322.393 3.744 10 0 DHAERN CC[C@H](C)Oc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 ZINC000009266501 181610881 /nfs/dbraw/zinc/61/08/81/181610881.db2.gz MOVYUZNHTRBTAV-NSHDSACASA-N 0 0 308.447 3.723 10 0 DHAERN CCC(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2C)s1 ZINC000010888019 181680324 /nfs/dbraw/zinc/68/03/24/181680324.db2.gz IDGXHFVTPBXULU-LBPRGKRZSA-N 0 0 304.415 3.527 10 0 DHAERN COc1c2ccc(=O)oc2c2ccoc2c1OCC=C(C)C ZINC000013323043 181842809 /nfs/dbraw/zinc/84/28/09/181842809.db2.gz QYROBYWPUVLPTM-UHFFFAOYSA-N 0 0 300.310 3.893 10 0 biogenic,in-vitro DHAERN O=C(c1ccc(F)c(F)c1)N1CCCC(c2ccccc2)=N1 ZINC000013744718 181888240 /nfs/dbraw/zinc/88/82/40/181888240.db2.gz YAFBUYLGFUEMRI-UHFFFAOYSA-N 0 0 300.308 3.605 10 0 DHAERN CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1cc(C)ccc1C ZINC000014023866 181921019 /nfs/dbraw/zinc/92/10/19/181921019.db2.gz YQNYCCDZXWWGHD-UNOMPAQXSA-N 0 0 322.408 3.728 10 0 DHAERN Clc1ncnc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000015440728 182002445 /nfs/dbraw/zinc/00/24/45/182002445.db2.gz JCVHPWRWESERHZ-UHFFFAOYSA-N 0 0 315.829 3.903 10 0 DHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000015769052 182014920 /nfs/dbraw/zinc/01/49/20/182014920.db2.gz YRZBBEWNSSCUGV-QMMMGPOBSA-N 0 0 311.307 3.788 10 0 DHAERN O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1cccc(Cl)c1 ZINC000016591510 182051221 /nfs/dbraw/zinc/05/12/21/182051221.db2.gz ZVVRFIHDKRQAJN-JTQLQIEISA-N 0 0 320.742 3.553 10 0 DHAERN CC[C@@H](C(=O)Nc1c(C)cccc1C)n1nnc2ccccc21 ZINC000016896472 182062201 /nfs/dbraw/zinc/06/22/01/182062201.db2.gz OINAAOGCJVWUNP-HNNXBMFYSA-N 0 0 308.385 3.638 10 0 DHAERN CC[C@H](C(=O)Nc1c(C)cccc1C)n1nnc2ccccc21 ZINC000016896473 182062290 /nfs/dbraw/zinc/06/22/90/182062290.db2.gz OINAAOGCJVWUNP-OAHLLOKOSA-N 0 0 308.385 3.638 10 0 DHAERN NC(=S)c1cccc(OCc2ccccc2Br)c1 ZINC000019436363 182123146 /nfs/dbraw/zinc/12/31/46/182123146.db2.gz TXVSABXOJNDITP-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN NC(=S)CCCOc1ccc(Cl)cc1Br ZINC000019423777 182122383 /nfs/dbraw/zinc/12/23/83/182122383.db2.gz HXCGYPPGZKSVQJ-UHFFFAOYSA-N 0 0 308.628 3.548 10 0 DHAERN Cc1ccc(N)c(C)c1NC(=O)c1ccccc1Br ZINC000019486420 182125409 /nfs/dbraw/zinc/12/54/09/182125409.db2.gz REFSPNZBUNHPQJ-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(O)cc2)c(Br)c1 ZINC000019515406 182127429 /nfs/dbraw/zinc/12/74/29/182127429.db2.gz LSJJQBXWXMSGNM-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN C[C@H](Nc1ccc(C(N)=O)cc1)c1ccc(Br)cc1 ZINC000019911327 182163988 /nfs/dbraw/zinc/16/39/88/182163988.db2.gz RZZZZSZTEJIKOE-JTQLQIEISA-N 0 0 319.202 3.721 10 0 DHAERN NC(=S)c1ccc(Nc2ccc(Br)cc2)cc1 ZINC000019866878 182158594 /nfs/dbraw/zinc/15/85/94/182158594.db2.gz LASIHUZUXSMZMT-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN Nc1ccc2c(c1)N(Cc1ccc(F)cc1Br)CC2 ZINC000019875145 182159209 /nfs/dbraw/zinc/15/92/09/182159209.db2.gz DIINWRAFBFBZJT-UHFFFAOYSA-N 0 0 321.193 3.733 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1c(F)cccc1Cl)CCC2 ZINC000020182774 182195119 /nfs/dbraw/zinc/19/51/19/182195119.db2.gz YWFCMUJSGNPRMC-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN Nc1cccc(CCC(=O)Nc2cccc(Br)c2)c1 ZINC000020187213 182195767 /nfs/dbraw/zinc/19/57/67/182195767.db2.gz XZBSOXADVNUHLF-UHFFFAOYSA-N 0 0 319.202 3.603 10 0 DHAERN CCCNC(=O)c1ccc(-c2noc(-c3ccccc3)n2)s1 ZINC000021713317 182284559 /nfs/dbraw/zinc/28/45/59/182284559.db2.gz HRJOOBDUYPJSFI-UHFFFAOYSA-N 0 0 313.382 3.605 10 0 DHAERN COc1ccc(OCc2cccc(Br)c2)c(N)c1 ZINC000022162010 182311779 /nfs/dbraw/zinc/31/17/79/182311779.db2.gz HJHCIGSOXSYYTM-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(Br)cc2)c1N ZINC000022169892 182311835 /nfs/dbraw/zinc/31/18/35/182311835.db2.gz XLNCQBYCKUYPOX-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CCOC(=O)c1cnn2c1nc(-c1ccc(Cl)cc1)cc2C ZINC000098179825 193791497 /nfs/dbraw/zinc/79/14/97/193791497.db2.gz ZEZJVGLEGSEPNZ-UHFFFAOYSA-N 0 0 315.760 3.535 10 0 DHAERN CCCSc1nnc(C)c(C=CNc2ccc(F)cc2)n1 ZINC000100185996 193796001 /nfs/dbraw/zinc/79/60/01/193796001.db2.gz AKEBCIZZGFGLMC-HJWRWDBZSA-N 0 0 304.394 3.904 10 0 DHAERN O=Cc1ccc(-c2ccc(I)cc2)s1 ZINC000034974624 182745807 /nfs/dbraw/zinc/74/58/07/182745807.db2.gz NWHJOFZXIIRJHU-UHFFFAOYSA-N 0 0 314.147 3.832 10 0 DHAERN Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)C1CCCC1 ZINC000035818661 182789021 /nfs/dbraw/zinc/78/90/21/182789021.db2.gz PIQFYFNZFBDSEB-IBGZPJMESA-N 0 0 308.425 3.918 10 0 DHAERN CCS(=O)(=O)c1ccc(N[C@@H](C)c2ccccc2C)cc1 ZINC000036982385 182858428 /nfs/dbraw/zinc/85/84/28/182858428.db2.gz IJZOVFGHDUEWDV-AWEZNQCLSA-N 0 0 303.427 3.962 10 0 DHAERN Cn1ncc2c1CCC[C@H]2Nc1ccc(Br)cc1F ZINC000037051535 182864414 /nfs/dbraw/zinc/86/44/14/182864414.db2.gz XVHIJQAUEQYQMS-GFCCVEGCSA-N 0 0 324.197 3.811 10 0 DHAERN NC(=O)Nc1ccc(NCc2ccccc2Br)cc1 ZINC000037136493 182869436 /nfs/dbraw/zinc/86/94/36/182869436.db2.gz HLDLKQMHRQAFFA-UHFFFAOYSA-N 0 0 320.190 3.552 10 0 DHAERN Cc1cccc(-c2nc3cc(Br)ccc3n2C)c1N ZINC000037441331 182893249 /nfs/dbraw/zinc/89/32/49/182893249.db2.gz UBYINBGUVSHQKT-UHFFFAOYSA-N 0 0 316.202 3.893 10 0 DHAERN COc1ccc([C@H](C)N[C@@H](C)c2cc[nH]n2)cc1Br ZINC000037907995 182935649 /nfs/dbraw/zinc/93/56/49/182935649.db2.gz KDNYVPTVNWINDN-UWVGGRQHSA-N 0 0 324.222 3.593 10 0 DHAERN COC(=O)[C@@H](Nc1ccccc1Br)[C@H]1CC=CCC1 ZINC000037960067 182943467 /nfs/dbraw/zinc/94/34/67/182943467.db2.gz MFVRNPIPYKYQKQ-FZMZJTMJSA-N 0 0 324.218 3.759 10 0 DHAERN Cc1ccc2n1CCN(C(=O)c1cc(Cl)nc(Cl)c1)[C@H]2C ZINC000037974584 182946988 /nfs/dbraw/zinc/94/69/88/182946988.db2.gz CIDZJWQJSYANCH-JTQLQIEISA-N 0 0 324.211 3.715 10 0 DHAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cc(Cl)ccn1 ZINC000037976629 182948300 /nfs/dbraw/zinc/94/83/00/182948300.db2.gz SRFJFPYDODSDSQ-QMMMGPOBSA-N 0 0 306.715 3.538 10 0 DHAERN Fc1cc(Br)ccc1Oc1ccc(Cl)nn1 ZINC000037977871 182949580 /nfs/dbraw/zinc/94/95/80/182949580.db2.gz OYBJJQMYNLNTPY-UHFFFAOYSA-N 0 0 303.518 3.824 10 0 DHAERN O=C(Nc1ccc2c[nH]nc2c1)c1cnc(Cl)c(Cl)c1 ZINC000037981348 182951613 /nfs/dbraw/zinc/95/16/13/182951613.db2.gz DGFLLBOUCVCSSO-UHFFFAOYSA-N 0 0 307.140 3.517 10 0 DHAERN CC(C)CC[C@](C)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944322 182941363 /nfs/dbraw/zinc/94/13/63/182941363.db2.gz QNIRVXPPOOJOMR-AWEZNQCLSA-N 0 0 313.239 3.541 10 0 DHAERN Cc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000039860415 183022210 /nfs/dbraw/zinc/02/22/10/183022210.db2.gz AUEDUGYYSWZOLT-GDNBJRDFSA-N 0 0 311.362 3.942 10 0 DHAERN COc1cccc(C[C@@H](O)c2ccc(Br)cc2)c1 ZINC000040243318 183049282 /nfs/dbraw/zinc/04/92/82/183049282.db2.gz FYRGXMYCDMNMTG-OAHLLOKOSA-N 0 0 307.187 3.734 10 0 DHAERN Nc1cc(Br)ccc1NC(=O)C[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176649 183044368 /nfs/dbraw/zinc/04/43/68/183044368.db2.gz WKQNLIHQGCRGSQ-VWYCJHECSA-N 0 0 323.234 3.796 10 0 DHAERN CCCCn1c(CN(C)C(=O)c2cccnc2)nc2ccccc21 ZINC000040181082 183044730 /nfs/dbraw/zinc/04/47/30/183044730.db2.gz VUWYWAMQJLIWQI-UHFFFAOYSA-N 0 0 322.412 3.504 10 0 DHAERN CC(C)N(C(=O)Cn1c2ccccc2nc1C(C)(C)C)C(C)C ZINC000040239301 183048505 /nfs/dbraw/zinc/04/85/05/183048505.db2.gz MAHKFAJMADIPLM-UHFFFAOYSA-N 0 0 315.461 3.979 10 0 DHAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccccc1C ZINC000040239558 183048750 /nfs/dbraw/zinc/04/87/50/183048750.db2.gz USOZYULCVIMEJE-UHFFFAOYSA-N 0 0 321.424 3.880 10 0 DHAERN Cc1cccc(Cn2c(CNC(=O)C(C)C)nc3ccccc32)c1 ZINC000040274688 183050445 /nfs/dbraw/zinc/05/04/45/183050445.db2.gz SNMVLHWQFGYUDD-UHFFFAOYSA-N 0 0 321.424 3.665 10 0 DHAERN O=C(Cn1c2ccccc2nc1C1CC1)Nc1ccc(F)cc1 ZINC000040295934 183052538 /nfs/dbraw/zinc/05/25/38/183052538.db2.gz YAFJEMSWFCMPAT-UHFFFAOYSA-N 0 0 309.344 3.692 10 0 DHAERN COCCn1c(COc2ccc(C)cc2C)nc2ccccc21 ZINC000040389676 183059833 /nfs/dbraw/zinc/05/98/33/183059833.db2.gz UFBPVMDSVKDTRM-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN Cc1ccc(OCc2nc3ccc(Cl)cc3n2CCO)cc1 ZINC000040401087 183061593 /nfs/dbraw/zinc/06/15/93/183061593.db2.gz SVMYQMHUFXSEAQ-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN COCCn1c(Cc2ccccc2)nc2ccc(Cl)cc21 ZINC000040404652 183062156 /nfs/dbraw/zinc/06/21/56/183062156.db2.gz WIBGPMHALKNTDU-UHFFFAOYSA-N 0 0 300.789 3.927 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(N3CCCCCC3)c2N)c1 ZINC000040681304 183116956 /nfs/dbraw/zinc/11/69/56/183116956.db2.gz WRBLKSAYOKUVAU-UHFFFAOYSA-N 0 0 312.417 3.848 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccc(C)n3)c2N)c1 ZINC000040685273 183117690 /nfs/dbraw/zinc/11/76/90/183117690.db2.gz IDHGWMWXBBONHU-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CCCCNc1ncnc(Nc2cccc3ccc(C)nc32)c1N ZINC000040706511 183121326 /nfs/dbraw/zinc/12/13/26/183121326.db2.gz BLQOSGCDEVRQDZ-UHFFFAOYSA-N 0 0 322.416 3.871 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2ccc(C)cn2)c1N ZINC000040688336 183117796 /nfs/dbraw/zinc/11/77/96/183117796.db2.gz MDIUENDCGNDQAD-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3cccc(C)c3C)c2N)n1 ZINC000040685438 183117937 /nfs/dbraw/zinc/11/79/37/183117937.db2.gz LHMZJBBJYFUCLW-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccnc(Nc2ncnc(Sc3ccccc3)c2N)c1 ZINC000040701367 183119692 /nfs/dbraw/zinc/11/96/92/183119692.db2.gz GEANNVFJMCADAR-UHFFFAOYSA-N 0 0 309.398 3.657 10 0 DHAERN CCCNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040707922 183121026 /nfs/dbraw/zinc/12/10/26/183121026.db2.gz IJXACIFFOPZUMF-UHFFFAOYSA-N 0 0 311.311 3.643 10 0 DHAERN Nc1c(Cl)ncnc1NN(c1ccccc1)c1ccccc1 ZINC000040571882 183104475 /nfs/dbraw/zinc/10/44/75/183104475.db2.gz ASPSFUAZVMJNDO-UHFFFAOYSA-N 0 0 311.776 3.877 10 0 DHAERN CC(C)Oc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040783300 183133555 /nfs/dbraw/zinc/13/35/55/183133555.db2.gz DLMZMLLZNCXPMZ-UHFFFAOYSA-N 0 0 313.188 3.896 10 0 DHAERN Cc1ccc(Sc2ncnc(NCCC(C)C)c2N)cc1 ZINC000040783407 183133592 /nfs/dbraw/zinc/13/35/92/183133592.db2.gz BVFDGJGGVCTRRK-UHFFFAOYSA-N 0 0 302.447 3.976 10 0 DHAERN COc1cccc2c1cc(C(=O)Nc1ccc(C(C)=O)cc1)n2C ZINC000040788494 183133685 /nfs/dbraw/zinc/13/36/85/183133685.db2.gz MUWIWHRYWGARQK-UHFFFAOYSA-N 0 0 322.364 3.642 10 0 DHAERN Cc1nc(Nc2ncnc(Oc3ccccc3)c2N)sc1C ZINC000040783110 183133708 /nfs/dbraw/zinc/13/37/08/183133708.db2.gz JNYSHLGRLQUNAW-UHFFFAOYSA-N 0 0 313.386 3.668 10 0 DHAERN Cc1ccc(Nc2ncnc(N3CCCCCC3)c2N)c(C)c1 ZINC000040725433 183124382 /nfs/dbraw/zinc/12/43/82/183124382.db2.gz HKYWMHAXPKVADF-UHFFFAOYSA-N 0 0 311.433 3.800 10 0 DHAERN Nc1c(NC2CCCCCC2)[nH]cnc1=NNc1ccccc1 ZINC000040757627 183129473 /nfs/dbraw/zinc/12/94/73/183129473.db2.gz OUEODRKOZDREHC-UHFFFAOYSA-N 0 0 312.421 3.633 10 0 DHAERN Nc1c(NCc2ccco2)ncnc1Nc1ccccc1Cl ZINC000040761271 183130627 /nfs/dbraw/zinc/13/06/27/183130627.db2.gz MGYCSLNGRXURFT-UHFFFAOYSA-N 0 0 315.764 3.661 10 0 DHAERN COc1ccc(C(=O)Nc2ccnc3c(F)cc(F)cc23)cc1 ZINC000041058180 183161120 /nfs/dbraw/zinc/16/11/20/183161120.db2.gz NFICLEIKBBFSSN-UHFFFAOYSA-N 0 0 314.291 3.774 10 0 DHAERN OC[C@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000041542950 183201399 /nfs/dbraw/zinc/20/13/99/183201399.db2.gz YVWFBWMCJASDJU-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN Nc1cc(Br)cc2nc(-c3ccc(F)cc3)oc21 ZINC000041569864 183204581 /nfs/dbraw/zinc/20/45/81/183204581.db2.gz JQVMTCSEZRRMRN-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN O=S1CCC(Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000042335595 183255180 /nfs/dbraw/zinc/25/51/80/183255180.db2.gz YPQBLAUAPVMVSP-UHFFFAOYSA-N 0 0 311.756 3.682 10 0 DHAERN CCC(CC)N(CCO)C(=O)c1cccc(Cl)c1Cl ZINC000042506510 183277671 /nfs/dbraw/zinc/27/76/71/183277671.db2.gz ULVTXMICVQFKGD-UHFFFAOYSA-N 0 0 304.217 3.617 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1c(Cl)cccc1Cl ZINC000042528706 183281119 /nfs/dbraw/zinc/28/11/19/183281119.db2.gz XGSVSBKGDVDWLC-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN CC[C@H](NC(=O)c1cc(Br)ccc1F)C(C)C ZINC000042550742 183284395 /nfs/dbraw/zinc/28/43/95/183284395.db2.gz FJUFLECJLSBXHN-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN Cc1sc(C(=O)N[C@H](C)c2ccc(Cl)s2)cc1N ZINC000042584270 183287730 /nfs/dbraw/zinc/28/77/30/183287730.db2.gz HDWPLZXVEHFHLL-ZCFIWIBFSA-N 0 0 300.836 3.845 10 0 DHAERN CCCCN(c1nc(Cl)c(C(=O)OC)s1)[C@H](C)CC ZINC000042612803 183291302 /nfs/dbraw/zinc/29/13/02/183291302.db2.gz NWCUYOGOGJURBA-SECBINFHSA-N 0 0 304.843 3.988 10 0 DHAERN Cc1csc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000043242018 183346783 /nfs/dbraw/zinc/34/67/83/183346783.db2.gz PRLZXBQXVGHZHS-IUCAKERBSA-N 0 0 307.341 3.694 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](Nc2cccnc2Cl)C1 ZINC000043326227 183354888 /nfs/dbraw/zinc/35/48/88/183354888.db2.gz VOLZUQMRUYOKNG-NSHDSACASA-N 0 0 311.813 3.546 10 0 DHAERN C[C@@H](c1ccc(Cl)s1)n1ncc(Br)c1N ZINC000043666459 183377939 /nfs/dbraw/zinc/37/79/39/183377939.db2.gz VQXHHVZHWRMLKG-YFKPBYRVSA-N 0 0 306.616 3.552 10 0 DHAERN Cc1nn(Cc2ccc3ccccc3c2)c(N)c1Br ZINC000043668021 183378170 /nfs/dbraw/zinc/37/81/70/183378170.db2.gz GVHSPHUTWZWOCA-UHFFFAOYSA-N 0 0 316.202 3.738 10 0 DHAERN CC[C@H](c1ccc(C)cc1)n1nc(C)c(Br)c1N ZINC000043681539 183380168 /nfs/dbraw/zinc/38/01/68/183380168.db2.gz MEINXLFNTKQDNK-GFCCVEGCSA-N 0 0 308.223 3.844 10 0 DHAERN FC(F)(F)c1ccc(-c2cc(Br)ncn2)cc1 ZINC000044119117 183395136 /nfs/dbraw/zinc/39/51/36/183395136.db2.gz VOQJXJRFKQYJKT-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN Cc1cccnc1CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000105185814 194083734 /nfs/dbraw/zinc/08/37/34/194083734.db2.gz DCQHTBANWJZEAA-NSHDSACASA-N 0 0 321.783 3.743 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C)c(Cl)c3)C2)c1 ZINC000105860786 194149061 /nfs/dbraw/zinc/14/90/61/194149061.db2.gz KSEIIBBXXNMMRY-HNNXBMFYSA-N 0 0 317.820 3.631 10 0 DHAERN O=Cc1cccc(OCC(=O)c2ccccc2Br)c1 ZINC000047821417 183605462 /nfs/dbraw/zinc/60/54/62/183605462.db2.gz PIVLEWIMLIRXHM-UHFFFAOYSA-N 0 0 319.154 3.523 10 0 DHAERN C[C@@H](c1cccs1)N(C)c1ncc(Br)cc1N ZINC000049727161 183756671 /nfs/dbraw/zinc/75/66/71/183756671.db2.gz SOCJTABDUKJRCH-QMMMGPOBSA-N 0 0 312.236 3.685 10 0 DHAERN COc1cc(N)ccc1OCc1ccc(Br)s1 ZINC000050505343 183787943 /nfs/dbraw/zinc/78/79/43/183787943.db2.gz UZKFULJZYVFKAA-UHFFFAOYSA-N 0 0 314.204 3.680 10 0 DHAERN Cc1cc(N(C)Cc2ccc(Br)cc2)ccc1CO ZINC000050582991 183789540 /nfs/dbraw/zinc/78/95/40/183789540.db2.gz BMZZWXCWNUQYBI-UHFFFAOYSA-N 0 0 320.230 3.886 10 0 DHAERN CCNc1snnc1COc1cccc(Cl)c1Cl ZINC000050832561 183805842 /nfs/dbraw/zinc/80/58/42/183805842.db2.gz YWEOVIYIECNXAG-UHFFFAOYSA-N 0 0 304.202 3.856 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)n1 ZINC000051073568 183812961 /nfs/dbraw/zinc/81/29/61/183812961.db2.gz DWDJIZBCBCPWPN-RKDXNWHRSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3C)n2)cc1 ZINC000057342082 184034389 /nfs/dbraw/zinc/03/43/89/184034389.db2.gz GZBRDTDQUMVHDC-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2cc(F)c(F)cc2F)[nH]1 ZINC000057341557 184034399 /nfs/dbraw/zinc/03/43/99/184034399.db2.gz CACNECRJTYUBAK-UHFFFAOYSA-N 0 0 317.270 3.598 10 0 DHAERN CC(C)CCOCCOc1ccc(C=O)cc1Br ZINC000058114845 184076239 /nfs/dbraw/zinc/07/62/39/184076239.db2.gz MNRUGEANETYQGW-UHFFFAOYSA-N 0 0 315.207 3.703 10 0 DHAERN CC[C@H](N)c1nnc(-c2ccc(Br)cc2Cl)o1 ZINC000061497356 184171845 /nfs/dbraw/zinc/17/18/45/184171845.db2.gz PTEDEDAWZHDJNK-VIFPVBQESA-N 0 0 316.586 3.562 10 0 DHAERN CCCO[C@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630883 184179929 /nfs/dbraw/zinc/17/99/29/184179929.db2.gz SHYLJNJLPCQFJD-NSHDSACASA-N 0 0 303.233 3.779 10 0 DHAERN CCc1nc2nc3c(c(Nc4ccc(Cl)cc4)n2n1)CCC3 ZINC000064449822 184297466 /nfs/dbraw/zinc/29/74/66/184297466.db2.gz MKLRYSWRYJVHOA-UHFFFAOYSA-N 0 0 313.792 3.572 10 0 DHAERN CC(C)(C)CC(=O)Nc1ccc2ncnc(N3CCCC3)c2c1 ZINC000065149071 184311729 /nfs/dbraw/zinc/31/17/29/184311729.db2.gz LNJFFAQBRCIOTE-UHFFFAOYSA-N 0 0 312.417 3.605 10 0 DHAERN O=C(CCc1conc1-c1ccccc1)NCc1ccccc1 ZINC000065213298 184314751 /nfs/dbraw/zinc/31/47/51/184314751.db2.gz DUKMMBBZHNZABB-UHFFFAOYSA-N 0 0 306.365 3.591 10 0 DHAERN CN(C)C(=O)c1ccc(-c2cc(O)cc(C(F)(F)F)c2)cc1 ZINC000065344344 184325998 /nfs/dbraw/zinc/32/59/98/184325998.db2.gz BKCLAHJAVVYLMW-UHFFFAOYSA-N 0 0 309.287 3.780 10 0 DHAERN CC(=O)c1cc(-c2nc(C3CC3)nn2-c2ncccc2C)cs1 ZINC000065407963 184339247 /nfs/dbraw/zinc/33/92/47/184339247.db2.gz HBMYFEOUONEYGZ-UHFFFAOYSA-N 0 0 324.409 3.779 10 0 DHAERN COC(=O)c1c(-c2ccc(F)cc2)nc(Cl)nc1C(C)C ZINC000066054667 184385424 /nfs/dbraw/zinc/38/54/24/184385424.db2.gz FNTJPJFDKWHNDM-UHFFFAOYSA-N 0 0 308.740 3.846 10 0 DHAERN Brc1ccc(CN2CCNc3ccccc32)cc1 ZINC000037563301 532963317 /nfs/dbraw/zinc/96/33/17/532963317.db2.gz HFVDPORBTNANIB-UHFFFAOYSA-N 0 0 303.203 3.881 10 0 DHAERN Cc1ccc(N)cc1NC(=O)C[C@@H](C)Cc1cccc(F)c1 ZINC000193459409 335050103 /nfs/dbraw/zinc/05/01/03/335050103.db2.gz INICOGOAWCBTPX-LBPRGKRZSA-N 0 0 300.377 3.924 10 0 DHAERN Cc1cccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1C ZINC000071790598 184842031 /nfs/dbraw/zinc/84/20/31/184842031.db2.gz WJZVNVWCRRTLEN-OAHLLOKOSA-N 0 0 303.402 3.597 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cscc2Br)o1 ZINC000285268858 131152400 /nfs/dbraw/zinc/15/24/00/131152400.db2.gz SUHQFKZJHHYFBZ-QMMMGPOBSA-N 0 0 314.204 3.903 10 0 DHAERN Cc1cncc(N[C@@H]2C[C@@H]2c2ccccc2Br)n1 ZINC000302222627 132155452 /nfs/dbraw/zinc/15/54/52/132155452.db2.gz NBNQCWMKEZTBAI-DGCLKSJQSA-N 0 0 304.191 3.516 10 0 DHAERN CCCCCN1C(=O)COc2ccc(NC(=O)C(C)(C)C)cc21 ZINC000012118806 134501565 /nfs/dbraw/zinc/50/15/65/134501565.db2.gz UWPUWLJCENOUTM-UHFFFAOYSA-N 0 0 318.417 3.587 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1c(F)cccc1Cl)CCS2 ZINC000038051176 134705414 /nfs/dbraw/zinc/70/54/14/134705414.db2.gz IEEZXUIXJNQNEW-UHFFFAOYSA-N 0 0 322.792 3.814 10 0 DHAERN CCOc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(C(F)(F)F)c1 ZINC000150880714 196598483 /nfs/dbraw/zinc/59/84/83/196598483.db2.gz CRBBBCKLGFKRKM-TVQRCGJNSA-N 0 0 317.307 3.610 10 0 DHAERN Cc1noc(C)c1[C@H](C)c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1 ZINC000299742169 229378653 /nfs/dbraw/zinc/37/86/53/229378653.db2.gz IFEBWEXYHPRTDR-WFBYXXMGSA-N 0 0 319.405 3.745 10 0 DHAERN c1cc(N[C@@H]2CCN(Cc3ccccc3)c3ccccc32)n[nH]1 ZINC000616675725 435366397 /nfs/dbraw/zinc/36/63/97/435366397.db2.gz PGBMDVJFIGSRED-QGZVFWFLSA-N 0 0 304.397 3.973 10 0 DHAERN C[C@@H](NC(=O)Cc1ccsc1)c1cccc(Br)c1 ZINC000027745081 332963592 /nfs/dbraw/zinc/96/35/92/332963592.db2.gz DRCLUVURCJATAQ-SNVBAGLBSA-N 0 0 324.243 3.931 10 0 DHAERN COc1ccc([C@H](C)NC(=O)c2cccc3cc[nH]c32)cc1OC ZINC000172978815 332820735 /nfs/dbraw/zinc/82/07/35/332820735.db2.gz QQABQQNWBKUHHH-LBPRGKRZSA-N 0 0 324.380 3.676 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000174185444 332846639 /nfs/dbraw/zinc/84/66/39/332846639.db2.gz BVUGURFXOZWBKF-AWEZNQCLSA-N 0 0 321.380 3.623 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)CC2)c(Cl)c1 ZINC000067575992 331459215 /nfs/dbraw/zinc/45/92/15/331459215.db2.gz HBOJIKISRSFFOO-LLVKDONJSA-N 0 0 323.824 3.952 10 0 DHAERN CN1C(=O)C[C@H](NCc2ccccc2Cl)c2ccccc21 ZINC000037199009 331544159 /nfs/dbraw/zinc/54/41/59/331544159.db2.gz ITKVZRLUNXBNLC-HNNXBMFYSA-N 0 0 300.789 3.537 10 0 DHAERN C[C@@H]1CCC[C@@H](OCc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000521393859 331567662 /nfs/dbraw/zinc/56/76/62/331567662.db2.gz FWIKCVIYLBZOTR-DGCLKSJQSA-N 0 0 316.357 3.561 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000072524743 331669608 /nfs/dbraw/zinc/66/96/08/331669608.db2.gz XRBUQGLPGAPCIM-BACDZXNISA-N 0 0 318.465 3.587 10 0 DHAERN O=C(N[C@@H]1CCc2c1cccc2F)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000255533073 331765710 /nfs/dbraw/zinc/76/57/10/331765710.db2.gz XYUDAVXLKJVOGL-LZLYRXPVSA-N 0 0 313.347 3.872 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(Br)c1 ZINC000027737720 332929556 /nfs/dbraw/zinc/92/95/56/332929556.db2.gz KFLBATYPFQKGNY-NWDGAFQWSA-N 0 0 308.219 3.983 10 0 DHAERN CCS(=O)(=O)Nc1ccc(NCC2CCC(C)CC2)cc1 ZINC000089576693 331820976 /nfs/dbraw/zinc/82/09/76/331820976.db2.gz YWCOVHNRBNFAJW-UHFFFAOYSA-N 0 0 310.463 3.686 10 0 DHAERN C[C@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)[C@H]1CO ZINC000089856088 331821488 /nfs/dbraw/zinc/82/14/88/331821488.db2.gz QQBFADPQULWOEQ-UGSOOPFHSA-N 0 0 324.424 3.563 10 0 DHAERN CCCCN(CCOC)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088784805 332058022 /nfs/dbraw/zinc/05/80/22/332058022.db2.gz APEDOWLUAFKELJ-AWEZNQCLSA-N 0 0 310.413 3.653 10 0 DHAERN COc1ccc2oc(CN3CCO[C@H]4CCCC[C@@H]43)cc2c1 ZINC000091979475 332098974 /nfs/dbraw/zinc/09/89/74/332098974.db2.gz SSQHAYYKXHWQLR-WMZOPIPTSA-N 0 0 301.386 3.585 10 0 DHAERN CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000163761571 332113547 /nfs/dbraw/zinc/11/35/47/332113547.db2.gz TXZGDZFVEFXXIT-STQMWFEESA-N 0 0 302.443 3.952 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1occc1Br ZINC000176524778 332945877 /nfs/dbraw/zinc/94/58/77/332945877.db2.gz VJCAGCNJYWETQD-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN CSCCCCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181295701 332189648 /nfs/dbraw/zinc/18/96/48/332189648.db2.gz DVRQAXQHXQXQSZ-CZUORRHYSA-N 0 0 306.475 3.671 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@@H](C)O)cc1 ZINC000181645377 332205860 /nfs/dbraw/zinc/20/58/60/332205860.db2.gz DSUMPZZRGYJFJF-GRGSLBFTSA-N 0 0 315.457 3.675 10 0 DHAERN Cc1cc([C@H](C)NC(=O)N(C)Cc2csc(C)n2)c(C)o1 ZINC000065495009 335097850 /nfs/dbraw/zinc/09/78/50/335097850.db2.gz GGBWCENEHFLWKG-JTQLQIEISA-N 0 0 307.419 3.564 10 0 DHAERN C[C@@H](NC(=O)Cc1cccc(N)c1)c1ccc(C(C)(C)C)cc1 ZINC000261636019 332478827 /nfs/dbraw/zinc/47/88/27/332478827.db2.gz CONQORGNDSIZEO-CQSZACIVSA-N 0 0 310.441 3.986 10 0 DHAERN CCC[C@@H]1C[C@H]1NC(=O)c1ccc(Br)cc1F ZINC000075375623 334360663 /nfs/dbraw/zinc/36/06/63/334360663.db2.gz ZHJKNTVIVUUQLS-PRHODGIISA-N 0 0 300.171 3.507 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1C[C@@H]1C1CC1 ZINC000151737528 332609742 /nfs/dbraw/zinc/60/97/42/332609742.db2.gz XOHHDCYBTSOBLY-BRWVUGGUSA-N 0 0 311.425 3.985 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000154604917 332747068 /nfs/dbraw/zinc/74/70/68/332747068.db2.gz SVGQCODQFKFCLQ-TUAOUCFPSA-N 0 0 317.351 3.596 10 0 DHAERN Clc1cc(NCCc2ccc(Br)o2)ccn1 ZINC000301706858 332978324 /nfs/dbraw/zinc/97/83/24/332978324.db2.gz SNXAMKDDULALHU-UHFFFAOYSA-N 0 0 301.571 3.745 10 0 DHAERN CC[C@@](C)(CCO)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000178423374 333011395 /nfs/dbraw/zinc/01/13/95/333011395.db2.gz IIKAPXOELMVTQS-KSSFIOAISA-N 0 0 306.450 3.721 10 0 DHAERN Cn1c(Cl)cnc1C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000183128734 333052667 /nfs/dbraw/zinc/05/26/67/333052667.db2.gz SHXAFXSVFOEUKZ-INIZCTEOSA-N 0 0 303.837 3.877 10 0 DHAERN CCCO[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171747094 333053812 /nfs/dbraw/zinc/05/38/12/333053812.db2.gz KHXBHDMMRWNNPL-UONOGXRCSA-N 0 0 310.463 3.800 10 0 DHAERN C[C@@H](NC(=O)NC[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000171759014 333054002 /nfs/dbraw/zinc/05/40/02/333054002.db2.gz SYUILPRACHUQMM-OLZOCXBDSA-N 0 0 316.426 3.675 10 0 DHAERN COC(=O)C1CCC(C(=O)Oc2ccccc2C(C)C)CC1 ZINC000181004497 333166755 /nfs/dbraw/zinc/16/67/55/333166755.db2.gz XJCAKVVMDXLZKM-UHFFFAOYSA-N 0 0 304.386 3.695 10 0 DHAERN Cc1nc2ccccc2nc1N[C@H](C)COCc1ccccc1 ZINC000390712804 333317762 /nfs/dbraw/zinc/31/77/62/333317762.db2.gz ZHKBPKMFAVQFLZ-CQSZACIVSA-N 0 0 307.397 3.955 10 0 DHAERN C[C@H](NC(=O)NC1(Cc2ccccc2)CC1)c1cccs1 ZINC000188202537 333360441 /nfs/dbraw/zinc/36/04/41/333360441.db2.gz SOYIMLGLDYGXLV-ZDUSSCGKSA-N 0 0 300.427 3.884 10 0 DHAERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000188262237 333362355 /nfs/dbraw/zinc/36/23/55/333362355.db2.gz UCFZFQNOHCMILS-DOTOQJQBSA-N 0 0 303.446 3.546 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000188281421 333362811 /nfs/dbraw/zinc/36/28/11/333362811.db2.gz WEOQZQJPSQJWJA-WFASDCNBSA-N 0 0 321.392 3.901 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC[C@H](C)O1)c1cc(Cl)ccc1Cl ZINC000186269797 333372611 /nfs/dbraw/zinc/37/26/11/333372611.db2.gz AVYNRNWFTUYYLQ-RWEMILLDSA-N 0 0 302.201 3.738 10 0 DHAERN Cc1cc(CNC(=O)C[C@@H](O)C(C)C)ccc1-c1ccccc1 ZINC000186820081 333379325 /nfs/dbraw/zinc/37/93/25/333379325.db2.gz GCWBMSYTSDGJAO-LJQANCHMSA-N 0 0 311.425 3.685 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@@H]2C)CC[C@H]1c1ccccc1 ZINC000188651553 333383686 /nfs/dbraw/zinc/38/36/86/333383686.db2.gz RRYGDNUPXDFNDV-PSBWJHGTSA-N 0 0 315.457 3.844 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)c1ccc(Br)cc1 ZINC000063188051 333446228 /nfs/dbraw/zinc/44/62/28/333446228.db2.gz NTCKQQYGOPPVQZ-UHFFFAOYSA-N 0 0 317.186 3.669 10 0 DHAERN CC(C)(C)c1csc(CN2CCCc3c(N)cccc32)n1 ZINC000094969950 333464071 /nfs/dbraw/zinc/46/40/71/333464071.db2.gz ZZMJAKPADZUPNY-UHFFFAOYSA-N 0 0 301.459 3.976 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)O1 ZINC000152063334 333592535 /nfs/dbraw/zinc/59/25/35/333592535.db2.gz OUFSCLHBWHMZLH-BXUZGUMPSA-N 0 0 320.389 3.540 10 0 DHAERN Cc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c(Cl)c1 ZINC000191160011 335619964 /nfs/dbraw/zinc/61/99/64/335619964.db2.gz BFDMETPVTWNFIR-HNNXBMFYSA-N 0 0 301.773 3.902 10 0 DHAERN O=C(c1cc(Cl)ccc1Br)N1C[C@H]2CCC[C@H]21 ZINC000349332712 335664280 /nfs/dbraw/zinc/66/42/80/335664280.db2.gz OMLARALKBXSGTL-PRHODGIISA-N 0 0 314.610 3.727 10 0 DHAERN COc1cc(N)c(Cl)cc1-c1nc(Cc2cccs2)no1 ZINC000052899754 335818967 /nfs/dbraw/zinc/81/89/67/335818967.db2.gz ZNUXVSHOQWXAHF-UHFFFAOYSA-N 0 0 321.789 3.633 10 0 DHAERN CC[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000115785044 335844531 /nfs/dbraw/zinc/84/45/31/335844531.db2.gz WCDJBBXTVJTVAJ-KSSFIOAISA-N 0 0 312.413 3.721 10 0 DHAERN CCCCOc1cccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000054470338 335886072 /nfs/dbraw/zinc/88/60/72/335886072.db2.gz FFPZLCHOXRBJAC-BBRMVZONSA-N 0 0 306.406 3.555 10 0 DHAERN O=C1N[C@@H](c2ccccc2)C(=O)N1c1cc(Cl)ccc1Cl ZINC000192411046 336030734 /nfs/dbraw/zinc/03/07/34/336030734.db2.gz BSVJFBCAWADXCX-ZDUSSCGKSA-N 0 0 321.163 3.791 10 0 DHAERN CC1(C)Cc2cccc(CSc3nnc(C4CC4)[nH]3)c2O1 ZINC000330247417 336129417 /nfs/dbraw/zinc/12/94/17/336129417.db2.gz FOTOONBPRCPJFW-UHFFFAOYSA-N 0 0 301.415 3.688 10 0 DHAERN CC(C)[C@@H]1N(C(=O)Nc2ccc3ccoc3c2)C[C@]12CCCO2 ZINC000333195501 336199734 /nfs/dbraw/zinc/19/97/34/336199734.db2.gz PLNIDHVVQQKBQA-FUHWJXTLSA-N 0 0 314.385 3.854 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000103380980 336241229 /nfs/dbraw/zinc/24/12/29/336241229.db2.gz FLOALNRNIGKMFR-AWEZNQCLSA-N 0 0 314.385 3.712 10 0 DHAERN COC[C@@H](C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000103388842 336241379 /nfs/dbraw/zinc/24/13/79/336241379.db2.gz YBWDIQSLRCVEDU-SNVBAGLBSA-N 0 0 318.244 3.670 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(C)C ZINC000103392640 336241469 /nfs/dbraw/zinc/24/14/69/336241469.db2.gz SNNNLUVANBDWPJ-SMDDNHRTSA-N 0 0 317.351 3.801 10 0 DHAERN CN(CC1CCCCC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043164768 336246570 /nfs/dbraw/zinc/24/65/70/336246570.db2.gz MSQWXSVRWVBJNU-INIZCTEOSA-N 0 0 302.418 3.732 10 0 DHAERN Cc1cc(F)c(Br)cc1N[C@H]1CCOC[C@H]1C ZINC000192867523 336276094 /nfs/dbraw/zinc/27/60/94/336276094.db2.gz IWOYDAJKADMFNI-SKDRFNHKSA-N 0 0 302.187 3.734 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cccs1)c1ccc2c(c1)OCO2 ZINC000031106999 336279138 /nfs/dbraw/zinc/27/91/38/336279138.db2.gz WAKMTKGSLHUWPI-MNOVXSKESA-N 0 0 318.398 3.598 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H](CO)c2ccccc2)cc1 ZINC000182690871 336280963 /nfs/dbraw/zinc/28/09/63/336280963.db2.gz KLNWOCDDRCRDDN-SLFFLAALSA-N 0 0 323.436 3.763 10 0 DHAERN C[C@H]1CN(c2ccnc3c(Br)cccc23)CCS1 ZINC000301192286 336294130 /nfs/dbraw/zinc/29/41/30/336294130.db2.gz MBBCUUPLDSIECO-JTQLQIEISA-N 0 0 323.259 3.939 10 0 DHAERN FC(F)(F)c1cccc(N[C@H]2CCN(c3ccccc3)C2)n1 ZINC000301192551 336294264 /nfs/dbraw/zinc/29/42/64/336294264.db2.gz MUBRCITURRVFPC-LBPRGKRZSA-N 0 0 307.319 3.791 10 0 DHAERN Cc1nc(Cl)cc(N2CCC[C@H](COc3ccccc3)C2)n1 ZINC000301264613 336297616 /nfs/dbraw/zinc/29/76/16/336297616.db2.gz FAQZZVOSYJMCFA-AWEZNQCLSA-N 0 0 317.820 3.734 10 0 DHAERN c1ccc(OC[C@H]2CCCN(c3ncnc4ccccc43)C2)cc1 ZINC000301286073 336298717 /nfs/dbraw/zinc/29/87/17/336298717.db2.gz MTJFACZTGIXAAA-INIZCTEOSA-N 0 0 319.408 3.925 10 0 DHAERN Cc1noc(C)c1[C@H](C)Nc1nn2cc(C(C)(C)C)nc2s1 ZINC000301307682 336300106 /nfs/dbraw/zinc/30/01/06/336300106.db2.gz ZUHJYFHEQOIGNY-QMMMGPOBSA-N 0 0 319.434 3.866 10 0 DHAERN CC(C)c1noc(N2CCC(c3nc4ccccc4o3)CC2)n1 ZINC000301356966 336302373 /nfs/dbraw/zinc/30/23/73/336302373.db2.gz YRNRXYXSHQGOTF-UHFFFAOYSA-N 0 0 312.373 3.718 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000301419268 336305491 /nfs/dbraw/zinc/30/54/91/336305491.db2.gz DHCZXWWEFCLSIE-DOTOQJQBSA-N 0 0 321.424 3.885 10 0 DHAERN CSc1ccc(N[C@H](C)c2ccc(-n3cccn3)cc2)nn1 ZINC000301429251 336306290 /nfs/dbraw/zinc/30/62/90/336306290.db2.gz HZQJQZWYWVUPMO-GFCCVEGCSA-N 0 0 311.414 3.557 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000301440744 336306965 /nfs/dbraw/zinc/30/69/65/336306965.db2.gz MEXIPSKMEXLBRG-GOEBONIOSA-N 0 0 301.434 3.554 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000301451594 336307640 /nfs/dbraw/zinc/30/76/40/336307640.db2.gz QHYMTWZGXSMHLE-KBPBESRZSA-N 0 0 317.820 3.546 10 0 DHAERN CCS[C@@H]1CC[C@]1(O)CNc1ccnc2ccc(Cl)cc21 ZINC000301491470 336310126 /nfs/dbraw/zinc/31/01/26/336310126.db2.gz NNZDOOJCSOFNPQ-CVEARBPZSA-N 0 0 322.861 3.947 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ncccc2C(F)(F)F)C1 ZINC000301566432 336315379 /nfs/dbraw/zinc/31/53/79/336315379.db2.gz QBDCQBBXAVTTNQ-FLCAKIMKSA-N 0 0 320.380 3.592 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@H]1CNc1c(F)c(F)nc(F)c1F ZINC000301583167 336316333 /nfs/dbraw/zinc/31/63/33/336316333.db2.gz AFKLYKDYKVPLCQ-CPCISQLKSA-N 0 0 306.303 3.501 10 0 DHAERN CO[C@H](C)c1nc(CN(C)c2ccnc(C(C)(C)C)n2)cs1 ZINC000301590653 336316854 /nfs/dbraw/zinc/31/68/54/336316854.db2.gz XJTPIPDZBZEORY-LLVKDONJSA-N 0 0 320.462 3.574 10 0 DHAERN CCn1c(CCNc2ccnc(Cl)c2)nc2ccccc21 ZINC000301618956 336318626 /nfs/dbraw/zinc/31/86/26/336318626.db2.gz LOOQCOPRJKBJOP-UHFFFAOYSA-N 0 0 300.793 3.759 10 0 DHAERN COc1cc(F)cc(Nc2nn3cc(C(C)(C)C)nc3s2)c1 ZINC000301618739 336318679 /nfs/dbraw/zinc/31/86/79/336318679.db2.gz DCTOMSWGBIQFEO-UHFFFAOYSA-N 0 0 320.393 3.980 10 0 DHAERN COCc1nc(C)cc(NC[C@@H]2C[C@@]23CCCc2ccccc23)n1 ZINC000301664183 336321740 /nfs/dbraw/zinc/32/17/40/336321740.db2.gz VWLOBCARIBXRJX-JXFKEZNVSA-N 0 0 323.440 3.638 10 0 DHAERN CCc1nc2sccc2c(NC(C)(C)C(C)(C)C(=O)OC)n1 ZINC000301827789 336332797 /nfs/dbraw/zinc/33/27/97/336332797.db2.gz FWADUFGXMDFRNT-UHFFFAOYSA-N 0 0 321.446 3.643 10 0 DHAERN CCc1nc2sccc2c(N[C@@H](CC)c2noc(C)n2)n1 ZINC000301838781 336333359 /nfs/dbraw/zinc/33/33/59/336333359.db2.gz NQJBHPQQMCQGHE-JTQLQIEISA-N 0 0 303.391 3.508 10 0 DHAERN Cc1cc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc(C)n1 ZINC000301851895 336334114 /nfs/dbraw/zinc/33/41/14/336334114.db2.gz PRYMKBZCBLPNLN-CQSZACIVSA-N 0 0 307.401 3.511 10 0 DHAERN CCc1nc2sccc2c(N[C@H]2CCCCC[C@H]2CO)n1 ZINC000301855647 336334426 /nfs/dbraw/zinc/33/44/26/336334426.db2.gz YSRUFPDXFFKOBA-AAEUAGOBSA-N 0 0 305.447 3.607 10 0 DHAERN O[C@@H](C[C@H]1CCCN1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000301897978 336337028 /nfs/dbraw/zinc/33/70/28/336337028.db2.gz WIIYGFPDYDVQJK-QAPCUYQASA-N 0 0 307.397 3.655 10 0 DHAERN CC(C)Cn1ccnc(Oc2cccc(C(C)(C)C)c2)c1=O ZINC000301916706 336337949 /nfs/dbraw/zinc/33/79/49/336337949.db2.gz HBFSBVHWQSYLNF-UHFFFAOYSA-N 0 0 300.402 3.989 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nnc(Cc3ccccc3F)s2)C1 ZINC000302073703 336346978 /nfs/dbraw/zinc/34/69/78/336346978.db2.gz HXCMUSSLQWQXOL-CHWSQXEVSA-N 0 0 321.421 3.638 10 0 DHAERN C[C@@H]1SCCN(c2nnc(Cc3ccc(F)cc3)s2)[C@H]1C ZINC000302121913 336349499 /nfs/dbraw/zinc/34/94/99/336349499.db2.gz UUEGBBUXEIGRHD-QWRGUYRKSA-N 0 0 323.462 3.598 10 0 DHAERN C[C@@H](Nc1nccn2c1nnc2C1CC1)c1cc2ccccc2o1 ZINC000302202202 336353648 /nfs/dbraw/zinc/35/36/48/336353648.db2.gz IDHFIVCNRHPXRI-LLVKDONJSA-N 0 0 319.368 3.921 10 0 DHAERN CCOc1cc(N2CC[C@H](C)C[C@H]2c2ccc(C)o2)ncn1 ZINC000302268670 336356545 /nfs/dbraw/zinc/35/65/45/336356545.db2.gz GLWJVDOMAWBYHB-JSGCOSHPSA-N 0 0 301.390 3.754 10 0 DHAERN Fc1cc(F)c2nccc(NC[C@@H]3CSCCS3)c2c1 ZINC000302392513 336358086 /nfs/dbraw/zinc/35/80/86/336358086.db2.gz DOVGHCSKOGEXNT-SNVBAGLBSA-N 0 0 312.410 3.774 10 0 DHAERN CCOC(=O)[C@H]1CC[C@@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302526418 336360857 /nfs/dbraw/zinc/36/08/57/336360857.db2.gz OUNBESRKSZEBQQ-CMPLNLGQSA-N 0 0 320.339 3.657 10 0 DHAERN CC(C)(C)c1nsc(N2CCC[C@@H]2COc2ccccc2)n1 ZINC000302528666 336360921 /nfs/dbraw/zinc/36/09/21/336360921.db2.gz PJXCAIDVMKBSJK-CYBMUJFWSA-N 0 0 317.458 3.883 10 0 DHAERN CC(C)(C)[S@@](=O)Cc1cccc(Nc2ncncc2Cl)c1 ZINC000302630362 336363086 /nfs/dbraw/zinc/36/30/86/336363086.db2.gz JALYSYARHJXIMV-NRFANRHFSA-N 0 0 323.849 3.921 10 0 DHAERN CC(C)(C)[S@](=O)Cc1cccc(Nc2ncncc2Cl)c1 ZINC000302630363 336363100 /nfs/dbraw/zinc/36/31/00/336363100.db2.gz JALYSYARHJXIMV-OAQYLSRUSA-N 0 0 323.849 3.921 10 0 DHAERN CCOCC1CCN(c2c(C)cnc3c(OC)cccc32)CC1 ZINC000302670364 336364293 /nfs/dbraw/zinc/36/42/93/336364293.db2.gz RJTGHUQADJUFGT-UHFFFAOYSA-N 0 0 314.429 3.805 10 0 DHAERN CCS(=O)(=O)c1ccccc1N(C)Cc1ccc(C)c(F)c1 ZINC000302706341 336365824 /nfs/dbraw/zinc/36/58/24/336365824.db2.gz JIHXXEUIYBQMKM-UHFFFAOYSA-N 0 0 321.417 3.564 10 0 DHAERN CC(C)Cc1nsc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n1 ZINC000302811247 336370098 /nfs/dbraw/zinc/37/00/98/336370098.db2.gz GZMXNZGDXLLDPA-SNVBAGLBSA-N 0 0 318.398 3.942 10 0 DHAERN Cc1cc(N[C@@H]2CCc3cc(Br)ccc32)ncn1 ZINC000110270153 336396220 /nfs/dbraw/zinc/39/62/20/336396220.db2.gz ARCRGULUGUBNOW-CYBMUJFWSA-N 0 0 304.191 3.647 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)CCC(C)C ZINC000114582189 336607400 /nfs/dbraw/zinc/60/74/00/336607400.db2.gz SWFHIOVJMVWING-XJKSGUPXSA-N 0 0 320.481 3.708 10 0 DHAERN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041460 336830437 /nfs/dbraw/zinc/83/04/37/336830437.db2.gz YSNNGIUFDLETRP-ABAIWWIYSA-N 0 0 321.323 3.689 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2cccc2)cc1 ZINC000023647085 336974344 /nfs/dbraw/zinc/97/43/44/336974344.db2.gz WOMTXDBQDSBWGC-GOSISDBHSA-N 0 0 318.376 3.731 10 0 DHAERN CCCCO[C@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121905125 336986177 /nfs/dbraw/zinc/98/61/77/336986177.db2.gz IRNKBIRJXIMRIF-HIFRSBDPSA-N 0 0 305.418 3.610 10 0 DHAERN CCCCO[C@@H](C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121904934 336986185 /nfs/dbraw/zinc/98/61/85/336986185.db2.gz IRNKBIRJXIMRIF-ZFWWWQNUSA-N 0 0 305.418 3.610 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122400830 337007887 /nfs/dbraw/zinc/00/78/87/337007887.db2.gz HRHPGQIRLJBVHK-MRXNPFEDSA-N 0 0 320.481 3.664 10 0 DHAERN CCC[C@@H](C(=O)N1CCC(c2cnn(CC)c2)CC1)C(C)C ZINC000122479484 337009307 /nfs/dbraw/zinc/00/93/07/337009307.db2.gz WCFCZSKEPOXSAC-QGZVFWFLSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)c(F)cc1F ZINC000122814751 337026525 /nfs/dbraw/zinc/02/65/25/337026525.db2.gz IMKMEMJCTQOOQQ-INIZCTEOSA-N 0 0 323.362 3.791 10 0 DHAERN Fc1cc2ncc(N3CCC[C@H]3c3ccco3)nc2cc1F ZINC000123027508 337034224 /nfs/dbraw/zinc/03/42/24/337034224.db2.gz JDPUUMIZYGGTQK-AWEZNQCLSA-N 0 0 301.296 3.843 10 0 DHAERN O=C(Nc1ccc(F)cn1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000123146193 337038420 /nfs/dbraw/zinc/03/84/20/337038420.db2.gz RXOJOZLJANCXGM-CQSZACIVSA-N 0 0 303.312 3.559 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)Nc2ccn(C)n2)cc1 ZINC000123231766 337041152 /nfs/dbraw/zinc/04/11/52/337041152.db2.gz ZSLSAPXYNMMOTB-CYBMUJFWSA-N 0 0 300.406 3.501 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)c(Cl)c1 ZINC000123425321 337047994 /nfs/dbraw/zinc/04/79/94/337047994.db2.gz YJJNLFNGTJQEKD-VYUIOLGVSA-N 0 0 302.201 3.738 10 0 DHAERN Cc1nc([C@H](C)NC(=O)CCc2ccc(Cl)cc2)cs1 ZINC000170497080 337083310 /nfs/dbraw/zinc/08/33/10/337083310.db2.gz OHBISNMKXRWPCD-JTQLQIEISA-N 0 0 308.834 3.915 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)OCC(F)(F)F)C2)n1 ZINC000172129742 337089989 /nfs/dbraw/zinc/08/99/89/337089989.db2.gz TZJSASVJJNVNJO-SECBINFHSA-N 0 0 322.352 3.584 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)N[C@H](C)C2CCCC2)cc1OC ZINC000172181384 337090264 /nfs/dbraw/zinc/09/02/64/337090264.db2.gz YENSNTKYPBTLKM-CHWSQXEVSA-N 0 0 320.433 3.643 10 0 DHAERN Cc1nc2c(cnn2C)c(N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000171987109 337090617 /nfs/dbraw/zinc/09/06/17/337090617.db2.gz MPNVZBMBYAGPOL-SNVBAGLBSA-N 0 0 315.808 3.523 10 0 DHAERN O=C(c1cnc(-c2ccco2)s1)N1CCC[C@@H]1c1ccco1 ZINC000172244060 337091563 /nfs/dbraw/zinc/09/15/63/337091563.db2.gz VREKAOZFESCBDT-LLVKDONJSA-N 0 0 314.366 3.973 10 0 DHAERN O=C(C[C@H]1CCCc2ccccc21)N1CCC(c2cc[nH]n2)CC1 ZINC000172384097 337128563 /nfs/dbraw/zinc/12/85/63/337128563.db2.gz ISOKMZFCPAANLV-QGZVFWFLSA-N 0 0 323.440 3.626 10 0 DHAERN O=C(C=Cc1ccc(Cl)s1)N1CCC(c2cc[nH]n2)CC1 ZINC000172385339 337128643 /nfs/dbraw/zinc/12/86/43/337128643.db2.gz WUDLSOQPKATRGL-DUXPYHPUSA-N 0 0 321.833 3.544 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1coc2ccccc12 ZINC000172965200 337132684 /nfs/dbraw/zinc/13/26/84/337132684.db2.gz NXHVHWDUXQNOFG-AWEZNQCLSA-N 0 0 309.365 3.768 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)n1 ZINC000173411283 337135045 /nfs/dbraw/zinc/13/50/45/337135045.db2.gz MEVXZZIDWXDZTF-CYBMUJFWSA-N 0 0 301.415 3.863 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000173417839 337135244 /nfs/dbraw/zinc/13/52/44/337135244.db2.gz OLWVKXHOUPDWAR-MRXNPFEDSA-N 0 0 314.454 3.790 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(Cl)n3)C2)n1 ZINC000173584784 337136667 /nfs/dbraw/zinc/13/66/67/337136667.db2.gz AEVHPMGCPVCXBC-LLVKDONJSA-N 0 0 321.833 3.520 10 0 DHAERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621622 337136820 /nfs/dbraw/zinc/13/68/20/337136820.db2.gz KMGXMIHIZRSLRL-IAQYHMDHSA-N 0 0 320.387 3.695 10 0 DHAERN C[C@H](NC(=O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000173922377 337137598 /nfs/dbraw/zinc/13/75/98/337137598.db2.gz CGAWTDGQJSIRRS-ZDUSSCGKSA-N 0 0 309.344 3.502 10 0 DHAERN Cc1ccc(F)c(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173926137 337137656 /nfs/dbraw/zinc/13/76/56/337137656.db2.gz YKRAQTMOZPUAQH-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1ccsc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173943247 337137733 /nfs/dbraw/zinc/13/77/33/337137733.db2.gz IXDBFHZEEWJARP-ZDUSSCGKSA-N 0 0 311.410 3.733 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000173943310 337137789 /nfs/dbraw/zinc/13/77/89/337137789.db2.gz AJLKAMXCOYEXIS-OAHLLOKOSA-N 0 0 305.381 3.672 10 0 DHAERN C[C@@H](NC(=O)c1cccc(F)c1)c1cccc(-n2ccnc2)c1 ZINC000173948453 337137925 /nfs/dbraw/zinc/13/79/25/337137925.db2.gz BGQNDXFMGAAQNJ-CYBMUJFWSA-N 0 0 309.344 3.502 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@H]3CC=CCC3)C2)n1 ZINC000174371161 337141167 /nfs/dbraw/zinc/14/11/67/337141167.db2.gz JQXUOVMJWZNDFS-GJZGRUSLSA-N 0 0 319.474 3.697 10 0 DHAERN CN(Cc1cc2ccccc2o1)C(=O)N[C@@H]1COc2ccccc21 ZINC000175405555 337145836 /nfs/dbraw/zinc/14/58/36/337145836.db2.gz SSMCAAFANAOGCF-MRXNPFEDSA-N 0 0 322.364 3.708 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H](C)C(C)C)C2)n1 ZINC000175208049 337146128 /nfs/dbraw/zinc/14/61/28/337146128.db2.gz VMYUBIDUNRYDQN-TZMCWYRMSA-N 0 0 309.479 3.633 10 0 DHAERN COc1cccc([C@H](C)N2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000175617989 337148542 /nfs/dbraw/zinc/14/85/42/337148542.db2.gz HHJYEMGLIYLJDJ-XJKSGUPXSA-N 0 0 318.442 3.595 10 0 DHAERN Cc1cccc(CNC(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000176194753 337149671 /nfs/dbraw/zinc/14/96/71/337149671.db2.gz NNYJUPAMGULYHY-HNNXBMFYSA-N 0 0 315.442 3.888 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000175998864 337150082 /nfs/dbraw/zinc/15/00/82/337150082.db2.gz IYKVXDRTTPIIIV-HOTGVXAUSA-N 0 0 306.454 3.626 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)c(C)n1 ZINC000176707312 337151774 /nfs/dbraw/zinc/15/17/74/337151774.db2.gz MVIHSKSWHQQEJQ-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)CCc1ccoc1 ZINC000177222932 337154802 /nfs/dbraw/zinc/15/48/02/337154802.db2.gz JSNKKYBKZFYKBQ-KRWDZBQOSA-N 0 0 313.397 3.591 10 0 DHAERN Cc1cc2ccccc2nc1N[C@H]1CCc2nnc(C(C)C)n2C1 ZINC000177912734 337159081 /nfs/dbraw/zinc/15/90/81/337159081.db2.gz BTODQWDTEFSSBI-HNNXBMFYSA-N 0 0 321.428 3.685 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(Br)s2)o1 ZINC000220903724 337167078 /nfs/dbraw/zinc/16/70/78/337167078.db2.gz LGNSEPBZXAYHES-QMMMGPOBSA-N 0 0 301.209 3.658 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)c1 ZINC000178886420 337167380 /nfs/dbraw/zinc/16/73/80/337167380.db2.gz VZENPVZYVIJLIF-HZPDHXFCSA-N 0 0 303.450 3.571 10 0 DHAERN COc1cccc2[nH]cc(CC(=O)N[C@H](C)c3cccs3)c21 ZINC000179957105 337172812 /nfs/dbraw/zinc/17/28/12/337172812.db2.gz FRFLKQCIQFVRIJ-LLVKDONJSA-N 0 0 314.410 3.658 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000180362372 337173838 /nfs/dbraw/zinc/17/38/38/337173838.db2.gz PLNMSVZNSUZLQP-JKSUJKDBSA-N 0 0 321.465 3.766 10 0 DHAERN CCc1ccnc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 ZINC000180152621 337174941 /nfs/dbraw/zinc/17/49/41/337174941.db2.gz QRCQSALYQJECBW-GOSISDBHSA-N 0 0 324.424 3.636 10 0 DHAERN CN1CCc2ccc(NC(=O)N3CCC[C@H]3c3ccco3)cc21 ZINC000180292260 337175741 /nfs/dbraw/zinc/17/57/41/337175741.db2.gz MTIBDBJSAUDGIR-HNNXBMFYSA-N 0 0 311.385 3.641 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)C1 ZINC000180640478 337176726 /nfs/dbraw/zinc/17/67/26/337176726.db2.gz ZIMZAASNIUPJDS-MNOVXSKESA-N 0 0 317.355 3.846 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000180939099 337178628 /nfs/dbraw/zinc/17/86/28/337178628.db2.gz ARCSPPQUKGIKNN-OAHLLOKOSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3CCS[C@@H](C)C3)s2)o1 ZINC000180936366 337178661 /nfs/dbraw/zinc/17/86/61/337178661.db2.gz IAAQVGCVOVCKAM-NSHDSACASA-N 0 0 307.440 3.894 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3[C@@H](C)COC[C@@H]3C)s2)o1 ZINC000181062530 337179626 /nfs/dbraw/zinc/17/96/26/337179626.db2.gz MTSGSAZKUDXVNU-QWRGUYRKSA-N 0 0 305.399 3.566 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC(C)(C)C1 ZINC000181160568 337182125 /nfs/dbraw/zinc/18/21/25/337182125.db2.gz OVSYSKMOLNNACM-IIAWOOMASA-N 0 0 317.477 3.718 10 0 DHAERN COCc1ccsc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000181516627 337182738 /nfs/dbraw/zinc/18/27/38/337182738.db2.gz JTHSTFOPXWBTFJ-LBPRGKRZSA-N 0 0 322.455 3.718 10 0 DHAERN C[C@H](NCc1nnc(C2CCC2)n1C)c1cccc(Cl)c1 ZINC000181573963 337183026 /nfs/dbraw/zinc/18/30/26/337183026.db2.gz BUPDEPQIPXBODC-NSHDSACASA-N 0 0 304.825 3.587 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)C[C@@H]2c2cccnc2)o1 ZINC000183000744 337190925 /nfs/dbraw/zinc/19/09/25/337190925.db2.gz ZYXUPGBXJDDARZ-DUVNUKRYSA-N 0 0 313.401 3.837 10 0 DHAERN CCn1cc(C2CCN(Cc3ncc(C(C)C)s3)CC2)cn1 ZINC000183034446 337191077 /nfs/dbraw/zinc/19/10/77/337191077.db2.gz FAHSXROAIFPAAN-UHFFFAOYSA-N 0 0 318.490 3.863 10 0 DHAERN CCc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1F ZINC000183348167 337191449 /nfs/dbraw/zinc/19/14/49/337191449.db2.gz TXNODMBRKJZFKK-INIZCTEOSA-N 0 0 316.380 3.870 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(C)(C)C1 ZINC000183702260 337193047 /nfs/dbraw/zinc/19/30/47/337193047.db2.gz XXUAHEGYWYSUSO-RYUDHWBXSA-N 0 0 316.401 3.532 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)C2 ZINC000183776126 337193420 /nfs/dbraw/zinc/19/34/20/337193420.db2.gz UYTWDDYMNZQEQA-ZIAGYGMSSA-N 0 0 317.477 3.501 10 0 DHAERN Cc1c2ccccc2oc1[C@@H](C)NCc1nnc(C(C)C)n1C ZINC000183582513 337193597 /nfs/dbraw/zinc/19/35/97/337193597.db2.gz QYSFLVPEZJYANW-CYBMUJFWSA-N 0 0 312.417 3.844 10 0 DHAERN CC(C)Cn1ccnc1CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183989884 337194290 /nfs/dbraw/zinc/19/42/90/337194290.db2.gz YPRSKZDSDUBQJE-GJZGRUSLSA-N 0 0 305.466 3.618 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2cn[nH]c2)CC(C)(C)C1 ZINC000184136483 337196555 /nfs/dbraw/zinc/19/65/55/337196555.db2.gz DMCQODCTXBDVFZ-IIAWOOMASA-N 0 0 303.450 3.926 10 0 DHAERN COc1ccc(CN(C)C(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cc1O ZINC000184194061 337196864 /nfs/dbraw/zinc/19/68/64/337196864.db2.gz IPZHJJSLOWWMGA-DZGCQCFKSA-N 0 0 319.445 3.822 10 0 DHAERN COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1O ZINC000184194043 337196891 /nfs/dbraw/zinc/19/68/91/337196891.db2.gz IPZHJJSLOWWMGA-UKRRQHHQSA-N 0 0 319.445 3.822 10 0 DHAERN COc1ccc([C@@H](C)CNc2cccc3c2OCC[C@@H]3O)cc1 ZINC000184064206 337197086 /nfs/dbraw/zinc/19/70/86/337197086.db2.gz XJUPZJUQDIIFPI-UGSOOPFHSA-N 0 0 313.397 3.727 10 0 DHAERN Cc1c(Br)cccc1NC(=O)c1ccccc1N ZINC000227419401 337205835 /nfs/dbraw/zinc/20/58/35/337205835.db2.gz IHQNNTZLSLBAFH-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CCSc1cccc(CN[C@@H](C)c2nnc3n2CCCC3)c1 ZINC000185558146 337249045 /nfs/dbraw/zinc/24/90/45/337249045.db2.gz HYKSYWVCCWTLGO-ZDUSSCGKSA-N 0 0 316.474 3.577 10 0 DHAERN Cc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000185905146 337251450 /nfs/dbraw/zinc/25/14/50/337251450.db2.gz SKJPFDGPUNNGNK-MRXNPFEDSA-N 0 0 321.380 3.751 10 0 DHAERN CCOc1ccc(N[C@@H]2C[C@H](OCC)C23CCOCC3)c(C)c1 ZINC000186445556 337256205 /nfs/dbraw/zinc/25/62/05/337256205.db2.gz MGQBAJJJANOGTL-MSOLQXFVSA-N 0 0 319.445 3.780 10 0 DHAERN CC(C)c1nc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cs1 ZINC000186364401 337256766 /nfs/dbraw/zinc/25/67/66/337256766.db2.gz UYLWEGHTQRINHD-RYUDHWBXSA-N 0 0 319.478 3.606 10 0 DHAERN COc1cc(NC(=O)N2CCC[C@@H]2c2ccco2)ccc1F ZINC000187133790 337262915 /nfs/dbraw/zinc/26/29/15/337262915.db2.gz IZEXAYFBMHWHHZ-CYBMUJFWSA-N 0 0 304.321 3.796 10 0 DHAERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089256 337270423 /nfs/dbraw/zinc/27/04/23/337270423.db2.gz PNBJEHFIFHPAKI-DOMZBBRYSA-N 0 0 302.397 3.555 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000188957294 337276903 /nfs/dbraw/zinc/27/69/03/337276903.db2.gz HUDWGBVQYMHXIU-QMTHXVAHSA-N 0 0 316.228 3.767 10 0 DHAERN CCC[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(F)cc1F ZINC000189310910 337278748 /nfs/dbraw/zinc/27/87/48/337278748.db2.gz JBFSGCDNXFUMEW-KFNAQCHYSA-N 0 0 311.372 3.737 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000190061970 337284950 /nfs/dbraw/zinc/28/49/50/337284950.db2.gz WEYAORUGPSCQPH-QGTPRVQTSA-N 0 0 301.430 3.849 10 0 DHAERN COc1ccc2c(c1NC(=O)N[C@H](C)c1ccc(C)o1)CCC2 ZINC000191353079 337296156 /nfs/dbraw/zinc/29/61/56/337296156.db2.gz VHMMKKZMNZQHIT-GFCCVEGCSA-N 0 0 314.385 3.968 10 0 DHAERN C[C@H](NCc1ncccn1)c1c(Cl)ccc(F)c1Cl ZINC000192150193 337303354 /nfs/dbraw/zinc/30/33/54/337303354.db2.gz BHDYKNVUSWJWKL-QMMMGPOBSA-N 0 0 300.164 3.773 10 0 DHAERN O=C(c1ccccc1)[C@@H](F)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000584600479 337370670 /nfs/dbraw/zinc/37/06/70/337370670.db2.gz GZGPWRPCWNQQMQ-CABCVRRESA-N 0 0 312.262 3.658 10 0 DHAERN CCO[C@H]1C[C@]2(C)C(=O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000584602510 337371055 /nfs/dbraw/zinc/37/10/55/337371055.db2.gz OFRIWFNYJRTGFU-CAVMOMJPSA-N 0 0 314.425 3.832 10 0 DHAERN COc1cc2c(cc1C=O)[C@H]1CC[C@]3(C)C(=O)CC[C@H]3[C@@H]1CC2 ZINC000584602434 337371068 /nfs/dbraw/zinc/37/10/68/337371068.db2.gz ITHSAKCJIBPZHY-MQJTVSLUSA-N 0 0 312.409 3.933 10 0 DHAERN COP(=O)(OC)C(=O)[C@H](C)c1ccc(Br)cc1 ZINC000584602479 337371070 /nfs/dbraw/zinc/37/10/70/337371070.db2.gz JHSTTXIIMNNLIH-MRVPVSSYSA-N 0 0 321.107 3.565 10 0 DHAERN O=C(c1ccccn1)c1ccnc2cc(C(F)(F)F)ccc21 ZINC000584606060 337371743 /nfs/dbraw/zinc/37/17/43/337371743.db2.gz JSURKXGEUBEJDS-UHFFFAOYSA-N 0 0 302.255 3.880 10 0 DHAERN Nc1ccc2[nH]cc(C3CCN(C(=O)C4CCCC4)CC3)c2c1 ZINC000584606587 337371745 /nfs/dbraw/zinc/37/17/45/337371745.db2.gz ZYFSBEREDYWJED-UHFFFAOYSA-N 0 0 311.429 3.646 10 0 DHAERN CCCNC(=O)CNc1ccc(-c2ccc(OCC)cc2)cc1 ZINC000584590819 337373415 /nfs/dbraw/zinc/37/34/15/337373415.db2.gz WWOLYNHGHGEJRS-UHFFFAOYSA-N 0 0 312.413 3.690 10 0 DHAERN COc1c(F)cc(-c2csc(NC(C)=O)n2)cc1Cl ZINC000584591101 337373475 /nfs/dbraw/zinc/37/34/75/337373475.db2.gz HTWCWEUORVYUOF-UHFFFAOYSA-N 0 0 300.742 3.570 10 0 DHAERN C[C@@H]1C=C2C=CCC[C@]2(C)[C@H]2[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000584591630 337373505 /nfs/dbraw/zinc/37/35/05/337373505.db2.gz NSEPTOCJUHYHQF-JBPADPLDSA-N 0 0 302.458 3.693 10 0 DHAERN CCOC(=O)[C@H](Cc1ccc(C)c(Cl)c1)C(=O)C(F)(F)F ZINC000584596361 337374218 /nfs/dbraw/zinc/37/42/18/337374218.db2.gz XVQUHFUUIHQNBA-SNVBAGLBSA-N 0 0 322.710 3.502 10 0 DHAERN O=C1Nc2ccc(F)cc2N[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000584621556 337374923 /nfs/dbraw/zinc/37/49/23/337374923.db2.gz WZTFKXFYRNOGPM-ZDUSSCGKSA-N 0 0 310.250 3.950 10 0 DHAERN C[C@@](O)(c1ccc(O)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629689 337376562 /nfs/dbraw/zinc/37/65/62/337376562.db2.gz OIAKROPZZAXBON-VQTJNVASSA-N 0 0 305.377 3.827 10 0 DHAERN C[C@](O)(c1ccc(O)cc1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629687 337376635 /nfs/dbraw/zinc/37/66/35/337376635.db2.gz OIAKROPZZAXBON-PMACEKPBSA-N 0 0 305.377 3.827 10 0 DHAERN CCOC(=O)c1cnc2ccc(-c3ccccc3C)cc2c1O ZINC000584654518 337377696 /nfs/dbraw/zinc/37/76/96/337377696.db2.gz LWAVYNVNVYGCFT-UHFFFAOYSA-N 0 0 307.349 3.680 10 0 DHAERN CC[C@](O)(CC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 ZINC000584637128 337379347 /nfs/dbraw/zinc/37/93/47/337379347.db2.gz YEVIHJCBAZQOQP-KRWDZBQOSA-N 0 0 309.837 3.586 10 0 DHAERN C=Cc1ccc2c(c1)[C@H](Nc1ncc3c(n1)CCCC3=O)CC2 ZINC000584637301 337379399 /nfs/dbraw/zinc/37/93/99/337379399.db2.gz TUMZHBHWJLLEOP-QGZVFWFLSA-N 0 0 305.381 3.738 10 0 DHAERN [O-][n+]1cc2nc(C34CC5CC(CC(C5)C3)C4)[nH]c2c2ccccc21 ZINC000584653376 337381311 /nfs/dbraw/zinc/38/13/11/337381311.db2.gz DUVVHKXLYQHVEH-UHFFFAOYSA-N 0 0 319.408 3.817 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC1=CCCCC1 ZINC000106774327 337387196 /nfs/dbraw/zinc/38/71/96/337387196.db2.gz PGNIZBFGJIXLFZ-INIZCTEOSA-N 0 0 301.434 3.591 10 0 DHAERN O=C(CCc1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000028666082 337388398 /nfs/dbraw/zinc/38/83/98/337388398.db2.gz ZQDGLXSKMYYRJJ-MRXNPFEDSA-N 0 0 315.800 3.913 10 0 DHAERN Cc1cnccc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000311521716 337389153 /nfs/dbraw/zinc/38/91/53/337389153.db2.gz DZMIMMOSCBKATN-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN O=C(c1ccc2ccccc2c1)N1CCO[C@H](c2nccs2)C1 ZINC000110880789 337389217 /nfs/dbraw/zinc/38/92/17/337389217.db2.gz SDIBUVSVWYSVNR-INIZCTEOSA-N 0 0 324.405 3.510 10 0 DHAERN O=C(CCCC1CCCCC1)N1CCO[C@@H](c2nccs2)C1 ZINC000110874299 337389245 /nfs/dbraw/zinc/38/92/45/337389245.db2.gz GKPHHJPQDHMIIK-OAHLLOKOSA-N 0 0 322.474 3.794 10 0 DHAERN COc1ccc(CCCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116045641 337392279 /nfs/dbraw/zinc/39/22/79/337392279.db2.gz WSTZQMVUMXRACC-QGZVFWFLSA-N 0 0 313.397 3.975 10 0 DHAERN CCC1(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)CCCC1 ZINC000119341301 337394668 /nfs/dbraw/zinc/39/46/68/337394668.db2.gz YFVNHEDFYABGNI-OAHLLOKOSA-N 0 0 303.450 3.671 10 0 DHAERN CSCCCC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000120007220 337395426 /nfs/dbraw/zinc/39/54/26/337395426.db2.gz WXDYJOMSHUUYBR-OAHLLOKOSA-N 0 0 307.459 3.508 10 0 DHAERN CC1(C)C[C@H](NC(=O)Cc2ccsc2)c2ccccc2O1 ZINC000121385131 337396422 /nfs/dbraw/zinc/39/64/22/337396422.db2.gz RLLFLSAKENVTEQ-AWEZNQCLSA-N 0 0 301.411 3.709 10 0 DHAERN CC[C@@H](CC(=O)N1CCC(c2cnn(CC)c2)CC1)C(C)C ZINC000123535097 337399736 /nfs/dbraw/zinc/39/97/36/337399736.db2.gz PSXAFUROJRTWPN-HNNXBMFYSA-N 0 0 305.466 3.681 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000123536172 337399838 /nfs/dbraw/zinc/39/98/38/337399838.db2.gz AUNZNPMMDZLTIH-QAPCUYQASA-N 0 0 323.440 3.660 10 0 DHAERN CCn1cc(C2CCN(C(=O)[C@@H](C)CC3CCCC3)CC2)cn1 ZINC000123764109 337401164 /nfs/dbraw/zinc/40/11/64/337401164.db2.gz KTLXOYTWVDXXFE-HNNXBMFYSA-N 0 0 317.477 3.825 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1ccncc1)c1cccs1 ZINC000043288782 337410732 /nfs/dbraw/zinc/41/07/32/337410732.db2.gz CMRYSTINAFRKQG-TZMCWYRMSA-N 0 0 301.415 3.751 10 0 DHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125399775 337411353 /nfs/dbraw/zinc/41/13/53/337411353.db2.gz YOOMZAWHIGDMFI-HNNXBMFYSA-N 0 0 311.429 3.618 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(-n3cccn3)cc2)o1 ZINC000126001923 337414919 /nfs/dbraw/zinc/41/49/19/337414919.db2.gz KUCXHSCCPQQPJL-ZDUSSCGKSA-N 0 0 310.357 3.656 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@@H]2CCCS2)o1 ZINC000126445676 337416863 /nfs/dbraw/zinc/41/68/63/337416863.db2.gz RYCCOUFXGGWQLI-KBPBESRZSA-N 0 0 308.447 3.720 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)no1 ZINC000127848100 337422767 /nfs/dbraw/zinc/42/27/67/337422767.db2.gz BKCRDKCXZRIYOF-CYBMUJFWSA-N 0 0 317.437 3.551 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)c1c(F)cc(F)cc1F ZINC000129048154 337428007 /nfs/dbraw/zinc/42/80/07/337428007.db2.gz QZGMGUZQILATCW-HNNXBMFYSA-N 0 0 305.299 3.911 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(F)cc2F)o1 ZINC000047924019 337431966 /nfs/dbraw/zinc/43/19/66/337431966.db2.gz OAWCFPAJDCBRFS-GHMZBOCLSA-N 0 0 308.328 3.988 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)O1 ZINC000130278212 337432697 /nfs/dbraw/zinc/43/26/97/337432697.db2.gz AZVPYGUSNZTWJM-DOMZBBRYSA-N 0 0 321.467 3.906 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000131351862 337437371 /nfs/dbraw/zinc/43/73/71/337437371.db2.gz GSHOUYHCXYMTNF-CABCVRRESA-N 0 0 306.475 3.751 10 0 DHAERN Cc1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)c(Cl)cc1F ZINC000131570432 337438223 /nfs/dbraw/zinc/43/82/23/337438223.db2.gz QYFYUUXVGVUEFN-UHFFFAOYSA-N 0 0 321.783 3.530 10 0 DHAERN CSCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 ZINC000049536048 337438930 /nfs/dbraw/zinc/43/89/30/337438930.db2.gz UIIDGAHOWUALSB-LBPRGKRZSA-N 0 0 306.456 3.713 10 0 DHAERN CC(C)OCCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000056941716 337457477 /nfs/dbraw/zinc/45/74/77/337457477.db2.gz NVONQMJPTDGHMY-LLVKDONJSA-N 0 0 316.804 3.654 10 0 DHAERN C[C@H](c1ccccc1F)N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000194696565 337463354 /nfs/dbraw/zinc/46/33/54/337463354.db2.gz OWMYBKNVIOFABZ-WBMJQRKESA-N 0 0 314.360 3.662 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@H]1CCCc2cccnc21 ZINC000194804412 337463881 /nfs/dbraw/zinc/46/38/81/337463881.db2.gz AINWODKMQMCNIZ-ZWKOTPCHSA-N 0 0 324.399 3.834 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1ncccc1Br ZINC000194880450 337463923 /nfs/dbraw/zinc/46/39/23/337463923.db2.gz UQEMMQXDTPUEBX-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN Cn1c(CNc2ccccc2-c2ccccc2)nnc1C1CC1 ZINC000194986804 337464556 /nfs/dbraw/zinc/46/45/56/337464556.db2.gz AWWBDVAWXOXFAI-UHFFFAOYSA-N 0 0 304.397 3.972 10 0 DHAERN Cc1cccc(NC(=O)CN2CCCC[C@H]2c2nccs2)c1 ZINC000195368188 337466100 /nfs/dbraw/zinc/46/61/00/337466100.db2.gz FJDYRISCMMCHNA-HNNXBMFYSA-N 0 0 315.442 3.617 10 0 DHAERN CC(C)(C)c1noc(CN2CCCC[C@H]2c2nccs2)n1 ZINC000195361121 337466135 /nfs/dbraw/zinc/46/61/35/337466135.db2.gz PLPGPJBNJQQMNE-NSHDSACASA-N 0 0 306.435 3.551 10 0 DHAERN CCCc1nc(CN2CCC(c3cnn(CC)c3)CC2)cs1 ZINC000195513128 337468056 /nfs/dbraw/zinc/46/80/56/337468056.db2.gz LXISJDXTIQBQPY-UHFFFAOYSA-N 0 0 318.490 3.692 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)N[C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000245514217 337473627 /nfs/dbraw/zinc/47/36/27/337473627.db2.gz FHDGZULXMLYTAW-JFUSQASVSA-N 0 0 304.287 3.527 10 0 DHAERN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@H](C)O2)cc1 ZINC000245974198 337500664 /nfs/dbraw/zinc/50/06/64/337500664.db2.gz FYZGNOGIUHTTTG-JCGIZDLHSA-N 0 0 317.429 3.706 10 0 DHAERN C[C@H](C(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(Cl)s1 ZINC000246435515 337547744 /nfs/dbraw/zinc/54/77/44/337547744.db2.gz TZUVZSDDAAHMPJ-TUAOUCFPSA-N 0 0 313.850 3.675 10 0 DHAERN CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H](C)C(C)C)c1 ZINC000075469811 337553793 /nfs/dbraw/zinc/55/37/93/337553793.db2.gz ZJYBYBUQRSVTTP-HNNXBMFYSA-N 0 0 318.461 3.723 10 0 DHAERN COC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000246707402 337554537 /nfs/dbraw/zinc/55/45/37/337554537.db2.gz XSQYJNKJWPXNFS-IIDMSEBBSA-N 0 0 316.445 3.693 10 0 DHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1 ZINC000247013605 337556956 /nfs/dbraw/zinc/55/69/56/337556956.db2.gz VLYXOIOJQICSGK-QXCFHYIPSA-N 0 0 315.457 3.927 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC000248603463 337566031 /nfs/dbraw/zinc/56/60/31/337566031.db2.gz UYTWDDYMNZQEQA-FICVDOATSA-N 0 0 317.477 3.501 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCC[C@H]3C)C2)n1 ZINC000249027549 337569316 /nfs/dbraw/zinc/56/93/16/337569316.db2.gz RWQWZEJLCWWVTL-BPLDGKMQSA-N 0 0 306.475 3.984 10 0 DHAERN Cc1ccc(N)cc1C(=O)N[C@@H](c1ccc(F)cc1F)C(C)C ZINC000262445255 337618175 /nfs/dbraw/zinc/61/81/75/337618175.db2.gz YOHBHMHRMNLHSE-QGZVFWFLSA-N 0 0 318.367 3.983 10 0 DHAERN CC(C)(C)[C@@H]([NH2+]CCC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000263363696 337626938 /nfs/dbraw/zinc/62/69/38/337626938.db2.gz ZDYKBRKCWJWRAG-ZDUSSCGKSA-N 0 0 303.324 3.857 10 0 DHAERN CCCCCC[C@H](CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081579374 337725952 /nfs/dbraw/zinc/72/59/52/337725952.db2.gz WTQCRRGHOHSKGQ-GJZGRUSLSA-N 0 0 306.454 3.534 10 0 DHAERN C[C@H](NC(=O)Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1 ZINC000044202857 337808578 /nfs/dbraw/zinc/80/85/78/337808578.db2.gz UXCKRCSYJKWIIY-GUYCJALGSA-N 0 0 318.417 3.697 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccc(OCC2CC2)cc1 ZINC000055128585 337845596 /nfs/dbraw/zinc/84/55/96/337845596.db2.gz JKDPUTRDGFMGHO-GOSISDBHSA-N 0 0 323.392 3.729 10 0 DHAERN CC[C@@H](O)CCNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000119113403 337854634 /nfs/dbraw/zinc/85/46/34/337854634.db2.gz VMZIFVSJVKLBQP-CZUORRHYSA-N 0 0 306.450 3.505 10 0 DHAERN Cc1cncc(C(=O)N[C@@H](C)c2cccc(Br)c2)c1 ZINC000088449604 337861696 /nfs/dbraw/zinc/86/16/96/337861696.db2.gz PQCOEUWCRINIEQ-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1Cl ZINC000088559538 337862476 /nfs/dbraw/zinc/86/24/76/337862476.db2.gz ANVIGCKMODUYOX-SMDDNHRTSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@@H](NC(=O)CCCc1csc2ccccc12)[C@@H]1CCCO1 ZINC000119750000 337865089 /nfs/dbraw/zinc/86/50/89/337865089.db2.gz BTGLAUVCDDDVLR-CJNGLKHVSA-N 0 0 317.454 3.908 10 0 DHAERN COC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000119871143 337867101 /nfs/dbraw/zinc/86/71/01/337867101.db2.gz CYEQJXDLYNJEPR-DLBZAZTESA-N 0 0 315.413 3.557 10 0 DHAERN COc1cccc(C(=O)CCCCNC(=O)OC(C)(C)C)c1 ZINC000022005552 337867198 /nfs/dbraw/zinc/86/71/98/337867198.db2.gz WAPWHLZTPPUTHF-UHFFFAOYSA-N 0 0 307.390 3.573 10 0 DHAERN COCCC1(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCCC1 ZINC000119997648 337868876 /nfs/dbraw/zinc/86/88/76/337868876.db2.gz VZXGTRVDURGVQC-STQMWFEESA-N 0 0 321.383 3.821 10 0 DHAERN CCn1c(C)nnc1CSCc1nc(C(F)(F)F)cs1 ZINC000091037117 337888463 /nfs/dbraw/zinc/88/84/63/337888463.db2.gz ZDQWIFJZZHOAND-UHFFFAOYSA-N 0 0 322.381 3.515 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)O1 ZINC000121835962 337901808 /nfs/dbraw/zinc/90/18/08/337901808.db2.gz DHVOVQCPKISETJ-OAUYIBNBSA-N 0 0 305.393 3.741 10 0 DHAERN Cc1c(C(=O)N[C@@H]2CCCc3cc(F)ccc32)cnn1C(C)C ZINC000092572960 337905961 /nfs/dbraw/zinc/90/59/61/337905961.db2.gz JKEJYXYQBMZNAL-QGZVFWFLSA-N 0 0 315.392 3.719 10 0 DHAERN c1csc(C2=CCN(Cc3ncn(-c4ccccc4)n3)CC2)c1 ZINC000092797239 337909229 /nfs/dbraw/zinc/90/92/29/337909229.db2.gz IGNJKJAMORMMGX-UHFFFAOYSA-N 0 0 322.437 3.618 10 0 DHAERN CCO[C@H](C)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000097699501 337951980 /nfs/dbraw/zinc/95/19/80/337951980.db2.gz KADLNRMSBKXMMJ-HTQZYQBOSA-N 0 0 308.180 3.735 10 0 DHAERN CC1(C)CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCS1 ZINC000083643096 337995936 /nfs/dbraw/zinc/99/59/36/337995936.db2.gz VPVWLKUGTCUIMV-WDEREUQCSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@@H](NC(=O)N1CC2(CCCC2)c2ccccc21)[C@@H]1CCCO1 ZINC000083702920 337996952 /nfs/dbraw/zinc/99/69/52/337996952.db2.gz SHPOLIAHFZKCNJ-PBHICJAKSA-N 0 0 314.429 3.596 10 0 DHAERN CC(C)[C@H](C)NC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000084898405 338006485 /nfs/dbraw/zinc/00/64/85/338006485.db2.gz MGITXXPFTKHAFE-ZDUSSCGKSA-N 0 0 317.458 3.696 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1ccc(Cl)cc1Br ZINC000157481677 338424787 /nfs/dbraw/zinc/42/47/87/338424787.db2.gz JQTLWWJXKZEWBV-QMMMGPOBSA-N 0 0 304.615 3.877 10 0 DHAERN O=C(/C=C\c1ccc[nH]1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000491982572 339888311 /nfs/dbraw/zinc/88/83/11/339888311.db2.gz YZBCOOKCZGTODG-DOOKAGJSSA-N 0 0 322.408 3.981 10 0 DHAERN Cc1cc(Br)cc(N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000300420040 340225462 /nfs/dbraw/zinc/22/54/62/340225462.db2.gz JINWSHRYRGCKFU-MGPQQGTHSA-N 0 0 310.235 3.983 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccccc1Cl ZINC000172959129 340349986 /nfs/dbraw/zinc/34/99/86/340349986.db2.gz AZBJMBGASLRILR-CYBMUJFWSA-N 0 0 303.789 3.675 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)C(C)(C)c1ccccc1 ZINC000172976181 340350872 /nfs/dbraw/zinc/35/08/72/340350872.db2.gz BAXGYXYTPPXEHG-INIZCTEOSA-N 0 0 311.425 3.686 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Cc1cccc(Cl)c1 ZINC000172974459 340350921 /nfs/dbraw/zinc/35/09/21/340350921.db2.gz USJWOLVZZPNFQT-AWEZNQCLSA-N 0 0 317.816 3.604 10 0 DHAERN CC(C)(C)[C@@H](O)COc1cc(Br)cc(F)c1F ZINC000304228363 340361588 /nfs/dbraw/zinc/36/15/88/340361588.db2.gz JXMLAPDYYGQVFT-JTQLQIEISA-N 0 0 309.150 3.513 10 0 DHAERN CC(C)(C)[C@H](O)COc1cc(Br)cc(F)c1F ZINC000304228364 340361602 /nfs/dbraw/zinc/36/16/02/340361602.db2.gz JXMLAPDYYGQVFT-SNVBAGLBSA-N 0 0 309.150 3.513 10 0 DHAERN CCOCCCNC(=O)N1CCCC[C@H]1c1ccc(CC)o1 ZINC000173313841 340362144 /nfs/dbraw/zinc/36/21/44/340362144.db2.gz ZDVWHHUWELTRJV-HNNXBMFYSA-N 0 0 308.422 3.505 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C)C2)n1 ZINC000173320036 340362340 /nfs/dbraw/zinc/36/23/40/340362340.db2.gz TVLKLFIVGIGIPW-NWANDNLSSA-N 0 0 321.490 3.919 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000173337930 340362857 /nfs/dbraw/zinc/36/28/57/340362857.db2.gz JQUVYSCRRYJGHM-HUUCEWRRSA-N 0 0 316.445 3.564 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCCCC(C)(C)CO)cc1 ZINC000173399849 340364184 /nfs/dbraw/zinc/36/41/84/340364184.db2.gz KOKFIHUFQQJQDG-OAHLLOKOSA-N 0 0 320.477 3.969 10 0 DHAERN CC(C)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000174486404 340389766 /nfs/dbraw/zinc/38/97/66/340389766.db2.gz JPRTVCWOMFJKSJ-GJZGRUSLSA-N 0 0 307.384 3.963 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174557111 340391518 /nfs/dbraw/zinc/39/15/18/340391518.db2.gz YIORAYGHWDTDFN-AWEZNQCLSA-N 0 0 316.376 3.861 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)c1C ZINC000174946286 340400011 /nfs/dbraw/zinc/40/00/11/340400011.db2.gz RPUBFUBPOCCDPH-SZMVWBNQSA-N 0 0 316.445 3.717 10 0 DHAERN CCc1nc(C2(NC(=O)C[C@H](CC)C(C)C)CCCC2)no1 ZINC000175156045 340404308 /nfs/dbraw/zinc/40/43/08/340404308.db2.gz DPEZZYDDOWGRQW-ZDUSSCGKSA-N 0 0 307.438 3.590 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)N[C@H](CC)COC)o1 ZINC000175176973 340404554 /nfs/dbraw/zinc/40/45/54/340404554.db2.gz WUOXVYKUQUSMES-UKRRQHHQSA-N 0 0 308.422 3.504 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000175342329 340409732 /nfs/dbraw/zinc/40/97/32/340409732.db2.gz PEIDFFGJQXEGKF-WBVHZDCISA-N 0 0 312.413 3.923 10 0 DHAERN Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000178938816 340452551 /nfs/dbraw/zinc/45/25/51/340452551.db2.gz VJJJDZVAGVKKOK-KSSFIOAISA-N 0 0 322.408 3.688 10 0 DHAERN Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088352483 340460119 /nfs/dbraw/zinc/46/01/19/340460119.db2.gz OCLZMBDYYHACDG-VIFPVBQESA-N 0 0 310.756 3.504 10 0 DHAERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC000517312194 340467766 /nfs/dbraw/zinc/46/77/66/340467766.db2.gz AWWIUJQCXFNYHT-MRXNPFEDSA-N 0 0 322.493 3.500 10 0 DHAERN CCCC[C@@H](NC(=O)c1cscc1C)C(=O)OC(C)(C)C ZINC000183630076 340488563 /nfs/dbraw/zinc/48/85/63/340488563.db2.gz NTVGNTYCSABYIW-CYBMUJFWSA-N 0 0 311.447 3.687 10 0 DHAERN CC(C)C[C@@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000185435686 340501043 /nfs/dbraw/zinc/50/10/43/340501043.db2.gz AAANYKDAAMKHHF-CYBMUJFWSA-N 0 0 307.438 3.761 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000188972361 340523871 /nfs/dbraw/zinc/52/38/71/340523871.db2.gz YVHGASHLYJZYJH-AUUYWEPGSA-N 0 0 309.409 3.740 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000190006917 340541883 /nfs/dbraw/zinc/54/18/83/340541883.db2.gz YWYROLRWGZNTMK-IMJJTQAJSA-N 0 0 321.848 3.689 10 0 DHAERN C[C@H]1CCN(C(=O)N[C@H]2CCc3cc(Cl)ccc32)CCS1 ZINC000192238603 340565132 /nfs/dbraw/zinc/56/51/32/340565132.db2.gz UVKLGQLTEHRJIG-NHYWBVRUSA-N 0 0 324.877 3.864 10 0 DHAERN O=C1N[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccccc1Cl ZINC000192404867 340566871 /nfs/dbraw/zinc/56/68/71/340566871.db2.gz GEBSADUOYRBKKP-CYBMUJFWSA-N 0 0 321.163 3.791 10 0 DHAERN C[C@@H](NC(=O)Cc1cnn(C)c1)c1ccc(-c2ccccc2)cc1 ZINC000195227339 340576317 /nfs/dbraw/zinc/57/63/17/340576317.db2.gz WCRLNZMFEOGZCV-OAHLLOKOSA-N 0 0 319.408 3.507 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021687 340588098 /nfs/dbraw/zinc/58/80/98/340588098.db2.gz RAYSWJCINNFMJJ-CABCVRRESA-N 0 0 312.413 3.607 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC(C)(C)C1 ZINC000194627831 340594098 /nfs/dbraw/zinc/59/40/98/340594098.db2.gz UVEZWYWOUTYVLV-GXTWGEPZSA-N 0 0 314.429 3.606 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(Br)cn1C(C)C ZINC000231691402 340625317 /nfs/dbraw/zinc/62/53/17/340625317.db2.gz OJFZBTBXDVLOGB-PWSUYJOCSA-N 0 0 313.239 3.750 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCC2(c3ccc(F)cc3)CC2)o1 ZINC000127454877 340851365 /nfs/dbraw/zinc/85/13/65/340851365.db2.gz XPNZDWURTZYGMQ-CYBMUJFWSA-N 0 0 316.376 3.819 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2COc3ccccc32)o1 ZINC000127839064 340856758 /nfs/dbraw/zinc/85/67/58/340856758.db2.gz NMUAOULKFFZUGH-JKSUJKDBSA-N 0 0 311.381 3.818 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2COc3ccccc32)o1 ZINC000127838411 340856784 /nfs/dbraw/zinc/85/67/84/340856784.db2.gz NMUAOULKFFZUGH-CVEARBPZSA-N 0 0 311.381 3.818 10 0 DHAERN C[C@H](NC(=O)N1CCOC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000130984480 341055562 /nfs/dbraw/zinc/05/55/62/341055562.db2.gz LWQZQWZMHMCVTK-HNNXBMFYSA-N 0 0 324.424 3.865 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](CCO)CC(C)C)cc1F ZINC000131091334 341059424 /nfs/dbraw/zinc/05/94/24/341059424.db2.gz XXBAXBZFIHWGEK-GJZGRUSLSA-N 0 0 324.440 3.539 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000131848632 341112607 /nfs/dbraw/zinc/11/26/07/341112607.db2.gz ATWXBNCMLCGSEP-NEPJUHHUSA-N 0 0 302.340 3.920 10 0 DHAERN COCCC1(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCCC1 ZINC000133159259 341159219 /nfs/dbraw/zinc/15/92/19/341159219.db2.gz AVTULFRJASTZGL-SJORKVTESA-N 0 0 307.478 3.916 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCO1 ZINC000076957189 341216179 /nfs/dbraw/zinc/21/61/79/341216179.db2.gz CQLUPDUQBZWPML-KURKYZTESA-N 0 0 301.430 3.551 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@@H](C)C1)c1ccc(F)cc1Cl ZINC000077669972 341228541 /nfs/dbraw/zinc/22/85/41/341228541.db2.gz TYULCNUQMKHRMK-VHSXEESVSA-N 0 0 316.829 3.687 10 0 DHAERN CSCCCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000077669368 341228593 /nfs/dbraw/zinc/22/85/93/341228593.db2.gz XIAUPVHYRMHZDJ-CYBMUJFWSA-N 0 0 302.443 3.953 10 0 DHAERN COCc1cccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000078352536 341240994 /nfs/dbraw/zinc/24/09/94/341240994.db2.gz QSILSKPFLBLOEX-GJZGRUSLSA-N 0 0 312.413 3.511 10 0 DHAERN C[C@@H]1CN(Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648235 341243286 /nfs/dbraw/zinc/24/32/86/341243286.db2.gz KHFDALACHSQXSZ-SECBINFHSA-N 0 0 304.228 3.526 10 0 DHAERN C[C@H]1CN(Cc2cc(F)cc(Br)c2)CCS1 ZINC000135648263 341243336 /nfs/dbraw/zinc/24/33/36/341243336.db2.gz KHFDALACHSQXSZ-VIFPVBQESA-N 0 0 304.228 3.526 10 0 DHAERN CC(C)CNC(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135716143 341244702 /nfs/dbraw/zinc/24/47/02/341244702.db2.gz IUPRBOSUUXLHHV-VIFPVBQESA-N 0 0 321.223 3.555 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cccc(Br)c1Cl ZINC000135996760 341249942 /nfs/dbraw/zinc/24/99/42/341249942.db2.gz XNWWOLWGTXYLIQ-MRVPVSSYSA-N 0 0 304.615 3.877 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cc(F)ccc1Br ZINC000136362994 341257528 /nfs/dbraw/zinc/25/75/28/341257528.db2.gz IDCWYEFJXFSJPI-QMMMGPOBSA-N 0 0 303.175 3.754 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CC[C@H]1c1ccccc1 ZINC000246047740 341322902 /nfs/dbraw/zinc/32/29/02/341322902.db2.gz PSWGXIJKXWSIDJ-AHCXZYCDSA-N 0 0 301.430 3.596 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)O1 ZINC000246247744 341337580 /nfs/dbraw/zinc/33/75/80/341337580.db2.gz HJLLBOLBRKASGO-KBAYOESNSA-N 0 0 301.430 3.568 10 0 DHAERN O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)N1CCC[C@H]1c1ccco1 ZINC000246276454 341339660 /nfs/dbraw/zinc/33/96/60/341339660.db2.gz HNCZYBDAQUSCGJ-KCITZHQASA-N 0 0 322.408 3.855 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)cc1 ZINC000246294802 341340459 /nfs/dbraw/zinc/34/04/59/341340459.db2.gz DOTKEFYVPHIWKR-YQYZPQCESA-N 0 0 301.430 3.978 10 0 DHAERN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)N[C@H]1CCOc2ccccc21 ZINC000246339778 341342897 /nfs/dbraw/zinc/34/28/97/341342897.db2.gz GVZXBEBPUUXVGN-OHFALNGGSA-N 0 0 314.429 3.873 10 0 DHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000246339787 341342951 /nfs/dbraw/zinc/34/29/51/341342951.db2.gz GVZXBEBPUUXVGN-YALNPMBYSA-N 0 0 314.429 3.873 10 0 DHAERN COC[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000246900954 341358452 /nfs/dbraw/zinc/35/84/52/341358452.db2.gz HDBJJZILFMBHCU-MNEFBYGVSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@H](C(=O)NC[C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1 ZINC000247045889 341360295 /nfs/dbraw/zinc/36/02/95/341360295.db2.gz VAHXDJOJYJVVLL-GDIGMMSISA-N 0 0 311.425 3.611 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000247123759 341361346 /nfs/dbraw/zinc/36/13/46/341361346.db2.gz JDRYJLDSIXYZAX-VOAKCMCISA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H](CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1CCCCC1 ZINC000247145694 341361478 /nfs/dbraw/zinc/36/14/78/341361478.db2.gz WOTBBUWAJIEIPU-HHXXYDBFSA-N 0 0 307.478 3.747 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000247161609 341361721 /nfs/dbraw/zinc/36/17/21/341361721.db2.gz ZLMTYFVXFDIKQQ-QABNGEJJSA-N 0 0 309.409 3.579 10 0 DHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](C)[C@H]2CCCO2)c1 ZINC000247874911 341370785 /nfs/dbraw/zinc/37/07/85/341370785.db2.gz NOGZIFOJYPSQEB-BFYDXBDKSA-N 0 0 319.445 3.569 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2cccs2)C12CCC2 ZINC000248057307 341372706 /nfs/dbraw/zinc/37/27/06/341372706.db2.gz XOFGMIKQGWZTBV-VHDGCEQUSA-N 0 0 322.474 3.798 10 0 DHAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(C(C)C)s1 ZINC000248500346 341378860 /nfs/dbraw/zinc/37/88/60/341378860.db2.gz SOHKILYSGFWELB-RDBSUJKOSA-N 0 0 322.474 3.573 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)NC[C@H](CCO)c2ccccc2)CC(C)(C)C1 ZINC000248529922 341379205 /nfs/dbraw/zinc/37/92/05/341379205.db2.gz DWPATTLZHFUTBW-BPQIPLTHSA-N 0 0 317.473 3.731 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000248574795 341380217 /nfs/dbraw/zinc/38/02/17/341380217.db2.gz OZZXVJZEDNKBQE-MYZZLAAOSA-N 0 0 315.457 3.940 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000249475045 341398098 /nfs/dbraw/zinc/39/80/98/341398098.db2.gz JHRWQDVTPKINCK-SZMVWBNQSA-N 0 0 301.430 3.864 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C)CC[C@H]1c1ccccc1 ZINC000249635263 341399988 /nfs/dbraw/zinc/39/99/88/341399988.db2.gz RRYGDNUPXDFNDV-QFHJOOASSA-N 0 0 315.457 3.844 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000253271778 341452390 /nfs/dbraw/zinc/45/23/90/341452390.db2.gz ARPVONXVKIBVGH-YJLNNSPDSA-N 0 0 313.441 3.870 10 0 DHAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000153080289 341523714 /nfs/dbraw/zinc/52/37/14/341523714.db2.gz QWQZMCHRRDOVBD-MPGHIAIKSA-N 0 0 316.445 3.836 10 0 DHAERN COCc1cccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000153319833 341534850 /nfs/dbraw/zinc/53/48/50/341534850.db2.gz AYMOMDMODHDWPR-SFHVURJKSA-N 0 0 313.372 3.780 10 0 DHAERN CC(C)[C@@H](O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000153868951 341580416 /nfs/dbraw/zinc/58/04/16/341580416.db2.gz FQZHVUYSVCSTQR-NSHDSACASA-N 0 0 309.715 3.704 10 0 DHAERN COCCCCCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000154811550 341596410 /nfs/dbraw/zinc/59/64/10/341596410.db2.gz NRCMFWNNKVSJQU-YOEHRIQHSA-N 0 0 304.434 3.741 10 0 DHAERN CC(C)[C@H](O)CC(=O)NCc1ccccc1Oc1ccccc1 ZINC000157976203 341648753 /nfs/dbraw/zinc/64/87/53/341648753.db2.gz KLECAKGRDQHWIO-QGZVFWFLSA-N 0 0 313.397 3.502 10 0 DHAERN COc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000168654919 341747358 /nfs/dbraw/zinc/74/73/58/341747358.db2.gz FLMRRWDYVPCPCS-HNNXBMFYSA-N 0 0 323.314 3.599 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000171521237 341779105 /nfs/dbraw/zinc/77/91/05/341779105.db2.gz GDJHHFCRWWXUHE-ZDUSSCGKSA-N 0 0 322.412 3.583 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)s1 ZINC000176329917 341869120 /nfs/dbraw/zinc/86/91/20/341869120.db2.gz YPSSMLHTDDEBLH-LLVKDONJSA-N 0 0 320.418 3.932 10 0 DHAERN CSCCCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000346093586 341910799 /nfs/dbraw/zinc/91/07/99/341910799.db2.gz NTKFJMFMZFBUMN-JTQLQIEISA-N 0 0 316.264 3.770 10 0 DHAERN CC(C)c1nnc(CN2CC3(CCCC3)c3ccccc32)n1C ZINC000177292753 341918392 /nfs/dbraw/zinc/91/83/92/341918392.db2.gz NUJNZJMFDOGJAF-UHFFFAOYSA-N 0 0 310.445 3.771 10 0 DHAERN CC(C)OCCCC(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000182585351 519757375 /nfs/dbraw/zinc/75/73/75/519757375.db2.gz SZRWTTMONOUOOT-KRWDZBQOSA-N 0 0 319.445 3.570 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)c(Cl)c1 ZINC000190735358 519781004 /nfs/dbraw/zinc/78/10/04/519781004.db2.gz GVQRIYYELLWPLI-YPMHNXCESA-N 0 0 311.809 3.881 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000153477840 519812856 /nfs/dbraw/zinc/81/28/56/519812856.db2.gz PLMYNWPJOYFLJB-QWHCGFSZSA-N 0 0 301.390 3.746 10 0 DHAERN CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCCO[C@H]1C)C2 ZINC000190905676 519843843 /nfs/dbraw/zinc/84/38/43/519843843.db2.gz WCMWBQSZIDQMMC-WMLDXEAASA-N 0 0 301.430 3.510 10 0 DHAERN CC(C)c1nnc(CN[C@@H](C)c2c(F)cccc2Cl)n1C ZINC000181757309 519887284 /nfs/dbraw/zinc/88/72/84/519887284.db2.gz ASUKIGPFPDFCTI-JTQLQIEISA-N 0 0 310.804 3.582 10 0 DHAERN CC(C)c1nnc(CNC2(c3ccc(F)cc3)CCCC2)n1C ZINC000107899591 519887395 /nfs/dbraw/zinc/88/73/95/519887395.db2.gz ZSBXNOOREQQFHX-UHFFFAOYSA-N 0 0 316.424 3.637 10 0 DHAERN CCCNc1ccc(CNC(=O)[C@@H](OC)c2ccccc2)cc1 ZINC000193036526 520160319 /nfs/dbraw/zinc/16/03/19/520160319.db2.gz ZLXAQOOWCJECFP-SFHVURJKSA-N 0 0 312.413 3.512 10 0 DHAERN CCCCC[C@@H](NCc1nnc(CC)n1C)c1ccccc1 ZINC000181743367 520294225 /nfs/dbraw/zinc/29/42/25/520294225.db2.gz JWZAETPGIDHSKE-MRXNPFEDSA-N 0 0 300.450 3.789 10 0 DHAERN CCN(CC(C)(C)O)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000162476756 520401258 /nfs/dbraw/zinc/40/12/58/520401258.db2.gz JDZNHMQWFKAXTM-CQSZACIVSA-N 0 0 314.429 3.703 10 0 DHAERN CCN(CC1CC1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121159917 520946274 /nfs/dbraw/zinc/94/62/74/520946274.db2.gz IEDSEZNCDCCWKY-OAHLLOKOSA-N 0 0 302.418 3.730 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1Br ZINC000233396260 521240286 /nfs/dbraw/zinc/24/02/86/521240286.db2.gz DSGDBVDMDKFVLR-KWQFWETISA-N 0 0 300.171 3.507 10 0 DHAERN CCOC(=O)[C@H](c1nc(-c2ccc(C)cc2)no1)c1ccccc1 ZINC000057353600 521274458 /nfs/dbraw/zinc/27/44/58/521274458.db2.gz AGJHBWNGVXNNII-INIZCTEOSA-N 0 0 322.364 3.740 10 0 DHAERN CCN(Cc1ccccn1)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181941426 521391191 /nfs/dbraw/zinc/39/11/91/521391191.db2.gz UTBVDXZOLAUNLE-KXBFYZLASA-N 0 0 323.440 3.855 10 0 DHAERN CCCc1noc(CN[C@@H](C)c2ccc(OCC(C)C)cc2)n1 ZINC000181390214 521584980 /nfs/dbraw/zinc/58/49/80/521584980.db2.gz HFTHGFLHKMOEIO-AWEZNQCLSA-N 0 0 317.433 3.908 10 0 DHAERN COc1c(CN(C)Cc2cccc3ccccc32)c(C)nn1C ZINC000127287132 521815402 /nfs/dbraw/zinc/81/54/02/521815402.db2.gz BYOFEEZCHIMVBK-UHFFFAOYSA-N 0 0 309.413 3.522 10 0 DHAERN COc1cc(Br)cc(N[C@@H](C)c2cn(C)nc2C)c1 ZINC000168970870 522027029 /nfs/dbraw/zinc/02/70/29/522027029.db2.gz CIVRWGBHDKNBQM-VIFPVBQESA-N 0 0 324.222 3.673 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000103358127 522179388 /nfs/dbraw/zinc/17/93/88/522179388.db2.gz OTSBOIJVEXBWQW-GFCCVEGCSA-N 0 0 304.415 3.648 10 0 DHAERN CCc1nn(C)c(Cl)c1CN1CCCC[C@H]1c1nccs1 ZINC000127627209 522663404 /nfs/dbraw/zinc/66/34/04/522663404.db2.gz PQGGNUKXFBNJGN-ZDUSSCGKSA-N 0 0 324.881 3.820 10 0 DHAERN CCc1nn(C)c(Cl)c1CN1CCCC[C@@H]1c1nccs1 ZINC000127626903 522665468 /nfs/dbraw/zinc/66/54/68/522665468.db2.gz PQGGNUKXFBNJGN-CYBMUJFWSA-N 0 0 324.881 3.820 10 0 DHAERN CCc1nnc(CN[C@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181730850 522747132 /nfs/dbraw/zinc/74/71/32/522747132.db2.gz VSGDYVYFJYAFAQ-CQSZACIVSA-N 0 0 317.433 3.908 10 0 DHAERN CCc1noc([C@H](C)N[C@H](C)c2ccccc2Br)n1 ZINC000114745609 522914428 /nfs/dbraw/zinc/91/44/28/522914428.db2.gz PADKMRJFVCUEEJ-ZJUUUORDSA-N 0 0 324.222 3.806 10 0 DHAERN COCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130533362 523128508 /nfs/dbraw/zinc/12/85/08/523128508.db2.gz VTDFEWDHZOUTNW-ZWKOTPCHSA-N 0 0 303.446 3.846 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000180259462 523152560 /nfs/dbraw/zinc/15/25/60/523152560.db2.gz MQCBZDRIKZEZCT-MRXNPFEDSA-N 0 0 324.831 3.886 10 0 DHAERN COCc1noc([C@@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008532 523270120 /nfs/dbraw/zinc/27/01/20/523270120.db2.gz LHAPERQULMRIJO-QWHCGFSZSA-N 0 0 303.406 3.751 10 0 DHAERN CO[C@@H](C)CCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000181748518 523384267 /nfs/dbraw/zinc/38/42/67/523384267.db2.gz MNRCUTUJDGEFJZ-HOCLYGCPSA-N 0 0 317.429 3.754 10 0 DHAERN CN(Cc1cccnc1)C(=O)N[C@@H]1c2ccccc2CCC1(C)C ZINC000127303137 523413435 /nfs/dbraw/zinc/41/34/35/523413435.db2.gz GAWLUEKZBASOHR-GOSISDBHSA-N 0 0 323.440 3.937 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2ccc(C)o2)CCO1 ZINC000180724522 523524739 /nfs/dbraw/zinc/52/47/39/523524739.db2.gz QQOZKKSUEOFWIJ-ARFHVFGLSA-N 0 0 305.418 3.847 10 0 DHAERN COc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(C)o2)cc1 ZINC000127617264 523892025 /nfs/dbraw/zinc/89/20/25/523892025.db2.gz JBODLYCIWSZERH-KRWDZBQOSA-N 0 0 313.397 3.893 10 0 DHAERN COc1ccc(CNC(=O)N[C@H](C)c2ccc(C)o2)cc1Cl ZINC000161994209 524061293 /nfs/dbraw/zinc/06/12/93/524061293.db2.gz YMVFIXJMCJIOGA-LLVKDONJSA-N 0 0 322.792 3.810 10 0 DHAERN COc1cccc2[nH]cc(CC(=O)N[C@@H](C)c3ccccc3C)c21 ZINC000179955038 524197718 /nfs/dbraw/zinc/19/77/18/524197718.db2.gz YPAAOJFLPDBNGT-AWEZNQCLSA-N 0 0 322.408 3.905 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCCSc3ccc(Cl)cc32)O1 ZINC000156722471 524629282 /nfs/dbraw/zinc/62/92/82/524629282.db2.gz VVZHVOFZJZLHLU-ZWNOBZJWSA-N 0 0 311.834 3.736 10 0 DHAERN COc1ccccc1[C@@H](NC(=O)N[C@@H](C)C(C)C)c1ccco1 ZINC000131130012 524738683 /nfs/dbraw/zinc/73/86/83/524738683.db2.gz SSHFEGUDECJFOM-SUMWQHHRSA-N 0 0 316.401 3.721 10 0 DHAERN Cc1cccc([C@@H](NC(=O)N[C@@H](C)C(C)C)c2ccccn2)c1 ZINC000124581797 524837942 /nfs/dbraw/zinc/83/79/42/524837942.db2.gz FIGBAZQUIOXMTE-MAUKXSAKSA-N 0 0 311.429 3.823 10 0 DHAERN Cc1cccc([C@H](NCc2nnc(C3CC3)n2C)C(C)(C)C)c1 ZINC000180787671 524884277 /nfs/dbraw/zinc/88/42/77/524884277.db2.gz WWNJVNKLZGFIQH-KRWDZBQOSA-N 0 0 312.461 3.878 10 0 DHAERN Cc1cccc2c(CCC(=O)N[C@@H]3COc4ccccc43)c[nH]c21 ZINC000152836105 524935793 /nfs/dbraw/zinc/93/57/93/524935793.db2.gz YWYOFZGTRVDBEE-QGZVFWFLSA-N 0 0 320.392 3.659 10 0 DHAERN C[C@H](NC(=O)CCc1ccccc1N)c1ccc(Cl)s1 ZINC000228105681 524939176 /nfs/dbraw/zinc/93/91/76/524939176.db2.gz GZLWVMKKGNTAKL-JTQLQIEISA-N 0 0 308.834 3.794 10 0 DHAERN C[C@H](NC(=O)C[C@H]1OCCc2ccccc21)c1cccs1 ZINC000172050657 524985770 /nfs/dbraw/zinc/98/57/70/524985770.db2.gz XVRCFQXZLWWHNX-SWLSCSKDSA-N 0 0 301.411 3.629 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000189184913 525014584 /nfs/dbraw/zinc/01/45/84/525014584.db2.gz WKTFMNFOUACUAN-RISCZKNCSA-N 0 0 315.335 3.935 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000187905249 525016926 /nfs/dbraw/zinc/01/69/26/525016926.db2.gz LJQMUNWQOAEILC-CRAIPNDOSA-N 0 0 313.397 3.624 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCC(=O)C[C@H]1C)c1ccc(F)c(Cl)c1 ZINC000138578545 525133343 /nfs/dbraw/zinc/13/33/43/525133343.db2.gz HTVFMWSQQBBCGC-GBIKHYSHSA-N 0 0 311.784 3.662 10 0 DHAERN C[C@@H](NC(=O)N(C)C[C@@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000175911995 525149330 /nfs/dbraw/zinc/14/93/30/525149330.db2.gz ZSAYYRFTMDJOLB-CABCVRRESA-N 0 0 318.461 3.723 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180499393 525329162 /nfs/dbraw/zinc/32/91/62/525329162.db2.gz LNSMACPTPWKMRC-LDWIPMOCSA-N 0 0 322.124 3.606 10 0 DHAERN CSC[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000066758553 525672542 /nfs/dbraw/zinc/67/25/42/525672542.db2.gz TZDUJAZJBCFDNX-VHSXEESVSA-N 0 0 316.264 3.625 10 0 DHAERN C[C@@]1(C(=O)N2CCC[C@H]2c2cccs2)CC1(Cl)Cl ZINC000068783140 525787078 /nfs/dbraw/zinc/78/70/78/525787078.db2.gz FAKNRQYKHJNZJX-CABZTGNLSA-N 0 0 304.242 3.996 10 0 DHAERN Cc1ccc(-c2nc(C)c(C(=O)N3CCS[C@@H](C)C3)s2)o1 ZINC000171570804 525802442 /nfs/dbraw/zinc/80/24/42/525802442.db2.gz RKJPQMGKMWMPSH-JTQLQIEISA-N 0 0 322.455 3.597 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2cc(F)c(F)c(F)c2)o1 ZINC000184631110 525906919 /nfs/dbraw/zinc/90/69/19/525906919.db2.gz PQVNSURFYLRVLA-MVWJERBFSA-N 0 0 323.314 3.986 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)c2c(C)n[nH]c2C)o1 ZINC000131939406 525993209 /nfs/dbraw/zinc/99/32/09/525993209.db2.gz YADPNZDFFPIEHG-SWLSCSKDSA-N 0 0 315.417 3.785 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C3CC3)on2)o1 ZINC000173016258 525994254 /nfs/dbraw/zinc/99/42/54/525994254.db2.gz VHXDXCBCOJLASX-CQSZACIVSA-N 0 0 300.358 3.821 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCc1ccncc1)[C@H](C)C2 ZINC000181912209 526202805 /nfs/dbraw/zinc/20/28/05/526202805.db2.gz WKULNTTYEDLQKX-DNVCBOLYSA-N 0 0 323.440 3.507 10 0 DHAERN Cc1cnccc1CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000187694990 526233266 /nfs/dbraw/zinc/23/32/66/526233266.db2.gz KGFODIBNSIAGPP-ACJLOTCBSA-N 0 0 309.413 3.828 10 0 DHAERN COc1cccc(OCCSCc2nccn2C(C)C)c1 ZINC000155658701 526234719 /nfs/dbraw/zinc/23/47/19/526234719.db2.gz CADBOLGSGQVCBS-UHFFFAOYSA-N 0 0 306.431 3.785 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C[C@H](C)c3ccccc3)C2)c1 ZINC000105857659 526266935 /nfs/dbraw/zinc/26/69/35/526266935.db2.gz BLRDNQVESBODTK-WMZOPIPTSA-N 0 0 311.429 3.549 10 0 DHAERN Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCO[C@H]3C)cc2)n1 ZINC000190980678 526301668 /nfs/dbraw/zinc/30/16/68/526301668.db2.gz IACMTHPOPOUZPC-SWLSCSKDSA-N 0 0 316.426 3.872 10 0 DHAERN Oc1ccccc1-c1nc(COc2ccccc2Cl)no1 ZINC000040542148 526368026 /nfs/dbraw/zinc/36/80/26/526368026.db2.gz UIMCVYUGOAOABR-UHFFFAOYSA-N 0 0 302.717 3.675 10 0 DHAERN c1[nH]c2ccccc2c1-c1noc(-c2n[nH]c3ccccc32)n1 ZINC000073637980 526393235 /nfs/dbraw/zinc/39/32/35/526393235.db2.gz MEJCQPLRCDJZSA-UHFFFAOYSA-N 0 0 301.309 3.761 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)N[C@H](C)c2ccc(C)o2)n1 ZINC000183001135 526430259 /nfs/dbraw/zinc/43/02/59/526430259.db2.gz LXOMREJACHKGMO-BXKDBHETSA-N 0 0 307.419 3.517 10 0 DHAERN c1cnn([C@@H]2CCCC[C@H]2Nc2noc(-c3ccccc3)n2)c1 ZINC000157818658 526556541 /nfs/dbraw/zinc/55/65/41/526556541.db2.gz UVURJFMMWHQZPK-HUUCEWRRSA-N 0 0 309.373 3.529 10 0 DHAERN O=C(NCc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079128 526673396 /nfs/dbraw/zinc/67/33/96/526673396.db2.gz ZXWRZAIDSSOUAN-UONOGXRCSA-N 0 0 305.299 3.524 10 0 DHAERN Cc1nc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c(C)s1 ZINC000181247827 526793358 /nfs/dbraw/zinc/79/33/58/526793358.db2.gz IKOGJMFABQCFPF-VOJFVSQTSA-N 0 0 314.454 3.661 10 0 DHAERN O=C(c1cncc(-c2ccccc2)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000122031002 526879381 /nfs/dbraw/zinc/87/93/81/526879381.db2.gz GVAYQZZHIRYPII-RTBURBONSA-N 0 0 322.408 3.532 10 0 DHAERN Clc1cccc(Cl)c1CN1CCCC[C@H]1c1nc[nH]n1 ZINC000182684598 526978673 /nfs/dbraw/zinc/97/86/73/526978673.db2.gz URHANFAWFFVPOH-ZDUSSCGKSA-N 0 0 311.216 3.839 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cc2ccccc2s1 ZINC000188228335 527189831 /nfs/dbraw/zinc/18/98/31/527189831.db2.gz DCYUKTPQTNDERR-SMDDNHRTSA-N 0 0 312.442 3.987 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182148983 527190155 /nfs/dbraw/zinc/19/01/55/527190155.db2.gz QIMHFFPTWYZRTF-HZPDHXFCSA-N 0 0 320.387 3.687 10 0 DHAERN O=C(Nc1cccc(Cl)c1F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180611030 527346835 /nfs/dbraw/zinc/34/68/35/527346835.db2.gz YQSSWGRQQZCFCQ-CYBMUJFWSA-N 0 0 322.771 3.961 10 0 DHAERN O=C(NC1CC1)[C@@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000184720591 527490155 /nfs/dbraw/zinc/49/01/55/527490155.db2.gz DCTLRSZQOSHZLQ-OCCSQVGLSA-N 0 0 314.212 3.740 10 0 DHAERN Nc1ccccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000238042133 527524999 /nfs/dbraw/zinc/52/49/99/527524999.db2.gz XQKNSVCBIUHQSH-QGZVFWFLSA-N 0 0 322.408 3.835 10 0 DHAERN OCCCNc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000026474071 527541170 /nfs/dbraw/zinc/54/11/70/527541170.db2.gz WWSQKWNBSNLONO-UHFFFAOYSA-N 0 0 315.804 3.532 10 0 DHAERN Cn1nccc1C1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC000124186754 527597413 /nfs/dbraw/zinc/59/74/13/527597413.db2.gz OAOVKXAYODCWEF-WEVVVXLNSA-N 0 0 323.440 3.620 10 0 DHAERN Cn1nccc1C1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000124860637 527600020 /nfs/dbraw/zinc/60/00/20/527600020.db2.gz RBRFBQBDVUSTGP-UHFFFAOYSA-N 0 0 319.408 3.593 10 0 DHAERN Cc1cc(Cl)cc([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055504 563909830 /nfs/dbraw/zinc/90/98/30/563909830.db2.gz UKPLOQXYLGRZMO-GJZGRUSLSA-N 0 0 324.852 3.966 10 0 DHAERN COc1cccc(-c2n[nH]c(C3CC3)c2NC(=O)CC(C)C)c1 ZINC000034796146 563324563 /nfs/dbraw/zinc/32/45/63/563324563.db2.gz GYCIRBGOUQTARK-UHFFFAOYSA-N 0 0 313.401 3.947 10 0 DHAERN COc1ccc(C)cc1CN(C)C(=O)c1c[nH]c2ccccc21 ZINC000032744708 563388966 /nfs/dbraw/zinc/38/89/66/563388966.db2.gz GBDXRYNBDLCBNQ-UHFFFAOYSA-N 0 0 308.381 3.757 10 0 DHAERN O=C(C1CCCCC1)N1CCC(CCOc2cccnc2)CC1 ZINC000065181159 563400276 /nfs/dbraw/zinc/40/02/76/563400276.db2.gz QNHDULKHQCCRMZ-UHFFFAOYSA-N 0 0 316.445 3.669 10 0 DHAERN CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@](C)(CO)CCC[C@]21C ZINC000014410699 563400366 /nfs/dbraw/zinc/40/03/66/563400366.db2.gz FKCPLBHSZGVMNG-YSIASYRMSA-N 0 0 302.458 3.917 10 0 biogenic DHAERN Cc1ccc(NC(=O)C(C)(C)C)c(I)c1 ZINC000032179840 563441873 /nfs/dbraw/zinc/44/18/73/563441873.db2.gz BGEQNDMAJXNQSN-UHFFFAOYSA-N 0 0 317.170 3.584 10 0 DHAERN O=S(=O)(c1ccc2c3c(cccc31)CC2)N1CCCCCC1 ZINC000109952413 563477994 /nfs/dbraw/zinc/47/79/94/563477994.db2.gz YTBDSEXJSWNWLI-UHFFFAOYSA-N 0 0 315.438 3.503 10 0 DHAERN O=S(=O)(Nc1ccccc1)c1ccc2c3c(cccc31)CC2 ZINC000109952454 563478086 /nfs/dbraw/zinc/47/80/86/563478086.db2.gz ZDIOQQADASLGAT-UHFFFAOYSA-N 0 0 309.390 3.739 10 0 DHAERN CC(C)c1cc2nc(C(F)(F)F)nn2c(Br)c1 ZINC000725247918 563527000 /nfs/dbraw/zinc/52/70/00/563527000.db2.gz DECIPIBFHHEUNU-UHFFFAOYSA-N 0 0 308.101 3.634 10 0 DHAERN CCCc1cc2nc(-c3ccncc3)nn2c(Br)c1 ZINC000725248435 563527009 /nfs/dbraw/zinc/52/70/09/563527009.db2.gz UYLBLOOECMGOSI-UHFFFAOYSA-N 0 0 317.190 3.506 10 0 DHAERN CC(C)(C)Cc1nc2cc(Br)ccc2cc1NN ZINC000725268322 563573830 /nfs/dbraw/zinc/57/38/30/563573830.db2.gz MHWUTOJNGGEHBT-UHFFFAOYSA-N 0 0 308.223 3.872 10 0 DHAERN COc1ccccc1-c1nc2c(C)[nH]n(-c3ccccc3)c-2n1 ZINC000048175325 563693272 /nfs/dbraw/zinc/69/32/72/563693272.db2.gz WHOLCYFHVJNDJS-UHFFFAOYSA-N 0 0 304.353 3.733 10 0 DHAERN COc1ccc(/C=C/C(=O)NCc2ccccc2)cc1Cl ZINC000048534391 563698485 /nfs/dbraw/zinc/69/84/85/563698485.db2.gz AJRVRASBMHBOSE-CSKARUKUSA-N 0 0 301.773 3.678 10 0 DHAERN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC ZINC000044960203 563803551 /nfs/dbraw/zinc/80/35/51/563803551.db2.gz BJJXHLWLUDYTGC-CGXNFDGLSA-N 0 0 308.421 3.723 10 0 DHAERN C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]21C ZINC000263606295 563810107 /nfs/dbraw/zinc/81/01/07/563810107.db2.gz QSLJIVKCVHQPLV-XHACXENLSA-N 0 0 306.446 3.543 10 0 DHAERN COc1nsc(OC)c1-c1ccc(Br)cc1 ZINC000669379694 563870033 /nfs/dbraw/zinc/87/00/33/563870033.db2.gz JTNFXMXAKNKTQJ-UHFFFAOYSA-N 0 0 300.177 3.590 10 0 DHAERN CC(C)(C)C(=O)N1CCC[C@@H](OCc2cc(F)ccc2F)C1 ZINC000036315537 563895108 /nfs/dbraw/zinc/89/51/08/563895108.db2.gz ZESFJPITNLGCMT-CQSZACIVSA-N 0 0 311.372 3.519 10 0 DHAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1cccs1 ZINC000226254180 563913486 /nfs/dbraw/zinc/91/34/86/563913486.db2.gz RRKZSPIABXXFME-LBPRGKRZSA-N 0 0 315.442 3.961 10 0 DHAERN CCOC(=O)c1cc(-n2cccc2)ccc1N1CCC(C)CC1 ZINC000226277517 563913643 /nfs/dbraw/zinc/91/36/43/563913643.db2.gz RYHOQURNOGCTLB-UHFFFAOYSA-N 0 0 312.413 3.890 10 0 DHAERN CCC(CC)n1nc(C)cc1C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000252527533 563916851 /nfs/dbraw/zinc/91/68/51/563916851.db2.gz CUPFPULXTITWIA-ZBFHGGJFSA-N 0 0 303.450 3.957 10 0 DHAERN Cc1nc2ccc(C)cc2n1C1CCN(C(=O)CC(C)C)CC1 ZINC000034915235 563961174 /nfs/dbraw/zinc/96/11/74/563961174.db2.gz ZNGVEOXEYCSSTH-UHFFFAOYSA-N 0 0 313.445 3.863 10 0 DHAERN O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c32 ZINC000013491962 581100809 /nfs/dbraw/zinc/10/08/09/581100809.db2.gz LEQTVGHPTNSWLT-UHFFFAOYSA-N 0 0 301.349 3.602 10 0 DHAERN C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cccc(Cl)c1 ZINC000314655331 963785348 /nfs/dbraw/zinc/78/53/48/963785348.db2.gz NBBFXKFDQNINLU-BDAKNGLRSA-N 0 0 310.806 3.907 10 0 DHAERN Cc1ccc(NC2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000073647397 1013846124 /nfs/dbraw/zinc/84/61/24/1013846124.db2.gz LOBFMDXJCFPACV-UHFFFAOYSA-N 0 0 312.388 3.851 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000076033809 1013849521 /nfs/dbraw/zinc/84/95/21/1013849521.db2.gz IAXYKARGDRPASN-WCQYABFASA-N 0 0 302.374 3.648 10 0 DHAERN C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])c1cccc(Br)c1 ZINC000395582987 972807072 /nfs/dbraw/zinc/80/70/72/972807072.db2.gz YZVUYSBNBSTVJF-JTQLQIEISA-N 0 0 314.223 3.601 10 0 DHAERN Cc1ccc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c(F)c1 ZINC000686309809 976104277 /nfs/dbraw/zinc/10/42/77/976104277.db2.gz ZOICONSYQWRXMY-UHFFFAOYSA-N 0 0 301.361 3.611 10 0 DHAERN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000707342521 977384844 /nfs/dbraw/zinc/38/48/44/977384844.db2.gz GSMMHOLZDGFRAB-VXGBXAGGSA-N 0 0 313.850 3.754 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCCC3)c(Br)c1 ZINC000710328463 977504106 /nfs/dbraw/zinc/50/41/06/977504106.db2.gz CSEJOOLWXBMGIQ-IUODEOHRSA-N 0 0 324.218 3.570 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@@H]1c1ccco1 ZINC000089246464 1032332151 /nfs/dbraw/zinc/33/21/51/1032332151.db2.gz MQKWHZMHCLSRHH-SJORKVTESA-N 0 0 313.397 3.847 10 0 DHAERN COc1ccccc1[C@@H](NC(=O)C(F)=C(C)C)c1ccccn1 ZINC000089959217 1032375576 /nfs/dbraw/zinc/37/55/76/1032375576.db2.gz KEEOHEJZPXUKBF-QGZVFWFLSA-N 0 0 314.360 3.559 10 0 DHAERN Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000090202567 1032390374 /nfs/dbraw/zinc/39/03/74/1032390374.db2.gz YYGNJDBFZVQTJP-AWEZNQCLSA-N 0 0 319.817 3.972 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC(C)CC2)c(Cl)c1 ZINC000067576445 1018917330 /nfs/dbraw/zinc/91/73/30/1018917330.db2.gz QYRISPPCUOYZOC-UHFFFAOYSA-N 0 0 309.797 3.562 10 0 DHAERN CCS[C@@H](C(=O)N1CCC[C@@H](c2nccs2)C1)C(C)C ZINC000067046757 1030518948 /nfs/dbraw/zinc/51/89/48/1030518948.db2.gz WNEDQJNNCFGGKC-CHWSQXEVSA-N 0 0 312.504 3.627 10 0 DHAERN Cc1ccc(C)c(CC(=O)N2CCC[C@@H](c3nccs3)C2)c1 ZINC000067047051 1030519209 /nfs/dbraw/zinc/51/92/09/1030519209.db2.gz WZCIHCHOEWIYCI-OAHLLOKOSA-N 0 0 314.454 3.709 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000078187623 1030920752 /nfs/dbraw/zinc/92/07/52/1030920752.db2.gz DZDPGRYITVQZLH-BBRMVZONSA-N 0 0 313.372 3.853 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)c2ncc(F)cc2F)c2ccccc21 ZINC000190490143 334928779 /nfs/dbraw/zinc/92/87/79/334928779.db2.gz YIMCMILBLAMHTF-ZUZCIYMTSA-N 0 0 302.324 3.728 10 0 DHAERN Clc1ccccc1CSc1nnc(-c2cnccn2)s1 ZINC000095576789 185380681 /nfs/dbraw/zinc/38/06/81/185380681.db2.gz BCQYSRPFWSCEFI-UHFFFAOYSA-N 0 0 320.830 3.941 10 0 DHAERN OC[C@H]1CC(F)(F)CN(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000095642941 185383082 /nfs/dbraw/zinc/38/30/82/185383082.db2.gz TZIHRGLELBULOE-QZTJIDSGSA-N 0 0 317.379 3.877 10 0 DHAERN Oc1ccc(I)cc1OC1CCCCC1 ZINC000095721350 185383445 /nfs/dbraw/zinc/38/34/45/185383445.db2.gz OEAANDLNCAFKJT-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CC(C)(C)c1nc(I)ccc1OC1CC1 ZINC000095720913 185383539 /nfs/dbraw/zinc/38/35/39/185383539.db2.gz ALXQADNUQMRXOF-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Cn1cccc1[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1 ZINC000083054978 185212106 /nfs/dbraw/zinc/21/21/06/185212106.db2.gz RHJFMXDEVUPYPL-INIZCTEOSA-N 0 0 301.365 3.923 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccc(F)cc1 ZINC000088559660 185257824 /nfs/dbraw/zinc/25/78/24/185257824.db2.gz YAZNKSZMOMUSSU-CABCVRRESA-N 0 0 302.397 3.555 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000088559866 185257922 /nfs/dbraw/zinc/25/79/22/185257922.db2.gz GWIQYJOVOJVKTQ-QMTHXVAHSA-N 0 0 322.815 3.819 10 0 DHAERN Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1c(F)cccc1F ZINC000090400059 185294380 /nfs/dbraw/zinc/29/43/80/185294380.db2.gz XQXYTLCCMUAJRH-UHFFFAOYSA-N 0 0 313.307 3.916 10 0 DHAERN OCc1ccc(-c2cncc(NCc3cccc(O)c3)c2)cc1 ZINC000090727855 185311297 /nfs/dbraw/zinc/31/12/97/185311297.db2.gz OXEMBISODIOWBF-UHFFFAOYSA-N 0 0 306.365 3.559 10 0 DHAERN O=C(Nc1cccc2[nH]c(-c3cn[nH]c3)cc21)c1ccccc1 ZINC000090624320 185307304 /nfs/dbraw/zinc/30/73/04/185307304.db2.gz QXXIFJYBMLCMFC-UHFFFAOYSA-N 0 0 302.337 3.810 10 0 DHAERN O=C(Nc1cccc(-c2cn3ccsc3n2)c1)C(F)(F)F ZINC000005083453 190621067 /nfs/dbraw/zinc/62/10/67/190621067.db2.gz ARCCMSKXGOSMJL-UHFFFAOYSA-N 0 0 311.288 3.564 10 0 DHAERN Cc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812082 185343722 /nfs/dbraw/zinc/34/37/22/185343722.db2.gz ZEYPLYGQDLFJMH-SFHVURJKSA-N 0 0 324.472 3.958 10 0 DHAERN COCCCSc1ccc(NC(=O)c2ccnc(F)c2)cc1 ZINC000095396022 185352755 /nfs/dbraw/zinc/35/27/55/185352755.db2.gz QYJMXWPHPAVEPL-UHFFFAOYSA-N 0 0 320.389 3.602 10 0 DHAERN C[C@H](O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000226274164 201771334 /nfs/dbraw/zinc/77/13/34/201771334.db2.gz IYSRZOQULKEVEO-JTQLQIEISA-N 0 0 320.186 3.755 10 0 DHAERN CCOc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(N)c1 ZINC000226349560 201776619 /nfs/dbraw/zinc/77/66/19/201776619.db2.gz NOYIJKIMDSBTPI-UHFFFAOYSA-N 0 0 314.385 3.707 10 0 DHAERN COc1cc(C)sc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000071104264 190933806 /nfs/dbraw/zinc/93/38/06/190933806.db2.gz YSMCVHXXKISROH-UWVGGRQHSA-N 0 0 321.364 3.916 10 0 DHAERN O=C(N1CCCC1)n1ncc(-c2ccc(-c3ccccc3)cc2)n1 ZINC000072137538 191047548 /nfs/dbraw/zinc/04/75/48/191047548.db2.gz UKVJRODNCZDEBC-UHFFFAOYSA-N 0 0 318.380 3.676 10 0 DHAERN Brc1nc(-c2cccnc2)sc1Br ZINC000072192893 191073486 /nfs/dbraw/zinc/07/34/86/191073486.db2.gz WVRJZLXWGNLJHH-UHFFFAOYSA-N 0 0 320.009 3.730 10 0 DHAERN CCn1ccnc1CNc1cc(F)cc(F)c1Br ZINC000190639458 334970074 /nfs/dbraw/zinc/97/00/74/334970074.db2.gz XVANHVJVKXXGDC-UHFFFAOYSA-N 0 0 316.149 3.556 10 0 DHAERN Cc1ccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000072443529 191169169 /nfs/dbraw/zinc/16/91/69/191169169.db2.gz KTUBEIXIKAXNJO-UHFFFAOYSA-N 0 0 305.337 3.924 10 0 DHAERN COCc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)CCC3 ZINC000072451677 191171731 /nfs/dbraw/zinc/17/17/31/191171731.db2.gz DRTXSDHLXRTSQS-UHFFFAOYSA-N 0 0 313.788 3.685 10 0 DHAERN Cc1ccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)cc1C ZINC000072467676 191174167 /nfs/dbraw/zinc/17/41/67/191174167.db2.gz ACUZOKCRSILPDJ-UHFFFAOYSA-N 0 0 310.401 3.574 10 0 DHAERN Cc1ccc(-c2cnn3cc4c(nc23)CC(C)(C)CC4=O)cc1 ZINC000072464030 191174660 /nfs/dbraw/zinc/17/46/60/191174660.db2.gz KAOBBBHKPGCKKS-UHFFFAOYSA-N 0 0 305.381 3.860 10 0 DHAERN O=C(C=Cc1cccc2ccccc12)NC(=S)N1CCCCC1 ZINC000000502911 180808919 /nfs/dbraw/zinc/80/89/19/180808919.db2.gz TYHRZWPSXAJMEP-VAWYXSNFSA-N 0 0 324.449 3.740 10 0 DHAERN Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)c(C)c1 ZINC000000503282 180809140 /nfs/dbraw/zinc/80/91/40/180809140.db2.gz OYLATNRDDLQZSN-UHFFFAOYSA-N 0 0 312.438 3.749 10 0 DHAERN Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)(C)C ZINC000001352537 180856374 /nfs/dbraw/zinc/85/63/74/180856374.db2.gz HLCRRANQCYZSCT-UHFFFAOYSA-N 0 0 317.414 3.688 10 0 DHAERN O=C(CN1CCCCC1)Nc1cccc(OCc2ccccc2)c1 ZINC000003622918 181042154 /nfs/dbraw/zinc/04/21/54/181042154.db2.gz AREGQTFSAMMAIL-UHFFFAOYSA-N 0 0 324.424 3.690 10 0 DHAERN COc1cccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)c1 ZINC000003815351 181047347 /nfs/dbraw/zinc/04/73/47/181047347.db2.gz JSPJGKUIWGWCRE-UHFFFAOYSA-N 0 0 316.364 3.678 10 0 DHAERN CCc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 ZINC000004160806 181079513 /nfs/dbraw/zinc/07/95/13/181079513.db2.gz UKAFULWPIKWFAP-UHFFFAOYSA-N 0 0 321.409 3.561 10 0 DHAERN COc1ccc(OC[C@H]2C[N@H+](C)CC[C@@H]2c2ccccc2)cc1 ZINC000004216004 181085669 /nfs/dbraw/zinc/08/56/69/181085669.db2.gz OJSFTALXCYKKFQ-YLJYHZDGSA-N 0 0 311.425 3.810 10 0 in-man DHAERN CC(C)c1nc2ccccc2n1CC(=O)Nc1ccccc1F ZINC000005238433 181220261 /nfs/dbraw/zinc/22/02/61/181220261.db2.gz KNFOYKYZOFUOLA-UHFFFAOYSA-N 0 0 311.360 3.938 10 0 DHAERN c1ccc(C[C@@H](c2ccncc2)n2nnc3ccccc32)cc1 ZINC000005331694 181230316 /nfs/dbraw/zinc/23/03/16/181230316.db2.gz UHIWXUOFXAFGKI-IBGZPJMESA-N 0 0 300.365 3.658 10 0 DHAERN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 ZINC000005559512 181257509 /nfs/dbraw/zinc/25/75/09/181257509.db2.gz UDMINOIGDWSFLQ-UHFFFAOYSA-N 0 0 319.307 3.782 10 0 DHAERN O=C(N[C@@H](c1ccccc1)[C@H]1CCCCC1=O)c1ccccc1 ZINC000005774885 181283068 /nfs/dbraw/zinc/28/30/68/181283068.db2.gz QNLJSFZVIUCHQK-HKUYNNGSSA-N 0 0 307.393 3.917 10 0 DHAERN COc1ccc(-c2c(C)sc(N)c2C(=O)OC(C)C)cc1 ZINC000005921297 181296665 /nfs/dbraw/zinc/29/66/65/181296665.db2.gz VUEKPSNNPXBCSE-UHFFFAOYSA-N 0 0 305.399 3.880 10 0 DHAERN CC(C)c1ccc2c(c1O)CC[C@@H]1C3=C(CC[C@@]21C)C(=O)OC3 ZINC000006257190 181323465 /nfs/dbraw/zinc/32/34/65/181323465.db2.gz KPXIBWGPZSPABK-XLIONFOSSA-N 0 0 312.409 3.983 10 0 DHAERN COc1cccc(/C=C/C(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000006342593 181332448 /nfs/dbraw/zinc/33/24/48/181332448.db2.gz QONQPTYCOQYOCD-MDZDMXLPSA-N 0 0 314.410 3.682 10 0 DHAERN O=C1NC(=O)C(=Cc2ccc(-c3ccc(F)cc3F)o2)S1 ZINC000006505516 181346856 /nfs/dbraw/zinc/34/68/56/181346856.db2.gz FWEPNYNOKOHTNJ-WUXMJOGZSA-N 0 0 307.277 3.549 10 0 DHAERN CCn1c(C)nnc1CSCc1ccc(OC(F)F)cc1 ZINC000091029094 192973502 /nfs/dbraw/zinc/97/35/02/192973502.db2.gz YHAFZQPZXOXZPZ-UHFFFAOYSA-N 0 0 313.373 3.641 10 0 DHAERN CCc1ccc(NC(=O)c2cc(C)nn2-c2ccccc2)cc1 ZINC000006772284 181385994 /nfs/dbraw/zinc/38/59/94/181385994.db2.gz IPYPPTWFDRDEPI-UHFFFAOYSA-N 0 0 305.381 3.995 10 0 DHAERN CCOC(=O)c1cccc(NC(=O)n2ncc3c2cccc3C)c1 ZINC000006768806 181386133 /nfs/dbraw/zinc/38/61/33/181386133.db2.gz HLCUIYWICPIGAH-UHFFFAOYSA-N 0 0 323.352 3.602 10 0 DHAERN CCCNC(=O)c1c(C)c(CC)c(C)n1Cc1ccc(F)cc1 ZINC000006833667 181397662 /nfs/dbraw/zinc/39/76/62/181397662.db2.gz DRIKIRLCJTWVAG-UHFFFAOYSA-N 0 0 316.420 3.995 10 0 DHAERN Clc1ccn2ncc(-c3cccc(Br)c3)c2n1 ZINC000261508839 203073595 /nfs/dbraw/zinc/07/35/95/203073595.db2.gz XMZZAFGWVYKUKD-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN N[C@H]1c2ccsc2N=CN1c1ccc(Br)cc1 ZINC000257352523 203068990 /nfs/dbraw/zinc/06/89/90/203068990.db2.gz LUEFDISPHKQGKH-LLVKDONJSA-N 0 0 308.204 3.648 10 0 DHAERN CCCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000007366806 181458091 /nfs/dbraw/zinc/45/80/91/181458091.db2.gz WPSXIPASGRKILX-UHFFFAOYSA-N 0 0 320.439 3.664 10 0 DHAERN CCOCCN(C)C(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000093347425 193236357 /nfs/dbraw/zinc/23/63/57/193236357.db2.gz LNZBWDHZTBPHHX-CQSZACIVSA-N 0 0 300.402 3.579 10 0 DHAERN CC(C)(C)c1ncc(CN2CCCC[C@H]2c2cn[nH]c2)s1 ZINC000093438358 193251236 /nfs/dbraw/zinc/25/12/36/193251236.db2.gz QSBGJNZJHPTEME-AWEZNQCLSA-N 0 0 304.463 3.891 10 0 DHAERN CCCN1C(=O)c2ccc(-c3nc4ccc(C)cc4o3)cc2C1=O ZINC000008908538 181590981 /nfs/dbraw/zinc/59/09/81/181590981.db2.gz PQLSLHLYUTXQCQ-UHFFFAOYSA-N 0 0 320.348 3.809 10 0 DHAERN O=C(Nc1onc2c1CCCC2)c1ccccc1Br ZINC000008976544 181594281 /nfs/dbraw/zinc/59/42/81/181594281.db2.gz HASIWCLPUIWNBF-UHFFFAOYSA-N 0 0 321.174 3.568 10 0 DHAERN Cc1cc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)nn1C ZINC000009001874 181596742 /nfs/dbraw/zinc/59/67/42/181596742.db2.gz KTMLYQCPAHJYPX-UHFFFAOYSA-N 0 0 314.414 3.714 10 0 DHAERN CCC(=O)Nc1cccc(NC(=O)/C=C/c2cccs2)c1 ZINC000009230955 181609060 /nfs/dbraw/zinc/60/90/60/181609060.db2.gz UZHAAWWEJCCVCF-CMDGGOBGSA-N 0 0 300.383 3.749 10 0 DHAERN CCCOc1cccc(NC(=S)NC(=O)c2cccs2)c1 ZINC000009696658 181636552 /nfs/dbraw/zinc/63/65/52/181636552.db2.gz TUMYKPJZPOXCSM-UHFFFAOYSA-N 0 0 320.439 3.664 10 0 DHAERN CCN(C(=O)c1ccccc1NC(=O)C1CC1)c1ccccc1 ZINC000010474890 181672193 /nfs/dbraw/zinc/67/21/93/181672193.db2.gz AMFPOPXWFDIUBO-UHFFFAOYSA-N 0 0 308.381 3.702 10 0 DHAERN c1nc2ccccc2n1-c1ccc2[nH]c(-c3ccncc3)nc2c1 ZINC000013651261 181873755 /nfs/dbraw/zinc/87/37/55/181873755.db2.gz DIAZLLXZLNNWFN-UHFFFAOYSA-N 0 0 311.348 3.964 10 0 DHAERN CCCCCCOc1ccc(C(=O)NC(=S)NC(C)C)cc1 ZINC000014028633 181920872 /nfs/dbraw/zinc/92/08/72/181920872.db2.gz PAFRRLPYICXCAY-UHFFFAOYSA-N 0 0 322.474 3.658 10 0 DHAERN CC1CCC(NC(=O)c2ccc(Br)s2)CC1 ZINC000015949434 182025952 /nfs/dbraw/zinc/02/59/52/182025952.db2.gz ZAUZSSWHAWPTGT-UHFFFAOYSA-N 0 0 302.237 3.819 10 0 DHAERN CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1OC ZINC000017963391 182088763 /nfs/dbraw/zinc/08/87/63/182088763.db2.gz QOHJMSCKNZMQMZ-AWEZNQCLSA-N 0 0 313.397 3.893 10 0 DHAERN CCCCC(=O)Nc1ccc(OC)c(NC(=O)c2ccco2)c1 ZINC000018051377 182091324 /nfs/dbraw/zinc/09/13/24/182091324.db2.gz HAKCRQRBFNLVDT-UHFFFAOYSA-N 0 0 316.357 3.669 10 0 DHAERN CC(C)COCCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000019230861 182109737 /nfs/dbraw/zinc/10/97/37/182109737.db2.gz NIKROOWPZLCLBF-UHFFFAOYSA-N 0 0 305.205 3.577 10 0 DHAERN CCOC(=O)c1cccnc1Oc1ccccc1Br ZINC000019505556 182126809 /nfs/dbraw/zinc/12/68/09/182126809.db2.gz QAXUPOPYSOLHQN-UHFFFAOYSA-N 0 0 322.158 3.813 10 0 DHAERN Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1F ZINC000019519832 182127060 /nfs/dbraw/zinc/12/70/60/182127060.db2.gz JPCCXKKTWXJIAX-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN CSc1nc2ccc(NC(=O)c3ccccc3N)cc2s1 ZINC000019675559 182134829 /nfs/dbraw/zinc/13/48/29/182134829.db2.gz FRLUYJPVMYOYAW-UHFFFAOYSA-N 0 0 315.423 3.853 10 0 DHAERN Nc1ccc(-c2nc(-c3cccc(Br)c3)no2)cc1 ZINC000019772015 182145190 /nfs/dbraw/zinc/14/51/90/182145190.db2.gz WLCICDYTBPXBRD-UHFFFAOYSA-N 0 0 316.158 3.748 10 0 DHAERN Nc1cc2c(cc1Oc1ccc(Br)cc1)OCCO2 ZINC000019869051 182158877 /nfs/dbraw/zinc/15/88/77/182158877.db2.gz STJCXURQCQYGGG-UHFFFAOYSA-N 0 0 322.158 3.595 10 0 DHAERN Cc1cc(N)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 ZINC000019986480 182173731 /nfs/dbraw/zinc/17/37/31/182173731.db2.gz FPQMIDSZXMFFAN-NSHDSACASA-N 0 0 304.777 3.637 10 0 DHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1cccc(Br)c1 ZINC000019941871 182167842 /nfs/dbraw/zinc/16/78/42/182167842.db2.gz LJVVLDUBAPHGKN-ZDUSSCGKSA-N 0 0 306.159 3.700 10 0 DHAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000020307591 182205262 /nfs/dbraw/zinc/20/52/62/182205262.db2.gz NRPNPPUXDJLJJI-VIFPVBQESA-N 0 0 301.217 3.853 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(Br)cc2N)c1C ZINC000020520898 182226625 /nfs/dbraw/zinc/22/66/25/182226625.db2.gz QTGVAIVKSFXDLL-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Nc1cc2c(cc1Nc1ccccc1Br)OCCO2 ZINC000020585536 182236058 /nfs/dbraw/zinc/23/60/58/182236058.db2.gz UGHGOLPTFQCXHI-UHFFFAOYSA-N 0 0 321.174 3.546 10 0 DHAERN O=C(C[C@H](c1cccc(F)c1)n1cccc1)NC1CCCC1 ZINC000020998047 182258377 /nfs/dbraw/zinc/25/83/77/182258377.db2.gz ZCNUIWXJXZUPLM-QGZVFWFLSA-N 0 0 300.377 3.666 10 0 DHAERN CCC(CC)C(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000021142585 182266519 /nfs/dbraw/zinc/26/65/19/182266519.db2.gz FPCUSIXWSHBHEU-UHFFFAOYSA-N 0 0 317.414 3.770 10 0 DHAERN Nc1ccc2c(c1)CCN2C(=O)c1cc(Cl)cc(Cl)c1 ZINC000021819711 182293371 /nfs/dbraw/zinc/29/33/71/182293371.db2.gz WOCITKIHWKIHGR-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN Cc1cccc(C(=O)Nc2cccc(Br)c2)c1N ZINC000022209942 182313568 /nfs/dbraw/zinc/31/35/68/182313568.db2.gz FDRMRUGNBKHISY-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CCOC(=O)c1cnc2c(Cl)c(-c3ccccc3)nn2c1C ZINC000098179984 193791203 /nfs/dbraw/zinc/79/12/03/193791203.db2.gz PIJYINDXGRWQOT-UHFFFAOYSA-N 0 0 315.760 3.535 10 0 DHAERN CSc1nc(Cl)c([C@@H](O)c2ccccc2)c(Cl)n1 ZINC000098177824 193791357 /nfs/dbraw/zinc/79/13/57/193791357.db2.gz PRJBVBOSTCNDRX-VIFPVBQESA-N 0 0 301.198 3.587 10 0 DHAERN O=C(/C=C\c1ccc(Br)cc1)NCc1cccs1 ZINC000033316315 182703003 /nfs/dbraw/zinc/70/30/03/182703003.db2.gz JXYQVBSSUGXQQW-YVMONPNESA-N 0 0 322.227 3.840 10 0 DHAERN Cc1ccc2onc(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)c2c1 ZINC000035325081 182770775 /nfs/dbraw/zinc/77/07/75/182770775.db2.gz FQNKLEVHMBPQCF-VNHYZAJKSA-N 0 0 300.402 3.620 10 0 DHAERN Cc1cccc(OCC(=O)Nc2nc3c(cccc3F)s2)c1 ZINC000036695334 182835718 /nfs/dbraw/zinc/83/57/18/182835718.db2.gz IIHHVFIRAQHWLP-UHFFFAOYSA-N 0 0 316.357 3.761 10 0 DHAERN Nc1ccc(NC(=O)Nc2ccccc2F)c(Br)c1 ZINC000036744264 182840115 /nfs/dbraw/zinc/84/01/15/182840115.db2.gz PBIQFYRLCWIQDP-UHFFFAOYSA-N 0 0 324.153 3.814 10 0 DHAERN CCOc1ccc(Br)cc1-c1nc(N)sc1C ZINC000037226189 182874136 /nfs/dbraw/zinc/87/41/36/182874136.db2.gz DEBZOGZCZNUPRZ-UHFFFAOYSA-N 0 0 313.220 3.862 10 0 DHAERN C[C@H](Nc1c(F)cc(F)cc1Br)c1cc[nH]n1 ZINC000037907081 182935599 /nfs/dbraw/zinc/93/55/99/182935599.db2.gz OBPUHZVOBZRTQN-LURJTMIESA-N 0 0 302.122 3.624 10 0 DHAERN COC(=O)C1(Nc2cccc(Br)c2)CCCCC1 ZINC000037960864 182943311 /nfs/dbraw/zinc/94/33/11/182943311.db2.gz NTEDUJYAOFEGLT-UHFFFAOYSA-N 0 0 312.207 3.737 10 0 DHAERN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2ccnc(Cl)c2)o1 ZINC000037980515 182950980 /nfs/dbraw/zinc/95/09/80/182950980.db2.gz GGCVVUJGFKTPSQ-GWCFXTLKSA-N 0 0 304.777 3.724 10 0 DHAERN O=C(Nc1ncc(Br)s1)OCc1ccccc1 ZINC000039123758 183014024 /nfs/dbraw/zinc/01/40/24/183014024.db2.gz VJJFGLKSYIFRGD-UHFFFAOYSA-N 0 0 313.176 3.654 10 0 DHAERN COc1cccc(-c2cn3cc(Br)sc3n2)c1 ZINC000039325789 183017158 /nfs/dbraw/zinc/01/71/58/183017158.db2.gz RIXIEZQWTZSSEZ-UHFFFAOYSA-N 0 0 309.188 3.834 10 0 DHAERN Cc1ccc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)c(C)c1 ZINC000039963063 183025392 /nfs/dbraw/zinc/02/53/92/183025392.db2.gz UXISXRQMGXYLCH-UHFFFAOYSA-N 0 0 324.355 3.547 10 0 DHAERN CCCC(=O)NCCCc1nc2ccccc2n1CCC(C)C ZINC000040204432 183045473 /nfs/dbraw/zinc/04/54/73/183045473.db2.gz CRDFMTHWVBMEOV-UHFFFAOYSA-N 0 0 315.461 3.931 10 0 DHAERN COCc1nc2ccccc2n1CCOc1cc(C)ccc1C ZINC000040231998 183048799 /nfs/dbraw/zinc/04/87/99/183048799.db2.gz OSZUQJSVDBCVLT-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN Cc1ccc(C(=O)NCc2nc3ccccc3n2CC(C)C)cc1 ZINC000040276534 183050423 /nfs/dbraw/zinc/05/04/23/183050423.db2.gz JTXSQIHJFONIFO-UHFFFAOYSA-N 0 0 321.424 3.931 10 0 DHAERN CC(C)C(=O)NCc1nc2ccccc2n1CCc1ccccc1 ZINC000040274732 183050565 /nfs/dbraw/zinc/05/05/65/183050565.db2.gz FFTSNENHFTXGTN-UHFFFAOYSA-N 0 0 321.424 3.551 10 0 DHAERN Cc1ccc(OCCn2c(CO)nc3cc(C)c(C)cc32)cc1C ZINC000040308962 183053520 /nfs/dbraw/zinc/05/35/20/183053520.db2.gz AXYTVXDNQHXGAF-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN Cc1ccccc1OCCn1c(CO)nc2cc(C)c(C)cc21 ZINC000040308918 183053582 /nfs/dbraw/zinc/05/35/82/183053582.db2.gz JVJCFGNYEILERP-UHFFFAOYSA-N 0 0 310.397 3.533 10 0 DHAERN Cc1cccc(OCCn2c(CCO)nc3cc(C)c(C)cc32)c1 ZINC000040310796 183053667 /nfs/dbraw/zinc/05/36/67/183053667.db2.gz ATNIWGCXBVWOCU-UHFFFAOYSA-N 0 0 324.424 3.575 10 0 DHAERN CC[C@@H](Oc1ccc(C)cc1N)C(=O)c1cc(C)ccc1OC ZINC000040354646 183056328 /nfs/dbraw/zinc/05/63/28/183056328.db2.gz GMIHGDUYCBXUEX-MRXNPFEDSA-N 0 0 313.397 3.935 10 0 DHAERN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc2N1 ZINC000040457944 183068789 /nfs/dbraw/zinc/06/87/89/183068789.db2.gz BNDZEBZZQMUBDG-AWEZNQCLSA-N 0 0 307.180 3.969 10 0 DHAERN OCCn1c2ccc(C(F)(F)F)cc2nc1-c1cccs1 ZINC000040400927 183061600 /nfs/dbraw/zinc/06/16/00/183061600.db2.gz XZONBRLUEQYDCQ-UHFFFAOYSA-N 0 0 312.316 3.776 10 0 DHAERN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1Cc2ccccc2N1 ZINC000040458202 183069393 /nfs/dbraw/zinc/06/93/93/183069393.db2.gz INBXEWWWGJRHQI-AWEZNQCLSA-N 0 0 307.180 3.969 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Oc3cccnc3)c2N)c1 ZINC000040704668 183121292 /nfs/dbraw/zinc/12/12/92/183121292.db2.gz ZWCUQYIMFNBSFK-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN COc1ccccc1Oc1ncnc(NC2CCCCC2)c1N ZINC000040708789 183121313 /nfs/dbraw/zinc/12/13/13/183121313.db2.gz VRUPCFPUQBLYDU-UHFFFAOYSA-N 0 0 314.389 3.604 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Oc3cccnc3)c2N)c1 ZINC000040682165 183117069 /nfs/dbraw/zinc/11/70/69/183117069.db2.gz UFISCUMXGMRNDJ-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(NNc3ccccc3)c2N)c1 ZINC000040681390 183117164 /nfs/dbraw/zinc/11/71/64/183117164.db2.gz JUYQNXOHXCRACF-UHFFFAOYSA-N 0 0 321.384 3.907 10 0 DHAERN COc1ccc(C)cc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040684437 183117225 /nfs/dbraw/zinc/11/72/25/183117225.db2.gz MFJXNLJIUCAHAS-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN CC(C)(C)Nc1ncnc(NCc2ccc(Cl)cc2)c1N ZINC000040680618 183117363 /nfs/dbraw/zinc/11/73/63/183117363.db2.gz VPRDQATWQDIEDQ-UHFFFAOYSA-N 0 0 305.813 3.535 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Nc3cccnc3)c2N)c1 ZINC000040704496 183119673 /nfs/dbraw/zinc/11/96/73/183119673.db2.gz ROSRAYDYZCABPX-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc2nc(Nc3ncnc(NC(C)C)c3N)sc2c1 ZINC000040708207 183120801 /nfs/dbraw/zinc/12/08/01/183120801.db2.gz ZLHALNXRJHFLJM-UHFFFAOYSA-N 0 0 314.418 3.541 10 0 DHAERN COc1ccccc1Nc1ncnc(Nc2ccc(C)cc2)c1N ZINC000040781507 183133232 /nfs/dbraw/zinc/13/32/32/183133232.db2.gz NKKWTLZLRBGYEO-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040783414 183133783 /nfs/dbraw/zinc/13/37/83/183133783.db2.gz HLLMCFNAKLQNGV-UHFFFAOYSA-N 0 0 323.425 3.965 10 0 DHAERN CCN(CC)c1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040709735 183121956 /nfs/dbraw/zinc/12/19/56/183121956.db2.gz NCOZLVLYMMLXKO-UHFFFAOYSA-N 0 0 308.838 3.710 10 0 DHAERN Cc1ccc(Oc2ncnc(N3CCCCCC3)c2N)cc1C ZINC000040725716 183124907 /nfs/dbraw/zinc/12/49/07/183124907.db2.gz MWVCSEAHJUPYBK-UHFFFAOYSA-N 0 0 312.417 3.848 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(NC2CCCC2)c1N ZINC000040735897 183126132 /nfs/dbraw/zinc/12/61/32/183126132.db2.gz FIHFEQNRUKFMAI-UHFFFAOYSA-N 0 0 305.470 3.532 10 0 DHAERN Cc1ccccc1Nc1ncnc(Nc2ccccc2F)c1N ZINC000040759148 183130658 /nfs/dbraw/zinc/13/06/58/183130658.db2.gz PFJHZFFSGQWFAQ-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN O=C(Nc1nnc([C@@H]2CCCO2)s1)Nc1cccc(Cl)c1 ZINC000040897716 183147493 /nfs/dbraw/zinc/14/74/93/183147493.db2.gz GGVVBNFTSJEJHQ-JTQLQIEISA-N 0 0 324.793 3.687 10 0 DHAERN COCc1nn2cc(-c3ccc(Cl)c(Cl)c3)nc2s1 ZINC000040963934 183152191 /nfs/dbraw/zinc/15/21/91/183152191.db2.gz FVSIRGDBPVOPGK-UHFFFAOYSA-N 0 0 314.197 3.911 10 0 DHAERN CCCCC(=O)Nc1cc(OC)c(C(=O)OCC)cc1Cl ZINC000041011341 183156031 /nfs/dbraw/zinc/15/60/31/183156031.db2.gz SGFVHZWTGABUPQ-UHFFFAOYSA-N 0 0 313.781 3.654 10 0 DHAERN O=C(Nc1ccnc2c(F)cc(F)cc12)c1cccc(F)c1 ZINC000041058181 183161049 /nfs/dbraw/zinc/16/10/49/183161049.db2.gz OJTBUIKQPYLJIQ-UHFFFAOYSA-N 0 0 302.255 3.904 10 0 DHAERN Nc1ccc(C(=O)c2ccc(Br)cc2)cc1Cl ZINC000041545872 183201791 /nfs/dbraw/zinc/20/17/91/183201791.db2.gz WGKGXFFGSVOKOC-UHFFFAOYSA-N 0 0 310.578 3.916 10 0 DHAERN Nc1cc(F)c(Sc2ccc(Br)cn2)c(F)c1 ZINC000042143927 183234999 /nfs/dbraw/zinc/23/49/99/183234999.db2.gz XMEBSWCDFSNCRE-UHFFFAOYSA-N 0 0 317.158 3.856 10 0 DHAERN Cc1ccc(COc2ccccc2I)o1 ZINC000042418427 183266586 /nfs/dbraw/zinc/26/65/86/183266586.db2.gz OZTCLDJWKNCJHQ-UHFFFAOYSA-N 0 0 314.122 3.772 10 0 DHAERN CCC(CC)N(CCO)C(=O)c1cc(Cl)ccc1Cl ZINC000042506568 183277635 /nfs/dbraw/zinc/27/76/35/183277635.db2.gz UVCBPRNLTQPUHM-UHFFFAOYSA-N 0 0 304.217 3.617 10 0 DHAERN O=S1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000042336944 183255956 /nfs/dbraw/zinc/25/59/56/183255956.db2.gz RUKOZLCEBYELLF-UHFFFAOYSA-N 0 0 311.756 3.682 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccccc1C=O ZINC000042362769 183258871 /nfs/dbraw/zinc/25/88/71/183258871.db2.gz WQMDGRHXWQRONU-UHFFFAOYSA-N 0 0 310.216 3.960 10 0 DHAERN C[C@H](N(C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773718 183306845 /nfs/dbraw/zinc/30/68/45/183306845.db2.gz DOJLUQFMUQYKPF-NSHDSACASA-N 0 0 312.251 3.998 10 0 DHAERN CC(C)N(CC(=O)c1sccc1Br)CC1CC1 ZINC000042587970 183287755 /nfs/dbraw/zinc/28/77/55/183287755.db2.gz KNVRRUOVKYJHSK-UHFFFAOYSA-N 0 0 316.264 3.814 10 0 DHAERN C[C@H]1CCCC[C@H]1N(C)c1cc(Br)ccc1CO ZINC000042608656 183290460 /nfs/dbraw/zinc/29/04/60/183290460.db2.gz ZFZGYHSCQPCEPF-SMDDNHRTSA-N 0 0 312.251 3.956 10 0 DHAERN Nc1nc2c(c(C(F)(F)F)n1)CCC/C2=C\c1ccccc1 ZINC000043463581 183364913 /nfs/dbraw/zinc/36/49/13/183364913.db2.gz MJXMTWLNVWKTMJ-PKNBQFBNSA-N 0 0 305.303 3.955 10 0 DHAERN Cc1nn([C@@H](C)c2ccc(Cl)s2)c(N)c1Br ZINC000043668674 183378498 /nfs/dbraw/zinc/37/84/98/183378498.db2.gz GDIHAOUBKMAXDE-LURJTMIESA-N 0 0 320.643 3.860 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000105042176 194066939 /nfs/dbraw/zinc/06/69/39/194066939.db2.gz BMOJKALDCVVNIV-MFKMUULPSA-N 0 0 305.378 3.564 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1cccc(F)c1)C2 ZINC000106370961 194202058 /nfs/dbraw/zinc/20/20/58/194202058.db2.gz MHOOJVMQJYWLQZ-CYBMUJFWSA-N 0 0 301.409 3.802 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)CC2=CCCCC2)cc1OC ZINC000106611241 194237311 /nfs/dbraw/zinc/23/73/11/194237311.db2.gz JCKSEHITSROTOB-CYBMUJFWSA-N 0 0 303.402 3.772 10 0 DHAERN COc1ccc(CC(=O)c2ccsc2)cc1Br ZINC000049598125 183746015 /nfs/dbraw/zinc/74/60/15/183746015.db2.gz UBISWJAOMDTZCA-UHFFFAOYSA-N 0 0 311.200 3.945 10 0 DHAERN COc1ccc(C[C@@]2(O)CCC[C@H](C)C2)cc1Br ZINC000049597563 183746176 /nfs/dbraw/zinc/74/61/76/183746176.db2.gz JZTHEWDBBGFZMN-XHDPSFHLSA-N 0 0 313.235 3.941 10 0 DHAERN COc1ccc(C)cc1[C@H](O)CNc1ccc(F)c(Cl)c1 ZINC000049921573 183762742 /nfs/dbraw/zinc/76/27/42/183762742.db2.gz BFXKBUNHBKJQPS-OAHLLOKOSA-N 0 0 309.768 3.942 10 0 DHAERN CCNc1cc(C)nc(-c2cc(Br)ccc2OC)n1 ZINC000050864563 183806605 /nfs/dbraw/zinc/80/66/05/183806605.db2.gz MHLASTYYMXKCJW-UHFFFAOYSA-N 0 0 322.206 3.655 10 0 DHAERN Brc1cccnc1N[C@H]1CCOc2ccccc21 ZINC000051987042 183844327 /nfs/dbraw/zinc/84/43/27/183844327.db2.gz QRTVIBDGHVKSKF-LBPRGKRZSA-N 0 0 305.175 3.780 10 0 DHAERN Cc1csc(C[C@H](O)Cc2ccc(Cl)cc2Cl)n1 ZINC000055267238 183974932 /nfs/dbraw/zinc/97/49/32/183974932.db2.gz DFDDTDCPDAWCIR-LLVKDONJSA-N 0 0 302.226 3.904 10 0 DHAERN COC(=O)c1nc2ccccc2nc1Sc1ccccc1C ZINC000057341225 184033667 /nfs/dbraw/zinc/03/36/67/184033667.db2.gz MFWKGCUTDCTMJQ-UHFFFAOYSA-N 0 0 310.378 3.876 10 0 DHAERN COc1ccccc1COc1ccc(Br)cc1N ZINC000057652871 184044067 /nfs/dbraw/zinc/04/40/67/184044067.db2.gz ABBKMQLSQWJPIX-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN C[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1 ZINC000057673457 184045848 /nfs/dbraw/zinc/04/58/48/184045848.db2.gz MULPFRNYRMVXFE-JTQLQIEISA-N 0 0 301.217 3.806 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(C)c(F)c3)n2)c1 ZINC000057341925 184034218 /nfs/dbraw/zinc/03/42/18/184034218.db2.gz AUEOTVRERNYPHY-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(C)ccc3F)n2)cc1 ZINC000057342156 184034273 /nfs/dbraw/zinc/03/42/73/184034273.db2.gz NGUIJSIWRFIZCE-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3C)n2)c1 ZINC000057341956 184034362 /nfs/dbraw/zinc/03/43/62/184034362.db2.gz XEJPOAMQYNWFGG-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3c(F)cccc3F)n2)c1 ZINC000057341921 184034427 /nfs/dbraw/zinc/03/44/27/184034427.db2.gz ZOJJJFJPNICCLG-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN CCCCNc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1 ZINC000058824146 184129249 /nfs/dbraw/zinc/12/92/49/184129249.db2.gz LYMXZRXWHYLPDD-UHFFFAOYSA-N 0 0 303.431 3.583 10 0 DHAERN Cc1ccc(SCc2cc(=O)[nH]c(NC3CCCC3)n2)cc1 ZINC000058824173 184129322 /nfs/dbraw/zinc/12/93/22/184129322.db2.gz GFWNCGPIIHIYSM-UHFFFAOYSA-N 0 0 315.442 3.725 10 0 DHAERN C[C@@H](NC(=O)Nc1ccncc1)c1cccc(Br)c1 ZINC000059306289 184137060 /nfs/dbraw/zinc/13/70/60/184137060.db2.gz DJOUQIHWJLXKQA-SNVBAGLBSA-N 0 0 320.190 3.727 10 0 DHAERN CCCn1ccnc1CNc1ccc(Br)cc1C ZINC000061877282 184191710 /nfs/dbraw/zinc/19/17/10/184191710.db2.gz URNCFEXWNUZRME-UHFFFAOYSA-N 0 0 308.223 3.976 10 0 DHAERN Cc1ncsc1CCOCc1nc(Cl)ccc1Cl ZINC000061639576 184180541 /nfs/dbraw/zinc/18/05/41/184180541.db2.gz KCJPQEVXSUBVMT-UHFFFAOYSA-N 0 0 303.214 3.913 10 0 DHAERN COc1ccc(C[C@@H](C(C)C)[C@@H](C)O)cc1Br ZINC000061688797 184182867 /nfs/dbraw/zinc/18/28/67/184182867.db2.gz HYVGDRHUXWMFQT-PWSUYJOCSA-N 0 0 301.224 3.653 10 0 DHAERN CC(=O)c1ccc(-n2cnc3ccccc32)c(Br)c1 ZINC000061694473 184183345 /nfs/dbraw/zinc/18/33/45/184183345.db2.gz IURQJGTYABPDQI-UHFFFAOYSA-N 0 0 315.170 3.991 10 0 DHAERN Cc1ccc(Oc2ccc([C@@H](C)O)cc2Br)cn1 ZINC000061697909 184183996 /nfs/dbraw/zinc/18/39/96/184183996.db2.gz PTDXBNZNCGWDOK-SNVBAGLBSA-N 0 0 308.175 3.998 10 0 DHAERN Cc1ccc(Br)cc1Nc1ccnc(C(N)=S)c1 ZINC000061812676 184188344 /nfs/dbraw/zinc/18/83/44/184188344.db2.gz BURKNUKYSHEUAS-UHFFFAOYSA-N 0 0 322.231 3.530 10 0 DHAERN Nc1nnc(-c2ccc(Br)cc2)c2ccccc12 ZINC000062203507 184220292 /nfs/dbraw/zinc/22/02/92/184220292.db2.gz JPLWNPZCRAKING-UHFFFAOYSA-N 0 0 300.159 3.642 10 0 DHAERN O[C@@H](c1ccc2c(c1)COC2)c1cc(F)cc(Br)c1 ZINC000062334969 184231081 /nfs/dbraw/zinc/23/10/81/184231081.db2.gz KOYHGJDQFXYIKF-HNNXBMFYSA-N 0 0 323.161 3.700 10 0 DHAERN O=C(c1ccc(Br)s1)c1ccc2c(c1)COC2 ZINC000062331728 184231232 /nfs/dbraw/zinc/23/12/32/184231232.db2.gz NHOQSRYDHVSVAM-UHFFFAOYSA-N 0 0 309.184 3.772 10 0 DHAERN C[C@@H](O)c1cc(Br)ccc1OCCc1cccnc1 ZINC000063223118 184279579 /nfs/dbraw/zinc/27/95/79/184279579.db2.gz YGWXQBMNVYULAY-LLVKDONJSA-N 0 0 322.202 3.519 10 0 DHAERN Cc1ccc(CC(=O)NCc2cccnc2-c2ccccc2)cc1 ZINC000065171377 184313571 /nfs/dbraw/zinc/31/35/71/184313571.db2.gz WEBIFLUBTOJJPW-UHFFFAOYSA-N 0 0 316.404 3.916 10 0 DHAERN CCCC(=O)N1CCC(c2cnn(-c3cccc(C)c3)c2)CC1 ZINC000065173085 184313730 /nfs/dbraw/zinc/31/37/30/184313730.db2.gz KLCXVOBKYJGXPU-UHFFFAOYSA-N 0 0 311.429 3.687 10 0 DHAERN CCCn1c2ncccc2nc1-c1cccc(C(=O)NC(C)C)c1 ZINC000065172782 184313734 /nfs/dbraw/zinc/31/37/34/184313734.db2.gz ABJMQNLFVLNROA-UHFFFAOYSA-N 0 0 322.412 3.647 10 0 DHAERN COc1ccc(NC(=O)c2cccc(NC(C)=O)c2)c(Cl)c1 ZINC000065811478 184380796 /nfs/dbraw/zinc/38/07/96/184380796.db2.gz DFUBUOVFATVQEJ-UHFFFAOYSA-N 0 0 318.760 3.559 10 0 DHAERN Brc1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1 ZINC000066347832 184404297 /nfs/dbraw/zinc/40/42/97/184404297.db2.gz CTYOHWMPZFAPEK-UHFFFAOYSA-N 0 0 300.159 3.901 10 0 DHAERN Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)C(C)C ZINC000068682416 184496963 /nfs/dbraw/zinc/49/69/63/184496963.db2.gz NGDXGYDYPPVCQR-LBPRGKRZSA-N 0 0 319.836 3.668 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@@H]2O1 ZINC000249693046 257106879 /nfs/dbraw/zinc/10/68/79/257106879.db2.gz NLGYLWXWSBMUOG-BNOWGMLFSA-N 0 0 301.411 3.541 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(Cl)n1 ZINC000274504206 130241404 /nfs/dbraw/zinc/24/14/04/130241404.db2.gz PXKAOGRGIFSEIE-RNFRBKRXSA-N 0 0 312.744 3.647 10 0 DHAERN COc1ccc(-c2nnc(N3CCCCO3)c3ccccc32)cc1 ZINC000276038256 130429157 /nfs/dbraw/zinc/42/91/57/130429157.db2.gz NBPKPFMPOGSLKR-UHFFFAOYSA-N 0 0 321.380 3.837 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cccnc2SC(F)F)o1 ZINC000299271707 132096003 /nfs/dbraw/zinc/09/60/03/132096003.db2.gz KFQIRHYLOYVOCE-VIFPVBQESA-N 0 0 312.341 3.789 10 0 DHAERN OCC[C@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000302479376 132158454 /nfs/dbraw/zinc/15/84/54/132158454.db2.gz VYGYEUBSCKMWLK-KCJUWKMLSA-N 0 0 308.731 3.717 10 0 DHAERN CN(C(=O)C1CCN(c2ccccc2F)CC1)c1ccccc1 ZINC000010342940 134495406 /nfs/dbraw/zinc/49/54/06/134495406.db2.gz XHUZBRNADNZJOH-UHFFFAOYSA-N 0 0 312.388 3.705 10 0 DHAERN Cc1cc(NC(=O)N2CCS[C@@H](C)C2)ccc1OC(C)C ZINC000173736136 332836352 /nfs/dbraw/zinc/83/63/52/332836352.db2.gz XSVSXGNGSBLXIO-ZDUSSCGKSA-N 0 0 308.447 3.751 10 0 DHAERN Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1 ZINC000109079347 331509018 /nfs/dbraw/zinc/50/90/18/331509018.db2.gz AATONIOCULTBTR-HUUCEWRRSA-N 0 0 301.336 3.693 10 0 DHAERN O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCN2 ZINC000037323133 331555571 /nfs/dbraw/zinc/55/55/71/331555571.db2.gz LNQKCMUBMZGNIW-UHFFFAOYSA-N 0 0 317.186 3.669 10 0 DHAERN CCc1cnc(CCNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180309189 331565941 /nfs/dbraw/zinc/56/59/41/331565941.db2.gz DEPIWQNPCHTUAB-QWHCGFSZSA-N 0 0 308.491 3.827 10 0 DHAERN CCCOc1ccc(NC(=O)c2cccc(N)c2)cc1Cl ZINC000037768606 331585331 /nfs/dbraw/zinc/58/53/31/331585331.db2.gz NMNSVONHXLWMMH-UHFFFAOYSA-N 0 0 304.777 3.963 10 0 DHAERN Cc1ncc(/C=C\C(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000255278908 331727799 /nfs/dbraw/zinc/72/77/99/331727799.db2.gz GCIUIRUSCOGXMS-CFHLNLSMSA-N 0 0 319.455 3.675 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(Br)c1 ZINC000027737708 332929577 /nfs/dbraw/zinc/92/95/77/332929577.db2.gz KFLBATYPFQKGNY-RYUDHWBXSA-N 0 0 308.219 3.983 10 0 DHAERN O=C(CNc1ccccc1)Nc1ccc(Br)c(F)c1 ZINC000088083761 331907166 /nfs/dbraw/zinc/90/71/66/331907166.db2.gz BZXKOMNEIBIJGF-UHFFFAOYSA-N 0 0 323.165 3.639 10 0 DHAERN C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)[C@@H]1CCCO1 ZINC000083702918 331996767 /nfs/dbraw/zinc/99/67/67/331996767.db2.gz SHPOLIAHFZKCNJ-YOEHRIQHSA-N 0 0 314.429 3.596 10 0 DHAERN Cc1nccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000086339343 332020797 /nfs/dbraw/zinc/02/07/97/332020797.db2.gz GTYSAQLYHIRNBV-UONOGXRCSA-N 0 0 314.433 3.585 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N(CCCCO)C2CC2)cc1 ZINC000088479354 332052692 /nfs/dbraw/zinc/05/26/92/332052692.db2.gz HDLWWRZJAUDPIM-OAHLLOKOSA-N 0 0 318.461 3.818 10 0 DHAERN CC(=O)c1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1C ZINC000089451415 332069550 /nfs/dbraw/zinc/06/95/50/332069550.db2.gz GJEHCBXXCXMKPC-KRWDZBQOSA-N 0 0 324.380 3.843 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]1COC(F)(F)C(F)(F)F ZINC000091252508 332102055 /nfs/dbraw/zinc/10/20/55/332102055.db2.gz AMNOHYCZUCGVFA-QMMMGPOBSA-N 0 0 319.270 3.558 10 0 DHAERN Cc1ccc(C(=O)N2CCCc3c(N)cccc32)cc1Cl ZINC000133249133 332138799 /nfs/dbraw/zinc/13/87/99/332138799.db2.gz YGRLDAHCYOIYMP-UHFFFAOYSA-N 0 0 300.789 3.824 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1C ZINC000181025152 332173248 /nfs/dbraw/zinc/17/32/48/332173248.db2.gz MVTBBDQMUWYJFK-KSSFIOAISA-N 0 0 321.848 3.724 10 0 DHAERN Cc1cnc(NC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000043384910 332269363 /nfs/dbraw/zinc/26/93/63/332269363.db2.gz ZMKVLPSMCKCONX-BDAKNGLRSA-N 0 0 307.341 3.694 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cccnc1 ZINC000129943401 332526111 /nfs/dbraw/zinc/52/61/11/332526111.db2.gz WUPSMYSYUQDINJ-MRXNPFEDSA-N 0 0 308.381 3.648 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccccc2-c2ccccc2)O1 ZINC000151479122 332580642 /nfs/dbraw/zinc/58/06/42/332580642.db2.gz CHBKYKFXDMWTOO-DNVCBOLYSA-N 0 0 309.409 3.880 10 0 DHAERN CC(C)CO[C@@H]1CCN(C(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000151583136 332590907 /nfs/dbraw/zinc/59/09/07/332590907.db2.gz UKVOIGKLQQEZEW-AEFFLSMTSA-N 0 0 316.445 3.521 10 0 DHAERN CC[C@H](C)OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000151471514 332683665 /nfs/dbraw/zinc/68/36/65/332683665.db2.gz XLLIQDKOMKBICC-UWVGGRQHSA-N 0 0 304.217 3.986 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](C)O1 ZINC000178178566 333003849 /nfs/dbraw/zinc/00/38/49/333003849.db2.gz UPKAOHUNSLUHRJ-RANZSIQMSA-N 0 0 301.430 3.739 10 0 DHAERN Cc1nc2c(cnn2C)c(N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000178609041 333016575 /nfs/dbraw/zinc/01/65/75/333016575.db2.gz JKFQTJXVLBZDGO-MEDUHNTESA-N 0 0 307.401 3.722 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)NCCCc2ccccn2)cc1 ZINC000179156826 333024703 /nfs/dbraw/zinc/02/47/03/333024703.db2.gz IVLJERLGCWDDJT-HNNXBMFYSA-N 0 0 311.429 3.637 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000171730516 333053309 /nfs/dbraw/zinc/05/33/09/333053309.db2.gz CPIRBXSVWOUXAD-TZMCWYRMSA-N 0 0 303.431 3.576 10 0 DHAERN Cc1ccccc1NC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171983678 333056865 /nfs/dbraw/zinc/05/68/65/333056865.db2.gz XDQCATXSFZVRHR-QFBILLFUSA-N 0 0 322.408 3.543 10 0 DHAERN Fc1ccccc1-n1ccc(CN2CCC[C@H]2c2ccco2)n1 ZINC000189014936 333061090 /nfs/dbraw/zinc/06/10/90/333061090.db2.gz PEYQAOHZNKBFBQ-KRWDZBQOSA-N 0 0 311.360 3.942 10 0 DHAERN CCn1c(C)nnc1CN(Cc1ccc(F)cc1)C(C)(C)C ZINC000177869721 333132731 /nfs/dbraw/zinc/13/27/31/333132731.db2.gz UIDBAPWWYCWZQF-UHFFFAOYSA-N 0 0 304.413 3.546 10 0 DHAERN CC(C)CC(=O)N1CCC[C@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135214 333156359 /nfs/dbraw/zinc/15/63/59/333156359.db2.gz CPPSAHKXUUCCAM-KRWDZBQOSA-N 0 0 323.440 3.896 10 0 DHAERN CC[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)C(C)(C)c1ccccc1 ZINC000188037629 333157768 /nfs/dbraw/zinc/15/77/68/333157768.db2.gz RZWZSZSIMCNKEC-PVAVHDDUSA-N 0 0 303.446 3.674 10 0 DHAERN Cc1cnccc1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000188073991 333158637 /nfs/dbraw/zinc/15/86/37/333158637.db2.gz YXPDKQLQNKZZBQ-HNNXBMFYSA-N 0 0 308.425 3.689 10 0 DHAERN CC(C)COc1ccc([C@@H](C)[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000181403573 333169270 /nfs/dbraw/zinc/16/92/70/333169270.db2.gz IWMYANPOQFIEQK-OAHLLOKOSA-N 0 0 324.428 3.615 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1 ZINC000182189277 333183058 /nfs/dbraw/zinc/18/30/58/333183058.db2.gz QCXSJPDUYUAIIY-GTNSWQLSSA-N 0 0 313.422 3.922 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000188281398 333362842 /nfs/dbraw/zinc/36/28/42/333362842.db2.gz WEOQZQJPSQJWJA-DOMZBBRYSA-N 0 0 321.392 3.901 10 0 DHAERN Cc1cc(O[C@H](C)C(=O)Nc2ccccc2N)ccc1Cl ZINC000021015381 333412039 /nfs/dbraw/zinc/41/20/39/333412039.db2.gz QOKIIBYXTDOCHD-LLVKDONJSA-N 0 0 304.777 3.637 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@H](C)c1ccc(F)cc1Cl ZINC000187120184 333420589 /nfs/dbraw/zinc/42/05/89/333420589.db2.gz NWAOSYYZRQYKFK-SECBINFHSA-N 0 0 323.751 3.684 10 0 DHAERN CC[C@@]1(C)CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCO1 ZINC000187780533 334273271 /nfs/dbraw/zinc/27/32/71/334273271.db2.gz HIDFINXTAQSFQQ-HZMBPMFUSA-N 0 0 316.854 3.673 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc3ccccc3c2)CCO1 ZINC000049787195 334359443 /nfs/dbraw/zinc/35/94/43/334359443.db2.gz HQUPFPJOQUHPLF-KBXCAEBGSA-N 0 0 312.413 3.721 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](c1oc2ccccc2c1C)C(C)C ZINC000112187448 334368691 /nfs/dbraw/zinc/36/86/91/334368691.db2.gz ZIFMJIYAXGQKQP-MLGOLLRUSA-N 0 0 303.402 3.837 10 0 DHAERN O=C(c1scnc1C1CC1)N1CCCC[C@H]1c1nccs1 ZINC000126585947 335852277 /nfs/dbraw/zinc/85/22/77/335852277.db2.gz VOHQTIXPSZJQJV-NSHDSACASA-N 0 0 319.455 3.844 10 0 DHAERN CO[C@@](C)(C(=O)N[C@H](C)c1ccccc1C)c1ccccc1F ZINC000192076791 336017142 /nfs/dbraw/zinc/01/71/42/336017142.db2.gz LJKXBEVESUKDFZ-AUUYWEPGSA-N 0 0 315.388 3.873 10 0 DHAERN CN(Cc1cccc2[nH]ccc21)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000330251100 336129940 /nfs/dbraw/zinc/12/99/40/336129940.db2.gz NGAQWXRGFJSUIV-MZBDJJRSSA-N 0 0 324.424 3.522 10 0 DHAERN CC(=O)Nc1nc2ccc(NC(=O)C3=C(C)CCC3)cc2s1 ZINC000333102188 336198016 /nfs/dbraw/zinc/19/80/16/336198016.db2.gz VLPAUGBWCOVKDV-UHFFFAOYSA-N 0 0 315.398 3.694 10 0 DHAERN Cc1nc2c(nccc2C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)[nH]1 ZINC000333224591 336200053 /nfs/dbraw/zinc/20/00/53/336200053.db2.gz FMDPMIZUBGFQNS-BDJLRTHQSA-N 0 0 320.396 3.635 10 0 DHAERN Cn1nccc1[C@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000333409806 336203189 /nfs/dbraw/zinc/20/31/89/336203189.db2.gz GGJHNUKBSWAZJF-QGZVFWFLSA-N 0 0 323.400 3.661 10 0 DHAERN CCCc1csc(NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)n1 ZINC000333473415 336204411 /nfs/dbraw/zinc/20/44/11/336204411.db2.gz GFMWNYWLDGUDGV-XJKSGUPXSA-N 0 0 323.462 3.517 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nc(C2CC2)cc(=O)[nH]1 ZINC000333631546 336207510 /nfs/dbraw/zinc/20/75/10/336207510.db2.gz AJFZANIQJXHJJG-UHFFFAOYSA-N 0 0 305.403 3.772 10 0 DHAERN COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c1O ZINC000042253677 336237904 /nfs/dbraw/zinc/23/79/04/336237904.db2.gz OOTIZDHXVRZFJA-SNVBAGLBSA-N 0 0 305.761 3.545 10 0 DHAERN Cc1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000103164755 336238063 /nfs/dbraw/zinc/23/80/63/336238063.db2.gz BOOQFZTZSHPRDW-KBPBESRZSA-N 0 0 300.377 3.812 10 0 DHAERN COC[C@H](C)C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000103372469 336240349 /nfs/dbraw/zinc/24/03/49/336240349.db2.gz FNOBVSLVIBQSKX-VHSXEESVSA-N 0 0 304.217 3.795 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000103383882 336241305 /nfs/dbraw/zinc/24/13/05/336241305.db2.gz ZBXHXQFEWJFHAN-LBPRGKRZSA-N 0 0 303.333 3.839 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1ccccc1Cl)C1CCCC1 ZINC000103793911 336242457 /nfs/dbraw/zinc/24/24/57/336242457.db2.gz UNSKBNLMXXRHIY-CYBMUJFWSA-N 0 0 309.837 3.894 10 0 DHAERN CN(CC1CCCCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043164767 336246516 /nfs/dbraw/zinc/24/65/16/336246516.db2.gz MSQWXSVRWVBJNU-MRXNPFEDSA-N 0 0 302.418 3.732 10 0 DHAERN Cc1nnc(NC(=O)N[C@H](C)c2ccc3ccccc3c2)s1 ZINC000043407362 336255391 /nfs/dbraw/zinc/25/53/91/336255391.db2.gz QYISEUCDTBFPTJ-SNVBAGLBSA-N 0 0 312.398 3.882 10 0 DHAERN C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000043744651 336272358 /nfs/dbraw/zinc/27/23/58/336272358.db2.gz QVEIRIUXFMJNEI-CYBMUJFWSA-N 0 0 324.424 3.574 10 0 DHAERN Cc1nc(CN(C)c2ccc(-c3ccc(F)cc3)nn2)cs1 ZINC000301104567 336290226 /nfs/dbraw/zinc/29/02/26/336290226.db2.gz PCYPQCRNQVYYFJ-UHFFFAOYSA-N 0 0 314.389 3.684 10 0 DHAERN C[C@@H](Nc1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 ZINC000301194291 336294304 /nfs/dbraw/zinc/29/43/04/336294304.db2.gz TUQBCYGTWXFTBS-CQSZACIVSA-N 0 0 317.392 3.625 10 0 DHAERN Clc1ncccc1Oc1nc(-c2ccncc2)nc2c1CCC2 ZINC000301304207 336299916 /nfs/dbraw/zinc/29/99/16/336299916.db2.gz XGWJGTRQDVRTOB-UHFFFAOYSA-N 0 0 324.771 3.868 10 0 DHAERN C[C@H]1SCCN(c2nc(-c3cccc(Cl)c3)no2)[C@@H]1C ZINC000301307320 336299925 /nfs/dbraw/zinc/29/99/25/336299925.db2.gz ZTGMDERMTVBZDS-NXEZZACHSA-N 0 0 309.822 3.720 10 0 DHAERN Fc1c(NCCOC[C@H]2CCCO2)ccc2c(Cl)ccnc12 ZINC000301308806 336300101 /nfs/dbraw/zinc/30/01/01/336300101.db2.gz XAPASTXPGWWSPW-LLVKDONJSA-N 0 0 324.783 3.635 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1CNc1ccc(Br)cn1 ZINC000301359909 336302480 /nfs/dbraw/zinc/30/24/80/336302480.db2.gz LXATYWSTIHFSFE-MFKMUULPSA-N 0 0 313.239 3.707 10 0 DHAERN Fc1ccc([C@@H]2CCC[C@@H]2Nc2ccc3nccnc3n2)cc1 ZINC000301400323 336304591 /nfs/dbraw/zinc/30/45/91/336304591.db2.gz BQDWDVIIEQFHLO-GJZGRUSLSA-N 0 0 308.360 3.912 10 0 DHAERN Clc1cccc(-c2noc(N3C[C@H]4CC=CC[C@@H]4C3)n2)c1 ZINC000301403131 336304711 /nfs/dbraw/zinc/30/47/11/336304711.db2.gz DQAGUNPYQBWCGF-CHWSQXEVSA-N 0 0 301.777 3.792 10 0 DHAERN CCc1ncc(CN(C)c2nc(C)nc(Cl)c2CC)s1 ZINC000301410817 336304961 /nfs/dbraw/zinc/30/49/61/336304961.db2.gz YBOXQSOMNRWCBQ-UHFFFAOYSA-N 0 0 310.854 3.656 10 0 DHAERN CSc1ccc(N[C@@H](C)c2ccc(-n3cccn3)cc2)nn1 ZINC000301429253 336306278 /nfs/dbraw/zinc/30/62/78/336306278.db2.gz HZQJQZWYWVUPMO-LBPRGKRZSA-N 0 0 311.414 3.557 10 0 DHAERN CC[C@H](Nc1ccc(-c2ccc(F)cc2)nn1)c1noc(C)n1 ZINC000301485162 336309799 /nfs/dbraw/zinc/30/97/99/336309799.db2.gz WGNRBARJYUDZES-ZDUSSCGKSA-N 0 0 313.336 3.537 10 0 DHAERN c1ccc(OCC2CCN(c3nc4ccccc4o3)CC2)nc1 ZINC000301519806 336311989 /nfs/dbraw/zinc/31/19/89/336311989.db2.gz HJPVFJLSKWTTHX-UHFFFAOYSA-N 0 0 309.369 3.518 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000301575166 336315980 /nfs/dbraw/zinc/31/59/80/336315980.db2.gz SISFYYQPDPJVOU-IDFMNXDXSA-N 0 0 320.380 3.592 10 0 DHAERN CCc1cc(N[C@@H](c2cccs2)C(C)(C)C)n2ncnc2n1 ZINC000301587130 336316655 /nfs/dbraw/zinc/31/66/55/336316655.db2.gz WEGMDYXLYDDPOP-AWEZNQCLSA-N 0 0 315.446 3.948 10 0 DHAERN Cc1cc(NCCSCC(C)(C)O)c2cccc(F)c2n1 ZINC000301646317 336320530 /nfs/dbraw/zinc/32/05/30/336320530.db2.gz CZFSTGHXKZZWOK-UHFFFAOYSA-N 0 0 308.422 3.598 10 0 DHAERN C[C@@H](Nc1ncc(Cl)cc1F)c1cn(-c2ccccc2)nn1 ZINC000301656961 336321216 /nfs/dbraw/zinc/32/12/16/336321216.db2.gz LJMIDJISZDMVOP-SNVBAGLBSA-N 0 0 317.755 3.628 10 0 DHAERN C[C@@](CO)(Nc1nc2cc(C(F)(F)F)ccc2s1)C1CC1 ZINC000301675022 336322693 /nfs/dbraw/zinc/32/26/93/336322693.db2.gz PVSPUXVTQANZNF-ZDUSSCGKSA-N 0 0 316.348 3.888 10 0 DHAERN COc1cccc2c(NC[C@@H](O)C3CCCC3)cc(C)nc12 ZINC000301687591 336323540 /nfs/dbraw/zinc/32/35/40/336323540.db2.gz VCUWTJJMJPBXHO-MRXNPFEDSA-N 0 0 300.402 3.515 10 0 DHAERN COCc1cc(N2CC[C@H]3CCCC[C@H]32)nc(C(C)(C)C)n1 ZINC000301773400 336328886 /nfs/dbraw/zinc/32/88/86/336328886.db2.gz FLIBEHMUSBUHNZ-UKRRQHHQSA-N 0 0 303.450 3.689 10 0 DHAERN Cc1cc2c(ncnc2NCc2nc3c(cccc3C)[nH]2)s1 ZINC000301887691 336336349 /nfs/dbraw/zinc/33/63/49/336336349.db2.gz MWJDQTZKPJPSDV-UHFFFAOYSA-N 0 0 309.398 3.797 10 0 DHAERN COc1ccccc1N1CCC[C@@H](Nc2nc3ccccc3[nH]2)C1 ZINC000301896881 336336823 /nfs/dbraw/zinc/33/68/23/336336823.db2.gz VEMSXIGDRXOCHK-CQSZACIVSA-N 0 0 322.412 3.652 10 0 DHAERN CC(C)CCO[C@H]1CCN(c2cc(Cl)nc(C3CC3)n2)C1 ZINC000301986792 336341544 /nfs/dbraw/zinc/34/15/44/336341544.db2.gz ZMDLRFMNNJCKOS-ZDUSSCGKSA-N 0 0 309.841 3.649 10 0 DHAERN Fc1ccc([C@@H]2OCC[C@H]2Nc2ccnc(Cl)c2)cc1F ZINC000302001342 336342433 /nfs/dbraw/zinc/34/24/33/336342433.db2.gz JFSRYHQTVIRVKS-HIFRSBDPSA-N 0 0 310.731 3.955 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nnc(Cc3ccccc3F)s2)C1 ZINC000302073706 336347041 /nfs/dbraw/zinc/34/70/41/336347041.db2.gz HXCMUSSLQWQXOL-STQMWFEESA-N 0 0 321.421 3.638 10 0 DHAERN C[C@](O)(CNc1nc2cc(F)ccc2o1)c1ccccc1Cl ZINC000302190331 336353260 /nfs/dbraw/zinc/35/32/60/336353260.db2.gz YIUQUCRVPXLDTH-INIZCTEOSA-N 0 0 320.751 3.940 10 0 DHAERN C[C@@H](Nc1nccn2c1nnc2C1CC1)c1ccccc1Cl ZINC000302206145 336353922 /nfs/dbraw/zinc/35/39/22/336353922.db2.gz KGIBHIZUBJVPOW-SNVBAGLBSA-N 0 0 313.792 3.828 10 0 DHAERN c1ccc([C@H](Nc2nccn3c2nnc3C2CC2)C2CC2)cc1 ZINC000302222072 336354683 /nfs/dbraw/zinc/35/46/83/336354683.db2.gz SPZJYXNDAFZWIU-HNNXBMFYSA-N 0 0 305.385 3.565 10 0 DHAERN C[C@@H](CCC1CC1)Nc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000302225622 336354960 /nfs/dbraw/zinc/35/49/60/336354960.db2.gz RRVVZWPIJZVLQV-LBPRGKRZSA-N 0 0 317.820 3.877 10 0 DHAERN C[C@@H]1CN(C)c2ccccc2CN1c1nc(C(C)(C)C)ns1 ZINC000302506639 336360297 /nfs/dbraw/zinc/36/02/97/336360297.db2.gz MYFAWGWUDQIKPH-GFCCVEGCSA-N 0 0 316.474 3.681 10 0 DHAERN CCOC(=O)[C@@H]1CC[C@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302526420 336360779 /nfs/dbraw/zinc/36/07/79/336360779.db2.gz OUNBESRKSZEBQQ-PWSUYJOCSA-N 0 0 320.339 3.657 10 0 DHAERN CO[C@H]1CN(c2ccc3c(Cl)ccnc3c2F)CC[C@H]1C ZINC000302588604 336362016 /nfs/dbraw/zinc/36/20/16/336362016.db2.gz VWJVWTITZIMMMJ-YGRLFVJLSA-N 0 0 308.784 3.889 10 0 DHAERN COc1cccc2c1ncc(C)c2N(C)Cc1nc(C)cs1 ZINC000302674073 336364368 /nfs/dbraw/zinc/36/43/68/336364368.db2.gz SXEHZPYIBIQHBZ-UHFFFAOYSA-N 0 0 313.426 3.953 10 0 DHAERN COc1nc(C)nc(N[C@@H](C)c2csc(C(C)C)n2)c1C ZINC000302706289 336365798 /nfs/dbraw/zinc/36/57/98/336365798.db2.gz CKKHHTCMUHEOBC-JTQLQIEISA-N 0 0 306.435 3.855 10 0 DHAERN Fc1cccc2c(Nc3ccn(Cc4ccccc4)n3)ncnc12 ZINC000302898254 336373670 /nfs/dbraw/zinc/37/36/70/336373670.db2.gz PTQIBULBJBPYNF-UHFFFAOYSA-N 0 0 319.343 3.757 10 0 DHAERN C[C@H](N[C@@H](C)C(F)(F)F)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000389492937 336396683 /nfs/dbraw/zinc/39/66/83/336396683.db2.gz UWMFCPXALQZOEP-SDDRHHMPSA-N 0 0 324.387 3.562 10 0 DHAERN C[C@@H](N[C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F ZINC000389492939 336396727 /nfs/dbraw/zinc/39/67/27/336396727.db2.gz UWMFCPXALQZOEP-TUAOUCFPSA-N 0 0 324.387 3.562 10 0 DHAERN C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116041455 336830435 /nfs/dbraw/zinc/83/04/35/336830435.db2.gz YSNNGIUFDLETRP-XHDPSFHLSA-N 0 0 321.323 3.689 10 0 DHAERN CCOc1cccc(CNC(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116419553 336840252 /nfs/dbraw/zinc/84/02/52/336840252.db2.gz HKPZAPWTHHFGGK-INIZCTEOSA-N 0 0 314.385 3.725 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000118230648 336865586 /nfs/dbraw/zinc/86/55/86/336865586.db2.gz DZOKNVIIWPHKQX-NSHDSACASA-N 0 0 320.776 3.748 10 0 DHAERN CCC[C@@]1(COC)CCCN1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000193453372 336933983 /nfs/dbraw/zinc/93/39/83/336933983.db2.gz MAYRQAWQFHHZAJ-YOEHRIQHSA-N 0 0 308.422 3.640 10 0 DHAERN CCCOc1ccc(NC(=O)[C@H]2CC[C@@H](C)O2)cc1OCCC ZINC000122732031 337023020 /nfs/dbraw/zinc/02/30/20/337023020.db2.gz BIDHXYOPKDDKQF-CZUORRHYSA-N 0 0 321.417 3.770 10 0 DHAERN Cc1nc([C@H](C)NC(=O)COc2cccc(C(C)C)c2)cs1 ZINC000170497188 337083280 /nfs/dbraw/zinc/08/32/80/337083280.db2.gz OTLFAWAETBIPLZ-LBPRGKRZSA-N 0 0 318.442 3.831 10 0 DHAERN CC(C)c1nnc(CN2CCC[C@H](c3ccccc3)CC2)n1C ZINC000171091513 337086622 /nfs/dbraw/zinc/08/66/22/337086622.db2.gz VJLBSNYUCPDMCR-KRWDZBQOSA-N 0 0 312.461 3.708 10 0 DHAERN C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCS[C@@H](C)C1 ZINC000171700468 337088544 /nfs/dbraw/zinc/08/85/44/337088544.db2.gz PXNOUMWXYGZYQN-KBPBESRZSA-N 0 0 314.454 3.604 10 0 DHAERN Cc1nc2c(cnn2C)c(N(C)[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000171987108 337090633 /nfs/dbraw/zinc/09/06/33/337090633.db2.gz MPNVZBMBYAGPOL-JTQLQIEISA-N 0 0 315.808 3.523 10 0 DHAERN CCOc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1C ZINC000172001272 337090776 /nfs/dbraw/zinc/09/07/76/337090776.db2.gz RPKMRSFWMIREPK-MRXNPFEDSA-N 0 0 311.381 3.647 10 0 DHAERN CCCCSCCC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000172360675 337128994 /nfs/dbraw/zinc/12/89/94/337128994.db2.gz KJMGBDKZWDHNDE-ZDUSSCGKSA-N 0 0 323.458 3.558 10 0 DHAERN Cc1ccc2cccc(C(=O)N[C@H]3CCOc4ccccc43)c2n1 ZINC000172708073 337130454 /nfs/dbraw/zinc/13/04/54/337130454.db2.gz KEBQTVIGTPEXNJ-KRWDZBQOSA-N 0 0 318.376 3.797 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3cccc(C)c3)C2)n1 ZINC000173073844 337131923 /nfs/dbraw/zinc/13/19/23/337131923.db2.gz VZBPJDTZUOKHNC-MRXNPFEDSA-N 0 0 314.454 3.709 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C3CCCCCCC3)C2)c1 ZINC000172907428 337132279 /nfs/dbraw/zinc/13/22/79/337132279.db2.gz KWFQCLUTVKVELU-KRWDZBQOSA-N 0 0 303.450 3.716 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3CCCCCCC3)CC2)cn1 ZINC000172940266 337132544 /nfs/dbraw/zinc/13/25/44/337132544.db2.gz KOSLXTTWEVTQQU-UHFFFAOYSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CC2(O)CCCCC2)o1 ZINC000173189261 337133611 /nfs/dbraw/zinc/13/36/11/337133611.db2.gz XRQHOMIBMOKACW-OAHLLOKOSA-N 0 0 305.418 3.727 10 0 DHAERN C[C@@H](NCc1ccc(-c2ccccc2)o1)c1nnc2n1CCCC2 ZINC000173360852 337134932 /nfs/dbraw/zinc/13/49/32/337134932.db2.gz VVGYIPSZNHIVKZ-CQSZACIVSA-N 0 0 322.412 3.725 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 ZINC000173406554 337135109 /nfs/dbraw/zinc/13/51/09/337135109.db2.gz BOFFAIIEXISJLA-ZDUSSCGKSA-N 0 0 318.417 3.919 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)CC2CCCCC2)no1 ZINC000173453359 337135297 /nfs/dbraw/zinc/13/52/97/337135297.db2.gz QFWNLGPOJWWZGZ-CQSZACIVSA-N 0 0 305.422 3.827 10 0 DHAERN CSc1ccc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452576 337135302 /nfs/dbraw/zinc/13/53/02/337135302.db2.gz ZPBNVIBNKLYWLU-CHWSQXEVSA-N 0 0 316.474 3.748 10 0 DHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625782 337136987 /nfs/dbraw/zinc/13/69/87/337136987.db2.gz LZCIIZDDQTXSBB-WFASDCNBSA-N 0 0 302.397 3.555 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ncccc3C)C2)n1 ZINC000173649413 337137102 /nfs/dbraw/zinc/13/71/02/337137102.db2.gz UAPOYSOOQUNRPV-CYBMUJFWSA-N 0 0 316.430 3.566 10 0 DHAERN Cc1ocnc1C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173967241 337138044 /nfs/dbraw/zinc/13/80/44/337138044.db2.gz QLOUKAGHYNKYKX-LBPRGKRZSA-N 0 0 319.430 3.583 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000173854794 337138531 /nfs/dbraw/zinc/13/85/31/337138531.db2.gz REZIYBDEXGGDFG-MRXNPFEDSA-N 0 0 305.466 3.728 10 0 DHAERN CCO[C@H](CCNC(=O)N1CCC[C@@H]1c1ccco1)C(C)C ZINC000174312097 337142444 /nfs/dbraw/zinc/14/24/44/337142444.db2.gz XEMATDVYOULJSH-HUUCEWRRSA-N 0 0 308.422 3.577 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)CCc3ccoc3)C2)n1 ZINC000175413756 337145844 /nfs/dbraw/zinc/14/58/44/337145844.db2.gz QQNLNDNLKYSPHP-CQSZACIVSA-N 0 0 318.442 3.637 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)N[C@H](C)C3CC3)C2)n1 ZINC000175535752 337147913 /nfs/dbraw/zinc/14/79/13/337147913.db2.gz XYPQYCFLXUHGTA-OCCSQVGLSA-N 0 0 321.490 3.954 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@@H](C)C3CC3)C2)n1 ZINC000175535699 337147962 /nfs/dbraw/zinc/14/79/62/337147962.db2.gz XYPQYCFLXUHGTA-GXTWGEPZSA-N 0 0 321.490 3.954 10 0 DHAERN CSCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000177961283 337159375 /nfs/dbraw/zinc/15/93/75/337159375.db2.gz MCMGUWCVTHBVAG-KCJUWKMLSA-N 0 0 304.242 3.576 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)CC3CCCCCC3)C2)no1 ZINC000176230819 337149722 /nfs/dbraw/zinc/14/97/22/337149722.db2.gz BWOAQWIGVZXFMH-INIZCTEOSA-N 0 0 319.449 3.520 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)C3(CC)CCC3)C2)n1 ZINC000176076855 337150261 /nfs/dbraw/zinc/15/02/61/337150261.db2.gz XXKIHPDCJPZIOD-ZDUSSCGKSA-N 0 0 306.475 3.992 10 0 DHAERN Cc1cccnc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000177405700 337155853 /nfs/dbraw/zinc/15/58/53/337155853.db2.gz PJQOVRMNIZPUHI-CQSZACIVSA-N 0 0 311.385 3.814 10 0 DHAERN CC1(C)CCCN1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000177654543 337158289 /nfs/dbraw/zinc/15/82/89/337158289.db2.gz ORFCSAGXBXGZAM-CQSZACIVSA-N 0 0 302.418 3.873 10 0 DHAERN Cc1n[nH]cc1C(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000177956669 337159409 /nfs/dbraw/zinc/15/94/09/337159409.db2.gz WBESZQYPWDABIX-SKDRFNHKSA-N 0 0 324.211 3.558 10 0 DHAERN CC(=O)CCC(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000178006106 337159663 /nfs/dbraw/zinc/15/96/63/337159663.db2.gz SBMODQAABIALLQ-ZWNOBZJWSA-N 0 0 314.212 3.582 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)O1 ZINC000178022173 337159748 /nfs/dbraw/zinc/15/97/48/337159748.db2.gz DNUGDDPYCFYLPD-XWIAVFTESA-N 0 0 313.372 3.599 10 0 DHAERN C[C@@H](N[C@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077094 337160353 /nfs/dbraw/zinc/16/03/53/337160353.db2.gz OXKBGWWRTZJSPU-ZIAGYGMSSA-N 0 0 321.428 3.574 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(Br)cc2F)o1 ZINC000220939514 337167068 /nfs/dbraw/zinc/16/70/68/337167068.db2.gz DXMCKVSAZSJRDG-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000180473800 337174919 /nfs/dbraw/zinc/17/49/19/337174919.db2.gz GCYSMJAQNZABLP-OAHLLOKOSA-N 0 0 320.481 3.611 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2cccc(C[S@](C)=O)c2)CC(C)(C)C1 ZINC000180191693 337175326 /nfs/dbraw/zinc/17/53/26/337175326.db2.gz QDFFQMGHUXWZKU-QCPUYCGNSA-N 0 0 321.486 3.966 10 0 DHAERN CCn1ccnc1CSCc1cc(C(=O)OC)ccc1Cl ZINC000180718055 337177462 /nfs/dbraw/zinc/17/74/62/337177462.db2.gz PEKMUVKKEKKFMD-UHFFFAOYSA-N 0 0 324.833 3.776 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nnc(C2CCC2)n1C ZINC000181051888 337179435 /nfs/dbraw/zinc/17/94/35/337179435.db2.gz CTKNCPRHGIEBIF-LBPRGKRZSA-N 0 0 318.852 3.929 10 0 DHAERN C[C@@H](NCc1nnc(C2CCC2)n1C)c1ccc(F)c(Cl)c1 ZINC000181714256 337183815 /nfs/dbraw/zinc/18/38/15/337183815.db2.gz UEOOVRIVUBFHRH-SNVBAGLBSA-N 0 0 322.815 3.726 10 0 DHAERN O=C(NCc1cc2ccccc2o1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182395940 337188173 /nfs/dbraw/zinc/18/81/73/337188173.db2.gz NWHRUCJPGGXEJM-MRXNPFEDSA-N 0 0 324.384 3.593 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2ccc(C(=O)N(C)C)cc2)CC(C)(C)C1 ZINC000182484521 337188626 /nfs/dbraw/zinc/18/86/26/337188626.db2.gz PUHAYYJLNGZKFK-ZFWWWQNUSA-N 0 0 316.445 3.789 10 0 DHAERN CC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000182790301 337189862 /nfs/dbraw/zinc/18/98/62/337189862.db2.gz KNZWXWDCXVGZJF-BBRMVZONSA-N 0 0 316.445 3.724 10 0 DHAERN CCC[C@H](NC(=O)CN[C@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091579 337191343 /nfs/dbraw/zinc/19/13/43/337191343.db2.gz ZZZDLUJVXLDUJT-WBVHZDCISA-N 0 0 314.429 3.896 10 0 DHAERN Cc1noc(C2CCN(C(=O)[C@H]3C[C@H](C)CC(C)(C)C3)CC2)n1 ZINC000183274430 337192771 /nfs/dbraw/zinc/19/27/71/337192771.db2.gz WYPGBHFYZJWZML-WFASDCNBSA-N 0 0 319.449 3.546 10 0 DHAERN CC(C)Cn1ccnc1CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183989864 337194297 /nfs/dbraw/zinc/19/42/97/337194297.db2.gz YPRSKZDSDUBQJE-CABCVRRESA-N 0 0 305.466 3.618 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCC(c3ccnn3C)CC2)CC(C)(C)C1 ZINC000183885321 337195193 /nfs/dbraw/zinc/19/51/93/337195193.db2.gz FQWLMRRINLDFED-GOEBONIOSA-N 0 0 317.477 3.589 10 0 DHAERN O=C(Nc1ccncc1F)N[C@H]1CCc2cc(Cl)ccc21 ZINC000184120505 337196435 /nfs/dbraw/zinc/19/64/35/337196435.db2.gz QJTSVDYVGSOENZ-ZDUSSCGKSA-N 0 0 305.740 3.683 10 0 DHAERN CSc1cccc(C)c1NC(=O)N[C@@H]1COc2ccccc21 ZINC000184951200 337202036 /nfs/dbraw/zinc/20/20/36/337202036.db2.gz XBHASMWYTGYCOX-CYBMUJFWSA-N 0 0 314.410 3.972 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC2(CC2)C1 ZINC000185509572 337248598 /nfs/dbraw/zinc/24/85/98/337248598.db2.gz JBBXPAROMQKIEB-NWDGAFQWSA-N 0 0 304.356 3.693 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000185561241 337249059 /nfs/dbraw/zinc/24/90/59/337249059.db2.gz MITWZMPASCWNNG-HNNXBMFYSA-N 0 0 309.369 3.832 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc2c(cccc2F)[nH]1 ZINC000023877032 337249888 /nfs/dbraw/zinc/24/98/88/337249888.db2.gz YWIUUFRQZVEQLR-HNNXBMFYSA-N 0 0 310.328 3.561 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000185880226 337252405 /nfs/dbraw/zinc/25/24/05/337252405.db2.gz JQBHVMIWEVHSCB-KUHUBIRLSA-N 0 0 313.397 3.508 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186191902 337254376 /nfs/dbraw/zinc/25/43/76/337254376.db2.gz JTJNOUOUPAZMPT-IRXDYDNUSA-N 0 0 324.472 3.959 10 0 DHAERN CCOc1ccc(N[C@@H]2C[C@@H](OCC)C23CCOCC3)c(C)c1 ZINC000186445587 337256117 /nfs/dbraw/zinc/25/61/17/337256117.db2.gz MGQBAJJJANOGTL-QZTJIDSGSA-N 0 0 319.445 3.780 10 0 DHAERN CCCc1cccc(CN2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000186927435 337260522 /nfs/dbraw/zinc/26/05/22/337260522.db2.gz PFSULURTFHIDCF-KRWDZBQOSA-N 0 0 316.470 3.978 10 0 DHAERN CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)C2 ZINC000187662018 337267851 /nfs/dbraw/zinc/26/78/51/337267851.db2.gz PTANCLYBSDDUHV-AWEZNQCLSA-N 0 0 322.408 3.622 10 0 DHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000187901952 337268670 /nfs/dbraw/zinc/26/86/70/337268670.db2.gz JNYSFRHYJREDBP-KCQAQPDRSA-N 0 0 301.386 3.767 10 0 DHAERN Cc1ccc(CN(C(=O)[C@@H]2CCCO[C@H]2C)C2CC2)cc1C ZINC000187997625 337270829 /nfs/dbraw/zinc/27/08/29/337270829.db2.gz DVMUQACLYAKERN-MAUKXSAKSA-N 0 0 301.430 3.610 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1Cc1ccc(F)nc1 ZINC000189321902 337278664 /nfs/dbraw/zinc/27/86/64/337278664.db2.gz COZASUAHZQVEQA-MRXNPFEDSA-N 0 0 300.377 3.573 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2sc(CC3CC3)nc2C)o1 ZINC000189789174 337282137 /nfs/dbraw/zinc/28/21/37/337282137.db2.gz YAZJHDIEXSLXHR-JTQLQIEISA-N 0 0 304.415 3.796 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000190305054 337286504 /nfs/dbraw/zinc/28/65/04/337286504.db2.gz JAGYTGIAQBEVEG-CZUORRHYSA-N 0 0 304.459 3.601 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000190577522 337288927 /nfs/dbraw/zinc/28/89/27/337288927.db2.gz QXXQTOWLOODVRT-PWSUYJOCSA-N 0 0 316.228 3.767 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cc(-n3cccn3)ccc2C)o1 ZINC000191302186 337295790 /nfs/dbraw/zinc/29/57/90/337295790.db2.gz AWHPUCNDBHBDIY-AWEZNQCLSA-N 0 0 324.384 3.965 10 0 DHAERN O=C(NCc1ccc(C2CC2)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000191606691 337297893 /nfs/dbraw/zinc/29/78/93/337297893.db2.gz OQONQGWWMMTFLL-GOSISDBHSA-N 0 0 324.428 3.724 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@H]2C)cc1Br ZINC000191724135 337299620 /nfs/dbraw/zinc/29/96/20/337299620.db2.gz VVHIYZKUWJUAGZ-JQWIXIFHSA-N 0 0 312.207 3.511 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N1CCCC[C@H]1c1nccs1 ZINC000191823859 337300518 /nfs/dbraw/zinc/30/05/18/337300518.db2.gz KISMSBJOMVCJTK-ZDUSSCGKSA-N 0 0 308.447 3.592 10 0 DHAERN CCc1ccc([C@H]2CCCCN2c2ncnc3onc(C)c32)o1 ZINC000192464301 337305388 /nfs/dbraw/zinc/30/53/88/337305388.db2.gz PYLJLOZQANQPRG-CYBMUJFWSA-N 0 0 312.373 3.813 10 0 DHAERN C[C@H](NC(=O)Nc1ccc(-n2cccn2)cc1)c1cccs1 ZINC000192918742 337307559 /nfs/dbraw/zinc/30/75/59/337307559.db2.gz MQBHLXFYLRKLSC-LBPRGKRZSA-N 0 0 312.398 3.817 10 0 DHAERN CCc1nc([C@H]2CN(CC[C@@H](C)CCC=C(C)C)CCO2)n[nH]1 ZINC000193232988 337309522 /nfs/dbraw/zinc/30/95/22/337309522.db2.gz NYHSRKAWHKOTNO-JKSUJKDBSA-N 0 0 320.481 3.513 10 0 DHAERN Cc1cccc2c1CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)C[C@H](O)[C@H]21 ZINC000584602719 337371185 /nfs/dbraw/zinc/37/11/85/337371185.db2.gz YHOHNXHQPURKCB-OROIIQQLSA-N 0 0 300.442 3.573 10 0 DHAERN CCn1cc(C(=O)N2CCC[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000584606529 337371664 /nfs/dbraw/zinc/37/16/64/337371664.db2.gz XTEITOULAVWRAG-AWEZNQCLSA-N 0 0 317.820 3.576 10 0 DHAERN COC(=O)c1cc(-c2c(F)c(F)c(F)c(F)c2F)oc1C ZINC000584606820 337371737 /nfs/dbraw/zinc/37/17/37/337371737.db2.gz VTRRUXQIOAAMDY-UHFFFAOYSA-N 0 0 306.186 3.737 10 0 DHAERN CC(=O)O/C(Cl)=C\OCc1ccc(Br)cc1 ZINC000584609714 337371994 /nfs/dbraw/zinc/37/19/94/337371994.db2.gz XCXWGBJKVYLFPM-XFFZJAGNSA-N 0 0 305.555 3.567 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(/Br)c1ccccc1 ZINC000584610116 337372000 /nfs/dbraw/zinc/37/20/00/337372000.db2.gz IPSQBTBRLSXDGD-CSKARUKUSA-N 0 0 305.118 3.621 10 0 DHAERN Cc1cc(F)cc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1 ZINC000584620216 337372015 /nfs/dbraw/zinc/37/20/15/337372015.db2.gz XQPKWSFMNBGVND-UHFFFAOYSA-N 0 0 311.360 3.514 10 0 DHAERN Cn1cc(-c2c[nH]c3nccc(-c4ccc(F)c(F)c4)c23)cn1 ZINC000584620163 337372090 /nfs/dbraw/zinc/37/20/90/337372090.db2.gz OKQHFVUACSQGHU-UHFFFAOYSA-N 0 0 310.307 3.909 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(\Br)c1ccsc1 ZINC000584612005 337372263 /nfs/dbraw/zinc/37/22/63/337372263.db2.gz XXNFRSIPLABZOB-YVMONPNESA-N 0 0 311.147 3.682 10 0 DHAERN O=C1NC[C@@H](Cc2ccccc2)c2cc(Br)ccc21 ZINC000584613004 337372504 /nfs/dbraw/zinc/37/25/04/337372504.db2.gz HNYGEPUGIDBUCD-GFCCVEGCSA-N 0 0 316.198 3.519 10 0 DHAERN CCCCC[C@@H](O)/C=C\CCCC(=O)CCCCC(=O)OC ZINC000584615685 337372734 /nfs/dbraw/zinc/37/27/34/337372734.db2.gz GCDPERZEZJYPGJ-JQPKSGMCSA-N 0 0 312.450 3.957 10 0 DHAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CO[C@H](OC)[C@@]3(C)CC[C@H]21 ZINC000584617767 337373055 /nfs/dbraw/zinc/37/30/55/337373055.db2.gz PIAFYQWRSNCWID-GFEQUFNTSA-N 0 0 302.414 3.760 10 0 DHAERN CS(=O)(=O)c1ccc2c(ccn2Cc2ccc(Cl)cc2)c1 ZINC000584618907 337373313 /nfs/dbraw/zinc/37/33/13/337373313.db2.gz YRNMEVMSNJAYIU-UHFFFAOYSA-N 0 0 319.813 3.747 10 0 DHAERN O=C1[C@@H](c2ccccc2)CCN1c1ccc(-c2cnco2)cc1 ZINC000584629847 337376547 /nfs/dbraw/zinc/37/65/47/337376547.db2.gz PRXGBPBJCZSFCC-QGZVFWFLSA-N 0 0 304.349 3.862 10 0 DHAERN CCOC(=O)[C@]1(Cl)C[C@@H]1C(=O)c1cccc2ccccc21 ZINC000584660371 337378249 /nfs/dbraw/zinc/37/82/49/337378249.db2.gz ZVWFJRZOKFNXMW-PBHICJAKSA-N 0 0 302.757 3.583 10 0 DHAERN CCOC(=O)C1CCC(c2nc(Br)cs2)CC1 ZINC000584645596 337380326 /nfs/dbraw/zinc/38/03/26/337380326.db2.gz KHXUIRPXNXIHPZ-UHFFFAOYSA-N 0 0 318.236 3.743 10 0 DHAERN O=C(Nc1ccccc1)N1CCn2ncc(-c3ccccc3)c2C1 ZINC000584648393 337380396 /nfs/dbraw/zinc/38/03/96/337380396.db2.gz IFIMJVILACOYPQ-UHFFFAOYSA-N 0 0 318.380 3.598 10 0 DHAERN CC[C@H](CC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)C(C)C ZINC000105851155 337386794 /nfs/dbraw/zinc/38/67/94/337386794.db2.gz KVSBOCJDXFTQKL-CVEARBPZSA-N 0 0 305.466 3.773 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000105846411 337386879 /nfs/dbraw/zinc/38/68/79/337386879.db2.gz IBBMKCDNVSYQLU-HNNXBMFYSA-N 0 0 317.820 3.668 10 0 DHAERN CCCc1nc(CN2CCC[C@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720511 337391709 /nfs/dbraw/zinc/39/17/09/337391709.db2.gz OAMJNWPFYUCGSC-HNNXBMFYSA-N 0 0 318.490 3.783 10 0 DHAERN COCc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1 ZINC000115365812 337392085 /nfs/dbraw/zinc/39/20/85/337392085.db2.gz AJALTRSGWDOWND-OAHLLOKOSA-N 0 0 316.426 3.657 10 0 DHAERN O=C(CN1CCC[C@H]1c1ccco1)Nc1ccc(F)cc1Cl ZINC000116288537 337392461 /nfs/dbraw/zinc/39/24/61/337392461.db2.gz IKNVIASWFRXXCY-AWEZNQCLSA-N 0 0 322.767 3.848 10 0 DHAERN Cc1cc(CNC(=O)N2CCC[C@H]2c2ccco2)ccc1F ZINC000116413830 337392664 /nfs/dbraw/zinc/39/26/64/337392664.db2.gz ZTZGTNBKPKICQU-HNNXBMFYSA-N 0 0 302.349 3.774 10 0 DHAERN O=C(NCc1ccc(Cl)cc1)N1CCC[C@H]1c1ccco1 ZINC000116406111 337392676 /nfs/dbraw/zinc/39/26/76/337392676.db2.gz HPGIXLYSUSLIBF-AWEZNQCLSA-N 0 0 304.777 3.980 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)O1 ZINC000123641750 337400216 /nfs/dbraw/zinc/40/02/16/337400216.db2.gz YSAVKEUMDSDCDI-DNVCBOLYSA-N 0 0 309.409 3.502 10 0 DHAERN CCCCCC(C)(C)CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000123745573 337400972 /nfs/dbraw/zinc/40/09/72/337400972.db2.gz WFKDEVMAZWGBJU-OAHLLOKOSA-N 0 0 320.481 3.526 10 0 DHAERN C[C@H](Cc1ccccc1)C(=O)N1CCC(c2nccs2)CC1 ZINC000041313156 337401470 /nfs/dbraw/zinc/40/14/70/337401470.db2.gz OUSKAHYJLOMQSU-CQSZACIVSA-N 0 0 314.454 3.728 10 0 DHAERN O=C(Cc1cc(F)c(F)cc1F)N1CCC[C@@H]1c1ccco1 ZINC000126283208 337416089 /nfs/dbraw/zinc/41/60/89/337416089.db2.gz ODBDOOJAFWOZMY-CQSZACIVSA-N 0 0 309.287 3.603 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126589847 337417138 /nfs/dbraw/zinc/41/71/38/337417138.db2.gz BKFPWLBACSSZIG-IAGOWNOFSA-N 0 0 320.481 3.513 10 0 DHAERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000127076357 337419116 /nfs/dbraw/zinc/41/91/16/337419116.db2.gz IBVJMJFLKXUVGU-HNNXBMFYSA-N 0 0 320.481 3.520 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(COC)o2)o1 ZINC000129439081 337429520 /nfs/dbraw/zinc/42/95/20/337429520.db2.gz LVJQXNKWTAWIHK-HNNXBMFYSA-N 0 0 317.385 3.949 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H](C)CC(C)C)C2)n1 ZINC000133349202 337445063 /nfs/dbraw/zinc/44/50/63/337445063.db2.gz KXKQYUMMMUKQPT-TZMCWYRMSA-N 0 0 309.479 3.775 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(SC)o2)C12CCCC2 ZINC000134125817 337447752 /nfs/dbraw/zinc/44/77/52/337447752.db2.gz IKBBVFSYLOIKOW-UONOGXRCSA-N 0 0 323.458 3.811 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)c(F)c1 ZINC000053961504 337452734 /nfs/dbraw/zinc/45/27/34/337452734.db2.gz BQFFVAYGVCROBA-CQSZACIVSA-N 0 0 300.333 3.779 10 0 DHAERN O=C(Nc1ccc(F)cc1Cl)N[C@@H]1COc2ccccc21 ZINC000194717020 337463401 /nfs/dbraw/zinc/46/34/01/337463401.db2.gz PHEWHLPZJKMIEM-CYBMUJFWSA-N 0 0 306.724 3.734 10 0 DHAERN O=C(Nc1ccccc1N1CCCC1)N[C@@H]1COc2ccccc21 ZINC000194720430 337463451 /nfs/dbraw/zinc/46/34/51/337463451.db2.gz YAQQCQYMAZLXOF-MRXNPFEDSA-N 0 0 323.396 3.542 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1ccccc1C(F)(F)F ZINC000194854269 337463965 /nfs/dbraw/zinc/46/39/65/337463965.db2.gz JVAFFDYJWSSZFF-CYBMUJFWSA-N 0 0 307.271 3.569 10 0 DHAERN CCn1c(C)nnc1CN1CC2(CCCC2)c2c1cccc2F ZINC000195125259 337465470 /nfs/dbraw/zinc/46/54/70/337465470.db2.gz HXKHCPJQOZFNTR-UHFFFAOYSA-N 0 0 314.408 3.578 10 0 DHAERN CC(C)n1ccnc1CSc1nnc(-c2cccs2)o1 ZINC000195516969 337468087 /nfs/dbraw/zinc/46/80/87/337468087.db2.gz YSXQCYQYUUGFLC-UHFFFAOYSA-N 0 0 306.416 3.868 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000245716327 337490183 /nfs/dbraw/zinc/49/01/83/337490183.db2.gz ODHXAHINGDINMV-NUJGCVRESA-N 0 0 301.430 3.776 10 0 DHAERN CC(C)[C@@H](C)CC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000067924452 337544083 /nfs/dbraw/zinc/54/40/83/337544083.db2.gz WTKSWXFJBYKGNP-LRDDRELGSA-N 0 0 311.372 3.547 10 0 DHAERN CCCn1ccc2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc21 ZINC000076327869 337568435 /nfs/dbraw/zinc/56/84/35/337568435.db2.gz BOCPQIAFODBGIO-DYVFJYSZSA-N 0 0 315.417 3.740 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C[C@H]2CCC[C@H]2C)no1 ZINC000249019090 337569274 /nfs/dbraw/zinc/56/92/74/337569274.db2.gz QFZANAYUVZPUNF-MCIONIFRSA-N 0 0 305.422 3.683 10 0 DHAERN C[C@H](c1ccc(F)c(F)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000249875754 337572082 /nfs/dbraw/zinc/57/20/82/337572082.db2.gz LQLNUEYBTNDSIR-QMTHXVAHSA-N 0 0 310.369 3.556 10 0 DHAERN CSc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000076958401 337574476 /nfs/dbraw/zinc/57/44/76/337574476.db2.gz UDZQGNSIXXBXPC-QWHCGFSZSA-N 0 0 319.426 3.955 10 0 DHAERN CSc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000076958400 337574554 /nfs/dbraw/zinc/57/45/54/337574554.db2.gz UDZQGNSIXXBXPC-CHWSQXEVSA-N 0 0 319.426 3.955 10 0 DHAERN C[C@H]1COC[C@H](C)N1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000077367482 337579189 /nfs/dbraw/zinc/57/91/89/337579189.db2.gz XDNCINXQEQXURK-HOTGVXAUSA-N 0 0 324.424 3.548 10 0 DHAERN CCC(CC)(C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C(=O)[O-] ZINC000263110958 337624605 /nfs/dbraw/zinc/62/46/05/337624605.db2.gz YQPZKKFADOKYLQ-ZBFHGGJFSA-N 0 0 307.409 3.942 10 0 DHAERN CC(C)[C@@H]([NH2+]CCCc1c(Cl)cccc1Cl)C(=O)[O-] ZINC000263320510 337626439 /nfs/dbraw/zinc/62/64/39/337626439.db2.gz JLPYLTFRFIMBPQ-CYBMUJFWSA-N 0 0 304.217 3.625 10 0 DHAERN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCc2ccccc21 ZINC000263438897 337629096 /nfs/dbraw/zinc/62/90/96/337629096.db2.gz VQEUDQVOJUBWFT-KDOFPFPSSA-N 0 0 309.409 3.983 10 0 DHAERN C[C@H](C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CCOCC1 ZINC000162775420 337665472 /nfs/dbraw/zinc/66/54/72/337665472.db2.gz FXDAWCXRSJNRGJ-STQMWFEESA-N 0 0 309.837 3.922 10 0 DHAERN CCCCC1CCC(C(=O)N[C@@H]2CCCn3nc(C)nc32)CC1 ZINC000081580238 337725924 /nfs/dbraw/zinc/72/59/24/337725924.db2.gz HZHQLCQZQFYVEH-UYSNPLJNSA-N 0 0 318.465 3.534 10 0 DHAERN O=C(N[C@@H](c1ccccc1)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000045124632 337819114 /nfs/dbraw/zinc/81/91/14/337819114.db2.gz SRIJDMCKKPYVIE-HKUYNNGSSA-N 0 0 322.408 3.961 10 0 DHAERN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc3ccccc32)C[C@@H](C)O1 ZINC000107533229 337829822 /nfs/dbraw/zinc/82/98/22/337829822.db2.gz SBUMMJSDAGYICW-TWKYDXJASA-N 0 0 309.409 3.579 10 0 DHAERN Cc1ccc(CN[C@H]2COc3ccccc32)c(Br)c1 ZINC000119090088 337854299 /nfs/dbraw/zinc/85/42/99/337854299.db2.gz OUAUZSLLALLKMN-HNNXBMFYSA-N 0 0 318.214 3.981 10 0 DHAERN CCCN(CC(F)F)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000119186732 337855003 /nfs/dbraw/zinc/85/50/03/337855003.db2.gz YMCFPHLALLVPHV-CQSZACIVSA-N 0 0 314.351 3.890 10 0 DHAERN C[C@@]1(C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1(Cl)Cl ZINC000089364289 337868620 /nfs/dbraw/zinc/86/86/20/337868620.db2.gz IMZGYIWOZSLMSY-HNNXBMFYSA-N 0 0 323.223 3.637 10 0 DHAERN CN(C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1nc2ccccc2n1C ZINC000120139537 337870476 /nfs/dbraw/zinc/87/04/76/337870476.db2.gz ZXFOMQIEFHWCDN-HUUCEWRRSA-N 0 0 311.429 3.753 10 0 DHAERN CC(C)[C@H](C)CC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000089953849 337876204 /nfs/dbraw/zinc/87/62/04/337876204.db2.gz FZBZWFNWJMDNMU-KGLIPLIRSA-N 0 0 315.417 3.639 10 0 DHAERN O=C(CSCC(F)(F)F)N1CC=C(c2cccs2)CC1 ZINC000090595740 337883261 /nfs/dbraw/zinc/88/32/61/337883261.db2.gz CCBHZEKNFWJVLP-UHFFFAOYSA-N 0 0 321.389 3.659 10 0 DHAERN C[C@H](CCc1ccccc1)SCc1nnc(C2CC2)n1C ZINC000091028961 337888442 /nfs/dbraw/zinc/88/84/42/337888442.db2.gz RVQMHUPXNFAYRU-CYBMUJFWSA-N 0 0 301.459 3.947 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccncc1 ZINC000091095697 337889810 /nfs/dbraw/zinc/88/98/10/337889810.db2.gz WUZOOEWRDDSWMR-OALUTQOASA-N 0 0 324.424 3.649 10 0 DHAERN Cc1ccccc1[C@H]1CCCN1C(=O)C[C@H](O)c1ccccc1 ZINC000091170885 337890151 /nfs/dbraw/zinc/89/01/51/337890151.db2.gz MQSLXLFQJWDBSE-MOPGFXCFSA-N 0 0 309.409 3.782 10 0 DHAERN Cc1cccc([C@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)c1 ZINC000091171607 337890185 /nfs/dbraw/zinc/89/01/85/337890185.db2.gz FYJADUXDKYEPJF-RTBURBONSA-N 0 0 309.409 3.782 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000091171156 337890226 /nfs/dbraw/zinc/89/02/26/337890226.db2.gz QMIDJEHDXXLIDC-ROUUACIJSA-N 0 0 313.372 3.613 10 0 DHAERN CCn1cc(C2CCN(C(=O)NCCCC(C)(C)C)CC2)cn1 ZINC000121288056 337890308 /nfs/dbraw/zinc/89/03/08/337890308.db2.gz OTTLGOOJDZQKSE-UHFFFAOYSA-N 0 0 320.481 3.618 10 0 DHAERN CCCC(=O)N[C@@H]1CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000121549470 337895412 /nfs/dbraw/zinc/89/54/12/337895412.db2.gz AUYQXEWKCDSONR-MRXNPFEDSA-N 0 0 322.493 3.500 10 0 DHAERN CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(C)c(F)c2)cc1 ZINC000121708564 337898332 /nfs/dbraw/zinc/89/83/32/337898332.db2.gz VXPUBGDFRRYGET-GFCCVEGCSA-N 0 0 314.360 3.584 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2Cc2ncn(-c3ccccc3)n2)o1 ZINC000092797742 337909179 /nfs/dbraw/zinc/90/91/79/337909179.db2.gz YYUWTQLIIITJTJ-KRWDZBQOSA-N 0 0 322.412 3.896 10 0 DHAERN Oc1cccc(CN[C@H]2CCc3ccccc32)c1Br ZINC000315065087 337980341 /nfs/dbraw/zinc/98/03/41/337980341.db2.gz VQKRGZHQZZBILS-AWEZNQCLSA-N 0 0 318.214 3.932 10 0 DHAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1cc(Cl)ccc1Cl ZINC000085986935 338012827 /nfs/dbraw/zinc/01/28/27/338012827.db2.gz LIZQCMWIXNAWTB-ZANVPECISA-N 0 0 317.216 3.666 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2Br)O1 ZINC000155710218 338303830 /nfs/dbraw/zinc/30/38/30/338303830.db2.gz CAJJEYDIXZJGRU-WRWORJQWSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CCN(C[C@H](O)COC(C)(C)C)c2ccccc2S1 ZINC000157353440 338421131 /nfs/dbraw/zinc/42/11/31/338421131.db2.gz MRZXNCPVBAJKOP-KGLIPLIRSA-N 0 0 309.475 3.553 10 0 DHAERN CSC1(CNC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000194922352 338779266 /nfs/dbraw/zinc/77/92/66/338779266.db2.gz DTJVNMNADKWFRK-SECBINFHSA-N 0 0 316.829 3.735 10 0 DHAERN Cc1cc(Br)cc(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000300420039 340225477 /nfs/dbraw/zinc/22/54/77/340225477.db2.gz JINWSHRYRGCKFU-BFHYXJOUSA-N 0 0 310.235 3.983 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc2ccccc2o1 ZINC000172955646 340349950 /nfs/dbraw/zinc/34/99/50/340349950.db2.gz JXCCNXJLEXEZGG-AWEZNQCLSA-N 0 0 309.365 3.768 10 0 DHAERN C[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)C[C@H](C)O1 ZINC000173009383 340353328 /nfs/dbraw/zinc/35/33/28/340353328.db2.gz SGLPTKXNXZVLNO-QEFXCSQDSA-N 0 0 301.430 3.596 10 0 DHAERN O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCSc2ncccc21 ZINC000173300564 340361769 /nfs/dbraw/zinc/36/17/69/340361769.db2.gz JHLGSKFRFAOTKC-ZIAGYGMSSA-N 0 0 302.443 3.737 10 0 DHAERN OCCCCCOc1cc(F)c(Br)cc1Cl ZINC000304298727 340362728 /nfs/dbraw/zinc/36/27/28/340362728.db2.gz HKUWOBQEGDIZBL-UHFFFAOYSA-N 0 0 311.578 3.783 10 0 DHAERN CCN(C(=O)N[C@@H](C)COCc1ccccc1)[C@H](C)C(C)C ZINC000173335989 340362820 /nfs/dbraw/zinc/36/28/20/340362820.db2.gz NOMCPVZOTCZPGN-JKSUJKDBSA-N 0 0 306.450 3.668 10 0 DHAERN CSCc1cc(C(=O)N[C@H]2COc3ccccc32)ccc1F ZINC000174146972 340382916 /nfs/dbraw/zinc/38/29/16/340382916.db2.gz MVNQYZJSVYAPFO-HNNXBMFYSA-N 0 0 317.385 3.552 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(F)c(F)c1 ZINC000174376670 340387183 /nfs/dbraw/zinc/38/71/83/340387183.db2.gz CTJFQOOZWFOVTA-GFCCVEGCSA-N 0 0 320.339 3.692 10 0 DHAERN CCc1ccccc1NC(=O)N[C@H](C)COCc1ccccc1 ZINC000174538114 340391112 /nfs/dbraw/zinc/39/11/12/340391112.db2.gz PBRBIABCLDJTRK-OAHLLOKOSA-N 0 0 312.413 3.976 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]2CCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000174533726 340391125 /nfs/dbraw/zinc/39/11/25/340391125.db2.gz RUTGQKUGLIIFJB-OZVIIMIRSA-N 0 0 308.372 4.000 10 0 DHAERN C[C@H](NC(=O)NCCC1CC1)c1ccccc1Br ZINC000174556518 340391425 /nfs/dbraw/zinc/39/14/25/340391425.db2.gz BZOSPRCEKPHMMH-JTQLQIEISA-N 0 0 311.223 3.609 10 0 DHAERN C[C@@H](NC(=O)NCCC1CC1)c1ccccc1Br ZINC000174556531 340391463 /nfs/dbraw/zinc/39/14/63/340391463.db2.gz BZOSPRCEKPHMMH-SNVBAGLBSA-N 0 0 311.223 3.609 10 0 DHAERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@@H]1C ZINC000174851205 340397580 /nfs/dbraw/zinc/39/75/80/340397580.db2.gz PIHOPGCBABLWKZ-FVCCEPFGSA-N 0 0 306.372 3.938 10 0 DHAERN CC(C)CCCNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000174908878 340398984 /nfs/dbraw/zinc/39/89/84/340398984.db2.gz VDNDBZXKCPPHID-OAHLLOKOSA-N 0 0 314.433 3.669 10 0 DHAERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccs1 ZINC000175069504 340402333 /nfs/dbraw/zinc/40/23/33/340402333.db2.gz UTOPCVJAEXQHNH-WCQYABFASA-N 0 0 307.390 3.922 10 0 DHAERN CC[C@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000175170431 340404402 /nfs/dbraw/zinc/40/44/02/340404402.db2.gz MHLBEJLFOBTXCI-OCCSQVGLSA-N 0 0 305.349 3.762 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)o1 ZINC000175343473 340409783 /nfs/dbraw/zinc/40/97/83/340409783.db2.gz NKFJGIDXSXDLMS-SMDDNHRTSA-N 0 0 319.430 3.864 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N(C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000175600783 340415433 /nfs/dbraw/zinc/41/54/33/340415433.db2.gz TZXMNEFPJTVKJF-ZBFHGGJFSA-N 0 0 320.433 3.782 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000175992414 340424179 /nfs/dbraw/zinc/42/41/79/340424179.db2.gz XMXJCTYMJLPYGC-DLBZAZTESA-N 0 0 320.481 3.897 10 0 DHAERN Cc1cc(NC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000177133507 340436593 /nfs/dbraw/zinc/43/65/93/340436593.db2.gz QJAUWKKMKUDEBR-ZDUSSCGKSA-N 0 0 317.389 3.901 10 0 DHAERN C[C@H](c1ccccc1)[C@H](C)NC(=O)N[C@@H]1COc2ccccc21 ZINC000177449325 340440473 /nfs/dbraw/zinc/44/04/73/340440473.db2.gz MXVPNLSWSUWOQG-GRDNDAEWSA-N 0 0 310.397 3.612 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCCCc2ccccn2)c2ccccc21 ZINC000179087454 340453132 /nfs/dbraw/zinc/45/31/32/340453132.db2.gz ANIXNQJHVPNCGN-DNVCBOLYSA-N 0 0 323.440 3.952 10 0 DHAERN C[C@H](NC(=O)c1cccnc1C(F)(F)F)c1cccs1 ZINC000184018481 340490457 /nfs/dbraw/zinc/49/04/57/340490457.db2.gz VYPBTLMIGDWWGV-QMMMGPOBSA-N 0 0 300.305 3.653 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000191382534 340553722 /nfs/dbraw/zinc/55/37/22/340553722.db2.gz BMGBEGLCDAENCV-YJBOKZPZSA-N 0 0 309.409 3.707 10 0 DHAERN Cc1cc2sc(NCc3cn(C(C)(C)C)nn3)nc2c(C)c1 ZINC000191516563 340555184 /nfs/dbraw/zinc/55/51/84/340555184.db2.gz VNOBKYOBCMOKRD-UHFFFAOYSA-N 0 0 315.446 3.872 10 0 DHAERN C[C@H]1CCSCCN1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000191583825 340556219 /nfs/dbraw/zinc/55/62/19/340556219.db2.gz PISWJIBMESIIRO-XHDPSFHLSA-N 0 0 324.877 3.864 10 0 DHAERN COc1ccc2c(c1)CCN2C(=O)N[C@@H](C)c1cccs1 ZINC000195124039 340574768 /nfs/dbraw/zinc/57/47/68/340574768.db2.gz ZOYHSVASRNXXLR-NSHDSACASA-N 0 0 302.399 3.590 10 0 DHAERN C[C@@H](NC(=O)C(=O)c1ccccc1)c1ccc(F)cc1Cl ZINC000194331984 340591186 /nfs/dbraw/zinc/59/11/86/340591186.db2.gz LDPMHTKLRFUAJF-SNVBAGLBSA-N 0 0 305.736 3.539 10 0 DHAERN CC[C@@H](Nc1ncc(Br)c(OC)n1)c1ccccc1 ZINC000228057756 340606335 /nfs/dbraw/zinc/60/63/35/340606335.db2.gz YJTHTFJFKBUJPZ-GFCCVEGCSA-N 0 0 322.206 3.811 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccccc1Br ZINC000230169221 340619241 /nfs/dbraw/zinc/61/92/41/340619241.db2.gz QMKUTHPNHYPPGI-DGCLKSJQSA-N 0 0 310.235 3.844 10 0 DHAERN Cc1cc(Br)cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000230228409 340619498 /nfs/dbraw/zinc/61/94/98/340619498.db2.gz JINWSHRYRGCKFU-MCIONIFRSA-N 0 0 310.235 3.983 10 0 DHAERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCOc2ccccc21 ZINC000082340617 340711697 /nfs/dbraw/zinc/71/16/97/340711697.db2.gz FYDIHEVIUICMLP-CJNGLKHVSA-N 0 0 308.381 3.671 10 0 DHAERN Cc1cncc(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000124475842 340799274 /nfs/dbraw/zinc/79/92/74/340799274.db2.gz BVFKHWRFBCVTRF-MOPGFXCFSA-N 0 0 308.425 3.933 10 0 DHAERN CCCOc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000125426707 340804070 /nfs/dbraw/zinc/80/40/70/340804070.db2.gz FTWLMEGCQYWLHD-MRXNPFEDSA-N 0 0 312.369 3.731 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000128333335 340875271 /nfs/dbraw/zinc/87/52/71/340875271.db2.gz ATMJWGCFCRUBJE-RLFYNMQTSA-N 0 0 316.445 3.880 10 0 DHAERN Fc1ccc(Br)cc1CN[C@@H]1COc2ccccc21 ZINC000070070347 340988585 /nfs/dbraw/zinc/98/85/85/340988585.db2.gz UDVPHLMKFFQPBP-CQSZACIVSA-N 0 0 322.177 3.812 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000542212685 341000529 /nfs/dbraw/zinc/00/05/29/341000529.db2.gz JCGHTDQNBBVENM-MFKMUULPSA-N 0 0 308.219 3.774 10 0 DHAERN CCc1nnc(COc2ccc(Cl)c3ccccc23)n1C ZINC000130460807 341022304 /nfs/dbraw/zinc/02/23/04/341022304.db2.gz UQOKGTRYMKFPFE-UHFFFAOYSA-N 0 0 301.777 3.763 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C(c1ccccc1)c1ccccc1 ZINC000130481967 341022691 /nfs/dbraw/zinc/02/26/91/341022691.db2.gz MJBOODXHOUIXGV-GJYPPUQNSA-N 0 0 323.436 3.891 10 0 DHAERN C[C@@H](SCc1nnc(C2CC2)n1C)c1c(F)cccc1F ZINC000130657424 341037049 /nfs/dbraw/zinc/03/70/49/341037049.db2.gz IFLMBXQYZBCPIG-SECBINFHSA-N 0 0 309.385 3.965 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2c3ccccc3OC[C@@H]2C)cc1 ZINC000072531682 341090081 /nfs/dbraw/zinc/09/00/81/341090081.db2.gz MFSAQNVLZYTIGV-KBPBESRZSA-N 0 0 311.381 3.613 10 0 DHAERN C[C@H](NC(=O)N(C)C1CCC1)c1cccc(Br)c1 ZINC000073630166 341119449 /nfs/dbraw/zinc/11/94/49/341119449.db2.gz UDXLDDKAABANLU-JTQLQIEISA-N 0 0 311.223 3.704 10 0 DHAERN O=C(Nc1ccc(-n2cccn2)cc1)c1cccc2[nH]ccc21 ZINC000132515787 341125357 /nfs/dbraw/zinc/12/53/57/341125357.db2.gz PFQOLHXSJJRPKZ-UHFFFAOYSA-N 0 0 302.337 3.606 10 0 DHAERN COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000134214747 341209548 /nfs/dbraw/zinc/20/95/48/341209548.db2.gz OHILYNSLSDEDPS-ZWKOTPCHSA-N 0 0 301.430 3.666 10 0 DHAERN O=C(c1cc2cc(F)ccc2s1)N1CCO[C@H]2CCCC[C@H]21 ZINC000076925869 341215805 /nfs/dbraw/zinc/21/58/05/341215805.db2.gz UTLYKMGFZYLFTQ-KGLIPLIRSA-N 0 0 319.401 3.824 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC(C)(C)C2)cc1 ZINC000076958152 341216349 /nfs/dbraw/zinc/21/63/49/341216349.db2.gz SKPXSFNLMQYXSO-IRXDYDNUSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H](NC(=O)N(C)C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000076997053 341216660 /nfs/dbraw/zinc/21/66/60/341216660.db2.gz KYSPKCDTWJYYEQ-KSSFIOAISA-N 0 0 312.413 3.721 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(O)c2)cc1 ZINC000077001675 341216885 /nfs/dbraw/zinc/21/68/85/341216885.db2.gz YNYYKOZUGVBUTQ-MOPGFXCFSA-N 0 0 309.409 3.936 10 0 DHAERN CCCCN(CCO)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000078317946 341240293 /nfs/dbraw/zinc/24/02/93/341240293.db2.gz KNFHNARMEJJJGA-HNNXBMFYSA-N 0 0 314.429 3.705 10 0 DHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H](C)C(C)C)c1 ZINC000079122287 341253984 /nfs/dbraw/zinc/25/39/84/341253984.db2.gz LTHOSPXPOLNVGE-SNVBAGLBSA-N 0 0 311.813 3.855 10 0 DHAERN CC(C)C[C@@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000136353173 341257246 /nfs/dbraw/zinc/25/72/46/341257246.db2.gz XSQGKWMIDGLAJS-KDOFPFPSSA-N 0 0 314.429 3.607 10 0 DHAERN CC(C)(C)Oc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000079412674 341258618 /nfs/dbraw/zinc/25/86/18/341258618.db2.gz YRHORBZHPOSETK-IAGOWNOFSA-N 0 0 317.429 3.648 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000079540900 341261002 /nfs/dbraw/zinc/26/10/02/341261002.db2.gz AGBUQFODBWXVHY-UFBFGSQYSA-N 0 0 316.626 3.560 10 0 DHAERN C[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1cccc(Cl)c1 ZINC000136702352 341265525 /nfs/dbraw/zinc/26/55/25/341265525.db2.gz VCCIZLZTAJHYKI-SJCJKPOMSA-N 0 0 315.800 3.831 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1coc(-c2ccccc2)n1 ZINC000081568942 341297107 /nfs/dbraw/zinc/29/71/07/341297107.db2.gz BDQJPNLTWHWEEO-CYBMUJFWSA-N 0 0 316.401 3.504 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000245536233 341300294 /nfs/dbraw/zinc/30/02/94/341300294.db2.gz ZGTZOZSUAWFSKI-JFIYKMOQSA-N 0 0 316.445 3.524 10 0 DHAERN C[C@H](Cc1ccccc1Cl)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000245563552 341302326 /nfs/dbraw/zinc/30/23/26/341302326.db2.gz VWKZGYIETNEUPJ-KBRIMQKVSA-N 0 0 321.848 3.689 10 0 DHAERN CC[C@@H](C)[C@@H](C)NC(=O)[C@H]1CCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)CC ZINC000245690784 341309918 /nfs/dbraw/zinc/30/99/18/341309918.db2.gz ORLHHVSGRIABNG-LZEWCKNJSA-N 0 0 324.509 3.504 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000245741281 341312743 /nfs/dbraw/zinc/31/27/43/341312743.db2.gz RPXDLIFUAPWLNY-CTASWTNQSA-N 0 0 319.445 3.953 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000246129662 341328202 /nfs/dbraw/zinc/32/82/02/341328202.db2.gz BZAMLSWPPBCVRB-OLMNPRSZSA-N 0 0 319.420 3.564 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000246164874 341330877 /nfs/dbraw/zinc/33/08/77/341330877.db2.gz IZTPMYLGANILAH-KBUPBQIOSA-N 0 0 305.368 3.717 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CCCc2ccccc2)O1 ZINC000246247749 341337629 /nfs/dbraw/zinc/33/76/29/341337629.db2.gz HJLLBOLBRKASGO-NXHRZFHOSA-N 0 0 301.430 3.568 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000246554604 341353622 /nfs/dbraw/zinc/35/36/22/341353622.db2.gz DOZMKWOKNFGCJA-YGBSJELFSA-N 0 0 321.420 3.894 10 0 DHAERN CCC[C@H](CCO)CNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246697448 341355840 /nfs/dbraw/zinc/35/58/40/341355840.db2.gz WXYIUJITCLHUFF-IIDMSEBBSA-N 0 0 318.461 3.723 10 0 DHAERN COC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000246900921 341358409 /nfs/dbraw/zinc/35/84/09/341358409.db2.gz HDBJJZILFMBHCU-LZQZEXGQSA-N 0 0 315.457 3.799 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000246909515 341358572 /nfs/dbraw/zinc/35/85/72/341358572.db2.gz HIWIAJYWFHJOLX-ULQDDVLXSA-N 0 0 310.397 3.930 10 0 DHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246958605 341359247 /nfs/dbraw/zinc/35/92/47/341359247.db2.gz PCOMDTSRZSZHAR-FRFSOERESA-N 0 0 321.486 3.931 10 0 DHAERN C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000247274905 341363040 /nfs/dbraw/zinc/36/30/40/341363040.db2.gz DQJPFXBLSFWMAO-BZUAXINKSA-N 0 0 311.429 3.876 10 0 DHAERN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000248071346 341373089 /nfs/dbraw/zinc/37/30/89/341373089.db2.gz QJDNGBGKBRENEP-ISTVAULSSA-N 0 0 316.228 3.608 10 0 DHAERN CCO[C@H](C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248164117 341374194 /nfs/dbraw/zinc/37/41/94/341374194.db2.gz HGSBTPAIVOTIPE-GBIKHYSHSA-N 0 0 316.228 3.638 10 0 DHAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248472418 341378551 /nfs/dbraw/zinc/37/85/51/341378551.db2.gz JTQRLOFIDGYFQZ-FDYHWXHSSA-N 0 0 306.372 3.938 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[C@H]2CCCCO2)cc1 ZINC000248551560 341379790 /nfs/dbraw/zinc/37/97/90/341379790.db2.gz KPWJPWKORZDXJW-QYZOEREBSA-N 0 0 315.457 3.989 10 0 DHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248705989 341384695 /nfs/dbraw/zinc/38/46/95/341384695.db2.gz HFIMTTCUFZNMMP-OSBBLCOHSA-N 0 0 301.430 3.595 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000248830894 341388093 /nfs/dbraw/zinc/38/80/93/341388093.db2.gz IEGIISRJMPQQIM-XZJROXQQSA-N 0 0 307.821 3.722 10 0 DHAERN CC[C@]1(CO)CCCN1C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000249177360 341394928 /nfs/dbraw/zinc/39/49/28/341394928.db2.gz MIPMQEGWEOKXNY-CMKODMSKSA-N 0 0 315.457 3.677 10 0 DHAERN CC(C)c1ccccc1NC(=O)CN1CCCc2c(N)cccc21 ZINC000261902649 341509104 /nfs/dbraw/zinc/50/91/04/341509104.db2.gz PDFUZXYQLOTOER-UHFFFAOYSA-N 0 0 323.440 3.784 10 0 DHAERN CSc1ccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)o1 ZINC000153225671 341530684 /nfs/dbraw/zinc/53/06/84/341530684.db2.gz NTPHIWMCDWQUNV-ZDUSSCGKSA-N 0 0 305.374 3.948 10 0 DHAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000154065211 341584039 /nfs/dbraw/zinc/58/40/39/341584039.db2.gz JYXXETXPFXWPKL-HZPDHXFCSA-N 0 0 308.853 3.853 10 0 DHAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2ccc(C)o2)C1(C)C ZINC000154356670 341588432 /nfs/dbraw/zinc/58/84/32/341588432.db2.gz XDACGAPEADWSGE-ARFHVFGLSA-N 0 0 317.429 3.893 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N[C@H]1C[C@@H]1C ZINC000157411984 341637781 /nfs/dbraw/zinc/63/77/81/341637781.db2.gz KTWPOVWBVODZRR-ZQIUZPCESA-N 0 0 301.434 3.904 10 0 DHAERN CC(C)n1cc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000163613555 341700011 /nfs/dbraw/zinc/70/00/11/341700011.db2.gz FCLVASPZUHVMDW-CQSZACIVSA-N 0 0 322.453 3.523 10 0 DHAERN O=C(NCc1cccc2ccccc21)N[C@@H]1COc2ccccc21 ZINC000171208730 341773874 /nfs/dbraw/zinc/77/38/74/341773874.db2.gz DIVQOKYHLXBXQF-GOSISDBHSA-N 0 0 318.376 3.773 10 0 DHAERN COCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000171208111 341773886 /nfs/dbraw/zinc/77/38/86/341773886.db2.gz IVOMSUNEXAFUIQ-NXEZZACHSA-N 0 0 319.232 3.779 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1cc2ccccc2s1 ZINC000171546456 341779848 /nfs/dbraw/zinc/77/98/48/341779848.db2.gz PXAOPUZRAVOUJT-OBJOEFQTSA-N 0 0 318.442 3.829 10 0 DHAERN CC[C@H](C)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178218318 341949528 /nfs/dbraw/zinc/94/95/28/341949528.db2.gz VRMKSMTVAPGMPC-AAEUAGOBSA-N 0 0 302.340 3.600 10 0 DHAERN Cc1nn(C)c(Cl)c1CN[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000153059385 518193634 /nfs/dbraw/zinc/19/36/34/518193634.db2.gz YQQKIAOMIFUDJD-CQSZACIVSA-N 0 0 319.836 3.774 10 0 DHAERN Nc1ccc2ncnc(Nc3ccc(OC(F)(F)F)cc3)c2c1 ZINC000038278050 518197979 /nfs/dbraw/zinc/19/79/79/518197979.db2.gz OTCCGKFMEHWSNT-UHFFFAOYSA-N 0 0 320.274 3.854 10 0 DHAERN FC(F)(F)COc1ncc(Br)c2ccccc21 ZINC000299890434 534393529 /nfs/dbraw/zinc/39/35/29/534393529.db2.gz ZPDHGQNPHIVDLS-UHFFFAOYSA-N 0 0 306.081 3.938 10 0 DHAERN CC(C)COc1ccc([C@H](C)NCc2noc(C3CC3)n2)cc1 ZINC000181390806 519763735 /nfs/dbraw/zinc/76/37/35/519763735.db2.gz OYFSUALQWGOGMN-ZDUSSCGKSA-N 0 0 315.417 3.833 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000124585873 519792106 /nfs/dbraw/zinc/79/21/06/519792106.db2.gz NISLGUZWIMDTDJ-CXAGYDPISA-N 0 0 315.392 3.654 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NC2(C)CCOCC2)cc1 ZINC000130516116 519840276 /nfs/dbraw/zinc/84/02/76/519840276.db2.gz LGJAXBMTUNCIJJ-SJORKVTESA-N 0 0 301.430 3.599 10 0 DHAERN CCCOc1ccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1 ZINC000181256747 520427540 /nfs/dbraw/zinc/42/75/40/520427540.db2.gz LWDYACHNHIUQHS-SUMWQHHRSA-N 0 0 314.433 3.561 10 0 DHAERN CCN(CC)C(=O)C(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC000171274062 520438920 /nfs/dbraw/zinc/43/89/20/520438920.db2.gz ZGUNQZAESSBIEN-UHFFFAOYSA-N 0 0 322.474 3.693 10 0 DHAERN CCCCS[C@H](C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000105849811 520968865 /nfs/dbraw/zinc/96/88/65/520968865.db2.gz BYKYCKWLYXUQGB-HUUCEWRRSA-N 0 0 323.506 3.622 10 0 DHAERN CCOC(=O)c1ccc(CN2CCCC[C@@H]2c2nccs2)o1 ZINC000127726291 521475606 /nfs/dbraw/zinc/47/56/06/521475606.db2.gz JATDVOYTWJQQMH-CYBMUJFWSA-N 0 0 320.414 3.640 10 0 DHAERN CCCn1c(C)nnc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180746622 521625399 /nfs/dbraw/zinc/62/53/99/521625399.db2.gz UQCNCMNAEWGSDD-SNVBAGLBSA-N 0 0 310.804 3.640 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000131860577 521639338 /nfs/dbraw/zinc/63/93/38/521639338.db2.gz MTMPDBVLAVKZQX-KRWDZBQOSA-N 0 0 323.444 3.517 10 0 DHAERN COc1c(C)cnc(CN2CCCC[C@H]2c2nccs2)c1C ZINC000171235288 521808153 /nfs/dbraw/zinc/80/81/53/521808153.db2.gz FOIGMIXVEXNPKJ-HNNXBMFYSA-N 0 0 317.458 3.891 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)n1 ZINC000113204864 522111470 /nfs/dbraw/zinc/11/14/70/522111470.db2.gz KMVBABQENXGDTG-SNVBAGLBSA-N 0 0 324.833 3.972 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC=C(C)C)C2)n1 ZINC000190555445 522112985 /nfs/dbraw/zinc/11/29/85/522112985.db2.gz BKZQSDKHRUEDRZ-CYBMUJFWSA-N 0 0 307.463 3.561 10 0 DHAERN CCc1nc(C2(NCc3ccc(Cl)cc3F)CCCC2)no1 ZINC000189053890 522243284 /nfs/dbraw/zinc/24/32/84/522243284.db2.gz VYZIATYWSODFSO-UHFFFAOYSA-N 0 0 323.799 3.984 10 0 DHAERN CCc1nc(CC(=O)N2CCCC[C@H]2c2ccc(C)o2)cs1 ZINC000127568060 522252939 /nfs/dbraw/zinc/25/29/39/522252939.db2.gz UYMAMKDDLJTFAL-AWEZNQCLSA-N 0 0 318.442 3.903 10 0 DHAERN COc1cc(C)ccc1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000155827761 522259280 /nfs/dbraw/zinc/25/92/80/522259280.db2.gz MSDFJLWNGVVFMU-OAHLLOKOSA-N 0 0 314.385 3.643 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1C ZINC000153841554 522554228 /nfs/dbraw/zinc/55/42/28/522554228.db2.gz ITQZOBUFNCKHPK-GJZGRUSLSA-N 0 0 304.434 3.595 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccnc1Oc1cccc(C)c1C ZINC000103383502 522554358 /nfs/dbraw/zinc/55/43/58/522554358.db2.gz SGXKYOAJODYGMC-ZDUSSCGKSA-N 0 0 314.385 3.712 10 0 DHAERN CCc1nnc(CN[C@@H](c2cccc(C)c2)C(C)(C)C)n1C ZINC000180793860 522744986 /nfs/dbraw/zinc/74/49/86/522744986.db2.gz MMUBZUVANMAGCO-KRWDZBQOSA-N 0 0 300.450 3.563 10 0 DHAERN CC[C@H](OC(=O)CCc1ccnn1C)c1cccc(Cl)c1 ZINC000126656883 522828762 /nfs/dbraw/zinc/82/87/62/522828762.db2.gz ZKMFDWBEAOIHAY-HNNXBMFYSA-N 0 0 306.793 3.701 10 0 DHAERN COCc1cc(Cl)nc(NCc2ccc(F)cc2Cl)n1 ZINC000057343673 522927033 /nfs/dbraw/zinc/92/70/33/522927033.db2.gz FFIJJCFLFSPHOC-UHFFFAOYSA-N 0 0 316.163 3.681 10 0 DHAERN COCc1cc(Cl)nc(NCc2ccc(F)c(Cl)c2)n1 ZINC000057343654 522927097 /nfs/dbraw/zinc/92/70/97/522927097.db2.gz MRFUSOQSOCYBQW-UHFFFAOYSA-N 0 0 316.163 3.681 10 0 DHAERN CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000173342013 522973406 /nfs/dbraw/zinc/97/34/06/522973406.db2.gz MHBRTJDXBZAJKB-KGLIPLIRSA-N 0 0 321.392 3.831 10 0 DHAERN COCCC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000164246630 523056371 /nfs/dbraw/zinc/05/63/71/523056371.db2.gz LXQHJLQIISMGMK-MSOLQXFVSA-N 0 0 315.457 3.846 10 0 DHAERN CCc1sc([C@H](C)Nc2cnn(C)c(=O)c2Cl)cc1C ZINC000157787396 523079442 /nfs/dbraw/zinc/07/94/42/523079442.db2.gz RKEYFLOLQSXBNL-VIFPVBQESA-N 0 0 311.838 3.539 10 0 DHAERN COCCCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129529634 523098398 /nfs/dbraw/zinc/09/83/98/523098398.db2.gz BWDOUVUHUCPOEV-MRXNPFEDSA-N 0 0 317.429 3.756 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccccc1C)C(C)(C)C ZINC000180084249 523155899 /nfs/dbraw/zinc/15/58/99/523155899.db2.gz MHUKXNOZTXGXPW-KRWDZBQOSA-N 0 0 300.450 3.792 10 0 DHAERN COCc1noc(CN[C@H](C)c2ccc(-c3ccccc3)cc2)n1 ZINC000180234483 523265519 /nfs/dbraw/zinc/26/55/19/523265519.db2.gz NPNGFYKIJTXIBQ-CQSZACIVSA-N 0 0 323.396 3.734 10 0 DHAERN CCn1cc(C2CCN(C(=O)/C=C(\C)c3ccccc3)CC2)cn1 ZINC000172377034 523352138 /nfs/dbraw/zinc/35/21/38/523352138.db2.gz RVXZTXMAIXYQJZ-DTQAZKPQSA-N 0 0 323.440 3.713 10 0 DHAERN COCCCOc1cccc(C(=O)N[C@H](C)c2cccs2)c1 ZINC000172686385 523416758 /nfs/dbraw/zinc/41/67/58/523416758.db2.gz KVTUUQNRLFWRCT-CYBMUJFWSA-N 0 0 319.426 3.654 10 0 DHAERN CCn1cc(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)ccc1=O ZINC000129576083 523430532 /nfs/dbraw/zinc/43/05/32/523430532.db2.gz MMSKZLCNGAUZHN-ROUUACIJSA-N 0 0 324.424 3.734 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405529 523488534 /nfs/dbraw/zinc/48/85/34/523488534.db2.gz IWFVNPBKROLQAE-KBPBESRZSA-N 0 0 317.433 3.826 10 0 DHAERN CN(c1ncnc2c3ccccc3oc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000156736884 523669245 /nfs/dbraw/zinc/66/92/45/523669245.db2.gz XOTWJDDGFXFCEO-VUCTXSBTSA-N 0 0 323.396 3.626 10 0 DHAERN CCc1ccc(CNC2(c3noc(C(C)C)n3)CCCC2)o1 ZINC000131958577 523940690 /nfs/dbraw/zinc/94/06/90/523940690.db2.gz WYGKVNVQXLEKNT-UHFFFAOYSA-N 0 0 303.406 3.908 10 0 DHAERN C[C@H](CN(C)C(=O)N[C@@H](C)c1cccs1)c1nccs1 ZINC000182138067 524282564 /nfs/dbraw/zinc/28/25/64/524282564.db2.gz ZNPDENBEXHXVMQ-MNOVXSKESA-N 0 0 309.460 3.711 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)O1 ZINC000157524165 524336268 /nfs/dbraw/zinc/33/62/68/524336268.db2.gz JVHIFGSAQVABIP-ZBEGNZNMSA-N 0 0 307.365 3.653 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(N3CCCCCC3)c2)O1 ZINC000156139434 524563867 /nfs/dbraw/zinc/56/38/67/524563867.db2.gz QHMFGVGGILAGEE-PBHICJAKSA-N 0 0 302.418 3.573 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2c(F)cccc2F)C2CCCC2)O1 ZINC000152495938 524628928 /nfs/dbraw/zinc/62/89/28/524628928.db2.gz XXLOGBDXVUNUCB-SJKOYZFVSA-N 0 0 323.383 3.804 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000157099529 524706654 /nfs/dbraw/zinc/70/66/54/524706654.db2.gz BCYRLYLTUFMDLA-SUMWQHHRSA-N 0 0 322.836 3.807 10 0 DHAERN Cc1cccc([C@@H](C)OC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 ZINC000172430468 524830764 /nfs/dbraw/zinc/83/07/64/524830764.db2.gz IINKQWPVAKGPEJ-DYVFJYSZSA-N 0 0 310.349 3.901 10 0 DHAERN Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180597749 524860413 /nfs/dbraw/zinc/86/04/13/524860413.db2.gz ICWFNNRBGKLDIV-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000191569357 525016595 /nfs/dbraw/zinc/01/65/95/525016595.db2.gz PCNKKXODNBXDKU-BXUZGUMPSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000188982774 525018772 /nfs/dbraw/zinc/01/87/72/525018772.db2.gz KHMSIBQDCXCBJH-DGCLKSJQSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@@H](NC(=O)/C=C/c1ccncn1)c1ccc(C(C)(C)C)cc1 ZINC000182567128 525038030 /nfs/dbraw/zinc/03/80/30/525038030.db2.gz YKHXECNQVXCXCB-ATWMFIQVSA-N 0 0 309.413 3.665 10 0 DHAERN C[C@H](NC(=O)N[C@@H](CCCO)c1ccccc1)c1cccs1 ZINC000172593428 525087842 /nfs/dbraw/zinc/08/78/42/525087842.db2.gz RTPWSLCTISEFKF-ZFWWWQNUSA-N 0 0 318.442 3.622 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2cnc(Cl)cc2C)cc1 ZINC000135938274 525120663 /nfs/dbraw/zinc/12/06/63/525120663.db2.gz NXKKPOIEDNDYON-LLVKDONJSA-N 0 0 304.777 3.794 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)NCc1ccc(Cl)cn1 ZINC000181098988 525410695 /nfs/dbraw/zinc/41/06/95/525410695.db2.gz WZZRXZFLFSOWQX-LBPRGKRZSA-N 0 0 303.793 3.604 10 0 DHAERN CSCCCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188262447 525424884 /nfs/dbraw/zinc/42/48/84/525424884.db2.gz YEBSNUVBYAYQEO-OLZOCXBDSA-N 0 0 313.413 3.718 10 0 DHAERN Cc1c(Br)cccc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000191049696 525529642 /nfs/dbraw/zinc/52/96/42/525529642.db2.gz TXGGKGLITGVMEF-QWRGUYRKSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000189958526 525557157 /nfs/dbraw/zinc/55/71/57/525557157.db2.gz ZLEFHUJYLQKJJE-BBRMVZONSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1csc2ccccc12 ZINC000188743485 525557736 /nfs/dbraw/zinc/55/77/36/525557736.db2.gz LHOSTLMNKSSHSR-GXTWGEPZSA-N 0 0 303.427 3.675 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000188649070 525558744 /nfs/dbraw/zinc/55/87/44/525558744.db2.gz HXBVOYIXVKVMJE-GXFFZTMASA-N 0 0 308.809 3.668 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)c2ncc(C)s2)o1 ZINC000183001471 525705291 /nfs/dbraw/zinc/70/52/91/525705291.db2.gz APWFPGJSLPUCIY-BXKDBHETSA-N 0 0 307.419 3.517 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2[C@H](C)C2CC2)o1 ZINC000156369470 525709663 /nfs/dbraw/zinc/70/96/63/525709663.db2.gz UTRZTNSJVAHMAH-VXGBXAGGSA-N 0 0 302.378 3.638 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc([C@@H](C)OCC(C)C)no2)o1 ZINC000182578842 525737819 /nfs/dbraw/zinc/73/78/19/525737819.db2.gz PBIFKIGXKLNVEV-CHWSQXEVSA-N 0 0 307.394 3.555 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccncc2F)o1 ZINC000120522209 525799335 /nfs/dbraw/zinc/79/93/35/525799335.db2.gz ARJKLTMGUNUUGT-AWEZNQCLSA-N 0 0 303.337 3.881 10 0 DHAERN CS[C@H](C)CC(=O)N[C@@H](C)c1ccccc1Br ZINC000155684880 525865900 /nfs/dbraw/zinc/86/59/00/525865900.db2.gz DMOOKGMWPSUOGA-ZJUUUORDSA-N 0 0 316.264 3.768 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccnc2)C(C)C)o1 ZINC000175363344 525899407 /nfs/dbraw/zinc/89/94/07/525899407.db2.gz LQZGXGISHPKVMR-GOEBONIOSA-N 0 0 315.417 3.783 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(F)(F)F)nc2)o1 ZINC000131522729 525904467 /nfs/dbraw/zinc/90/44/67/525904467.db2.gz XQEMHBDHRCMJFM-VIFPVBQESA-N 0 0 313.279 3.885 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)c2nc(Cc3ccccc3)no2)o1 ZINC000182599052 525935516 /nfs/dbraw/zinc/93/55/16/525935516.db2.gz RKDPNGOMOSYZNK-KBPBESRZSA-N 0 0 311.385 3.974 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2[nH]nc3ccccc32)o1 ZINC000129224222 525991086 /nfs/dbraw/zinc/99/10/86/525991086.db2.gz FLNNTNICYDOCJI-QGZVFWFLSA-N 0 0 323.396 3.761 10 0 DHAERN Cc1cnc(CN2C[C@@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468275 526026622 /nfs/dbraw/zinc/02/66/22/526026622.db2.gz RIWGDFZCTAAJBG-HNNXBMFYSA-N 0 0 302.443 3.804 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000130826793 526048613 /nfs/dbraw/zinc/04/86/13/526048613.db2.gz FAUPBOVPFAEZIM-GFCCVEGCSA-N 0 0 319.836 3.563 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cccnc1Cl)[C@@H](C)C2 ZINC000181243449 526189609 /nfs/dbraw/zinc/18/96/09/526189609.db2.gz HFISWLWHTZMELV-NHYWBVRUSA-N 0 0 300.789 3.707 10 0 DHAERN Cc1cnccc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000188924561 526233169 /nfs/dbraw/zinc/23/31/69/526233169.db2.gz KHJRJBULGLKSBO-RTBURBONSA-N 0 0 308.425 3.933 10 0 DHAERN Cc1coc(S[C@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)n1 ZINC000188450116 526291554 /nfs/dbraw/zinc/29/15/54/526291554.db2.gz GHQQORFHUOBCRJ-ZFWWWQNUSA-N 0 0 318.442 3.977 10 0 DHAERN O=C(C1CCCCCC1)N1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000154100464 526301699 /nfs/dbraw/zinc/30/16/99/526301699.db2.gz ZBSABEOBBBLMLU-HOTGVXAUSA-N 0 0 305.418 3.665 10 0 DHAERN Cc1csc2nc(C)nc(N3CCCC[C@@H]3c3cn[nH]c3)c12 ZINC000126402029 526452015 /nfs/dbraw/zinc/45/20/15/526452015.db2.gz DMQCMTWFKFUSQM-CYBMUJFWSA-N 0 0 313.430 3.763 10 0 DHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182360335 526518908 /nfs/dbraw/zinc/51/89/08/526518908.db2.gz VCDVXGOKDWSEPB-DTWKUNHWSA-N 0 0 323.799 3.800 10 0 DHAERN O=C(c1ccc(Cl)c(Br)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000337981170 526671561 /nfs/dbraw/zinc/67/15/61/526671561.db2.gz SYQSDGHFCPZQLH-CABZTGNLSA-N 0 0 314.610 3.727 10 0 DHAERN O=C(c1ccccc1Cl)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000154340296 526802683 /nfs/dbraw/zinc/80/26/83/526802683.db2.gz GXXNNFUTYPDZIJ-SWLSCSKDSA-N 0 0 319.788 3.661 10 0 DHAERN Cn1c(CNc2cc(Cl)c(F)c(Cl)c2)nnc1C1CC1 ZINC000191701865 527062454 /nfs/dbraw/zinc/06/24/54/527062454.db2.gz HJFHRSOAGYVFQZ-UHFFFAOYSA-N 0 0 315.179 3.751 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc3ccccc3c2)cn1 ZINC000171506905 527297301 /nfs/dbraw/zinc/29/73/01/527297301.db2.gz MWYZZUKIKMKNQI-SFHVURJKSA-N 0 0 320.396 3.942 10 0 DHAERN O=C(Nc1cccc2[nH]ccc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000184734815 527376722 /nfs/dbraw/zinc/37/67/22/527376722.db2.gz DBQFGPRFAYRPNG-INIZCTEOSA-N 0 0 309.373 3.650 10 0 DHAERN Cc1nn(-c2ccccc2)c(C)c1NCc1nccn1C(C)C ZINC000189018859 527546455 /nfs/dbraw/zinc/54/64/55/527546455.db2.gz RHANELUFVKFOFJ-UHFFFAOYSA-N 0 0 309.417 3.879 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(F)c(F)c1 ZINC000106209974 527660163 /nfs/dbraw/zinc/66/01/63/527660163.db2.gz LYQRZULXPIVVPQ-INIZCTEOSA-N 0 0 305.372 3.652 10 0 DHAERN FC(F)(F)c1csc(CN2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000157386958 527689588 /nfs/dbraw/zinc/68/95/88/527689588.db2.gz ISGABYTUFYKGDK-SNVBAGLBSA-N 0 0 316.352 3.612 10 0 DHAERN CCC(C(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F ZINC000003124614 563322372 /nfs/dbraw/zinc/32/23/72/563322372.db2.gz KKVRDYAUHBKEOV-UHFFFAOYSA-N 0 0 305.262 3.956 10 0 DHAERN C[C@@H]1CCC[C@H](OCc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000521393861 563412251 /nfs/dbraw/zinc/41/22/51/563412251.db2.gz FWIKCVIYLBZOTR-YPMHNXCESA-N 0 0 316.357 3.561 10 0 DHAERN C[C@@H]1CN(c2cc(C(F)(F)F)nc3ccccc32)C[C@@H](C)O1 ZINC000026134638 563425277 /nfs/dbraw/zinc/42/52/77/563425277.db2.gz VLCKBWLASSYZRO-GHMZBOCLSA-N 0 0 310.319 3.867 10 0 DHAERN C[C@@H](c1cccs1)N(C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675584 563488926 /nfs/dbraw/zinc/48/89/26/563488926.db2.gz LRFQHDODZWQOKP-ZDUSSCGKSA-N 0 0 310.426 3.793 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 ZINC000071790569 563501364 /nfs/dbraw/zinc/50/13/64/563501364.db2.gz CBAWPZYNMQBHJS-AWEZNQCLSA-N 0 0 303.402 3.597 10 0 DHAERN O=C([O-])c1c(-c2ccc(Cl)cc2)coc1C1CC[NH2+]CC1 ZINC000725246637 563526296 /nfs/dbraw/zinc/52/62/96/563526296.db2.gz RCKGUFZJMWAUOO-UHFFFAOYSA-N 0 0 305.761 3.765 10 0 DHAERN CCn1cc(C(F)F)c(-c2cncc(Br)c2C)n1 ZINC000725269582 563575262 /nfs/dbraw/zinc/57/52/62/563575262.db2.gz AMGMHVXNBOAVOM-UHFFFAOYSA-N 0 0 316.149 3.974 10 0 DHAERN CCn1cc(C(F)F)c(-c2ccc(Br)nc2)n1 ZINC000725270940 563576052 /nfs/dbraw/zinc/57/60/52/563576052.db2.gz UVEBFVNBVSWUGS-UHFFFAOYSA-N 0 0 302.122 3.665 10 0 DHAERN COC(=O)c1cc(Br)c(-c2ccc(F)o2)s1 ZINC000669376689 563868958 /nfs/dbraw/zinc/86/89/58/563868958.db2.gz IDVKODJBSKUWEX-UHFFFAOYSA-N 0 0 305.124 3.696 10 0 DHAERN CC(C)c1[nH]nc(I)c1-c1ccccc1 ZINC000675075571 563911049 /nfs/dbraw/zinc/91/10/49/563911049.db2.gz BCOIOERDMWECOE-UHFFFAOYSA-N 0 0 312.154 3.805 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000226284949 563913741 /nfs/dbraw/zinc/91/37/41/563913741.db2.gz IEBKKHDPMGLIDX-UHFFFAOYSA-N 0 0 300.324 3.592 10 0 DHAERN Cc1cc(C(=O)N(C)C[C@H]2CCCc3sc(C)nc32)c(C)o1 ZINC000328636527 563929985 /nfs/dbraw/zinc/92/99/85/563929985.db2.gz VNIYKHYXDPYFFL-CYBMUJFWSA-N 0 0 318.442 3.853 10 0 DHAERN C[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)OC[C@]4(C)[C@H]3CC[C@]21C ZINC000002509499 563938219 /nfs/dbraw/zinc/93/82/19/563938219.db2.gz QSLJIVKCVHQPLV-UUZKEEIJSA-N 0 0 306.446 3.543 10 0 DHAERN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722135614 955193967 /nfs/dbraw/zinc/19/39/67/955193967.db2.gz MVDJOFDGZGXYBT-CMPLNLGQSA-N 0 0 316.228 3.579 10 0 DHAERN COc1ccc(C(=O)[O-])cc1C[N@H+](C)[C@@H](C)c1cccs1 ZINC000131833594 958755891 /nfs/dbraw/zinc/75/58/91/958755891.db2.gz CZOUEKUIOKZBHR-NSHDSACASA-N 0 0 305.399 3.648 10 0 DHAERN C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])c1ccccc1Br ZINC000395569320 972805411 /nfs/dbraw/zinc/80/54/11/972805411.db2.gz JOOJSGGNQSJXHP-SNVBAGLBSA-N 0 0 314.223 3.601 10 0 DHAERN CC(C)Oc1cccc(C[N@H+](CC(=O)[O-])Cc2ccccc2)c1 ZINC000692427156 976466280 /nfs/dbraw/zinc/46/62/80/976466280.db2.gz RQMDCFYDZWWGFJ-UHFFFAOYSA-N 0 0 313.397 3.561 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@@H]1c1ccncc1 ZINC000091095698 1032434274 /nfs/dbraw/zinc/43/42/74/1032434274.db2.gz WUZOOEWRDDSWMR-RTBURBONSA-N 0 0 324.424 3.649 10 0 DHAERN COc1ccc(CN2CC=C(c3cccs3)CC2)cc1O ZINC000093533758 1032543199 /nfs/dbraw/zinc/54/31/99/1032543199.db2.gz XTLUYUKYQOPJRV-UHFFFAOYSA-N 0 0 301.411 3.752 10 0 DHAERN CC(C)CCNC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000072575750 1020075912 /nfs/dbraw/zinc/07/59/12/1020075912.db2.gz MSKIAWMFBHQFPR-UHFFFAOYSA-N 0 0 306.406 3.654 10 0 DHAERN Cc1cc(C)n(CC2CCN(C(=O)CC3CCCCC3)CC2)n1 ZINC000062130817 1025936918 /nfs/dbraw/zinc/93/69/18/1025936918.db2.gz BODYRMAYWLVLDB-UHFFFAOYSA-N 0 0 317.477 3.709 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000080060326 1031276383 /nfs/dbraw/zinc/27/63/83/1031276383.db2.gz ZCZQICFEERMWFH-HZPDHXFCSA-N 0 0 315.413 3.557 10 0 DHAERN OCCc1ccc(OCc2ccccc2)cc1Br ZINC000095616851 185382550 /nfs/dbraw/zinc/38/25/50/185382550.db2.gz ZXJMNQPPKSUZDG-UHFFFAOYSA-N 0 0 307.187 3.563 10 0 DHAERN CC(C)(C)c1cc(OC2CC2)c(I)cn1 ZINC000095722268 185383448 /nfs/dbraw/zinc/38/34/48/185383448.db2.gz MRBKTTMIBLVORE-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)(C)c1nccc(OC2CC2)c1I ZINC000095725147 185383467 /nfs/dbraw/zinc/38/34/67/185383467.db2.gz JQZIUNFWLGRZPF-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN COc1ccc2nc(-c3cccc(Br)c3)cn2c1 ZINC000095803075 185384027 /nfs/dbraw/zinc/38/40/27/185384027.db2.gz ZEZYJARKXHWNED-UHFFFAOYSA-N 0 0 303.159 3.772 10 0 DHAERN CCc1cnc(CN(C)C(=O)N[C@@H](C)c2ccc(C)o2)s1 ZINC000083184428 185216870 /nfs/dbraw/zinc/21/68/70/185216870.db2.gz XHQPFZVSROOVSU-NSHDSACASA-N 0 0 307.419 3.510 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccc(F)cc1F ZINC000088559883 185257890 /nfs/dbraw/zinc/25/78/90/185257890.db2.gz ULHZXOISYVPCBR-HUUCEWRRSA-N 0 0 320.387 3.695 10 0 DHAERN CC[C@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224667 185287374 /nfs/dbraw/zinc/28/73/74/185287374.db2.gz VYJVRGVISUNRHE-WDEREUQCSA-N 0 0 310.854 3.877 10 0 DHAERN COc1cc2ncnc(Nc3cccc(Cl)c3)c2cc1O ZINC000090529500 185300586 /nfs/dbraw/zinc/30/05/86/185300586.db2.gz KJERUNBRZXIGDV-UHFFFAOYSA-N 0 0 301.733 3.741 10 0 DHAERN Cc1ccc(I)c(O[C@@H]2CCCCO2)c1 ZINC000090377493 185293380 /nfs/dbraw/zinc/29/33/80/185293380.db2.gz IBVCSHGPVKVQBS-GFCCVEGCSA-N 0 0 318.154 3.505 10 0 DHAERN CCc1c(-c2nc3ccccc3s2)nc2ccccn2c1=O ZINC000090415320 185295101 /nfs/dbraw/zinc/29/51/01/185295101.db2.gz ATIGGNYPHSRFCJ-UHFFFAOYSA-N 0 0 307.378 3.534 10 0 DHAERN O=C1CS[C@@H](c2cccc(F)c2)N1Cc1cccc(F)c1 ZINC000090558588 185303211 /nfs/dbraw/zinc/30/32/11/185303211.db2.gz CLZDWKJFDYOHGT-INIZCTEOSA-N 0 0 305.349 3.739 10 0 DHAERN O=C(Nc1ccc2[nH]c(-c3cn[nH]c3)cc2c1)c1ccccc1 ZINC000090624314 185307299 /nfs/dbraw/zinc/30/72/99/185307299.db2.gz WJRYIAHOPJZFMB-UHFFFAOYSA-N 0 0 302.337 3.810 10 0 DHAERN Cc1csc([C@H]2CN(Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790363 185341557 /nfs/dbraw/zinc/34/15/57/185341557.db2.gz QCQZGQUUBDLONN-MRXNPFEDSA-N 0 0 313.426 3.506 10 0 DHAERN COc1ccc(/C=C/c2cc(=O)c3ccccc3o2)cc1OC ZINC000103176363 185436834 /nfs/dbraw/zinc/43/68/34/185436834.db2.gz DLGKFWXMKAOKRL-VQHVLOKHSA-N 0 0 308.333 3.981 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000103388629 185449351 /nfs/dbraw/zinc/44/93/51/185449351.db2.gz XUSIHHYVADLIPG-ZDUSSCGKSA-N 0 0 316.426 3.595 10 0 DHAERN CCc1cc(N)ccc1NC(=O)c1ccccc1Br ZINC000226318031 201775014 /nfs/dbraw/zinc/77/50/14/201775014.db2.gz VNTIYTZLRDFBEF-UHFFFAOYSA-N 0 0 319.202 3.846 10 0 DHAERN Cc1cc(NC(=O)c2ccc(F)cc2)cc2sc(N)nc21 ZINC000226310396 201775484 /nfs/dbraw/zinc/77/54/84/201775484.db2.gz VAQCWRXBCYMOJL-UHFFFAOYSA-N 0 0 301.346 3.578 10 0 DHAERN Nc1ccc(NC(=O)/C=C/c2cccs2)c(Br)c1 ZINC000227158015 201795486 /nfs/dbraw/zinc/79/54/86/201795486.db2.gz KSHJGXGBYNRELO-GQCTYLIASA-N 0 0 323.215 3.745 10 0 DHAERN O=C(Cc1ccc(I)cc1)c1ccccc1 ZINC000083850502 192386436 /nfs/dbraw/zinc/38/64/36/192386436.db2.gz XODGITIOFKTVSS-UHFFFAOYSA-N 0 0 322.145 3.717 10 0 DHAERN Fc1cccc(CNc2nccc(CCC(F)(F)F)n2)c1F ZINC000071759160 191025575 /nfs/dbraw/zinc/02/55/75/191025575.db2.gz HFFBHNLBMHEWHM-UHFFFAOYSA-N 0 0 317.261 3.862 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1OCC(F)F ZINC000072085746 191035970 /nfs/dbraw/zinc/03/59/70/191035970.db2.gz SGFVSUSPJRGPHU-NSHDSACASA-N 0 0 300.349 3.805 10 0 DHAERN COC(=O)c1cc(Br)cc2c1cnn2C1CCCC1 ZINC000139850197 186024704 /nfs/dbraw/zinc/02/47/04/186024704.db2.gz WDIOILXQEARMBV-UHFFFAOYSA-N 0 0 323.190 3.701 10 0 DHAERN CCN(CC)c1c(Br)cc(N)cc1Br ZINC000143055853 186033403 /nfs/dbraw/zinc/03/34/03/186033403.db2.gz FAUXAHWKLYNASQ-UHFFFAOYSA-N 0 0 322.044 3.640 10 0 DHAERN FC(F)(F)c1cc(-c2ccc(Br)cc2)ncn1 ZINC000144585718 186035614 /nfs/dbraw/zinc/03/56/14/186035614.db2.gz KGWASVADIIBECN-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN Brc1ccc(-c2ccnc(N3CCCCC3)n2)cc1 ZINC000072443338 191166897 /nfs/dbraw/zinc/16/68/97/191166897.db2.gz RROGCBYWUBPOOI-UHFFFAOYSA-N 0 0 318.218 3.896 10 0 DHAERN Cc1cc(C(=O)Nc2ccccc2)nn1Cc1ccc(C)cc1 ZINC000000127951 180701851 /nfs/dbraw/zinc/70/18/51/180701851.db2.gz LZJGYBXAEYQFAI-UHFFFAOYSA-N 0 0 305.381 3.801 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)Nc2cnn(CC(F)F)c2)cc1 ZINC000072546546 191189495 /nfs/dbraw/zinc/18/94/95/191189495.db2.gz GKCRAHKUXMOIHC-LLVKDONJSA-N 0 0 322.359 3.593 10 0 DHAERN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)[C@H]1CCCO1 ZINC000000367890 180768474 /nfs/dbraw/zinc/76/84/74/180768474.db2.gz XTENBFNHDUXXOC-MRXNPFEDSA-N 0 0 308.337 3.612 10 0 DHAERN COc1ccc([C@@H]2Cc3cc(OC)c(OC)c(OC)c3C2)cc1 ZINC000001626206 180881122 /nfs/dbraw/zinc/88/11/22/180881122.db2.gz TWOIUJOADBRPFH-CYBMUJFWSA-N 0 0 314.381 3.603 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C)s2)cc1 ZINC000001945883 180903325 /nfs/dbraw/zinc/90/33/25/180903325.db2.gz TZHZBHYJAJNSQX-JXMROGBWSA-N 0 0 302.399 3.811 10 0 DHAERN O=C([O-])C1=CC[C@H](CCC(c2ccccc2)c2ccccc2)[NH2+]C1 ZINC000003645752 181043700 /nfs/dbraw/zinc/04/37/00/181043700.db2.gz GTZKFZYHYBKSGJ-LJQANCHMSA-N 0 0 321.420 3.972 10 0 DHAERN Fc1ccc2ncnc(Nc3cccc(Br)c3)c2n1 ZINC000003815242 181047271 /nfs/dbraw/zinc/04/72/71/181047271.db2.gz IEMOICPYMPGBAD-UHFFFAOYSA-N 0 0 319.137 3.670 10 0 DHAERN CCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 ZINC000003912435 181057436 /nfs/dbraw/zinc/05/74/36/181057436.db2.gz ZSLRPROQILTXPL-UHFFFAOYSA-N 0 0 307.806 3.621 10 0 aggregator DHAERN CCOc1ccc(-c2nnc3ccc(SC(C)C)nn32)cc1 ZINC000004165034 181080183 /nfs/dbraw/zinc/08/01/83/181080183.db2.gz BMCAHEMDXCSLHF-UHFFFAOYSA-N 0 0 314.414 3.691 10 0 DHAERN Cc1cc(NCCc2ccccc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226430 181086127 /nfs/dbraw/zinc/08/61/27/181086127.db2.gz YMALWLGZCYDPKF-UHFFFAOYSA-N 0 0 306.365 3.896 10 0 DHAERN Cc1cc(NCCc2ccccc2)c2cccc(C(=O)[O-])c2[nH+]1 ZINC000004226585 181086197 /nfs/dbraw/zinc/08/61/97/181086197.db2.gz LEURRNRUZMBJME-UHFFFAOYSA-N 0 0 306.365 3.896 10 0 DHAERN Cc1sc2[nH]c(SCCc3ccccc3)nc(=O)c2c1C ZINC000005237741 181219686 /nfs/dbraw/zinc/21/96/86/181219686.db2.gz FOXPKGMBBFQYRS-UHFFFAOYSA-N 0 0 316.451 3.936 10 0 DHAERN Cc1cc([C@H](CCC(C)C)n2nnc3ccccc32)cnc1N ZINC000005379302 181236465 /nfs/dbraw/zinc/23/64/65/181236465.db2.gz WDJBYOWRWTYKEO-INIZCTEOSA-N 0 0 309.417 3.743 10 0 DHAERN CC(C)CCOC(=O)c1ccc(NC(=O)c2ccco2)cc1 ZINC000005727065 181276800 /nfs/dbraw/zinc/27/68/00/181276800.db2.gz HUTILIGICMVHEQ-UHFFFAOYSA-N 0 0 301.342 3.735 10 0 DHAERN O=C(N[C@@H](c1ccccc1)[C@@H]1CCCCC1=O)c1ccccc1 ZINC000005774875 181282960 /nfs/dbraw/zinc/28/29/60/181282960.db2.gz QNLJSFZVIUCHQK-MJGOQNOKSA-N 0 0 307.393 3.917 10 0 DHAERN CC[C@H](C)Oc1cc(=O)[nH]c(Sc2cccc(Cl)c2)n1 ZINC000005885366 181292769 /nfs/dbraw/zinc/29/27/69/181292769.db2.gz KHMJZVOYEGSHAZ-VIFPVBQESA-N 0 0 310.806 3.752 10 0 DHAERN CCOC(=O)C=C(Nc1ccc(Cl)cc1N)c1ccccc1 ZINC000005952683 181299823 /nfs/dbraw/zinc/29/98/23/181299823.db2.gz AJPVKYWIDNLHSN-LFIBNONCSA-N 0 0 316.788 3.938 10 0 DHAERN C[C@@]12CCc3occc3[C@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000006032334 181306772 /nfs/dbraw/zinc/30/67/72/181306772.db2.gz DNJVYWXIDISQRD-DJVYLFJOSA-N 0 0 316.441 3.639 10 0 DHAERN CC[C@H](C)N([C@@H](C)CC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006120357 181314162 /nfs/dbraw/zinc/31/41/62/181314162.db2.gz YNCHEZYRCKFSJJ-RYUDHWBXSA-N 0 0 303.855 3.928 10 0 DHAERN CC(=O)Oc1ccccc1C(=O)N1c2ccccc2CC[C@@H]1C ZINC000196122177 201423307 /nfs/dbraw/zinc/42/33/07/201423307.db2.gz CWPKAKGFNMVUJR-ZDUSSCGKSA-N 0 0 309.365 3.593 10 0 DHAERN CCc1nnc(CSCc2ccc(C(F)(F)F)cc2)n1C ZINC000091027542 192971484 /nfs/dbraw/zinc/97/14/84/192971484.db2.gz LTLQWKAZQZYWNQ-UHFFFAOYSA-N 0 0 315.364 3.830 10 0 DHAERN COc1c(CNc2ccccc2OC(C)(C)C)c(C)nn1C ZINC000092170785 193170326 /nfs/dbraw/zinc/17/03/26/193170326.db2.gz PXROVTCUIUEUNK-UHFFFAOYSA-N 0 0 303.406 3.527 10 0 DHAERN CCCCCCOc1ccc(NC(=O)/C=C/C(=O)OCC)cc1 ZINC000007649497 181482894 /nfs/dbraw/zinc/48/28/94/181482894.db2.gz ZKFWMPWQSGGCOV-OUKQBFOZSA-N 0 0 319.401 3.704 10 0 DHAERN CCOc1cccc(NC(=S)NC(=O)c2ccccc2C)c1 ZINC000009697101 181636487 /nfs/dbraw/zinc/63/64/87/181636487.db2.gz ZAALHCHINYRWMN-UHFFFAOYSA-N 0 0 314.410 3.521 10 0 DHAERN Cc1nn(C(=O)c2ccc(C)c(Br)c2)c(C)c1C ZINC000010155590 181659265 /nfs/dbraw/zinc/65/92/65/181659265.db2.gz YGLCHFDAQOJGIO-UHFFFAOYSA-N 0 0 307.191 3.568 10 0 DHAERN COc1ccccc1/C=C/C(=O)Nc1cccc2cccnc21 ZINC000014517740 181956700 /nfs/dbraw/zinc/95/67/00/181956700.db2.gz MXCVLVFAFHJXPA-VAWYXSNFSA-N 0 0 304.349 3.895 10 0 DHAERN CCCCNC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000014833187 181972570 /nfs/dbraw/zinc/97/25/70/181972570.db2.gz KZROOKXANPXDJN-UHFFFAOYSA-N 0 0 310.397 3.777 10 0 DHAERN Cc1ccc(NC(=O)C[C@H](C)n2cccn2)c(Br)c1 ZINC000015733869 182014339 /nfs/dbraw/zinc/01/43/39/182014339.db2.gz SMLHKVXVWADPRC-NSHDSACASA-N 0 0 322.206 3.544 10 0 DHAERN Cc1ccc(Cl)cc1NC(=O)CSc1ccc(N)cc1 ZINC000017031462 182069000 /nfs/dbraw/zinc/06/90/00/182069000.db2.gz BYRAVIZXDLYMPW-UHFFFAOYSA-N 0 0 306.818 3.961 10 0 DHAERN COc1ccc(Br)c(-c2nc3cc(N)ccc3o2)c1 ZINC000019439190 182122888 /nfs/dbraw/zinc/12/28/88/182122888.db2.gz MXSHRFBLDVCYIL-UHFFFAOYSA-N 0 0 319.158 3.848 10 0 DHAERN Cc1cc(NC(=O)c2ccc(O)cc2)ccc1Br ZINC000019479283 182125394 /nfs/dbraw/zinc/12/53/94/182125394.db2.gz MLKUFTGOGBTHKS-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN Nc1ccc2[nH]c(-c3cc(F)ccc3Br)nc2c1 ZINC000019511113 182126662 /nfs/dbraw/zinc/12/66/62/182126662.db2.gz IXGZZHHJKBMVEN-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN Cc1ccc(NC(=O)c2ccc(F)cc2Br)cc1N ZINC000019507626 182126888 /nfs/dbraw/zinc/12/68/88/182126888.db2.gz NUPVYOPKJZTDPK-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN NC(=S)c1cccc(COc2ccc(Br)cc2)c1 ZINC000019484731 182125033 /nfs/dbraw/zinc/12/50/33/182125033.db2.gz KTNGTROJASJIJU-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Nc1ccc2c(c1)N(Cc1ccc(Br)cc1)CCC2 ZINC000019779410 182147859 /nfs/dbraw/zinc/14/78/59/182147859.db2.gz GPSIHYAQDCKLHF-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN COC(=O)c1c(C)nc(-c2cc3ccccc3o2)[nH]c1=S ZINC000019807272 182152754 /nfs/dbraw/zinc/15/27/54/182152754.db2.gz NVSNNLXGWRCXQQ-UHFFFAOYSA-N 0 0 300.339 3.647 10 0 DHAERN Nc1ccc2c(c1)CCCN2C(=O)Nc1ccc(Cl)cc1 ZINC000019988027 182174404 /nfs/dbraw/zinc/17/44/04/182174404.db2.gz RNGJATHXEZLNMJ-UHFFFAOYSA-N 0 0 301.777 3.907 10 0 DHAERN CC[C@H](C)SCC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019995638 182175571 /nfs/dbraw/zinc/17/55/71/182175571.db2.gz IOYVYXGJEXLDRZ-QMMMGPOBSA-N 0 0 306.353 3.758 10 0 DHAERN COc1cc(CNc2cc(C)c(Cl)cc2OC)ccc1O ZINC000020022214 182179965 /nfs/dbraw/zinc/17/99/65/182179965.db2.gz KQBKQFXDJDTMLU-UHFFFAOYSA-N 0 0 307.777 3.983 10 0 DHAERN Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000097680452 193746254 /nfs/dbraw/zinc/74/62/54/193746254.db2.gz LNWWHCYFWDJDSZ-SECBINFHSA-N 0 0 323.799 3.629 10 0 DHAERN CCc1cccc(OCC(=O)Nc2ccc(Cl)cc2N)c1 ZINC000020344552 182209869 /nfs/dbraw/zinc/20/98/69/182209869.db2.gz QCQXNJYHCBXLHM-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN Cc1ccc(C)c(OCC(=O)Nc2cc(N)ccc2Cl)c1 ZINC000020344473 182209922 /nfs/dbraw/zinc/20/99/22/182209922.db2.gz CAQIVDZYTQMFJD-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN Nc1cc(NC(=O)c2ccc(F)c(F)c2F)ccc1Cl ZINC000020345500 182210191 /nfs/dbraw/zinc/21/01/91/182210191.db2.gz NYFNLJZPXOYZDW-UHFFFAOYSA-N 0 0 300.667 3.592 10 0 DHAERN Cc1cnn([C@@H](C)c2cc3cc(Br)ccc3o2)c1N ZINC000020578914 182234610 /nfs/dbraw/zinc/23/46/10/182234610.db2.gz ZNMHBAZCHYGIQM-VIFPVBQESA-N 0 0 320.190 3.892 10 0 DHAERN C[C@H]1C[C@H](C)CN(C(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575418 182234984 /nfs/dbraw/zinc/23/49/84/182234984.db2.gz CEEMLDIZOYZILO-STQMWFEESA-N 0 0 307.397 3.834 10 0 DHAERN Cc1ccc(C)c(OCCN2c3ccccc3NC[C@@H](C)C2=O)c1 ZINC000021793529 182289666 /nfs/dbraw/zinc/28/96/66/182289666.db2.gz QSPQQBPVPGLQNF-MRXNPFEDSA-N 0 0 324.424 3.777 10 0 DHAERN COc1ccc2c(CC(=O)N[C@@H](C)c3ccc(C)o3)coc2c1 ZINC000021840005 182295048 /nfs/dbraw/zinc/29/50/48/182295048.db2.gz WSCLKZZUIQJSQO-LBPRGKRZSA-N 0 0 313.353 3.763 10 0 DHAERN CCS[C@@H]1CC[C@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000230923222 335028095 /nfs/dbraw/zinc/02/80/95/335028095.db2.gz WZDFRECZMZTQDC-JGVFFNPUSA-N 0 0 320.867 3.669 10 0 DHAERN COC(=O)/C=C\c1sc2nc(C)cc(C)c2c1-n1cccc1 ZINC000033336836 182705819 /nfs/dbraw/zinc/70/58/19/182705819.db2.gz HIALHTRMSVMEMZ-SREVYHEPSA-N 0 0 312.394 3.890 10 0 DHAERN O=C(c1c[nH]c2ncc(Br)cc12)c1cccc(F)c1 ZINC000036422534 182825482 /nfs/dbraw/zinc/82/54/82/182825482.db2.gz PBFOVBHCSUWFEN-UHFFFAOYSA-N 0 0 319.133 3.696 10 0 DHAERN Cc1cccc(C(=O)Nc2c(C)cc(Br)cc2N)c1 ZINC000036739036 182839210 /nfs/dbraw/zinc/83/92/10/182839210.db2.gz OVCKXRITQJITKH-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CCOC(=O)[C@@](C)(NC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000037970701 182945537 /nfs/dbraw/zinc/94/55/37/182945537.db2.gz DPHCSSUVEUFSLQ-INIZCTEOSA-N 0 0 313.800 3.790 10 0 DHAERN CCOC(=O)c1ccc(N2CCC[C@H]2C)c(Br)c1 ZINC000039951957 183023987 /nfs/dbraw/zinc/02/39/87/183023987.db2.gz MDDZJPQWMCQCAT-SNVBAGLBSA-N 0 0 312.207 3.615 10 0 DHAERN CCN(CC)C(=O)c1ccc(-c2nc3cc(N)ccc3o2)cc1 ZINC000039964919 183025787 /nfs/dbraw/zinc/02/57/87/183025787.db2.gz DZJLYIKXCVWFNX-UHFFFAOYSA-N 0 0 309.369 3.559 10 0 DHAERN O[C@@H](c1ccc(Br)s1)C(F)(F)C(F)(F)F ZINC000040265085 183049348 /nfs/dbraw/zinc/04/93/48/183049348.db2.gz ZKXNAVYCNICRAG-YFKPBYRVSA-N 0 0 311.069 3.742 10 0 DHAERN Nc1cc(C(F)(F)F)ccc1NC(=O)NC1CCCCC1 ZINC000040162447 183042249 /nfs/dbraw/zinc/04/22/49/183042249.db2.gz KMYGULUPXUIEDJ-UHFFFAOYSA-N 0 0 301.312 3.742 10 0 DHAERN CCCCn1c(CN(C)C(=O)c2ccccn2)nc2ccccc21 ZINC000040185239 183045038 /nfs/dbraw/zinc/04/50/38/183045038.db2.gz IZROZJAGEHDNJX-UHFFFAOYSA-N 0 0 322.412 3.504 10 0 DHAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1C ZINC000040210825 183045593 /nfs/dbraw/zinc/04/55/93/183045593.db2.gz DQMMKTSUJHCWLE-UHFFFAOYSA-N 0 0 308.381 3.883 10 0 DHAERN CCC(CC)C(=O)NCc1nc2ccccc2n1CC(C)C ZINC000040274987 183050465 /nfs/dbraw/zinc/05/04/65/183050465.db2.gz IYLALBQXXPYJBM-UHFFFAOYSA-N 0 0 301.434 3.745 10 0 DHAERN Cc1cccc(NC(=O)Cn2c3ccccc3nc2C2CC2)c1 ZINC000040295918 183053025 /nfs/dbraw/zinc/05/30/25/183053025.db2.gz ITLPGDRXELYXIV-UHFFFAOYSA-N 0 0 305.381 3.861 10 0 DHAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)NC(C)(C)C)c1 ZINC000040306709 183053277 /nfs/dbraw/zinc/05/32/77/183053277.db2.gz YXTJAHCSQIANIB-UHFFFAOYSA-N 0 0 321.424 3.926 10 0 DHAERN O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccco1 ZINC000040323473 183053890 /nfs/dbraw/zinc/05/38/90/183053890.db2.gz GDIYXIPSZYTSAU-UHFFFAOYSA-N 0 0 302.717 3.518 10 0 DHAERN Cc1cc(Cl)ccc1Nc1ncnc(NC(C)(C)C)c1N ZINC000040680398 183116944 /nfs/dbraw/zinc/11/69/44/183116944.db2.gz IGRPMZFOORQLQB-UHFFFAOYSA-N 0 0 305.813 3.975 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(NCc3ccco3)c2N)c1 ZINC000040681418 183117216 /nfs/dbraw/zinc/11/72/16/183117216.db2.gz UQDPRZPYSAYDEP-UHFFFAOYSA-N 0 0 310.357 3.673 10 0 DHAERN Cc1ccc2cccc(Nc3ncnc(NC(C)(C)C)c3N)c2n1 ZINC000040680541 183117421 /nfs/dbraw/zinc/11/74/21/183117421.db2.gz ZSAXRULCGIQWQX-UHFFFAOYSA-N 0 0 322.416 3.869 10 0 DHAERN Cc1cccc(Nc2ncnc(Sc3ccccc3)c2N)n1 ZINC000040685596 183117850 /nfs/dbraw/zinc/11/78/50/183117850.db2.gz XVNFFEMGNLQKPN-UHFFFAOYSA-N 0 0 309.398 3.657 10 0 DHAERN CCc1ccc(Oc2ncnc(Nc3ccccn3)c2N)cc1 ZINC000040779250 183132983 /nfs/dbraw/zinc/13/29/83/183132983.db2.gz NEAIJHWUHCNRPP-UHFFFAOYSA-N 0 0 307.357 3.552 10 0 DHAERN COc1ccccc1Nc1ncnc(Oc2ccc(C)cc2)c1N ZINC000040781555 183133295 /nfs/dbraw/zinc/13/32/95/183133295.db2.gz QHQRZQWCHDQGFW-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN COc1ccccc1Oc1ncnc(Nc2cccc(C)c2)c1N ZINC000040781729 183133317 /nfs/dbraw/zinc/13/33/17/183133317.db2.gz VNJFHOHRDBNTFS-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1NC1CCCC1 ZINC000040797667 183135194 /nfs/dbraw/zinc/13/51/94/183135194.db2.gz KWLYUDZWJDADRK-UHFFFAOYSA-N 0 0 321.787 3.949 10 0 DHAERN CNC(=O)c1ccc(N2CCc3cc4ccc(C)cc4nc32)cc1 ZINC000040802833 183135998 /nfs/dbraw/zinc/13/59/98/183135998.db2.gz REQYPXJGBMRNRA-UHFFFAOYSA-N 0 0 317.392 3.597 10 0 DHAERN Nc1c(Nc2cccc3cccnc32)ncnc1NC1CCCC1 ZINC000040758475 183129532 /nfs/dbraw/zinc/12/95/32/183129532.db2.gz KKKQOCPUYRRGKV-UHFFFAOYSA-N 0 0 320.400 3.705 10 0 DHAERN Cc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2N)c(C)c1 ZINC000040755326 183129605 /nfs/dbraw/zinc/12/96/05/183129605.db2.gz QALISYGVBWPCMM-UHFFFAOYSA-N 0 0 320.400 3.858 10 0 DHAERN CCCSc1nn2cc(-c3ccccc3OC)nc2s1 ZINC000040965212 183152361 /nfs/dbraw/zinc/15/23/61/183152361.db2.gz DGGGEHJTZNSXAZ-UHFFFAOYSA-N 0 0 305.428 3.969 10 0 DHAERN Cc1cccc(NC(=O)c2cnc3cc(Cl)ccc3c2O)c1 ZINC000041055999 183160260 /nfs/dbraw/zinc/16/02/60/183160260.db2.gz POJYNMNBWAVNMZ-UHFFFAOYSA-N 0 0 312.756 3.742 10 0 DHAERN Brc1ccc(-c2ccc(Br)nn2)cc1 ZINC000041566893 183203419 /nfs/dbraw/zinc/20/34/19/183203419.db2.gz RSILWWCHPVKEAI-UHFFFAOYSA-N 0 0 313.980 3.669 10 0 DHAERN Nc1cccc(-c2csc(Cc3ccc4c(c3)OCO4)n2)c1 ZINC000041582523 183206274 /nfs/dbraw/zinc/20/62/74/183206274.db2.gz FBLICTUKPANIDE-UHFFFAOYSA-N 0 0 310.378 3.712 10 0 DHAERN Cc1c(Br)ccc2c(N)c(Br)cnc12 ZINC000041702458 183217570 /nfs/dbraw/zinc/21/75/70/183217570.db2.gz XAGJVQIRVXHWJT-UHFFFAOYSA-N 0 0 315.996 3.650 10 0 DHAERN Brc1cccc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000042251282 183246108 /nfs/dbraw/zinc/24/61/08/183246108.db2.gz MPFJULWFPPIGOL-LSDHHAIUSA-N 0 0 310.235 3.593 10 0 DHAERN O=C1CCCc2cc([C@@H](O)c3ccccc3Cl)ccc2N1 ZINC000042268770 183248893 /nfs/dbraw/zinc/24/88/93/183248893.db2.gz JIYQHNOJEMOOFA-QGZVFWFLSA-N 0 0 301.773 3.697 10 0 DHAERN CN(Cc1cc(Br)cs1)c1ccc(CO)cc1 ZINC000042399878 183264712 /nfs/dbraw/zinc/26/47/12/183264712.db2.gz FQIQXPBNEFBCCP-UHFFFAOYSA-N 0 0 312.232 3.639 10 0 DHAERN CCCO[C@@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000042424675 183268348 /nfs/dbraw/zinc/26/83/48/183268348.db2.gz QWWBETNPVIPBCF-OAHLLOKOSA-N 0 0 312.251 3.840 10 0 DHAERN CC[C@@H](NC(=O)c1ccc(F)cc1Br)C(C)C ZINC000042550758 183283910 /nfs/dbraw/zinc/28/39/10/183283910.db2.gz WWROQIGQZAKVIO-GFCCVEGCSA-N 0 0 302.187 3.753 10 0 DHAERN Cc1sc(C(=O)N[C@@H](C)c2ccc(Cl)s2)cc1N ZINC000042584267 183288131 /nfs/dbraw/zinc/28/81/31/183288131.db2.gz HDWPLZXVEHFHLL-LURJTMIESA-N 0 0 300.836 3.845 10 0 DHAERN Nc1cccc(Br)c1CN(CC(F)(F)F)C1CC1 ZINC000042738503 183303719 /nfs/dbraw/zinc/30/37/19/183303719.db2.gz WYQGGZPAUQLTCY-UHFFFAOYSA-N 0 0 323.156 3.558 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccnc2Cl)C1 ZINC000043326228 183354864 /nfs/dbraw/zinc/35/48/64/183354864.db2.gz VOLZUQMRUYOKNG-LLVKDONJSA-N 0 0 311.813 3.546 10 0 DHAERN Cc1ccnc(Oc2ccc(I)cc2)c1 ZINC000043561355 183370801 /nfs/dbraw/zinc/37/08/01/183370801.db2.gz YNHWLECPEITKTH-UHFFFAOYSA-N 0 0 311.122 3.787 10 0 DHAERN Nc1ccc(OCc2cc(Br)cs2)c(F)c1 ZINC000043686615 183380336 /nfs/dbraw/zinc/38/03/36/183380336.db2.gz OFBQEYBPQSKLQM-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN FC(F)(F)c1ccn(Cc2cc(Br)cs2)n1 ZINC000043687479 183380970 /nfs/dbraw/zinc/38/09/70/183380970.db2.gz ZFONCVJGMMRTNX-UHFFFAOYSA-N 0 0 311.126 3.774 10 0 DHAERN C[C@@H](OC(=O)c1cc(Br)ccc1N)c1ccccc1 ZINC000104173849 193988969 /nfs/dbraw/zinc/98/89/69/193988969.db2.gz GMAKFDBEQDIONS-SNVBAGLBSA-N 0 0 320.186 3.949 10 0 DHAERN CCOC(=O)c1cnc2nc(C)ccc2c1N(C)c1ccccc1 ZINC000047157761 183582209 /nfs/dbraw/zinc/58/22/09/183582209.db2.gz JPPLYIPZCGBDKR-UHFFFAOYSA-N 0 0 321.380 3.883 10 0 DHAERN CC[C@@H](C)[C@@](C)(O)Cc1cc(Br)ccc1OC ZINC000049597798 183746027 /nfs/dbraw/zinc/74/60/27/183746027.db2.gz ZWSXTIMWIISYNS-YGRLFVJLSA-N 0 0 301.224 3.797 10 0 DHAERN COc1ccc(Br)cc1C[C@@]1(O)CCC[C@@H](C)C1 ZINC000049597558 183746331 /nfs/dbraw/zinc/74/63/31/183746331.db2.gz NGXITFHEFQZSPB-IAQYHMDHSA-N 0 0 313.235 3.941 10 0 DHAERN Cc1ccnc(SCc2ccc(F)c(Br)c2)n1 ZINC000051332161 183823766 /nfs/dbraw/zinc/82/37/66/183823766.db2.gz AZMKQGOOSVGIAZ-UHFFFAOYSA-N 0 0 313.195 3.979 10 0 DHAERN C[C@](O)(c1ccc(F)cc1F)c1ccccc1Br ZINC000055238124 183972895 /nfs/dbraw/zinc/97/28/95/183972895.db2.gz ZETHVYYONQXESI-CQSZACIVSA-N 0 0 313.141 3.983 10 0 DHAERN CC(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)n(C)c1 ZINC000056353684 184011311 /nfs/dbraw/zinc/01/13/11/184011311.db2.gz LGSZKRDCORPIBH-VIFPVBQESA-N 0 0 322.767 3.511 10 0 DHAERN Clc1nc(NCCc2c[nH]c3ccccc23)nc2c1CCC2 ZINC000057345646 184034312 /nfs/dbraw/zinc/03/43/12/184034312.db2.gz WQQHENGTCIHGLT-UHFFFAOYSA-N 0 0 312.804 3.755 10 0 DHAERN COCc1cc(Cl)nc(Nc2cccc3c2CCCC3)n1 ZINC000057345825 184034541 /nfs/dbraw/zinc/03/45/41/184034541.db2.gz JBHPVFLEKKYJOU-UHFFFAOYSA-N 0 0 303.793 3.899 10 0 DHAERN CC(C)c1cc(C(=O)N2Cc3cccc(F)c3C2)c(O)cc1O ZINC000058583686 184123726 /nfs/dbraw/zinc/12/37/26/184123726.db2.gz IOFDJWNVQIKEFM-UHFFFAOYSA-N 0 0 315.344 3.516 10 0 DHAERN CC[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)o2)C1=O ZINC000059292766 184136214 /nfs/dbraw/zinc/13/62/14/184136214.db2.gz GZTONNSWUXKBOU-KBICQTFXSA-N 0 0 320.414 3.715 10 0 DHAERN CCCO[C@@H]1CCCN(Cc2nc(Cl)ccc2Cl)C1 ZINC000061630882 184179897 /nfs/dbraw/zinc/17/98/97/184179897.db2.gz SHYLJNJLPCQFJD-LLVKDONJSA-N 0 0 303.233 3.779 10 0 DHAERN Cn1cccc1C(=O)Nc1cc(Br)ccc1Cl ZINC000061693004 184183469 /nfs/dbraw/zinc/18/34/69/184183469.db2.gz NKRZEZAAQJULRI-UHFFFAOYSA-N 0 0 313.582 3.693 10 0 DHAERN C[C@H](O)c1ccc(N(C)CC(F)(F)F)c(Br)c1 ZINC000061695714 184183476 /nfs/dbraw/zinc/18/34/76/184183476.db2.gz MZULVDWFIFZFBI-ZETCQYMHSA-N 0 0 312.129 3.501 10 0 DHAERN O[C@@H](c1ccc2c(c1)COC2)c1ccc(F)cc1Br ZINC000062334809 184230959 /nfs/dbraw/zinc/23/09/59/184230959.db2.gz ZZCGJNLMRRUDFH-HNNXBMFYSA-N 0 0 323.161 3.700 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)c1cccc(Br)c1 ZINC000063187890 184276689 /nfs/dbraw/zinc/27/66/89/184276689.db2.gz PVJLYKNTYZQTSU-UHFFFAOYSA-N 0 0 317.186 3.669 10 0 DHAERN O=C(NCc1ccccc1F)c1ccnc(-c2ccsc2)c1 ZINC000064676069 184302251 /nfs/dbraw/zinc/30/22/51/184302251.db2.gz LWETZXMKRXHBKO-UHFFFAOYSA-N 0 0 312.369 3.879 10 0 DHAERN Fc1cccc(-c2cc3n(n2)CCCN(Cc2ccco2)C3)c1 ZINC000065270447 184320295 /nfs/dbraw/zinc/32/02/95/184320295.db2.gz XVZHWZOLKYCEAM-UHFFFAOYSA-N 0 0 311.360 3.688 10 0 DHAERN CCOC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343921 184326218 /nfs/dbraw/zinc/32/62/18/184326218.db2.gz QTIZMPBLIVGCKB-UHFFFAOYSA-N 0 0 321.170 3.998 10 0 DHAERN COC(=O)c1c(-c2ccc(F)cc2)nc(SC)nc1C(C)C ZINC000065743311 184378343 /nfs/dbraw/zinc/37/83/43/184378343.db2.gz ZOHVECQKEABYPF-UHFFFAOYSA-N 0 0 320.389 3.915 10 0 in-vitro DHAERN Cc1ccc(O)cc1CC[C@@H]1C(=O)CC[C@]2(C)C(=O)CC[C@@H]12 ZINC000017326737 257132359 /nfs/dbraw/zinc/13/23/59/257132359.db2.gz ZWXONJFCJAGEBA-BXWFABGCSA-N 0 0 300.398 3.598 10 0 in-vitro DHAERN Cc1ccc(NCC2N=NC(=S)N2c2ccccc2C)cc1 ZINC000334163175 257262578 /nfs/dbraw/zinc/26/25/78/257262578.db2.gz VSJIWGHWMXQUJO-UHFFFAOYSA-N 0 0 310.426 3.785 10 0 DHAERN CCCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000071790688 184842570 /nfs/dbraw/zinc/84/25/70/184842570.db2.gz DZNFOHLHKBCPLP-SJORKVTESA-N 0 0 319.445 3.724 10 0 DHAERN CC1(C)C[C@H](NC(=O)Nc2ccc3cc[nH]c3c2)C(C)(C)O1 ZINC000194278443 335065223 /nfs/dbraw/zinc/06/52/23/335065223.db2.gz ULJGGMOSGJVXJG-AWEZNQCLSA-N 0 0 301.390 3.636 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)s1 ZINC000175852630 332910738 /nfs/dbraw/zinc/91/07/38/332910738.db2.gz NWTZBWLHKOQZHR-CYBMUJFWSA-N 0 0 318.446 3.776 10 0 DHAERN CCCCN(CC)C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000047148755 331510161 /nfs/dbraw/zinc/51/01/61/331510161.db2.gz ZRGATEPSJRDNKX-ZDUSSCGKSA-N 0 0 308.422 3.596 10 0 DHAERN CSc1cc(C(=O)N[C@@H]2CCOc3ccccc32)ccc1F ZINC000179642142 331530670 /nfs/dbraw/zinc/53/06/70/331530670.db2.gz CGMJQEFGPINMLK-CQSZACIVSA-N 0 0 317.385 3.801 10 0 DHAERN CCc1cc(NC(=O)C(=O)N[C@@H](C)c2ccccc2C)ccc1C ZINC000180477355 331570201 /nfs/dbraw/zinc/57/02/01/331570201.db2.gz CUCWMPHZDRYPNC-HNNXBMFYSA-N 0 0 324.424 3.682 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)/C=C\c3ccccc3)C2)n1 ZINC000255121091 331709056 /nfs/dbraw/zinc/70/90/56/331709056.db2.gz UOJAFRBKXOUVSE-YDZSZYSISA-N 0 0 312.438 3.871 10 0 DHAERN COc1cc(N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(OC)cc1Cl ZINC000085628653 331743478 /nfs/dbraw/zinc/74/34/78/331743478.db2.gz UACNADPNQDOLID-ZWZTZDBGSA-N 0 0 311.809 3.583 10 0 DHAERN Cc1csc(C2(NC(=O)C3C[C@H](C)O[C@@H](C)C3)CCCC2)n1 ZINC000094133586 331991517 /nfs/dbraw/zinc/99/15/17/331991517.db2.gz KRYZJAJAAFCADN-STQMWFEESA-N 0 0 322.474 3.541 10 0 DHAERN Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130100107 332022839 /nfs/dbraw/zinc/02/28/39/332022839.db2.gz VMFDFFRSTFRDQY-LRDDRELGSA-N 0 0 302.805 3.923 10 0 DHAERN O=C(c1cccc(-c2ccoc2)c1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000089760082 332076637 /nfs/dbraw/zinc/07/66/37/332076637.db2.gz SLRCZWFPIJRXSD-ZWKOTPCHSA-N 0 0 311.381 3.730 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1C ZINC000181025121 332173268 /nfs/dbraw/zinc/17/32/68/332173268.db2.gz MVTBBDQMUWYJFK-KDOFPFPSSA-N 0 0 321.848 3.724 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000152960637 332298609 /nfs/dbraw/zinc/29/86/09/332298609.db2.gz WLLLWZMZCPZHJS-WCFLWFBJSA-N 0 0 310.463 3.662 10 0 DHAERN Brc1cccc(CN2CCO[C@H]3CCCC[C@H]32)c1 ZINC000217345121 332347893 /nfs/dbraw/zinc/34/78/93/332347893.db2.gz MPFJULWFPPIGOL-CABCVRRESA-N 0 0 310.235 3.593 10 0 DHAERN CCC(CC)(CC)CNC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000150907944 332454376 /nfs/dbraw/zinc/45/43/76/332454376.db2.gz LTSAUKRLAVJXHH-AWEZNQCLSA-N 0 0 319.449 3.529 10 0 DHAERN CC[C@@H](COC)NC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000150932225 332458949 /nfs/dbraw/zinc/45/89/49/332458949.db2.gz SPXXHLOEPSZUGA-ZBFHGGJFSA-N 0 0 322.449 3.507 10 0 DHAERN CCC[C@@H]([NH2+]CCCSc1ccccc1Cl)C(=O)[O-] ZINC000185049865 335110551 /nfs/dbraw/zinc/11/05/51/335110551.db2.gz NZWZSWAVNJXQKI-GFCCVEGCSA-N 0 0 301.839 3.665 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2-c2ccccc2)O1 ZINC000151479190 332580681 /nfs/dbraw/zinc/58/06/81/332580681.db2.gz CHBKYKFXDMWTOO-HNAYVOBHSA-N 0 0 309.409 3.880 10 0 DHAERN COc1ccc(CCCCCC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171566264 332678590 /nfs/dbraw/zinc/67/85/90/332678590.db2.gz ANZLHICISDPPHQ-HNNXBMFYSA-N 0 0 321.486 3.762 10 0 DHAERN C[C@H](C1CC1)N(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000171747915 333053796 /nfs/dbraw/zinc/05/37/96/333053796.db2.gz JHADBLWVBIOOLD-VCTAVGKDSA-N 0 0 305.368 3.858 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)N(C)Cc2scnc2C)cc1 ZINC000171758544 333054130 /nfs/dbraw/zinc/05/41/30/333054130.db2.gz KNHNKKHQKPOEDV-GFCCVEGCSA-N 0 0 317.458 3.917 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000171983748 333056960 /nfs/dbraw/zinc/05/69/60/333056960.db2.gz BOSDGKPCQJLSPV-HKUYNNGSSA-N 0 0 322.408 3.543 10 0 DHAERN Cc1cc2c(cc1C)O[C@H](C(=O)N[C@H](C)c1cccs1)C2 ZINC000173094462 333068830 /nfs/dbraw/zinc/06/88/30/333068830.db2.gz LMHWDEQTLMSCQQ-DOMZBBRYSA-N 0 0 301.411 3.546 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000173653447 333076456 /nfs/dbraw/zinc/07/64/56/333076456.db2.gz GTOULFUHLMGMSX-KGLIPLIRSA-N 0 0 310.463 3.650 10 0 DHAERN Cc1nc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1 ZINC000179052353 333145649 /nfs/dbraw/zinc/14/56/49/333145649.db2.gz KNGGVTGRCSWFMK-VHSXEESVSA-N 0 0 306.353 3.611 10 0 DHAERN CC(C)(C)SCCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000179067141 333146057 /nfs/dbraw/zinc/14/60/57/333146057.db2.gz OIKACKIAWJRAIC-CQSZACIVSA-N 0 0 307.459 3.938 10 0 DHAERN CC(C)CC(=O)N1CCC[C@@H](c2ccnc(-c3ccccc3)n2)C1 ZINC000065135216 333156457 /nfs/dbraw/zinc/15/64/57/333156457.db2.gz CPPSAHKXUUCCAM-QGZVFWFLSA-N 0 0 323.440 3.896 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1scnc1C1CC1)[C@H](C)C2 ZINC000182208696 333190483 /nfs/dbraw/zinc/19/04/83/333190483.db2.gz ZVJNVSXVFISMRK-IAQYHMDHSA-N 0 0 312.438 3.992 10 0 DHAERN COCc1ccccc1C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182219943 333205797 /nfs/dbraw/zinc/20/57/97/333205797.db2.gz PCCRIXBONWNVPW-LIRRHRJNSA-N 0 0 309.409 3.805 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000188406926 333246788 /nfs/dbraw/zinc/24/67/88/333246788.db2.gz YOWMMILQYKEUQW-GXFFZTMASA-N 0 0 301.308 3.545 10 0 DHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000191019368 333276759 /nfs/dbraw/zinc/27/67/59/333276759.db2.gz UFUYQSBHBFMWOL-WMLDXEAASA-N 0 0 310.397 3.811 10 0 DHAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000188367602 333364479 /nfs/dbraw/zinc/36/44/79/333364479.db2.gz RMXLSXIYWCNVKI-MNOVXSKESA-N 0 0 318.870 3.511 10 0 DHAERN COCc1cccc(CC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000188518281 333370316 /nfs/dbraw/zinc/37/03/16/333370316.db2.gz SCBCJLZFIABVQQ-AWEZNQCLSA-N 0 0 315.388 3.700 10 0 DHAERN CC(C)Cn1ccnc(N[C@@H](C)c2ccccc2Cl)c1=O ZINC000061765199 333431390 /nfs/dbraw/zinc/43/13/90/333431390.db2.gz DIUHSUBAZMIBDN-LBPRGKRZSA-N 0 0 305.809 3.726 10 0 DHAERN CC(C)Cn1ccnc(N[C@@H](C)c2cccc(Cl)c2)c1=O ZINC000061764128 333432321 /nfs/dbraw/zinc/43/23/21/333432321.db2.gz NXHVBERWFWUKRW-LBPRGKRZSA-N 0 0 305.809 3.726 10 0 DHAERN COC(=O)[C@@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000187641948 334266375 /nfs/dbraw/zinc/26/63/75/334266375.db2.gz HQQYOMZBOCEPPN-IBGZPJMESA-N 0 0 320.392 3.547 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000112046041 334362693 /nfs/dbraw/zinc/36/26/93/334362693.db2.gz DOZMKWOKNFGCJA-DMSXTEQDSA-N 0 0 321.420 3.894 10 0 DHAERN CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000112131761 334365761 /nfs/dbraw/zinc/36/57/61/334365761.db2.gz PUUVQCBSPVGBCJ-KGLIPLIRSA-N 0 0 310.463 3.966 10 0 DHAERN COC(=O)[C@@H]1CCC[N@H+](Cc2sc3ccccc3c2Cl)C1 ZINC000112336459 334382961 /nfs/dbraw/zinc/38/29/61/334382961.db2.gz PIAGPEQBLJQULI-LLVKDONJSA-N 0 0 323.845 3.940 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cnn([C@H](C)C3CC3)c2)o1 ZINC000189808124 334911431 /nfs/dbraw/zinc/91/14/31/334911431.db2.gz PUCVHAQHYJBUDZ-VXGBXAGGSA-N 0 0 302.378 3.638 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 ZINC000113204116 335208716 /nfs/dbraw/zinc/20/87/16/335208716.db2.gz RLKHVGYBTCBWAW-CQSZACIVSA-N 0 0 306.475 3.992 10 0 DHAERN O=C(c1cc(Br)ccc1Cl)N1C[C@H]2CCC[C@H]21 ZINC000349367671 335666995 /nfs/dbraw/zinc/66/69/95/335666995.db2.gz MNUMMYHWBHDHSL-PRHODGIISA-N 0 0 314.610 3.727 10 0 DHAERN O=C(C[C@@H]1C=CCCC1)Nc1ccc(NC2CCOCC2)cc1 ZINC000330229224 336126964 /nfs/dbraw/zinc/12/69/64/336126964.db2.gz VSVRQKXYXXWREI-OAHLLOKOSA-N 0 0 314.429 3.962 10 0 DHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000333304884 336201677 /nfs/dbraw/zinc/20/16/77/336201677.db2.gz MXOKTJXRYSROGG-NSHDSACASA-N 0 0 316.380 3.662 10 0 DHAERN CN(CCCOc1ccccc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000042322653 336238894 /nfs/dbraw/zinc/23/88/94/336238894.db2.gz JMHREYAFFVENQL-IBGZPJMESA-N 0 0 324.424 3.784 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000103358170 336240219 /nfs/dbraw/zinc/24/02/19/336240219.db2.gz AFGIXSPBXPUDNW-JTQLQIEISA-N 0 0 300.383 3.671 10 0 DHAERN C[C@H](NC(=O)N(C)CC(F)F)c1ccc(Cl)c(Cl)c1 ZINC000103505788 336242128 /nfs/dbraw/zinc/24/21/28/336242128.db2.gz LHAKWCOJCDRCAX-ZETCQYMHSA-N 0 0 311.159 3.961 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)o1 ZINC000043724758 336271441 /nfs/dbraw/zinc/27/14/41/336271441.db2.gz UOWLTXLXCHVZFZ-RYUDHWBXSA-N 0 0 312.373 3.586 10 0 DHAERN C[C@@H](NC(=O)COCc1ccccc1)c1ccc2c(c1)CCCC2 ZINC000104892731 336271525 /nfs/dbraw/zinc/27/15/25/336271525.db2.gz UBWMIEOMEHPQGM-MRXNPFEDSA-N 0 0 323.436 3.959 10 0 DHAERN c1ccc2c(c1)CC[C@@H]2Nc1ccc(CN2CCOCC2)cc1 ZINC000192949073 336285811 /nfs/dbraw/zinc/28/58/11/336285811.db2.gz PKMPEERWRKXKED-FQEVSTJZSA-N 0 0 308.425 3.618 10 0 DHAERN C[C@@H](NC(=O)NCCCCCO)c1ccc(Cl)c(Cl)c1 ZINC000193011252 336286930 /nfs/dbraw/zinc/28/69/30/336286930.db2.gz UQIJPZQXZMKZIJ-SNVBAGLBSA-N 0 0 319.232 3.516 10 0 DHAERN Cc1csc(N2CCCN(c3ccc4ccccc4n3)CC2)n1 ZINC000301064134 336288104 /nfs/dbraw/zinc/28/81/04/336288104.db2.gz CZLIDGPOJXKVEF-UHFFFAOYSA-N 0 0 324.453 3.716 10 0 DHAERN COC(=O)N1CCC[C@H](Nc2cc3ccccc3c(Cl)n2)C1 ZINC000301161720 336292655 /nfs/dbraw/zinc/29/26/55/336292655.db2.gz HLTXBLBNCHICNF-LBPRGKRZSA-N 0 0 319.792 3.531 10 0 DHAERN c1[nH]nc2ncnc(Oc3ccc(NC4CCCCC4)cc3)c12 ZINC000301164170 336292811 /nfs/dbraw/zinc/29/28/11/336292811.db2.gz BQLMWNARFHAOKI-UHFFFAOYSA-N 0 0 309.373 3.890 10 0 DHAERN O[C@H](CNc1ccc2c(Cl)ccnc2c1F)C1CCCC1 ZINC000301290650 336298996 /nfs/dbraw/zinc/29/89/96/336298996.db2.gz OWXQZUCAVOSFPW-CQSZACIVSA-N 0 0 308.784 3.990 10 0 DHAERN CC(C)c1noc(NCc2cccnc2OCc2ccccc2)n1 ZINC000301337088 336301228 /nfs/dbraw/zinc/30/12/28/336301228.db2.gz OMZCMPFTSMQUQM-UHFFFAOYSA-N 0 0 324.384 3.779 10 0 DHAERN CSC[C@@H](C)N(C)c1ncnc2sc3c(c21)CCCC3 ZINC000301337090 336301277 /nfs/dbraw/zinc/30/12/77/336301277.db2.gz ONAFGZCDEAJPDX-SNVBAGLBSA-N 0 0 307.488 3.758 10 0 DHAERN CCO[C@H]1C[C@H](N(C)c2ncnc3sccc32)C12CCCC2 ZINC000301362121 336302558 /nfs/dbraw/zinc/30/25/58/336302558.db2.gz PBDVRQHIIFJLEJ-KBPBESRZSA-N 0 0 317.458 3.865 10 0 DHAERN CCOC(=O)c1cnc2ccccc2c1N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000301401112 336304517 /nfs/dbraw/zinc/30/45/17/336304517.db2.gz BZCQGSCZNNWIPB-GASCZTMLSA-N 0 0 322.408 3.814 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000301412302 336305011 /nfs/dbraw/zinc/30/50/11/336305011.db2.gz APGVEZHICCFMMB-DOMZBBRYSA-N 0 0 321.852 3.962 10 0 DHAERN C1=CC[C@@H]2CN(c3ncnc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC000301424555 336305736 /nfs/dbraw/zinc/30/57/36/336305736.db2.gz OOIXRGQLGOFBIA-CHWSQXEVSA-N 0 0 311.454 3.973 10 0 DHAERN CCc1cc(N2C[C@H]3CC=CC[C@@H]3C2)nc(-c2ccccn2)n1 ZINC000301423813 336305818 /nfs/dbraw/zinc/30/58/18/336305818.db2.gz OKAVGSSRZHEWMY-HUUCEWRRSA-N 0 0 306.413 3.503 10 0 DHAERN Cc1nc(-c2cccnc2)nc(N2C[C@H]3CC=CC[C@@H]3C2)c1C ZINC000301429870 336306263 /nfs/dbraw/zinc/30/62/63/336306263.db2.gz QCRWSNQXFXCOFN-IAGOWNOFSA-N 0 0 306.413 3.558 10 0 DHAERN Cc1ccc([C@](C)(O)CNc2ncnc3cc(Cl)ccc32)o1 ZINC000301449152 336307558 /nfs/dbraw/zinc/30/75/58/336307558.db2.gz WRQXCLBFJCRTNQ-MRXNPFEDSA-N 0 0 317.776 3.504 10 0 DHAERN Cc1cncc(N[C@@H]2C[C@H]2c2ccccc2Br)n1 ZINC000302222629 336354756 /nfs/dbraw/zinc/35/47/56/336354756.db2.gz NBNQCWMKEZTBAI-WCQYABFASA-N 0 0 304.191 3.516 10 0 DHAERN CC(C)(C)c1nccc(NCc2cccc(Cn3ccnc3)c2)n1 ZINC000301503447 336311016 /nfs/dbraw/zinc/31/10/16/336311016.db2.gz FVRUCAXUFYMMLP-UHFFFAOYSA-N 0 0 321.428 3.631 10 0 DHAERN CC(C)(C)[C@@H]1OCC[C@H]1CNc1c(F)c(F)nc(F)c1F ZINC000301583216 336316434 /nfs/dbraw/zinc/31/64/34/336316434.db2.gz AFKLYKDYKVPLCQ-WRWORJQWSA-N 0 0 306.303 3.501 10 0 DHAERN Cn1c(CNc2nc3ccccc3c(=O)[nH]2)cc(Cl)c1Cl ZINC000301630527 336319358 /nfs/dbraw/zinc/31/93/58/336319358.db2.gz ITBKIHDUMCQXQS-UHFFFAOYSA-N 0 0 323.183 3.593 10 0 DHAERN FC(F)(F)c1cc(NC2CC=CC2)nc(-c2ccccn2)n1 ZINC000301638550 336319884 /nfs/dbraw/zinc/31/98/84/336319884.db2.gz LMDQMYQYFLOYQY-UHFFFAOYSA-N 0 0 306.291 3.688 10 0 DHAERN CC[C@@H](CNc1cc(C)nc2ncnn21)c1ccc(Cl)cc1 ZINC000301673101 336322576 /nfs/dbraw/zinc/32/25/76/336322576.db2.gz ATVCROIWXLLNAD-LBPRGKRZSA-N 0 0 315.808 3.692 10 0 DHAERN CC[C@H](CNc1ccc(C(=O)OC)nn1)c1ccc(Cl)cc1 ZINC000301710669 336324901 /nfs/dbraw/zinc/32/49/01/336324901.db2.gz UUVJOLVUQBLVTD-LLVKDONJSA-N 0 0 319.792 3.522 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2ncnc3sc4c(c32)CCC4)C1 ZINC000301759602 336328177 /nfs/dbraw/zinc/32/81/77/336328177.db2.gz FPNJCIZHTZODNW-QWRGUYRKSA-N 0 0 303.431 3.550 10 0 DHAERN CCOC(=O)[C@]1(C)CCN(c2cc3ccccc3c(Cl)n2)C1 ZINC000301769596 336328641 /nfs/dbraw/zinc/32/86/41/336328641.db2.gz OUINSIOUCFGMQP-QGZVFWFLSA-N 0 0 318.804 3.668 10 0 DHAERN COCc1cc(N2CC[C@H]3CCCC[C@@H]32)nc(C(C)(C)C)n1 ZINC000301773398 336328943 /nfs/dbraw/zinc/32/89/43/336328943.db2.gz FLIBEHMUSBUHNZ-HIFRSBDPSA-N 0 0 303.450 3.689 10 0 DHAERN Cc1cc(N[C@@H]2CCCCC[C@H]2CO)ncc1Br ZINC000301820733 336332276 /nfs/dbraw/zinc/33/22/76/336332276.db2.gz BFDHIGPYBDRAFX-WCQYABFASA-N 0 0 313.239 3.506 10 0 DHAERN OCCN(Cc1ccsc1)c1cc2ccccc2c(Cl)n1 ZINC000301842906 336333565 /nfs/dbraw/zinc/33/35/65/336333565.db2.gz QVNJTZNIBAJLOF-UHFFFAOYSA-N 0 0 318.829 3.949 10 0 DHAERN C[C@H](Nc1nc2ccccc2[nH]1)c1cnn(Cc2ccccc2)c1 ZINC000301850598 336334046 /nfs/dbraw/zinc/33/40/46/336334046.db2.gz AZNMNRWFEPJCLC-AWEZNQCLSA-N 0 0 317.396 3.981 10 0 DHAERN CCCc1nnc(NCc2cccc(-c3cnn(C)c3)c2)s1 ZINC000301897945 336336963 /nfs/dbraw/zinc/33/69/63/336336963.db2.gz WGXDRDINPCQHDK-UHFFFAOYSA-N 0 0 313.430 3.503 10 0 DHAERN CCc1ncnc(Nc2ccc(OC)c(OC(F)F)c2)c1F ZINC000301909101 336337606 /nfs/dbraw/zinc/33/76/06/336337606.db2.gz FJGSWOWNRWZDNZ-UHFFFAOYSA-N 0 0 313.279 3.532 10 0 DHAERN Fc1ccc(-c2ccc(N3CCc4cc(F)ccc4C3)nn2)cc1 ZINC000301910326 336337679 /nfs/dbraw/zinc/33/76/79/336337679.db2.gz BOJJCJAVTKRBFB-UHFFFAOYSA-N 0 0 323.346 3.985 10 0 DHAERN Cc1ccc2ncnc(Nc3ccc(Cn4ccnc4)cc3)c2c1 ZINC000301917434 336337895 /nfs/dbraw/zinc/33/78/95/336337895.db2.gz BQDCITIGMZVHQV-UHFFFAOYSA-N 0 0 315.380 3.927 10 0 DHAERN Cc1ccc([C@H](C)Nc2nc(C(C)C)nc(N(C)C)n2)cc1F ZINC000301924952 336338274 /nfs/dbraw/zinc/33/82/74/336338274.db2.gz GQLSNMSROWPAJD-LBPRGKRZSA-N 0 0 317.412 3.682 10 0 DHAERN CSc1nc2ncnc(N3CCC[C@@H]4CCCC[C@H]43)c2s1 ZINC000301926312 336338414 /nfs/dbraw/zinc/33/84/14/336338414.db2.gz JDVISBGDNNTORA-WDEREUQCSA-N 0 0 320.487 3.967 10 0 DHAERN CCOC(=O)c1sc(N[C@@H]2CC[C@H](SCC)C2)nc1C ZINC000302001978 336342521 /nfs/dbraw/zinc/34/25/21/336342521.db2.gz JICHWWMQIYTBLZ-MNOVXSKESA-N 0 0 314.476 3.714 10 0 DHAERN CCc1cc(N2C[C@H](c3ccc(OC)cc3)C[C@H]2C)nc(C)n1 ZINC000302053706 336345836 /nfs/dbraw/zinc/34/58/36/336345836.db2.gz PJYKTBCKNILNDS-CZUORRHYSA-N 0 0 311.429 3.738 10 0 DHAERN CCc1cc(N[C@H](C)c2cnn(Cc3ccccc3)c2)nc(C)n1 ZINC000302066398 336346462 /nfs/dbraw/zinc/34/64/62/336346462.db2.gz CXAXGVPZVYVSTQ-CQSZACIVSA-N 0 0 321.428 3.765 10 0 DHAERN CC(C)(C)c1cn2nc(N[C@@H]3CC(C)(C)OC3(C)C)sc2n1 ZINC000302070522 336346774 /nfs/dbraw/zinc/34/67/74/336346774.db2.gz UIDFVYVWGODKCG-SNVBAGLBSA-N 0 0 322.478 3.846 10 0 DHAERN Cc1nc2c(c(N[C@H](c3nccs3)C3CC3)n1)CCCC2 ZINC000302094843 336348223 /nfs/dbraw/zinc/34/82/23/336348223.db2.gz NQFWAXOQDVQPKY-AWEZNQCLSA-N 0 0 300.431 3.684 10 0 DHAERN Clc1ccccc1-c1nnc(NCC[C@@H]2CCCO2)s1 ZINC000302153260 336351203 /nfs/dbraw/zinc/35/12/03/336351203.db2.gz LMVIFLKEJCYDTN-JTQLQIEISA-N 0 0 309.822 3.840 10 0 DHAERN CCOC(=O)c1cccnc1N1CC=C(c2cccs2)CC1 ZINC000302218905 336354544 /nfs/dbraw/zinc/35/45/44/336354544.db2.gz LHIBHJCIEZTCMJ-UHFFFAOYSA-N 0 0 314.410 3.614 10 0 DHAERN CC(C)Cc1nsc(N2Cc3ccccc3N(C)C[C@H]2C)n1 ZINC000302327924 336357274 /nfs/dbraw/zinc/35/72/74/336357274.db2.gz YNHUMSFSTRIBHB-CYBMUJFWSA-N 0 0 316.474 3.582 10 0 DHAERN C[C@@](O)(CCNc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000302438174 336358886 /nfs/dbraw/zinc/35/88/86/336358886.db2.gz MNSZKXBRNDYHAC-QGZVFWFLSA-N 0 0 300.333 3.677 10 0 DHAERN Fc1cc(C(F)(F)F)cc(C2(CNc3ncns3)CC2)c1 ZINC000302642416 336363321 /nfs/dbraw/zinc/36/33/21/336363321.db2.gz INCOFQHORDQDEZ-UHFFFAOYSA-N 0 0 317.311 3.840 10 0 DHAERN COCCN(C[C@@H]1CC=CCC1)c1ncnc2sc(C)cc21 ZINC000302694203 336365197 /nfs/dbraw/zinc/36/51/97/336365197.db2.gz DFESKLVUJNXMQI-CQSZACIVSA-N 0 0 317.458 3.809 10 0 DHAERN CC(C)[C@@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103169107 336375237 /nfs/dbraw/zinc/37/52/37/336375237.db2.gz MHOVHTNDUNMMQO-LLVKDONJSA-N 0 0 304.415 3.673 10 0 DHAERN CC(C)[C@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000103169109 336375282 /nfs/dbraw/zinc/37/52/82/336375282.db2.gz MHOVHTNDUNMMQO-NSHDSACASA-N 0 0 304.415 3.673 10 0 DHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042652 336830455 /nfs/dbraw/zinc/83/04/55/336830455.db2.gz GXWRJKCJYRFTJN-XJKSGUPXSA-N 0 0 301.361 3.961 10 0 DHAERN O=C(c1cc(F)c(F)c(F)c1F)N1CCC[C@@H]1c1ccco1 ZINC000116044016 336830629 /nfs/dbraw/zinc/83/06/29/336830629.db2.gz RMGHMGRLZWQDDM-SNVBAGLBSA-N 0 0 313.250 3.813 10 0 DHAERN COc1cc(C)ccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116490547 336840788 /nfs/dbraw/zinc/84/07/88/336840788.db2.gz DISMGLTZSGLTLY-AWEZNQCLSA-N 0 0 300.358 3.966 10 0 DHAERN O=C(Nc1cccc(C(F)F)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000120151140 336900009 /nfs/dbraw/zinc/90/00/09/336900009.db2.gz YBSNAXVGYBSMSU-SUMWQHHRSA-N 0 0 324.371 3.783 10 0 DHAERN CC1(C)C[C@H](NC(=O)Cc2cccc(F)c2)c2ccccc2O1 ZINC000121757720 336977222 /nfs/dbraw/zinc/97/72/22/336977222.db2.gz VVZFMTCPJFFENF-INIZCTEOSA-N 0 0 313.372 3.787 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CC[C@H](Oc2cccnc2)C1 ZINC000123099466 337035460 /nfs/dbraw/zinc/03/54/60/337035460.db2.gz UFSUPJNJAIUWQI-INIZCTEOSA-N 0 0 304.434 3.668 10 0 DHAERN Cc1conc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000123326751 337044652 /nfs/dbraw/zinc/04/46/52/337044652.db2.gz FYUUJYKTIZIANT-QMMMGPOBSA-N 0 0 315.156 3.696 10 0 DHAERN COC(=O)[C@H](NCc1ccc(C)c(Cl)c1)c1ccccc1 ZINC000193735376 337079257 /nfs/dbraw/zinc/07/92/57/337079257.db2.gz TXZDZTBOYDMBGF-MRXNPFEDSA-N 0 0 303.789 3.652 10 0 DHAERN CCc1nnc(CN(C)c2ccccc2Oc2ccccc2)n1C ZINC000170915288 337085369 /nfs/dbraw/zinc/08/53/69/337085369.db2.gz FJSWQOHHXFTCSB-UHFFFAOYSA-N 0 0 322.412 3.806 10 0 DHAERN O=C(Nc1cc(F)ccc1Cl)N[C@H]1COc2ccccc21 ZINC000171227390 337086010 /nfs/dbraw/zinc/08/60/10/337086010.db2.gz AOSGKUNDLHNUAL-ZDUSSCGKSA-N 0 0 306.724 3.734 10 0 DHAERN O=C(Nc1ccc2scnc2c1)N[C@@H]1COc2ccccc21 ZINC000171375078 337086475 /nfs/dbraw/zinc/08/64/75/337086475.db2.gz CMPVCTWKHITFOO-CYBMUJFWSA-N 0 0 311.366 3.552 10 0 DHAERN CCCn1ccc2cc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)ccc21 ZINC000171406110 337087276 /nfs/dbraw/zinc/08/72/76/337087276.db2.gz HLYNXJJIACQTSV-GUYCJALGSA-N 0 0 315.417 3.740 10 0 DHAERN C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CCOc2ccccc21 ZINC000171697675 337088598 /nfs/dbraw/zinc/08/85/98/337088598.db2.gz YZOBMYBYSOJDJG-KDOFPFPSSA-N 0 0 322.408 3.839 10 0 DHAERN CC(C)(C)c1csc([C@H]2CN([C@H]3C=CCCC3)CCO2)n1 ZINC000171735967 337089056 /nfs/dbraw/zinc/08/90/56/337089056.db2.gz YXWSXBCEWWTQML-UONOGXRCSA-N 0 0 306.475 3.923 10 0 DHAERN CO[C@@H](CNC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000172117447 337089918 /nfs/dbraw/zinc/08/99/18/337089918.db2.gz QYADWSBKVGDFNL-WBVHZDCISA-N 0 0 314.385 3.514 10 0 DHAERN CC(C)c1nccc(N[C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000172788844 337131032 /nfs/dbraw/zinc/13/10/32/337131032.db2.gz XOAXWECWMOGHHQ-CQSZACIVSA-N 0 0 307.401 3.959 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cccc2ncccc21 ZINC000172963410 337132679 /nfs/dbraw/zinc/13/26/79/337132679.db2.gz IEFJRMZAPWCYMG-HNNXBMFYSA-N 0 0 320.392 3.570 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 ZINC000173406777 337135089 /nfs/dbraw/zinc/13/50/89/337135089.db2.gz VYOQGRXFIQOGBK-NSHDSACASA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 ZINC000173406683 337135138 /nfs/dbraw/zinc/13/51/38/337135138.db2.gz VYOQGRXFIQOGBK-LLVKDONJSA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 ZINC000173428199 337135239 /nfs/dbraw/zinc/13/52/39/337135239.db2.gz IPLDTZYEQMHCHK-GFCCVEGCSA-N 0 0 321.471 3.545 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccc(C)c3)C2)n1 ZINC000173414741 337135263 /nfs/dbraw/zinc/13/52/63/337135263.db2.gz PBGMMYADFNGBRE-OAHLLOKOSA-N 0 0 300.427 3.780 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc[nH]c3=S)C2)n1 ZINC000173588579 337136591 /nfs/dbraw/zinc/13/65/91/337136591.db2.gz DPPUMBNSVKBXLU-NSHDSACASA-N 0 0 319.455 3.529 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)/C=C/C2CCCCC2)no1 ZINC000173596189 337136768 /nfs/dbraw/zinc/13/67/68/337136768.db2.gz CSOATSYDPLJEBM-AUECHBEKSA-N 0 0 317.433 3.993 10 0 DHAERN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628068 337137027 /nfs/dbraw/zinc/13/70/27/337137027.db2.gz SDBKHLZZWQBQTC-RYUDHWBXSA-N 0 0 304.825 3.680 10 0 DHAERN CCn1cc(C2CCN(C(=O)CCCC3CCCC3)CC2)cn1 ZINC000173629612 337137050 /nfs/dbraw/zinc/13/70/50/337137050.db2.gz DYIAWRCRULTZFZ-UHFFFAOYSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)ccc1F ZINC000173920807 337137565 /nfs/dbraw/zinc/13/75/65/337137565.db2.gz GHTGLRDFKIFOSQ-AWEZNQCLSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1ccc(C)c(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173922494 337137658 /nfs/dbraw/zinc/13/76/58/337137658.db2.gz IIWJEZPUBGWNOP-INIZCTEOSA-N 0 0 319.408 3.980 10 0 DHAERN C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000173938252 337137699 /nfs/dbraw/zinc/13/76/99/337137699.db2.gz RGFFZANZLGCBSP-ZDUSSCGKSA-N 0 0 309.344 3.502 10 0 DHAERN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCC(c2cc[nH]n2)CC1 ZINC000175148514 337144633 /nfs/dbraw/zinc/14/46/33/337144633.db2.gz PKJVLCJANNURKQ-LBPRGKRZSA-N 0 0 302.422 3.636 10 0 DHAERN CCc1nnc(CN2CCCSc3ccc(Cl)cc32)n1C ZINC000175962622 337149897 /nfs/dbraw/zinc/14/98/97/337149897.db2.gz IBPUHPXVBVCZEY-UHFFFAOYSA-N 0 0 322.865 3.533 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177176986 337154531 /nfs/dbraw/zinc/15/45/31/337154531.db2.gz IGXBLMYOQNZRAZ-RDJZCZTQSA-N 0 0 305.466 3.789 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177210972 337154878 /nfs/dbraw/zinc/15/48/78/337154878.db2.gz UPTMUHUYAFPBRD-DLBZAZTESA-N 0 0 305.466 3.789 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000177958194 337159324 /nfs/dbraw/zinc/15/93/24/337159324.db2.gz TVRWLKPFOVXLNL-SJKOYZFVSA-N 0 0 301.386 3.521 10 0 DHAERN C[C@@H](N[C@@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076295 337160331 /nfs/dbraw/zinc/16/03/31/337160331.db2.gz DUDHZMQTNVHVNS-CZUORRHYSA-N 0 0 310.445 3.688 10 0 DHAERN Cc1cc(Cl)ccc1C(=O)N[C@H]1CCOc2ccccc21 ZINC000178243006 337161534 /nfs/dbraw/zinc/16/15/34/337161534.db2.gz BOSJHIGIWLRXJV-HNNXBMFYSA-N 0 0 301.773 3.902 10 0 DHAERN Cc1ccc(C[C@H](C)C(=O)N[C@H]2CCOc3ccccc32)cc1 ZINC000179973350 337173020 /nfs/dbraw/zinc/17/30/20/337173020.db2.gz KJEVFMQRVCDQAE-YJBOKZPZSA-N 0 0 309.409 3.814 10 0 DHAERN O=C(/C=C/c1cccc(O)c1)N1CCCC[C@@H]1c1nccs1 ZINC000180085478 337173598 /nfs/dbraw/zinc/17/35/98/337173598.db2.gz LGQTXNYNGHZUMW-MVGZEHJDSA-N 0 0 314.410 3.616 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000180362354 337173863 /nfs/dbraw/zinc/17/38/63/337173863.db2.gz PLNMSVZNSUZLQP-CVEARBPZSA-N 0 0 321.465 3.766 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180820619 337177981 /nfs/dbraw/zinc/17/79/81/337177981.db2.gz LCIAPSBUXMVXKS-INIZCTEOSA-N 0 0 317.477 3.970 10 0 DHAERN CC[C@H](C)[C@@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000180894168 337178488 /nfs/dbraw/zinc/17/84/88/337178488.db2.gz SAGJQOYWIKFTEZ-NWDGAFQWSA-N 0 0 305.422 3.515 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCSc3ccncc32)CC(C)(C)C1 ZINC000180987727 337179116 /nfs/dbraw/zinc/17/91/16/337179116.db2.gz RXUAUPCQCVMYIU-QWHCGFSZSA-N 0 0 304.459 3.983 10 0 DHAERN Cc1csc([C@H]2CN(CCCc3cccc(C)c3)CCO2)n1 ZINC000181043177 337179500 /nfs/dbraw/zinc/17/95/00/337179500.db2.gz UERXSAKEYNUSDT-QGZVFWFLSA-N 0 0 316.470 3.766 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCc3c2cnn3C)CC(C)(C)C1 ZINC000181160524 337182147 /nfs/dbraw/zinc/18/21/47/337182147.db2.gz OVSYSKMOLNNACM-IJEWVQPXSA-N 0 0 317.477 3.718 10 0 DHAERN CCc1cc(NC(=O)N2CCC(c3cc[nH]n3)CC2)ccc1C ZINC000181992995 337185708 /nfs/dbraw/zinc/18/57/08/337185708.db2.gz KXWUTDXMCWPAOU-UHFFFAOYSA-N 0 0 312.417 3.692 10 0 DHAERN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)c1C ZINC000182209702 337187356 /nfs/dbraw/zinc/18/73/56/337187356.db2.gz KGIAEAVIBSSWRI-VOJFVSQTSA-N 0 0 324.424 3.806 10 0 DHAERN C[C@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1cccs1 ZINC000182553113 337188926 /nfs/dbraw/zinc/18/89/26/337188926.db2.gz CARQVAOKHSWDQH-VIFPVBQESA-N 0 0 321.352 3.927 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3ccco3)C2)CC(C)(C)C1 ZINC000184156530 337196618 /nfs/dbraw/zinc/19/66/18/337196618.db2.gz LYRQAANOPVMAFR-YCPHGPKFSA-N 0 0 305.418 3.642 10 0 DHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000185396749 337204681 /nfs/dbraw/zinc/20/46/81/337204681.db2.gz UQPPBWKKOFQWGX-VYDXJSESSA-N 0 0 315.413 3.657 10 0 DHAERN CC(C)C[C@@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000185435333 337205436 /nfs/dbraw/zinc/20/54/36/337205436.db2.gz DCPJOUXWOQRXOX-GFCCVEGCSA-N 0 0 305.422 3.515 10 0 DHAERN C[C@H](NC(=O)c1ccnc2ccncc21)c1ccc(Cl)s1 ZINC000186908472 337260278 /nfs/dbraw/zinc/26/02/78/337260278.db2.gz HMRBFYFYHDSZFL-VIFPVBQESA-N 0 0 317.801 3.836 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000188135611 337271022 /nfs/dbraw/zinc/27/10/22/337271022.db2.gz BTTBHHWCJLPXPZ-MLGOLLRUSA-N 0 0 307.821 3.646 10 0 DHAERN CCc1ccc(CN(C(=O)[C@@H]2CCCO[C@H]2C)C2CC2)cc1 ZINC000188140536 337271043 /nfs/dbraw/zinc/27/10/43/337271043.db2.gz IUOOJSHUFYCUBQ-KBXCAEBGSA-N 0 0 301.430 3.555 10 0 DHAERN CCCn1ccc2ccc(NC(=O)[C@H]3CCCO[C@@H]3C)cc21 ZINC000188592054 337272744 /nfs/dbraw/zinc/27/27/44/337272744.db2.gz YRNMAAXOYHGTSB-CJNGLKHVSA-N 0 0 300.402 3.805 10 0 DHAERN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188683667 337274936 /nfs/dbraw/zinc/27/49/36/337274936.db2.gz FRCQTKLQWPGLNW-VYDXJSESSA-N 0 0 319.445 3.714 10 0 DHAERN C[C@H]([NH2+]Cc1cncc(F)c1)c1cccc(Br)c1 ZINC000230938478 337275250 /nfs/dbraw/zinc/27/52/50/337275250.db2.gz KJLYXTGCANRANP-JTQLQIEISA-N 0 0 309.182 3.834 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000189453250 337279958 /nfs/dbraw/zinc/27/99/58/337279958.db2.gz FCCQQEVRPRFXCA-ZWNOBZJWSA-N 0 0 320.389 3.703 10 0 DHAERN CSC1(C(=O)N[C@H](C)c2ccccc2Br)CC1 ZINC000189630188 337280905 /nfs/dbraw/zinc/28/09/05/337280905.db2.gz YOJBKAVKEZSQSZ-SECBINFHSA-N 0 0 314.248 3.522 10 0 DHAERN C[C@H]1CCSCCN1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000189733030 337282420 /nfs/dbraw/zinc/28/24/20/337282420.db2.gz YPFXIIYMHAJAAV-LRDDRELGSA-N 0 0 322.449 3.740 10 0 DHAERN Cn1ccc2cccc(NC(=O)N[C@@H]3CCOc4ccccc43)c21 ZINC000190083434 337284372 /nfs/dbraw/zinc/28/43/72/337284372.db2.gz RRFZQWRGBSPHOB-OAHLLOKOSA-N 0 0 321.380 3.824 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2Br)O1 ZINC000190093440 337284502 /nfs/dbraw/zinc/28/45/02/337284502.db2.gz HRCYYLVWSKZICJ-OIBJUYFYSA-N 0 0 318.598 3.609 10 0 DHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@@H]2C)ccc1Br ZINC000190367967 337287020 /nfs/dbraw/zinc/28/70/20/337287020.db2.gz IFSJDCPJVVFBTP-PWSUYJOCSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000190558031 337288882 /nfs/dbraw/zinc/28/88/82/337288882.db2.gz TZWQNZNAPIEQHF-JQWIXIFHSA-N 0 0 316.228 3.767 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000190851890 337290209 /nfs/dbraw/zinc/29/02/09/337290209.db2.gz UVLBRDNUJUIEIY-QGZVFWFLSA-N 0 0 309.413 3.731 10 0 DHAERN CCC(C)(C)CNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000190781713 337290864 /nfs/dbraw/zinc/29/08/64/337290864.db2.gz TVOATWVLXHXBTL-ZDUSSCGKSA-N 0 0 309.479 3.777 10 0 DHAERN CSc1ccc(S(=O)(=O)N[C@@H](C)c2cccs2)cc1 ZINC000064572864 337307239 /nfs/dbraw/zinc/30/72/39/337307239.db2.gz SJMPCIDNJCAKQC-JTQLQIEISA-N 0 0 313.469 3.510 10 0 DHAERN CC(C)Oc1ncccc1NC(=O)N[C@H](C)c1cccs1 ZINC000193188853 337309897 /nfs/dbraw/zinc/30/98/97/337309897.db2.gz HQAGDSDOUYPCQM-LLVKDONJSA-N 0 0 305.403 3.813 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1cccn1C)c1cccs1 ZINC000193190260 337310065 /nfs/dbraw/zinc/31/00/65/337310065.db2.gz NRMJJVYOZCMMOH-GXTWGEPZSA-N 0 0 303.431 3.694 10 0 DHAERN CCOc1ccc(-c2ccc(NCC(=O)NC(C)C)cc2)cc1 ZINC000584590502 337370008 /nfs/dbraw/zinc/37/00/08/337370008.db2.gz AECLCFWODLBOFX-UHFFFAOYSA-N 0 0 312.413 3.689 10 0 DHAERN O=C(c1ccccc1)[C@H](F)[C@](O)(c1ccccc1)C(F)(F)F ZINC000584600482 337370750 /nfs/dbraw/zinc/37/07/50/337370750.db2.gz GZGPWRPCWNQQMQ-LSDHHAIUSA-N 0 0 312.262 3.658 10 0 DHAERN CC(C)(C)OC(=O)N[C@H]1CCc2cccc(Br)c21 ZINC000584600979 337370873 /nfs/dbraw/zinc/37/08/73/337370873.db2.gz DPLVFRUWOVZHTL-NSHDSACASA-N 0 0 312.207 3.961 10 0 DHAERN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)C=C[C@@H]4[C@H]3CC[C@]12C ZINC000584602334 337371028 /nfs/dbraw/zinc/37/10/28/337371028.db2.gz FVCJMSRPLVACPV-GAXNORQESA-N 0 0 318.457 3.708 10 0 DHAERN O=C1CCCC[C@@]1(F)c1cccc(I)c1 ZINC000584610591 337372034 /nfs/dbraw/zinc/37/20/34/337372034.db2.gz XYLNMRQDXIXCHX-GFCCVEGCSA-N 0 0 318.129 3.599 10 0 DHAERN Clc1cnc(COc2cnc3c(ccnc3Cl)c2)s1 ZINC000584616043 337372943 /nfs/dbraw/zinc/37/29/43/337372943.db2.gz VUHYCGOHYBHIJL-UHFFFAOYSA-N 0 0 312.181 3.972 10 0 DHAERN CC(=O)N[C@H](C)c1ccc2nc(-c3ccc(Cl)nc3)oc2c1 ZINC000584590987 337373372 /nfs/dbraw/zinc/37/33/72/337373372.db2.gz GNVGHQCDYHANOF-SECBINFHSA-N 0 0 315.760 3.740 10 0 DHAERN COC(=O)[C@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584596993 337374308 /nfs/dbraw/zinc/37/43/08/337374308.db2.gz XYAYRKDWCHVUHO-OAHLLOKOSA-N 0 0 319.198 3.948 10 0 DHAERN COC(=O)c1cc(Cc2ccc(OC)cc2)c(C)c(C)c1C=O ZINC000584597500 337374421 /nfs/dbraw/zinc/37/44/21/337374421.db2.gz RCZHOCLPZJYKRR-UHFFFAOYSA-N 0 0 312.365 3.502 10 0 DHAERN CN1c2cc(-c3cc(-c4ccncc4)on3)ccc2C(C)(C)C1=O ZINC000584625517 337375511 /nfs/dbraw/zinc/37/55/11/337375511.db2.gz JFFJQMMECZRWTP-UHFFFAOYSA-N 0 0 319.364 3.658 10 0 DHAERN COc1ccc2c(c1)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)O2 ZINC000584626487 337376023 /nfs/dbraw/zinc/37/60/23/337376023.db2.gz OQHNOBOHONGKTD-AWEZNQCLSA-N 0 0 323.270 3.786 10 0 DHAERN CCCCN(CCCC)N1C(=O)CC2(CCCCC2)CC1=O ZINC000584630989 337376835 /nfs/dbraw/zinc/37/68/35/337376835.db2.gz GRIFPJCGSKEEDG-UHFFFAOYSA-N 0 0 308.466 3.903 10 0 DHAERN CC[C@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584631921 337377034 /nfs/dbraw/zinc/37/70/34/337377034.db2.gz FDQORDHZYVKJNK-JTQLQIEISA-N 0 0 304.777 3.636 10 0 DHAERN N=C1N[C@](CF)(c2cc(Br)ccc2F)C=CS1 ZINC000584636009 337377485 /nfs/dbraw/zinc/37/74/85/337377485.db2.gz ACMYSZUHBFOBSC-LLVKDONJSA-N 0 0 319.174 3.538 10 0 DHAERN COC(=O)c1csc([C@H](C)C2CCC3(CC2)OCCO3)c1C ZINC000584641280 337380068 /nfs/dbraw/zinc/38/00/68/337380068.db2.gz CHNJASFOEOGRMP-LLVKDONJSA-N 0 0 324.442 3.880 10 0 DHAERN CC(C)(C)OC(=O)OC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000584644137 337380284 /nfs/dbraw/zinc/38/02/84/337380284.db2.gz SXFFKBZQVUWVDE-GFCCVEGCSA-N 0 0 315.410 3.728 10 0 DHAERN CCOC(=O)C(=Cc1ccc(C2CCCC2)cc1)C(=O)OCC ZINC000584650381 337380720 /nfs/dbraw/zinc/38/07/20/337380720.db2.gz DWSVMSSGWVCZDZ-UHFFFAOYSA-N 0 0 316.397 3.854 10 0 DHAERN CC(C)(C)OC(=O)N1CCCC=C1[S@@](=O)c1ccccc1 ZINC000584653311 337381275 /nfs/dbraw/zinc/38/12/75/337381275.db2.gz YZOOIAXDFKBMNU-NRFANRHFSA-N 0 0 307.415 3.667 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCCC(C)(C)C ZINC000105851104 337386886 /nfs/dbraw/zinc/38/68/86/337386886.db2.gz LOVXQGRYZFDSOI-HNNXBMFYSA-N 0 0 305.466 3.917 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000105853041 337386887 /nfs/dbraw/zinc/38/68/87/337386887.db2.gz MVOGWODHNZHNME-INIZCTEOSA-N 0 0 303.450 3.579 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cccc(F)c1F ZINC000106208917 337387148 /nfs/dbraw/zinc/38/71/48/337387148.db2.gz QZFKCZBXLGBSHF-OAHLLOKOSA-N 0 0 305.372 3.652 10 0 DHAERN O=C(c1ccc(-n2cccc2)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888098 337391304 /nfs/dbraw/zinc/39/13/04/337391304.db2.gz BJPNTLULKCALQK-SFHVURJKSA-N 0 0 320.396 3.568 10 0 DHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116039871 337392166 /nfs/dbraw/zinc/39/21/66/337392166.db2.gz IUYSBORTBYRHGR-CYBMUJFWSA-N 0 0 307.296 3.858 10 0 DHAERN CCSc1ccc(C(=O)N2CCC[C@H]2c2ccco2)cn1 ZINC000116047266 337392217 /nfs/dbraw/zinc/39/22/17/337392217.db2.gz GCIQJBMSVVKQJA-ZDUSSCGKSA-N 0 0 302.399 3.764 10 0 DHAERN CCC[C@H](CC1CCCC1)C(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116111359 337392318 /nfs/dbraw/zinc/39/23/18/337392318.db2.gz SHVUYIUNFOYDFL-IAGOWNOFSA-N 0 0 317.477 3.733 10 0 DHAERN CC[C@H](CC1CCCCC1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116121775 337392334 /nfs/dbraw/zinc/39/23/34/337392334.db2.gz QGJWATQOQYIUIR-SJORKVTESA-N 0 0 317.477 3.733 10 0 DHAERN CC(C)Cc1nnc(NC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116477443 337392713 /nfs/dbraw/zinc/39/27/13/337392713.db2.gz DNABADYUOUAABO-LLVKDONJSA-N 0 0 320.418 3.699 10 0 DHAERN O=C(NCc1ccccc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116406156 337392740 /nfs/dbraw/zinc/39/27/40/337392740.db2.gz GOBHXHNZZGQAMO-AWEZNQCLSA-N 0 0 304.777 3.980 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116418496 337392748 /nfs/dbraw/zinc/39/27/48/337392748.db2.gz KBRXMOLOMXXJOE-TZMCWYRMSA-N 0 0 304.415 3.819 10 0 DHAERN Cc1ccc(CCC(=O)N2CCC(c3nccs3)CC2)cc1 ZINC000040666009 337398754 /nfs/dbraw/zinc/39/87/54/337398754.db2.gz IDXQMCNDLYCYOY-UHFFFAOYSA-N 0 0 314.454 3.790 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000123536802 337399834 /nfs/dbraw/zinc/39/98/34/337399834.db2.gz AUNZNPMMDZLTIH-MAUKXSAKSA-N 0 0 323.440 3.660 10 0 DHAERN C[C@@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccncc1 ZINC000043185965 337409985 /nfs/dbraw/zinc/40/99/85/337409985.db2.gz PNBFIIODSMIDAY-KDOFPFPSSA-N 0 0 321.380 3.824 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)O1 ZINC000125225345 337410033 /nfs/dbraw/zinc/41/00/33/337410033.db2.gz KPCMSBZZDOLHHW-PXAZEXFGSA-N 0 0 321.380 3.736 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccccc3)C2)n1 ZINC000126815233 337417942 /nfs/dbraw/zinc/41/79/42/337417942.db2.gz URPXJLIIMROSNW-GOEBONIOSA-N 0 0 314.454 3.961 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000127764015 337422266 /nfs/dbraw/zinc/42/22/66/337422266.db2.gz XCGJCTCZIBODAB-SJORKVTESA-N 0 0 300.402 3.800 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000127763827 337422296 /nfs/dbraw/zinc/42/22/96/337422296.db2.gz XCGJCTCZIBODAB-IAGOWNOFSA-N 0 0 300.402 3.800 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(Cl)cn2C)o1 ZINC000129098397 337428185 /nfs/dbraw/zinc/42/81/85/337428185.db2.gz BEVDTHXJWGNQBK-CYBMUJFWSA-N 0 0 306.793 3.947 10 0 DHAERN C[C@@]1(C(=O)Nc2cccc(-c3cnco3)c2)CC1(Cl)Cl ZINC000048241973 337433029 /nfs/dbraw/zinc/43/30/29/337433029.db2.gz ZCBNUPYDUOXVCS-ZDUSSCGKSA-N 0 0 311.168 3.864 10 0 DHAERN Cc1cc(C)c([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142374 337436494 /nfs/dbraw/zinc/43/64/94/337436494.db2.gz UJRDPLIZJCWELC-CVEARBPZSA-N 0 0 312.461 3.951 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000194243840 337462019 /nfs/dbraw/zinc/46/20/19/337462019.db2.gz JXMQIXRHLCJJLB-HZPDHXFCSA-N 0 0 317.477 3.825 10 0 DHAERN CCOc1ccc(NC(=O)N[C@@H]2COc3ccccc32)c(C)c1 ZINC000194740394 337463496 /nfs/dbraw/zinc/46/34/96/337463496.db2.gz RYBXHGPZXBDCTL-MRXNPFEDSA-N 0 0 312.369 3.649 10 0 DHAERN Cc1csc([C@H]2CN([C@@H](C)c3ccc(F)cc3F)CCO2)n1 ZINC000195397064 337466477 /nfs/dbraw/zinc/46/64/77/337466477.db2.gz CVQICXAYYBDJND-XHDPSFHLSA-N 0 0 324.396 3.864 10 0 DHAERN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000195247908 337467437 /nfs/dbraw/zinc/46/74/37/337467437.db2.gz HBXISBWBTYOYNX-ARFHVFGLSA-N 0 0 314.360 3.821 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1Cl ZINC000245974472 337500761 /nfs/dbraw/zinc/50/07/61/337500761.db2.gz GAOVYNJZXJFFQQ-JRKPZEMJSA-N 0 0 302.201 3.738 10 0 DHAERN Brc1ccccc1CN[C@@H]1COc2ccccc21 ZINC000070070203 337546276 /nfs/dbraw/zinc/54/62/76/337546276.db2.gz RMDQWIPZSSQCMG-CQSZACIVSA-N 0 0 304.187 3.672 10 0 DHAERN O=C(N[C@H]1CC=CCC1)N1CCC(Nc2ccccc2F)CC1 ZINC000074333419 337551826 /nfs/dbraw/zinc/55/18/26/337551826.db2.gz MCPDZWADNGUIRR-AWEZNQCLSA-N 0 0 317.408 3.520 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000247147217 337558097 /nfs/dbraw/zinc/55/80/97/337558097.db2.gz RGLJFWFAQXECQU-COXVUDFISA-N 0 0 310.445 3.904 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C3CCCCC3)C2)c1 ZINC000247426795 337559584 /nfs/dbraw/zinc/55/95/84/337559584.db2.gz OJOMEOUOIYMJDY-SQNIBIBYSA-N 0 0 315.461 3.571 10 0 DHAERN C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C1 ZINC000247569134 337560492 /nfs/dbraw/zinc/56/04/92/337560492.db2.gz LGSJCXARCVOILM-QKPAOTATSA-N 0 0 305.418 3.520 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)CC(C)(C)C1 ZINC000248528632 337564319 /nfs/dbraw/zinc/56/43/19/337564319.db2.gz DMCQODCTXBDVFZ-FMKPAKJESA-N 0 0 303.450 3.926 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCO[C@@H](c3nccs3)C2)CC(C)(C)C1 ZINC000248539345 337564460 /nfs/dbraw/zinc/56/44/60/337564460.db2.gz HTBJHLIPMKNYTP-HZSPNIEDSA-N 0 0 322.474 3.505 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3ccco3)C2)cc1 ZINC000078186725 337592179 /nfs/dbraw/zinc/59/21/79/337592179.db2.gz OWVLIFIQIYARKM-GDBMZVCRSA-N 0 0 313.397 3.625 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3CCCCC3)C2)cc1 ZINC000078186879 337592266 /nfs/dbraw/zinc/59/22/66/337592266.db2.gz YUIWJRFQWZMMMK-WMLDXEAASA-N 0 0 301.430 3.980 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccs3)C2)cc1 ZINC000078187888 337592286 /nfs/dbraw/zinc/59/22/86/337592286.db2.gz MDPOQSJIKCTJKL-TZMCWYRMSA-N 0 0 301.411 3.775 10 0 DHAERN CCC[C@@H](NC(=O)[C@@H](C)c1ccccc1F)C(=O)OC(C)(C)C ZINC000161555941 337592710 /nfs/dbraw/zinc/59/27/10/337592710.db2.gz FHTSCMQQSKPMAU-SWLSCSKDSA-N 0 0 323.408 3.556 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000253352422 337600545 /nfs/dbraw/zinc/60/05/45/337600545.db2.gz OOWQNNRTBHCYRJ-MELADBBJSA-N 0 0 324.490 3.909 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)CCc1cc2ccccc2o1 ZINC000261881820 337612062 /nfs/dbraw/zinc/61/20/62/337612062.db2.gz RCEHOBNAYQWJOR-UHFFFAOYSA-N 0 0 320.392 3.927 10 0 DHAERN CCCOC1(C[NH2+]Cc2cccc(C(=O)[O-])c2)CCCCC1 ZINC000263405866 337628038 /nfs/dbraw/zinc/62/80/38/337628038.db2.gz JQSDRRJLFNCSBY-UHFFFAOYSA-N 0 0 305.418 3.604 10 0 DHAERN O=C([O-])c1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 ZINC000263421173 337628560 /nfs/dbraw/zinc/62/85/60/337628560.db2.gz OXVQRCHDWUXWSF-KBPBESRZSA-N 0 0 315.335 3.843 10 0 DHAERN CC(C)[C@@H](O)Cc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000162534835 337635232 /nfs/dbraw/zinc/63/52/32/337635232.db2.gz SZOHPAIVWKTPCO-KRWDZBQOSA-N 0 0 308.381 3.963 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000045683203 337826772 /nfs/dbraw/zinc/82/67/72/337826772.db2.gz PJLXJMXCQLMMOI-ZYHUDNBSSA-N 0 0 316.854 3.501 10 0 DHAERN C[C@@H](NC(=O)N[C@H]1CCc2cc(F)ccc21)c1cccs1 ZINC000056839113 337852656 /nfs/dbraw/zinc/85/26/56/337852656.db2.gz SUSZWGVKONHCSG-YGRLFVJLSA-N 0 0 304.390 3.935 10 0 DHAERN COCCCCCNC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000058584473 337876624 /nfs/dbraw/zinc/87/66/24/337876624.db2.gz RHFBVOKWOIMGLY-OAHLLOKOSA-N 0 0 306.450 3.987 10 0 DHAERN Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)o1 ZINC000090202354 337879157 /nfs/dbraw/zinc/87/91/57/337879157.db2.gz MZUXBEQHOXSCHH-CQSZACIVSA-N 0 0 303.749 3.504 10 0 DHAERN Cc1ccccc1[C@@H]1CCCN1C(=O)C[C@H](O)c1ccccc1 ZINC000091170884 337890175 /nfs/dbraw/zinc/89/01/75/337890175.db2.gz MQSLXLFQJWDBSE-OALUTQOASA-N 0 0 309.409 3.782 10 0 DHAERN CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1C ZINC000121740316 337898571 /nfs/dbraw/zinc/89/85/71/337898571.db2.gz ABAJGNOZAKEHQE-NSHDSACASA-N 0 0 316.376 3.773 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2F)C2CCCC2)O1 ZINC000121835636 337901789 /nfs/dbraw/zinc/90/17/89/337901789.db2.gz DHVOVQCPKISETJ-CSMYWGQOSA-N 0 0 305.393 3.741 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C(C)(C)CC(C)C)cc1OC ZINC000084524147 338003125 /nfs/dbraw/zinc/00/31/25/338003125.db2.gz ZSPCJPWUUKGULY-ZDUSSCGKSA-N 0 0 307.434 3.953 10 0 DHAERN C[C@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@H](C)O1 ZINC000084676673 338004490 /nfs/dbraw/zinc/00/44/90/338004490.db2.gz NEZYXOIKEKKMSB-GJZGRUSLSA-N 0 0 316.470 3.538 10 0 DHAERN Fc1cccc(CN[C@@H]2COc3ccccc32)c1Br ZINC000156762353 338383247 /nfs/dbraw/zinc/38/32/47/338383247.db2.gz LGRCEOQCYYDBAW-CYBMUJFWSA-N 0 0 322.177 3.812 10 0 DHAERN C[C@H](NCC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000164067596 338878508 /nfs/dbraw/zinc/87/85/08/338878508.db2.gz AKWSGKFUUAJGNY-VIFPVBQESA-N 0 0 304.217 3.986 10 0 DHAERN Cc1cccnc1/C=C\C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000492625418 339905578 /nfs/dbraw/zinc/90/55/78/339905578.db2.gz WEKBVJRNOKPGJM-QXPKXGMISA-N 0 0 322.408 3.822 10 0 DHAERN Fc1ccc(Br)c(F)c1CN1C[C@@H]2CCC[C@@H]21 ZINC000500984310 340071158 /nfs/dbraw/zinc/07/11/58/340071158.db2.gz NOKUAVVDSTWWSM-UFBFGSQYSA-N 0 0 302.162 3.712 10 0 DHAERN C[C@H]1CCN(C[C@H](O)COCc2ccccc2)c2ccccc21 ZINC000303422244 340325128 /nfs/dbraw/zinc/32/51/28/340325128.db2.gz CSJWDORRZXBFMF-WMZOPIPTSA-N 0 0 311.425 3.578 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(Cl)s1 ZINC000172959466 340350032 /nfs/dbraw/zinc/35/00/32/340350032.db2.gz IOUYZYDQMUFQJT-NSHDSACASA-N 0 0 309.818 3.737 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cc2c(s1)CCC2 ZINC000172975705 340350947 /nfs/dbraw/zinc/35/09/47/340350947.db2.gz XNQNAVFKIRGJAF-CYBMUJFWSA-N 0 0 315.438 3.572 10 0 DHAERN CCc1ccc([C@H](COC)NC(=O)N[C@@H](C)c2cccs2)o1 ZINC000173509206 340366499 /nfs/dbraw/zinc/36/64/99/340366499.db2.gz RXIYMWQWQAIEOB-AAEUAGOBSA-N 0 0 322.430 3.651 10 0 DHAERN Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3COc4ccccc43)c2c1 ZINC000174379537 340387209 /nfs/dbraw/zinc/38/72/09/340387209.db2.gz QBBYRZWAMJNHCI-GOSISDBHSA-N 0 0 320.392 3.659 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCC(C)(C)C[C@@H](C)O)cc1 ZINC000174554171 340391485 /nfs/dbraw/zinc/39/14/85/340391485.db2.gz QNGSRONABFKUAX-HUUCEWRRSA-N 0 0 320.477 3.967 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000174743979 340395533 /nfs/dbraw/zinc/39/55/33/340395533.db2.gz VELFAZHUICHOEM-GJZGRUSLSA-N 0 0 306.475 3.855 10 0 DHAERN C[C@@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccs1 ZINC000174822007 340396859 /nfs/dbraw/zinc/39/68/59/340396859.db2.gz GZIBFVJZRJFFTA-QWHCGFSZSA-N 0 0 300.427 3.966 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@H]1C)c1cccc(Br)c1 ZINC000174898206 340398897 /nfs/dbraw/zinc/39/88/97/340398897.db2.gz XBFYRGYDPXCQKS-GHMZBOCLSA-N 0 0 311.223 3.704 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000174948385 340399946 /nfs/dbraw/zinc/39/99/46/340399946.db2.gz RZAZFPMWGUMWTE-JQHSSLGASA-N 0 0 318.461 3.525 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)CSC)o1 ZINC000175085854 340402784 /nfs/dbraw/zinc/40/27/84/340402784.db2.gz GSLZGBKVGWAREH-OCCSQVGLSA-N 0 0 310.463 3.830 10 0 DHAERN CCC[C@H]1CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000177120678 340436413 /nfs/dbraw/zinc/43/64/13/340436413.db2.gz NPNNWBQDUYKYNB-HOCLYGCPSA-N 0 0 302.418 3.732 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCOc3ncccc32)cc1 ZINC000177236287 340437916 /nfs/dbraw/zinc/43/79/16/340437916.db2.gz MQGBKGRCDYMDAJ-DLBZAZTESA-N 0 0 322.408 3.734 10 0 DHAERN CCc1cnc(CN(C)C(=O)NC2CCC(CC)CC2)s1 ZINC000177393985 340440050 /nfs/dbraw/zinc/44/00/50/340440050.db2.gz SAIKQLXTOKIEMH-UHFFFAOYSA-N 0 0 309.479 3.816 10 0 DHAERN CC(C)C[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000185517620 340502266 /nfs/dbraw/zinc/50/22/66/340502266.db2.gz TVGVVHFKTGEQKI-TZMCWYRMSA-N 0 0 301.352 3.958 10 0 DHAERN CCO[C@@H]1C[C@H](Nc2cccc([C@@H](C)OC)c2)C12CCOCC2 ZINC000186485350 340513505 /nfs/dbraw/zinc/51/35/05/340513505.db2.gz LDZTVYCIXSYQAA-FHLIZLRMSA-N 0 0 319.445 3.780 10 0 DHAERN CC[C@H](CN(CC)C(=O)N[C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000187318910 340519083 /nfs/dbraw/zinc/51/90/83/340519083.db2.gz NVTCYZMVAHLTTG-NUJGCVRESA-N 0 0 318.461 3.779 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000189062777 340525820 /nfs/dbraw/zinc/52/58/20/340525820.db2.gz QUUUQVCNNWHYON-QGTPRVQTSA-N 0 0 301.430 3.849 10 0 DHAERN CCOC(=O)c1sc2c(ccnc2Br)c1Cl ZINC000309372902 340532043 /nfs/dbraw/zinc/53/20/43/340532043.db2.gz SZDUYCVGGLZWLI-UHFFFAOYSA-N 0 0 320.595 3.889 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000191391836 340553824 /nfs/dbraw/zinc/55/38/24/340553824.db2.gz IEGIISRJMPQQIM-KNXALSJPSA-N 0 0 307.821 3.722 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cnc3onc(C(C)C)c3c2)o1 ZINC000192817602 340570108 /nfs/dbraw/zinc/57/01/08/340570108.db2.gz NSXHFPXHZYKPDD-NSHDSACASA-N 0 0 313.357 3.739 10 0 DHAERN CCN(C(=O)[C@@H](C)N[C@@H](C)c1ccc(C)o1)C1CCCCC1 ZINC000194021959 340588178 /nfs/dbraw/zinc/58/81/78/340588178.db2.gz GNHPZSUNCAUPRT-LSDHHAIUSA-N 0 0 306.450 3.808 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@H]1CCCCC1(C)C)C2 ZINC000194106692 340589064 /nfs/dbraw/zinc/58/90/64/340589064.db2.gz VVZQJFXBYAESDZ-CQSZACIVSA-N 0 0 317.477 3.645 10 0 DHAERN CC(C)Oc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000194734793 340595572 /nfs/dbraw/zinc/59/55/72/340595572.db2.gz VQPULXGNVDSIQN-MRXNPFEDSA-N 0 0 312.369 3.729 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1cc(Cl)cc2cccnc21 ZINC000194889139 340596951 /nfs/dbraw/zinc/59/69/51/340596951.db2.gz JXWYXALMVKHZAO-HNNXBMFYSA-N 0 0 324.767 3.752 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(Br)cc1F ZINC000230041997 340617697 /nfs/dbraw/zinc/61/76/97/340617697.db2.gz XZXPVNLPCJWOQS-SCZZXKLOSA-N 0 0 300.171 3.963 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1cccc(Br)c1F ZINC000233395877 340646070 /nfs/dbraw/zinc/64/60/70/340646070.db2.gz ZEARBBUYPVFHGF-KWQFWETISA-N 0 0 300.171 3.507 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)NCc2ccco2)cc1 ZINC000127756452 340856103 /nfs/dbraw/zinc/85/61/03/340856103.db2.gz JEDDAHQRPRTDAR-CQSZACIVSA-N 0 0 316.401 3.875 10 0 DHAERN O=C(N[C@H]1CCCC[C@H]1O)C1(c2cccc(Cl)c2)CCCC1 ZINC000130411517 341021112 /nfs/dbraw/zinc/02/11/12/341021112.db2.gz DPEWTKHSBFVESE-JKSUJKDBSA-N 0 0 321.848 3.572 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)CCOc2ccccc2)o1 ZINC000073017210 341112222 /nfs/dbraw/zinc/11/22/22/341112222.db2.gz OAELJBBWGKVMHJ-HIFRSBDPSA-N 0 0 301.386 3.870 10 0 DHAERN CCC(CC)(CCO)CNC(=O)N[C@H]1CCCc2ccccc21 ZINC000073432835 341116677 /nfs/dbraw/zinc/11/66/77/341116677.db2.gz CKAXLKYVPIKSKR-KRWDZBQOSA-N 0 0 318.461 3.552 10 0 DHAERN CC(C)OCCCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000132259004 341119479 /nfs/dbraw/zinc/11/94/79/341119479.db2.gz FSAAADZTFGFDHN-ROUUACIJSA-N 0 0 303.446 3.845 10 0 DHAERN CC(=O)N[C@H]1CCCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482758 341124285 /nfs/dbraw/zinc/12/42/85/341124285.db2.gz KOIJMYIVJIYLKW-GWCFXTLKSA-N 0 0 315.244 3.655 10 0 DHAERN CC(=O)Nc1cc(NC(=O)c2cccc3[nH]ccc32)ccc1C ZINC000132526146 341125784 /nfs/dbraw/zinc/12/57/84/341125784.db2.gz QAGHLWJEPASEGB-UHFFFAOYSA-N 0 0 307.353 3.687 10 0 DHAERN CCOCCC1(CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)CCC1 ZINC000132538696 341126611 /nfs/dbraw/zinc/12/66/11/341126611.db2.gz BFZPTYDPVMLXOC-SJORKVTESA-N 0 0 307.478 3.916 10 0 DHAERN COCCC1(CNC(=O)[C@H]2C[C@H]2C2CCCCC2)CCCC1 ZINC000133159653 341159055 /nfs/dbraw/zinc/15/90/55/341159055.db2.gz AVTULFRJASTZGL-IRXDYDNUSA-N 0 0 307.478 3.916 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133209054 341163590 /nfs/dbraw/zinc/16/35/90/341163590.db2.gz VDKNNPYEZAYKEM-HZPDHXFCSA-N 0 0 320.396 3.595 10 0 DHAERN C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)cc1Cl ZINC000133867686 341195218 /nfs/dbraw/zinc/19/52/18/341195218.db2.gz BVRJELKELAVZMO-JTQLQIEISA-N 0 0 307.752 3.605 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000076987208 341216579 /nfs/dbraw/zinc/21/65/79/341216579.db2.gz CKUASWVMZDLMNG-OKZBNKHCSA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(O)c2)cc1 ZINC000077001679 341216861 /nfs/dbraw/zinc/21/68/61/341216861.db2.gz YNYYKOZUGVBUTQ-RTBURBONSA-N 0 0 309.409 3.936 10 0 DHAERN CCc1cc(C)c(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)o1 ZINC000134898656 341226260 /nfs/dbraw/zinc/22/62/60/341226260.db2.gz YWOYPTQAFCETBZ-LBPRGKRZSA-N 0 0 317.385 3.659 10 0 DHAERN CCc1cnc([C@@H](C)Nc2c(F)c(F)nc(F)c2F)s1 ZINC000134999171 341228409 /nfs/dbraw/zinc/22/84/09/341228409.db2.gz MASJXONBSLFIMF-RXMQYKEDSA-N 0 0 305.300 3.830 10 0 DHAERN CCOc1cccc(CCNC(=O)N[C@@H](C)c2ccc(C)o2)c1 ZINC000136041132 341251388 /nfs/dbraw/zinc/25/13/88/341251388.db2.gz JYCPAXDCTVZOFL-AWEZNQCLSA-N 0 0 316.401 3.590 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)[C@@H]2OCCc3ccccc32)cc1 ZINC000136712921 341265735 /nfs/dbraw/zinc/26/57/35/341265735.db2.gz WNTPNCNATTVSOG-AUUYWEPGSA-N 0 0 309.409 3.740 10 0 DHAERN C[C@@H](CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F ZINC000081451705 341291212 /nfs/dbraw/zinc/29/12/12/341291212.db2.gz QGBQWKKSFMZCNM-STQMWFEESA-N 0 0 323.408 3.508 10 0 DHAERN C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C[C@H](C)O1 ZINC000245557701 341301668 /nfs/dbraw/zinc/30/16/68/341301668.db2.gz AXZQCGPBRVMSJY-VPKNTQAGSA-N 0 0 316.445 3.880 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N(C)[C@H]2CCSC2)c2ccccc21 ZINC000245632890 341306413 /nfs/dbraw/zinc/30/64/13/341306413.db2.gz FQPZNIDWIDFAME-WWGRRREGSA-N 0 0 304.459 3.772 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CCO1 ZINC000245662008 341308220 /nfs/dbraw/zinc/30/82/20/341308220.db2.gz FWHLQBRZOQOVAL-KGYLQXTDSA-N 0 0 313.800 3.862 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000245757131 341313507 /nfs/dbraw/zinc/31/35/07/341313507.db2.gz YUIOMBVHOJSFFT-XWSJACJDSA-N 0 0 315.457 3.533 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)C(c1ccccc1)c1ccccc1 ZINC000246020803 341322137 /nfs/dbraw/zinc/32/21/37/341322137.db2.gz MJBOODXHOUIXGV-GPMSIDNRSA-N 0 0 323.436 3.891 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000246132565 341328369 /nfs/dbraw/zinc/32/83/69/341328369.db2.gz VKJWSTJGFPTJLM-VIBAHUMZSA-N 0 0 301.430 3.945 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]23)o1 ZINC000246218733 341334787 /nfs/dbraw/zinc/33/47/87/341334787.db2.gz PBQYGACPIZOTDY-PWUKJLEFSA-N 0 0 310.397 3.677 10 0 DHAERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C[C@@H](O)C(C)C)cc1 ZINC000246240918 341337284 /nfs/dbraw/zinc/33/72/84/341337284.db2.gz HTWXFUNYKJBVEJ-SUMDDJOVSA-N 0 0 303.446 3.702 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000246411818 341347937 /nfs/dbraw/zinc/34/79/37/341347937.db2.gz RLJOFTKUWFQGJS-ZMLRMANQSA-N 0 0 322.380 3.711 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000247469455 341365491 /nfs/dbraw/zinc/36/54/91/341365491.db2.gz RZAZFPMWGUMWTE-KBAYOESNSA-N 0 0 318.461 3.525 10 0 DHAERN CCCOc1ccc(C(=O)N[C@H](C)C2CC2)cc1OCCC ZINC000248271808 341375195 /nfs/dbraw/zinc/37/51/95/341375195.db2.gz WDMIGDGHYLJLIJ-CYBMUJFWSA-N 0 0 305.418 3.793 10 0 DHAERN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(C(C)C)s1 ZINC000248500340 341378870 /nfs/dbraw/zinc/37/88/70/341378870.db2.gz SOHKILYSGFWELB-IHRRRGAJSA-N 0 0 322.474 3.573 10 0 DHAERN C[C@@H]1C[C@H](C(=O)NC[C@H](CCO)c2ccccc2)CC(C)(C)C1 ZINC000248529924 341379242 /nfs/dbraw/zinc/37/92/42/341379242.db2.gz DWPATTLZHFUTBW-NJAFHUGGSA-N 0 0 317.473 3.731 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)CCO1 ZINC000248606513 341381206 /nfs/dbraw/zinc/38/12/06/341381206.db2.gz VKVAJEYTQALLLZ-GFOCRRMGSA-N 0 0 301.430 3.550 10 0 DHAERN C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000249331240 341396508 /nfs/dbraw/zinc/39/65/08/341396508.db2.gz WTGBRGDNRFZYSA-VNQPRFMTSA-N 0 0 302.418 3.730 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000249475044 341398114 /nfs/dbraw/zinc/39/81/14/341398114.db2.gz JHRWQDVTPKINCK-JQHSSLGASA-N 0 0 301.430 3.864 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)C(C)(C)c1ccccc1 ZINC000249635619 341399980 /nfs/dbraw/zinc/39/99/80/341399980.db2.gz RZWZSZSIMCNKEC-UAGQMJEPSA-N 0 0 303.446 3.674 10 0 DHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@@H]1CCCO[C@H]1C ZINC000253350700 341454202 /nfs/dbraw/zinc/45/42/02/341454202.db2.gz AWURBJLUHQGMMM-CGTJXYLNSA-N 0 0 303.446 3.671 10 0 DHAERN CC(=O)[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2ccc(C)o2)C1(C)C ZINC000154356563 341588365 /nfs/dbraw/zinc/58/83/65/341588365.db2.gz XDACGAPEADWSGE-XHSDSOJGSA-N 0 0 317.429 3.893 10 0 DHAERN CC(C)[C@@H](O)CC(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000155690379 341611395 /nfs/dbraw/zinc/61/13/95/341611395.db2.gz WMPAOYVFMWTBGD-IBGZPJMESA-N 0 0 324.424 3.726 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(CC2CCCCC2)c2ccccn2)O1 ZINC000157508231 341639504 /nfs/dbraw/zinc/63/95/04/341639504.db2.gz NGUCBCGPWATPBJ-ZBFHGGJFSA-N 0 0 302.418 3.562 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[C@H]1c1ccccc1 ZINC000158862753 341665592 /nfs/dbraw/zinc/66/55/92/341665592.db2.gz PSWGXIJKXWSIDJ-IDCNUPLLSA-N 0 0 301.430 3.596 10 0 DHAERN O=C(NCCC1=CCCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000163443413 341698497 /nfs/dbraw/zinc/69/84/97/341698497.db2.gz RXCRFKPITCNFHC-QWHCGFSZSA-N 0 0 304.356 3.907 10 0 DHAERN COc1ccc([C@H](C)C(=O)NCCc2c(C)cccc2C)cc1 ZINC000165146538 341710122 /nfs/dbraw/zinc/71/01/22/341710122.db2.gz FYSDAVHACNAWIH-INIZCTEOSA-N 0 0 311.425 3.774 10 0 DHAERN O=C(Cc1cnc2ccccc2c1)N[C@@H]1CCCc2ccccc21 ZINC000118753581 518198991 /nfs/dbraw/zinc/19/89/91/518198991.db2.gz TXHCQPDQPQDULK-HXUWFJFHSA-N 0 0 316.404 3.971 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000109083600 518375696 /nfs/dbraw/zinc/37/56/96/518375696.db2.gz OHRJOVVHMNWSRZ-LSDHHAIUSA-N 0 0 315.319 3.910 10 0 DHAERN C/C(=C\C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000172119173 518421625 /nfs/dbraw/zinc/42/16/25/518421625.db2.gz WBJYLRQBIDVTKM-JIIJFUIFSA-N 0 0 313.376 3.706 10 0 DHAERN CCC1CCC(NC(=O)N(CC)CCc2nccs2)CC1 ZINC000162059542 519854996 /nfs/dbraw/zinc/85/49/96/519854996.db2.gz LDGOSWOCKUVXLR-UHFFFAOYSA-N 0 0 309.479 3.686 10 0 DHAERN CCC1CCC(NC(=O)c2csc([C@@H]3CCCO3)n2)CC1 ZINC000162886669 519856561 /nfs/dbraw/zinc/85/65/61/519856561.db2.gz NYAGMUNRZNNJOR-YIZWMMSDSA-N 0 0 308.447 3.693 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)NCC3CC3)C2)n1 ZINC000174762458 519856752 /nfs/dbraw/zinc/85/67/52/519856752.db2.gz BDQGZXPVOGXIAA-CYBMUJFWSA-N 0 0 307.463 3.566 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)c2cccc3cc[nH]c32)no1 ZINC000173593282 519867407 /nfs/dbraw/zinc/86/74/07/519867407.db2.gz BCVUSQAHGXRTJL-AWEZNQCLSA-N 0 0 324.384 3.652 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)CCc2ccsc2)no1 ZINC000173451997 519867927 /nfs/dbraw/zinc/86/79/27/519867927.db2.gz QPHSDRFEFQFKJJ-CYBMUJFWSA-N 0 0 319.430 3.551 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2ccc3ccccc3c2)n1C ZINC000181507946 519887762 /nfs/dbraw/zinc/88/77/62/519887762.db2.gz JDMXBRUMPBBJNX-CQSZACIVSA-N 0 0 308.429 3.943 10 0 DHAERN CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000109103676 520031226 /nfs/dbraw/zinc/03/12/26/520031226.db2.gz IMJURWIKWWRUKY-ZIAGYGMSSA-N 0 0 302.324 3.516 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2cc(Cl)ccn2)C12CCCC2 ZINC000134164459 520562739 /nfs/dbraw/zinc/56/27/39/520562739.db2.gz FVJKBRFWJJNCRD-GJZGRUSLSA-N 0 0 322.836 3.545 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154964433 521030035 /nfs/dbraw/zinc/03/00/35/521030035.db2.gz GQGLFHYTNMHCBE-CQSZACIVSA-N 0 0 306.454 3.515 10 0 DHAERN CCCc1nnc(NCc2cc(C(F)(F)F)ccc2F)o1 ZINC000181678088 521566584 /nfs/dbraw/zinc/56/65/84/521566584.db2.gz UGHBOSSOTJCCBH-UHFFFAOYSA-N 0 0 303.259 3.792 10 0 DHAERN CCCn1cc(CN[C@H](C)c2ccccc2Br)cn1 ZINC000116912143 521652717 /nfs/dbraw/zinc/65/27/17/521652717.db2.gz YOZMQLMBGFXOMK-GFCCVEGCSA-N 0 0 322.250 3.906 10 0 DHAERN CCc1ccccc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000192429132 521807583 /nfs/dbraw/zinc/80/75/83/521807583.db2.gz RCGJYPWMWDXRLQ-OAHLLOKOSA-N 0 0 313.401 3.733 10 0 DHAERN CCc1ccccc1NC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111709068 521886787 /nfs/dbraw/zinc/88/67/87/521886787.db2.gz GOVYQIZPYSAPFZ-MRXNPFEDSA-N 0 0 312.417 3.623 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 ZINC000103430965 522176315 /nfs/dbraw/zinc/17/63/15/522176315.db2.gz ILMSKUAKHQKJNP-CQSZACIVSA-N 0 0 323.396 3.531 10 0 DHAERN CCc1nc(CNC(=O)N[C@H](C)c2ccc(CC)cc2)cs1 ZINC000107725111 522334979 /nfs/dbraw/zinc/33/49/79/522334979.db2.gz AQAXVTUGHZASPT-GFCCVEGCSA-N 0 0 317.458 3.828 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1csc(Cl)c1 ZINC000191337051 522513796 /nfs/dbraw/zinc/51/37/96/522513796.db2.gz IADUQPQFVIAEHE-KOLCDFICSA-N 0 0 310.854 3.741 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccccc1F ZINC000180744550 522518346 /nfs/dbraw/zinc/51/83/46/522518346.db2.gz VSKZSWPCVDUGDR-LSDHHAIUSA-N 0 0 302.397 3.555 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1cccc(F)c1 ZINC000188132094 522519495 /nfs/dbraw/zinc/51/94/95/522519495.db2.gz NHKYQMPRHNNPOF-LSDHHAIUSA-N 0 0 302.397 3.555 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190760142 522523015 /nfs/dbraw/zinc/52/30/15/522523015.db2.gz SLRHLTCWMVFKHA-DTWKUNHWSA-N 0 0 318.200 3.756 10 0 DHAERN COc1cc(F)c(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1F ZINC000155805264 522574775 /nfs/dbraw/zinc/57/47/75/522574775.db2.gz AETFRKVDTGWOGK-VIFPVBQESA-N 0 0 310.300 3.758 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000130850870 522598599 /nfs/dbraw/zinc/59/85/99/522598599.db2.gz XRDKLEVEUPBQGM-INIZCTEOSA-N 0 0 312.417 3.623 10 0 DHAERN CCc1ncsc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127919684 522621561 /nfs/dbraw/zinc/62/15/61/522621561.db2.gz OWUPCWXDJGFMEQ-RKDXNWHRSA-N 0 0 306.353 3.556 10 0 DHAERN CC[C@H](NCc1nnc(C2CC2)n1C)c1cccc(Cl)c1 ZINC000182584411 522675382 /nfs/dbraw/zinc/67/53/82/522675382.db2.gz ZDLIVVCKNJWEDB-AWEZNQCLSA-N 0 0 304.825 3.587 10 0 DHAERN CCc1nnc(CN[C@H](c2ccccc2C)C(C)(C)C)n1C ZINC000180083682 522747339 /nfs/dbraw/zinc/74/73/39/522747339.db2.gz JGQQWQCDHFNRBG-QGZVFWFLSA-N 0 0 300.450 3.563 10 0 DHAERN CCn1c(C)nnc1CNC(C)(c1ccccc1)c1ccccc1 ZINC000182185313 523152508 /nfs/dbraw/zinc/15/25/08/523152508.db2.gz HKGFDRGSPBVHCZ-UHFFFAOYSA-N 0 0 320.440 3.660 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000154623046 523156508 /nfs/dbraw/zinc/15/65/08/523156508.db2.gz XCWZCHBUSICTGG-LJQANCHMSA-N 0 0 324.403 3.625 10 0 DHAERN CCn1cc([C@@H]2CN(Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702658 523465669 /nfs/dbraw/zinc/46/56/69/523465669.db2.gz BVFPTGPBWMGFQA-FQEVSTJZSA-N 0 0 321.424 3.630 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608184 523486406 /nfs/dbraw/zinc/48/64/06/523486406.db2.gz BVKMVYQCIKBPIF-STQMWFEESA-N 0 0 317.433 3.925 10 0 DHAERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1C ZINC000172816105 523653915 /nfs/dbraw/zinc/65/39/15/523653915.db2.gz GDQWEJJXDZEFKE-QWHCGFSZSA-N 0 0 319.355 3.540 10 0 DHAERN CO[C@H](C)c1noc(CN[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405488 523923152 /nfs/dbraw/zinc/92/31/52/523923152.db2.gz IWFVNPBKROLQAE-UONOGXRCSA-N 0 0 317.433 3.826 10 0 DHAERN CCc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000159120599 523981577 /nfs/dbraw/zinc/98/15/77/523981577.db2.gz QIJLYCCMYWEJQK-KDOFPFPSSA-N 0 0 320.408 3.547 10 0 DHAERN COc1ccc(CN(C)C(=O)N[C@H](C)c2cccs2)cc1C ZINC000171455075 523996366 /nfs/dbraw/zinc/99/63/66/523996366.db2.gz GYLDGDIVIZQYAR-CYBMUJFWSA-N 0 0 318.442 3.968 10 0 DHAERN Cc1ccc2ncnc(N3CCC[C@@H]3c3noc(C(C)C)n3)c2c1 ZINC000181009499 524084848 /nfs/dbraw/zinc/08/48/48/524084848.db2.gz ZMSATWHHVBKKJG-OAHLLOKOSA-N 0 0 323.400 3.786 10 0 DHAERN Cc1cc(C)c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 ZINC000151540866 524297461 /nfs/dbraw/zinc/29/74/61/524297461.db2.gz DSCDYKCSLHQUQB-VQIMIIECSA-N 0 0 316.445 3.771 10 0 DHAERN Cc1ccc(CN(C(=O)[C@H]2CC[C@@H](C)O2)c2ccc(F)cc2)o1 ZINC000153817353 524359029 /nfs/dbraw/zinc/35/90/29/524359029.db2.gz FTNVFAAJFRTPAE-CXAGYDPISA-N 0 0 317.360 3.828 10 0 DHAERN Cc1ccc(CN(C(=O)[C@H]2CC[C@H](C)O2)c2ccc(F)cc2)o1 ZINC000153817180 524359067 /nfs/dbraw/zinc/35/90/67/524359067.db2.gz FTNVFAAJFRTPAE-SUMWQHHRSA-N 0 0 317.360 3.828 10 0 DHAERN COc1ccccc1CCCn1c2ccccc2nc1[C@H](C)O ZINC000181507046 524404349 /nfs/dbraw/zinc/40/43/49/524404349.db2.gz IXXJDJIEOPAXHD-AWEZNQCLSA-N 0 0 310.397 3.731 10 0 DHAERN Cc1cc(C)n(Cc2cccc(CNc3cccc(C)n3)c2)n1 ZINC000157130595 524540819 /nfs/dbraw/zinc/54/08/19/524540819.db2.gz MEBPGDOXLPBFKT-UHFFFAOYSA-N 0 0 306.413 3.864 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)O1 ZINC000157125919 524628492 /nfs/dbraw/zinc/62/84/92/524628492.db2.gz UJOKFNGZQXGRFW-BXKDBHETSA-N 0 0 303.736 3.506 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000171739694 524752585 /nfs/dbraw/zinc/75/25/85/524752585.db2.gz GQIPAVJFCWDHCZ-HONMWMINSA-N 0 0 321.392 3.877 10 0 DHAERN Cc1cc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000133778074 524882309 /nfs/dbraw/zinc/88/23/09/524882309.db2.gz GGGKGEDMDKXLSH-OAHLLOKOSA-N 0 0 303.793 3.739 10 0 DHAERN C[C@H](NC(=O)C1=CCCCCC1)c1ccc2c(c1)OCCO2 ZINC000185352048 524903139 /nfs/dbraw/zinc/90/31/39/524903139.db2.gz MOIMDUKCVGVESZ-ZDUSSCGKSA-N 0 0 301.386 3.526 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000191630351 525014426 /nfs/dbraw/zinc/01/44/26/525014426.db2.gz AAHYZAYSEHQQSZ-DYVFJYSZSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000189958505 525014965 /nfs/dbraw/zinc/01/49/65/525014965.db2.gz ZLEFHUJYLQKJJE-CJNGLKHVSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000191488737 525017593 /nfs/dbraw/zinc/01/75/93/525017593.db2.gz ZJIODRSWBOSEEH-NXEZZACHSA-N 0 0 308.428 3.625 10 0 DHAERN Cc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1-c1ncco1 ZINC000161808246 525136119 /nfs/dbraw/zinc/13/61/19/525136119.db2.gz XZPCVOPGUQQNOM-LBPRGKRZSA-N 0 0 317.414 3.619 10 0 DHAERN C[C@@H](NC(=O)N1CCOC2(CCCCC2)C1)c1cccs1 ZINC000174820093 525171429 /nfs/dbraw/zinc/17/14/29/525171429.db2.gz PHZRCTVUHIRDBS-CYBMUJFWSA-N 0 0 308.447 3.554 10 0 DHAERN Cc1cc(NCc2nc3cc(C(F)(F)F)ccc3n2C)no1 ZINC000181463571 525281409 /nfs/dbraw/zinc/28/14/09/525281409.db2.gz UDJZSPRQVMSNQV-UHFFFAOYSA-N 0 0 310.279 3.501 10 0 DHAERN C[C@@H](NC(=O)c1cc[nH]c1)c1c(Cl)ccc(F)c1Cl ZINC000109258704 525318062 /nfs/dbraw/zinc/31/80/62/525318062.db2.gz HCRWAKMTICQARS-SSDOTTSWSA-N 0 0 301.148 3.952 10 0 DHAERN Cc1ccccc1[C@H](C)CC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000116191129 525401406 /nfs/dbraw/zinc/40/14/06/525401406.db2.gz PMFLXJLVIPBACC-CRAIPNDOSA-N 0 0 311.429 3.586 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1c(Cl)n(C)nc1C(C)C ZINC000130633492 525412777 /nfs/dbraw/zinc/41/27/77/525412777.db2.gz ZLQVWDIKJLCJSF-LBPRGKRZSA-N 0 0 319.836 3.996 10 0 DHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCc2c(N)cccc21 ZINC000237682096 525446780 /nfs/dbraw/zinc/44/67/80/525446780.db2.gz DCQFHJGRGZIPJH-IAGOWNOFSA-N 0 0 306.409 3.660 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000188058711 525554855 /nfs/dbraw/zinc/55/48/55/525554855.db2.gz CLAZJRHOAZUXPI-VBNZEHGJSA-N 0 0 307.821 3.819 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Oc1ccc(Oc2nccs2)cc1 ZINC000192244197 525561068 /nfs/dbraw/zinc/56/10/68/525561068.db2.gz NSPOYYYOIMDESG-SMDDNHRTSA-N 0 0 319.382 3.656 10 0 DHAERN C[C@@H](NCc1nnc(C2CC2)n1C)c1cccc2ccccc21 ZINC000181649202 525566047 /nfs/dbraw/zinc/56/60/47/525566047.db2.gz WLBGODYLXCCXQF-CYBMUJFWSA-N 0 0 306.413 3.697 10 0 DHAERN Cc1ccc([C@@H](C)NCC(=O)N(c2ccccc2)C(C)C)o1 ZINC000183066242 525722408 /nfs/dbraw/zinc/72/24/08/525722408.db2.gz KHLDZQRZMBQBPI-OAHLLOKOSA-N 0 0 300.402 3.680 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)COCc2ccccc2)o1 ZINC000172667130 525797485 /nfs/dbraw/zinc/79/74/85/525797485.db2.gz YIPKAYYSXKMHJX-KRWDZBQOSA-N 0 0 313.397 3.858 10 0 DHAERN Cc1c(NC(=O)[C@@H]2CCCO[C@H]2C)cccc1C(F)(F)F ZINC000189372786 525853141 /nfs/dbraw/zinc/85/31/41/525853141.db2.gz MJZKLSCVPHSDRZ-WDEREUQCSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)/C=C/c2cncc(F)c2)o1 ZINC000127635510 525991455 /nfs/dbraw/zinc/99/14/55/525991455.db2.gz LIWFAHQADKYKFS-IQIBNGDESA-N 0 0 314.360 3.889 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2ccccc2O)o1 ZINC000127529676 525991853 /nfs/dbraw/zinc/99/18/53/525991853.db2.gz AHWLKPPSOUOYBW-MRXNPFEDSA-N 0 0 313.397 3.980 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H]2CC2(Cl)Cl)o1 ZINC000127816393 525993983 /nfs/dbraw/zinc/99/39/83/525993983.db2.gz XSJVYQVOZRTTKS-WDEREUQCSA-N 0 0 302.201 3.835 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCc2ccncc2C)o1 ZINC000188246108 525994234 /nfs/dbraw/zinc/99/42/34/525994234.db2.gz LFXDFQGTJPFCBO-MRXNPFEDSA-N 0 0 313.401 3.728 10 0 DHAERN C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817096 526028034 /nfs/dbraw/zinc/02/80/34/526028034.db2.gz YXQZZTNDBVYIMT-VDDIYKPWSA-N 0 0 302.201 3.707 10 0 DHAERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)[S@@](=O)CC1CCCCC1 ZINC000170979245 526097645 /nfs/dbraw/zinc/09/76/45/526097645.db2.gz HJKSAUBAKZJESQ-KIMHZCHSSA-N 0 0 321.486 3.581 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190558451 526172934 /nfs/dbraw/zinc/17/29/34/526172934.db2.gz RYDRKPASBHMEMR-PWSUYJOCSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cscn1)[C@@H](C)C2 ZINC000181919124 526202255 /nfs/dbraw/zinc/20/22/55/526202255.db2.gz JWQAUUNPXJXWIA-BLLLJJGKSA-N 0 0 315.442 3.526 10 0 DHAERN C[C@H](CC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1F ZINC000113895955 526226563 /nfs/dbraw/zinc/22/65/63/526226563.db2.gz CEQDUMCTFSBLAS-CXAGYDPISA-N 0 0 315.392 3.796 10 0 DHAERN Cc1ccc(C(F)(F)F)cc1NCc1nnc(C2CC2)n1C ZINC000173479246 526251101 /nfs/dbraw/zinc/25/11/01/526251101.db2.gz BCIJDOQUXSMKSJ-UHFFFAOYSA-N 0 0 310.323 3.632 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2cccs2)n1 ZINC000182889938 526428829 /nfs/dbraw/zinc/42/88/29/526428829.db2.gz FDABVNPBVUYUBK-KOLCDFICSA-N 0 0 309.460 3.677 10 0 DHAERN c1cc(Oc2ccccc2)oc1CN1CCC[C@H](n2cncn2)C1 ZINC000180430034 526436458 /nfs/dbraw/zinc/43/64/58/526436458.db2.gz IIQHTXMTZZTSFZ-HNNXBMFYSA-N 0 0 324.384 3.501 10 0 DHAERN Cc1noc(-c2ccccc2)c1NC(=O)N1CCS[C@@H](C)C1 ZINC000126692717 526453288 /nfs/dbraw/zinc/45/32/88/526453288.db2.gz BMCWYNFFWKAPJJ-NSHDSACASA-N 0 0 317.414 3.619 10 0 DHAERN O=C(CCc1ccc(O)cc1)N1CCCC[C@@H]1c1nccs1 ZINC000180085692 526592114 /nfs/dbraw/zinc/59/21/14/526592114.db2.gz DOZOISNTGCRJTC-OAHLLOKOSA-N 0 0 316.426 3.535 10 0 DHAERN O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000131483921 526685890 /nfs/dbraw/zinc/68/58/90/526685890.db2.gz PBFWQJABGMVXNH-AWEZNQCLSA-N 0 0 307.756 3.570 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccco2)c1C ZINC000180369029 526903517 /nfs/dbraw/zinc/90/35/17/526903517.db2.gz SXIMAGMIWWOVHZ-ZFWWWQNUSA-N 0 0 319.426 3.686 10 0 DHAERN Cn1c(CSCc2ccc(Cl)c(F)c2)nnc1C1CC1 ZINC000190820955 527066181 /nfs/dbraw/zinc/06/61/81/527066181.db2.gz LVDAPFWCAKVJJV-UHFFFAOYSA-N 0 0 311.813 3.918 10 0 DHAERN O=C(C[C@H]1CCCc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172120343 527171746 /nfs/dbraw/zinc/17/17/46/527171746.db2.gz GRNJWAUAHNNGJU-VQIMIIECSA-N 0 0 323.440 3.974 10 0 DHAERN O=C(Nc1ccc2c(c1)NC(=O)CC2)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000150994936 527281718 /nfs/dbraw/zinc/28/17/18/527281718.db2.gz WTAHENBWZVZLTK-HZPDHXFCSA-N 0 0 312.413 3.726 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)c(F)c2)cn1 ZINC000171511696 527316095 /nfs/dbraw/zinc/31/60/95/527316095.db2.gz YCKNOMLOXPMPKA-CQSZACIVSA-N 0 0 322.771 3.582 10 0 DHAERN Cn1cc([C@H]2CCCN2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930405 527318073 /nfs/dbraw/zinc/31/80/73/527318073.db2.gz ABGSKODBKSTAQU-CQSZACIVSA-N 0 0 304.463 3.511 10 0 DHAERN O=C(Cc1csc2ccc(Cl)cc12)N[C@@H]1CCCC[C@@H]1O ZINC000151878641 527337873 /nfs/dbraw/zinc/33/78/73/527337873.db2.gz JGXKEDSKKFPCAP-KGLIPLIRSA-N 0 0 323.845 3.517 10 0 DHAERN O=C(/C=C/c1ccc[nH]1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000188515668 527623164 /nfs/dbraw/zinc/62/31/64/527623164.db2.gz YZBCOOKCZGTODG-OAGJVSPASA-N 0 0 322.408 3.981 10 0 DHAERN O=C(NCCC1CCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000176216566 527630535 /nfs/dbraw/zinc/63/05/35/527630535.db2.gz MMZIILKCYRQABW-CQSZACIVSA-N 0 0 307.463 3.960 10 0 DHAERN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(C/C=C/Cl)C1 ZINC000161041593 527679655 /nfs/dbraw/zinc/67/96/55/527679655.db2.gz ZJANLICAVSFVJW-MHDDQSTRSA-N 0 0 305.727 3.566 10 0 DHAERN Brc1cccc(CNCc2nc3ccccc3[nH]2)c1 ZINC000048409081 563574442 /nfs/dbraw/zinc/57/44/42/563574442.db2.gz GDSYHWKFXFMYMY-UHFFFAOYSA-N 0 0 316.202 3.615 10 0 DHAERN C[C@H](O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000226273016 563913549 /nfs/dbraw/zinc/91/35/49/563913549.db2.gz CPVSGSPXQZFWSB-JTQLQIEISA-N 0 0 320.186 3.755 10 0 DHAERN Clc1nc(C(Cl)(Cl)Cl)ncc1Br ZINC000685959902 563961407 /nfs/dbraw/zinc/96/14/07/563961407.db2.gz UYTUZNORECHGNF-UHFFFAOYSA-N 0 0 310.793 3.719 10 0 DHAERN Cc1ccc(-n2c(N)nc3cc(Br)ccc32)cc1 ZINC000036899514 563457019 /nfs/dbraw/zinc/45/70/19/563457019.db2.gz JVLQTDDVAPZBCI-UHFFFAOYSA-N 0 0 302.175 3.679 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CN(C)[C@H](C)c2ccncn2)cc1C ZINC000072436748 563507021 /nfs/dbraw/zinc/50/70/21/563507021.db2.gz LYSGRFINOBXIDA-OAHLLOKOSA-N 0 0 321.428 3.677 10 0 DHAERN Oc1cc2cccc(Br)c2nc1[C@H]1CCCOC1 ZINC000725267673 563574075 /nfs/dbraw/zinc/57/40/75/563574075.db2.gz QOESNONOKKVMPA-JTQLQIEISA-N 0 0 308.175 3.597 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(C2(CO)CC3(CCC3)C2)CC1 ZINC000725271629 563576807 /nfs/dbraw/zinc/57/68/07/563576807.db2.gz IWJGXESBSRTEOJ-UHFFFAOYSA-N 0 0 309.450 3.576 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)CC(=O)CC[C@]34CO)[C@@H]1CCC2=O ZINC000118912664 563592728 /nfs/dbraw/zinc/59/27/28/563592728.db2.gz VTIPICLYPXESHJ-GJCUDGATSA-N 0 0 318.457 3.530 10 0 DHAERN Cc1nc(-c2ccccc2C)n(CCCOCC(F)(F)F)n1 ZINC000084247688 563825593 /nfs/dbraw/zinc/82/55/93/563825593.db2.gz PMHADFXDIZFDGB-UHFFFAOYSA-N 0 0 313.323 3.531 10 0 DHAERN CN(C)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1N ZINC000226265538 563913377 /nfs/dbraw/zinc/91/33/77/563913377.db2.gz ZJDAFASKTSKHQL-UHFFFAOYSA-N 0 0 311.429 3.885 10 0 DHAERN C[C@@H](O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000226274157 563913605 /nfs/dbraw/zinc/91/36/05/563913605.db2.gz IYSRZOQULKEVEO-SNVBAGLBSA-N 0 0 320.186 3.755 10 0 DHAERN CN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000226275469 563913629 /nfs/dbraw/zinc/91/36/29/563913629.db2.gz KFFHPAGIQUAJCB-UHFFFAOYSA-N 0 0 320.742 3.855 10 0 DHAERN CCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl ZINC000226287404 563913737 /nfs/dbraw/zinc/91/37/37/563913737.db2.gz BYEXNGLKWGFASW-UHFFFAOYSA-N 0 0 314.772 3.849 10 0 DHAERN Clc1ccnc2c1c(Br)nn2[C@H]1CCCCO1 ZINC000095631121 563923325 /nfs/dbraw/zinc/92/33/25/563923325.db2.gz QKUFHSZAFGCBAQ-MRVPVSSYSA-N 0 0 316.586 3.546 10 0 DHAERN COc1ccccc1[C@H]1CC(=O)C[C@@H](c2ccccc2OC)O1 ZINC000048523805 563923948 /nfs/dbraw/zinc/92/39/48/563923948.db2.gz XQVNRRRAGKJETA-KDURUIRLSA-N 0 0 312.365 3.866 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](OC(=O)c2ccccc2)C1)c1ccccc1 ZINC000077271917 563927559 /nfs/dbraw/zinc/92/75/59/563927559.db2.gz IADWFZWQXGGJQZ-ZWKOTPCHSA-N 0 0 323.392 3.585 10 0 in-vitro DHAERN CC[NH+](CC)CCSCc1cccc(C(=O)[O-])c1Cl ZINC000381546593 971764135 /nfs/dbraw/zinc/76/41/35/971764135.db2.gz SXNPLYYTZFSFMH-UHFFFAOYSA-N 0 0 301.839 3.613 10 0 DHAERN CC[N@H+](Cc1ccc(C(=O)[O-])cc1Br)C(C)(C)C ZINC000382207555 971803134 /nfs/dbraw/zinc/80/31/34/971803134.db2.gz CICRIDMKXKSSLV-UHFFFAOYSA-N 0 0 314.223 3.768 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@@H]2CC23CCCC3)c(Br)c1 ZINC000387343567 972118754 /nfs/dbraw/zinc/11/87/54/972118754.db2.gz UIRPZFBHLALGMQ-CYBMUJFWSA-N 0 0 324.218 3.570 10 0 DHAERN Cc1cc(C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)c(C)s1 ZINC000124618614 958539306 /nfs/dbraw/zinc/53/93/06/958539306.db2.gz NGIUHNJLMDMJIM-UHFFFAOYSA-N 0 0 301.411 3.621 10 0 DHAERN C[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccc(Cl)s1 ZINC000167611804 959351216 /nfs/dbraw/zinc/35/12/16/959351216.db2.gz BUAGLTRTWOUIEE-SNVBAGLBSA-N 0 0 309.818 3.879 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2n2cccn2)s1 ZINC000072734386 1013909419 /nfs/dbraw/zinc/90/94/19/1013909419.db2.gz KIEINPUCQLZXTL-CHWSQXEVSA-N 0 0 304.419 3.558 10 0 DHAERN CC(C)C[C@H]([NH2+]CCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000722129880 978133315 /nfs/dbraw/zinc/13/33/15/978133315.db2.gz UKSXTYJJBFYCKX-ZDUSSCGKSA-N 0 0 304.217 3.625 10 0 DHAERN Cc1ccc(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(C)n1 ZINC000048678845 1016759733 /nfs/dbraw/zinc/75/97/33/1016759733.db2.gz QMGFZOBKXOGIIE-SECBINFHSA-N 0 0 301.415 3.532 10 0 DHAERN CC1(C)CCCN(C(=O)c2ncncc2Cl)c2ccccc21 ZINC000089849472 1032364735 /nfs/dbraw/zinc/36/47/35/1032364735.db2.gz YTUOHWURJAPDIV-UHFFFAOYSA-N 0 0 315.804 3.848 10 0 DHAERN Fc1cccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)c1 ZINC000090202764 1032390048 /nfs/dbraw/zinc/39/00/48/1032390048.db2.gz FFGMYBATXGLXTF-HNNXBMFYSA-N 0 0 317.751 3.741 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000091171155 1032436320 /nfs/dbraw/zinc/43/63/20/1032436320.db2.gz QMIDJEHDXXLIDC-MSOLQXFVSA-N 0 0 313.372 3.613 10 0 DHAERN Fc1cc(F)c(CN2CCC[C@H](c3nccs3)C2)cc1F ZINC000092788954 1032511891 /nfs/dbraw/zinc/51/18/91/1032511891.db2.gz FWVRWJGEMOBUEG-JTQLQIEISA-N 0 0 312.360 3.940 10 0 DHAERN Cc1ccc([C@@H]2CN(Cc3c[nH]nc3-c3ccccc3)CCO2)o1 ZINC000093864729 1032562407 /nfs/dbraw/zinc/56/24/07/1032562407.db2.gz JACJFORUTUDWFC-SFHVURJKSA-N 0 0 323.396 3.552 10 0 DHAERN Cc1csc(SCc2noc(-c3ccc(F)cc3)n2)n1 ZINC000072992797 1012280232 /nfs/dbraw/zinc/28/02/32/1012280232.db2.gz SOULHLMTCYFBSO-UHFFFAOYSA-N 0 0 307.375 3.933 10 0 DHAERN Cc1nc(-c2cccc(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)c2)n[nH]1 ZINC000081756087 1019227221 /nfs/dbraw/zinc/22/72/21/1019227221.db2.gz LUAZZTDFXIBHOB-IFIJOSMWSA-N 0 0 324.428 3.573 10 0 DHAERN CSCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 ZINC000049536047 1025712921 /nfs/dbraw/zinc/71/29/21/1025712921.db2.gz UIIDGAHOWUALSB-GFCCVEGCSA-N 0 0 306.456 3.713 10 0 DHAERN Cc1cc(C)n(CC2CCN(C(=O)CCC3CCCC3)CC2)n1 ZINC000062130818 1025937514 /nfs/dbraw/zinc/93/75/14/1025937514.db2.gz HEMBXXPVAPFDET-UHFFFAOYSA-N 0 0 317.477 3.709 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(F)cc1 ZINC000062093909 1025937892 /nfs/dbraw/zinc/93/78/92/1025937892.db2.gz YZRYUFNBURYTCC-UHFFFAOYSA-N 0 0 324.355 3.762 10 0 DHAERN CSc1ccsc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000067048023 1030519461 /nfs/dbraw/zinc/51/94/61/1030519461.db2.gz BHRGMKOMEHUKGF-JTQLQIEISA-N 0 0 324.496 3.946 10 0 DHAERN Cc1ccc(C(=O)N2CCC[C@@H](c3nccs3)C2)cc1C ZINC000067048892 1030523045 /nfs/dbraw/zinc/52/30/45/1030523045.db2.gz PPKPTQRYKFFLLS-OAHLLOKOSA-N 0 0 300.427 3.780 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)[N@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390236 1030790290 /nfs/dbraw/zinc/79/02/90/1030790290.db2.gz MPZZRAWXAFSUBX-HIFRSBDPSA-N 0 0 315.417 3.580 10 0 DHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)CC3CCCC3)C2)c1 ZINC000081638627 1031564709 /nfs/dbraw/zinc/56/47/09/1031564709.db2.gz XQAJGBFVDAIVTL-HNNXBMFYSA-N 0 0 317.429 3.600 10 0 DHAERN CC(C)Oc1ccc(OC2CC2)c(I)c1 ZINC000095713923 185383273 /nfs/dbraw/zinc/38/32/73/185383273.db2.gz ZNQNZTCAGATBPO-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN C[C@@H](NC(=O)N1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000079219238 185161808 /nfs/dbraw/zinc/16/18/08/185161808.db2.gz IOIKRRNJCWXMTD-CQSZACIVSA-N 0 0 312.413 3.721 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(Cl)cc1 ZINC000088559934 185257810 /nfs/dbraw/zinc/25/78/10/185257810.db2.gz PHIPLCSUYCYSCL-RISCZKNCSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](CC(C)C)c1cccs1 ZINC000090224529 185287172 /nfs/dbraw/zinc/28/71/72/185287172.db2.gz RILFKMSMRPQEKZ-KBPBESRZSA-N 0 0 304.463 3.860 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000090224838 185287334 /nfs/dbraw/zinc/28/73/34/185287334.db2.gz RCGQCHREHYWGIZ-UGSOOPFHSA-N 0 0 310.445 3.651 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1sc(C(C)C)nc1C ZINC000090225334 185287595 /nfs/dbraw/zinc/28/75/95/185287595.db2.gz GLMQUNSDLKNYOW-GXFFZTMASA-N 0 0 319.478 3.661 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226496 185287665 /nfs/dbraw/zinc/28/76/65/185287665.db2.gz HLLYLKKLCOKKPE-HZMBPMFUSA-N 0 0 324.350 3.791 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(F)cc1Cl ZINC000090226115 185287827 /nfs/dbraw/zinc/28/78/27/185287827.db2.gz NKDMROPXYJQAJW-LKFCYVNXSA-N 0 0 308.788 3.565 10 0 DHAERN Clc1cccc(Nc2ncnc(-c3ccnc(Cl)c3)n2)c1 ZINC000090494436 185299025 /nfs/dbraw/zinc/29/90/25/185299025.db2.gz NVQAABVWCQLERV-UHFFFAOYSA-N 0 0 318.167 3.984 10 0 DHAERN CCCCOc1ccc(C(=O)Oc2ccc(CO)cc2)cc1 ZINC000090443461 185296877 /nfs/dbraw/zinc/29/68/77/185296877.db2.gz UTXJGHXUBUJZEB-UHFFFAOYSA-N 0 0 300.354 3.577 10 0 DHAERN COc1ccccc1-n1c(/C=C/c2ccccc2)nc(C)cc1=O ZINC000090555330 185303243 /nfs/dbraw/zinc/30/32/43/185303243.db2.gz IPNZCZNVRWDSBF-OUKQBFOZSA-N 0 0 318.376 3.720 10 0 DHAERN O=C1CS[C@H](c2ccccc2F)N1Cc1ccccc1F ZINC000090558699 185303323 /nfs/dbraw/zinc/30/33/23/185303323.db2.gz PMSXNLXWEASXJJ-MRXNPFEDSA-N 0 0 305.349 3.739 10 0 DHAERN O=C(c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccc[nH]1 ZINC000090635799 185307813 /nfs/dbraw/zinc/30/78/13/185307813.db2.gz ONQNXUISHLSBFV-LJQANCHMSA-N 0 0 302.377 3.803 10 0 DHAERN Cn1c2ccccc2nc1-c1ccc(C(=O)NC(C)(C)C)s1 ZINC000006855495 190624885 /nfs/dbraw/zinc/62/48/85/190624885.db2.gz SSGFFZVTUJTISJ-UHFFFAOYSA-N 0 0 313.426 3.830 10 0 DHAERN Cc1cc(C)c(CN2CCO[C@@H](c3nccs3)C2)cc1C ZINC000092831197 185344765 /nfs/dbraw/zinc/34/47/65/185344765.db2.gz ZXZOBQAUXRVLOA-MRXNPFEDSA-N 0 0 302.443 3.642 10 0 DHAERN C[C@@H](NC(=O)NC1CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000080089507 334943370 /nfs/dbraw/zinc/94/33/70/334943370.db2.gz ZPIOKTBCWMEMPE-CYBMUJFWSA-N 0 0 304.434 3.523 10 0 DHAERN C[C@H](NC(=O)NC1CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000080089503 334943411 /nfs/dbraw/zinc/94/34/11/334943411.db2.gz ZPIOKTBCWMEMPE-ZDUSSCGKSA-N 0 0 304.434 3.523 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(Cl)c1Oc1cccnc1 ZINC000103384925 185449126 /nfs/dbraw/zinc/44/91/26/185449126.db2.gz VIVAJTBMKGFYQO-LLVKDONJSA-N 0 0 320.776 3.748 10 0 DHAERN CCC[C@@](C)([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000049527919 190678184 /nfs/dbraw/zinc/67/81/84/190678184.db2.gz XTUWJALTLNXABD-IINYFYTJSA-N 0 0 314.223 3.743 10 0 DHAERN Nc1ccc(N2CCCC2)c(NC(=O)c2ccccc2Cl)c1 ZINC000226255713 201769941 /nfs/dbraw/zinc/76/99/41/201769941.db2.gz ODAHNTYUTOWRNP-UHFFFAOYSA-N 0 0 315.804 3.775 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(N(C)C(=O)C(F)(F)F)cc1 ZINC000226275728 201772309 /nfs/dbraw/zinc/77/23/09/201772309.db2.gz HFHBSGLJOCQTLG-LLVKDONJSA-N 0 0 300.324 3.591 10 0 DHAERN COCc1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109100700 185551947 /nfs/dbraw/zinc/55/19/47/185551947.db2.gz SFVNSOOVFJLFMP-KGLIPLIRSA-N 0 0 317.335 3.853 10 0 DHAERN NC(=O)c1ccc(-c2cc(NC3CCCC3)nc3[nH]ccc32)cc1 ZINC000072163264 191063735 /nfs/dbraw/zinc/06/37/35/191063735.db2.gz UXIVTXGNTBMNAM-UHFFFAOYSA-N 0 0 320.396 3.683 10 0 DHAERN O=C(Nc1ccncc1Br)c1ccc2cc[nH]c2c1 ZINC000147613623 186040539 /nfs/dbraw/zinc/04/05/39/186040539.db2.gz HWOSWASQAZORDA-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN CCOC(=O)c1cnc2ccc(OCC)cc2c1N(CC)CC ZINC000072237218 191080802 /nfs/dbraw/zinc/08/08/02/191080802.db2.gz NZOWNHRXVOUBKS-UHFFFAOYSA-N 0 0 316.401 3.656 10 0 DHAERN COc1ccc(-c2ccnc(N3CCc4ccccc43)n2)cc1 ZINC000072443421 191166914 /nfs/dbraw/zinc/16/69/14/191166914.db2.gz SOMSLEUNAYBHLR-UHFFFAOYSA-N 0 0 303.365 3.846 10 0 DHAERN COc1ccc(Nc2nccc(-c3cccc(OC)c3)n2)cc1 ZINC000072443573 191168579 /nfs/dbraw/zinc/16/85/79/191168579.db2.gz JNNPTLABUVNQNC-UHFFFAOYSA-N 0 0 307.353 3.904 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3C)c(=O)[nH]2)cc1 ZINC000072451024 191169659 /nfs/dbraw/zinc/16/96/59/191169659.db2.gz NWRGKKOBTUKRBN-UHFFFAOYSA-N 0 0 318.376 3.911 10 0 DHAERN Cc1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)c1 ZINC000072450918 191170557 /nfs/dbraw/zinc/17/05/57/191170557.db2.gz WXWHMRQZWNOSPC-UHFFFAOYSA-N 0 0 322.339 3.742 10 0 DHAERN Cc1ccc(C)c(NC(=O)c2cnc(N3CCCCC3)nc2C)c1 ZINC000072464983 191174121 /nfs/dbraw/zinc/17/41/21/191174121.db2.gz PKECWVHKUGGZGQ-UHFFFAOYSA-N 0 0 324.428 3.644 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)CSc2ccc(F)c(F)c2)o1 ZINC000072749419 191226031 /nfs/dbraw/zinc/22/60/31/191226031.db2.gz SDUGUFZONRDMIZ-SNVBAGLBSA-N 0 0 311.353 3.836 10 0 DHAERN CCc1cc2c(ncnc2Nc2ccc(C(=O)OC)cc2)s1 ZINC000001291404 180853391 /nfs/dbraw/zinc/85/33/91/180853391.db2.gz COQVLXNAKIJAHB-UHFFFAOYSA-N 0 0 313.382 3.784 10 0 DHAERN Nc1ncc(CCCNc2ccccc2)c(-c2ccccc2)n1 ZINC000001748417 180894030 /nfs/dbraw/zinc/89/40/30/180894030.db2.gz DYOZGHAKUAVIPH-UHFFFAOYSA-N 0 0 304.397 3.771 10 0 DHAERN C/C=C(/c1ccc(OC)c(O)c1)c1cc(OC)cc(OC)c1 ZINC000073164585 191286929 /nfs/dbraw/zinc/28/69/29/191286929.db2.gz MPUREEUXQTXPRX-BNCCVWRVSA-N 0 0 300.354 3.870 10 0 DHAERN C[C@@H]1CC(=O)c2cc(OCc3ccc4ccccc4n3)cnc2C1 ZINC000003790374 181046279 /nfs/dbraw/zinc/04/62/79/181046279.db2.gz SAPHUANORGLBAL-ZDUSSCGKSA-N 0 0 318.376 3.974 10 0 DHAERN Cc1ccc(-c2cc(C(F)F)nc(NC[C@@H]3CCCO3)n2)cc1 ZINC000003896185 181053834 /nfs/dbraw/zinc/05/38/34/181053834.db2.gz POEJNBCTRBLOCD-ZDUSSCGKSA-N 0 0 319.355 3.981 10 0 DHAERN O=c1ccc2c(ccn2Cc2ccccc2)n1-c1ccccc1 ZINC000003948692 181058764 /nfs/dbraw/zinc/05/87/64/181058764.db2.gz JLGGUBRYEIRSKR-UHFFFAOYSA-N 0 0 300.361 3.841 10 0 DHAERN CCOc1ccc(C(=O)Oc2ccc(C=O)cc2OCC)cc1 ZINC000004201741 181084744 /nfs/dbraw/zinc/08/47/44/181084744.db2.gz ZZKZEADLXGTOKG-UHFFFAOYSA-N 0 0 314.337 3.516 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)c1ccc(OCC)cc1 ZINC000004281450 181092513 /nfs/dbraw/zinc/09/25/13/181092513.db2.gz KPLCVPLFCOVINA-UHFFFAOYSA-N 0 0 319.382 3.576 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCC(C)(C)CCO)cc1 ZINC000073489743 191320467 /nfs/dbraw/zinc/32/04/67/191320467.db2.gz RNPFDZOHPOBJKW-AWEZNQCLSA-N 0 0 306.450 3.579 10 0 DHAERN Nc1nc(C23CC4CC(CC(C4)C2)C3)c(Br)s1 ZINC000073711086 191345326 /nfs/dbraw/zinc/34/53/26/191345326.db2.gz OZAQPQAHSYTJNS-UHFFFAOYSA-N 0 0 313.264 3.956 10 0 DHAERN CCCCNC(=O)c1ccc2c(c1)nc1c(c2Cl)CCC1 ZINC000005034927 181194400 /nfs/dbraw/zinc/19/44/00/181194400.db2.gz KZBYISQVQFTROL-UHFFFAOYSA-N 0 0 302.805 3.907 10 0 DHAERN CC(C)(C)Cc1nnc2c3c4c(sc3ncn12)CCCC4 ZINC000005414505 181240578 /nfs/dbraw/zinc/24/05/78/181240578.db2.gz SQBLRVCRYWLWDG-UHFFFAOYSA-N 0 0 300.431 3.806 10 0 DHAERN CCCCN(CCCC)C(=O)C(=O)N(CCCC)CCCC ZINC000005503359 181250582 /nfs/dbraw/zinc/25/05/82/181250582.db2.gz BIRAXYAFJSEWBB-UHFFFAOYSA-N 0 0 312.498 3.844 10 0 DHAERN CC[C@@H](C)Oc1cc(N)nc(Sc2ccc(Cl)cc2N)n1 ZINC000005845807 181289186 /nfs/dbraw/zinc/28/91/86/181289186.db2.gz JRIOREGEACUPQJ-MRVPVSSYSA-N 0 0 324.837 3.623 10 0 DHAERN CSc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000006249239 181322802 /nfs/dbraw/zinc/32/28/02/181322802.db2.gz LTSXMHJSIZFBBX-UHFFFAOYSA-N 0 0 320.226 3.819 10 0 DHAERN O=C(CCSc1ccc(Cl)cc1)n1nnc2ccccc21 ZINC000006476838 181343330 /nfs/dbraw/zinc/34/33/30/181343330.db2.gz LLPPIKANISFWQA-UHFFFAOYSA-N 0 0 317.801 3.907 10 0 DHAERN Cc1cc(F)c(F)c(C(=O)N2CCc3ccccc3C2)c1F ZINC000006476346 181343441 /nfs/dbraw/zinc/34/34/41/181343441.db2.gz XPDVXZAOTOUPBP-UHFFFAOYSA-N 0 0 305.299 3.611 10 0 DHAERN CCN(CC)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1 ZINC000006517563 181348929 /nfs/dbraw/zinc/34/89/29/181348929.db2.gz GESYBSRKKWBWJL-UHFFFAOYSA-N 0 0 319.474 3.536 10 0 DHAERN Cc1ccc(-n2ncc3c2nc(SC(C)C)[nH]c3=O)cc1C ZINC000006556873 181354438 /nfs/dbraw/zinc/35/44/38/181354438.db2.gz HJJHXERKHZFPCX-UHFFFAOYSA-N 0 0 314.414 3.638 10 0 DHAERN O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1)c1ccco1 ZINC000198753353 201425021 /nfs/dbraw/zinc/42/50/21/201425021.db2.gz KYFQXEIBENVKPN-UHFFFAOYSA-N 0 0 318.332 3.692 10 0 DHAERN CC(=O)c1cccc(NC(=O)c2cc(C)nn2-c2ccccc2)c1 ZINC000006772293 181386324 /nfs/dbraw/zinc/38/63/24/181386324.db2.gz RVTFDOVSPVFATM-UHFFFAOYSA-N 0 0 319.364 3.636 10 0 DHAERN CCOC(=O)c1ccc(C[C@@H](CC)NC(=O)OC(C)(C)C)cc1 ZINC000091352923 193046709 /nfs/dbraw/zinc/04/67/09/193046709.db2.gz IYYBCTLTEPVUTH-OAHLLOKOSA-N 0 0 321.417 3.709 10 0 DHAERN Cc1ccsc1CN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000092094579 193156408 /nfs/dbraw/zinc/15/64/08/193156408.db2.gz BYSUHJCHQXJLFO-SWLSCSKDSA-N 0 0 309.381 3.643 10 0 DHAERN Cc1cc(C)n(C(=O)c2ccccc2OCc2ccccc2)n1 ZINC000007649607 181482386 /nfs/dbraw/zinc/48/23/86/181482386.db2.gz ICABJAHWSUAVHM-UHFFFAOYSA-N 0 0 306.365 3.767 10 0 DHAERN O=C(c1ccc2ccccc2c1O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000094148957 193346458 /nfs/dbraw/zinc/34/64/58/193346458.db2.gz JVQOLCDKWISTRX-KRWDZBQOSA-N 0 0 321.380 3.636 10 0 DHAERN COC(=O)c1cc(Cl)ccc1NCCOc1ccc(C)cc1 ZINC000008731290 181580137 /nfs/dbraw/zinc/58/01/37/181580137.db2.gz IHFBGCLLSICTMH-UHFFFAOYSA-N 0 0 319.788 3.926 10 0 DHAERN CCC(=O)N1CCc2ccc(NC(=O)c3cccc(C)c3)cc2C1 ZINC000009035568 181597394 /nfs/dbraw/zinc/59/73/94/181597394.db2.gz WDSLAMPODDPOAP-UHFFFAOYSA-N 0 0 322.408 3.542 10 0 DHAERN CCC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1 ZINC000008905466 181590451 /nfs/dbraw/zinc/59/04/51/181590451.db2.gz NEVALWGGOSPHRW-UHFFFAOYSA-N 0 0 303.745 3.908 10 0 DHAERN CCOc1ccc(Nc2nc(C(=O)N[C@@H](C)CC)cs2)cc1 ZINC000009208747 181607895 /nfs/dbraw/zinc/60/78/95/181607895.db2.gz KKLUHWOOTXQFAW-NSHDSACASA-N 0 0 319.430 3.814 10 0 DHAERN CCC(=O)Nc1nc(-c2cc3cccc(OC)c3o2)cs1 ZINC000010748200 181677594 /nfs/dbraw/zinc/67/75/94/181677594.db2.gz RLIXKAZIAQEEDW-UHFFFAOYSA-N 0 0 302.355 3.913 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 ZINC000011637068 181696074 /nfs/dbraw/zinc/69/60/74/181696074.db2.gz JKOLBPVUBUEOMY-OAHLLOKOSA-N 0 0 311.381 3.912 10 0 DHAERN Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccnc3)cc12 ZINC000012544212 181774063 /nfs/dbraw/zinc/77/40/63/181774063.db2.gz GECYBJWIISNSOH-UHFFFAOYSA-N 0 0 314.414 3.710 10 0 DHAERN CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1ccc(C)cc1C ZINC000014023836 181921021 /nfs/dbraw/zinc/92/10/21/181921021.db2.gz LSHSLPVGDRLVRS-UNOMPAQXSA-N 0 0 322.408 3.728 10 0 DHAERN Cc1nnc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)s1 ZINC000014715834 181966872 /nfs/dbraw/zinc/96/68/72/181966872.db2.gz DVBMVSZBTGMGPH-AATRIKPKSA-N 0 0 313.304 3.517 10 0 DHAERN CCCOc1ccc(C(=O)NC(C)(C)C)cc1Br ZINC000014646990 181963404 /nfs/dbraw/zinc/96/34/04/181963404.db2.gz XPIUIDCWZLPXQI-UHFFFAOYSA-N 0 0 314.223 3.766 10 0 DHAERN COc1ccc(Nc2ccc(NC(=S)NC3CC3)cc2)cc1 ZINC000016213995 182036848 /nfs/dbraw/zinc/03/68/48/182036848.db2.gz IWFBMQMBHUBUJR-UHFFFAOYSA-N 0 0 313.426 3.888 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000016597916 182051630 /nfs/dbraw/zinc/05/16/30/182051630.db2.gz KPFNPVDWLOTDGT-AWEZNQCLSA-N 0 0 318.417 3.581 10 0 DHAERN Cc1cccc(N)c1C(=O)Nc1ccc(Br)cc1C ZINC000019269935 182111716 /nfs/dbraw/zinc/11/17/16/182111716.db2.gz PQSLJLROBUXDJR-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Nc1ccc(F)cc1OCc1cc(Br)ccc1F ZINC000019424683 182122334 /nfs/dbraw/zinc/12/23/34/182122334.db2.gz ZXTXZCRQZGLMRI-UHFFFAOYSA-N 0 0 314.129 3.889 10 0 DHAERN Nc1ccc(F)cc1OCc1cc(F)ccc1Br ZINC000019511067 182126880 /nfs/dbraw/zinc/12/68/80/182126880.db2.gz GQTWOWVLFRKPSA-UHFFFAOYSA-N 0 0 314.129 3.889 10 0 DHAERN Nc1ccc2c(c1)N(Cc1ccc(Br)cc1)CC2 ZINC000019779390 182147697 /nfs/dbraw/zinc/14/76/97/182147697.db2.gz YNIXRFMIARIHRM-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN Cc1ccc(SCC(=O)Nc2cccc(N)c2C)cc1C ZINC000019846451 182156555 /nfs/dbraw/zinc/15/65/55/182156555.db2.gz AESNPECRGLZNGP-UHFFFAOYSA-N 0 0 300.427 3.925 10 0 DHAERN COc1cc(CNc2ccccc2Br)ccc1O ZINC000019922463 182164318 /nfs/dbraw/zinc/16/43/18/182164318.db2.gz ZQECYWPAXUERSK-UHFFFAOYSA-N 0 0 308.175 3.775 10 0 DHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1ccc(Br)cc1 ZINC000019923242 182165062 /nfs/dbraw/zinc/16/50/62/182165062.db2.gz SIKOBILCHCUAPK-ZDUSSCGKSA-N 0 0 306.159 3.700 10 0 DHAERN Nc1ccc2c(c1)CCCN2Cc1ccc(Br)cc1 ZINC000019875242 182159381 /nfs/dbraw/zinc/15/93/81/182159381.db2.gz JVHYIOLZMKTYSJ-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN Cc1ccc(SCC(=O)Nc2ccc(F)cc2N)cc1C ZINC000019997695 182175971 /nfs/dbraw/zinc/17/59/71/182175971.db2.gz OWJIIUXQZDBAGD-UHFFFAOYSA-N 0 0 304.390 3.756 10 0 DHAERN Cc1cc(N)ccc1NC(=O)CSc1ccccc1Cl ZINC000020024696 182180566 /nfs/dbraw/zinc/18/05/66/182180566.db2.gz HFBSTBZGXLZWQO-UHFFFAOYSA-N 0 0 306.818 3.961 10 0 DHAERN CC(C)(C)n1cc(C=O)c(-c2ccc(Br)cc2)n1 ZINC000020159951 182193978 /nfs/dbraw/zinc/19/39/78/182193978.db2.gz UIDFBIYYDVPWNA-UHFFFAOYSA-N 0 0 307.191 3.880 10 0 DHAERN Nc1ccc2c(c1)oc(=O)n2Cc1ccc(Cl)cc1Cl ZINC000020266758 182202063 /nfs/dbraw/zinc/20/20/63/182202063.db2.gz SMJWUANAEKEULE-UHFFFAOYSA-N 0 0 309.152 3.532 10 0 DHAERN C[C@H](Nc1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000020300825 182203964 /nfs/dbraw/zinc/20/39/64/182203964.db2.gz XQGFYNFFVALTEQ-VIFPVBQESA-N 0 0 301.217 3.853 10 0 DHAERN C[C@H](Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 ZINC000020308180 182205043 /nfs/dbraw/zinc/20/50/43/182205043.db2.gz KXBXPQANIMVEIF-JTQLQIEISA-N 0 0 300.324 3.565 10 0 DHAERN Cc1ccc(-c2csc3ncnc(NCCCO)c23)c(C)c1 ZINC000020323498 182207038 /nfs/dbraw/zinc/20/70/38/182207038.db2.gz NEJJZKGPULPRGC-UHFFFAOYSA-N 0 0 313.426 3.769 10 0 DHAERN COc1ccc(Cl)cc1/C=C/C(=O)Nc1cccc(O)c1 ZINC000021022734 182261280 /nfs/dbraw/zinc/26/12/80/182261280.db2.gz AOPPJOSETHYRRF-VMPITWQZSA-N 0 0 303.745 3.706 10 0 DHAERN O=C1CCC(=O)N1c1cccc(-c2nc3ccccc3s2)c1 ZINC000021127749 182265972 /nfs/dbraw/zinc/26/59/72/182265972.db2.gz SVSWKAYLHAEOHX-UHFFFAOYSA-N 0 0 308.362 3.617 10 0 DHAERN CC[C@@H](C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000021126575 182266024 /nfs/dbraw/zinc/26/60/24/182266024.db2.gz CXDMOACDTYUHKO-GFCCVEGCSA-N 0 0 322.364 3.840 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCn3c(nc4ccccc43)C2)cc1F ZINC000021534531 182279450 /nfs/dbraw/zinc/27/94/50/182279450.db2.gz NJKGCUFUMBLWRI-CYBMUJFWSA-N 0 0 323.371 3.685 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cc(Br)ccc1Cl ZINC000021871911 182295702 /nfs/dbraw/zinc/29/57/02/182295702.db2.gz CYPCZVSELFYDRS-MRVPVSSYSA-N 0 0 304.615 3.877 10 0 DHAERN CCOC(=O)C[C@H](CC)C(=O)c1ccc(Br)cc1 ZINC000021993472 182302187 /nfs/dbraw/zinc/30/21/87/182302187.db2.gz BCHZVTWLQVUBTB-JTQLQIEISA-N 0 0 313.191 3.611 10 0 DHAERN C[C@@H](O)c1cccc2cc([C@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053792 182307061 /nfs/dbraw/zinc/30/70/61/182307061.db2.gz NSCGUYORSXNXSZ-QMTHXVAHSA-N 0 0 303.358 3.778 10 0 in-vitro DHAERN C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc([C@H](C)O)c1 ZINC000024828445 182392056 /nfs/dbraw/zinc/39/20/56/182392056.db2.gz LIDGHYJOQCIXGO-NWDGAFQWSA-N 0 0 319.788 3.799 10 0 DHAERN Cc1ncnc2nc(N)c(-c3c(Cl)cccc3Cl)cc12 ZINC000027307871 182468193 /nfs/dbraw/zinc/46/81/93/182468193.db2.gz PCAHKSZCXRQRDU-UHFFFAOYSA-N 0 0 305.168 3.889 10 0 DHAERN Cn1ccnc1SCC(=O)c1cc(Cl)ccc1Cl ZINC000035182489 182760556 /nfs/dbraw/zinc/76/05/56/182760556.db2.gz WTTQBGYYWKGAFJ-UHFFFAOYSA-N 0 0 301.198 3.702 10 0 DHAERN O=C(CNc1cc(Br)ccc1F)Nc1ccccc1 ZINC000036752114 182840937 /nfs/dbraw/zinc/84/09/37/182840937.db2.gz AXWRABQDIHSYLX-UHFFFAOYSA-N 0 0 323.165 3.639 10 0 DHAERN Cc1cccc(NC(=O)Nc2ncc(Br)s2)c1 ZINC000037437253 182893481 /nfs/dbraw/zinc/89/34/81/182893481.db2.gz NOFWOBOYMKAOCZ-UHFFFAOYSA-N 0 0 312.192 3.858 10 0 DHAERN C[C@H](C1CC1)N(CC(F)(F)F)C(=O)c1cccnc1Cl ZINC000037980222 182950678 /nfs/dbraw/zinc/95/06/78/182950678.db2.gz LASLKUHYOCEJLR-MRVPVSSYSA-N 0 0 306.715 3.538 10 0 DHAERN Cc1cccc(CN(C(=O)c2ccnc(Cl)c2)C2CC2)c1 ZINC000037983421 182952762 /nfs/dbraw/zinc/95/27/62/182952762.db2.gz OHVRZWIRLXAIPQ-UHFFFAOYSA-N 0 0 300.789 3.848 10 0 DHAERN O=C(Cc1ccc(-c2ccccn2)cc1)NCc1cccc(F)c1 ZINC000038219930 182996202 /nfs/dbraw/zinc/99/62/02/182996202.db2.gz ODSYHNMMJCLPFQ-UHFFFAOYSA-N 0 0 320.367 3.747 10 0 DHAERN Brc1ccccc1C1=N[C@H](c2ccccc2)CO1 ZINC000038600166 183003421 /nfs/dbraw/zinc/00/34/21/183003421.db2.gz VHKCPSPWIFJAKI-AWEZNQCLSA-N 0 0 302.171 3.967 10 0 DHAERN CCCC(=O)NCCc1nc2ccccc2n1CCC(C)C ZINC000040197771 183045521 /nfs/dbraw/zinc/04/55/21/183045521.db2.gz CFNHJUAQVHTNFS-UHFFFAOYSA-N 0 0 301.434 3.541 10 0 DHAERN CC(C)c1nc2ccccc2n1CCC(=O)N1CCCCCC1 ZINC000040231404 183048471 /nfs/dbraw/zinc/04/84/71/183048471.db2.gz JTYVCBDZQHZWTD-UHFFFAOYSA-N 0 0 313.445 3.952 10 0 DHAERN COCc1nc2ccccc2n1CCOc1cccc(C)c1C ZINC000040231994 183048745 /nfs/dbraw/zinc/04/87/45/183048745.db2.gz XLZBLCMTAWRDKL-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN CCCN(CCC)C(=O)Cn1c2ccccc2nc1C(C)(C)C ZINC000040239302 183048747 /nfs/dbraw/zinc/04/87/47/183048747.db2.gz YFKVLRLFOKSIMK-UHFFFAOYSA-N 0 0 315.461 3.982 10 0 DHAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)OC(C)C)c1 ZINC000040239712 183048787 /nfs/dbraw/zinc/04/87/87/183048787.db2.gz JRWIVWHJIIAOCB-UHFFFAOYSA-N 0 0 308.381 3.963 10 0 DHAERN CCCCCCn1c(CNC(=O)C(C)C)nc2ccccc21 ZINC000040274676 183050614 /nfs/dbraw/zinc/05/06/14/183050614.db2.gz BNXXNINWQKWNAB-UHFFFAOYSA-N 0 0 301.434 3.889 10 0 DHAERN Cc1ccc(C)c(Cn2c3cc(C)c(C)cc3nc2CCO)c1 ZINC000040310670 183053614 /nfs/dbraw/zinc/05/36/14/183053614.db2.gz LKSLRGKVXPGDCG-UHFFFAOYSA-N 0 0 308.425 3.853 10 0 DHAERN CC(C)CNC(=O)Cn1c2ccccc2nc1-c1cccs1 ZINC000040307882 183053739 /nfs/dbraw/zinc/05/37/39/183053739.db2.gz RBUBRZMYWKZVCE-UHFFFAOYSA-N 0 0 313.426 3.537 10 0 DHAERN OCCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040402200 183061549 /nfs/dbraw/zinc/06/15/49/183061549.db2.gz LESKICUXEVFXTF-UHFFFAOYSA-N 0 0 310.275 3.698 10 0 DHAERN Oc1ccc(Cc2nnc3ccc(-c4ccccc4)cn32)cc1 ZINC000040430658 183066018 /nfs/dbraw/zinc/06/60/18/183066018.db2.gz AIZTYZRNBCCRMR-UHFFFAOYSA-N 0 0 301.349 3.693 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2cccc(C)n2)c1N ZINC000040685232 183117006 /nfs/dbraw/zinc/11/70/06/183117006.db2.gz KTMLNZUSJBLPLQ-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Nc3ccccn3)c2N)c1 ZINC000040681432 183117020 /nfs/dbraw/zinc/11/70/20/183117020.db2.gz WCGMIPHERCBRAV-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN COc1cccc(Nc2ncnc(Oc3ccc(C)cc3)c2N)c1 ZINC000040688096 183118066 /nfs/dbraw/zinc/11/80/66/183118066.db2.gz LDXZNNWGUHJHNG-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(NCc2ccc(F)cc2)ncnc1Nc1ccccc1 ZINC000040781118 183132949 /nfs/dbraw/zinc/13/29/49/183132949.db2.gz VTZBUHNMOFIQMQ-UHFFFAOYSA-N 0 0 309.348 3.554 10 0 DHAERN COc1ccccc1Nc1ncnc(Sc2ccccc2)c1N ZINC000040781518 183133268 /nfs/dbraw/zinc/13/32/68/183133268.db2.gz VRCZAEVWCRGOLQ-UHFFFAOYSA-N 0 0 324.409 3.962 10 0 DHAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccc(Cl)cn1 ZINC000040779326 183133315 /nfs/dbraw/zinc/13/33/15/183133315.db2.gz IPZDHPMKRPQLCB-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN CC(=O)c1cccc(NC(=O)c2cc3ccc(F)cc3n2C)c1 ZINC000040789072 183133780 /nfs/dbraw/zinc/13/37/80/183133780.db2.gz CRSRFEKTSHFNLJ-UHFFFAOYSA-N 0 0 310.328 3.772 10 0 DHAERN O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc2nccnc2c1 ZINC000040803788 183136175 /nfs/dbraw/zinc/13/61/75/183136175.db2.gz PLTHORMCDGHDGQ-UHFFFAOYSA-N 0 0 308.381 3.755 10 0 DHAERN CN(C)c1ncnc(Nc2ccc(Oc3ccccc3)cc2)c1N ZINC000040723653 183124486 /nfs/dbraw/zinc/12/44/86/183124486.db2.gz JXHLIALEJOGMCK-UHFFFAOYSA-N 0 0 321.384 3.661 10 0 DHAERN Cc1ccc(Oc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040757846 183129340 /nfs/dbraw/zinc/12/93/40/183129340.db2.gz CGXDDPGFQFWBPA-UHFFFAOYSA-N 0 0 306.369 3.927 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759162 183130762 /nfs/dbraw/zinc/13/07/62/183130762.db2.gz ROPLAFUFPKCWOF-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN CCCCC(=O)NC(=S)Nc1ccc(N(CC)CC)cc1 ZINC000040898240 183146993 /nfs/dbraw/zinc/14/69/93/183146993.db2.gz BKURBDABWKFFRT-UHFFFAOYSA-N 0 0 307.463 3.536 10 0 DHAERN CCOc1ccc(-c2nc3sc(SC)nn3c2C)cc1 ZINC000040965024 183152138 /nfs/dbraw/zinc/15/21/38/183152138.db2.gz ZXRMOLZSBBNYRX-UHFFFAOYSA-N 0 0 305.428 3.887 10 0 DHAERN CCCSc1nn2cc(-c3ccc(OC)cc3)nc2s1 ZINC000040965215 183152352 /nfs/dbraw/zinc/15/23/52/183152352.db2.gz UPFXDVFXWQAABY-UHFFFAOYSA-N 0 0 305.428 3.969 10 0 DHAERN CCn1cc(C(=O)Nc2ccccc2C)c(=O)c2cc(F)ccc21 ZINC000041056842 183160205 /nfs/dbraw/zinc/16/02/05/183160205.db2.gz HPAUASLHGDUJQM-UHFFFAOYSA-N 0 0 324.355 3.721 10 0 DHAERN COc1cccc(C(=O)Nc2ccnc3ccc(OC)cc32)c1 ZINC000041058051 183160858 /nfs/dbraw/zinc/16/08/58/183160858.db2.gz YXCPQGLGBFGYQV-UHFFFAOYSA-N 0 0 308.337 3.504 10 0 DHAERN OC[C@@H](Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000041542953 183201317 /nfs/dbraw/zinc/20/13/17/183201317.db2.gz YVWFBWMCJASDJU-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN Cc1cc(Br)ccc1-n1nc(C(C)(C)C)cc1N ZINC000041541328 183201507 /nfs/dbraw/zinc/20/15/07/183201507.db2.gz BOLDQDPNJPZZQW-UHFFFAOYSA-N 0 0 308.223 3.823 10 0 DHAERN CCN(CCC(N)=S)C(=O)Nc1cc(Cl)ccc1Cl ZINC000042452154 183271826 /nfs/dbraw/zinc/27/18/26/183271826.db2.gz MXXJYDBWIQYZSY-UHFFFAOYSA-N 0 0 320.245 3.523 10 0 DHAERN CCCCCCN1C(=O)C(=O)c2cccc(Br)c21 ZINC000042375526 183261571 /nfs/dbraw/zinc/26/15/71/183261571.db2.gz MWFLVVFCWRWCIA-UHFFFAOYSA-N 0 0 310.191 3.559 10 0 DHAERN CC[C@@H](NC(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000042593524 183289590 /nfs/dbraw/zinc/28/95/90/183289590.db2.gz WKXUYVPTTQUYOS-GFCCVEGCSA-N 0 0 314.223 3.622 10 0 DHAERN CCN(CC(=O)c1cccc(Br)c1)CC(F)(F)F ZINC000042774389 183307555 /nfs/dbraw/zinc/30/75/55/183307555.db2.gz AAIIUGALAKGMPS-UHFFFAOYSA-N 0 0 324.140 3.516 10 0 DHAERN Nc1ccc(F)cc1OCc1sccc1Br ZINC000043674187 183378154 /nfs/dbraw/zinc/37/81/54/183378154.db2.gz SIFKRTFSMPQPOU-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN O=c1[nH]nc2c3ccccc3n(Cc3ccc(Cl)cc3)cc1-2 ZINC000103648753 193949389 /nfs/dbraw/zinc/94/93/89/193949389.db2.gz KAEYNMCAUTXZOY-UHFFFAOYSA-N 0 0 309.756 3.531 10 0 DHAERN CC[C@@H](C(=O)N1CCC[C@@H](n2cc(C)cn2)C1)c1ccccc1 ZINC000105858823 194148359 /nfs/dbraw/zinc/14/83/59/194148359.db2.gz ZZIWJMASNKUAHW-QZTJIDSGSA-N 0 0 311.429 3.549 10 0 DHAERN CC[C@@H](C)O[C@H](C)C(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000048263693 183634603 /nfs/dbraw/zinc/63/46/03/183634603.db2.gz WHKZMOCVVCSKKI-HTQZYQBOSA-N 0 0 305.205 3.718 10 0 DHAERN CNc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000050728531 183802152 /nfs/dbraw/zinc/80/21/52/183802152.db2.gz BHAHEEYHKMCGJP-UHFFFAOYSA-N 0 0 305.175 3.743 10 0 DHAERN CCc1ccc2oc(C(=O)Nc3ccc(C(N)=O)cc3)c(C)c2c1 ZINC000054644777 183947152 /nfs/dbraw/zinc/94/71/52/183947152.db2.gz PJBBGJKKJPGOJN-UHFFFAOYSA-N 0 0 322.364 3.655 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3C)n2)cc1 ZINC000057342100 184034201 /nfs/dbraw/zinc/03/42/01/184034201.db2.gz GYSXWMFMFVASNA-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(C)c3)n2)cc1 ZINC000057342115 184034462 /nfs/dbraw/zinc/03/44/62/184034462.db2.gz SKBHWZXTQJKKDX-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN Cc1nc(-c2ccc(Br)cc2)[nH]c(=O)c1C(C)C ZINC000061688264 184182996 /nfs/dbraw/zinc/18/29/96/184182996.db2.gz QHZFQJULIALLTQ-UHFFFAOYSA-N 0 0 307.191 3.631 10 0 DHAERN Cc1nn(-c2ccc([C@H](C)O)cc2Br)c(C)c1C ZINC000061697234 184183962 /nfs/dbraw/zinc/18/39/62/184183962.db2.gz MUXQUNYYTWGHNT-NSHDSACASA-N 0 0 309.207 3.613 10 0 DHAERN CN(Cc1ccc(Cl)s1)c1c(F)cc(CO)cc1F ZINC000062722134 184250533 /nfs/dbraw/zinc/25/05/33/184250533.db2.gz WWNRDFUDPLNDRB-UHFFFAOYSA-N 0 0 303.761 3.808 10 0 DHAERN COc1ccc(-c2cc3c(cccc3N(C)C)c(N)n2)cc1OC ZINC000064539853 184299038 /nfs/dbraw/zinc/29/90/38/184299038.db2.gz KQEAPCMHQXNHHL-UHFFFAOYSA-N 0 0 323.396 3.567 10 0 DHAERN CCOC(=O)c1sc(COc2ccccc2OCC)nc1C ZINC000064872494 184305157 /nfs/dbraw/zinc/30/51/57/184305157.db2.gz IRJUSPFBXOTIDU-UHFFFAOYSA-N 0 0 321.398 3.606 10 0 DHAERN CCOC(=O)c1sc(COc2cccc(CC)c2)nc1C ZINC000064872583 184305347 /nfs/dbraw/zinc/30/53/47/184305347.db2.gz KYVRACKYJPQPHJ-UHFFFAOYSA-N 0 0 305.399 3.770 10 0 DHAERN COc1cccc(C(=O)Nc2cnc3cc(OC)ccc3c2)c1 ZINC000065008847 184308424 /nfs/dbraw/zinc/30/84/24/184308424.db2.gz HWTNSGOGTSAFNE-UHFFFAOYSA-N 0 0 308.337 3.504 10 0 DHAERN Cc1nc2cc(-c3noc(-c4cccc(N(C)C)c4)n3)ccc2o1 ZINC000065149588 184311472 /nfs/dbraw/zinc/31/14/72/184311472.db2.gz BWJVFSPZYSNUHC-UHFFFAOYSA-N 0 0 320.352 3.919 10 0 DHAERN CC(C)CC(=O)N1CCC(CCOc2ccccc2F)CC1 ZINC000064678048 184302657 /nfs/dbraw/zinc/30/26/57/184302657.db2.gz GDIVOSNKDXCYKN-UHFFFAOYSA-N 0 0 307.409 3.879 10 0 DHAERN Cc1ccc(CN2CCC[C@@H]2c2nc(-c3cccnc3)no2)cc1 ZINC000065286676 184321536 /nfs/dbraw/zinc/32/15/36/184321536.db2.gz TZXYLVODHRARKA-QGZVFWFLSA-N 0 0 320.396 3.777 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC(=O)C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118916736 194940473 /nfs/dbraw/zinc/94/04/73/194940473.db2.gz NIDCVAGWUPRSFF-RXNYBZGSSA-N 0 0 306.446 3.557 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@H]2CC[C@H](C)C2)cc1OC ZINC000119645247 195008939 /nfs/dbraw/zinc/00/89/39/195008939.db2.gz YEBKWQMJBQIVAX-IHRRRGAJSA-N 0 0 305.418 3.707 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCCC3=CCCC3)C2)n1 ZINC000152120429 196774944 /nfs/dbraw/zinc/77/49/44/196774944.db2.gz XSPQGXPDFOMVNQ-HNNXBMFYSA-N 0 0 319.474 3.841 10 0 DHAERN C[C@H](CO)N(C)C(=O)Nc1ccc(Cl)cc1-c1ccccc1 ZINC000190713569 335057646 /nfs/dbraw/zinc/05/76/46/335057646.db2.gz VEIFNSXDGXVCCX-GFCCVEGCSA-N 0 0 318.804 3.852 10 0 DHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1csc(Cl)n1 ZINC000275499462 130327731 /nfs/dbraw/zinc/32/77/31/130327731.db2.gz UUMRQKHCLBVPSP-UHFFFAOYSA-N 0 0 312.744 3.647 10 0 DHAERN Cc1cc(C)cc(NC(=O)c2cnc(N3CCCCC3)nc2C)c1 ZINC000021931040 134653426 /nfs/dbraw/zinc/65/34/26/134653426.db2.gz VZATXRXLQBCOAM-UHFFFAOYSA-N 0 0 324.428 3.644 10 0 DHAERN CCCN(C[C@@H]1CCCCO1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194312050 335066784 /nfs/dbraw/zinc/06/67/84/335066784.db2.gz GKSXEKVUADLCAF-INIZCTEOSA-N 0 0 315.417 3.981 10 0 DHAERN CC(C)n1nnnc1CS[C@@H]1CCc2c1cccc2Cl ZINC000155661539 332772815 /nfs/dbraw/zinc/77/28/15/332772815.db2.gz LLXCMDOPYDTENQ-CYBMUJFWSA-N 0 0 308.838 3.828 10 0 DHAERN Cc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1C(F)(F)F ZINC000174295069 332850568 /nfs/dbraw/zinc/85/05/68/332850568.db2.gz GLGXUDWJIXLDLS-QWRGUYRKSA-N 0 0 316.323 3.655 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCCC3(C)C)C2)n1 ZINC000174979465 332871931 /nfs/dbraw/zinc/87/19/31/332871931.db2.gz NKOOFENEUZSMRP-ZIAGYGMSSA-N 0 0 321.490 3.919 10 0 DHAERN CSCC[C@@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1 ZINC000006506271 331496454 /nfs/dbraw/zinc/49/64/54/331496454.db2.gz UPCVEELDZLUONI-OAHLLOKOSA-N 0 0 317.458 3.664 10 0 DHAERN Cc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109080358 331509210 /nfs/dbraw/zinc/50/92/10/331509210.db2.gz JWQYGVMHNUSEBK-LSDHHAIUSA-N 0 0 301.336 3.693 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCSc3ncccc32)CC(C)(C)C1 ZINC000180753529 331577195 /nfs/dbraw/zinc/57/71/95/331577195.db2.gz ZZZAHZAPCCNHGH-OLZOCXBDSA-N 0 0 304.459 3.983 10 0 DHAERN Cc1nc2cc(N[C@H](C)C(=O)N[C@@H](C)c3ccccc3)ccc2o1 ZINC000028882651 331609033 /nfs/dbraw/zinc/60/90/33/331609033.db2.gz FUTOTSBMTKPLHV-QWHCGFSZSA-N 0 0 323.396 3.814 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)Nc1ccc(Br)cc1F ZINC000230042010 331635937 /nfs/dbraw/zinc/63/59/37/331635937.db2.gz XZXPVNLPCJWOQS-WCBMZHEXSA-N 0 0 300.171 3.963 10 0 DHAERN O=C(/C=C\c1cncc(F)c1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000255631076 331781964 /nfs/dbraw/zinc/78/19/64/331781964.db2.gz HHFABGFRVOBBHG-XTNYPIGLSA-N 0 0 316.763 3.691 10 0 DHAERN CCC1CCC(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)CC1 ZINC000091619490 331918845 /nfs/dbraw/zinc/91/88/45/331918845.db2.gz RKIGTVPNNOQVQH-UYSNPLJNSA-N 0 0 318.465 3.842 10 0 DHAERN CSCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000077539124 331959003 /nfs/dbraw/zinc/95/90/03/331959003.db2.gz SODRHWPGJRXVRE-MNOVXSKESA-N 0 0 316.417 3.809 10 0 DHAERN CSCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000077539133 331959148 /nfs/dbraw/zinc/95/91/48/331959148.db2.gz SODRHWPGJRXVRE-GHMZBOCLSA-N 0 0 316.417 3.809 10 0 DHAERN COCCn1cc(N[C@H](C)c2cc3c(s2)CCCC3)cn1 ZINC000129396750 332018879 /nfs/dbraw/zinc/01/88/79/332018879.db2.gz AKONXIMRVHZNSF-GFCCVEGCSA-N 0 0 305.447 3.643 10 0 DHAERN COCC1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 ZINC000091235530 332064399 /nfs/dbraw/zinc/06/43/99/332064399.db2.gz ADCQRKTUJCNWJW-JTQLQIEISA-N 0 0 316.854 3.531 10 0 DHAERN COC1(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCC1 ZINC000180869683 332142561 /nfs/dbraw/zinc/14/25/61/332142561.db2.gz JRAGMVPWJDSGAK-IAGOWNOFSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H](CO)c2ccccc2)cc1 ZINC000180954080 332169326 /nfs/dbraw/zinc/16/93/26/332169326.db2.gz KLNWOCDDRCRDDN-UFYCRDLUSA-N 0 0 323.436 3.763 10 0 DHAERN CCc1cc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc(=O)[nH]1 ZINC000181162668 332186721 /nfs/dbraw/zinc/18/67/21/332186721.db2.gz JAUOCEGIMZECLN-ZDUSSCGKSA-N 0 0 312.413 3.552 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CCO1 ZINC000181243330 332188014 /nfs/dbraw/zinc/18/80/14/332188014.db2.gz OZZXVJZEDNKBQE-WFEDQXDTSA-N 0 0 315.457 3.940 10 0 DHAERN COc1ccc(F)cc1CNC(=O)N[C@H](C)c1ccccc1C ZINC000187750301 332249151 /nfs/dbraw/zinc/24/91/51/332249151.db2.gz SBXMVFGYHJUHQA-CYBMUJFWSA-N 0 0 316.376 3.703 10 0 DHAERN CC[C@H](NCc1csc(N(CC)C(C)=O)n1)c1cccs1 ZINC000049529402 332315475 /nfs/dbraw/zinc/31/54/75/332315475.db2.gz JQLVPTIPHHOSKZ-ZDUSSCGKSA-N 0 0 323.487 3.818 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OCO3)cc1F ZINC000088329151 332498273 /nfs/dbraw/zinc/49/82/73/332498273.db2.gz NCYAYDQHFIKJGX-LLVKDONJSA-N 0 0 316.332 3.746 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)Nc2ccsc2)C12CCCC2 ZINC000157519704 332526105 /nfs/dbraw/zinc/52/61/05/332526105.db2.gz KYBNHFVDDNSOFX-UONOGXRCSA-N 0 0 308.447 3.950 10 0 DHAERN Brc1cncc(NC[C@@H]2CCOc3ccccc32)c1 ZINC000301407942 332973336 /nfs/dbraw/zinc/97/33/36/332973336.db2.gz WAKBLRQZNUCJOS-NSHDSACASA-N 0 0 319.202 3.822 10 0 DHAERN Cc1c(Br)cccc1NC(=O)c1cccc(N)c1 ZINC000178371039 333009073 /nfs/dbraw/zinc/00/90/73/333009073.db2.gz URJMQHAISHQTOK-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCOc3ccncc32)cc1 ZINC000178385236 333009587 /nfs/dbraw/zinc/00/95/87/333009587.db2.gz ZXKTYNYFVOSAJX-DLBZAZTESA-N 0 0 322.408 3.734 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCCCc2ccccn2)cc1F ZINC000178402470 333010212 /nfs/dbraw/zinc/01/02/12/333010212.db2.gz ZPALZYDFTHRKNJ-AWEZNQCLSA-N 0 0 315.392 3.522 10 0 DHAERN CC(C)[C@@H](O)Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109492520 333014474 /nfs/dbraw/zinc/01/44/74/333014474.db2.gz FLMSRIQHUIYKBA-LBPRGKRZSA-N 0 0 315.200 3.527 10 0 DHAERN CC(C)[C@H](O)Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000109491793 333014475 /nfs/dbraw/zinc/01/44/75/333014475.db2.gz WFZAGQYPUSZZIF-GFCCVEGCSA-N 0 0 315.200 3.527 10 0 DHAERN Cc1nc(N2CCC[C@@H](C(F)(F)F)C2)ccc1Br ZINC000181700454 333030920 /nfs/dbraw/zinc/03/09/20/333030920.db2.gz NEYMASKWEPDMOT-SECBINFHSA-N 0 0 323.156 3.931 10 0 DHAERN Cc1ccccc1NC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171983682 333056779 /nfs/dbraw/zinc/05/67/79/333056779.db2.gz XDQCATXSFZVRHR-LPHOPBHVSA-N 0 0 322.408 3.543 10 0 DHAERN Cn1cc(Cl)cc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000027853326 333121875 /nfs/dbraw/zinc/12/18/75/333121875.db2.gz BPSBJFKNKWLRKS-WCBMZHEXSA-N 0 0 308.731 3.529 10 0 DHAERN Cn1cc(Cl)cc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000027853319 333121994 /nfs/dbraw/zinc/12/19/94/333121994.db2.gz BPSBJFKNKWLRKS-SCZZXKLOSA-N 0 0 308.731 3.529 10 0 DHAERN CCc1nnc(CN[C@H](C)c2ccc(C(C)(C)C)cc2)n1C ZINC000178452876 333138904 /nfs/dbraw/zinc/13/89/04/333138904.db2.gz MHALPRUUDCTSSR-CYBMUJFWSA-N 0 0 300.450 3.526 10 0 DHAERN Cc1nscc1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000182150855 333149795 /nfs/dbraw/zinc/14/97/95/333149795.db2.gz WNZGKJFOFDPFIM-GFCCVEGCSA-N 0 0 318.442 3.977 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)[C@@H](C)C2 ZINC000182189779 333182983 /nfs/dbraw/zinc/18/29/83/333182983.db2.gz HDVQCTQRZJXXPY-UGSOOPFHSA-N 0 0 311.429 3.515 10 0 DHAERN C[C@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)c1ccc2ccccc2c1 ZINC000182209333 333190433 /nfs/dbraw/zinc/19/04/33/333190433.db2.gz DORRNHBCAWJICK-ZNMIVQPWSA-N 0 0 312.413 3.720 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000040669831 333338508 /nfs/dbraw/zinc/33/85/08/333338508.db2.gz NBMLHLYGUSQKKL-GHMZBOCLSA-N 0 0 316.228 3.562 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)CCCCCc1ccc(F)cc1 ZINC000188210156 333360891 /nfs/dbraw/zinc/36/08/91/333360891.db2.gz GSYPDBVHHNPXMZ-GJZGRUSLSA-N 0 0 307.409 3.564 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000188281375 333362770 /nfs/dbraw/zinc/36/27/70/333362770.db2.gz WEOQZQJPSQJWJA-SWLSCSKDSA-N 0 0 321.392 3.901 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000188281350 333362828 /nfs/dbraw/zinc/36/28/28/333362828.db2.gz WEOQZQJPSQJWJA-IUODEOHRSA-N 0 0 321.392 3.901 10 0 DHAERN CCc1ccc(O)c(-c2nc(Cc3ccc(OC)cc3)no2)c1 ZINC000184849448 333368042 /nfs/dbraw/zinc/36/80/42/333368042.db2.gz VRYMVGCEOSBZBT-UHFFFAOYSA-N 0 0 310.353 3.604 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOCC23CCC3)cc1 ZINC000152054082 333587703 /nfs/dbraw/zinc/58/77/03/333587703.db2.gz LBQOTDGZSYBCEG-ROUUACIJSA-N 0 0 313.441 3.695 10 0 DHAERN CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000112131757 334365703 /nfs/dbraw/zinc/36/57/03/334365703.db2.gz PUUVQCBSPVGBCJ-UONOGXRCSA-N 0 0 310.463 3.966 10 0 DHAERN CO[C@@H](C)CNC(=O)c1ccccc1Sc1ccccc1 ZINC000189854591 334914757 /nfs/dbraw/zinc/91/47/57/334914757.db2.gz MYHNPYWIUSTSPT-ZDUSSCGKSA-N 0 0 301.411 3.603 10 0 DHAERN C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000113306981 335686987 /nfs/dbraw/zinc/68/69/87/335686987.db2.gz JXUNKNSIUCEBSV-KBPBESRZSA-N 0 0 307.397 3.846 10 0 DHAERN Fc1cc(Br)cc(CN[C@@H]2COc3ccccc32)c1 ZINC000093982401 335695932 /nfs/dbraw/zinc/69/59/32/335695932.db2.gz TWIWQJNYHKCMNX-CQSZACIVSA-N 0 0 322.177 3.812 10 0 DHAERN C[C@@H](NC(=O)NCc1ccoc1)c1cccc(Br)c1 ZINC000193334597 335823408 /nfs/dbraw/zinc/82/34/08/335823408.db2.gz KRBWQZZNJJJUPD-SNVBAGLBSA-N 0 0 323.190 3.603 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)CNC(=O)CC(C)(C)C)cc1 ZINC000053117937 335834364 /nfs/dbraw/zinc/83/43/64/335834364.db2.gz ZYIUKPGLQGRPEN-CQSZACIVSA-N 0 0 318.461 3.540 10 0 DHAERN CC(C)[C@H](O)CC(=O)NC1(c2ccc(Cl)cc2)CCCC1 ZINC000158622297 338506315 /nfs/dbraw/zinc/50/63/15/338506315.db2.gz KBJYBADQLMCALS-OAHLLOKOSA-N 0 0 309.837 3.633 10 0 DHAERN Fc1cc(Cl)cnc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000329741320 336076310 /nfs/dbraw/zinc/07/63/10/336076310.db2.gz ONULRXXHWPSNSH-UHFFFAOYSA-N 0 0 322.771 3.519 10 0 DHAERN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H]1CC12CCCC2 ZINC000329995956 336103909 /nfs/dbraw/zinc/10/39/09/336103909.db2.gz OAUFCFQULUJJOJ-KRWDZBQOSA-N 0 0 314.429 3.796 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nnc(N2CCCC2)s1 ZINC000333076063 336197748 /nfs/dbraw/zinc/19/77/48/336197748.db2.gz PNWCFRPWOKMMMG-UHFFFAOYSA-N 0 0 324.475 3.850 10 0 DHAERN CCOC(=O)[C@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000192649481 336254446 /nfs/dbraw/zinc/25/44/46/336254446.db2.gz PGGIGAKONKVFFK-KBPBESRZSA-N 0 0 315.335 3.565 10 0 DHAERN CCC[C@H]1C[C@@H](C(=O)NC2C3CC4CC(C3)CC2C4)CCO1 ZINC000182594544 336274225 /nfs/dbraw/zinc/27/42/25/336274225.db2.gz AMHWJTXKPOHZFC-ZSAKZZKXSA-N 0 0 305.462 3.523 10 0 DHAERN CC[C@H](CCO)Nc1nc(-c2ccsc2)nc2ccccc21 ZINC000301327820 336300855 /nfs/dbraw/zinc/30/08/55/336300855.db2.gz CCTUPXHXWAXBQG-CYBMUJFWSA-N 0 0 313.426 3.931 10 0 DHAERN CN(c1ncnc2cc(Cl)ccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000301329556 336300930 /nfs/dbraw/zinc/30/09/30/336300930.db2.gz CWFQUEBIZOPRAZ-CFVMTHIKSA-N 0 0 317.820 3.533 10 0 DHAERN CN(c1ncnc2cc(Cl)ccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000301329561 336300938 /nfs/dbraw/zinc/30/09/38/336300938.db2.gz CWFQUEBIZOPRAZ-YUELXQCFSA-N 0 0 317.820 3.533 10 0 DHAERN Cc1noc(-c2cccnc2NCc2ccc3c(c2)CCC3)n1 ZINC000301384428 336303772 /nfs/dbraw/zinc/30/37/72/336303772.db2.gz WIBQFAHQEUXQCZ-UHFFFAOYSA-N 0 0 306.369 3.541 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000301419271 336305493 /nfs/dbraw/zinc/30/54/93/336305493.db2.gz DHCZXWWEFCLSIE-WBVHZDCISA-N 0 0 321.424 3.885 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301467020 336308583 /nfs/dbraw/zinc/30/85/83/336308583.db2.gz XWITXACYQWQLND-RISCZKNCSA-N 0 0 311.364 3.531 10 0 DHAERN CC[C@H](CNc1ccc(SC)nn1)Oc1ccccc1C ZINC000301571715 336315733 /nfs/dbraw/zinc/31/57/33/336315733.db2.gz RJIZOKKTHFUDBV-CYBMUJFWSA-N 0 0 303.431 3.776 10 0 DHAERN COCc1cc(NC[C@@H]2Cc3ccccc32)nc(C(C)(C)C)n1 ZINC000301765061 336328341 /nfs/dbraw/zinc/32/83/41/336328341.db2.gz AZMULQKLGZPZJF-AWEZNQCLSA-N 0 0 311.429 3.672 10 0 DHAERN CCNC(=O)c1ccc(N[C@@H](C)c2cc(C)c(CC)s2)nc1 ZINC000301771648 336328782 /nfs/dbraw/zinc/32/87/82/336328782.db2.gz LELQBWJJWGLGOF-LBPRGKRZSA-N 0 0 317.458 3.937 10 0 DHAERN Cc1c(CNc2ccc3c(Cl)ccnc3c2F)cnn1C ZINC000301836256 336333265 /nfs/dbraw/zinc/33/32/65/336333265.db2.gz LTANWBLXNYWFNS-UHFFFAOYSA-N 0 0 304.756 3.681 10 0 DHAERN CSc1nc2ncnc(Oc3c(F)cccc3F)c2s1 ZINC000301923992 336338254 /nfs/dbraw/zinc/33/82/54/336338254.db2.gz HTUACKYXGIDZNP-UHFFFAOYSA-N 0 0 311.338 3.879 10 0 DHAERN Fc1ccc2ncnc(Nc3ccc(Cn4ccnc4)cc3)c2c1 ZINC000301923886 336338270 /nfs/dbraw/zinc/33/82/70/336338270.db2.gz HKTZTHDKOQHYMB-UHFFFAOYSA-N 0 0 319.343 3.757 10 0 DHAERN CCc1ncnc(N[C@@H]2CC(C)(C)Oc3ccccc32)c1F ZINC000301968475 336340444 /nfs/dbraw/zinc/34/04/44/336340444.db2.gz POMNCYKUTNOOAL-CYBMUJFWSA-N 0 0 301.365 3.892 10 0 DHAERN CN(CCC(F)(F)F)c1nnc(Cc2ccc(F)cc2)s1 ZINC000302085516 336347793 /nfs/dbraw/zinc/34/77/93/336347793.db2.gz DSMBREFRYWMWTH-UHFFFAOYSA-N 0 0 319.327 3.657 10 0 DHAERN Cc1nc(CN(C)c2ccc3ccc(Cl)c(Cl)c3n2)no1 ZINC000302172790 336352338 /nfs/dbraw/zinc/35/23/38/336352338.db2.gz MHZMIHBDXLQQIQ-UHFFFAOYSA-N 0 0 323.183 3.869 10 0 DHAERN CCOc1cc(N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)ncn1 ZINC000302268686 336356487 /nfs/dbraw/zinc/35/64/87/336356487.db2.gz GLWJVDOMAWBYHB-TZMCWYRMSA-N 0 0 301.390 3.754 10 0 DHAERN Cn1cc(Oc2nc3ccccc3c(-c3ccccc3)n2)cn1 ZINC000302312726 336357169 /nfs/dbraw/zinc/35/71/69/336357169.db2.gz PJEZOXSAXHAMKA-UHFFFAOYSA-N 0 0 302.337 3.823 10 0 DHAERN CN(c1ccnc2c(F)cc(F)cc12)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000302492763 336359972 /nfs/dbraw/zinc/35/99/72/336359972.db2.gz IZLZBZDZORLSPD-YMRXKLBXSA-N 0 0 318.367 3.763 10 0 DHAERN C[C@H]1CN(C)c2ccccc2CN1c1nc(C(C)(C)C)ns1 ZINC000302506640 336360330 /nfs/dbraw/zinc/36/03/30/336360330.db2.gz MYFAWGWUDQIKPH-LBPRGKRZSA-N 0 0 316.474 3.681 10 0 DHAERN C[C@@H]1C[C@@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302510248 336360456 /nfs/dbraw/zinc/36/04/56/336360456.db2.gz NWGRINLGQHWJMB-KCJUWKMLSA-N 0 0 304.806 3.932 10 0 DHAERN Fc1cc(F)c2nccc(N3CCC([C@H]4CCCO4)CC3)c2c1 ZINC000302537077 336361102 /nfs/dbraw/zinc/36/11/02/336361102.db2.gz GRRJFDASVRLDSH-QGZVFWFLSA-N 0 0 318.367 3.908 10 0 DHAERN CC(C)c1nsc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)n1 ZINC000302812788 336370104 /nfs/dbraw/zinc/37/01/04/336370104.db2.gz HMQSTCXYNIIFLH-VIFPVBQESA-N 0 0 304.371 3.866 10 0 DHAERN Cc1ccc(Oc2cc(C(C)(C)C)nc(C(C)C)n2)c[n+]1[O-] ZINC000302838140 336371500 /nfs/dbraw/zinc/37/15/00/336371500.db2.gz YHHIRUOWRINQOS-UHFFFAOYSA-N 0 0 301.390 3.632 10 0 DHAERN Cc1ccc(Oc2ccc(C(=O)Nc3ccccc3)nn2)cc1F ZINC000302852647 336371903 /nfs/dbraw/zinc/37/19/03/336371903.db2.gz JKDCUKYRRGXFFQ-UHFFFAOYSA-N 0 0 323.327 3.969 10 0 DHAERN COC(=O)[C@H]1CC[C@@H](Nc2cc3ccccc3c(Cl)n2)C1 ZINC000302866641 336372394 /nfs/dbraw/zinc/37/23/94/336372394.db2.gz VNWWHULVMLSNQJ-NWDGAFQWSA-N 0 0 304.777 3.642 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)NC(C)(c2ccccc2)c2ccccc2)O1 ZINC000152461877 336387965 /nfs/dbraw/zinc/38/79/65/336387965.db2.gz QCDJWCADOHEIHM-YJBOKZPZSA-N 0 0 309.409 3.634 10 0 DHAERN CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2ccco2)CCO1 ZINC000367168840 336464809 /nfs/dbraw/zinc/46/48/09/336464809.db2.gz XMEQVCKUHYVPJF-DZKIICNBSA-N 0 0 320.433 3.720 10 0 DHAERN C[C@H](Cc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116042654 336830431 /nfs/dbraw/zinc/83/04/31/336830431.db2.gz GXWRJKCJYRFTJN-CZUORRHYSA-N 0 0 301.361 3.961 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116046380 336830540 /nfs/dbraw/zinc/83/05/40/336830540.db2.gz JTVXNBUOZXQQJR-ZDUSSCGKSA-N 0 0 317.410 3.976 10 0 DHAERN O=C(NCCc1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116426502 336840290 /nfs/dbraw/zinc/84/02/90/336840290.db2.gz CGVFTLRLDAOVHU-OAHLLOKOSA-N 0 0 320.339 3.647 10 0 DHAERN CCC[C@]1(COC)CCCN1C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000193453361 336933984 /nfs/dbraw/zinc/93/39/84/336933984.db2.gz MAYRQAWQFHHZAJ-WMLDXEAASA-N 0 0 308.422 3.640 10 0 DHAERN CCCCO[C@@H](C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121904660 336986169 /nfs/dbraw/zinc/98/61/69/336986169.db2.gz IRNKBIRJXIMRIF-DZGCQCFKSA-N 0 0 305.418 3.610 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C(C)C)on3)C2)n1 ZINC000123029245 337034311 /nfs/dbraw/zinc/03/43/11/337034311.db2.gz RKSHIVZRARZKIO-GFCCVEGCSA-N 0 0 319.430 3.583 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000123038476 337034586 /nfs/dbraw/zinc/03/45/86/337034586.db2.gz WPYMHIBNUXRKQB-NOZJJQNGSA-N 0 0 302.201 3.519 10 0 DHAERN Cc1ccc(CC(=O)N[C@@H]2c3ccccc3CCC2(C)C)cn1 ZINC000123349487 337045013 /nfs/dbraw/zinc/04/50/13/337045013.db2.gz PZMOPCXAODZJTM-LJQANCHMSA-N 0 0 308.425 3.762 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000193971135 337080905 /nfs/dbraw/zinc/08/09/05/337080905.db2.gz GQBGWMBRFFAMGF-JKIFEVAISA-N 0 0 303.446 3.834 10 0 DHAERN Cc1c(CNC(=O)N2CCS[C@@H](C)C2)oc2ccc(F)cc12 ZINC000170879261 337083279 /nfs/dbraw/zinc/08/32/79/337083279.db2.gz NRXCUWAXQZFAQM-JTQLQIEISA-N 0 0 322.405 3.527 10 0 DHAERN Cc1nc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)cs1 ZINC000170497172 337083294 /nfs/dbraw/zinc/08/32/94/337083294.db2.gz AIBIQIKHLNJKNJ-JTQLQIEISA-N 0 0 324.833 3.751 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCS1 ZINC000171382327 337086499 /nfs/dbraw/zinc/08/64/99/337086499.db2.gz BSDBTTRAUABUAB-MRVPVSSYSA-N 0 0 322.327 3.814 10 0 DHAERN Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1COc2ccccc21 ZINC000171032690 337086613 /nfs/dbraw/zinc/08/66/13/337086613.db2.gz RCOWKARJIYZPQX-INIZCTEOSA-N 0 0 320.348 3.514 10 0 DHAERN C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1cccs1 ZINC000171651727 337087023 /nfs/dbraw/zinc/08/70/23/337087023.db2.gz IPRKBMYXTQRDIJ-SNVBAGLBSA-N 0 0 318.423 3.885 10 0 DHAERN CO[C@H](CNC(=O)N1CCC[C@@H]1c1ccco1)c1ccccc1 ZINC000172117451 337089890 /nfs/dbraw/zinc/08/98/90/337089890.db2.gz QYADWSBKVGDFNL-NVXWUHKLSA-N 0 0 314.385 3.514 10 0 DHAERN CCO[C@H]1C[C@H](N(C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670631 337129382 /nfs/dbraw/zinc/12/93/82/337129382.db2.gz MIWZSWDNRIUAMU-HOTGVXAUSA-N 0 0 305.466 3.634 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593875 337130156 /nfs/dbraw/zinc/13/01/56/337130156.db2.gz WBKABYIAQNPMNM-QWHCGFSZSA-N 0 0 320.820 3.597 10 0 DHAERN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1 ZINC000172593755 337130266 /nfs/dbraw/zinc/13/02/66/337130266.db2.gz SMDGKEVODLTUJW-KBPBESRZSA-N 0 0 316.401 3.583 10 0 DHAERN CCc1cnc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)s1 ZINC000173059521 337131848 /nfs/dbraw/zinc/13/18/48/337131848.db2.gz WDHKYAWFDKHZFB-MNOVXSKESA-N 0 0 308.353 3.726 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C2C(C)(C)C2(C)C)no1 ZINC000173377700 337134984 /nfs/dbraw/zinc/13/49/84/337134984.db2.gz DAENFRDVLISSPE-NSHDSACASA-N 0 0 305.422 3.539 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 ZINC000173411581 337135070 /nfs/dbraw/zinc/13/50/70/337135070.db2.gz LTSOWDVJBRTFHY-GFCCVEGCSA-N 0 0 306.456 3.841 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000173411045 337135116 /nfs/dbraw/zinc/13/51/16/337135116.db2.gz OVLZAFKUPGYXOE-NSHDSACASA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)ccc3F)C2)n1 ZINC000173417206 337135168 /nfs/dbraw/zinc/13/51/68/337135168.db2.gz QEGSSGJHKAHNMR-CYBMUJFWSA-N 0 0 318.417 3.919 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(F)c(C)c3)C2)n1 ZINC000173428645 337135266 /nfs/dbraw/zinc/13/52/66/337135266.db2.gz BZQYKHUBYUQJOZ-CQSZACIVSA-N 0 0 318.417 3.919 10 0 DHAERN O=C(NCCCCC1CCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000173460295 337135415 /nfs/dbraw/zinc/13/54/15/337135415.db2.gz AITRXGKHTPHQME-UHFFFAOYSA-N 0 0 318.465 3.659 10 0 DHAERN Cc1cc2c(cc1C)O[C@H](C(=O)N1CCC[C@@H]1c1ccco1)C2 ZINC000173509236 337136171 /nfs/dbraw/zinc/13/61/71/337136171.db2.gz KGULYLFWVHGZIK-QAPCUYQASA-N 0 0 311.381 3.564 10 0 DHAERN O=C([C@@H]1SCCc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000173509671 337136184 /nfs/dbraw/zinc/13/61/84/337136184.db2.gz CFEIYLNYLYMOMC-DOTOQJQBSA-N 0 0 313.422 3.974 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)c(Cl)c1 ZINC000173627574 337136942 /nfs/dbraw/zinc/13/69/42/337136942.db2.gz HKCFKYBAQIVAFM-MNOVXSKESA-N 0 0 322.815 3.819 10 0 DHAERN C[C@@H](N[C@@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631266 337136953 /nfs/dbraw/zinc/13/69/53/337136953.db2.gz HZDRTVXUTPSWKW-NWDGAFQWSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1Cl ZINC000173631256 337136980 /nfs/dbraw/zinc/13/69/80/337136980.db2.gz HZDRTVXUTPSWKW-NEPJUHHUSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)s1 ZINC000173932855 337137624 /nfs/dbraw/zinc/13/76/24/337137624.db2.gz RMMDPXLFXKVGLX-ZDUSSCGKSA-N 0 0 311.410 3.733 10 0 DHAERN Cc1ccccc1Cc1noc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000175679821 337147029 /nfs/dbraw/zinc/14/70/29/337147029.db2.gz GGYXPGFZJFFSSJ-MRXNPFEDSA-N 0 0 323.396 3.899 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)NCCCCC(C)(C)C ZINC000176136813 337150569 /nfs/dbraw/zinc/15/05/69/337150569.db2.gz LILDANUSNUHITN-MRXNPFEDSA-N 0 0 320.481 3.582 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccccc2F)no1 ZINC000176330418 337150934 /nfs/dbraw/zinc/15/09/34/337150934.db2.gz MENFNDBRKGDXFG-CYBMUJFWSA-N 0 0 318.352 3.701 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C/C=C/c3ccc(C)cc3)C2)c1 ZINC000176621996 337152432 /nfs/dbraw/zinc/15/24/32/337152432.db2.gz UMHHPDWEYMLXAU-JUGMSXHOSA-N 0 0 323.440 3.767 10 0 DHAERN Cc1ccc(/C=C/CC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000176656356 337152586 /nfs/dbraw/zinc/15/25/86/337152586.db2.gz RQEDGQLGCABDJA-NSCUHMNNSA-N 0 0 309.413 3.528 10 0 DHAERN C[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccc(Cl)s1 ZINC000176679714 337152679 /nfs/dbraw/zinc/15/26/79/337152679.db2.gz AOCRDSXGFYPTCA-SNVBAGLBSA-N 0 0 323.849 3.634 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)C[C@@H](C)C1CCCCC1 ZINC000177166989 337154566 /nfs/dbraw/zinc/15/45/66/337154566.db2.gz LTRLKTJFYXJNTE-QAPCUYQASA-N 0 0 317.477 3.789 10 0 DHAERN CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177531461 337156553 /nfs/dbraw/zinc/15/65/53/337156553.db2.gz PZTYFFUCMUGNQB-WMLDXEAASA-N 0 0 306.454 3.616 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc2ccccc2n1 ZINC000178077070 337160333 /nfs/dbraw/zinc/16/03/33/337160333.db2.gz OXKBGWWRTZJSPU-KGLIPLIRSA-N 0 0 321.428 3.574 10 0 DHAERN Cc1cc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)c(C)s1 ZINC000178910195 337166397 /nfs/dbraw/zinc/16/63/97/337166397.db2.gz LQFCCNXKURIYBB-WMLDXEAASA-N 0 0 323.408 3.951 10 0 DHAERN Fc1c(Cl)cccc1CN1CCC(Cn2cccn2)CC1 ZINC000179532107 337170205 /nfs/dbraw/zinc/17/02/05/337170205.db2.gz IVXKMWJHIFWNCA-UHFFFAOYSA-N 0 0 307.800 3.588 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180116900 337171407 /nfs/dbraw/zinc/17/14/07/337171407.db2.gz PIWYIGMWXUOETO-FZMZJTMJSA-N 0 0 308.491 3.881 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000180362343 337173839 /nfs/dbraw/zinc/17/38/39/337173839.db2.gz PLNMSVZNSUZLQP-HZPDHXFCSA-N 0 0 321.465 3.766 10 0 DHAERN Cc1nc(CCNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)sc1C ZINC000180464787 337174880 /nfs/dbraw/zinc/17/48/80/337174880.db2.gz BRZYZFAIAXWUEQ-RISCZKNCSA-N 0 0 308.491 3.881 10 0 DHAERN Cc1c(C(=O)N2CCCC[C@@H]2c2nccs2)cnn1C(C)C ZINC000180150349 337174965 /nfs/dbraw/zinc/17/49/65/337174965.db2.gz WOQFMIZQBIGASW-CQSZACIVSA-N 0 0 318.446 3.596 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO1 ZINC000180582060 337176547 /nfs/dbraw/zinc/17/65/47/337176547.db2.gz MAHBRQKCZNRVFV-QGPMSJSTSA-N 0 0 319.420 3.915 10 0 DHAERN Cc1nc(C[C@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)no1 ZINC000180708429 337177367 /nfs/dbraw/zinc/17/73/67/337177367.db2.gz QFPALISPPIJLPE-OAHLLOKOSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)c1 ZINC000180767917 337177780 /nfs/dbraw/zinc/17/77/80/337177780.db2.gz VJYFGMAJWJFMBX-INIZCTEOSA-N 0 0 303.450 3.716 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC000180820604 337178027 /nfs/dbraw/zinc/17/80/27/337178027.db2.gz LCIAPSBUXMVXKS-MRXNPFEDSA-N 0 0 317.477 3.970 10 0 DHAERN COc1cc(CN(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)ccc1O ZINC000183125206 337190054 /nfs/dbraw/zinc/19/00/54/337190054.db2.gz SVIDPMXQEMIEFJ-UKRRQHHQSA-N 0 0 319.445 3.822 10 0 DHAERN COc1cc(CN(C)C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)ccc1O ZINC000183125167 337190080 /nfs/dbraw/zinc/19/00/80/337190080.db2.gz SVIDPMXQEMIEFJ-HIFRSBDPSA-N 0 0 319.445 3.822 10 0 DHAERN CCn1ccnc1CN[C@H](c1c(F)cccc1F)C(F)(F)F ZINC000183460097 337191855 /nfs/dbraw/zinc/19/18/55/337191855.db2.gz QCIJEZALWVMCIO-CYBMUJFWSA-N 0 0 319.277 3.574 10 0 DHAERN C[C@H]1C[C@H](C(=O)NCCCCNc2ccccn2)CC(C)(C)C1 ZINC000183662925 337194069 /nfs/dbraw/zinc/19/40/69/337194069.db2.gz PLTNCSGLMJKKLT-HOTGVXAUSA-N 0 0 317.477 3.852 10 0 DHAERN Cc1nccn1CCCCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183988290 337194255 /nfs/dbraw/zinc/19/42/55/337194255.db2.gz LPFMCEWTPVAGFH-HOCLYGCPSA-N 0 0 305.466 3.550 10 0 DHAERN O=C(Nc1ccncc1F)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000184120523 337196394 /nfs/dbraw/zinc/19/63/94/337196394.db2.gz QJTSVDYVGSOENZ-CYBMUJFWSA-N 0 0 305.740 3.683 10 0 DHAERN CCn1c(C)nnc1CN1CCc2c1cccc2-c1ccccc1 ZINC000184518111 337198230 /nfs/dbraw/zinc/19/82/30/337198230.db2.gz AHVNUKGJNCLWHB-UHFFFAOYSA-N 0 0 318.424 3.836 10 0 DHAERN C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000184897161 337200807 /nfs/dbraw/zinc/20/08/07/337200807.db2.gz VRGMEZKBZSHESE-BPLDGKMQSA-N 0 0 306.475 3.921 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1CCCC2(CC2)C1 ZINC000185618548 337249689 /nfs/dbraw/zinc/24/96/89/337249689.db2.gz NXQKVYRVDGLJPR-MRXNPFEDSA-N 0 0 302.393 3.789 10 0 DHAERN CC(C)(C)OCc1cc(C(=O)N2CCC[C@@H]2c2ccco2)no1 ZINC000185905330 337251422 /nfs/dbraw/zinc/25/14/22/337251422.db2.gz MCBYGDPIBDZNEB-CQSZACIVSA-N 0 0 318.373 3.560 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000187864428 337268472 /nfs/dbraw/zinc/26/84/72/337268472.db2.gz RHFCGZZLSBIPKZ-UHFFFAOYSA-N 0 0 309.413 3.697 10 0 DHAERN C[C@@H]1CN(Cc2c(F)ccc(Br)c2F)CCS1 ZINC000230346910 337271547 /nfs/dbraw/zinc/27/15/47/337271547.db2.gz JOAGRTIUDABEEN-MRVPVSSYSA-N 0 0 322.218 3.665 10 0 DHAERN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000188683645 337274961 /nfs/dbraw/zinc/27/49/61/337274961.db2.gz FRCQTKLQWPGLNW-UXLLHSPISA-N 0 0 319.445 3.714 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000190099233 337284528 /nfs/dbraw/zinc/28/45/28/337284528.db2.gz JAAATEYANPXJGA-PWSUYJOCSA-N 0 0 304.777 3.642 10 0 DHAERN C[C@H]1CCSCCN1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000190305074 337286523 /nfs/dbraw/zinc/28/65/23/337286523.db2.gz JAGYTGIAQBEVEG-XJKSGUPXSA-N 0 0 304.459 3.601 10 0 DHAERN O=C(NCCc1ccc(F)c(F)c1)N1CCC[C@H]1c1ccco1 ZINC000190362507 337287051 /nfs/dbraw/zinc/28/70/51/337287051.db2.gz DXNLYQGAELKLLW-HNNXBMFYSA-N 0 0 320.339 3.647 10 0 DHAERN COc1cccc(Cl)c1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000190515704 337288782 /nfs/dbraw/zinc/28/87/82/337288782.db2.gz XZSIYJCIQJDZKV-NSHDSACASA-N 0 0 322.792 3.810 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3ccc(C4CCC4)cc3)C2)c1 ZINC000191349246 337296127 /nfs/dbraw/zinc/29/61/27/337296127.db2.gz CAUKVOYZMILVDM-LJQANCHMSA-N 0 0 323.440 3.936 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000191823843 337300462 /nfs/dbraw/zinc/30/04/62/337300462.db2.gz KISMSBJOMVCJTK-CYBMUJFWSA-N 0 0 308.447 3.592 10 0 DHAERN CSC1(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC000191871707 337301753 /nfs/dbraw/zinc/30/17/53/337301753.db2.gz DOAPIMRDGIXIDS-LBPRGKRZSA-N 0 0 324.515 3.868 10 0 DHAERN Fc1cnccc1NCc1ccccc1OCc1cccnc1 ZINC000192150247 337303310 /nfs/dbraw/zinc/30/33/10/337303310.db2.gz VNKVAUZBLVUTCB-UHFFFAOYSA-N 0 0 309.344 3.807 10 0 DHAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@H](OC)CC(=O)[C@@]3(C)CC[C@H]21 ZINC000584602397 337371093 /nfs/dbraw/zinc/37/10/93/337371093.db2.gz IBVJWGZSTJEMDQ-UNNPPQAFSA-N 0 0 314.425 3.745 10 0 DHAERN CCC/C(=C/C[C@@]1(C)C(=O)CC[C@@H]1O)c1ccc(OC)cc1 ZINC000584603184 337371206 /nfs/dbraw/zinc/37/12/06/337371206.db2.gz MKRNABORWAOGCY-DDWWDUBISA-N 0 0 302.414 3.999 10 0 DHAERN COC(=O)Cc1csc2c1c(Cl)cc(OC)c2Cl ZINC000584606224 337371750 /nfs/dbraw/zinc/37/17/50/337371750.db2.gz DQMNSDWTGDEGTM-UHFFFAOYSA-N 0 0 305.182 3.932 10 0 DHAERN CCNCC1=N[C@H](c2ccc(-c3ccccc3)cc2)N(CC)O1 ZINC000584614119 337372525 /nfs/dbraw/zinc/37/25/25/337372525.db2.gz QQGJXXCXZPEWNC-IBGZPJMESA-N 0 0 309.413 3.627 10 0 DHAERN Cc1cc(=O)[nH]c2c1cncc2-c1ccc(-c2cnn(C)c2)cc1 ZINC000584616073 337372957 /nfs/dbraw/zinc/37/29/57/337372957.db2.gz ZKNFDBCMTFGZOL-UHFFFAOYSA-N 0 0 316.364 3.711 10 0 DHAERN CC(C)(O)/C=C/[C@](O)(c1ccccc1)c1ccc(Cl)cc1 ZINC000584627059 337376042 /nfs/dbraw/zinc/37/60/42/337376042.db2.gz IEKYNRXIVPYPFS-HHNLSAEISA-N 0 0 302.801 3.903 10 0 DHAERN COc1ccc2c(c1)NC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)O2 ZINC000584626489 337376084 /nfs/dbraw/zinc/37/60/84/337376084.db2.gz OQHNOBOHONGKTD-CQSZACIVSA-N 0 0 323.270 3.786 10 0 DHAERN C[C@](O)(c1cccc(O)c1)[C@@H](c1ccccc1)c1ccccn1 ZINC000584630054 337376777 /nfs/dbraw/zinc/37/67/77/337376777.db2.gz UZTDOKIJIPAWAA-PMACEKPBSA-N 0 0 305.377 3.827 10 0 DHAERN COc1ccc2c(c1)C[C@H](C)NN=C2c1ccc(Cl)cc1 ZINC000584632383 337377223 /nfs/dbraw/zinc/37/72/23/337377223.db2.gz CRQZDBRFTULYOP-NSHDSACASA-N 0 0 300.789 3.635 10 0 DHAERN CCN(CC)C(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584633167 337377472 /nfs/dbraw/zinc/37/74/72/337377472.db2.gz YMQPJGADMUQKTN-UHFFFAOYSA-N 0 0 304.777 3.590 10 0 DHAERN O=C1CCN(c2cc(F)c(F)c(OCc3ccccc3)c2)CC1 ZINC000584636688 337379465 /nfs/dbraw/zinc/37/94/65/337379465.db2.gz MLODMDKLGMIIFG-UHFFFAOYSA-N 0 0 317.335 3.713 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000584637585 337379598 /nfs/dbraw/zinc/37/95/98/337379598.db2.gz LDCFYTOKBCNVOX-UKRFUPGBSA-N 0 0 310.453 3.699 10 0 DHAERN CCc1cc(OC)ccc1C[C@H](CCO)c1ccc(OC)cc1 ZINC000584652783 337381073 /nfs/dbraw/zinc/38/10/73/337381073.db2.gz XZQLTZCZUIODAT-SFHVURJKSA-N 0 0 314.425 3.975 10 0 DHAERN CCCc1nc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)cs1 ZINC000114720510 337391756 /nfs/dbraw/zinc/39/17/56/337391756.db2.gz OAMJNWPFYUCGSC-OAHLLOKOSA-N 0 0 318.490 3.783 10 0 DHAERN COCc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1 ZINC000115365814 337392067 /nfs/dbraw/zinc/39/20/67/337392067.db2.gz AJALTRSGWDOWND-HNNXBMFYSA-N 0 0 316.426 3.657 10 0 DHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116046851 337392223 /nfs/dbraw/zinc/39/22/23/337392223.db2.gz LQWGJHFPKADUIL-SNVBAGLBSA-N 0 0 311.168 3.959 10 0 DHAERN Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H]3c3ccco3)cc2)c1 ZINC000116047414 337392244 /nfs/dbraw/zinc/39/22/44/337392244.db2.gz JOQDHCSWGFHKMH-QGZVFWFLSA-N 0 0 321.380 3.751 10 0 DHAERN O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1c1ccco1 ZINC000116046155 337392267 /nfs/dbraw/zinc/39/22/67/337392267.db2.gz DTBHPBOFGJFVLS-LLVKDONJSA-N 0 0 310.275 3.671 10 0 DHAERN CC(C)Oc1ccccc1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116048407 337392300 /nfs/dbraw/zinc/39/23/00/337392300.db2.gz KDUSVLIAPVWUOQ-MRXNPFEDSA-N 0 0 313.397 3.973 10 0 DHAERN CCCCCC[C@@H](C)CC(=O)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000116116612 337392380 /nfs/dbraw/zinc/39/23/80/337392380.db2.gz WQOSBKHXECTBDU-HZPDHXFCSA-N 0 0 305.466 3.733 10 0 DHAERN C[C@@H](Cc1cccs1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116418497 337392641 /nfs/dbraw/zinc/39/26/41/337392641.db2.gz KBRXMOLOMXXJOE-JSGCOSHPSA-N 0 0 304.415 3.819 10 0 DHAERN O=C(NCc1ccccc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116406154 337392652 /nfs/dbraw/zinc/39/26/52/337392652.db2.gz GOBHXHNZZGQAMO-CQSZACIVSA-N 0 0 304.777 3.980 10 0 DHAERN O=C(NCCc1c(F)cccc1F)N1CCC[C@H]1c1ccco1 ZINC000116420101 337392677 /nfs/dbraw/zinc/39/26/77/337392677.db2.gz VUWNFZCNRZZVNF-HNNXBMFYSA-N 0 0 320.339 3.647 10 0 DHAERN O=C(NCc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116406113 337392747 /nfs/dbraw/zinc/39/27/47/337392747.db2.gz HPGIXLYSUSLIBF-CQSZACIVSA-N 0 0 304.777 3.980 10 0 DHAERN CC(C)(C)c1nnc(NC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116489673 337392829 /nfs/dbraw/zinc/39/28/29/337392829.db2.gz IUCHIBXQTXPTOC-JTQLQIEISA-N 0 0 320.418 3.798 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3coc4ccccc34)CC2)cn1 ZINC000124031056 337403245 /nfs/dbraw/zinc/40/32/45/337403245.db2.gz VLXJKLZYJJCUBD-UHFFFAOYSA-N 0 0 323.396 3.669 10 0 DHAERN C[C@@H](CC(=O)N1CCC(c2ccnn2C)CC1)C1CCCCC1 ZINC000124300038 337404635 /nfs/dbraw/zinc/40/46/35/337404635.db2.gz FIULPIOKUIFPRV-HNNXBMFYSA-N 0 0 317.477 3.733 10 0 DHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000124465106 337405533 /nfs/dbraw/zinc/40/55/33/337405533.db2.gz YECRNDWIPUKNPH-INIZCTEOSA-N 0 0 317.477 3.733 10 0 DHAERN C[C@H](NC(=O)N[C@H](c1ccco1)c1ccccc1)c1ccncc1 ZINC000043185963 337409953 /nfs/dbraw/zinc/40/99/53/337409953.db2.gz PNBFIIODSMIDAY-KSSFIOAISA-N 0 0 321.380 3.824 10 0 DHAERN C[C@H](CC(=O)N1CCC(Cn2cccn2)CC1)C1CCCCC1 ZINC000125969312 337414851 /nfs/dbraw/zinc/41/48/51/337414851.db2.gz UONSAKCNWHOCOI-MRXNPFEDSA-N 0 0 317.477 3.728 10 0 DHAERN CCC[C@](C)(O)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000126759268 337417726 /nfs/dbraw/zinc/41/77/26/337417726.db2.gz RSTQHEAQEWWMJK-DYVFJYSZSA-N 0 0 324.490 3.524 10 0 DHAERN C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000045547835 337421063 /nfs/dbraw/zinc/42/10/63/337421063.db2.gz KVQBECICYCVYEP-TZYSRNFLSA-N 0 0 312.413 3.504 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000127764471 337422304 /nfs/dbraw/zinc/42/23/04/337422304.db2.gz XCGJCTCZIBODAB-IRXDYDNUSA-N 0 0 300.402 3.800 10 0 DHAERN C[C@H](NC(=O)CSc1ccc(O)cc1)c1ccc(F)c(F)c1 ZINC000129567764 337429902 /nfs/dbraw/zinc/42/99/02/337429902.db2.gz HXYRYAXZXWSDAX-JTQLQIEISA-N 0 0 323.364 3.640 10 0 DHAERN Cc1cc(C)c([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142970 337436478 /nfs/dbraw/zinc/43/64/78/337436478.db2.gz UJRDPLIZJCWELC-JKSUJKDBSA-N 0 0 312.461 3.951 10 0 DHAERN CC(C)(CNC(=O)[C@H]1C[C@H]1C1CCCCC1)c1ccncc1 ZINC000131872438 337439219 /nfs/dbraw/zinc/43/92/19/337439219.db2.gz VCZHIGGPNDTARW-IRXDYDNUSA-N 0 0 300.446 3.692 10 0 DHAERN CCn1ccnc1CNc1ccc(Br)cc1Cl ZINC000051921435 337446604 /nfs/dbraw/zinc/44/66/04/337446604.db2.gz PHMXUYDLNOZXSH-UHFFFAOYSA-N 0 0 314.614 3.931 10 0 DHAERN C[C@@H](NC(=O)CSc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000055743462 337455665 /nfs/dbraw/zinc/45/56/65/337455665.db2.gz VXOQJZDENSXIGZ-SNVBAGLBSA-N 0 0 324.808 3.844 10 0 DHAERN COCCOc1ccccc1NC(=O)N[C@H](C)c1cccs1 ZINC000057477817 337457942 /nfs/dbraw/zinc/45/79/42/337457942.db2.gz KMUDNOOQLRNVLC-GFCCVEGCSA-N 0 0 320.414 3.656 10 0 DHAERN O=C(CCc1ccccc1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555197 337460207 /nfs/dbraw/zinc/46/02/07/337460207.db2.gz KBZUCOALTJCSAL-IBGZPJMESA-N 0 0 323.436 3.937 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@@H]1CCCc2cccnc21 ZINC000194804428 337463854 /nfs/dbraw/zinc/46/38/54/337463854.db2.gz AINWODKMQMCNIZ-MSOLQXFVSA-N 0 0 324.399 3.834 10 0 DHAERN CCCCc1nc(CN2CCO[C@@H](c3nccs3)C2)cs1 ZINC000195521880 337468165 /nfs/dbraw/zinc/46/81/65/337468165.db2.gz GQNMLORMZMWWCO-CYBMUJFWSA-N 0 0 323.487 3.516 10 0 DHAERN CCc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000246037195 337507019 /nfs/dbraw/zinc/50/70/19/337507019.db2.gz OKJBGYSWFDRQEB-KMFMINBZSA-N 0 0 305.418 3.853 10 0 DHAERN Cc1cc(Oc2ncccn2)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000068490687 337544721 /nfs/dbraw/zinc/54/47/21/337544721.db2.gz RQJFCAXSQNUFHE-ZDUSSCGKSA-N 0 0 314.389 3.743 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000246581721 337553843 /nfs/dbraw/zinc/55/38/43/337553843.db2.gz LQQDYVBWTMCGAF-WQVCFCJDSA-N 0 0 303.450 3.527 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(Cl)c1 ZINC000246821559 337555363 /nfs/dbraw/zinc/55/53/63/337555363.db2.gz JEOBHIRDXAVXDQ-BSLXNSKLSA-N 0 0 322.836 3.514 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248543276 337564511 /nfs/dbraw/zinc/56/45/11/337564511.db2.gz IQQWCJRCGQTDOC-OSRSDYAFSA-N 0 0 317.477 3.773 10 0 DHAERN CC[C@H](CCO)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000077753505 337584432 /nfs/dbraw/zinc/58/44/32/337584432.db2.gz HSSRZFQMASFTPA-MWLCHTKSSA-N 0 0 319.232 3.515 10 0 DHAERN Cc1nc(Cc2noc([C@H]3C[C@H]3c3ccc(C(C)C)cc3)n2)no1 ZINC000077967864 337587280 /nfs/dbraw/zinc/58/72/80/337587280.db2.gz NNORKKUFFUQDSO-GJZGRUSLSA-N 0 0 324.384 3.746 10 0 DHAERN CCC1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000078233701 337592403 /nfs/dbraw/zinc/59/24/03/337592403.db2.gz QQDNDWLYPXLCEI-UHFFFAOYSA-N 0 0 314.429 3.512 10 0 DHAERN COCc1cnc(NCc2csc(Br)c2)s1 ZINC000285303052 337595068 /nfs/dbraw/zinc/59/50/68/337595068.db2.gz UUGICQPLYWLYJY-UHFFFAOYSA-N 0 0 319.249 3.726 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)c1ccc(OC2CCC2)cc1 ZINC000262003164 337614167 /nfs/dbraw/zinc/61/41/67/337614167.db2.gz HQDCHAYAOFNEBF-UHFFFAOYSA-N 0 0 322.408 3.793 10 0 DHAERN CC1CCC(C[NH2+][C@@H](CCC(=O)[O-])Cc2ccccc2)CC1 ZINC000262716080 337620813 /nfs/dbraw/zinc/62/08/13/337620813.db2.gz RXGUITGOQXNZQK-VJFUWPCTSA-N 0 0 303.446 3.878 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000079412701 337621599 /nfs/dbraw/zinc/62/15/99/337621599.db2.gz ZETLKHIHABDIET-HZPDHXFCSA-N 0 0 307.459 3.549 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 ZINC000263424305 337628714 /nfs/dbraw/zinc/62/87/14/337628714.db2.gz PYCRDKKMNAAZMF-KBPBESRZSA-N 0 0 315.335 3.843 10 0 DHAERN CC(C)(C)[C@H](NC(=O)[C@H]1CCCn2ccnc21)c1cccs1 ZINC000080597017 337680402 /nfs/dbraw/zinc/68/04/02/337680402.db2.gz QGKBPFNPVCJUNF-GXTWGEPZSA-N 0 0 317.458 3.726 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081579369 337725920 /nfs/dbraw/zinc/72/59/20/337725920.db2.gz WTQCRRGHOHSKGQ-HUUCEWRRSA-N 0 0 306.454 3.534 10 0 DHAERN Cc1oc(Br)cc1C(=O)N[C@H](C)c1cccs1 ZINC000396744181 337732341 /nfs/dbraw/zinc/73/23/41/337732341.db2.gz WGCQETPZINWQTK-SSDOTTSWSA-N 0 0 314.204 3.903 10 0 DHAERN COc1c(Br)cc(Cl)c2cnc(Cl)nc21 ZINC000116725248 337744892 /nfs/dbraw/zinc/74/48/92/337744892.db2.gz OMDFBFBORXNGFZ-UHFFFAOYSA-N 0 0 307.962 3.708 10 0 DHAERN COc1ccc([C@@H](C)C(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000107438678 337829077 /nfs/dbraw/zinc/82/90/77/337829077.db2.gz SXVWLPVEHOMZLT-OAHLLOKOSA-N 0 0 309.409 3.994 10 0 DHAERN CC[C@@H](CCO)CNC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000119308959 337857305 /nfs/dbraw/zinc/85/73/05/337857305.db2.gz BARDOVSLVYJAJT-CABCVRRESA-N 0 0 320.477 3.753 10 0 DHAERN Fc1ccccc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202460 337879084 /nfs/dbraw/zinc/87/90/84/337879084.db2.gz PNSYJLOQSSATQG-HNNXBMFYSA-N 0 0 317.751 3.741 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H]1CCc1ccccc1 ZINC000091169744 337890165 /nfs/dbraw/zinc/89/01/65/337890165.db2.gz CSBZSGPJKQFHJI-VQTJNVASSA-N 0 0 323.436 3.734 10 0 DHAERN CC(=O)c1ccc(NC(=O)NC2C3CC4CC(C3)CC2C4)cc1 ZINC000121682356 337897185 /nfs/dbraw/zinc/89/71/85/337897185.db2.gz HIBKTHKOTUYFGE-UHFFFAOYSA-N 0 0 312.413 3.835 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)NCCCOC1CCCC1 ZINC000061018734 337924300 /nfs/dbraw/zinc/92/43/00/337924300.db2.gz VNJATXCAKBCOQW-OAHLLOKOSA-N 0 0 304.434 3.705 10 0 DHAERN C[C@H](NC(=O)N1CC2(CCCC2)c2ccccc21)[C@H]1CCCO1 ZINC000083702923 337996977 /nfs/dbraw/zinc/99/69/77/337996977.db2.gz SHPOLIAHFZKCNJ-WMLDXEAASA-N 0 0 314.429 3.596 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCCc2ccc(F)cc2C)o1 ZINC000087054725 338004820 /nfs/dbraw/zinc/00/48/20/338004820.db2.gz KNAJRJNQVKNWRF-ZDUSSCGKSA-N 0 0 304.365 3.638 10 0 DHAERN C[C@@H]1CCN(C[C@H](O)COCc2ccccc2)c2ccccc21 ZINC000303422238 340325140 /nfs/dbraw/zinc/32/51/40/340325140.db2.gz CSJWDORRZXBFMF-AEFFLSMTSA-N 0 0 311.425 3.578 10 0 DHAERN C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000172914172 340348139 /nfs/dbraw/zinc/34/81/39/340348139.db2.gz MFBKTLRLEGOZKP-SUMWQHHRSA-N 0 0 313.372 3.644 10 0 DHAERN CC(C)CN(C(=O)N[C@@H](C)COCc1ccccc1)C(C)C ZINC000173337596 340362916 /nfs/dbraw/zinc/36/29/16/340362916.db2.gz BLEHJAGBYHYVLA-INIZCTEOSA-N 0 0 306.450 3.668 10 0 DHAERN CC(C)C1CCN(C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000173375319 340363619 /nfs/dbraw/zinc/36/36/19/340363619.db2.gz CMOIEGMMRGWSKO-INIZCTEOSA-N 0 0 302.418 3.588 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C3C(C)(C)C3(C)C)C2)n1 ZINC000173375822 340363734 /nfs/dbraw/zinc/36/37/34/340363734.db2.gz VKFXRPDHWZFEIK-GFCCVEGCSA-N 0 0 306.475 3.840 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(F)cc1F ZINC000174334990 340386374 /nfs/dbraw/zinc/38/63/74/340386374.db2.gz BPGZJCFTKKSPGJ-GFCCVEGCSA-N 0 0 320.339 3.692 10 0 DHAERN C[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000174852533 340397460 /nfs/dbraw/zinc/39/74/60/340397460.db2.gz WMECMWBLRMXLGO-MROQNXINSA-N 0 0 306.372 3.938 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)N[C@@H](CC)COC)o1 ZINC000175176938 340404412 /nfs/dbraw/zinc/40/44/12/340404412.db2.gz WUOXVYKUQUSMES-DZGCQCFKSA-N 0 0 308.422 3.504 10 0 DHAERN O=C(c1cccc2c1CCC2)N1CCCC[C@@H]1c1nccs1 ZINC000175294621 340408216 /nfs/dbraw/zinc/40/82/16/340408216.db2.gz LPWJRTRZUTWASQ-MRXNPFEDSA-N 0 0 312.438 3.999 10 0 DHAERN CCC[C@H](CCO)CNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000176189193 340425682 /nfs/dbraw/zinc/42/56/82/340425682.db2.gz ZRMQZRWVMUGQNH-ATZDWAIDSA-N 0 0 317.473 3.828 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOc3ncccc32)cc1 ZINC000177236260 340437970 /nfs/dbraw/zinc/43/79/70/340437970.db2.gz MQGBKGRCDYMDAJ-IRXDYDNUSA-N 0 0 322.408 3.734 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc21)[C@@H](C)c1ccccc1 ZINC000177449317 340440458 /nfs/dbraw/zinc/44/04/58/340440458.db2.gz MXVPNLSWSUWOQG-JKIFEVAISA-N 0 0 310.397 3.612 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)O1 ZINC000178077365 340446652 /nfs/dbraw/zinc/44/66/52/340446652.db2.gz SYFFIEXARMJEER-OAUYIBNBSA-N 0 0 305.393 3.741 10 0 DHAERN Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)cc1 ZINC000178938805 340452522 /nfs/dbraw/zinc/45/25/22/340452522.db2.gz VJJJDZVAGVKKOK-KBXCAEBGSA-N 0 0 322.408 3.688 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NCCc1ccccn1 ZINC000178936659 340452603 /nfs/dbraw/zinc/45/26/03/340452603.db2.gz UVWWZKNBCUZGKF-SFHVURJKSA-N 0 0 323.440 3.637 10 0 DHAERN CCc1noc(CC)c1CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000087433446 340456898 /nfs/dbraw/zinc/45/68/98/340456898.db2.gz JYKHYEAONWVKHO-UONOGXRCSA-N 0 0 304.434 3.632 10 0 DHAERN CCCOc1ccc(Cl)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000189022110 340524607 /nfs/dbraw/zinc/52/46/07/340524607.db2.gz CTJALKPUFCYFGB-AAEUAGOBSA-N 0 0 311.809 3.882 10 0 DHAERN O=C(Nc1ccc(OC2COC2)cc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000189612781 340538526 /nfs/dbraw/zinc/53/85/26/340538526.db2.gz BWLRZVCLFGDJFE-MSOLQXFVSA-N 0 0 315.413 3.619 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000189840034 340540318 /nfs/dbraw/zinc/54/03/18/340540318.db2.gz PHQHDJHLRLGWSQ-OCCSQVGLSA-N 0 0 323.383 3.665 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2c(C)ccn2C)o1 ZINC000189900471 340540956 /nfs/dbraw/zinc/54/09/56/340540956.db2.gz JRQAXEHGSYHLQE-OAHLLOKOSA-N 0 0 300.402 3.856 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000190658561 340546321 /nfs/dbraw/zinc/54/63/21/340546321.db2.gz KZXZEHKGGDALFF-SWLSCSKDSA-N 0 0 309.837 3.549 10 0 DHAERN O=C(Nc1cc(Cl)cc(Cl)c1)N[C@H]1CCCC[C@@H]1CO ZINC000223672076 340546958 /nfs/dbraw/zinc/54/69/58/340546958.db2.gz TXUSWUUYGRTWTO-RNCFNFMXSA-N 0 0 317.216 3.666 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000190958388 340548635 /nfs/dbraw/zinc/54/86/35/340548635.db2.gz ARPVONXVKIBVGH-UCLAIMLFSA-N 0 0 313.441 3.870 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000191055689 340549450 /nfs/dbraw/zinc/54/94/50/340549450.db2.gz PPTQTVDEFGGYIU-CZUORRHYSA-N 0 0 321.848 3.693 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N2CCSC[C@@H](C)C2)cc1 ZINC000192279374 340565668 /nfs/dbraw/zinc/56/56/68/340565668.db2.gz LUWZQCRWSUELPU-KBPBESRZSA-N 0 0 306.475 3.705 10 0 DHAERN C[C@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(Cl)s1 ZINC000192293472 340565865 /nfs/dbraw/zinc/56/58/65/340565865.db2.gz VOAOCHFJWLVXPN-ZJUUUORDSA-N 0 0 318.895 3.857 10 0 DHAERN Cc1ccc(-c2nnco2)cc1NCc1ncc(Cl)s1 ZINC000225372988 340567061 /nfs/dbraw/zinc/56/70/61/340567061.db2.gz QNEKQFBMUQEIGB-UHFFFAOYSA-N 0 0 306.778 3.767 10 0 DHAERN O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H](C(F)(F)F)C1 ZINC000193037804 340571846 /nfs/dbraw/zinc/57/18/46/340571846.db2.gz RXZBMHFRBQOGMW-HNNXBMFYSA-N 0 0 311.347 3.980 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)C(=O)c2ccccc2)o1 ZINC000194348088 340591468 /nfs/dbraw/zinc/59/14/68/340591468.db2.gz NGTIOJNLNYSRQP-INIZCTEOSA-N 0 0 311.381 3.779 10 0 DHAERN CCCOc1cccc(NC(=O)N[C@@H]2COc3ccccc32)c1 ZINC000194728889 340595416 /nfs/dbraw/zinc/59/54/16/340595416.db2.gz HUHFHCSMZBSMNM-MRXNPFEDSA-N 0 0 312.369 3.731 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)NCc1sccc1Br ZINC000230057465 340617913 /nfs/dbraw/zinc/61/79/13/340617913.db2.gz AMAYUIDHLGDUAT-IUCAKERBSA-N 0 0 302.237 3.563 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccccc1Br ZINC000230169224 340619295 /nfs/dbraw/zinc/61/92/95/340619295.db2.gz QMKUTHPNHYPPGI-WCQYABFASA-N 0 0 310.235 3.844 10 0 DHAERN CCC[C@@H]1C[C@H]1NC(=O)c1cccc(Br)c1F ZINC000233304810 340645444 /nfs/dbraw/zinc/64/54/44/340645444.db2.gz ZEARBBUYPVFHGF-LDYMZIIASA-N 0 0 300.171 3.507 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000238015076 340675589 /nfs/dbraw/zinc/67/55/89/340675589.db2.gz PXTLNVVRFHCFMX-IEBWSBKVSA-N 0 0 322.408 3.761 10 0 DHAERN C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1cccs1 ZINC000026244710 340704817 /nfs/dbraw/zinc/70/48/17/340704817.db2.gz GPVPRFYNNNXOJL-SNVBAGLBSA-N 0 0 317.439 3.918 10 0 DHAERN CCC[C@@H](C(=O)NC1(c2noc(CC)n2)CCCC1)C(C)C ZINC000123635489 340792933 /nfs/dbraw/zinc/79/29/33/340792933.db2.gz WVSWKESJLMXLGO-CYBMUJFWSA-N 0 0 307.438 3.590 10 0 DHAERN C[C@@H](NCC(=O)NC(C)(C)C)c1c(Cl)ccc(F)c1Cl ZINC000125814834 340810478 /nfs/dbraw/zinc/81/04/78/340810478.db2.gz IXRFWQQCCODQAI-MRVPVSSYSA-N 0 0 321.223 3.698 10 0 DHAERN Cc1cc(C)nc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000125847342 340812076 /nfs/dbraw/zinc/81/20/76/340812076.db2.gz OVZLNHSOXDLFME-LLVKDONJSA-N 0 0 305.328 3.859 10 0 DHAERN COC[C@@H](NC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000126557208 340828482 /nfs/dbraw/zinc/82/84/82/340828482.db2.gz CEFQYGQAYNTCLJ-FZKQIMNGSA-N 0 0 312.413 3.625 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCOC3(C2)CCCCCC3)o1 ZINC000129989693 340992097 /nfs/dbraw/zinc/99/20/97/340992097.db2.gz JMBAIZYBSHMPRR-HNNXBMFYSA-N 0 0 320.433 3.784 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC000542223965 341001013 /nfs/dbraw/zinc/00/10/13/341001013.db2.gz GGPFQRKXVGHXFD-GWCFXTLKSA-N 0 0 308.219 3.774 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000130410691 341020979 /nfs/dbraw/zinc/02/09/79/341020979.db2.gz WNXDDRFDVQJOIV-VXGBXAGGSA-N 0 0 319.788 3.849 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(Cl)cc1F ZINC000130514979 341025409 /nfs/dbraw/zinc/02/54/09/341025409.db2.gz CDHSTCQLQMYRNR-HNNXBMFYSA-N 0 0 321.783 3.878 10 0 DHAERN COC(=O)CCCC(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000130937390 341054517 /nfs/dbraw/zinc/05/45/17/341054517.db2.gz SSJSCQLVXROETK-CYBMUJFWSA-N 0 0 305.418 3.505 10 0 DHAERN COc1ccccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434201 341116629 /nfs/dbraw/zinc/11/66/29/341116629.db2.gz RACHOGUHRRVJMU-QWRGUYRKSA-N 0 0 301.308 3.546 10 0 DHAERN CC1(C)CCC(CC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000132871211 341147992 /nfs/dbraw/zinc/14/79/92/341147992.db2.gz KRIIEQREJKLCKS-APWZRJJASA-N 0 0 307.478 3.747 10 0 DHAERN CC[C@@H](C)OCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000132904903 341149070 /nfs/dbraw/zinc/14/90/70/341149070.db2.gz SMORVBUTGSUGJU-ZBFHGGJFSA-N 0 0 317.429 3.754 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCn2c3ccccc3nc21 ZINC000133397111 341174519 /nfs/dbraw/zinc/17/45/19/341174519.db2.gz ZDCQHSDSFXMGNT-LSDHHAIUSA-N 0 0 309.413 3.599 10 0 DHAERN CCn1cc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000076059660 341198488 /nfs/dbraw/zinc/19/84/88/341198488.db2.gz DJSGBHPUFBJEQN-QLFDAEIZSA-N 0 0 316.449 3.629 10 0 DHAERN CC(C)[C@H](C)CNC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000076471259 341207947 /nfs/dbraw/zinc/20/79/47/341207947.db2.gz AHOTWFXEAVXYBK-HUUCEWRRSA-N 0 0 314.433 3.525 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCCO2)c1 ZINC000134632064 341220401 /nfs/dbraw/zinc/22/04/01/341220401.db2.gz WZNNECYNYFQZQN-NJAFHUGGSA-N 0 0 316.445 3.717 10 0 DHAERN CCOc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000078491056 341242935 /nfs/dbraw/zinc/24/29/35/341242935.db2.gz QFOKYDSTRPPBTA-OLZOCXBDSA-N 0 0 315.335 3.936 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1cccc(Br)c1Cl ZINC000135996798 341249794 /nfs/dbraw/zinc/24/97/94/341249794.db2.gz XNWWOLWGTXYLIQ-QMMMGPOBSA-N 0 0 304.615 3.877 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000079614805 341262060 /nfs/dbraw/zinc/26/20/60/341262060.db2.gz BZAMLSWPPBCVRB-FHLIZLRMSA-N 0 0 319.420 3.564 10 0 DHAERN CC(C)CCOc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000081108824 341279918 /nfs/dbraw/zinc/27/99/18/341279918.db2.gz URQIIZBRXGFEAF-HUUCEWRRSA-N 0 0 320.433 3.753 10 0 DHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000081937645 341310532 /nfs/dbraw/zinc/31/05/32/341310532.db2.gz RMYKHIMUAZPSMZ-PBHICJAKSA-N 0 0 318.461 3.750 10 0 DHAERN CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CCS[C@@H](C)C1 ZINC000246066640 341323445 /nfs/dbraw/zinc/32/34/45/341323445.db2.gz AXQFRRKNWZQBBT-KKUMJFAQSA-N 0 0 320.502 3.964 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000246642207 341354991 /nfs/dbraw/zinc/35/49/91/341354991.db2.gz HKAGVYMKMKFZBD-WDMOLILDSA-N 0 0 322.380 3.792 10 0 DHAERN CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000246963358 341359144 /nfs/dbraw/zinc/35/91/44/341359144.db2.gz PVHYRAVCADCWKS-FGTMMUONSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Br)c1 ZINC000247091459 341360964 /nfs/dbraw/zinc/36/09/64/341360964.db2.gz VTQKEVFLPWDZCM-OLRMPSLUSA-N 0 0 308.219 3.672 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@H]2CCCO2)c1C ZINC000247467838 341365411 /nfs/dbraw/zinc/36/54/11/341365411.db2.gz RPUBFUBPOCCDPH-BPQIPLTHSA-N 0 0 316.445 3.717 10 0 DHAERN CC(C)CCc1nc(CN2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000247966838 341371564 /nfs/dbraw/zinc/37/15/64/341371564.db2.gz GXRJIEKYILZQSO-MAUKXSAKSA-N 0 0 322.518 3.859 10 0 DHAERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248706001 341384778 /nfs/dbraw/zinc/38/47/78/341384778.db2.gz HFIMTTCUFZNMMP-YONAWACDSA-N 0 0 301.430 3.595 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000248830890 341388119 /nfs/dbraw/zinc/38/81/19/341388119.db2.gz IEGIISRJMPQQIM-UVBJJODRSA-N 0 0 307.821 3.722 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248965343 341390930 /nfs/dbraw/zinc/39/09/30/341390930.db2.gz NTDITQSHNNMBSW-IJLUTSLNSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000249298697 341396196 /nfs/dbraw/zinc/39/61/96/341396196.db2.gz FGOUOXLAWQWOJW-VOAKCMCISA-N 0 0 306.372 3.795 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1sccc1-n1cccc1 ZINC000143016464 341399950 /nfs/dbraw/zinc/39/99/50/341399950.db2.gz SYRAYRMHJGHNBL-AWEZNQCLSA-N 0 0 324.405 3.792 10 0 DHAERN CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H]2CCCO[C@H]2C)cc1 ZINC000249635182 341399987 /nfs/dbraw/zinc/39/99/87/341399987.db2.gz RNFNUKPQFDMOSG-VKJFTORMSA-N 0 0 303.446 3.672 10 0 DHAERN CC[C@H](CSC)N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000091150018 341422735 /nfs/dbraw/zinc/42/27/35/341422735.db2.gz JPYGFGPNDJPOJZ-JHJVBQTASA-N 0 0 313.413 3.668 10 0 DHAERN CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)cs1 ZINC000163037192 341456179 /nfs/dbraw/zinc/45/61/79/341456179.db2.gz GBCRGCMKNFTVJN-LSDHHAIUSA-N 0 0 306.475 3.581 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000253546886 341457575 /nfs/dbraw/zinc/45/75/75/341457575.db2.gz ZRFZYOZKNHTNGT-KBAYOESNSA-N 0 0 316.445 3.566 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1ccc(C(F)(F)F)cc1)C(C)C ZINC000153043209 341522005 /nfs/dbraw/zinc/52/20/05/341522005.db2.gz CNCQDHWDMAQNNU-RISCZKNCSA-N 0 0 317.351 3.801 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Sc3ccncc3)cc2)O1 ZINC000153213330 341530123 /nfs/dbraw/zinc/53/01/23/341530123.db2.gz VEETXYKGBHTLNK-BLLLJJGKSA-N 0 0 314.410 3.739 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)N(C)CC2CCOCC2)c2ccccc21 ZINC000153691143 341577197 /nfs/dbraw/zinc/57/71/97/341577197.db2.gz RHHRJSVKSKGDIA-KBXCAEBGSA-N 0 0 316.445 3.693 10 0 DHAERN CC(C)[C@H](O)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000153791074 341579181 /nfs/dbraw/zinc/57/91/81/341579181.db2.gz KDICAGPIQYFDBP-GOSISDBHSA-N 0 0 313.397 3.611 10 0 DHAERN CC(C)[C@@H](O)CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000154356230 341588324 /nfs/dbraw/zinc/58/83/24/341588324.db2.gz MFQVVDBUHHGHBY-BEFAXECRSA-N 0 0 311.425 3.938 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N(C)CC2CC2)cc1 ZINC000155428293 341607500 /nfs/dbraw/zinc/60/75/00/341607500.db2.gz VZFRLNVUNKXQLY-CQSZACIVSA-N 0 0 304.434 3.834 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N2CCSCC2)cc1 ZINC000155460956 341607963 /nfs/dbraw/zinc/60/79/63/341607963.db2.gz MJJUXRAADXOXOX-CQSZACIVSA-N 0 0 322.474 3.541 10 0 DHAERN COC(=O)[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1C ZINC000163264936 341638538 /nfs/dbraw/zinc/63/85/38/341638538.db2.gz XLMFVMXXSWUJQV-SJKOYZFVSA-N 0 0 319.351 3.838 10 0 DHAERN CCC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)C(=O)OC(C)(C)C ZINC000157487686 341639179 /nfs/dbraw/zinc/63/91/79/341639179.db2.gz HBYKHPTWBMTRDE-UKRRQHHQSA-N 0 0 309.454 3.625 10 0 DHAERN C[C@H](N[C@@H](C)c1cc(Cl)sc1Cl)c1ncn(C)n1 ZINC000275624522 341651693 /nfs/dbraw/zinc/65/16/93/341651693.db2.gz AIPYPJIQYKDDFO-BQBZGAKWSA-N 0 0 305.234 3.595 10 0 DHAERN Cc1cnc(CNC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000158325967 341654998 /nfs/dbraw/zinc/65/49/98/341654998.db2.gz XUHHEUJUAWMQIY-ABAIWWIYSA-N 0 0 315.442 3.889 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCS1 ZINC000171369651 341776274 /nfs/dbraw/zinc/77/62/74/341776274.db2.gz AWWOXDWVVZBNOU-CYBMUJFWSA-N 0 0 320.458 3.977 10 0 DHAERN Cc1cc(C)c(C(=O)Nc2cccc(-c3ncon3)c2)c(C)c1 ZINC000090508584 518186690 /nfs/dbraw/zinc/18/66/90/518186690.db2.gz XFBWDDIZUTZBIZ-UHFFFAOYSA-N 0 0 307.353 3.914 10 0 DHAERN C/C(=C\c1ccccc1)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000179845262 518444378 /nfs/dbraw/zinc/44/43/78/518444378.db2.gz KMNKUDYESWWJLQ-IDKBZEPQSA-N 0 0 314.454 3.928 10 0 DHAERN CC(C)N(C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000121039166 519566114 /nfs/dbraw/zinc/56/61/14/519566114.db2.gz MVQHBSKZXPYVTH-HNNXBMFYSA-N 0 0 302.418 3.871 10 0 DHAERN CC(C)N(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000161874579 519638745 /nfs/dbraw/zinc/63/87/45/519638745.db2.gz VTDFTXVVEXPOGO-GHMZBOCLSA-N 0 0 303.299 3.570 10 0 DHAERN CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccccc2C)c1C ZINC000188157068 519737412 /nfs/dbraw/zinc/73/74/12/519737412.db2.gz ICGLUVCECHUYDH-AWEZNQCLSA-N 0 0 310.397 3.753 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000170779202 520511440 /nfs/dbraw/zinc/51/14/40/520511440.db2.gz PHPMZAQFXYGNDJ-CQSZACIVSA-N 0 0 321.371 3.630 10 0 DHAERN CCCCNC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173921170 520634676 /nfs/dbraw/zinc/63/46/76/520634676.db2.gz DBVXFOFZPFQCSG-CYBMUJFWSA-N 0 0 309.479 3.956 10 0 DHAERN CCCCOc1ccc(OC)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000188608441 520891723 /nfs/dbraw/zinc/89/17/23/520891723.db2.gz FSVPRONJVNPNMK-DZGCQCFKSA-N 0 0 321.417 3.628 10 0 DHAERN CCC(=O)N1CC[C@H](C(=O)O[C@H](CC)c2cccc(Cl)c2)C1 ZINC000124750680 521144407 /nfs/dbraw/zinc/14/44/07/521144407.db2.gz VFOLMXROZUEKGX-DZGCQCFKSA-N 0 0 323.820 3.593 10 0 DHAERN CCOCCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000102852008 521676841 /nfs/dbraw/zinc/67/68/41/521676841.db2.gz LMDKAABLTQTCDK-MRVPVSSYSA-N 0 0 308.180 3.736 10 0 DHAERN CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccccc2C)cc1 ZINC000182532493 521685926 /nfs/dbraw/zinc/68/59/26/521685926.db2.gz KNYFZQMEDLWBMT-AWEZNQCLSA-N 0 0 318.442 3.930 10 0 DHAERN CCNC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182515962 521746942 /nfs/dbraw/zinc/74/69/42/521746942.db2.gz XSKPSBDGLLMVKV-AAEUAGOBSA-N 0 0 302.201 3.597 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000103361135 522178426 /nfs/dbraw/zinc/17/84/26/522178426.db2.gz GXKUXGHWPLAYQO-SNVBAGLBSA-N 0 0 316.382 3.777 10 0 DHAERN CCc1nc(CCNC(=O)NC2CCC(CC)CC2)cs1 ZINC000102447707 522270150 /nfs/dbraw/zinc/27/01/50/522270150.db2.gz RPMRXNIHFJMGLW-UHFFFAOYSA-N 0 0 309.479 3.516 10 0 DHAERN CCc1nc([C@H](C)NC(=O)N[C@@H](C)c2cccs2)cs1 ZINC000171827566 522446039 /nfs/dbraw/zinc/44/60/39/522446039.db2.gz BSNSZDSDLJWYPF-UWVGGRQHSA-N 0 0 309.460 3.888 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1csc(Cl)c1 ZINC000191337019 522510937 /nfs/dbraw/zinc/51/09/37/522510937.db2.gz IADUQPQFVIAEHE-ONGXEEELSA-N 0 0 310.854 3.741 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2ccc(C)cc2)C1 ZINC000130850664 522589632 /nfs/dbraw/zinc/58/96/32/522589632.db2.gz XRDKLEVEUPBQGM-MRXNPFEDSA-N 0 0 312.417 3.623 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000130835331 522600449 /nfs/dbraw/zinc/60/04/49/522600449.db2.gz ZYDJMHAURPKWFL-INIZCTEOSA-N 0 0 312.417 3.623 10 0 DHAERN CCc1ncsc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127919239 522621464 /nfs/dbraw/zinc/62/14/64/522621464.db2.gz OWUPCWXDJGFMEQ-DTWKUNHWSA-N 0 0 306.353 3.556 10 0 DHAERN CN(CC1CC1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157594731 522622157 /nfs/dbraw/zinc/62/21/57/522622157.db2.gz WZHRRBCNBLXKLA-INIZCTEOSA-N 0 0 314.429 3.874 10 0 DHAERN CCc1nnc(CN[C@@H](C)c2ccc(OCCC(C)C)cc2)o1 ZINC000181730831 522744529 /nfs/dbraw/zinc/74/45/29/522744529.db2.gz VSGDYVYFJYAFAQ-AWEZNQCLSA-N 0 0 317.433 3.908 10 0 DHAERN COCc1ccsc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000180205798 523141199 /nfs/dbraw/zinc/14/11/99/523141199.db2.gz CTGILSQYDFXYDY-QWRGUYRKSA-N 0 0 321.364 3.745 10 0 DHAERN COC(=O)Nc1ccc(CNc2noc(-c3ccccc3)n2)cc1 ZINC000157113958 523467729 /nfs/dbraw/zinc/46/77/29/523467729.db2.gz KTRKOWXEJHWHIW-UHFFFAOYSA-N 0 0 324.340 3.527 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@@H]2c3cc(C)ccc3C[C@@H]2C)CCO1 ZINC000181243262 523561412 /nfs/dbraw/zinc/56/14/12/523561412.db2.gz VKVAJEYTQALLLZ-ZDRJDWQYSA-N 0 0 301.430 3.550 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N(C)CCc2nccs2)cc1 ZINC000162923145 524043702 /nfs/dbraw/zinc/04/37/02/524043702.db2.gz NKOCBVITMGLHAX-ZDUSSCGKSA-N 0 0 317.458 3.651 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC[C@@H]2CCOC2)o1 ZINC000177450247 524052993 /nfs/dbraw/zinc/05/29/93/524052993.db2.gz DVSRLRHGFVDBOB-GDBMZVCRSA-N 0 0 305.418 3.712 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CCOCC(F)F)o1 ZINC000188053400 524053033 /nfs/dbraw/zinc/05/30/33/524053033.db2.gz HJXUIILQCDORHX-CYBMUJFWSA-N 0 0 315.360 3.567 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)[C@@H](C)CCCOC)o1 ZINC000182993967 524053080 /nfs/dbraw/zinc/05/30/80/524053080.db2.gz KUHOLLVNXJNXID-GOEBONIOSA-N 0 0 307.434 3.958 10 0 DHAERN Cc1ccc(C)c(OCCC(=O)N2CCCc3c(N)cccc32)c1 ZINC000237669614 524167977 /nfs/dbraw/zinc/16/79/77/524167977.db2.gz AVKNEMCQRJQGEJ-UHFFFAOYSA-N 0 0 324.424 3.634 10 0 DHAERN Cc1cc(C)c(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)o1 ZINC000176974139 524224798 /nfs/dbraw/zinc/22/47/98/524224798.db2.gz IQKKYJDGXMIGJT-DLBZAZTESA-N 0 0 313.397 3.625 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)N(C)Cc2ccncc2)c2ccccc21 ZINC000153049309 524419359 /nfs/dbraw/zinc/41/93/59/524419359.db2.gz MEGSOYJBKFFUIY-KSSFIOAISA-N 0 0 309.413 3.862 10 0 DHAERN C[C@H](C[C@@H](O)c1ccccc1)NC(=O)N[C@@H](C)c1cccs1 ZINC000177454374 524619533 /nfs/dbraw/zinc/61/95/33/524619533.db2.gz NQZVWPHABROSEU-VNHYZAJKSA-N 0 0 318.442 3.621 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000157099367 524706844 /nfs/dbraw/zinc/70/68/44/524706844.db2.gz BCYRLYLTUFMDLA-DYVFJYSZSA-N 0 0 322.836 3.807 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151678150 524897253 /nfs/dbraw/zinc/89/72/53/524897253.db2.gz GCTPBVUDEJTKPY-DYVFJYSZSA-N 0 0 322.836 3.807 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000191142998 525014281 /nfs/dbraw/zinc/01/42/81/525014281.db2.gz NGYAHWNRPIWTNS-RISCZKNCSA-N 0 0 323.483 3.919 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000190175893 525014538 /nfs/dbraw/zinc/01/45/38/525014538.db2.gz FPXQUBUXINTXGB-SKDRFNHKSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000191128070 525018605 /nfs/dbraw/zinc/01/86/05/525018605.db2.gz XLFCUVKTIUGHOS-BXKDBHETSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H](NC(=O)Nc1cccnc1)c1cccc(Br)c1 ZINC000337317908 525118975 /nfs/dbraw/zinc/11/89/75/525118975.db2.gz YBJJULDKBGZRHJ-JTQLQIEISA-N 0 0 320.190 3.727 10 0 DHAERN Cc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000151771164 525141487 /nfs/dbraw/zinc/14/14/87/525141487.db2.gz CYRBGIMAQIRYRD-DYVFJYSZSA-N 0 0 322.836 3.807 10 0 DHAERN C[C@@H](NC(=O)NCCc1ccc(F)c(F)c1)c1cccs1 ZINC000188481391 525204179 /nfs/dbraw/zinc/20/41/79/525204179.db2.gz OGCWBTAKUZQLOT-SNVBAGLBSA-N 0 0 310.369 3.629 10 0 DHAERN C[C@@H](NC(=O)N[C@@H]1CCOc2ccc(F)cc21)c1cccs1 ZINC000171735129 525231643 /nfs/dbraw/zinc/23/16/43/525231643.db2.gz YBWPLKIAWDJWEX-ZWNOBZJWSA-N 0 0 320.389 3.771 10 0 DHAERN C[C@H](NCc1nnc(C2CC2)n1C1CC1)c1cccc(Cl)c1 ZINC000181573997 525495722 /nfs/dbraw/zinc/49/57/22/525495722.db2.gz QPIMHJPSLPSHPZ-NSHDSACASA-N 0 0 316.836 3.995 10 0 DHAERN Cc1cccnc1COC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000180327226 525527080 /nfs/dbraw/zinc/52/70/80/525527080.db2.gz ZWDSWDYDLVRORU-OLZOCXBDSA-N 0 0 303.308 3.515 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000191160430 525556543 /nfs/dbraw/zinc/55/65/43/525556543.db2.gz WANAJMSHQGNHGF-WPRPVWTQSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000190175911 525556721 /nfs/dbraw/zinc/55/67/21/525556721.db2.gz FPXQUBUXINTXGB-CABZTGNLSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000188005181 525559360 /nfs/dbraw/zinc/55/93/60/525559360.db2.gz JJFRWJTWAPPWJH-MAUKXSAKSA-N 0 0 316.445 3.821 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2nc(C(C)C)cs2)o1 ZINC000129997557 525707763 /nfs/dbraw/zinc/70/77/63/525707763.db2.gz CQMHOVDPKDKKEZ-LLVKDONJSA-N 0 0 307.419 3.728 10 0 DHAERN Cc1ccc(-c2c[nH]cc2C(=O)N2CCS[C@@H](C)C2)s1 ZINC000189139662 525712359 /nfs/dbraw/zinc/71/23/59/525712359.db2.gz VZQFRAZNHGAUSF-NSHDSACASA-N 0 0 306.456 3.629 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc(Cc3ccccc3C)no2)o1 ZINC000182579093 525736582 /nfs/dbraw/zinc/73/65/82/525736582.db2.gz REODVBMMWGUUEQ-CQSZACIVSA-N 0 0 311.385 3.721 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ncccc23)o1 ZINC000122242984 525800410 /nfs/dbraw/zinc/80/04/10/525800410.db2.gz PIAFOBXHKGRNLN-INIZCTEOSA-N 0 0 323.396 3.761 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnc3n[nH]c(C)c3c2)o1 ZINC000129152184 525801611 /nfs/dbraw/zinc/80/16/11/525801611.db2.gz CEBNZLQOOGOZPD-HNNXBMFYSA-N 0 0 324.384 3.535 10 0 DHAERN CS[C@H](C)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000162828751 525864235 /nfs/dbraw/zinc/86/42/35/525864235.db2.gz UQYIXBMCRMYFFD-UKRRQHHQSA-N 0 0 307.459 3.507 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N(C)CCOCc2ccccc2)o1 ZINC000157740936 525892388 /nfs/dbraw/zinc/89/23/88/525892388.db2.gz RHNQAUYKFOAEMJ-HNNXBMFYSA-N 0 0 316.401 3.507 10 0 DHAERN COc1cccc(CCCn2c3ccccc3nc2[C@@H](C)O)c1 ZINC000181498898 525893315 /nfs/dbraw/zinc/89/33/15/525893315.db2.gz XZRGIXTZXPJYOR-CQSZACIVSA-N 0 0 310.397 3.731 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccnn2[C@@H](C)C2CC2)o1 ZINC000156369356 525904367 /nfs/dbraw/zinc/90/43/67/525904367.db2.gz UTRZTNSJVAHMAH-RYUDHWBXSA-N 0 0 302.378 3.638 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)Nc2sc(C)c(C)c2C)o1 ZINC000182573849 525917299 /nfs/dbraw/zinc/91/72/99/525917299.db2.gz QKBYSBVCYGCRAN-LBPRGKRZSA-N 0 0 306.431 3.864 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CCc2c(C)noc2C)o1 ZINC000127441102 525991565 /nfs/dbraw/zinc/99/15/65/525991565.db2.gz DJFWFBKDPCUJON-MRXNPFEDSA-N 0 0 316.401 3.879 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cnc3n[nH]c(C)c3c2)o1 ZINC000129152352 525995310 /nfs/dbraw/zinc/99/53/10/525995310.db2.gz CEBNZLQOOGOZPD-OAHLLOKOSA-N 0 0 324.384 3.535 10 0 DHAERN Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1C ZINC000173458402 526102561 /nfs/dbraw/zinc/10/25/61/526102561.db2.gz XJIPQZZTRPHEOT-OAHLLOKOSA-N 0 0 313.401 3.787 10 0 DHAERN CSc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180589532 526117965 /nfs/dbraw/zinc/11/79/65/526117965.db2.gz JHDSYSLHJXVIJP-HNNXBMFYSA-N 0 0 316.430 3.891 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCc1ccncc1)[C@@H](C)C2 ZINC000181912256 526182586 /nfs/dbraw/zinc/18/25/86/526182586.db2.gz WKULNTTYEDLQKX-KXBFYZLASA-N 0 0 323.440 3.507 10 0 DHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000188654853 526250896 /nfs/dbraw/zinc/25/08/96/526250896.db2.gz LBQSPMPCOUPUHP-CMPLNLGQSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)c1 ZINC000105857646 526265810 /nfs/dbraw/zinc/26/58/10/526265810.db2.gz BLRDNQVESBODTK-SJLPKXTDSA-N 0 0 311.429 3.549 10 0 DHAERN Fc1ccccc1[C@H]1CN(Cc2ccc3ccccc3n2)CCO1 ZINC000124434133 526418326 /nfs/dbraw/zinc/41/83/26/526418326.db2.gz WCOYTCLVJATOAX-HXUWFJFHSA-N 0 0 322.383 3.947 10 0 DHAERN O=C(NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc[nH]c1 ZINC000156574803 526627440 /nfs/dbraw/zinc/62/74/40/526627440.db2.gz IDPFFIVYAJONOO-ZWNOBZJWSA-N 0 0 309.196 3.855 10 0 DHAERN O=C(c1ccc(Br)c(Cl)c1)N1C[C@H]2CC[C@@H]1C2 ZINC000127965441 526659792 /nfs/dbraw/zinc/65/97/92/526659792.db2.gz BXTAVJHOZVLKOG-WCBMZHEXSA-N 0 0 314.610 3.727 10 0 DHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180640303 527175075 /nfs/dbraw/zinc/17/50/75/527175075.db2.gz JJICBGRWQQBSEC-AWEZNQCLSA-N 0 0 322.771 3.961 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182149027 527190906 /nfs/dbraw/zinc/19/09/06/527190906.db2.gz QIMHFFPTWYZRTF-CVEARBPZSA-N 0 0 320.387 3.687 10 0 DHAERN O=C(Nc1ccc2c(c1)CCN2)c1sccc1Br ZINC000111533878 527276835 /nfs/dbraw/zinc/27/68/35/527276835.db2.gz PIAYVAYCDLTQCJ-UHFFFAOYSA-N 0 0 323.215 3.731 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000171507406 527315984 /nfs/dbraw/zinc/31/59/84/527315984.db2.gz PCKYXGIJXOENIQ-CQSZACIVSA-N 0 0 322.771 3.582 10 0 DHAERN O=C(Nc1ccn(CC(F)(F)F)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000154707555 527450751 /nfs/dbraw/zinc/45/07/51/527450751.db2.gz FYMVZLHULISPDR-NEPJUHHUSA-N 0 0 315.339 3.600 10 0 DHAERN O=C(Nc1ccnc(Cl)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000181870184 527454228 /nfs/dbraw/zinc/45/42/28/527454228.db2.gz BFBSNVIJQFDKDD-IUCAKERBSA-N 0 0 321.730 3.978 10 0 DHAERN Clc1ccccc1CNCc1sncc1Br ZINC000669379415 563869531 /nfs/dbraw/zinc/86/95/31/563869531.db2.gz AAJGRCOCAQZDNI-UHFFFAOYSA-N 0 0 317.639 3.849 10 0 DHAERN COc1cccc2c(=O)[nH]c(-c3ccc(C(F)(F)F)cc3)nc12 ZINC000013782469 560220457 /nfs/dbraw/zinc/22/04/57/560220457.db2.gz PFWLEODBNCMHGH-UHFFFAOYSA-N 0 0 320.270 3.618 10 0 in-vitro DHAERN O=C(Cc1ccccc1)N1CCCn2cc(-c3ccccc3)nc21 ZINC000065259494 563408346 /nfs/dbraw/zinc/40/83/46/563408346.db2.gz ZPXKIJMLBNZPMR-UHFFFAOYSA-N 0 0 317.392 3.530 10 0 DHAERN CCCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 ZINC000071790687 563501151 /nfs/dbraw/zinc/50/11/51/563501151.db2.gz DZNFOHLHKBCPLP-IRXDYDNUSA-N 0 0 319.445 3.724 10 0 DHAERN CCn1ccnc1CNCc1ccc2[nH]c3c(c2c1)CCCCC3 ZINC000012432305 563774463 /nfs/dbraw/zinc/77/44/63/563774463.db2.gz NKKXVHHBJYXALM-UHFFFAOYSA-N 0 0 322.456 3.943 10 0 DHAERN CC(C)(C)OC(=O)Nc1ncc(C=CBr)s1 ZINC000685964502 563775017 /nfs/dbraw/zinc/77/50/17/563775017.db2.gz KDIKRAODAAEWBF-SNAWJCMRSA-N 0 0 305.197 3.856 10 0 DHAERN CCNS(=O)(=O)c1occc1-c1cc(Cl)ccc1Cl ZINC000675052907 563855848 /nfs/dbraw/zinc/85/58/48/563855848.db2.gz CDZAXYQNUUQBQK-UHFFFAOYSA-N 0 0 320.197 3.552 10 0 DHAERN CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(F)c1 ZINC000226261120 563913237 /nfs/dbraw/zinc/91/32/37/563913237.db2.gz DUYSMURPQYCDSB-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C ZINC000226275769 563913603 /nfs/dbraw/zinc/91/36/03/563913603.db2.gz RLCXKSYGYIXPEU-NSHDSACASA-N 0 0 300.324 3.875 10 0 DHAERN COc1cc(CO)cc(CSC)c1OCc1ccccc1 ZINC000226288376 563913685 /nfs/dbraw/zinc/91/36/85/563913685.db2.gz XIVOXAMAASDEJW-UHFFFAOYSA-N 0 0 304.411 3.630 10 0 DHAERN O=C(Cc1ccccc1)[C@@H](c1ccccc1)C1C(=O)CCCC1=O ZINC000032106328 563923861 /nfs/dbraw/zinc/92/38/61/563923861.db2.gz BIGFHTOKIGXRBV-HXUWFJFHSA-N 0 0 320.388 3.520 10 0 DHAERN CCc1ccc(OCC(=O)N/N=C/C(C)=C\c2ccccc2)cc1 ZINC000048572525 563924021 /nfs/dbraw/zinc/92/40/21/563924021.db2.gz PKNWNNAENYXOAX-DWGFUGGISA-N 0 0 322.408 3.833 10 0 DHAERN C/C(=N\[S@](=O)C(C)(C)C)c1cc(Br)ccc1F ZINC000114111238 563924884 /nfs/dbraw/zinc/92/48/84/563924884.db2.gz WOADMISSFZLHGL-BXUGYJKXSA-N 0 0 320.227 3.859 10 0 DHAERN CCc1nc(C(Cl)(Cl)Cl)nc(F)c1Br ZINC000685958770 563961340 /nfs/dbraw/zinc/96/13/40/563961340.db2.gz GOOVKXDFNMUVCO-UHFFFAOYSA-N 0 0 322.392 3.767 10 0 DHAERN COc1c(O)ccc2c1CC[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000022062286 571740453 /nfs/dbraw/zinc/74/04/53/571740453.db2.gz BCWZIZLVBYHFES-KUPRSHKKSA-N 0 0 302.414 3.618 10 0 endogenous,in-man DHAERN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1ccsc1C(F)(F)F ZINC000704345133 954923715 /nfs/dbraw/zinc/92/37/15/954923715.db2.gz RJBKCKNPJOOBFJ-UHFFFAOYSA-N 0 0 309.353 3.700 10 0 DHAERN CC1(C)[C@H](Nc2ccc(OC(F)F)c(F)c2)[C@@H]2CCO[C@@H]21 ZINC000085635711 1014095392 /nfs/dbraw/zinc/09/53/92/1014095392.db2.gz UYNDSKVHXPFLCZ-BIMULSAOSA-N 0 0 301.308 3.653 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000091597133 1014293297 /nfs/dbraw/zinc/29/32/97/1014293297.db2.gz JRSZADWVWZBOGF-NILFDRSVSA-N 0 0 310.825 3.514 10 0 DHAERN CC(C)(C)[C@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1cccs1 ZINC000089890753 1032369811 /nfs/dbraw/zinc/36/98/11/1032369811.db2.gz DYUIXQANXDEGOZ-UKRRQHHQSA-N 0 0 322.474 3.656 10 0 DHAERN Cc1ccc([C@@H]2CN(Cc3cnc(C(C)(C)C)s3)CCO2)o1 ZINC000093864993 1032562479 /nfs/dbraw/zinc/56/24/79/1032562479.db2.gz LBTPMRIYZXMLGS-HNNXBMFYSA-N 0 0 320.458 3.916 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000072524746 1018862595 /nfs/dbraw/zinc/86/25/95/1018862595.db2.gz XRBUQGLPGAPCIM-BHUNQDJPSA-N 0 0 318.465 3.587 10 0 DHAERN CN1CC[C@@H](CNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000056045641 1025887101 /nfs/dbraw/zinc/88/71/01/1025887101.db2.gz RXSAUPTYAORIIE-ZDUSSCGKSA-N 0 0 314.816 3.694 10 0 DHAERN Cc1cccc(CCC(=O)N2CCC[C@H](c3nccs3)C2)c1 ZINC000067048181 1030519249 /nfs/dbraw/zinc/51/92/49/1030519249.db2.gz LFBPIWKBLMJFLO-INIZCTEOSA-N 0 0 314.454 3.790 10 0 DHAERN O=C(c1cccc2ncccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067047880 1030519788 /nfs/dbraw/zinc/51/97/88/1030519788.db2.gz GQVNONTWDTXHGF-ZDUSSCGKSA-N 0 0 323.421 3.711 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909243 1030628023 /nfs/dbraw/zinc/62/80/23/1030628023.db2.gz UYRPDNOPBZYFDH-CYBMUJFWSA-N 0 0 306.818 3.703 10 0 DHAERN CC(C)(C)c1c(I)cncc1OC1CC1 ZINC000095712886 185383281 /nfs/dbraw/zinc/38/32/81/185383281.db2.gz IELVJBPWCGCGSN-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Oc1ccc(OC2CCCCC2)cc1I ZINC000095724725 185383410 /nfs/dbraw/zinc/38/34/10/185383410.db2.gz XFEDHJKGXCLZPT-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CC(C)(C)c1ncc(I)cc1OC1CC1 ZINC000095721423 185383474 /nfs/dbraw/zinc/38/34/74/185383474.db2.gz LGZOAFFHRHCXII-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Oc1ccc(OC2CCCCC2)c(I)c1 ZINC000095721120 185383475 /nfs/dbraw/zinc/38/34/75/185383475.db2.gz KXXGWDQQNPJZRJ-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CSc1ccc(OC2CC2)c(I)c1 ZINC000095732914 185383625 /nfs/dbraw/zinc/38/36/25/185383625.db2.gz FYKHQRQAZXZITF-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000088559863 185257739 /nfs/dbraw/zinc/25/77/39/185257739.db2.gz GWIQYJOVOJVKTQ-HZMBPMFUSA-N 0 0 322.815 3.819 10 0 DHAERN Cc1csc(CN2C[C@@H](c3ccccc3)OCC2(C)C)n1 ZINC000088594639 185258792 /nfs/dbraw/zinc/25/87/92/185258792.db2.gz PVAJWEFLQUNLNI-HNNXBMFYSA-N 0 0 302.443 3.804 10 0 DHAERN CC(=O)c1ccc(-n2c(C)nc3cc(Cl)ccc3c2=O)cc1 ZINC000090493865 185299021 /nfs/dbraw/zinc/29/90/21/185299021.db2.gz NSZUHWUAKDJZMH-UHFFFAOYSA-N 0 0 312.756 3.550 10 0 DHAERN COc1ccc(-c2nc(Cl)nc3c2ncn3C(C)C)cc1 ZINC000090547485 185302136 /nfs/dbraw/zinc/30/21/36/185302136.db2.gz GRZHKSGWEIEFSH-UHFFFAOYSA-N 0 0 302.765 3.736 10 0 DHAERN CCCC(=CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1)CCC ZINC000092367480 185314269 /nfs/dbraw/zinc/31/42/69/185314269.db2.gz ZOURVYQIJGEVSZ-INIZCTEOSA-N 0 0 319.449 3.686 10 0 DHAERN COc1c(CN(Cc2ccc(C)s2)C(C)C)c(C)nn1C ZINC000092485295 185321686 /nfs/dbraw/zinc/32/16/86/185321686.db2.gz SRHBEZNXNJDLDO-UHFFFAOYSA-N 0 0 307.463 3.518 10 0 DHAERN c1csc([C@@H]2CN(Cc3cc4ccccc4s3)CCO2)n1 ZINC000092831402 185344717 /nfs/dbraw/zinc/34/47/17/185344717.db2.gz IUDIOEXFHQLUHU-AWEZNQCLSA-N 0 0 316.451 3.931 10 0 DHAERN CC(C)(C)C(=O)N1CCc2ccc(NC(=O)C3CCCC3)cc21 ZINC000013695283 190638537 /nfs/dbraw/zinc/63/85/37/190638537.db2.gz KRZUFLHOZJXCRZ-UHFFFAOYSA-N 0 0 314.429 3.751 10 0 DHAERN CCCNC(=S)N(Cc1cccnc1)C[C@@H]1CC=CCC1 ZINC000017031004 190642673 /nfs/dbraw/zinc/64/26/73/190642673.db2.gz BUBNAENHZIDTON-OAHLLOKOSA-N 0 0 303.475 3.524 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)C2(Cc3ccccc3F)CC2)o1 ZINC000190517138 334941891 /nfs/dbraw/zinc/94/18/91/334941891.db2.gz NMUBSBNKOIZFJC-CYBMUJFWSA-N 0 0 301.361 3.927 10 0 DHAERN C[C@H](O)c1cc(Br)ccc1OCc1cscn1 ZINC000052068352 190681775 /nfs/dbraw/zinc/68/17/75/190681775.db2.gz SZPUHHFFDSDXAN-QMMMGPOBSA-N 0 0 314.204 3.538 10 0 DHAERN C[C@@H]1CCC[C@H](C)N1C(=O)c1cc(N)c(Cl)cc1Cl ZINC000226304475 201773259 /nfs/dbraw/zinc/77/32/59/201773259.db2.gz GNAXADNKGOZIBR-DTORHVGOSA-N 0 0 301.217 3.979 10 0 DHAERN Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)o1 ZINC000226301097 201773555 /nfs/dbraw/zinc/77/35/55/201773555.db2.gz QNMNIOHZYUZPQF-CHWSQXEVSA-N 0 0 312.413 3.955 10 0 DHAERN Cc1nc(-c2ccncc2Cl)n(-c2cccc3cccnc32)n1 ZINC000063871619 190701173 /nfs/dbraw/zinc/70/11/73/190701173.db2.gz URFCYRWDLJOLMN-UHFFFAOYSA-N 0 0 321.771 3.839 10 0 DHAERN COc1cc2ccccc2cc1C(=O)Nc1ccc(C)cc1N ZINC000226347497 201776755 /nfs/dbraw/zinc/77/67/55/201776755.db2.gz JMRSGBFCCUANAI-UHFFFAOYSA-N 0 0 306.365 3.991 10 0 DHAERN CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 ZINC000081634623 334956815 /nfs/dbraw/zinc/95/68/15/334956815.db2.gz ABHYYFBRKPVMMG-XJKSGUPXSA-N 0 0 320.433 3.537 10 0 DHAERN CSc1nc(Cl)cc(-c2cccc(Br)n2)n1 ZINC000072204124 191076364 /nfs/dbraw/zinc/07/63/64/191076364.db2.gz USSRULCNAGCDGL-UHFFFAOYSA-N 0 0 316.611 3.676 10 0 DHAERN FC(F)(F)c1cccc(-c2ccc(Br)nn2)c1 ZINC000072204654 191077639 /nfs/dbraw/zinc/07/76/39/191077639.db2.gz ZSNITXBELZERKF-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN COCCCNc1nc(-c2cccnc2)nc2sc(C)cc21 ZINC000072260785 191088527 /nfs/dbraw/zinc/08/85/27/191088527.db2.gz MTPHGAYCJSKILQ-UHFFFAOYSA-N 0 0 314.414 3.510 10 0 DHAERN CN(C)c1nc2ccccc2c(NCc2ccccc2Cl)n1 ZINC000072260558 191088823 /nfs/dbraw/zinc/08/88/23/191088823.db2.gz TWCWPYRLEGKYFC-UHFFFAOYSA-N 0 0 312.804 3.961 10 0 DHAERN c1[nH]c(CCc2cnc3ccccc3n2)nc1-c1ccccc1 ZINC000072318705 191121205 /nfs/dbraw/zinc/12/12/05/191121205.db2.gz HMXBVTKCTWFFHC-UHFFFAOYSA-N 0 0 300.365 3.805 10 0 in-vitro DHAERN Cc1ccc(-c2ccnc3nc(NC4CCCC4)[nH]c(=O)c23)cc1 ZINC000072440370 191167336 /nfs/dbraw/zinc/16/73/36/191167336.db2.gz LKUFSYMKHLRQSJ-UHFFFAOYSA-N 0 0 320.396 3.648 10 0 DHAERN COc1ccccc1-c1ccnc(N2CCc3ccccc3C2)n1 ZINC000072443407 191167370 /nfs/dbraw/zinc/16/73/70/191167370.db2.gz AKBSFOOCJYOHFG-UHFFFAOYSA-N 0 0 317.392 3.715 10 0 DHAERN COc1ccc(OC)c(CCc2cc(OC)ccc2OC)c1 ZINC000001673675 180886662 /nfs/dbraw/zinc/88/66/62/180886662.db2.gz PJPONKMXDCEBRP-UHFFFAOYSA-N 0 0 302.370 3.506 10 0 DHAERN COC(=O)c1c2c(sc1NC(=O)CC(C)C)C[C@H](C)CC2 ZINC000001927305 180902794 /nfs/dbraw/zinc/90/27/94/180902794.db2.gz GXHYBVASGKZXKP-SNVBAGLBSA-N 0 0 309.431 3.644 10 0 DHAERN C[C@@]1(c2ccccc2)c2ccccc2N(CN2CCCCC2)C1=O ZINC000003604507 181039304 /nfs/dbraw/zinc/03/93/04/181039304.db2.gz SVIWCQZMJCTJMJ-OAQYLSRUSA-N 0 0 320.436 3.783 10 0 DHAERN CCCc1c(=O)[nH]c2ccc(OC)cc2c1OC1CCCC1 ZINC000003648770 181043468 /nfs/dbraw/zinc/04/34/68/181043468.db2.gz ZJWNDBMQTIOPRT-UHFFFAOYSA-N 0 0 301.386 3.811 10 0 DHAERN C[C@H](c1ccccc1C(F)(F)F)[NH+]1CCC(C(=O)[O-])CC1 ZINC000003760624 181045145 /nfs/dbraw/zinc/04/51/45/181045145.db2.gz UHFFQSPDCWHCGJ-SNVBAGLBSA-N 0 0 301.308 3.563 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@H](F)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004216256 181085573 /nfs/dbraw/zinc/08/55/73/181085573.db2.gz QBAHMYSNLVHPJQ-TVGHHNFTSA-N 0 0 308.437 3.907 10 0 DHAERN Cc1cc(N(C)Cc2ccccc2)c2cc(C(=O)[O-])ccc2[nH+]1 ZINC000004226426 181086351 /nfs/dbraw/zinc/08/63/51/181086351.db2.gz IWDOJTVLEBPEBW-UHFFFAOYSA-N 0 0 306.365 3.878 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)cc1Br ZINC000075376342 191467643 /nfs/dbraw/zinc/46/76/43/191467643.db2.gz WTDLXZQKNDRNMW-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055369 181198009 /nfs/dbraw/zinc/19/80/09/181198009.db2.gz WEOFSLSVXBIPSW-YTQUADARSA-N 0 0 310.441 3.967 10 0 DHAERN C[C@H]1CCCC[C@H]1NC(=O)[C@@H](Cc1ccccc1)n1cccc1 ZINC000005055371 181197948 /nfs/dbraw/zinc/19/79/48/181197948.db2.gz WEOFSLSVXBIPSW-QXAKKESOSA-N 0 0 310.441 3.967 10 0 DHAERN CCCNC(=O)[C@@H](Nc1ccc(OCC)cc1)c1ccccc1 ZINC000005139172 181209001 /nfs/dbraw/zinc/20/90/01/181209001.db2.gz CDDQUHNTEZGWLP-SFHVURJKSA-N 0 0 312.413 3.765 10 0 DHAERN Cc1cccc(NC(=O)Nc2cccc(N3CCCC3=O)c2)c1 ZINC000005440628 181243533 /nfs/dbraw/zinc/24/35/33/181243533.db2.gz GTHLRYDENHMNNY-UHFFFAOYSA-N 0 0 309.369 3.766 10 0 DHAERN COc1ccc(NC(=O)c2ccc(SC)cc2OC)cc1 ZINC000005559996 181257384 /nfs/dbraw/zinc/25/73/84/181257384.db2.gz LNAXDXBCUVKUHD-UHFFFAOYSA-N 0 0 303.383 3.678 10 0 DHAERN O=c1oc(Cc2ccccc2)nc2ccc(Br)cc12 ZINC000005603737 181262960 /nfs/dbraw/zinc/26/29/60/181262960.db2.gz FLWPZLNTPIPWFF-UHFFFAOYSA-N 0 0 316.154 3.541 10 0 DHAERN CCC1CCC(NC(=O)c2occc2Br)CC1 ZINC000081001192 192211781 /nfs/dbraw/zinc/21/17/81/192211781.db2.gz KFORTIKMGJFELJ-UHFFFAOYSA-N 0 0 300.196 3.741 10 0 DHAERN NC(=O)c1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000081271986 192243072 /nfs/dbraw/zinc/24/30/72/192243072.db2.gz AKMRPJWPCGMYDM-VXGBXAGGSA-N 0 0 320.820 3.594 10 0 DHAERN O=C(N[C@H](c1ccccc1)[C@H]1CCCCC1=O)c1ccccc1 ZINC000005775131 181282789 /nfs/dbraw/zinc/28/27/89/181282789.db2.gz QNLJSFZVIUCHQK-PKOBYXMFSA-N 0 0 307.393 3.917 10 0 DHAERN CCCCC(=O)C1c2cccc(O)c2C(=O)c2c(O)cccc21 ZINC000005819869 181286862 /nfs/dbraw/zinc/28/68/62/181286862.db2.gz UYKMGHUKSVDIFU-UHFFFAOYSA-N 0 0 310.349 3.533 10 0 DHAERN CS(=O)(=O)c1ccc(Cn2ccc3cc(Cl)ccc32)cc1 ZINC000090493795 192923897 /nfs/dbraw/zinc/92/38/97/192923897.db2.gz CQHKJTRGSBVZKQ-UHFFFAOYSA-N 0 0 319.813 3.747 10 0 DHAERN Cc1ccc2c(cc3c(=O)n(Cc4cc(C)ccc4C)ncn32)c1 ZINC000006803328 181390882 /nfs/dbraw/zinc/39/08/82/181390882.db2.gz KGIIXSKIRJUNHK-UHFFFAOYSA-N 0 0 317.392 3.623 10 0 DHAERN Clc1ccn2ncc(-c3ccc(Br)cc3)c2n1 ZINC000261507631 203073369 /nfs/dbraw/zinc/07/33/69/203073369.db2.gz KLQMZSJZWMBABQ-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN Clc1ccccc1-c1nc2cc(Br)ccn2n1 ZINC000258097888 203070941 /nfs/dbraw/zinc/07/09/41/203070941.db2.gz XCFYKIAREQCALO-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN Cc1nn(-c2ccccc2)cc1CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000093437978 193251146 /nfs/dbraw/zinc/25/11/46/193251146.db2.gz QSMHGAIYGPBRLW-LJQANCHMSA-N 0 0 321.428 3.631 10 0 DHAERN O=C(CCc1ccccc1Cl)NC(=S)Nc1ccccc1 ZINC000010012705 181653355 /nfs/dbraw/zinc/65/33/55/181653355.db2.gz JBLNPJQGVVOPDX-UHFFFAOYSA-N 0 0 318.829 3.786 10 0 DHAERN CCC(=O)N(C[C@@H]1CCCO1)c1nc2c(cccc2Cl)s1 ZINC000010870852 181680129 /nfs/dbraw/zinc/68/01/29/181680129.db2.gz NCUFBJFRHRSGCY-JTQLQIEISA-N 0 0 324.833 3.872 10 0 DHAERN CCC(=O)Oc1ccc(/C=C/c2ccnc(NC(C)=O)c2)cc1 ZINC000011858408 181711583 /nfs/dbraw/zinc/71/15/83/181711583.db2.gz BMEPJIXANWEEQT-SNAWJCMRSA-N 0 0 310.353 3.526 10 0 DHAERN CCc1ccsc1CNc1nc(Cl)c(C(=O)OC)s1 ZINC000094882804 335015161 /nfs/dbraw/zinc/01/51/61/335015161.db2.gz YKTRIDNVOBZKLN-UHFFFAOYSA-N 0 0 316.835 3.819 10 0 DHAERN Cc1c(Cl)cccc1NC(=S)Nc1ccccc1C(N)=O ZINC000013797857 181898866 /nfs/dbraw/zinc/89/88/66/181898866.db2.gz YGYMLMLECIDWKF-UHFFFAOYSA-N 0 0 319.817 3.556 10 0 DHAERN COc1cccc(/C=C/C(=O)Nc2cc(Cl)ccc2O)c1 ZINC000016891411 182062433 /nfs/dbraw/zinc/06/24/33/182062433.db2.gz PINHOWNKDCGMCR-VMPITWQZSA-N 0 0 303.745 3.706 10 0 DHAERN C[C@@H]1CN(C(=O)c2ccccc2Cc2ccccc2)C[C@@H](C)O1 ZINC000017325857 182083564 /nfs/dbraw/zinc/08/35/64/182083564.db2.gz TZJNZNCXMSIMRW-HZPDHXFCSA-N 0 0 309.409 3.527 10 0 DHAERN Cc1ccc(NC(=O)c2ccccc2N)c(Br)c1 ZINC000019265435 182111608 /nfs/dbraw/zinc/11/16/08/182111608.db2.gz YPXNKRVSFUXWNS-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN O=C1NCCCC[C@H]1Nc1cc(Cl)c(Cl)cc1Cl ZINC000019230819 182109688 /nfs/dbraw/zinc/10/96/88/182109688.db2.gz BPYKPUJIZBCWCJ-SNVBAGLBSA-N 0 0 307.608 3.727 10 0 DHAERN COC(=O)c1c(N)scc1-c1ccc(OC(F)(F)F)cc1 ZINC000019232496 182110302 /nfs/dbraw/zinc/11/03/02/182110302.db2.gz PAOLAKKGCDPART-UHFFFAOYSA-N 0 0 317.288 3.683 10 0 DHAERN C[C@@H]1CCCC[C@H]1OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019232576 182110313 /nfs/dbraw/zinc/11/03/13/182110313.db2.gz UCAHFSYDTVSSTR-IAQYHMDHSA-N 0 0 310.825 3.846 10 0 DHAERN NC(=S)c1ccccc1COc1ccccc1Br ZINC000019435543 182122865 /nfs/dbraw/zinc/12/28/65/182122865.db2.gz NQJQAWKWGQTBIA-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN CC1CCC(NC(=O)c2cc(Br)ccc2F)CC1 ZINC000019476093 182124487 /nfs/dbraw/zinc/12/44/87/182124487.db2.gz NSANGOIOUCKMFM-UHFFFAOYSA-N 0 0 314.198 3.897 10 0 DHAERN Cc1ccc(NC(=O)c2cc(Br)ccc2F)cc1N ZINC000019479307 182124973 /nfs/dbraw/zinc/12/49/73/182124973.db2.gz LPRCOUYJOUTFEP-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Nc1ccc(F)cc1OCc1ccc(Br)s1 ZINC000019479944 182125262 /nfs/dbraw/zinc/12/52/62/182125262.db2.gz PLHFHIFEVWAZCB-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN Cc1ccc(N)c(C)c1NC(=O)c1ccc(Br)cc1 ZINC000019482613 182125304 /nfs/dbraw/zinc/12/53/04/182125304.db2.gz SEELIYRLVRVUBR-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN O=C([O-])c1ccc2[nH+]c3c(c(N4CCCCCC4)c2c1)CCC3 ZINC000019794256 182149882 /nfs/dbraw/zinc/14/98/82/182149882.db2.gz PXYMFRAGVLNTLQ-UHFFFAOYSA-N 0 0 310.397 3.802 10 0 DHAERN COc1cc(CNc2cccc(Br)c2)ccc1O ZINC000019923323 182165219 /nfs/dbraw/zinc/16/52/19/182165219.db2.gz FYYZLHRZWAPVLD-UHFFFAOYSA-N 0 0 308.175 3.775 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1cccc(Br)c1 ZINC000019874925 182159316 /nfs/dbraw/zinc/15/93/16/182159316.db2.gz WQVYEAMDTBJVFX-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN Nc1ccc2c(c1)CCCN2Cc1cccc(Br)c1 ZINC000019875169 182159339 /nfs/dbraw/zinc/15/93/39/182159339.db2.gz UIOPCQLAPYTLBF-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1cc(Cl)ccc1Cl)CC2 ZINC000019990791 182174577 /nfs/dbraw/zinc/17/45/77/182174577.db2.gz VPXARYLECJJMFH-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN Cc1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000020020346 182178892 /nfs/dbraw/zinc/17/88/92/182178892.db2.gz FIDRQUSDKGOSIP-CQSZACIVSA-N 0 0 303.427 3.880 10 0 DHAERN Cc1ccc(Oc2ncccc2C(N)=S)c(Br)c1 ZINC000020077869 182185109 /nfs/dbraw/zinc/18/51/09/182185109.db2.gz LKSCAEDUSSFQJE-UHFFFAOYSA-N 0 0 323.215 3.579 10 0 DHAERN CN(Cc1cccc(F)c1)c1ccc(Br)cc1N ZINC000020266303 182201839 /nfs/dbraw/zinc/20/18/39/182201839.db2.gz RNEPAYFAXTXVCF-UHFFFAOYSA-N 0 0 309.182 3.807 10 0 DHAERN Cc1ccc(-c2csc3ncnc(NC[C@@H](C)O)c23)c(C)c1 ZINC000020323504 182207059 /nfs/dbraw/zinc/20/70/59/182207059.db2.gz OJDRQYYGWJHAER-GFCCVEGCSA-N 0 0 313.426 3.768 10 0 DHAERN Nc1cc(Cl)ccc1NC(=O)c1ccc(F)c(F)c1F ZINC000020345520 182210433 /nfs/dbraw/zinc/21/04/33/182210433.db2.gz OEINYCOWQDBGCB-UHFFFAOYSA-N 0 0 300.667 3.592 10 0 DHAERN COc1ccc(OC)c(-c2nnc(Cl)c3ccccc32)c1 ZINC000020381202 182213052 /nfs/dbraw/zinc/21/30/52/182213052.db2.gz FUPKVNIQIAETJL-UHFFFAOYSA-N 0 0 300.745 3.967 10 0 DHAERN CCS[C@H]1CC[C@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000230923224 335028060 /nfs/dbraw/zinc/02/80/60/335028060.db2.gz WZDFRECZMZTQDC-YUMQZZPRSA-N 0 0 320.867 3.669 10 0 DHAERN C[C@@H]1C[C@H]2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000029052096 182550826 /nfs/dbraw/zinc/55/08/26/182550826.db2.gz ABKKSPPWUYAREL-NZPOWLKHSA-N 0 0 306.490 3.997 10 0 DHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000152377662 335034848 /nfs/dbraw/zinc/03/48/48/335034848.db2.gz RWIFVIOPRQTPDP-JQHSSLGASA-N 0 0 318.461 3.607 10 0 DHAERN N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(F)cc1 ZINC000032190800 182637171 /nfs/dbraw/zinc/63/71/71/182637171.db2.gz AUFODJJUERTEJJ-KYZCRKBBSA-N 0 0 314.341 3.587 10 0 DHAERN COc1ccc(OC)c(NC(=O)/C(Cl)=C\c2ccccc2)c1 ZINC000033315965 182703390 /nfs/dbraw/zinc/70/33/90/182703390.db2.gz WVACAXFBSWKOGR-GXDHUFHOSA-N 0 0 317.772 3.922 10 0 DHAERN CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000033330413 182704972 /nfs/dbraw/zinc/70/49/72/182704972.db2.gz PZLWZYHHONMUDT-XGICHPGQSA-N 0 0 313.328 3.654 10 0 DHAERN CC[C@H](C)NC(=O)c1cc(-c2ccc(Cl)s2)n(CC)n1 ZINC000034901071 182741804 /nfs/dbraw/zinc/74/18/04/182741804.db2.gz CVOYROCNOPMFPJ-VIFPVBQESA-N 0 0 311.838 3.813 10 0 DHAERN COc1ccc(OCc2cccc(Br)c2)c(C=O)c1 ZINC000037022125 182861994 /nfs/dbraw/zinc/86/19/94/182861994.db2.gz GEOSFNRUKIEIFF-UHFFFAOYSA-N 0 0 321.170 3.849 10 0 DHAERN CN(C)c1ncccc1NCc1cc(Br)ccc1F ZINC000037028588 182862509 /nfs/dbraw/zinc/86/25/09/182862509.db2.gz QVYZACOOBRQERG-UHFFFAOYSA-N 0 0 324.197 3.661 10 0 DHAERN Cc1ccc([C@@H](C)Nc2ccccc2S(C)(=O)=O)c(C)c1 ZINC000037075921 182866106 /nfs/dbraw/zinc/86/61/06/182866106.db2.gz HJDWDUOQZGHXGT-CQSZACIVSA-N 0 0 303.427 3.880 10 0 DHAERN O=C(c1cccnc1Cl)N1CCc2sccc2[C@@H]1C1CC1 ZINC000037977980 182949747 /nfs/dbraw/zinc/94/97/47/182949747.db2.gz VWGPYOPMYDZQOM-AWEZNQCLSA-N 0 0 318.829 3.946 10 0 DHAERN C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cccnc2Cl)o1 ZINC000037979793 182950380 /nfs/dbraw/zinc/95/03/80/182950380.db2.gz YUPSACZDLODGKK-MFKMUULPSA-N 0 0 304.777 3.724 10 0 DHAERN CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cl)nc1 ZINC000037983853 182953753 /nfs/dbraw/zinc/95/37/53/182953753.db2.gz NDPKJBMOLAPWJA-UHFFFAOYSA-N 0 0 310.731 3.676 10 0 DHAERN CC(C)c1ccc(C(=O)Cn2cc(Br)cn2)cc1 ZINC000038054561 182983628 /nfs/dbraw/zinc/98/36/28/182983628.db2.gz PYDCWYWTXLJESV-UHFFFAOYSA-N 0 0 307.191 3.652 10 0 DHAERN CCOC(=O)[C@](C)(O)c1cccc2c(-c3ccccc3)coc21 ZINC000038614180 183004116 /nfs/dbraw/zinc/00/41/16/183004116.db2.gz IQLIOUSSZDMCHB-LJQANCHMSA-N 0 0 310.349 3.870 10 0 DHAERN Nc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000040177458 183044545 /nfs/dbraw/zinc/04/45/45/183044545.db2.gz RCTQQFYKCCUWHZ-UHFFFAOYSA-N 0 0 314.186 3.884 10 0 DHAERN COc1ccccc1C[C@@H](O)c1ccc(Br)cc1 ZINC000040243424 183049149 /nfs/dbraw/zinc/04/91/49/183049149.db2.gz QRTNJYQTTYDDST-CQSZACIVSA-N 0 0 307.187 3.734 10 0 DHAERN O[C@H](c1ccc(Br)s1)C(F)(F)C(F)(F)F ZINC000040265086 183049163 /nfs/dbraw/zinc/04/91/63/183049163.db2.gz ZKXNAVYCNICRAG-RXMQYKEDSA-N 0 0 311.069 3.742 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccccc1C ZINC000040295532 183052043 /nfs/dbraw/zinc/05/20/43/183052043.db2.gz MXSVXEKXZGIWHB-UHFFFAOYSA-N 0 0 307.397 3.909 10 0 DHAERN COc1ccc(NC(=O)Cn2c(C)nc3cc(C)c(C)cc32)cc1 ZINC000040295564 183052700 /nfs/dbraw/zinc/05/27/00/183052700.db2.gz ITHIRUQKEBFRCU-UHFFFAOYSA-N 0 0 323.396 3.609 10 0 DHAERN Cc1ccc(Cn2c3cc(C)c(C)cc3nc2CCCO)cc1 ZINC000040310958 183053420 /nfs/dbraw/zinc/05/34/20/183053420.db2.gz HTCARNHECZRJPP-UHFFFAOYSA-N 0 0 308.425 3.935 10 0 DHAERN CC(C)(C)NC(=O)Cn1c2ccccc2nc1-c1cccs1 ZINC000040307891 183053471 /nfs/dbraw/zinc/05/34/71/183053471.db2.gz BRJSKYNFNAERSA-UHFFFAOYSA-N 0 0 313.426 3.680 10 0 DHAERN CCc1nc2ccccc2n1CCc1ccc(OC)c(OC)c1 ZINC000040389930 183060082 /nfs/dbraw/zinc/06/00/82/183060082.db2.gz FVJPESHSQWSSJS-UHFFFAOYSA-N 0 0 310.397 3.859 10 0 DHAERN Cc1cccc(-n2ccc(NC(=O)/C=C/c3ccccc3)n2)c1 ZINC000040427980 183065358 /nfs/dbraw/zinc/06/53/58/183065358.db2.gz PLDFKZOFNVNHHJ-ZHACJKMWSA-N 0 0 303.365 3.833 10 0 DHAERN Cc1cc(Nc2ncnc(Sc3ccc(C)cc3)c2N)no1 ZINC000040681024 183117080 /nfs/dbraw/zinc/11/70/80/183117080.db2.gz NQVGZJCVCDYSGL-UHFFFAOYSA-N 0 0 313.386 3.558 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)n3)c2N)cc1 ZINC000040685563 183117925 /nfs/dbraw/zinc/11/79/25/183117925.db2.gz HILQPHAMECYUST-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040688559 183118079 /nfs/dbraw/zinc/11/80/79/183118079.db2.gz WMCZVXAXIQFWHL-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Nc3ncccc3C)c2N)c1 ZINC000040704484 183119859 /nfs/dbraw/zinc/11/98/59/183119859.db2.gz MMCHOUSJOYWEGP-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)nc1 ZINC000040703006 183120238 /nfs/dbraw/zinc/12/02/38/183120238.db2.gz FKXGOSIMUBNLRQ-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Nc1c(Nc2ccccc2F)ncnc1NC1CCCCC1 ZINC000040708523 183120879 /nfs/dbraw/zinc/12/08/79/183120879.db2.gz UDVLSXBYGWGVNZ-UHFFFAOYSA-N 0 0 301.369 3.686 10 0 DHAERN CC(C)Nc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040708147 183120902 /nfs/dbraw/zinc/12/09/02/183120902.db2.gz XEOYSOPKCQGCTQ-UHFFFAOYSA-N 0 0 312.204 3.930 10 0 DHAERN CCCNc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1N ZINC000040707896 183120996 /nfs/dbraw/zinc/12/09/96/183120996.db2.gz HCZWBMYFFTUDPC-UHFFFAOYSA-N 0 0 306.797 3.943 10 0 DHAERN O=c1c2ccccc2c(Cc2ccccc2)nn1-c1ccccc1 ZINC000040564567 183103221 /nfs/dbraw/zinc/10/32/21/183103221.db2.gz WCCMGLRJJDZZKH-UHFFFAOYSA-N 0 0 312.372 3.977 10 0 DHAERN CCNc1ncnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040707343 183121018 /nfs/dbraw/zinc/12/10/18/183121018.db2.gz RPSJZTQSGKSBLP-UHFFFAOYSA-N 0 0 320.400 3.656 10 0 DHAERN CC(=O)Nc1nnc2cc(-c3c(C)cccc3C)cc(C)c2n1 ZINC000040584425 183105159 /nfs/dbraw/zinc/10/51/59/183105159.db2.gz KVHBEIUIQQKMED-UHFFFAOYSA-N 0 0 306.369 3.575 10 0 DHAERN CC(C)Oc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040778702 183132571 /nfs/dbraw/zinc/13/25/71/183132571.db2.gz ZVCLAQFIXMCYMM-UHFFFAOYSA-N 0 0 313.188 3.896 10 0 DHAERN Nc1c(Sc2ccccc2)ncnc1-n1cnc2ccccc21 ZINC000040783262 183133569 /nfs/dbraw/zinc/13/35/69/183133569.db2.gz YGLLJTQGOUQTFQ-UHFFFAOYSA-N 0 0 319.393 3.549 10 0 DHAERN CC(=O)c1cccc(NC(=O)c2cc3c(cccc3F)n2C)c1 ZINC000040788300 183134001 /nfs/dbraw/zinc/13/40/01/183134001.db2.gz WBGOZHIYTQVRHG-UHFFFAOYSA-N 0 0 310.328 3.772 10 0 DHAERN COc1ccccc1Oc1ncnc(Oc2ccccc2)c1N ZINC000040796176 183135406 /nfs/dbraw/zinc/13/54/06/183135406.db2.gz MHKTVESJYZOSLJ-UHFFFAOYSA-N 0 0 309.325 3.652 10 0 DHAERN Nc1c(Nc2cccc3ncccc32)ncnc1NC1CCCC1 ZINC000040796995 183135502 /nfs/dbraw/zinc/13/55/02/183135502.db2.gz WWMZVGSOEQXKNZ-UHFFFAOYSA-N 0 0 320.400 3.705 10 0 DHAERN CC(C)CCNc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040752199 183128982 /nfs/dbraw/zinc/12/89/82/183128982.db2.gz VHHRRLIXKBVUML-UHFFFAOYSA-N 0 0 323.400 3.857 10 0 DHAERN CSc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 ZINC000040965030 183152149 /nfs/dbraw/zinc/15/21/49/183152149.db2.gz HXKOPEAPNQCSPX-UHFFFAOYSA-N 0 0 305.428 3.967 10 0 DHAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1ccccn1 ZINC000041057186 183159852 /nfs/dbraw/zinc/15/98/52/183159852.db2.gz RKBQDEGRDQDLHW-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN COC(=O)c1cccc(Nc2ccnc3ccc(OC)cc32)c1 ZINC000041055498 183160033 /nfs/dbraw/zinc/16/00/33/183160033.db2.gz XVXNBJARJSXIIH-UHFFFAOYSA-N 0 0 308.337 3.774 10 0 DHAERN Cc1cccc(NC(=O)c2cnc3c(F)cccc3c2O)c1C ZINC000041055684 183160360 /nfs/dbraw/zinc/16/03/60/183160360.db2.gz UABIENHRHMESRH-UHFFFAOYSA-N 0 0 310.328 3.536 10 0 DHAERN OC[C@H](Cc1ccccc1)Cc1ccc(Br)cc1 ZINC000041531967 183199045 /nfs/dbraw/zinc/19/90/45/183199045.db2.gz DZQMHTVDKIRTAU-OAHLLOKOSA-N 0 0 305.215 3.843 10 0 DHAERN OC[C@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000041542944 183201197 /nfs/dbraw/zinc/20/11/97/183201197.db2.gz RSYHAJXNKXQTGE-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN CNc1ccccc1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000042033428 183230269 /nfs/dbraw/zinc/23/02/69/183230269.db2.gz TUEDRBZWIPCXDA-UHFFFAOYSA-N 0 0 300.324 3.579 10 0 DHAERN CCCCCN(c1ncc(Br)cc1N)C(C)C ZINC000042556309 183284714 /nfs/dbraw/zinc/28/47/14/183284714.db2.gz HVUIZXVUICCBQE-UHFFFAOYSA-N 0 0 300.244 3.831 10 0 DHAERN CC(C)N(CC(F)(F)F)c1ccc(Br)cc1N ZINC000042741432 183303386 /nfs/dbraw/zinc/30/33/86/183303386.db2.gz VVEVVPNHHAIKFK-UHFFFAOYSA-N 0 0 311.145 3.808 10 0 DHAERN Nc1cnccc1SCc1cc(Br)cs1 ZINC000043687588 183381167 /nfs/dbraw/zinc/38/11/67/183381167.db2.gz DDUQUFJCCJQAQS-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000045683197 183523847 /nfs/dbraw/zinc/52/38/47/183523847.db2.gz PJLXJMXCQLMMOI-JQWIXIFHSA-N 0 0 316.854 3.501 10 0 DHAERN CC[C@@H](C(=O)N1CCC[C@H](n2cc(C)cn2)C1)c1ccccc1 ZINC000105858817 194148915 /nfs/dbraw/zinc/14/89/15/194148915.db2.gz ZZIWJMASNKUAHW-ZWKOTPCHSA-N 0 0 311.429 3.549 10 0 DHAERN COc1ccc(C[C@@]2(O)CCCC[C@@H]2C)cc1Br ZINC000049597578 183746346 /nfs/dbraw/zinc/74/63/46/183746346.db2.gz TTXAEXYLMOPTEI-NHYWBVRUSA-N 0 0 313.235 3.941 10 0 DHAERN CCNc1cccc(C(=O)Nc2cccc(Br)c2)n1 ZINC000051069665 183812346 /nfs/dbraw/zinc/81/23/46/183812346.db2.gz ARLFOKNLFLELHP-UHFFFAOYSA-N 0 0 320.190 3.528 10 0 DHAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)N1CCCCC1 ZINC000057673463 184045884 /nfs/dbraw/zinc/04/58/84/184045884.db2.gz MULPFRNYRMVXFE-SNVBAGLBSA-N 0 0 301.217 3.806 10 0 DHAERN Fc1ccc(CNc2nc(Cl)c3c(n2)CCCC3)c(F)c1 ZINC000057343509 184034288 /nfs/dbraw/zinc/03/42/88/184034288.db2.gz CRYUYEVHFCVFKQ-UHFFFAOYSA-N 0 0 309.747 3.899 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3c(F)cccc3F)n2)cc1 ZINC000057342069 184034322 /nfs/dbraw/zinc/03/43/22/184034322.db2.gz LBXRAMIZLMXDIK-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN COCc1cc(Cl)nc(Nc2ccc(F)c(Cl)c2)n1 ZINC000057343565 184034325 /nfs/dbraw/zinc/03/43/25/184034325.db2.gz NDPKEUFEZSETOB-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN O=C(Nc1ccccc1)N1CCCN(Cc2ccc(F)cc2)C1 ZINC000058096485 184074304 /nfs/dbraw/zinc/07/43/04/184074304.db2.gz SAKJUJYFSHXZSK-UHFFFAOYSA-N 0 0 313.376 3.523 10 0 DHAERN COC(=O)c1nn(-c2ccccc2)c(C(C)C)c1Br ZINC000059326418 184137102 /nfs/dbraw/zinc/13/71/02/184137102.db2.gz QKFNCXHNPVGAOV-UHFFFAOYSA-N 0 0 323.190 3.545 10 0 DHAERN CN(CC1CCC1)c1c(N)cnc2ccc(Br)cc21 ZINC000061455886 184171361 /nfs/dbraw/zinc/17/13/61/184171361.db2.gz KTDSYJJSWHRTID-UHFFFAOYSA-N 0 0 320.234 3.816 10 0 DHAERN O=C(c1cccc2ccccc21)N1CCC(Cn2cccn2)CC1 ZINC000062130659 184207628 /nfs/dbraw/zinc/20/76/28/184207628.db2.gz AYRZBNVFGWOJKD-UHFFFAOYSA-N 0 0 319.408 3.589 10 0 DHAERN CCc1ccc(NC(=O)c2ccncc2)c(Br)c1 ZINC000065000470 184307829 /nfs/dbraw/zinc/30/78/29/184307829.db2.gz CSXYKAKUTWZIOQ-UHFFFAOYSA-N 0 0 305.175 3.659 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N2CC3(CCCC3)c3c2cccc3F)O1 ZINC000151330382 196666464 /nfs/dbraw/zinc/66/64/64/196666464.db2.gz JENSRZFBFUYTLN-SWLSCSKDSA-N 0 0 303.377 3.552 10 0 DHAERN Cc1nc([C@@H]2C[C@H]3CCN(Cc4ccoc4)C[C@@H]3O2)sc1C ZINC000248027158 257111775 /nfs/dbraw/zinc/11/17/75/257111775.db2.gz KRWNDGNDVJNABQ-PMPSAXMXSA-N 0 0 318.442 3.705 10 0 DHAERN c1coc(CN2C[C@@H]3O[C@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720303 257207542 /nfs/dbraw/zinc/20/75/42/257207542.db2.gz RIBNMBOEQPLDBB-RCBQFDQVSA-N 0 0 316.426 3.576 10 0 DHAERN O=C(OCc1ccccc1)N1CCCC[C@H]1COC(F)(F)F ZINC000091252516 257260895 /nfs/dbraw/zinc/26/08/95/257260895.db2.gz SOAOMTDOARIVIF-ZDUSSCGKSA-N 0 0 317.307 3.714 10 0 DHAERN CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000074000629 184949730 /nfs/dbraw/zinc/94/97/30/184949730.db2.gz FPSCPHLWKFXQGJ-HOTGVXAUSA-N 0 0 304.434 3.514 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2c2ccc(OC(F)F)cn2)no1 ZINC000277248545 130594028 /nfs/dbraw/zinc/59/40/28/130594028.db2.gz PPYQHRCAEWOPOF-NSHDSACASA-N 0 0 324.331 3.531 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N[C@H]1CCOC2(CCCC2)C1 ZINC000194276866 335065035 /nfs/dbraw/zinc/06/50/35/335065035.db2.gz IALLLCRUMMSKLZ-HNNXBMFYSA-N 0 0 313.401 3.781 10 0 DHAERN O=C(Nc1nccs1)C1CCN(c2cccc(Cl)c2)CC1 ZINC000010343247 134496430 /nfs/dbraw/zinc/49/64/30/134496430.db2.gz OSGAFCQDQQPWNC-UHFFFAOYSA-N 0 0 321.833 3.652 10 0 DHAERN Cc1cnc([C@H](C)NCc2cc(Br)ccc2C)o1 ZINC000313685587 332817145 /nfs/dbraw/zinc/81/71/45/332817145.db2.gz AHLPNSIVNCCTTH-NSHDSACASA-N 0 0 309.207 3.905 10 0 DHAERN C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCS1 ZINC000171576771 332852141 /nfs/dbraw/zinc/85/21/41/332852141.db2.gz HHKPDYVOYWEHPO-NSHDSACASA-N 0 0 305.374 3.663 10 0 DHAERN CC(C)C1(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000175574513 332896959 /nfs/dbraw/zinc/89/69/59/332896959.db2.gz MOFFCZCHHXKLMV-NEPJUHHUSA-N 0 0 306.372 3.843 10 0 DHAERN Cc1cc(F)c(Br)cc1NC(=O)C1CC(C)C1 ZINC000530501961 331500128 /nfs/dbraw/zinc/50/01/28/331500128.db2.gz JWSSONFIBGMTBB-UHFFFAOYSA-N 0 0 300.171 3.881 10 0 DHAERN C[C@@H](NC(=O)Nc1cccc(F)c1)c1cccc(-n2ccnc2)c1 ZINC000174217751 331518662 /nfs/dbraw/zinc/51/86/62/331518662.db2.gz VUFUKULRDXGVIJ-CYBMUJFWSA-N 0 0 324.359 3.894 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(=O)Nc3ccccc32)CC(C)(C)C1 ZINC000180576580 331573429 /nfs/dbraw/zinc/57/34/29/331573429.db2.gz ATJGFOOVSJMGIP-ZIAGYGMSSA-N 0 0 314.429 3.824 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)C1(C)CCCCCC1)C2 ZINC000180776306 331576853 /nfs/dbraw/zinc/57/68/53/331576853.db2.gz PKZLFEOVQGAYOV-UHFFFAOYSA-N 0 0 317.477 3.789 10 0 DHAERN COc1ccc(-c2noc(CCOc3ccc(F)cc3)n2)cc1 ZINC000109531034 331581803 /nfs/dbraw/zinc/58/18/03/331581803.db2.gz AXWNSPVFDNHQGY-UHFFFAOYSA-N 0 0 314.316 3.506 10 0 DHAERN CC(C)[C@H](C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000162352577 332935335 /nfs/dbraw/zinc/93/53/35/332935335.db2.gz KHLSMSMPOWNLKM-JTQLQIEISA-N 0 0 323.234 3.634 10 0 DHAERN O=C(Nc1ccccc1N1CCCC1)c1cccc2c1CCCN2 ZINC000130135577 332023115 /nfs/dbraw/zinc/02/31/15/332023115.db2.gz INJGEAYCMNUVEY-UHFFFAOYSA-N 0 0 321.424 3.897 10 0 DHAERN Cc1ncc(CN(C)C(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000087292974 332029781 /nfs/dbraw/zinc/02/97/81/332029781.db2.gz YSWLKBCNHMGBPE-NSHDSACASA-N 0 0 321.421 3.802 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)CC1CCCCCC1)C2 ZINC000176476217 332943319 /nfs/dbraw/zinc/94/33/19/332943319.db2.gz VPIMVZRMUWLJSY-UHFFFAOYSA-N 0 0 317.477 3.789 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)CCCCSC)C12CCCC2 ZINC000150795458 332195815 /nfs/dbraw/zinc/19/58/15/332195815.db2.gz QVTVUAZMMADIIR-GJZGRUSLSA-N 0 0 313.507 3.716 10 0 DHAERN O=C(Nc1cc(Cl)ccc1F)N1CCC(c2cc[nH]n2)CC1 ZINC000151595229 332206854 /nfs/dbraw/zinc/20/68/54/332206854.db2.gz IMACWGWUSNIAAZ-UHFFFAOYSA-N 0 0 322.771 3.614 10 0 DHAERN C[C@H]([NH2+]Cc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)cc1 ZINC000042259574 332240358 /nfs/dbraw/zinc/24/03/58/332240358.db2.gz GDGPQGKNFLGSJV-VIFPVBQESA-N 0 0 319.817 3.901 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)[C@H](C)c2ccccc2)cc1OC ZINC000120024465 332381301 /nfs/dbraw/zinc/38/13/01/332381301.db2.gz HSXQFQNHLLBFFN-ZIAGYGMSSA-N 0 0 313.397 3.685 10 0 DHAERN COc1cc(CN(C)C(=O)[C@@H]2C[C@H]2C2CCCCC2)ccc1O ZINC000120148330 332383910 /nfs/dbraw/zinc/38/39/10/332383910.db2.gz KHRRFOZNWDRNAD-JKSUJKDBSA-N 0 0 317.429 3.576 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)c1c(Cl)cccc1Cl ZINC000191930630 332433910 /nfs/dbraw/zinc/43/39/10/332433910.db2.gz GOWOSPRRHIVEGS-NXEZZACHSA-N 0 0 302.201 3.771 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2nc(C)sc2C)o1 ZINC000158671223 332583031 /nfs/dbraw/zinc/58/30/31/332583031.db2.gz XFMLQMCKCNZSEQ-HNNXBMFYSA-N 0 0 318.442 3.958 10 0 DHAERN C[C@H](NC(=O)NC[C@H]1CCOc2ccccc21)c1cccs1 ZINC000171759017 333054106 /nfs/dbraw/zinc/05/41/06/333054106.db2.gz SYUILPRACHUQMM-QWHCGFSZSA-N 0 0 316.426 3.675 10 0 DHAERN Cc1ccccc1NC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 ZINC000171983675 333057029 /nfs/dbraw/zinc/05/70/29/333057029.db2.gz XDQCATXSFZVRHR-VQIMIIECSA-N 0 0 322.408 3.543 10 0 DHAERN Fc1ccc(Cl)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000188961988 333059469 /nfs/dbraw/zinc/05/94/69/333059469.db2.gz PLPQZFAHIMTKFA-UHFFFAOYSA-N 0 0 307.800 3.588 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)o1 ZINC000087104805 333140190 /nfs/dbraw/zinc/14/01/90/333140190.db2.gz MSLDMFLQVBBAHM-LLVKDONJSA-N 0 0 313.332 3.608 10 0 DHAERN Cc1nc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c(C)s1 ZINC000179052364 333145659 /nfs/dbraw/zinc/14/56/59/333145659.db2.gz KNGGVTGRCSWFMK-UWVGGRQHSA-N 0 0 306.353 3.611 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000110051919 333326209 /nfs/dbraw/zinc/32/62/09/333326209.db2.gz AJSQBNCIYAKSFK-HTQZYQBOSA-N 0 0 311.838 3.722 10 0 DHAERN Cc1nc2scc(CC(C)C)c2c(N(C)C[C@H]2CCCO2)n1 ZINC000110492452 333327281 /nfs/dbraw/zinc/32/72/81/333327281.db2.gz WJKBEFPKSLQOFQ-CQSZACIVSA-N 0 0 319.474 3.813 10 0 DHAERN Nc1ccc(-c2nc(COc3ccccc3)no2)c(Cl)c1 ZINC000054436261 333339242 /nfs/dbraw/zinc/33/92/42/333339242.db2.gz IPCLGUQGXYXWOD-UHFFFAOYSA-N 0 0 301.733 3.551 10 0 DHAERN CCN1CCC[C@@H]([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000040502970 333353567 /nfs/dbraw/zinc/35/35/67/333353567.db2.gz OZQRVXCWUNBFAF-GXTWGEPZSA-N 0 0 309.523 3.884 10 0 DHAERN C[C@H](NC(=O)c1cn2ccnc2s1)c1ccc(F)cc1Cl ZINC000188431306 333366356 /nfs/dbraw/zinc/36/63/56/333366356.db2.gz WHAZYABQQSTATP-QMMMGPOBSA-N 0 0 323.780 3.679 10 0 DHAERN Cc1cc(CCNC(=O)N[C@H](C)c2cccs2)cc(C)c1O ZINC000188481480 333368345 /nfs/dbraw/zinc/36/83/45/333368345.db2.gz RECNXJQQMGNPOE-CYBMUJFWSA-N 0 0 318.442 3.673 10 0 DHAERN C[C@@H](O)C1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000187149702 333422048 /nfs/dbraw/zinc/42/20/48/333422048.db2.gz RYRCEINXFZRTKB-SNVBAGLBSA-N 0 0 321.770 3.952 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CCS1 ZINC000093155838 334073552 /nfs/dbraw/zinc/07/35/52/334073552.db2.gz AZCALRPDSYYJKA-VHSXEESVSA-N 0 0 318.895 4.000 10 0 DHAERN COC(C)(C)C(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000170966534 334100929 /nfs/dbraw/zinc/10/09/29/334100929.db2.gz CMNYIVMNTAQSJJ-CQSZACIVSA-N 0 0 307.434 3.714 10 0 DHAERN CC[C@@]1(C)CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 ZINC000187780571 334273218 /nfs/dbraw/zinc/27/32/18/334273218.db2.gz HIDFINXTAQSFQQ-YGRLFVJLSA-N 0 0 316.854 3.673 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000049787197 334359310 /nfs/dbraw/zinc/35/93/10/334359310.db2.gz HQUPFPJOQUHPLF-RDTXWAMCSA-N 0 0 312.413 3.721 10 0 DHAERN Cc1cscc1NC(=O)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000124084540 334743539 /nfs/dbraw/zinc/74/35/39/334743539.db2.gz RVAPKZAQDJQNMD-DZGCQCFKSA-N 0 0 302.399 3.708 10 0 DHAERN CCOc1ccc(C2=CCN(C(=O)N[C@@H](C)C(C)C)CC2)cc1 ZINC000093286230 334844693 /nfs/dbraw/zinc/84/46/93/334844693.db2.gz TVXFKYXKXRJZCH-HNNXBMFYSA-N 0 0 316.445 3.929 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)nc2ccccc12 ZINC000329254397 335956400 /nfs/dbraw/zinc/95/64/00/335956400.db2.gz WVQUQBOJAHRVAX-YJBOKZPZSA-N 0 0 322.408 3.517 10 0 DHAERN Cc1ccc2nc(C)c(C(=O)N3CCC[C@H]3c3ncc[nH]3)cc2c1 ZINC000329384490 335970370 /nfs/dbraw/zinc/97/03/70/335970370.db2.gz RPRHTWDQNVATPK-KRWDZBQOSA-N 0 0 320.396 3.552 10 0 DHAERN Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2C)c(F)c1 ZINC000192004220 336011633 /nfs/dbraw/zinc/01/16/33/336011633.db2.gz QTRFWSYRRGXZQW-CQSZACIVSA-N 0 0 321.417 3.623 10 0 DHAERN Cc1cncc(N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)n1 ZINC000329629488 336016434 /nfs/dbraw/zinc/01/64/34/336016434.db2.gz VBUKRCZJXKLMQV-AWEZNQCLSA-N 0 0 313.792 3.656 10 0 DHAERN C[C@H](NC(=O)c1ncc(F)cc1F)c1ccc(F)cc1Cl ZINC000192330713 336031344 /nfs/dbraw/zinc/03/13/44/336031344.db2.gz VHHKGIISFLLTFI-ZETCQYMHSA-N 0 0 314.694 3.643 10 0 DHAERN C[C@H](CC1CCCCC1)c1nc([C@@H]2CN3CCC[C@H]3CO2)no1 ZINC000329703524 336060643 /nfs/dbraw/zinc/06/06/43/336060643.db2.gz IIXOJJDSZHWLGB-KBMXLJTQSA-N 0 0 319.449 3.679 10 0 DHAERN O=C(C[C@H]1C=CCCC1)Nc1ccc(NC2CCOCC2)cc1 ZINC000330229223 336126919 /nfs/dbraw/zinc/12/69/19/336126919.db2.gz VSVRQKXYXXWREI-HNNXBMFYSA-N 0 0 314.429 3.962 10 0 DHAERN C[C@H](NC(=O)CC(F)(F)F)c1cccc(Br)c1 ZINC000042239940 336237786 /nfs/dbraw/zinc/23/77/86/336237786.db2.gz MNDZFKZMUKTMKY-ZETCQYMHSA-N 0 0 310.113 3.579 10 0 DHAERN COC[C@@H](C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000103392886 336241433 /nfs/dbraw/zinc/24/14/33/336241433.db2.gz KWIIGINLOMUMFQ-CYBMUJFWSA-N 0 0 317.816 3.906 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(Oc2ccccc2)cc1 ZINC000103391255 336241489 /nfs/dbraw/zinc/24/14/89/336241489.db2.gz WTCQIDVXJDQBSP-CABCVRRESA-N 0 0 313.397 3.939 10 0 DHAERN C[C@@H](NC(=O)N[C@H](C)C1CC1)c1ccccc1Br ZINC000043632503 336269525 /nfs/dbraw/zinc/26/95/25/336269525.db2.gz JCRSFJMOFKDBSK-NXEZZACHSA-N 0 0 311.223 3.608 10 0 DHAERN Brc1csc(CN2CCNc3ccccc32)c1 ZINC000043687664 336269993 /nfs/dbraw/zinc/26/99/93/336269993.db2.gz MANDGHQHJFVFCG-UHFFFAOYSA-N 0 0 309.232 3.943 10 0 DHAERN Cc1ccsc1[C@@H]([NH2+][C@@H](C)CO)c1ccc(Cl)cc1F ZINC000182686404 336280984 /nfs/dbraw/zinc/28/09/84/336280984.db2.gz RTMUHJQPXLIERS-HZMBPMFUSA-N 0 0 313.825 3.909 10 0 DHAERN C[C@@H](Sc1nn2c(nccc2=O)s1)c1ccc(Cl)cc1 ZINC000301124554 336291075 /nfs/dbraw/zinc/29/10/75/336291075.db2.gz XSYBTRLKFSMZBB-MRVPVSSYSA-N 0 0 323.830 3.658 10 0 DHAERN C[C@H](Sc1nn2c(nccc2=O)s1)c1ccc(Cl)cc1 ZINC000301124555 336291128 /nfs/dbraw/zinc/29/11/28/336291128.db2.gz XSYBTRLKFSMZBB-QMMMGPOBSA-N 0 0 323.830 3.658 10 0 DHAERN c1ccc(Nc2ccc(Nc3ccc4nccnc4n3)cn2)cc1 ZINC000301248600 336296716 /nfs/dbraw/zinc/29/67/16/336296716.db2.gz RBEUKDLQUUSERE-UHFFFAOYSA-N 0 0 314.352 3.907 10 0 DHAERN c1ccc(OC[C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)cc1 ZINC000301252421 336296918 /nfs/dbraw/zinc/29/69/18/336296918.db2.gz ALQFVQQYMGMFSO-OAHLLOKOSA-N 0 0 309.413 3.649 10 0 DHAERN Cc1ccc(CNc2cc(N3CCC[C@H](C)C3)ncn2)s1 ZINC000301266536 336297664 /nfs/dbraw/zinc/29/76/64/336297664.db2.gz UFRVXTFMMFVXRY-LBPRGKRZSA-N 0 0 302.447 3.695 10 0 DHAERN C[C@@H]1C[C@@H]1[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 ZINC000301307800 336300056 /nfs/dbraw/zinc/30/00/56/336300056.db2.gz WAOXPZMMLQFJCO-DGFSRKRXSA-N 0 0 315.804 3.643 10 0 DHAERN C[C@]1(CO)CCC[C@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000301350666 336301934 /nfs/dbraw/zinc/30/19/34/336301934.db2.gz JYHQPMISVYDPDB-CZUORRHYSA-N 0 0 308.784 3.990 10 0 DHAERN CCC(CC)[C@H]1CCN(c2ccc(-n3nc(C)cc3C)nn2)C1 ZINC000301358155 336302420 /nfs/dbraw/zinc/30/24/20/336302420.db2.gz LISAOPLHHBUQJQ-INIZCTEOSA-N 0 0 313.449 3.542 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)c2ncnc3sccc32)C12CCCC2 ZINC000301362124 336302512 /nfs/dbraw/zinc/30/25/12/336302512.db2.gz PBDVRQHIIFJLEJ-ZIAGYGMSSA-N 0 0 317.458 3.865 10 0 DHAERN Cc1ccc([C@@H]2C[C@@H](C)CCN2c2ccc3nccnc3n2)o1 ZINC000301443623 336307111 /nfs/dbraw/zinc/30/71/11/336307111.db2.gz NGPDYWUBDWNWRZ-WFASDCNBSA-N 0 0 308.385 3.904 10 0 DHAERN CSC(C)(C)CNc1nccc(Oc2ccc(F)cc2)n1 ZINC000301454593 336307907 /nfs/dbraw/zinc/30/79/07/336307907.db2.gz RNOKZRJGJJGNBM-UHFFFAOYSA-N 0 0 307.394 3.962 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)Nc1ccc2nnc(C3CC3)n2n1 ZINC000301465011 336308502 /nfs/dbraw/zinc/30/85/02/336308502.db2.gz LEKUOBLUDMXJFT-MRXNPFEDSA-N 0 0 321.428 3.743 10 0 DHAERN C[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)[C@H]1C ZINC000301494690 336310298 /nfs/dbraw/zinc/31/02/98/336310298.db2.gz RZZXCWGQNRGZSG-MNOVXSKESA-N 0 0 322.334 3.792 10 0 DHAERN Cc1nc(-c2ccc(N3CC[C@H]4CCCC[C@H]43)nc2)[nH]c(=O)c1C ZINC000301537023 336313260 /nfs/dbraw/zinc/31/32/60/336313260.db2.gz ATPWVWXWJBBKPR-GDBMZVCRSA-N 0 0 324.428 3.630 10 0 DHAERN CN(c1ccc2nccnc2n1)[C@@H](c1ccc(F)cc1)C1CC1 ZINC000301572388 336315725 /nfs/dbraw/zinc/31/57/25/336315725.db2.gz MNVDOOJYOCQJJU-QGZVFWFLSA-N 0 0 308.360 3.751 10 0 DHAERN Cc1n[nH]c(C)c1CNc1nc(-c2ccc(F)cc2)cs1 ZINC000301602485 336317659 /nfs/dbraw/zinc/31/76/59/336317659.db2.gz KEWJMVJFNVKASP-UHFFFAOYSA-N 0 0 302.378 3.901 10 0 DHAERN COCC[C@@H](Nc1nc(C)cc(C)n1)c1ccc(Cl)cc1 ZINC000301618330 336318610 /nfs/dbraw/zinc/31/86/10/336318610.db2.gz CWQFUPFISLIUQE-OAHLLOKOSA-N 0 0 305.809 3.937 10 0 DHAERN CC1(C)C[C@@H](Nc2ccc3nccnc3n2)c2ccccc2O1 ZINC000301627586 336319272 /nfs/dbraw/zinc/31/92/72/336319272.db2.gz BIQLCBKAUZDURJ-CQSZACIVSA-N 0 0 306.369 3.739 10 0 DHAERN CSc1ccc(N[C@@H]2CC(C)(C)Oc3ccccc32)nn1 ZINC000301666461 336321977 /nfs/dbraw/zinc/32/19/77/336321977.db2.gz OOJFZNVBRDBJEG-GFCCVEGCSA-N 0 0 301.415 3.913 10 0 DHAERN COc1cccc2c(NC[C@H](O)C3CCCC3)cc(C)nc12 ZINC000301687589 336323534 /nfs/dbraw/zinc/32/35/34/336323534.db2.gz VCUWTJJMJPBXHO-INIZCTEOSA-N 0 0 300.402 3.515 10 0 DHAERN COCc1cc(NC[C@H]2Cc3ccccc32)nc(C(C)(C)C)n1 ZINC000301765063 336328412 /nfs/dbraw/zinc/32/84/12/336328412.db2.gz AZMULQKLGZPZJF-CQSZACIVSA-N 0 0 311.429 3.672 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000301800941 336331104 /nfs/dbraw/zinc/33/11/04/336331104.db2.gz WGPLGBJMDYGSFP-CHWSQXEVSA-N 0 0 307.781 3.760 10 0 DHAERN OCCN(Cc1ccsc1)c1ccnc2cc(Cl)ccc21 ZINC000301830331 336332910 /nfs/dbraw/zinc/33/29/10/336332910.db2.gz HLGQGZKBVFULCA-UHFFFAOYSA-N 0 0 318.829 3.949 10 0 DHAERN CCc1nc2sccc2c(N(C)Cc2cc(Cl)cn2C)n1 ZINC000301857271 336334488 /nfs/dbraw/zinc/33/44/88/336334488.db2.gz ZPRRJBAHMOELMS-UHFFFAOYSA-N 0 0 320.849 3.882 10 0 DHAERN COc1cc(OC)cc([C@@H]2CCN(c3nc4ccccc4[nH]3)C2)c1 ZINC000301890990 336336529 /nfs/dbraw/zinc/33/65/29/336336529.db2.gz RDTJVHYEMOGJFR-CYBMUJFWSA-N 0 0 323.396 3.574 10 0 DHAERN COc1ccccc1N1CCC[C@H](Nc2nc3ccccc3[nH]2)C1 ZINC000301896880 336336819 /nfs/dbraw/zinc/33/68/19/336336819.db2.gz VEMSXIGDRXOCHK-AWEZNQCLSA-N 0 0 322.412 3.652 10 0 DHAERN CC(C)Cn1ccnc(N(C)Cc2ccc(C(C)C)cc2)c1=O ZINC000301912238 336337657 /nfs/dbraw/zinc/33/76/57/336337657.db2.gz DAHDFWGEUQVAKH-UHFFFAOYSA-N 0 0 313.445 3.659 10 0 DHAERN COC(=O)c1ccc(N[C@H]2CCC[C@@H](C(F)(F)F)C2)nc1C ZINC000301937467 336338943 /nfs/dbraw/zinc/33/89/43/336338943.db2.gz RWNBKZLHEGOPEN-MNOVXSKESA-N 0 0 316.323 3.710 10 0 DHAERN C[C@H]1CN(C)c2ccccc2CN1c1ncnc2ccc(F)cc21 ZINC000301957272 336339895 /nfs/dbraw/zinc/33/98/95/336339895.db2.gz NGZARMOAVBTLSK-ZDUSSCGKSA-N 0 0 322.387 3.614 10 0 DHAERN CCc1ncnc(N[C@H]2CC(C)(C)Oc3ccccc32)c1F ZINC000301968476 336340421 /nfs/dbraw/zinc/34/04/21/336340421.db2.gz POMNCYKUTNOOAL-ZDUSSCGKSA-N 0 0 301.365 3.892 10 0 DHAERN Fc1ccc([C@@H]2OCC[C@@H]2Nc2ccnc(Cl)c2)cc1F ZINC000302001344 336342523 /nfs/dbraw/zinc/34/25/23/336342523.db2.gz JFSRYHQTVIRVKS-ZFWWWQNUSA-N 0 0 310.731 3.955 10 0 DHAERN Cc1cc(NC[C@](C)(O)c2ccccc2Cl)nc(C(C)C)n1 ZINC000302191203 336353272 /nfs/dbraw/zinc/35/32/72/336353272.db2.gz YWVAMPPJVCWIJK-KRWDZBQOSA-N 0 0 319.836 3.881 10 0 DHAERN CS(=O)(=O)c1ccc(N[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000302195788 336353412 /nfs/dbraw/zinc/35/34/12/336353412.db2.gz XHBBCHRJJVFEIS-KRWDZBQOSA-N 0 0 319.401 3.719 10 0 DHAERN C[C@H](CCC1CC1)Nc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000302225621 336355006 /nfs/dbraw/zinc/35/50/06/336355006.db2.gz RRVVZWPIJZVLQV-GFCCVEGCSA-N 0 0 317.820 3.877 10 0 DHAERN C[C@H]1CN(c2nc(-c3ccccc3)nc3ccccc32)CCC1=O ZINC000302462693 336359250 /nfs/dbraw/zinc/35/92/50/336359250.db2.gz RWVAPBORHPVCNG-AWEZNQCLSA-N 0 0 317.392 3.712 10 0 DHAERN CN(C)c1ccc(CCNc2nc(C(C)(C)C)ns2)cc1 ZINC000302501311 336360204 /nfs/dbraw/zinc/36/02/04/336360204.db2.gz LMDHUNYICZBIKE-UHFFFAOYSA-N 0 0 304.463 3.556 10 0 DHAERN CCc1cc(=O)n2nc(NCC[C@H](C)CC(C)(C)C)sc2n1 ZINC000302518270 336360761 /nfs/dbraw/zinc/36/07/61/336360761.db2.gz AMLIXOAFJANESF-NSHDSACASA-N 0 0 322.478 3.588 10 0 DHAERN CC[C@@H](Nc1ccc(C(=O)OC)c(OC)n1)c1cccs1 ZINC000302806353 336370037 /nfs/dbraw/zinc/37/00/37/336370037.db2.gz FXAHFHMDTIRWRH-LLVKDONJSA-N 0 0 306.387 3.502 10 0 DHAERN CCOc1ccc2c(c1)CN(c1ncnc3c(F)cccc31)CC2 ZINC000302873733 336372685 /nfs/dbraw/zinc/37/26/85/336372685.db2.gz CVVVMEZGSLYEOZ-UHFFFAOYSA-N 0 0 323.371 3.730 10 0 DHAERN O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccco2)cc1)C1CC1 ZINC000116049117 336830598 /nfs/dbraw/zinc/83/05/98/336830598.db2.gz GCLQRDURHMAGKT-MRXNPFEDSA-N 0 0 324.380 3.605 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000120417636 336911839 /nfs/dbraw/zinc/91/18/39/336911839.db2.gz JCDHOZILQJRTQB-KBPBESRZSA-N 0 0 305.368 3.765 10 0 DHAERN C[C@@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000121135136 336931820 /nfs/dbraw/zinc/93/18/20/336931820.db2.gz VCCPESWDTNSKTA-UMVBOHGHSA-N 0 0 302.418 3.871 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O1 ZINC000122256443 337000472 /nfs/dbraw/zinc/00/04/72/337000472.db2.gz BYMURXLCXAZCFD-WRWORJQWSA-N 0 0 307.699 3.865 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccn3C(C)C)C2)n1 ZINC000123029780 337034297 /nfs/dbraw/zinc/03/42/97/337034297.db2.gz QFYDJVAIDJFIAO-CQSZACIVSA-N 0 0 317.458 3.854 10 0 DHAERN CC(C)[C@@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000123177258 337038846 /nfs/dbraw/zinc/03/88/46/337038846.db2.gz UNOYBTSXNFJTHL-RBUKOAKNSA-N 0 0 324.424 3.501 10 0 DHAERN C[C@@H](NC(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000194040011 337081360 /nfs/dbraw/zinc/08/13/60/337081360.db2.gz CDHXYYSHJYYUPK-MRVPVSSYSA-N 0 0 311.172 3.666 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)c2ccc(C(F)(F)F)cc2)cs1 ZINC000170497307 337083264 /nfs/dbraw/zinc/08/32/64/337083264.db2.gz KQZHPMLPMPLTTK-MRVPVSSYSA-N 0 0 314.332 3.961 10 0 DHAERN CCOc1ccccc1[C@H](CC)NC(=O)N1CCS[C@H](C)C1 ZINC000170881702 337083317 /nfs/dbraw/zinc/08/33/17/337083317.db2.gz YYPRDLMLNANKRC-HIFRSBDPSA-N 0 0 322.474 3.683 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc(-c3ccc(F)cc3)no2)o1 ZINC000171234604 337086147 /nfs/dbraw/zinc/08/61/47/337086147.db2.gz ZMAWMGBXYFDQTE-NSHDSACASA-N 0 0 301.321 3.628 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171454755 337087377 /nfs/dbraw/zinc/08/73/77/337087377.db2.gz ORYOCHGSTJRJKM-GDBMZVCRSA-N 0 0 306.454 3.626 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)N[C@@H](C)C2CCCC2)cc1OC ZINC000172181376 337090321 /nfs/dbraw/zinc/09/03/21/337090321.db2.gz YENSNTKYPBTLKM-QWHCGFSZSA-N 0 0 320.433 3.643 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1ccc(C)cc1 ZINC000172017038 337090922 /nfs/dbraw/zinc/09/09/22/337090922.db2.gz BFSWNOQLUCKPCB-INIZCTEOSA-N 0 0 312.417 3.714 10 0 DHAERN C[C@@H](NC(=O)C[C@H]1CCOc2ccccc21)c1cccs1 ZINC000172035750 337091038 /nfs/dbraw/zinc/09/10/38/337091038.db2.gz UETBRFCAWMREAS-CHWSQXEVSA-N 0 0 301.411 3.882 10 0 DHAERN CCCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000172243544 337091489 /nfs/dbraw/zinc/09/14/89/337091489.db2.gz VLAYEMZYKQLJSL-GFCCVEGCSA-N 0 0 304.415 3.974 10 0 DHAERN CCc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1 ZINC000172246203 337091522 /nfs/dbraw/zinc/09/15/22/337091522.db2.gz ZUFMHQSCFOLDQF-SFHVURJKSA-N 0 0 324.472 3.904 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccc3c(c1)CCC3)C2 ZINC000172290339 337091609 /nfs/dbraw/zinc/09/16/09/337091609.db2.gz RYDGBIQIBHFGRZ-UHFFFAOYSA-N 0 0 309.457 3.591 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593873 337130237 /nfs/dbraw/zinc/13/02/37/337130237.db2.gz WBKABYIAQNPMNM-CHWSQXEVSA-N 0 0 320.820 3.597 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593882 337130243 /nfs/dbraw/zinc/13/02/43/337130243.db2.gz IPFKFAHDWDBXMN-QWRGUYRKSA-N 0 0 308.328 3.544 10 0 DHAERN CC(C)c1nccc(N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 ZINC000172809214 337131285 /nfs/dbraw/zinc/13/12/85/337131285.db2.gz SQHQNHQSVAREEK-SJORKVTESA-N 0 0 311.429 3.693 10 0 DHAERN CCc1ccsc1C(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000173084871 337131958 /nfs/dbraw/zinc/13/19/58/337131958.db2.gz DXAGUYQUVMDAJD-GFCCVEGCSA-N 0 0 319.430 3.794 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC[C@H](C)C3)C2)n1 ZINC000173411339 337135049 /nfs/dbraw/zinc/13/50/49/337135049.db2.gz WNEFFSMWECXZEW-NWANDNLSSA-N 0 0 306.475 3.984 10 0 DHAERN CSc1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)o1 ZINC000173422637 337135191 /nfs/dbraw/zinc/13/51/91/337135191.db2.gz CJCNADXSIANUEY-NSHDSACASA-N 0 0 322.455 3.786 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 ZINC000173426747 337135208 /nfs/dbraw/zinc/13/52/08/337135208.db2.gz BUTRBJWNJFJPEA-ZDUSSCGKSA-N 0 0 320.483 3.770 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 ZINC000173428208 337135250 /nfs/dbraw/zinc/13/52/50/337135250.db2.gz IPLDTZYEQMHCHK-LBPRGKRZSA-N 0 0 321.471 3.545 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC2(CCCC2)C1 ZINC000173757302 337136058 /nfs/dbraw/zinc/13/60/58/337136058.db2.gz AZDBISRXQISGST-UONOGXRCSA-N 0 0 305.368 3.861 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000173573374 337136518 /nfs/dbraw/zinc/13/65/18/337136518.db2.gz TTXDGNUEWUMMPH-IAGOWNOFSA-N 0 0 305.466 3.962 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3CC[C@H](C)O3)C2)n1 ZINC000174606040 337142830 /nfs/dbraw/zinc/14/28/30/337142830.db2.gz HBFBYLMEOURVSA-ZNMIVQPWSA-N 0 0 322.474 3.505 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@@H](C)C3CCCC3)C2)n1 ZINC000174920332 337143725 /nfs/dbraw/zinc/14/37/25/337143725.db2.gz OJLLBVHOWLUKDE-ZFWWWQNUSA-N 0 0 321.490 3.919 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@H](C)C3CC3)C2)n1 ZINC000175535734 337147975 /nfs/dbraw/zinc/14/79/75/337147975.db2.gz XYPQYCFLXUHGTA-TZMCWYRMSA-N 0 0 321.490 3.954 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)o1 ZINC000176063938 337150324 /nfs/dbraw/zinc/15/03/24/337150324.db2.gz PVGNVCVIXRPSMN-CYBMUJFWSA-N 0 0 322.364 3.638 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccc(F)cc2)no1 ZINC000176331279 337150896 /nfs/dbraw/zinc/15/08/96/337150896.db2.gz VNCABKRFPVKNDE-CYBMUJFWSA-N 0 0 318.352 3.701 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000176420621 337151220 /nfs/dbraw/zinc/15/12/20/337151220.db2.gz RRSGYEPCPVGUNY-DLBZAZTESA-N 0 0 320.481 3.724 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CCc1ccoc1 ZINC000177222952 337154842 /nfs/dbraw/zinc/15/48/42/337154842.db2.gz JSNKKYBKZFYKBQ-QGZVFWFLSA-N 0 0 313.397 3.591 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NCCCC(C)(C)C)no1 ZINC000177543912 337156588 /nfs/dbraw/zinc/15/65/88/337156588.db2.gz HSNPQOHNWRLSKD-CYBMUJFWSA-N 0 0 322.453 3.866 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)o1 ZINC000177532768 337156677 /nfs/dbraw/zinc/15/66/77/337156677.db2.gz KNDHGFAFOPZBHY-SSDOTTSWSA-N 0 0 301.239 3.635 10 0 DHAERN CC(=O)Nc1cccc(NCc2nc3ccccc3nc2C)c1C ZINC000178247216 337161652 /nfs/dbraw/zinc/16/16/52/337161652.db2.gz ZUZFRBOHMXJVNQ-UHFFFAOYSA-N 0 0 320.396 3.817 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)C(=O)Nc2ccsc2)cc1 ZINC000178156345 337162701 /nfs/dbraw/zinc/16/27/01/337162701.db2.gz SNPXKGADNRVZAO-LBPRGKRZSA-N 0 0 316.426 3.687 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(Br)c(F)c2)o1 ZINC000220929171 337167054 /nfs/dbraw/zinc/16/70/54/337167054.db2.gz XUPSYUUHGSAJKS-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN Cc1cnc([C@H](C)NCc2cc(Br)ccc2F)o1 ZINC000220906043 337167095 /nfs/dbraw/zinc/16/70/95/337167095.db2.gz DLXDOMGFOHQSMU-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC[C@H]1c1ccco1 ZINC000179465145 337169625 /nfs/dbraw/zinc/16/96/25/337169625.db2.gz NCYQDANPXHJQPK-INIZCTEOSA-N 0 0 310.328 3.944 10 0 DHAERN Cc1c(C(=O)N2CCCC[C@H]2c2nccs2)cnn1C(C)C ZINC000180150371 337175033 /nfs/dbraw/zinc/17/50/33/337175033.db2.gz WOQFMIZQBIGASW-AWEZNQCLSA-N 0 0 318.446 3.596 10 0 DHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1F ZINC000180599019 337176535 /nfs/dbraw/zinc/17/65/35/337176535.db2.gz QDYALRARXYAUNH-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN CC[C@@H](C)[C@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000180894185 337178368 /nfs/dbraw/zinc/17/83/68/337178368.db2.gz SAGJQOYWIKFTEZ-NEPJUHHUSA-N 0 0 305.422 3.515 10 0 DHAERN CC[C@H](C)[C@H](C)C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000180894205 337178471 /nfs/dbraw/zinc/17/84/71/337178471.db2.gz SAGJQOYWIKFTEZ-RYUDHWBXSA-N 0 0 305.422 3.515 10 0 DHAERN C[C@H]1C[C@H](C(=O)N(C)c2cccnc2N(C)C)CC(C)(C)C1 ZINC000180971520 337178980 /nfs/dbraw/zinc/17/89/80/337178980.db2.gz UYKWKGPSCSHFBB-KBPBESRZSA-N 0 0 303.450 3.573 10 0 DHAERN Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1O ZINC000181200552 337180173 /nfs/dbraw/zinc/18/01/73/337180173.db2.gz LSVZNYWLYPZBBK-OAHLLOKOSA-N 0 0 311.381 3.733 10 0 DHAERN CCc1nc(CC(=O)N[C@@H]2c3cc(C)ccc3C[C@H]2C)cs1 ZINC000181257120 337180743 /nfs/dbraw/zinc/18/07/43/337180743.db2.gz RHHBKEMWKGOGKC-XIKOKIGWSA-N 0 0 314.454 3.606 10 0 DHAERN C[C@@H](NCc1nc(-c2ccc(F)c(F)c2)no1)c1cccs1 ZINC000182553133 337188933 /nfs/dbraw/zinc/18/89/33/337188933.db2.gz CARQVAOKHSWDQH-SECBINFHSA-N 0 0 321.352 3.927 10 0 DHAERN COc1cc(CN(C)C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)ccc1O ZINC000183125188 337190015 /nfs/dbraw/zinc/19/00/15/337190015.db2.gz SVIDPMXQEMIEFJ-ZFWWWQNUSA-N 0 0 319.445 3.822 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000183649337 337194100 /nfs/dbraw/zinc/19/41/00/337194100.db2.gz MNMUETGPPLTKPM-IJEWVQPXSA-N 0 0 303.450 3.546 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC(C)(C)C1 ZINC000183886105 337195171 /nfs/dbraw/zinc/19/51/71/337195171.db2.gz ZOQQCESPTCHYIJ-ZFWWWQNUSA-N 0 0 303.450 3.578 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC(C)(C)C1 ZINC000183886122 337195245 /nfs/dbraw/zinc/19/52/45/337195245.db2.gz ZOQQCESPTCHYIJ-UKRRQHHQSA-N 0 0 303.450 3.578 10 0 DHAERN O=C(CCc1ccc(O)cc1)N[C@H]1CCCc2cc(F)ccc21 ZINC000184095904 337196198 /nfs/dbraw/zinc/19/61/98/337196198.db2.gz ZHIXNJHNUJORDX-SFHVURJKSA-N 0 0 313.372 3.658 10 0 DHAERN Cc1nnc([C@@H](C)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)[nH]1 ZINC000392356147 337205171 /nfs/dbraw/zinc/20/51/71/337205171.db2.gz SVLVBHJPQDBXPF-NKWVEPMBSA-N 0 0 317.195 3.971 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(C)cc2Br)o1 ZINC000227556234 337249399 /nfs/dbraw/zinc/24/93/99/337249399.db2.gz CLPPDMDEQZYOND-LLVKDONJSA-N 0 0 309.207 3.905 10 0 DHAERN Cc1csc([C@H]2CN(CCCCc3ccccc3)CCO2)n1 ZINC000186905179 337260197 /nfs/dbraw/zinc/26/01/97/337260197.db2.gz SDRGILMLPVQCOA-QGZVFWFLSA-N 0 0 316.470 3.848 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCCO[C@@H]2CC(C)C)o1 ZINC000187466734 337266165 /nfs/dbraw/zinc/26/61/65/337266165.db2.gz BPJUCOXDUGOPNH-OFQRWUPVSA-N 0 0 308.422 3.542 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000187836838 337268297 /nfs/dbraw/zinc/26/82/97/337268297.db2.gz YGJWSOWKBMMRLK-MRXNPFEDSA-N 0 0 305.393 3.715 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000188051092 337270343 /nfs/dbraw/zinc/27/03/43/337270343.db2.gz AUTOBHUPVQMEPD-ZWNOBZJWSA-N 0 0 301.308 3.545 10 0 DHAERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089281 337270414 /nfs/dbraw/zinc/27/04/14/337270414.db2.gz PNBJEHFIFHPAKI-IUODEOHRSA-N 0 0 302.397 3.555 10 0 DHAERN CCCn1ccc2ccc(NC(=O)[C@@H]3CCCO[C@H]3C)cc21 ZINC000188592077 337272691 /nfs/dbraw/zinc/27/26/91/337272691.db2.gz YRNMAAXOYHGTSB-XJKSGUPXSA-N 0 0 300.402 3.805 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000188996568 337276262 /nfs/dbraw/zinc/27/62/62/337276262.db2.gz MPTZXHXVNHXCKV-YJBOKZPZSA-N 0 0 324.424 3.620 10 0 DHAERN COCCc1ccccc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000189486574 337279530 /nfs/dbraw/zinc/27/95/30/337279530.db2.gz OZNKDNNHNMUQFC-MRXNPFEDSA-N 0 0 314.385 3.838 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCOc3c(C)cccc32)o1 ZINC000189779776 337282167 /nfs/dbraw/zinc/28/21/67/337282167.db2.gz GIDBPAYNCIPOMY-UKRRQHHQSA-N 0 0 314.385 3.780 10 0 DHAERN COc1ccc(Cl)c(CSCc2nnc(C3CC3)n2C)c1 ZINC000190999028 337292159 /nfs/dbraw/zinc/29/21/59/337292159.db2.gz HMUFQTMIVQOEOM-UHFFFAOYSA-N 0 0 323.849 3.788 10 0 DHAERN CCOC(=O)[C@H](NCc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000192942423 337308592 /nfs/dbraw/zinc/30/85/92/337308592.db2.gz OWELJFHVTZONKP-OAHLLOKOSA-N 0 0 307.777 3.635 10 0 DHAERN CC(C)=CCC[C@H](C)CCN1CCOC[C@@H]1c1nc(C)no1 ZINC000193314352 337309821 /nfs/dbraw/zinc/30/98/21/337309821.db2.gz WHGMKOIBFHJLNS-GOEBONIOSA-N 0 0 307.438 3.524 10 0 DHAERN CCOC(=O)C[C@@H]1C[C@H]([C@@H](C)OC(=O)c2ccccc2)C1(C)C ZINC000584600366 337370660 /nfs/dbraw/zinc/37/06/60/337370660.db2.gz JJBXJRNRYCKXTL-VNQPRFMTSA-N 0 0 318.413 3.847 10 0 DHAERN O=C(c1cnc2c(cccc2C(F)(F)F)c1)c1ccccn1 ZINC000584605954 337371544 /nfs/dbraw/zinc/37/15/44/337371544.db2.gz ASAKVLWVLBIRLJ-UHFFFAOYSA-N 0 0 302.255 3.880 10 0 DHAERN O=C(Cc1cccc2nccn21)Nc1cc2ccccc2s1 ZINC000584605449 337371552 /nfs/dbraw/zinc/37/15/52/337371552.db2.gz OFKJKVRGHNVEPS-UHFFFAOYSA-N 0 0 307.378 3.730 10 0 DHAERN O=C1[C@H]2CCCCCCCCN2C(=S)N1c1ccccc1 ZINC000584605810 337371579 /nfs/dbraw/zinc/37/15/79/337371579.db2.gz LZZYAKIUZJXSID-OAHLLOKOSA-N 0 0 302.443 3.733 10 0 DHAERN O=C(c1ccccn1)c1ccnc2c1cccc2C(F)(F)F ZINC000584606066 337371668 /nfs/dbraw/zinc/37/16/68/337371668.db2.gz KQXIXURNBCFJSL-UHFFFAOYSA-N 0 0 302.255 3.880 10 0 DHAERN COc1cc2cc(C)nc([C@@H](O)c3ccccc3)c2cc1OC ZINC000584620041 337371838 /nfs/dbraw/zinc/37/18/38/337371838.db2.gz YUFYYHQDCIIMDN-IBGZPJMESA-N 0 0 309.365 3.642 10 0 DHAERN CCCCC[C@H](O)/C=C\CCCC(=O)CCCCC(=O)OC ZINC000584615684 337372779 /nfs/dbraw/zinc/37/27/79/337372779.db2.gz GCDPERZEZJYPGJ-FGLWMGOFSA-N 0 0 312.450 3.957 10 0 DHAERN CCOC(=O)C1=C(Cc2cccc(OC)c2OC)CCCC1 ZINC000584616343 337372923 /nfs/dbraw/zinc/37/29/23/337372923.db2.gz BKVUUOPUPOJWRP-UHFFFAOYSA-N 0 0 304.386 3.680 10 0 DHAERN CC(=O)Nc1nc(-c2ccc(F)c(C(F)(F)F)c2)cs1 ZINC000584591135 337373468 /nfs/dbraw/zinc/37/34/68/337373468.db2.gz KCAZYBRGKJKRLO-UHFFFAOYSA-N 0 0 304.268 3.926 10 0 DHAERN CCOC(=O)[C@@H](Cc1ccc(C)c(Cl)c1)C(=O)C(F)(F)F ZINC000584596360 337374252 /nfs/dbraw/zinc/37/42/52/337374252.db2.gz XVQUHFUUIHQNBA-JTQLQIEISA-N 0 0 322.710 3.502 10 0 DHAERN CCOc1cc2c(c3ccccc13)O[C@@H]1CCCC[C@]1(O)O2 ZINC000584596794 337374309 /nfs/dbraw/zinc/37/43/09/337374309.db2.gz FCDIQTPCNROHJK-AEFFLSMTSA-N 0 0 300.354 3.641 10 0 DHAERN COC(=O)[C@@H](Cc1ccccc1)c1cccc(Br)c1 ZINC000584596992 337374316 /nfs/dbraw/zinc/37/43/16/337374316.db2.gz XYAYRKDWCHVUHO-HNNXBMFYSA-N 0 0 319.198 3.948 10 0 DHAERN COCSc1c(C)cc(C)cc1I ZINC000584625106 337375355 /nfs/dbraw/zinc/37/53/55/337375355.db2.gz GQPQNKSTUMJXEO-UHFFFAOYSA-N 0 0 308.184 3.604 10 0 DHAERN O=C1[C@H](c2ccccc2)CCN1c1ccc(-c2cnco2)cc1 ZINC000584629845 337376553 /nfs/dbraw/zinc/37/65/53/337376553.db2.gz PRXGBPBJCZSFCC-KRWDZBQOSA-N 0 0 304.349 3.862 10 0 DHAERN CCC[C@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584633169 337377455 /nfs/dbraw/zinc/37/74/55/337377455.db2.gz YOQFGVLBHCKWKH-NSHDSACASA-N 0 0 302.349 3.512 10 0 DHAERN CCOC(=O)[C@]1(Cl)C[C@H]1C(=O)c1cccc2ccccc21 ZINC000584660378 337378226 /nfs/dbraw/zinc/37/82/26/337378226.db2.gz ZVWFJRZOKFNXMW-YOEHRIQHSA-N 0 0 302.757 3.583 10 0 DHAERN O[C@@H](c1ccccn1)c1ccnc2c1cccc2C(F)(F)F ZINC000584637185 337379436 /nfs/dbraw/zinc/37/94/36/337379436.db2.gz BWPNVVUDNFZXQK-OAHLLOKOSA-N 0 0 304.271 3.730 10 0 DHAERN Cc1ccccc1-c1nnc2c(Br)cnc(Cl)n21 ZINC000584640923 337379935 /nfs/dbraw/zinc/37/99/35/337379935.db2.gz RTYHUVAROCASFS-UHFFFAOYSA-N 0 0 323.581 3.516 10 0 DHAERN CSc1c(Br)ccc(C2=NC(C)(C)CO2)c1F ZINC000584648700 337380393 /nfs/dbraw/zinc/38/03/93/337380393.db2.gz LPUFHLHEOHYZJO-UHFFFAOYSA-N 0 0 318.211 3.866 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(C)cc(C)c1 ZINC000105846678 337386788 /nfs/dbraw/zinc/38/67/88/337386788.db2.gz YXYQYFQGEDFJJK-QGZVFWFLSA-N 0 0 311.429 3.631 10 0 DHAERN C[C@@H](Cc1cccs1)NC(=O)N[C@@H]1CCOc2ccccc21 ZINC000028413456 337388260 /nfs/dbraw/zinc/38/82/60/337388260.db2.gz NAXBHHGGSYJGBS-SWLSCSKDSA-N 0 0 316.426 3.502 10 0 DHAERN CCn1nc(C)c([C@H](C)Nc2cnn(Cc3ccccc3)c2)c1C ZINC000309789594 337388337 /nfs/dbraw/zinc/38/83/37/337388337.db2.gz HIIOITCRYFSMBV-AWEZNQCLSA-N 0 0 323.444 3.938 10 0 DHAERN O=C(c1cccc(-n2cccc2)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888140 337391315 /nfs/dbraw/zinc/39/13/15/337391315.db2.gz SSZSVKYRFYKPLV-SFHVURJKSA-N 0 0 320.396 3.568 10 0 DHAERN COc1ccc(SCC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116040935 337392214 /nfs/dbraw/zinc/39/22/14/337392214.db2.gz SUSHWOGTLWHSJM-OAHLLOKOSA-N 0 0 317.410 3.744 10 0 DHAERN COc1nc(C(=O)N2CCC[C@H]2c2ccco2)cc2ccccc21 ZINC000116042891 337392298 /nfs/dbraw/zinc/39/22/98/337392298.db2.gz ZFUBNOGSFWQMBK-INIZCTEOSA-N 0 0 322.364 3.814 10 0 DHAERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000116048961 337392374 /nfs/dbraw/zinc/39/23/74/337392374.db2.gz HSGYUMUJCMLVGB-KRWDZBQOSA-N 0 0 321.380 3.751 10 0 DHAERN CCOc1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116048528 337392409 /nfs/dbraw/zinc/39/24/09/337392409.db2.gz OCZDVXZRTQIERK-KRWDZBQOSA-N 0 0 313.397 3.975 10 0 DHAERN CC(C)Oc1cccc(CC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116048591 337392414 /nfs/dbraw/zinc/39/24/14/337392414.db2.gz OCAJEBZUVOVJDU-QGZVFWFLSA-N 0 0 313.397 3.973 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116212757 337392601 /nfs/dbraw/zinc/39/26/01/337392601.db2.gz YLYZWZVSYVONLX-INIZCTEOSA-N 0 0 311.381 3.915 10 0 DHAERN CCOc1ccccc1CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116423715 337392635 /nfs/dbraw/zinc/39/26/35/337392635.db2.gz MZAZIXBUYCSSBX-OAHLLOKOSA-N 0 0 314.385 3.725 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000117142767 337393240 /nfs/dbraw/zinc/39/32/40/337393240.db2.gz DJLBPPUZFPLRAR-CVEARBPZSA-N 0 0 321.465 3.766 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)/C=C/C1CCCCC1 ZINC000117793082 337393643 /nfs/dbraw/zinc/39/36/43/337393643.db2.gz JWVVNHQPJRBJBX-FLVLSHQESA-N 0 0 315.461 3.837 10 0 DHAERN COc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)n1 ZINC000124011798 337403078 /nfs/dbraw/zinc/40/30/78/337403078.db2.gz WRAWYZCITJZBDY-SECBINFHSA-N 0 0 321.327 3.560 10 0 DHAERN C[C@H](NCc1cn2cccnc2n1)c1ccc(Cl)c(Cl)c1 ZINC000124034304 337403180 /nfs/dbraw/zinc/40/31/80/337403180.db2.gz XQYNVFSROBSHFW-JTQLQIEISA-N 0 0 321.211 3.887 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CCCCO3)C2)n1 ZINC000124652172 337406684 /nfs/dbraw/zinc/40/66/84/337406684.db2.gz RHMVMPNJAMMNCJ-DZGCQCFKSA-N 0 0 322.474 3.542 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](c1ccco1)c1ccccc1)c1ccncc1 ZINC000043185969 337409924 /nfs/dbraw/zinc/40/99/24/337409924.db2.gz PNBFIIODSMIDAY-RDTXWAMCSA-N 0 0 321.380 3.824 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)Nc2ccnn2C)cc1 ZINC000125209129 337409933 /nfs/dbraw/zinc/40/99/33/337409933.db2.gz HUNYTCAFRDJOAE-ZDUSSCGKSA-N 0 0 300.406 3.501 10 0 DHAERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)n1 ZINC000125493393 337412155 /nfs/dbraw/zinc/41/21/55/337412155.db2.gz FITVWHUUYLLCEH-WBHUJUFNSA-N 0 0 311.429 3.816 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)NC[C@@H]2CCCS2)o1 ZINC000126445922 337416861 /nfs/dbraw/zinc/41/68/61/337416861.db2.gz RYCCOUFXGGWQLI-UONOGXRCSA-N 0 0 308.447 3.720 10 0 DHAERN O=C(CCc1ccoc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128801160 337426930 /nfs/dbraw/zinc/42/69/30/337426930.db2.gz IMFLRCCCFWBNMS-AWEZNQCLSA-N 0 0 311.303 3.502 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2N(C)C2CCCC2)O1 ZINC000129748465 337430503 /nfs/dbraw/zinc/43/05/03/337430503.db2.gz UWWMPAJJAYTMMP-SUMWQHHRSA-N 0 0 302.418 3.571 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCc2ccc(OC(C)C)cc2)o1 ZINC000048059986 337432342 /nfs/dbraw/zinc/43/23/42/337432342.db2.gz HCYIZUHIHUFAPO-AWEZNQCLSA-N 0 0 316.401 3.936 10 0 DHAERN C[C@@H](N[C@@H]1CC(C)(C)Cc2occc21)c1nnc2n1CCCC2 ZINC000130910688 337435196 /nfs/dbraw/zinc/43/51/96/337435196.db2.gz YONJBDDJGKSMMJ-TZMCWYRMSA-N 0 0 314.433 3.572 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@@H]3CC[C@H](C)C3)C2)n1 ZINC000132291164 337441878 /nfs/dbraw/zinc/44/18/78/337441878.db2.gz CCPYERAJBSFKOG-NWANDNLSSA-N 0 0 306.475 3.984 10 0 DHAERN C[C@@H](NC(=O)NCc1ccncc1)c1ccc(Cl)c(Cl)c1 ZINC000050128562 337441895 /nfs/dbraw/zinc/44/18/95/337441895.db2.gz PGWZBRBXOHAOID-SNVBAGLBSA-N 0 0 324.211 3.949 10 0 DHAERN CCc1oc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1C ZINC000132718322 337443181 /nfs/dbraw/zinc/44/31/81/337443181.db2.gz APUSCSSWRWXMDB-GFCCVEGCSA-N 0 0 317.389 3.634 10 0 DHAERN O=C(CCSc1ccc(F)cc1)N[C@@H]1COc2ccccc21 ZINC000058727027 337458679 /nfs/dbraw/zinc/45/86/79/337458679.db2.gz CMMOIAJTTISBMJ-OAHLLOKOSA-N 0 0 317.385 3.558 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(Br)cn1 ZINC000061873418 337459833 /nfs/dbraw/zinc/45/98/33/337459833.db2.gz HFFDENAMXOVXPX-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN O=C(CCc1ccccc1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555200 337460147 /nfs/dbraw/zinc/46/01/47/337460147.db2.gz KBZUCOALTJCSAL-LJQANCHMSA-N 0 0 323.436 3.937 10 0 DHAERN COc1cc(NC(=O)N[C@H]2COc3ccccc32)ccc1Cl ZINC000194369998 337462374 /nfs/dbraw/zinc/46/23/74/337462374.db2.gz LNMVMJZBTBGBRJ-ZDUSSCGKSA-N 0 0 318.760 3.604 10 0 DHAERN COc1c(C)ccc(NC(=O)N[C@@H]2COc3ccccc32)c1C ZINC000194730678 337463495 /nfs/dbraw/zinc/46/34/95/337463495.db2.gz FBBRGPOTCXWAMH-OAHLLOKOSA-N 0 0 312.369 3.567 10 0 DHAERN C[C@H](NC(=O)C1=CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000195029893 337464675 /nfs/dbraw/zinc/46/46/75/337464675.db2.gz WVGZMTPHUCHGPH-VIFPVBQESA-N 0 0 300.185 3.517 10 0 DHAERN Fc1ccc2c(c1)CCC[C@@H]2N[C@H](c1ncc[nH]1)c1cccnc1 ZINC000195086553 337464826 /nfs/dbraw/zinc/46/48/26/337464826.db2.gz XXDSBXJHMNKKJK-ROUUACIJSA-N 0 0 322.387 3.700 10 0 DHAERN Cc1csc2c1ncnc2NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000195337129 337467751 /nfs/dbraw/zinc/46/77/51/337467751.db2.gz XHPLZFYARCNPKU-LBPRGKRZSA-N 0 0 324.409 3.538 10 0 DHAERN CCC(CC)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000073431782 337549890 /nfs/dbraw/zinc/54/98/90/337549890.db2.gz FZESRPNSZBPKKM-UHFFFAOYSA-N 0 0 307.413 3.600 10 0 DHAERN O=C(c1ccc(F)c(F)c1F)N1CCC[C@H]1c1nccs1 ZINC000074909314 337552781 /nfs/dbraw/zinc/55/27/81/337552781.db2.gz HNWSHMNWRQFGGM-JTQLQIEISA-N 0 0 312.316 3.538 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C[C@H]1n1ccnc1 ZINC000247452911 337559701 /nfs/dbraw/zinc/55/97/01/337559701.db2.gz JINRXOHITHLLIP-BZZMCLGOSA-N 0 0 315.461 3.509 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000248561158 337564713 /nfs/dbraw/zinc/56/47/13/337564713.db2.gz MNMUETGPPLTKPM-FMKPAKJESA-N 0 0 303.450 3.546 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)C2)c1 ZINC000248611503 337566144 /nfs/dbraw/zinc/56/61/44/337566144.db2.gz WIORXANXACNYIQ-HYVNUMGLSA-N 0 0 317.477 3.817 10 0 DHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000248967632 337569042 /nfs/dbraw/zinc/56/90/42/337569042.db2.gz OLGMLKJLFUWNEZ-FRRDWIJNSA-N 0 0 318.442 3.631 10 0 DHAERN CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000251441447 337582040 /nfs/dbraw/zinc/58/20/40/337582040.db2.gz BDMJVMUUQHQLMP-LUKYLMHMSA-N 0 0 319.445 3.911 10 0 DHAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000251645006 337583621 /nfs/dbraw/zinc/58/36/21/337583621.db2.gz ILHYZUULLSNPFD-RKVPGOIHSA-N 0 0 318.461 3.673 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C)nc3C)C2)cc1 ZINC000078188252 337592369 /nfs/dbraw/zinc/59/23/69/337592369.db2.gz MSRLRSBZOIABDP-RHSMWYFYSA-N 0 0 324.424 3.725 10 0 DHAERN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C[C@@H](O)C(C)C ZINC000161757463 337596595 /nfs/dbraw/zinc/59/65/95/337596595.db2.gz KJLIWHSCJQWBDV-IAGOWNOFSA-N 0 0 321.461 3.696 10 0 DHAERN Cc1ccc(N)cc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000262386103 337618025 /nfs/dbraw/zinc/61/80/25/337618025.db2.gz ORWNHOAEJWGHGH-CQSZACIVSA-N 0 0 308.425 3.947 10 0 DHAERN CCc1noc(-c2ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c2)n1 ZINC000079850719 337633455 /nfs/dbraw/zinc/63/34/55/337633455.db2.gz PSVHMHLYWVBTGT-LBPRGKRZSA-N 0 0 316.405 3.773 10 0 DHAERN CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081584786 337725904 /nfs/dbraw/zinc/72/59/04/337725904.db2.gz YAGKVIVOHXSHIE-JKSUJKDBSA-N 0 0 318.465 3.534 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCCO1)c1c(Cl)ccc(F)c1Cl ZINC000120211297 337871543 /nfs/dbraw/zinc/87/15/43/337871543.db2.gz BURSCWISECWZPO-GZMMTYOYSA-N 0 0 320.191 3.879 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2COc3ccccc32)c(Cl)c1 ZINC000058601603 337876886 /nfs/dbraw/zinc/87/68/86/337876886.db2.gz XDEVWRQHEHKWHN-AWEZNQCLSA-N 0 0 302.761 3.904 10 0 DHAERN Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)o1 ZINC000090202353 337879081 /nfs/dbraw/zinc/87/90/81/337879081.db2.gz MZUXBEQHOXSCHH-AWEZNQCLSA-N 0 0 303.749 3.504 10 0 DHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)OCc1nc(C2CC2)cs1 ZINC000091135622 337889915 /nfs/dbraw/zinc/88/99/15/337889915.db2.gz LZKIFQMQIOUANP-QFYYESIMSA-N 0 0 315.394 3.628 10 0 DHAERN CC(C)c1nn(C)c(Cl)c1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000092729369 337907645 /nfs/dbraw/zinc/90/76/45/337907645.db2.gz WVLZDNHYYSTBJU-ZDUSSCGKSA-N 0 0 321.856 3.647 10 0 DHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCc2cc(F)ccc2C1 ZINC000122132613 337908463 /nfs/dbraw/zinc/90/84/63/337908463.db2.gz UKCCXZJNNHWBGB-ROUUACIJSA-N 0 0 301.405 3.927 10 0 DHAERN O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000085986973 338012834 /nfs/dbraw/zinc/01/28/34/338012834.db2.gz OGSNCDRVTFPWIL-ZANVPECISA-N 0 0 317.216 3.666 10 0 DHAERN O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccc(Cl)c(Cl)c1 ZINC000085986976 338012860 /nfs/dbraw/zinc/01/28/60/338012860.db2.gz OGSNCDRVTFPWIL-TVQRCGJNSA-N 0 0 317.216 3.666 10 0 DHAERN C[C@@H](SCc1nccs1)C(=O)N[C@@H](C)c1ccccc1 ZINC000161771329 338051663 /nfs/dbraw/zinc/05/16/63/338051663.db2.gz JKGSRYGXWGUEQZ-NWDGAFQWSA-N 0 0 306.456 3.642 10 0 DHAERN CC[C@@H](NC(=O)c1occc1Br)c1ccccc1 ZINC000433872847 338204037 /nfs/dbraw/zinc/20/40/37/338204037.db2.gz NLRODXDZYNJIAM-GFCCVEGCSA-N 0 0 308.175 3.923 10 0 DHAERN Cc1cc(Br)c(F)cc1N[C@H]1CCOC[C@H]1C ZINC000195120307 338852444 /nfs/dbraw/zinc/85/24/44/338852444.db2.gz GJZUWIOYZCXAIT-SKDRFNHKSA-N 0 0 302.187 3.734 10 0 DHAERN CCNc1ccc(Cl)cc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000195170975 338858112 /nfs/dbraw/zinc/85/81/12/338858112.db2.gz KQIFMUZJOZXQCU-CVEARBPZSA-N 0 0 322.836 3.555 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc2c(s1)CCC2 ZINC000172975701 340350942 /nfs/dbraw/zinc/35/09/42/340350942.db2.gz XNQNAVFKIRGJAF-ZDUSSCGKSA-N 0 0 315.438 3.572 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)C(C)(C)c1ccccc1 ZINC000172976188 340350981 /nfs/dbraw/zinc/35/09/81/340350981.db2.gz BAXGYXYTPPXEHG-MRXNPFEDSA-N 0 0 311.425 3.686 10 0 DHAERN CCN(C(=O)N[C@@H](C)COCc1ccccc1)[C@@H](C)C(C)C ZINC000173335974 340362807 /nfs/dbraw/zinc/36/28/07/340362807.db2.gz NOMCPVZOTCZPGN-HOTGVXAUSA-N 0 0 306.450 3.668 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000173337887 340362943 /nfs/dbraw/zinc/36/29/43/340362943.db2.gz JQUVYSCRRYJGHM-GJZGRUSLSA-N 0 0 316.445 3.564 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000173374511 340363688 /nfs/dbraw/zinc/36/36/88/340363688.db2.gz XFTHBDUHZZQKOC-GOEBONIOSA-N 0 0 302.418 3.588 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCCOCC(C)C)o1 ZINC000173549863 340367467 /nfs/dbraw/zinc/36/74/67/340367467.db2.gz VLBOSDOOZXZAPK-INIZCTEOSA-N 0 0 322.449 3.887 10 0 DHAERN CSCc1cc(C(=O)N[C@@H]2COc3ccccc32)ccc1F ZINC000174146962 340382998 /nfs/dbraw/zinc/38/29/98/340382998.db2.gz MVNQYZJSVYAPFO-OAHLLOKOSA-N 0 0 317.385 3.552 10 0 DHAERN C[C@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1ccc(F)cc1 ZINC000174818699 340396737 /nfs/dbraw/zinc/39/67/37/340396737.db2.gz KEPVHKBKMNWOKW-NEPJUHHUSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccs1 ZINC000174821982 340396794 /nfs/dbraw/zinc/39/67/94/340396794.db2.gz GZIBFVJZRJFFTA-OLZOCXBDSA-N 0 0 300.427 3.966 10 0 DHAERN O=C(c1cccc2c1CCC2)N1CCCC[C@H]1c1nccs1 ZINC000175294640 340408312 /nfs/dbraw/zinc/40/83/12/340408312.db2.gz LPWJRTRZUTWASQ-INIZCTEOSA-N 0 0 312.438 3.999 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc(Cl)cn1)c1ccc(F)c(F)c1 ZINC000175811540 340420457 /nfs/dbraw/zinc/42/04/57/340420457.db2.gz FTFGWYIMYQINCK-MRVPVSSYSA-N 0 0 311.719 3.896 10 0 DHAERN CC[C@H](C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000175882113 340422503 /nfs/dbraw/zinc/42/25/03/340422503.db2.gz UHABKRHPXOOLEC-KKUMJFAQSA-N 0 0 314.433 3.667 10 0 DHAERN C[C@@H](NC(=O)NCCc1cc(F)ccc1F)c1cccs1 ZINC000177335852 340439429 /nfs/dbraw/zinc/43/94/29/340439429.db2.gz KYSOQCWBNJWEAH-SNVBAGLBSA-N 0 0 310.369 3.629 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CCOC1)c1ccc(-c2ccccc2)cc1 ZINC000178743286 340451887 /nfs/dbraw/zinc/45/18/87/340451887.db2.gz CCLFVKNQZTXRHJ-KSSFIOAISA-N 0 0 310.397 3.503 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3ccnc3)cc2)cc1F ZINC000088252916 340459624 /nfs/dbraw/zinc/45/96/24/340459624.db2.gz VULMLVHVDQIVSB-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN CC(C)C[C@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000185517605 340502153 /nfs/dbraw/zinc/50/21/53/340502153.db2.gz TVGVVHFKTGEQKI-JSGCOSHPSA-N 0 0 301.352 3.958 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000186023244 340507507 /nfs/dbraw/zinc/50/75/07/340507507.db2.gz FZTJMZDAHIBHJM-RKDXNWHRSA-N 0 0 321.726 3.608 10 0 DHAERN COC(=O)C1CCC(C(=O)NCC[C@@H](C)CC(C)(C)C)CC1 ZINC000188859199 340522685 /nfs/dbraw/zinc/52/26/85/340522685.db2.gz PFPMKHVOAYBJHR-WLYUNCDWSA-N 0 0 311.466 3.544 10 0 DHAERN COc1cccc(Cl)c1CNC(=O)N[C@@H](C)c1cccs1 ZINC000190480970 340545455 /nfs/dbraw/zinc/54/54/55/340545455.db2.gz WMEDXDLBPBGTMU-JTQLQIEISA-N 0 0 324.833 3.971 10 0 DHAERN C[C@@H](NC(=O)c1cn2ccnc2s1)c1ccc(F)c(Cl)c1 ZINC000190992246 340548866 /nfs/dbraw/zinc/54/88/66/340548866.db2.gz LNOFIIKESQOICG-MRVPVSSYSA-N 0 0 323.780 3.679 10 0 DHAERN Cc1cccc(C2(NC(=O)[C@H]3CCCO[C@H]3C)CCCC2)c1 ZINC000191132218 340550441 /nfs/dbraw/zinc/55/04/41/340550441.db2.gz TVWZJWJRVRXRNZ-RDJZCZTQSA-N 0 0 301.430 3.696 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1C(F)(F)F ZINC000191595276 340556348 /nfs/dbraw/zinc/55/63/48/340556348.db2.gz KNONHHAHDHJYGJ-CMPLNLGQSA-N 0 0 301.308 3.767 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2nccn2-c2ccccc2)cc1 ZINC000192014402 340560962 /nfs/dbraw/zinc/56/09/62/340560962.db2.gz YJHYMSMZKSWLQQ-CQSZACIVSA-N 0 0 321.380 3.623 10 0 DHAERN Cc1nnc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)s1 ZINC000192640925 340568200 /nfs/dbraw/zinc/56/82/00/340568200.db2.gz IUDAKEADPBRAIX-VBYSZHOYSA-N 0 0 320.462 3.573 10 0 DHAERN Cc1c([C@@H](C)NC(=O)OCC2CC2)cnn1-c1ccc(F)cc1 ZINC000192855409 340570375 /nfs/dbraw/zinc/57/03/75/340570375.db2.gz MSUBVEMKMVWNLM-LLVKDONJSA-N 0 0 317.364 3.517 10 0 DHAERN CCOC(=O)[C@H](NCc1ccsc1)c1ccc(Cl)cc1 ZINC000192945623 340570821 /nfs/dbraw/zinc/57/08/21/340570821.db2.gz UBBLMHAKSVITDZ-CQSZACIVSA-N 0 0 309.818 3.796 10 0 DHAERN CCOCCOc1ccc(Cl)cc1N[C@H]1CCOC[C@@H]1C ZINC000195097993 340574197 /nfs/dbraw/zinc/57/41/97/340574197.db2.gz OABYQMKJFLWHLA-JSGCOSHPSA-N 0 0 313.825 3.592 10 0 DHAERN C[C@@H](NC(=O)c1nc2cccnc2s1)c1ccc(Cl)s1 ZINC000193876842 340585260 /nfs/dbraw/zinc/58/52/60/340585260.db2.gz XPYARNLUOWRIRG-SSDOTTSWSA-N 0 0 323.830 3.897 10 0 DHAERN C[C@H](NC(=O)C1CCC(O)CC1)c1ccc(Cl)c(Cl)c1 ZINC000194025782 340588128 /nfs/dbraw/zinc/58/81/28/340588128.db2.gz OCBKQPSRBAHLTE-BMQDGWLCSA-N 0 0 316.228 3.722 10 0 DHAERN CCS[C@@H]1CC[C@@H](Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000228022877 340605834 /nfs/dbraw/zinc/60/58/34/340605834.db2.gz SZOFTNDQCOGIRL-ZIAGYGMSSA-N 0 0 313.488 3.566 10 0 DHAERN CCOC(=O)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 ZINC000037952709 340788702 /nfs/dbraw/zinc/78/87/02/340788702.db2.gz FUFFUIBYTWOTSO-INIZCTEOSA-N 0 0 303.789 3.734 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000125146714 340802627 /nfs/dbraw/zinc/80/26/27/340802627.db2.gz MAQUZFJNIGEPGU-LKFCYVNXSA-N 0 0 304.187 3.741 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)NCCCC(C)(C)CO)c2ccccc21 ZINC000128280185 340865045 /nfs/dbraw/zinc/86/50/45/340865045.db2.gz GHTXNKBYGZMOGQ-RHSMWYFYSA-N 0 0 318.461 3.723 10 0 DHAERN Cc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)s1 ZINC000128891979 340925647 /nfs/dbraw/zinc/92/56/47/340925647.db2.gz BCFNLNPKOTUXFC-CYBMUJFWSA-N 0 0 313.344 3.960 10 0 DHAERN CC[C@@H](SC)C(=O)N1C[C@@H](c2ccccc2)OCC1(C)C ZINC000129353084 340954367 /nfs/dbraw/zinc/95/43/67/340954367.db2.gz ZHNWPXBLGFUGGF-LSDHHAIUSA-N 0 0 307.459 3.507 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1O)C1(c2cccc(Cl)c2)CCCC1 ZINC000130410932 341021047 /nfs/dbraw/zinc/02/10/47/341021047.db2.gz DPEWTKHSBFVESE-CVEARBPZSA-N 0 0 321.848 3.572 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2Cl)O1 ZINC000130441481 341021882 /nfs/dbraw/zinc/02/18/82/341021882.db2.gz WCSQDWUHRXVKRL-CPCISQLKSA-N 0 0 318.598 3.609 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(Cl)cc1F ZINC000130514743 341025379 /nfs/dbraw/zinc/02/53/79/341025379.db2.gz CDHSTCQLQMYRNR-OAHLLOKOSA-N 0 0 321.783 3.878 10 0 DHAERN O=C(Cc1cccc(Cl)c1)Nc1ccc2c(c1)CCCN2 ZINC000071214706 341025845 /nfs/dbraw/zinc/02/58/45/341025845.db2.gz UQZKVFBIZFUTEC-UHFFFAOYSA-N 0 0 300.789 3.879 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N2c3ccccc3OC[C@H]2C)cc1 ZINC000072531683 341090102 /nfs/dbraw/zinc/09/01/02/341090102.db2.gz MFSAQNVLZYTIGV-ZIAGYGMSSA-N 0 0 311.381 3.613 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)NCCc2cscn2)c2ccccc21 ZINC000131532164 341094444 /nfs/dbraw/zinc/09/44/44/341094444.db2.gz KFWMJXFLDQQXBO-BLLLJJGKSA-N 0 0 315.442 3.623 10 0 DHAERN CC[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000132450344 341123528 /nfs/dbraw/zinc/12/35/28/341123528.db2.gz PVHYRAVCADCWKS-KZNAEPCWSA-N 0 0 301.430 3.551 10 0 DHAERN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000132663982 341137870 /nfs/dbraw/zinc/13/78/70/341137870.db2.gz GAYSQZMKMJECQM-GJZGRUSLSA-N 0 0 310.401 3.627 10 0 DHAERN CCCC(=O)N[C@@H]1CCCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000074547108 341148047 /nfs/dbraw/zinc/14/80/47/341148047.db2.gz LJTSWOFGWGBAKY-IAGOWNOFSA-N 0 0 322.493 3.500 10 0 DHAERN O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCCc2ccccc21 ZINC000133324517 341172914 /nfs/dbraw/zinc/17/29/14/341172914.db2.gz HOPOCXFONKMJEY-KRWDZBQOSA-N 0 0 301.336 3.701 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000133676970 341181357 /nfs/dbraw/zinc/18/13/57/341181357.db2.gz DHJQKWBLNURAAP-OLZOCXBDSA-N 0 0 310.825 3.547 10 0 DHAERN O=C(Nc1nnc(C(F)(F)F)s1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000133845732 341193355 /nfs/dbraw/zinc/19/33/55/341193355.db2.gz JNBWGLZRMVDMIG-RKDXNWHRSA-N 0 0 319.352 3.712 10 0 DHAERN CCc1cc(C)c(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)o1 ZINC000134898680 341226213 /nfs/dbraw/zinc/22/62/13/341226213.db2.gz YWOYPTQAFCETBZ-GFCCVEGCSA-N 0 0 317.385 3.659 10 0 DHAERN CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000077540347 341226523 /nfs/dbraw/zinc/22/65/23/341226523.db2.gz IXYQKCJGAOGJKT-CJNGLKHVSA-N 0 0 306.475 3.847 10 0 DHAERN CCN(CC)C(=O)CN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135129676 341232011 /nfs/dbraw/zinc/23/20/11/341232011.db2.gz TZGLNAYQPXMQJU-VIFPVBQESA-N 0 0 321.223 3.652 10 0 DHAERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000078744751 341247362 /nfs/dbraw/zinc/24/73/62/341247362.db2.gz MCCSSLIBYWQKQR-MNOVXSKESA-N 0 0 301.308 3.552 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)o1 ZINC000081229515 341282465 /nfs/dbraw/zinc/28/24/65/341282465.db2.gz YWARHJSIYFRAPC-LBPRGKRZSA-N 0 0 300.402 3.981 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NC2C[C@H](C)O[C@@H](C)C2)o1 ZINC000245501764 341297884 /nfs/dbraw/zinc/29/78/84/341297884.db2.gz DMQLWUQIHXWLRT-DZKIICNBSA-N 0 0 320.433 3.781 10 0 DHAERN CC[C@](C)(CCO)NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000245552378 341301569 /nfs/dbraw/zinc/30/15/69/341301569.db2.gz QJLAESKHVAZSPB-JENIJYKNSA-N 0 0 303.446 3.581 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)CCO1 ZINC000245662009 341308330 /nfs/dbraw/zinc/30/83/30/341308330.db2.gz FWHLQBRZOQOVAL-RAIGVLPGSA-N 0 0 313.800 3.862 10 0 DHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000081937650 341310607 /nfs/dbraw/zinc/31/06/07/341310607.db2.gz RMYKHIMUAZPSMZ-RHSMWYFYSA-N 0 0 318.461 3.750 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2[C@H](C)O)cc1 ZINC000246068021 341323466 /nfs/dbraw/zinc/32/34/66/341323466.db2.gz DSUMPZZRGYJFJF-UDTPNQRGSA-N 0 0 315.457 3.675 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)O1 ZINC000246077753 341324020 /nfs/dbraw/zinc/32/40/20/341324020.db2.gz SYFFIEXARMJEER-JLZZUVOBSA-N 0 0 305.393 3.741 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)cc1 ZINC000246294789 341340485 /nfs/dbraw/zinc/34/04/85/341340485.db2.gz DOTKEFYVPHIWKR-CXHZTBPHSA-N 0 0 301.430 3.978 10 0 DHAERN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)N[C@H]1CCOc2ccccc21 ZINC000246339795 341342965 /nfs/dbraw/zinc/34/29/65/341342965.db2.gz GVZXBEBPUUXVGN-YQFWSFKMSA-N 0 0 314.429 3.873 10 0 DHAERN CC(C)[C@H](C(=O)N[C@H](C)[C@H]1CCCO1)c1cccc(Cl)c1 ZINC000246376299 341345619 /nfs/dbraw/zinc/34/56/19/341345619.db2.gz BBQIELCPYZIMBO-WQVCFCJDSA-N 0 0 309.837 3.763 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000246554564 341353605 /nfs/dbraw/zinc/35/36/05/341353605.db2.gz DOZMKWOKNFGCJA-DPZWOIPNSA-N 0 0 321.420 3.894 10 0 DHAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000246625065 341354713 /nfs/dbraw/zinc/35/47/13/341354713.db2.gz QWQZMCHRRDOVBD-RVKKMQEKSA-N 0 0 316.445 3.836 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000246778701 341356890 /nfs/dbraw/zinc/35/68/90/341356890.db2.gz QSUDPCLLOUUHKH-VJANTYMQSA-N 0 0 315.457 3.581 10 0 DHAERN C[C@H]1CC(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@H](C)C1 ZINC000246980942 341359483 /nfs/dbraw/zinc/35/94/83/341359483.db2.gz QXYMAISAODKWLP-IJLUTSLNSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@H]21)c1ccc(F)c(F)c1 ZINC000247468400 341365330 /nfs/dbraw/zinc/36/53/30/341365330.db2.gz RUTGQKUGLIIFJB-MQIPJXDCSA-N 0 0 308.372 4.000 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCO[C@H]1C ZINC000251219612 341414083 /nfs/dbraw/zinc/41/40/83/341414083.db2.gz XJTCWFCTLHSTGZ-AITUJVMLSA-N 0 0 315.457 3.986 10 0 DHAERN CC(C)CSCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000153259870 341532019 /nfs/dbraw/zinc/53/20/19/341532019.db2.gz KZOBWKDWECKVNJ-CQSZACIVSA-N 0 0 310.463 3.905 10 0 DHAERN COC[C@H](C)C(=O)N1CCC[C@H](CCCc2ccccc2)C1 ZINC000153829218 341579811 /nfs/dbraw/zinc/57/98/11/341579811.db2.gz DDXZIGFAHKMKNY-WMZOPIPTSA-N 0 0 303.446 3.530 10 0 DHAERN C[C@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000154559900 341591452 /nfs/dbraw/zinc/59/14/52/341591452.db2.gz BDBLEMOGSJVHNO-UFBFGSQYSA-N 0 0 321.726 3.656 10 0 DHAERN COC(=O)C1(NCc2ccc3ccccc3n2)CCCCCC1 ZINC000154785814 341596051 /nfs/dbraw/zinc/59/60/51/341596051.db2.gz RWAWRGQVAXXOER-UHFFFAOYSA-N 0 0 312.413 3.590 10 0 DHAERN CS[C@H](C)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000163761671 341701006 /nfs/dbraw/zinc/70/10/06/341701006.db2.gz TXZGDZFVEFXXIT-OLZOCXBDSA-N 0 0 302.443 3.952 10 0 DHAERN CC[C@@H](C)Oc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171380058 341776525 /nfs/dbraw/zinc/77/65/25/341776525.db2.gz UPRXQCNRIBSHJS-OLZOCXBDSA-N 0 0 308.447 3.833 10 0 DHAERN C[C@H](NCc1ccc2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000174660400 341830335 /nfs/dbraw/zinc/83/03/35/341830335.db2.gz OKCJEYXLBLVTKW-LBPRGKRZSA-N 0 0 310.401 3.766 10 0 DHAERN CC1(C)CCCC[C@@H]1NC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000176793451 341900724 /nfs/dbraw/zinc/90/07/24/341900724.db2.gz YTOCMHOOHIUPCV-RYUDHWBXSA-N 0 0 306.372 3.939 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC000178910885 341970907 /nfs/dbraw/zinc/97/09/07/341970907.db2.gz DEUHHTUASOUIRA-CQSZACIVSA-N 0 0 317.477 3.645 10 0 DHAERN Cc1cc(CC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000074435510 518187033 /nfs/dbraw/zinc/18/70/33/518187033.db2.gz GEKIFTDLBCTLHR-CYBMUJFWSA-N 0 0 300.402 3.700 10 0 DHAERN C/C=C(/CC)C(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000190321056 518480114 /nfs/dbraw/zinc/48/01/14/518480114.db2.gz QXWIBZMAENPVPD-KYHFQZCVSA-N 0 0 317.458 3.830 10 0 DHAERN CC(C)C[C@@H](NCc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181800150 519251049 /nfs/dbraw/zinc/25/10/49/519251049.db2.gz HWFDGFGUSGUNMM-MRXNPFEDSA-N 0 0 300.450 3.816 10 0 DHAERN CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109095401 519527467 /nfs/dbraw/zinc/52/74/67/519527467.db2.gz CCFUQBZPQUFUNF-CHWSQXEVSA-N 0 0 319.355 3.560 10 0 DHAERN CC(C)CO[C@H](C)c1noc(CN[C@@H](C)c2cccs2)n1 ZINC000182552137 519761199 /nfs/dbraw/zinc/76/11/99/519761199.db2.gz JWQFKUDNIKOBOI-NWDGAFQWSA-N 0 0 309.435 3.716 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)Cc2ccncc2)cc1 ZINC000182103159 519763546 /nfs/dbraw/zinc/76/35/46/519763546.db2.gz MIHAUDNFLKJSSC-HNNXBMFYSA-N 0 0 312.413 3.536 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2(C)CCOCC2)cc1 ZINC000130516544 519840398 /nfs/dbraw/zinc/84/03/98/519840398.db2.gz LGJAXBMTUNCIJJ-IAGOWNOFSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCCCCCO)cc1 ZINC000182296179 519840444 /nfs/dbraw/zinc/84/04/44/519840444.db2.gz SPHJXAUSTAISDB-QZTJIDSGSA-N 0 0 303.446 3.582 10 0 DHAERN CCC1CCC(NC(=O)c2ccncc2Br)CC1 ZINC000128972102 519856272 /nfs/dbraw/zinc/85/62/72/519856272.db2.gz ZAQABYSIPQRWMJ-UHFFFAOYSA-N 0 0 311.223 3.543 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C=C2CCC(C)CC2)no1 ZINC000173462782 519866894 /nfs/dbraw/zinc/86/68/94/519866894.db2.gz NKZPNDPEBOZXAF-WUJWULDRSA-N 0 0 317.433 3.993 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc(Cl)c2)no1 ZINC000173456185 519868561 /nfs/dbraw/zinc/86/85/61/519868561.db2.gz FNUYOFDFZSNMHK-CYBMUJFWSA-N 0 0 319.792 3.824 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2c(F)cccc2Cl)n1C ZINC000181757330 519887863 /nfs/dbraw/zinc/88/78/63/519887863.db2.gz ASUKIGPFPDFCTI-SNVBAGLBSA-N 0 0 310.804 3.582 10 0 DHAERN CCN(C(=O)[C@H](C)N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000193114245 520040049 /nfs/dbraw/zinc/04/00/49/520040049.db2.gz DBLXWCQNOBWFKU-GJZGRUSLSA-N 0 0 300.402 3.680 10 0 DHAERN CC1(C)C[C@@H](NC(=O)c2cc(C3CC3)on2)c2ccccc2O1 ZINC000177780710 520521221 /nfs/dbraw/zinc/52/12/21/520521221.db2.gz XLDJYOXFCKFGMS-CQSZACIVSA-N 0 0 312.369 3.584 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1cccc(F)c1Br ZINC000233389771 521252111 /nfs/dbraw/zinc/25/21/11/521252111.db2.gz DSGDBVDMDKFVLR-GZMMTYOYSA-N 0 0 300.171 3.507 10 0 DHAERN CCCCc1nc(CSCc2nnc(C3CC3)n2C)cs1 ZINC000179824466 521306978 /nfs/dbraw/zinc/30/69/78/521306978.db2.gz OTCSFAXDYSRLAB-UHFFFAOYSA-N 0 0 322.503 3.925 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191669203 521310695 /nfs/dbraw/zinc/31/06/95/521310695.db2.gz KZYUTULOEZPZHS-CMPLNLGQSA-N 0 0 301.839 3.565 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H](C)c2ccc(C)o2)CCCC1 ZINC000156024499 521686936 /nfs/dbraw/zinc/68/69/36/521686936.db2.gz GOURHGFMPICDLS-HNNXBMFYSA-N 0 0 322.449 3.935 10 0 DHAERN COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1C ZINC000103244434 522110042 /nfs/dbraw/zinc/11/00/42/522110042.db2.gz PRNRLTNTUXMISZ-LBPRGKRZSA-N 0 0 316.357 3.566 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)[C@@H](CC)SC)C2)n1 ZINC000131116085 522117264 /nfs/dbraw/zinc/11/72/64/522117264.db2.gz VQNZTFPPZIHSAL-WCQYABFASA-N 0 0 312.504 3.553 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC1CCCC1 ZINC000189321150 522177584 /nfs/dbraw/zinc/17/75/84/522177584.db2.gz MCQXAPFJXPSRLA-LLVKDONJSA-N 0 0 311.809 3.882 10 0 DHAERN COc1cc(CN2CCCC[C@H]2c2nccs2)cc(OC)c1 ZINC000127669652 522373788 /nfs/dbraw/zinc/37/37/88/522373788.db2.gz JAJZVVPRZDTLML-INIZCTEOSA-N 0 0 318.442 3.888 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1csc(Cl)c1 ZINC000191337062 522519159 /nfs/dbraw/zinc/51/91/59/522519159.db2.gz IADUQPQFVIAEHE-MWLCHTKSSA-N 0 0 310.854 3.741 10 0 DHAERN COc1cc(F)c(NC(=O)N2CCC[C@H]2c2ccco2)cc1F ZINC000156258769 522574452 /nfs/dbraw/zinc/57/44/52/522574452.db2.gz WEFMRQOBYFRRMI-ZDUSSCGKSA-N 0 0 322.311 3.935 10 0 DHAERN CC[C@@H](N[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1F ZINC000161754911 522924030 /nfs/dbraw/zinc/92/40/30/522924030.db2.gz KLHYVFWJXYADHG-CHWSQXEVSA-N 0 0 308.788 3.646 10 0 DHAERN CCn1c(C)nnc1COc1ccccc1Cc1ccccc1 ZINC000180310456 523156581 /nfs/dbraw/zinc/15/65/81/523156581.db2.gz YXHVAKBGDHNDBM-UHFFFAOYSA-N 0 0 307.397 3.776 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)CCO1 ZINC000183367441 523529046 /nfs/dbraw/zinc/52/90/46/523529046.db2.gz FWHLQBRZOQOVAL-WCFLWFBJSA-N 0 0 313.800 3.862 10 0 DHAERN CN(c1ncnc2c3ccccc3oc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000156736589 523669504 /nfs/dbraw/zinc/66/95/04/523669504.db2.gz XOTWJDDGFXFCEO-JLZZUVOBSA-N 0 0 323.396 3.626 10 0 DHAERN CN(C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000123515004 523880575 /nfs/dbraw/zinc/88/05/75/523880575.db2.gz TYQNLHUYCIUZTP-HNNXBMFYSA-N 0 0 300.402 3.627 10 0 DHAERN CO[C@H](C)c1noc(CN[C@H](C)c2ccc3ccccc3c2)n1 ZINC000181489177 523923077 /nfs/dbraw/zinc/92/30/77/523923077.db2.gz UOUTYMXYXDMRLC-CHWSQXEVSA-N 0 0 311.385 3.781 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccnc(F)c2F)o1 ZINC000193568048 524035171 /nfs/dbraw/zinc/03/51/71/524035171.db2.gz KRULNGSRIGNBIV-ZDUSSCGKSA-N 0 0 320.339 3.883 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccnc(F)c2)o1 ZINC000128327106 524035612 /nfs/dbraw/zinc/03/56/12/524035612.db2.gz OFUPKQODZBJSHB-AWEZNQCLSA-N 0 0 302.349 3.744 10 0 DHAERN Cc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)c1 ZINC000174885998 524176707 /nfs/dbraw/zinc/17/67/07/524176707.db2.gz MECXXPKMZZECFN-MOPGFXCFSA-N 0 0 309.409 3.723 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCSc3ccc(Cl)cc32)O1 ZINC000156722754 524554582 /nfs/dbraw/zinc/55/45/82/524554582.db2.gz VVZHVOFZJZLHLU-MFKMUULPSA-N 0 0 311.834 3.736 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)NCc1ccccc1COCc1ccccc1 ZINC000170807101 524848878 /nfs/dbraw/zinc/84/88/78/524848878.db2.gz YOIFRWGWEARBFU-KXBFYZLASA-N 0 0 324.424 3.611 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000188870226 525015036 /nfs/dbraw/zinc/01/50/36/525015036.db2.gz VIWOAOSOGZODTO-RISCZKNCSA-N 0 0 307.365 3.511 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000188870183 525016351 /nfs/dbraw/zinc/01/63/51/525016351.db2.gz VIWOAOSOGZODTO-BXUZGUMPSA-N 0 0 307.365 3.511 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000162551506 525064731 /nfs/dbraw/zinc/06/47/31/525064731.db2.gz LJKYNNZPGVSKIH-MAUKXSAKSA-N 0 0 318.461 3.719 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C[C@H](O)C(C)C ZINC000162551392 525064993 /nfs/dbraw/zinc/06/49/93/525064993.db2.gz LJKYNNZPGVSKIH-YJBOKZPZSA-N 0 0 318.461 3.719 10 0 DHAERN C[C@@H](NC(=O)N(C)CCOCc1ccccc1)c1cccs1 ZINC000176433959 525149132 /nfs/dbraw/zinc/14/91/32/525149132.db2.gz SLFYKUKMMUQAPE-CQSZACIVSA-N 0 0 318.442 3.667 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccc2ccccc2c1 ZINC000131810981 525177190 /nfs/dbraw/zinc/17/71/90/525177190.db2.gz SCXACRMDHKQDBX-GUYCJALGSA-N 0 0 319.408 3.860 10 0 DHAERN CSCCCCCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182201806 525412439 /nfs/dbraw/zinc/41/24/39/525412439.db2.gz UZVAQUABFPKHIY-HNNXBMFYSA-N 0 0 324.494 3.570 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccncc1C(F)(F)F ZINC000192133053 525414867 /nfs/dbraw/zinc/41/48/67/525414867.db2.gz ASJCZODCHRSWTR-NSHDSACASA-N 0 0 308.303 3.900 10 0 DHAERN Cc1cccnc1COC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000180327255 525526561 /nfs/dbraw/zinc/52/65/61/525526561.db2.gz ZWDSWDYDLVRORU-STQMWFEESA-N 0 0 303.308 3.515 10 0 DHAERN C[C@@H](NCc1nc(C2CC2)no1)c1ccccc1Br ZINC000181568433 525558638 /nfs/dbraw/zinc/55/86/38/525558638.db2.gz AFBMCRCDSBLAHQ-SECBINFHSA-N 0 0 322.206 3.560 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000191466027 525559156 /nfs/dbraw/zinc/55/91/56/525559156.db2.gz WHMAJDMPELKWAI-GXTWGEPZSA-N 0 0 322.836 3.694 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000189086086 525559960 /nfs/dbraw/zinc/55/99/60/525559960.db2.gz LULXUGPGCKURMS-WOSRLPQWSA-N 0 0 307.821 3.819 10 0 DHAERN C[C@@H](NCc1nnc(C2CC2)n1C1CC1)c1ccc(F)c(F)c1 ZINC000181617978 525566124 /nfs/dbraw/zinc/56/61/24/525566124.db2.gz PNSNUTVYZVGGSS-SNVBAGLBSA-N 0 0 318.371 3.619 10 0 DHAERN CSC[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000066758552 525611700 /nfs/dbraw/zinc/61/17/00/525611700.db2.gz TZDUJAZJBCFDNX-ZJUUUORDSA-N 0 0 316.264 3.625 10 0 DHAERN Cc1ccc([C@@H](C)NCc2cnn(Cc3ccc(F)cc3)c2)o1 ZINC000188998832 525737444 /nfs/dbraw/zinc/73/74/44/525737444.db2.gz UPMMZBVHTJTKIV-CQSZACIVSA-N 0 0 313.376 3.823 10 0 DHAERN Cc1c(Cl)cccc1NC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151691748 525769904 /nfs/dbraw/zinc/76/99/04/525769904.db2.gz ODLYQTDABQITNR-DYVFJYSZSA-N 0 0 322.836 3.807 10 0 DHAERN CS[C@@H](C)CC(=O)N[C@@H](C)c1ccccc1Br ZINC000155684769 525791951 /nfs/dbraw/zinc/79/19/51/525791951.db2.gz DMOOKGMWPSUOGA-UWVGGRQHSA-N 0 0 316.264 3.768 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2cccc(F)n2)o1 ZINC000129032335 525800492 /nfs/dbraw/zinc/80/04/92/525800492.db2.gz MCGWUAOBXIBILF-LBPRGKRZSA-N 0 0 303.337 3.881 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2Cc2nc(-c3ccco3)no2)o1 ZINC000124768821 525803189 /nfs/dbraw/zinc/80/31/89/525803189.db2.gz AOVDHOMQGLVSAN-ZDUSSCGKSA-N 0 0 313.357 3.958 10 0 DHAERN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000123029077 525874995 /nfs/dbraw/zinc/87/49/95/525874995.db2.gz OUJCUCFULZOXLP-QLFBSQMISA-N 0 0 315.442 3.637 10 0 DHAERN C[C@H](OC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000192104977 525886396 /nfs/dbraw/zinc/88/63/96/525886396.db2.gz FEOBTHSIYPTWFA-MISXGVKJSA-N 0 0 314.328 3.707 10 0 DHAERN C[C@H](OC1CCCCCC1)C(=O)N1CCCc2c(N)cccc21 ZINC000237556289 525896514 /nfs/dbraw/zinc/89/65/14/525896514.db2.gz VCXDWJZJJWAWFE-AWEZNQCLSA-N 0 0 316.445 3.676 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H](C)c2ncc(C)s2)o1 ZINC000183001490 525898568 /nfs/dbraw/zinc/89/85/68/525898568.db2.gz APWFPGJSLPUCIY-SKDRFNHKSA-N 0 0 307.419 3.517 10 0 DHAERN CS[C@H]1CCCCN(c2nn3cc(C(C)(C)C)nc3s2)C1 ZINC000154628907 525904186 /nfs/dbraw/zinc/90/41/86/525904186.db2.gz FBHJYWBPHXYDRI-NSHDSACASA-N 0 0 324.519 3.810 10 0 DHAERN Cc1cncc(/C=C/C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000131631616 526174080 /nfs/dbraw/zinc/17/40/80/526174080.db2.gz HIMHUCVOLACCFA-BUHQSOCUSA-N 0 0 312.335 3.641 10 0 DHAERN Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)[nH]c2c1 ZINC000113897874 526225535 /nfs/dbraw/zinc/22/55/35/526225535.db2.gz IKXUDMASCASTMJ-QGZVFWFLSA-N 0 0 308.385 3.567 10 0 DHAERN Cc1cnccc1CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000186404202 526232312 /nfs/dbraw/zinc/23/23/12/526232312.db2.gz ZLNZYQFRPLVVID-NSHDSACASA-N 0 0 321.783 3.743 10 0 DHAERN Cc1cnccc1CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000186404225 526233618 /nfs/dbraw/zinc/23/36/18/526233618.db2.gz ZLNZYQFRPLVVID-LLVKDONJSA-N 0 0 321.783 3.743 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1Cl ZINC000130045630 526244738 /nfs/dbraw/zinc/24/47/38/526244738.db2.gz LNEOBCFSXOUAIM-HNNXBMFYSA-N 0 0 303.793 3.739 10 0 DHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000188654871 526251261 /nfs/dbraw/zinc/25/12/61/526251261.db2.gz LBQSPMPCOUPUHP-JQWIXIFHSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219860 526266642 /nfs/dbraw/zinc/26/66/42/526266642.db2.gz OEBJLCDVABLYRT-DZGCQCFKSA-N 0 0 305.372 3.868 10 0 DHAERN Cc1cnn([C@H]2CCCN([C@@H](C)c3cc(F)ccc3F)C2)c1 ZINC000106219864 526268541 /nfs/dbraw/zinc/26/85/41/526268541.db2.gz OEBJLCDVABLYRT-ZFWWWQNUSA-N 0 0 305.372 3.868 10 0 DHAERN Cc1coc(S[C@@H](C(=O)N[C@@H](C)c2ccccc2)C(C)C)n1 ZINC000188450141 526290344 /nfs/dbraw/zinc/29/03/44/526290344.db2.gz GHQQORFHUOBCRJ-DZGCQCFKSA-N 0 0 318.442 3.977 10 0 DHAERN Cc1csc(N(C(=O)[C@@H]2CCCO[C@@H]2C)c2ccccc2)n1 ZINC000191840208 526370266 /nfs/dbraw/zinc/37/02/66/526370266.db2.gz RFKPDMBSCUZMJQ-UKRRQHHQSA-N 0 0 316.426 3.931 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182360275 526508725 /nfs/dbraw/zinc/50/87/25/526508725.db2.gz VCDVXGOKDWSEPB-BDAKNGLRSA-N 0 0 323.799 3.800 10 0 DHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182360296 526517155 /nfs/dbraw/zinc/51/71/55/526517155.db2.gz VCDVXGOKDWSEPB-IUCAKERBSA-N 0 0 323.799 3.800 10 0 DHAERN Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000128457648 526531268 /nfs/dbraw/zinc/53/12/68/526531268.db2.gz QHQCUQSWLSZBTI-OLZOCXBDSA-N 0 0 315.417 3.591 10 0 DHAERN O=C(CCc1ccc(Cl)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895185 526585595 /nfs/dbraw/zinc/58/55/95/526585595.db2.gz UXHLOHNUZNOMEY-MRXNPFEDSA-N 0 0 317.820 3.750 10 0 DHAERN O=C(c1cc(F)cc2cccnc21)N1CCC[C@H]1c1ccco1 ZINC000152918169 526619945 /nfs/dbraw/zinc/61/99/45/526619945.db2.gz NGXMOAFDBTZBLW-HNNXBMFYSA-N 0 0 310.328 3.944 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)s1 ZINC000121607138 526701790 /nfs/dbraw/zinc/70/17/90/526701790.db2.gz VCJJUMGSGDUDBY-ZDUSSCGKSA-N 0 0 316.426 3.792 10 0 DHAERN O=C(c1ccc2[nH]ccc2c1)N1CCCC[C@H]1c1nccs1 ZINC000115364234 526718030 /nfs/dbraw/zinc/71/80/30/526718030.db2.gz YXISDCVFWFLOBB-HNNXBMFYSA-N 0 0 311.410 3.992 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@@H]2C[C@@H]2c2cccnc2)n1 ZINC000299751347 526741111 /nfs/dbraw/zinc/74/11/11/526741111.db2.gz QLWPPQFJYIZJKO-YJNKXOJESA-N 0 0 313.401 3.654 10 0 DHAERN O=C(c1ccnc(Cl)c1)N1CCCC[C@@H]1c1nccs1 ZINC000265270049 526843963 /nfs/dbraw/zinc/84/39/63/526843963.db2.gz VWKANYNWSVJTRD-LLVKDONJSA-N 0 0 307.806 3.559 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccco2)c1C ZINC000180369010 526903183 /nfs/dbraw/zinc/90/31/83/526903183.db2.gz SXIMAGMIWWOVHZ-HIFRSBDPSA-N 0 0 319.426 3.686 10 0 DHAERN Clc1cccc(Cl)c1CN1CCCC[C@@H]1c1nc[nH]n1 ZINC000182684575 526979621 /nfs/dbraw/zinc/97/96/21/526979621.db2.gz URHANFAWFFVPOH-CYBMUJFWSA-N 0 0 311.216 3.839 10 0 DHAERN Clc1ccccc1CCCN1CCO[C@H](c2nccs2)C1 ZINC000181866177 526986719 /nfs/dbraw/zinc/98/67/19/526986719.db2.gz JTDDCXVMDJUHCZ-HNNXBMFYSA-N 0 0 322.861 3.803 10 0 DHAERN Cn1c(CN[C@H](CC2CCC2)c2ccccc2)nnc1C1CC1 ZINC000181356957 527061775 /nfs/dbraw/zinc/06/17/75/527061775.db2.gz WIOGMRBVDRNUBR-QGZVFWFLSA-N 0 0 310.445 3.714 10 0 DHAERN Cc1ncc(/C=C/C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000112271680 527221150 /nfs/dbraw/zinc/22/11/50/527221150.db2.gz QRURURRILWYMTG-PFDYWKIBSA-N 0 0 318.364 3.702 10 0 DHAERN O=C(Cc1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893608 527249815 /nfs/dbraw/zinc/24/98/15/527249815.db2.gz KPTAETOUNPDWGI-LJQANCHMSA-N 0 0 323.440 3.585 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)c1oc2ccccc2c1C ZINC000177154096 527450666 /nfs/dbraw/zinc/45/06/66/527450666.db2.gz DNNCGAYBANWMCV-OAHLLOKOSA-N 0 0 323.396 3.551 10 0 DHAERN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156493304 527489552 /nfs/dbraw/zinc/48/95/52/527489552.db2.gz MHPOGZOBSLUASZ-CHWSQXEVSA-N 0 0 315.339 3.600 10 0 DHAERN COc1ccc(OC)c(C(=O)Cc2ccc(Cl)c(F)c2)c1 ZINC000234979449 563415974 /nfs/dbraw/zinc/41/59/74/563415974.db2.gz DLWLTMPRCNLTCP-UHFFFAOYSA-N 0 0 308.736 3.922 10 0 DHAERN COc1ccc2c(c1O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000034303692 563446372 /nfs/dbraw/zinc/44/63/72/563446372.db2.gz QREWTGIWXABZAC-PYEWSWHRSA-N 0 0 302.414 3.618 10 0 in-vitro DHAERN CCc1ccc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034708616 563451253 /nfs/dbraw/zinc/45/12/53/563451253.db2.gz JLPDONVLFQJCSE-WOJBJXKFSA-N 0 0 323.436 3.939 10 0 DHAERN N#C[C@@H](C=C1SC(=S)NC1=O)c1nc2ccccc2s1 ZINC000048552244 563466465 /nfs/dbraw/zinc/46/64/65/563466465.db2.gz HDJVYOSMKVAICD-SYNIEDPSSA-N 0 0 317.420 3.776 10 0 DHAERN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3C=C[C@H]2C)cc1 ZINC000004614800 563469032 /nfs/dbraw/zinc/46/90/32/563469032.db2.gz CXPBJXCRCAIKRD-OAHLLOKOSA-N 0 0 313.422 3.914 10 0 DHAERN CC[C@H](C)N(Cc1cc(C(C)(C)C)n[nH]1)Cc1ccncc1 ZINC000055071540 563471162 /nfs/dbraw/zinc/47/11/62/563471162.db2.gz CHYYZFRUQCXIFA-AWEZNQCLSA-N 0 0 300.450 3.903 10 0 DHAERN Cc1nc([C@H]2NCCc3ccsc32)sc1Br ZINC000719295238 563478022 /nfs/dbraw/zinc/47/80/22/563478022.db2.gz XQLFLUNAHDKTSI-QMMMGPOBSA-N 0 0 315.261 3.511 10 0 DHAERN CC(C)Cc1c(Cl)nc2cc(C(F)(F)F)ccn2c1=O ZINC000725244906 563526340 /nfs/dbraw/zinc/52/63/40/563526340.db2.gz NVVTYFPCNIQIKT-UHFFFAOYSA-N 0 0 304.699 3.565 10 0 DHAERN COc1ccc(C(=O)CSC(=S)c2ccccc2)cc1 ZINC000095092974 563528405 /nfs/dbraw/zinc/52/84/05/563528405.db2.gz HXFAXWJOTJVJAW-UHFFFAOYSA-N 0 0 302.420 3.987 10 0 DHAERN Cc1cc(Br)cc2c(Cl)c(C)c(=O)n(C)c12 ZINC000725260603 563566980 /nfs/dbraw/zinc/56/69/80/563566980.db2.gz UEMKSUREGUEZTE-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN O=C(NCc1ccccc1)c1ccc2nc3c(cc2c1)CCS3 ZINC000000216776 563578554 /nfs/dbraw/zinc/57/85/54/563578554.db2.gz IBSQBGXZZIFOPD-UHFFFAOYSA-N 0 0 320.417 3.813 10 0 DHAERN O=C(/C=C/c1ccc(Br)cc1)NCc1ccccc1 ZINC000003159341 563636042 /nfs/dbraw/zinc/63/60/42/563636042.db2.gz SPTWIJOYAZFZFE-DHZHZOJOSA-N 0 0 316.198 3.779 10 0 DHAERN CCOc1ccccc1[C@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102794545 563663026 /nfs/dbraw/zinc/66/30/26/563663026.db2.gz XXXCYYRHJOCCFV-CQSZACIVSA-N 0 0 324.409 3.794 10 0 DHAERN CCCONC(=C(C)N=O)c1ccc(OC(F)(F)F)cc1 ZINC000252540376 563883881 /nfs/dbraw/zinc/88/38/81/563883881.db2.gz PGCZYIMNWBPEIA-XFXZXTDPSA-N 0 0 304.268 3.971 10 0 DHAERN CCc1[nH]nc(I)c1-c1ccccc1C ZINC000675075747 563911180 /nfs/dbraw/zinc/91/11/80/563911180.db2.gz DUTZALWMDHSWSF-UHFFFAOYSA-N 0 0 312.154 3.552 10 0 DHAERN CCN(CC)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 ZINC000226264922 563913389 /nfs/dbraw/zinc/91/33/89/563913389.db2.gz KPNJHUVHIINOBU-UHFFFAOYSA-N 0 0 315.808 3.502 10 0 DHAERN C[C@H]1CCCCN1c1ccc(N)cc1NC(=O)c1ccccc1 ZINC000226254203 563913414 /nfs/dbraw/zinc/91/34/14/563913414.db2.gz WURILGTUCNJEHP-AWEZNQCLSA-N 0 0 309.413 3.900 10 0 DHAERN Nc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCC1 ZINC000226266991 563913625 /nfs/dbraw/zinc/91/36/25/563913625.db2.gz WIQLUKGRAGDBAQ-UHFFFAOYSA-N 0 0 315.804 3.775 10 0 DHAERN Cc1nc(C(Cl)(Cl)Cl)nc(F)c1Br ZINC000685959738 563961321 /nfs/dbraw/zinc/96/13/21/563961321.db2.gz ROMZMEAXAZLCDX-UHFFFAOYSA-N 0 0 308.365 3.513 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722136142 955193069 /nfs/dbraw/zinc/19/30/69/955193069.db2.gz QYBXKCXRROHRPV-CMPLNLGQSA-N 0 0 316.228 3.721 10 0 DHAERN C[C@@H](CCOCc1ccccc1)[NH2+]Cc1ccsc1C(=O)[O-] ZINC000389686903 972240185 /nfs/dbraw/zinc/24/01/85/972240185.db2.gz YLABJJJHMWQICL-ZDUSSCGKSA-N 0 0 319.426 3.531 10 0 DHAERN Cc1cc([C@@H](C)[NH2+]Cc2ccccc2CC(=O)[O-])c(C)s1 ZINC000167617408 959349820 /nfs/dbraw/zinc/34/98/20/959349820.db2.gz YHOLPMYKEOITBK-GFCCVEGCSA-N 0 0 303.427 3.843 10 0 DHAERN O=C([O-])[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000222444286 959815812 /nfs/dbraw/zinc/81/58/12/959815812.db2.gz LYPGZSDALZSLKO-FRRDWIJNSA-N 0 0 301.308 3.523 10 0 DHAERN CCC1([NH2+]Cc2ccc(C(=O)[O-])cc2Br)CCC1 ZINC000233055282 960313345 /nfs/dbraw/zinc/31/33/45/960313345.db2.gz WQJXMUYTVVTXCP-UHFFFAOYSA-N 0 0 312.207 3.570 10 0 DHAERN CSC1(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)CCCCC1 ZINC000314632189 963780772 /nfs/dbraw/zinc/78/07/72/963780772.db2.gz JBUGCVFTWRIGHN-SNVBAGLBSA-N 0 0 314.476 3.558 10 0 DHAERN C[C@H](N[C@@H](C)c1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000314655335 963785313 /nfs/dbraw/zinc/78/53/13/963785313.db2.gz NBBFXKFDQNINLU-IUCAKERBSA-N 0 0 310.806 3.907 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cccc2cccnc21 ZINC000692462035 976493393 /nfs/dbraw/zinc/49/33/93/976493393.db2.gz RBEYMAJTLFBALA-UHFFFAOYSA-N 0 0 320.392 3.712 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)cc1F ZINC000701224952 976997278 /nfs/dbraw/zinc/99/72/78/976997278.db2.gz ZEDUHVVQSLCURW-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c(Br)c1 ZINC000706445483 977323300 /nfs/dbraw/zinc/32/33/00/977323300.db2.gz RXJNNPVVULHINZ-CQSZACIVSA-N 0 0 324.218 3.522 10 0 DHAERN Fc1cc(F)c(CN2CCC[C@@H](c3nccs3)C2)cc1F ZINC000092788953 1032512257 /nfs/dbraw/zinc/51/22/57/1032512257.db2.gz FWVRWJGEMOBUEG-SNVBAGLBSA-N 0 0 312.360 3.940 10 0 DHAERN c1[nH]c([C@H]2CCCN(c3ccccn3)C2)nc1-c1ccccc1 ZINC000091483330 1019471973 /nfs/dbraw/zinc/47/19/73/1019471973.db2.gz RJVKUHRXSJBEKR-INIZCTEOSA-N 0 0 304.397 3.856 10 0 DHAERN Cc1nccn1-c1cncc(N[C@@H]2CCCc3ccc(F)cc32)n1 ZINC000092976487 1019555787 /nfs/dbraw/zinc/55/57/87/1019555787.db2.gz XGDIRZSJZRBAEL-MRXNPFEDSA-N 0 0 323.375 3.599 10 0 DHAERN Cc1ccc(/C=C/C(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000067046663 1030520208 /nfs/dbraw/zinc/52/02/08/1030520208.db2.gz YRFJFGHEIDGVDJ-ROJDOSBLSA-N 0 0 312.438 3.871 10 0 DHAERN Cc1ccc(-c2noc(CN(C)[C@@H](C)c3ccco3)n2)cc1F ZINC000069067151 1030544287 /nfs/dbraw/zinc/54/42/87/1030544287.db2.gz CMPBFGCYOPUYFJ-LBPRGKRZSA-N 0 0 315.348 3.970 10 0 DHAERN C[C@@H]1CN(Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715301 1030683315 /nfs/dbraw/zinc/68/33/15/1030683315.db2.gz NIFNCTUKRRIPEB-LLVKDONJSA-N 0 0 308.834 3.932 10 0 DHAERN Cc1ccc(C)c(CC(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000076207092 1030760570 /nfs/dbraw/zinc/76/05/70/1030760570.db2.gz IHUOPAXIZKPIFJ-UHFFFAOYSA-N 0 0 307.353 3.535 10 0 DHAERN Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000076986218 1030834851 /nfs/dbraw/zinc/83/48/51/1030834851.db2.gz YEUDBLIMZPQJRI-IAGOWNOFSA-N 0 0 319.364 3.787 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccccc3F)C2)cc1 ZINC000078187391 1030920386 /nfs/dbraw/zinc/92/03/86/1030920386.db2.gz QZALHDHBTWURNQ-ZFWWWQNUSA-N 0 0 313.372 3.853 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)c2ncc(F)cc2F)c2ccccc21 ZINC000190490083 334928450 /nfs/dbraw/zinc/92/84/50/334928450.db2.gz YIMCMILBLAMHTF-BMIGLBTASA-N 0 0 302.324 3.728 10 0 DHAERN CC(C)(C)OC(=O)N[C@H]1CCc2ccc(Br)cc21 ZINC000095635147 185382877 /nfs/dbraw/zinc/38/28/77/185382877.db2.gz YZEZLDIZHPBHGQ-LBPRGKRZSA-N 0 0 312.207 3.961 10 0 DHAERN CC(C)(C)OC(=O)NC(C)(C)c1ccc(Br)nc1 ZINC000095642579 185382923 /nfs/dbraw/zinc/38/29/23/185382923.db2.gz WOYXUGKXBQLLBU-UHFFFAOYSA-N 0 0 315.211 3.604 10 0 DHAERN Oc1cc(I)ccc1OC1CCCCC1 ZINC000095714034 185383315 /nfs/dbraw/zinc/38/33/15/185383315.db2.gz FLWGVPMFHGQSBZ-UHFFFAOYSA-N 0 0 318.154 3.708 10 0 DHAERN CC(C)(C)c1c(I)nccc1OC1CC1 ZINC000095724312 185383498 /nfs/dbraw/zinc/38/34/98/185383498.db2.gz JUQYMUMEHONHBP-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)(C)c1cc(I)c(OC2CC2)cn1 ZINC000095722875 185383512 /nfs/dbraw/zinc/38/35/12/185383512.db2.gz RXDOQANNJWFSFL-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN N[C@H](c1nc2c(s1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000096795220 185388730 /nfs/dbraw/zinc/38/87/30/185388730.db2.gz MBMPUUMOTYBQBO-LBPRGKRZSA-N 0 0 316.323 3.838 10 0 DHAERN CCOC(=O)c1cc2ncccc2n1Cc1ccc(F)c(C)c1 ZINC000165154017 197671028 /nfs/dbraw/zinc/67/10/28/197671028.db2.gz LDNSRIVWCLODOQ-UHFFFAOYSA-N 0 0 312.344 3.709 10 0 DHAERN COc1cc(OC)c(N[C@H](C)c2cn(C)nc2C)cc1Cl ZINC000087406531 185224212 /nfs/dbraw/zinc/22/42/12/185224212.db2.gz MUYVIDSKDQJHAB-SECBINFHSA-N 0 0 309.797 3.572 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000090224411 185287269 /nfs/dbraw/zinc/28/72/69/185287269.db2.gz HUVPHELPBUEFLJ-CXAGYDPISA-N 0 0 314.433 3.559 10 0 DHAERN CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224909 185287314 /nfs/dbraw/zinc/28/73/14/185287314.db2.gz SAUILYNAKMISNS-CABCVRRESA-N 0 0 304.825 3.816 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccccc1C(F)(F)F ZINC000090224011 185287427 /nfs/dbraw/zinc/28/74/27/185287427.db2.gz DJFSUSPQYCNPDY-YGRLFVJLSA-N 0 0 324.350 3.791 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(F)cc1Cl ZINC000090226114 185287578 /nfs/dbraw/zinc/28/75/78/185287578.db2.gz NKDMROPXYJQAJW-XPTSAGLGSA-N 0 0 308.788 3.565 10 0 DHAERN CCC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225566 185287829 /nfs/dbraw/zinc/28/78/29/185287829.db2.gz FMXNZVFOLQKACM-SJORKVTESA-N 0 0 314.433 3.561 10 0 DHAERN COc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(F)cc3)c2c1 ZINC000090548275 185302266 /nfs/dbraw/zinc/30/22/66/185302266.db2.gz OBRHWTQPLZLJTH-UHFFFAOYSA-N 0 0 312.344 3.805 10 0 DHAERN COc1ncc(-c2cccc(C=O)c2)c2c(OC(C)=O)cccc12 ZINC000090555784 185303108 /nfs/dbraw/zinc/30/31/08/185303108.db2.gz OCSLAMLIGLSMNV-UHFFFAOYSA-N 0 0 321.332 3.648 10 0 DHAERN O=C1OC2=C(C3CCCCC3)C(=O)OC2=C1C1CCCCC1 ZINC000090663014 185308623 /nfs/dbraw/zinc/30/86/23/185308623.db2.gz ALINJAHXQRXHGX-UHFFFAOYSA-N 0 0 302.370 3.769 10 0 DHAERN CC(C)(C)c1csc([C@H]2CN(Cc3ccco3)CCO2)n1 ZINC000092790619 185341223 /nfs/dbraw/zinc/34/12/23/185341223.db2.gz UBXCSVSXXJNRDH-CYBMUJFWSA-N 0 0 306.431 3.607 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3cccc(Cl)c3F)C2)no1 ZINC000092814268 185343543 /nfs/dbraw/zinc/34/35/43/185343543.db2.gz BESONSBSFZHXCC-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN Cc1ccc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)o1 ZINC000092790509 185341603 /nfs/dbraw/zinc/34/16/03/185341603.db2.gz FXKMLQRAGGUZCG-CQSZACIVSA-N 0 0 320.458 3.916 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1cc2ccccc2o1)c1ccccc1 ZINC000103362714 185448073 /nfs/dbraw/zinc/44/80/73/185448073.db2.gz KDQOGVVMDODKAX-KUHUBIRLSA-N 0 0 323.392 3.921 10 0 DHAERN COc1ccc(-c2nc(Cl)c3c(n2)CCCC3)c(OC)c1 ZINC000048771117 190676872 /nfs/dbraw/zinc/67/68/72/190676872.db2.gz FRYWTMQCAWJLHD-UHFFFAOYSA-N 0 0 304.777 3.693 10 0 DHAERN COc1ccc(N(C)c2nc(C)nc3cccc(OC)c32)cc1 ZINC000049112058 190677944 /nfs/dbraw/zinc/67/79/44/190677944.db2.gz ILGZWIYSDQMJAY-UHFFFAOYSA-N 0 0 309.369 3.723 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000226261293 201771174 /nfs/dbraw/zinc/77/11/74/201771174.db2.gz QSMHYEFRCAYLNG-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN COC[C@H](C)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000108284878 185506358 /nfs/dbraw/zinc/50/63/58/185506358.db2.gz IAJLTWRJNOEUHB-GUYCJALGSA-N 0 0 300.402 3.504 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(c1ncccc1C(F)(F)F)C2 ZINC000108952534 185543007 /nfs/dbraw/zinc/54/30/07/185543007.db2.gz PWYPGLNRQHTQPT-UHFFFAOYSA-N 0 0 324.350 3.520 10 0 DHAERN Cc1nn(-c2ccc(Br)cc2C)c(Cl)c1C=O ZINC000071670446 191002890 /nfs/dbraw/zinc/00/28/90/191002890.db2.gz YANUKKHWHMTCHG-UHFFFAOYSA-N 0 0 313.582 3.718 10 0 DHAERN FC(F)(F)c1ccc(-c2ccc(Br)nn2)cc1 ZINC000072204655 191077026 /nfs/dbraw/zinc/07/70/26/191077026.db2.gz OSFFTPAARQCKBK-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN CCOC(=O)C=C(Nc1ccccc1N)c1ccc(Cl)cc1 ZINC000072236440 191080976 /nfs/dbraw/zinc/08/09/76/191080976.db2.gz SCAUEJBJHUUPDE-LFIBNONCSA-N 0 0 316.788 3.938 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(Cl)o2)C12CCCC2 ZINC000150807484 186067583 /nfs/dbraw/zinc/06/75/83/186067583.db2.gz GJEPRPYACLXAGG-OLZOCXBDSA-N 0 0 311.809 3.743 10 0 DHAERN Clc1ccc(-c2nc3nccc(-c4ccncc4)n3n2)cc1 ZINC000072451479 191170255 /nfs/dbraw/zinc/17/02/55/191170255.db2.gz USVAMAJXXNDGBK-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN COc1ccc(-n2cc(-c3ccnc(C(C)C)n3)c(C)n2)cc1 ZINC000072461941 191173494 /nfs/dbraw/zinc/17/34/94/191173494.db2.gz NDRGXENYXWBXAA-UHFFFAOYSA-N 0 0 308.385 3.770 10 0 DHAERN Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)C(C)C ZINC000072498588 191184164 /nfs/dbraw/zinc/18/41/64/191184164.db2.gz MQTHFAHGXJWYEY-GFCCVEGCSA-N 0 0 316.401 3.645 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)o1 ZINC000072909065 191250561 /nfs/dbraw/zinc/25/05/61/191250561.db2.gz OQEHIWFUEZVRHC-WCQYABFASA-N 0 0 317.360 3.813 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)c2ccccc2)c1 ZINC000003479906 181025417 /nfs/dbraw/zinc/02/54/17/181025417.db2.gz UYBHDDUDGHKKLV-BRADTZPFSA-N 0 0 311.381 3.594 10 0 DHAERN O=C([O-])C1=CC[C@@H](CCC(c2ccccc2)c2ccccc2)[NH2+]C1 ZINC000003645754 181043404 /nfs/dbraw/zinc/04/34/04/181043404.db2.gz GTZKFZYHYBKSGJ-IBGZPJMESA-N 0 0 321.420 3.972 10 0 DHAERN Fc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 ZINC000003815197 181046700 /nfs/dbraw/zinc/04/67/00/181046700.db2.gz ZSEDCGVJIAHLRN-UHFFFAOYSA-N 0 0 319.137 3.670 10 0 DHAERN Oc1ccc2c(c1)onc2-c1ccc(O)c(Br)c1 ZINC000003819171 181047042 /nfs/dbraw/zinc/04/70/42/181047042.db2.gz BFFGFKCKGWHHPO-UHFFFAOYSA-N 0 0 306.115 3.669 10 0 DHAERN c1ccc(CSc2ncnc3c2nnn3-c2ccccc2)cc1 ZINC000004273742 181090899 /nfs/dbraw/zinc/09/08/99/181090899.db2.gz KCGHHNNZTZJINS-UHFFFAOYSA-N 0 0 319.393 3.503 10 0 DHAERN O=C(Nc1nc2c(cccc2F)s1)c1c(F)cccc1F ZINC000004331597 181099574 /nfs/dbraw/zinc/09/95/74/181099574.db2.gz NGXXNQJUKYMCBD-UHFFFAOYSA-N 0 0 308.284 3.966 10 0 DHAERN Cc1ccc(NC(=O)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1 ZINC000073349646 191307419 /nfs/dbraw/zinc/30/74/19/191307419.db2.gz NHLGDVJAOMYFKU-UHFFFAOYSA-N 0 0 312.756 3.951 10 0 DHAERN COC(=O)c1cc(Br)ccc1OCC(C)(C)C ZINC000073711420 191346720 /nfs/dbraw/zinc/34/67/20/191346720.db2.gz NVWYZMLPSXGSBF-UHFFFAOYSA-N 0 0 301.180 3.661 10 0 DHAERN Cc1ccc(NC(=O)c2cccc(F)c2)cc1N1CCCC1=O ZINC000005440679 181243610 /nfs/dbraw/zinc/24/36/10/181243610.db2.gz POQQWARXITUVQF-UHFFFAOYSA-N 0 0 312.344 3.513 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000005652174 181268150 /nfs/dbraw/zinc/26/81/50/181268150.db2.gz AKFMNVGMVVRGEE-JXMROGBWSA-N 0 0 317.414 3.712 10 0 DHAERN Cc1ccc(N2C(=O)S/C(=C\c3ccccc3O)C2=O)cc1 ZINC000005745861 181280393 /nfs/dbraw/zinc/28/03/93/181280393.db2.gz JXWKOOSMHXDVFR-GDNBJRDFSA-N 0 0 311.362 3.942 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000081428237 192261879 /nfs/dbraw/zinc/26/18/79/192261879.db2.gz OFANFPJEIWIGSO-LZQZEXGQSA-N 0 0 315.457 3.799 10 0 DHAERN CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSC1CCCC1 ZINC000005798285 181284831 /nfs/dbraw/zinc/28/48/31/181284831.db2.gz XRIYIJNGPLSRRX-UHFFFAOYSA-N 0 0 309.431 3.667 10 0 DHAERN COc1ccc([C@H]2Cc3cc(OC)c(OC)c(OC)c3C2)cc1 ZINC000005808618 181285556 /nfs/dbraw/zinc/28/55/56/181285556.db2.gz TWOIUJOADBRPFH-ZDUSSCGKSA-N 0 0 314.381 3.603 10 0 DHAERN CCOC(=O)c1ccc(OC[C@H](CC)OC(=O)C(C)(C)C)cc1 ZINC000005923032 181296313 /nfs/dbraw/zinc/29/63/13/181296313.db2.gz IJJFGDLUNHSJCN-AWEZNQCLSA-N 0 0 322.401 3.610 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)/C(Cl)=C\c2ccccc2)cc1 ZINC000006196058 181318489 /nfs/dbraw/zinc/31/84/89/181318489.db2.gz LTEUFFRTTQBNTR-LFIBNONCSA-N 0 0 314.772 3.863 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)Nc2cc(C)ccn2)cc1 ZINC000006594463 181359332 /nfs/dbraw/zinc/35/93/32/181359332.db2.gz CETFOZSWVSZYID-UHFFFAOYSA-N 0 0 311.385 3.771 10 0 DHAERN C[C@@H](NC(=O)Cn1ncc2c1cccc2Cl)c1ccccc1 ZINC000006768270 181385686 /nfs/dbraw/zinc/38/56/86/181385686.db2.gz LXNPBKPKVNQQRF-GFCCVEGCSA-N 0 0 313.788 3.567 10 0 DHAERN F[C@]1(Cl)Oc2cc(Br)ccc2O[C@@]1(F)Cl ZINC000091252153 193027034 /nfs/dbraw/zinc/02/70/34/193027034.db2.gz DEVDQAXVEGUCIT-SFYZADRCSA-N 0 0 319.916 3.945 10 0 DHAERN CCn1c2ccccc2nc1[C@@H](C)NCc1ncc(C)s1 ZINC000091348577 193045195 /nfs/dbraw/zinc/04/51/95/193045195.db2.gz NABTVKYMSFFQPY-GFCCVEGCSA-N 0 0 300.431 3.672 10 0 DHAERN Nc1cc(OCc2ccccc2)nc(OCc2ccccc2)c1 ZINC000091363899 193046071 /nfs/dbraw/zinc/04/60/71/193046071.db2.gz GISGCSSONLOCEI-UHFFFAOYSA-N 0 0 306.365 3.822 10 0 DHAERN CCc1ccc(N)cc1C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000091353250 193046419 /nfs/dbraw/zinc/04/64/19/193046419.db2.gz OTVSQLPMDRWOLE-UHFFFAOYSA-N 0 0 304.434 3.946 10 0 DHAERN O=C(/C=C/c1cccc(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000007215195 181445837 /nfs/dbraw/zinc/44/58/37/181445837.db2.gz BNERPESTCWQUGC-FDMDGMSGSA-N 0 0 313.784 3.993 10 0 DHAERN FC(F)(Oc1ccccc1)C1=NCCN1Cc1ccccc1 ZINC000095930233 193450317 /nfs/dbraw/zinc/45/03/17/193450317.db2.gz QUNIAOKEWGGYNV-UHFFFAOYSA-N 0 0 302.324 3.573 10 0 DHAERN Cc1cc(C)c(C)c(Cn2c3ccccc3nc2CCO)c1C ZINC000008786083 181586706 /nfs/dbraw/zinc/58/67/06/181586706.db2.gz WHOZVSBXKQVYLJ-UHFFFAOYSA-N 0 0 308.425 3.853 10 0 DHAERN CCCCCOc1ccc(C(=O)NC(=S)N[C@H](C)CC)cc1 ZINC000010120647 181657638 /nfs/dbraw/zinc/65/76/38/181657638.db2.gz ABXHIRZUXLPJME-CYBMUJFWSA-N 0 0 322.474 3.658 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](F)[C@@H]2O ZINC000013650624 181873873 /nfs/dbraw/zinc/87/38/73/181873873.db2.gz LNSIGBRLIFKJTK-QMMYDPBZSA-N 0 0 308.437 3.907 10 0 DHAERN CCC(=O)Nc1cccc(OC(=O)c2cccc(Cl)c2)c1 ZINC000014767220 181970297 /nfs/dbraw/zinc/97/02/97/181970297.db2.gz WQWJNKFPABLAKG-UHFFFAOYSA-N 0 0 303.745 3.908 10 0 DHAERN Cc1ccc(N2C(=N)S/C(=C\c3cccc(O)c3)C2=O)cc1 ZINC000015053054 181984779 /nfs/dbraw/zinc/98/47/79/181984779.db2.gz CZEWNFTULXYTJB-UZUODQGYSA-N 0 0 310.378 3.756 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(F)ccc2F)c1 ZINC000015564371 182006848 /nfs/dbraw/zinc/00/68/48/182006848.db2.gz SUYCWAKLFARGIU-FPYGCLRLSA-N 0 0 319.307 3.634 10 0 DHAERN c1ccc(CN2CCc3nc(Nc4ccccc4)ncc3C2)cc1 ZINC000015779268 182016622 /nfs/dbraw/zinc/01/66/22/182016622.db2.gz YBSJYPUZXRFZNO-UHFFFAOYSA-N 0 0 316.408 3.779 10 0 DHAERN CN(Cc1ccccc1I)c1ccccc1 ZINC000016124464 182034951 /nfs/dbraw/zinc/03/49/51/182034951.db2.gz WNBSAKPFBOQMFX-UHFFFAOYSA-N 0 0 323.177 3.928 10 0 DHAERN COc1ccc(Cl)cc1NC(=O)CSc1ccc(N)cc1 ZINC000017056328 182073299 /nfs/dbraw/zinc/07/32/99/182073299.db2.gz NSRMHUDZIKEGQG-UHFFFAOYSA-N 0 0 322.817 3.662 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ccc(Br)o1 ZINC000017963500 182088802 /nfs/dbraw/zinc/08/88/02/182088802.db2.gz WBIWVCDEXWBBPQ-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN C[C@@H]1CCCC[C@@H]1OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019232573 182110151 /nfs/dbraw/zinc/11/01/51/182110151.db2.gz UCAHFSYDTVSSTR-ABAIWWIYSA-N 0 0 310.825 3.846 10 0 DHAERN NC(=S)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000019431260 182123105 /nfs/dbraw/zinc/12/31/05/182123105.db2.gz RWTJJWPNKYAQSP-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1cc(N)ccc1NC(=O)c1cc(Br)ccc1F ZINC000019425806 182122755 /nfs/dbraw/zinc/12/27/55/182122755.db2.gz CSUWAWUQWGBQJE-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN NC(=S)CCOc1ccc2cc(Br)ccc2c1 ZINC000019512528 182126449 /nfs/dbraw/zinc/12/64/49/182126449.db2.gz CTLPTJWWGOHGPH-UHFFFAOYSA-N 0 0 310.216 3.657 10 0 DHAERN Clc1cccc(Cn2ncc3cc(Br)cnc32)c1 ZINC000019509874 182126582 /nfs/dbraw/zinc/12/65/82/182126582.db2.gz IBPXKBXNBRDYDS-UHFFFAOYSA-N 0 0 322.593 3.896 10 0 DHAERN Nc1ccc2[nH]c(-c3cc(Br)ccc3F)nc2c1 ZINC000019484237 182125255 /nfs/dbraw/zinc/12/52/55/182125255.db2.gz LHTIIHARZXDOAZ-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN Cc1cc(Nc2ncccc2C(N)=S)ccc1Br ZINC000019981023 182172950 /nfs/dbraw/zinc/17/29/50/182172950.db2.gz OFPUZGGBIPUTAC-UHFFFAOYSA-N 0 0 322.231 3.530 10 0 DHAERN NC(=S)c1ccccc1Nc1cccc(Br)c1 ZINC000020076888 182184948 /nfs/dbraw/zinc/18/49/48/182184948.db2.gz OHFIQFAXCCRLBT-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN C[C@@H](Nc1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1 ZINC000020308177 182205008 /nfs/dbraw/zinc/20/50/08/182205008.db2.gz KXBXPQANIMVEIF-SNVBAGLBSA-N 0 0 300.324 3.565 10 0 DHAERN O=C1C(=Cc2c[nH]c3ccccc23)NC(=S)N1c1ccccc1 ZINC000020384402 182213777 /nfs/dbraw/zinc/21/37/77/182213777.db2.gz LPUMASDYXGPFNI-YBEGLDIGSA-N 0 0 319.389 3.841 10 0 DHAERN CCc1ccc(-c2csc3ncnc(NC[C@@H](C)O)c23)cc1 ZINC000020321753 182206881 /nfs/dbraw/zinc/20/68/81/182206881.db2.gz KRWNYNXTQPGWEG-LLVKDONJSA-N 0 0 313.426 3.713 10 0 DHAERN Cc1nc2scc(-c3ccc(F)cc3)c2c(NC[C@H](C)O)n1 ZINC000020325730 182207394 /nfs/dbraw/zinc/20/73/94/182207394.db2.gz XIEYFFXXYQPQJT-VIFPVBQESA-N 0 0 317.389 3.599 10 0 DHAERN CCC[C@H](C)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000020369464 182212647 /nfs/dbraw/zinc/21/26/47/182212647.db2.gz IJLCQDXYXURIGJ-HNNXBMFYSA-N 0 0 324.424 3.786 10 0 DHAERN CCCOc1c(Cl)cc(CNCc2ccccn2)cc1OC ZINC000020931687 182255019 /nfs/dbraw/zinc/25/50/19/182255019.db2.gz WBOJVKIWEYESSB-UHFFFAOYSA-N 0 0 320.820 3.822 10 0 DHAERN O=C(c1ccccc1)N(Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000021998063 182303114 /nfs/dbraw/zinc/30/31/14/182303114.db2.gz WWRJHUMSXJRCEN-OALUTQOASA-N 0 0 309.409 3.633 10 0 DHAERN Nc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)c(Cl)c1 ZINC000022000284 182303138 /nfs/dbraw/zinc/30/31/38/182303138.db2.gz DUQYSTOFYBWCDV-ZETCQYMHSA-N 0 0 309.593 3.726 10 0 DHAERN C[C@H](O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053787 182306966 /nfs/dbraw/zinc/30/69/66/182306966.db2.gz NSCGUYORSXNXSZ-HZMBPMFUSA-N 0 0 303.358 3.778 10 0 in-vitro DHAERN C[C@H](NC(=O)c1ccccc1O)c1ccccc1Br ZINC000023526006 182363351 /nfs/dbraw/zinc/36/33/51/182363351.db2.gz LAKKXQZTWISIHY-JTQLQIEISA-N 0 0 320.186 3.646 10 0 DHAERN CCCCCNC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 ZINC000023689974 182366274 /nfs/dbraw/zinc/36/62/74/182366274.db2.gz KPAUIZYWZVOLGW-PKNBQFBNSA-N 0 0 305.418 3.802 10 0 DHAERN Cc1[nH]nc(-c2cccc(Br)c2)c1Br ZINC000035323233 182770716 /nfs/dbraw/zinc/77/07/16/182770716.db2.gz XHALXCOUCULEQD-UHFFFAOYSA-N 0 0 315.996 3.910 10 0 DHAERN Cc1cc(N)ccc1NC(=O)c1ccc(Br)cc1C ZINC000036829253 182845694 /nfs/dbraw/zinc/84/56/94/182845694.db2.gz AQXAZCOAKGAZDB-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CCOC(=O)N1CCC(Nc2ccc3sccc3c2)CC1 ZINC000037282487 182878222 /nfs/dbraw/zinc/87/82/22/182878222.db2.gz GZDPLWJQUVKFLA-UHFFFAOYSA-N 0 0 304.415 3.934 10 0 DHAERN O[C@H]1CCCCC[C@@H]1Nc1cc(Br)ccc1F ZINC000037891798 182934399 /nfs/dbraw/zinc/93/43/99/182934399.db2.gz SPPKZMMBNIMPJO-AAEUAGOBSA-N 0 0 302.187 3.694 10 0 DHAERN CCOC(=O)[C@@](CC)(NCC(F)(F)F)c1cccc(Cl)c1 ZINC000037973745 182946868 /nfs/dbraw/zinc/94/68/68/182946868.db2.gz RUUABQXUFVYUIL-ZDUSSCGKSA-N 0 0 323.742 3.660 10 0 DHAERN COCc1nc2ccccc2n1CCOc1ccc(C)cc1C ZINC000040231996 183048900 /nfs/dbraw/zinc/04/89/00/183048900.db2.gz OTAFXYRORKDKPQ-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN COc1ccccc1NC(=O)Cn1c2ccccc2nc1C1CC1 ZINC000040295914 183053008 /nfs/dbraw/zinc/05/30/08/183053008.db2.gz XNHLFFZXMKBSMW-UHFFFAOYSA-N 0 0 321.380 3.561 10 0 DHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)NC(C)C)cc1 ZINC000040307218 183053357 /nfs/dbraw/zinc/05/33/57/183053357.db2.gz KPLPVFJEDUOVST-UHFFFAOYSA-N 0 0 307.397 3.536 10 0 DHAERN Cc1cc2nc(CCCO)n(CCOc3ccccc3)c2cc1C ZINC000040311049 183053522 /nfs/dbraw/zinc/05/35/22/183053522.db2.gz JDGONUVDQCIOAF-UHFFFAOYSA-N 0 0 324.424 3.657 10 0 DHAERN OCCCn1c2ccc(Cl)cc2nc1Cc1ccccc1 ZINC000040402349 183061309 /nfs/dbraw/zinc/06/13/09/183061309.db2.gz MOABQQRUVFDCOX-UHFFFAOYSA-N 0 0 300.789 3.663 10 0 DHAERN OCCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040402436 183061334 /nfs/dbraw/zinc/06/13/34/183061334.db2.gz YDIDJEYDNDRVER-UHFFFAOYSA-N 0 0 316.788 3.651 10 0 DHAERN Cc1cccc(OCc2nc3cc(Cl)ccc3n2CCO)c1 ZINC000040401083 183061450 /nfs/dbraw/zinc/06/14/50/183061450.db2.gz GUNNGUSXAHEALR-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN CCN(c1ccccc1)c1ncnc(Nc2cccc(C)n2)c1N ZINC000040679389 183116391 /nfs/dbraw/zinc/11/63/91/183116391.db2.gz BGICUSVBZWDKRT-UHFFFAOYSA-N 0 0 320.400 3.664 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Nc3nccs3)c2N)c1 ZINC000040681983 183116984 /nfs/dbraw/zinc/11/69/84/183116984.db2.gz XTEZIHNUWPFCIT-UHFFFAOYSA-N 0 0 312.402 3.619 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3ccc(C)c(C)c3)c2N)c1 ZINC000040701209 183120100 /nfs/dbraw/zinc/12/01/00/183120100.db2.gz JPUCURQATPJHLP-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Nc1c(Nc2ccc(F)cc2F)ncnc1NC1CCCCC1 ZINC000040708736 183120513 /nfs/dbraw/zinc/12/05/13/183120513.db2.gz SMJUCFLZDBRSBO-UHFFFAOYSA-N 0 0 319.359 3.825 10 0 DHAERN Cc1nc(Nc2ncnc(NC3CCCCC3)c2N)sc1C ZINC000040708605 183121068 /nfs/dbraw/zinc/12/10/68/183121068.db2.gz PRCHXXZWSFQXCK-UHFFFAOYSA-N 0 0 318.450 3.620 10 0 DHAERN CC(C)Oc1ncnc(Nc2cc(Cl)ccc2Cl)c1N ZINC000040778295 183132490 /nfs/dbraw/zinc/13/24/90/183132490.db2.gz CQVFYIBLOOPSAT-UHFFFAOYSA-N 0 0 313.188 3.896 10 0 DHAERN CCOc1ncnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040777902 183132520 /nfs/dbraw/zinc/13/25/20/183132520.db2.gz DBMXGVNHFPFDEF-UHFFFAOYSA-N 0 0 321.384 3.623 10 0 DHAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccc(F)cc1F ZINC000040781120 183133241 /nfs/dbraw/zinc/13/32/41/183133241.db2.gz KNTBRZVJDMNMBE-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN Nc1c(Nc2nccs2)ncnc1Nc1ccc(Cl)cc1 ZINC000040780797 183133291 /nfs/dbraw/zinc/13/32/91/183133291.db2.gz HRWLSHHKPQMNAA-UHFFFAOYSA-N 0 0 318.793 3.656 10 0 DHAERN CC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3n2C)cc1 ZINC000040789073 183133819 /nfs/dbraw/zinc/13/38/19/183133819.db2.gz PMDQWWRJHHFYLT-UHFFFAOYSA-N 0 0 310.328 3.772 10 0 DHAERN COc1ccc(Nc2ncnc(Oc3ccccc3)c2N)cc1 ZINC000040782590 183134006 /nfs/dbraw/zinc/13/40/06/183134006.db2.gz JJLVGWGAYKYWLQ-UHFFFAOYSA-N 0 0 308.341 3.603 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2Cl)ncnc1N1CCCC1 ZINC000040724410 183125163 /nfs/dbraw/zinc/12/51/63/183125163.db2.gz ILUGFULWLVPOAP-UHFFFAOYSA-N 0 0 324.215 3.709 10 0 DHAERN CN(c1ccccc1)c1ncnc(Sc2ccccc2)c1N ZINC000040757770 183129526 /nfs/dbraw/zinc/12/95/26/183129526.db2.gz XBYCYZDTCAXEDT-UHFFFAOYSA-N 0 0 308.410 3.978 10 0 DHAERN CCc1ccc(Oc2ncnc(Nc3cccnc3)c2N)cc1 ZINC000040759872 183130339 /nfs/dbraw/zinc/13/03/39/183130339.db2.gz SIMFAZNCFPWEKO-UHFFFAOYSA-N 0 0 307.357 3.552 10 0 DHAERN COc1cc(Cl)c(C)cc1NC(=S)NC(=O)C(C)(C)C ZINC000040897999 183146984 /nfs/dbraw/zinc/14/69/84/183146984.db2.gz HMENAVJCDQPOIF-UHFFFAOYSA-N 0 0 314.838 3.516 10 0 DHAERN CCCc1nnc(NC(=O)/C=C/c2ccccc2OCC)s1 ZINC000040950263 183150567 /nfs/dbraw/zinc/15/05/67/183150567.db2.gz ZJQOXOIJWHAYDZ-ZHACJKMWSA-N 0 0 317.414 3.541 10 0 DHAERN COc1cccc2sc(NCC(=O)c3ccc(C)cc3)nc21 ZINC000040978450 183154751 /nfs/dbraw/zinc/15/47/51/183154751.db2.gz KECTZKQVUPEJMA-UHFFFAOYSA-N 0 0 312.394 3.908 10 0 DHAERN CCCOC(=O)c1cccc(NC(=O)c2cc(C)cc(C)n2)c1 ZINC000041005466 183155843 /nfs/dbraw/zinc/15/58/43/183155843.db2.gz GIXQWPUIJUQCGQ-UHFFFAOYSA-N 0 0 312.369 3.518 10 0 DHAERN O=C(Nc1ccc(Cl)cc1)c1cnc2c(F)cccc2c1O ZINC000041055745 183160254 /nfs/dbraw/zinc/16/02/54/183160254.db2.gz ADCXEWPCAOYLAW-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1ccccn1 ZINC000041057423 183160290 /nfs/dbraw/zinc/16/02/90/183160290.db2.gz YOWUKWGSZRFOLJ-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN O=C(COc1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000041057737 183160871 /nfs/dbraw/zinc/16/08/71/183160871.db2.gz RANTXTFKDOWZFC-UHFFFAOYSA-N 0 0 312.756 3.906 10 0 DHAERN Brc1ccc(CN2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000042251416 183246775 /nfs/dbraw/zinc/24/67/75/183246775.db2.gz PJDSSVRAEPYRGL-LSDHHAIUSA-N 0 0 310.235 3.593 10 0 DHAERN CC(C)C[C@H](C)N(C)CC(=O)c1ccccc1Br ZINC000042586871 183287649 /nfs/dbraw/zinc/28/76/49/183287649.db2.gz WLQWGJCFHPVLCI-LBPRGKRZSA-N 0 0 312.251 3.998 10 0 DHAERN CC[C@@H](NC(=O)c1cc(Br)cn1C(C)C)C(C)C ZINC000042593512 183289596 /nfs/dbraw/zinc/28/95/96/183289596.db2.gz HTBRQVHMUGPDFN-GFCCVEGCSA-N 0 0 315.255 3.996 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000043066785 183333438 /nfs/dbraw/zinc/33/34/38/183333438.db2.gz NQRQBNIUPHJHHE-KBPBESRZSA-N 0 0 315.417 3.761 10 0 DHAERN Cc1nn([C@H](C)c2ccc(Cl)s2)c(N)c1Br ZINC000043668676 183378328 /nfs/dbraw/zinc/37/83/28/183378328.db2.gz GDIHAOUBKMAXDE-ZCFIWIBFSA-N 0 0 320.643 3.860 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000105851448 194146523 /nfs/dbraw/zinc/14/65/23/194146523.db2.gz GPIWZBSOZOXLNZ-KRWDZBQOSA-N 0 0 311.429 3.540 10 0 DHAERN CCCCNC(=O)CNc1cc(Cl)c(Cl)cc1Cl ZINC000049280110 183723637 /nfs/dbraw/zinc/72/36/37/183723637.db2.gz MQIFDYFPUYOJKS-UHFFFAOYSA-N 0 0 309.624 3.975 10 0 DHAERN Cn1c2ccc(F)cc2nc1-c1cc(Br)ccc1N ZINC000050202128 183777816 /nfs/dbraw/zinc/77/78/16/183777816.db2.gz HAVBBUNFVRJCLN-UHFFFAOYSA-N 0 0 320.165 3.724 10 0 DHAERN COC(=O)[C@H](Nc1ccc(Br)cc1)C1CCCC1 ZINC000050272722 183781330 /nfs/dbraw/zinc/78/13/30/183781330.db2.gz RCUQPDMIBOQPTH-CYBMUJFWSA-N 0 0 312.207 3.593 10 0 DHAERN Cc1cc(SCc2cc(Br)cs2)n(C)n1 ZINC000052311536 183857952 /nfs/dbraw/zinc/85/79/52/183857952.db2.gz MPCMEUMVJURLNQ-UHFFFAOYSA-N 0 0 303.250 3.845 10 0 DHAERN Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000053008635 183883611 /nfs/dbraw/zinc/88/36/11/183883611.db2.gz HPGKVMJDFFYMAA-GHMZBOCLSA-N 0 0 303.299 3.985 10 0 DHAERN Nc1ccccc1[C@H](O)CSc1cccc(Br)c1 ZINC000055306983 183978317 /nfs/dbraw/zinc/97/83/17/183978317.db2.gz QFXHDZHMOIFPIG-CQSZACIVSA-N 0 0 324.243 3.857 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3F)n2)cc1 ZINC000057342088 184034370 /nfs/dbraw/zinc/03/43/70/184034370.db2.gz PAYFZDDPMNBZHZ-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN COc1ccc(-c2cc3ccc(N(C)C)cc3c(N)n2)cc1OC ZINC000058575338 184122475 /nfs/dbraw/zinc/12/24/75/184122475.db2.gz IIAOWXKKNHRDQZ-UHFFFAOYSA-N 0 0 323.396 3.567 10 0 DHAERN CCn1ccnc1CNc1cc(Br)ccc1Cl ZINC000061690938 184182813 /nfs/dbraw/zinc/18/28/13/184182813.db2.gz REAFZWRGECJLJQ-UHFFFAOYSA-N 0 0 314.614 3.931 10 0 DHAERN O=C1CCCCC(=O)N1c1cc(Br)ccc1Cl ZINC000061693130 184183520 /nfs/dbraw/zinc/18/35/20/184183520.db2.gz GZUHUMKPFYENJK-UHFFFAOYSA-N 0 0 316.582 3.536 10 0 DHAERN C[C@@H](O)c1ccc(N(C)CC(C)(C)C)c(Br)c1 ZINC000061696878 184183904 /nfs/dbraw/zinc/18/39/04/184183904.db2.gz RZJAPUZSMLLXEK-SNVBAGLBSA-N 0 0 300.240 3.985 10 0 DHAERN Cc1ncc(COc2c(Br)cccc2C=O)s1 ZINC000062336774 184230857 /nfs/dbraw/zinc/23/08/57/184230857.db2.gz BQKKSVQXRWXUTL-UHFFFAOYSA-N 0 0 312.188 3.606 10 0 DHAERN Brc1ccc([C@@H]2CN[C@@H](c3ccccc3)CO2)s1 ZINC000063003339 184266025 /nfs/dbraw/zinc/26/60/25/184266025.db2.gz XHHXKYCCPBJYOZ-NEPJUHHUSA-N 0 0 324.243 3.913 10 0 DHAERN Cc1ccsc1C(=O)N1CCc2cc(-c3ccno3)ccc21 ZINC000065247332 184318114 /nfs/dbraw/zinc/31/81/14/184318114.db2.gz WRACUPJSTJJVSQ-UHFFFAOYSA-N 0 0 310.378 3.914 10 0 DHAERN Clc1nccn2cc(-c3cccc(Br)c3)nc12 ZINC000066054758 184385569 /nfs/dbraw/zinc/38/55/69/184385569.db2.gz JOEXXBHAZGMJGC-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN O=C1c2cc(Br)ccc2CC12Cc1ccccc1C2 ZINC000066054850 184385925 /nfs/dbraw/zinc/38/59/25/184385925.db2.gz DPMGNQWLPQTVPS-UHFFFAOYSA-N 0 0 313.194 3.973 10 0 DHAERN Brc1cccc(/C=C\I)c1 ZINC000066308921 184402198 /nfs/dbraw/zinc/40/21/98/184402198.db2.gz JIVGFMUGTDJRNC-PLNGDYQASA-N 0 0 308.944 3.855 10 0 DHAERN CC(C)c1cccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)c1 ZINC000151605215 196701734 /nfs/dbraw/zinc/70/17/34/196701734.db2.gz RWSKXRNNWQDJLP-UHFFFAOYSA-N 0 0 312.417 3.945 10 0 DHAERN CC(C)(C)OC(=O)NCCN1Sc2ccc(F)cc2S1 ZINC000521400064 257234302 /nfs/dbraw/zinc/23/43/02/257234302.db2.gz XUEKINAKDBCDPQ-UHFFFAOYSA-N 0 0 316.423 3.680 10 0 DHAERN CC(C)c1ccc(NC(=O)N2CCC(c3cc[nH]n3)CC2)cc1 ZINC000151316354 196664663 /nfs/dbraw/zinc/66/46/63/196664663.db2.gz ITKVINXOPWDCGG-UHFFFAOYSA-N 0 0 312.417 3.945 10 0 DHAERN CCO[C@H](C)O[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 ZINC000071789529 184841663 /nfs/dbraw/zinc/84/16/63/184841663.db2.gz PCDGJRXFFZXGQP-IMJJTQAJSA-N 0 0 321.417 3.746 10 0 DHAERN Cc1cc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)sc1Br ZINC000285873721 131206996 /nfs/dbraw/zinc/20/69/96/131206996.db2.gz JDAGXRRFAIECQX-LPEHRKFASA-N 0 0 304.253 3.647 10 0 DHAERN CC[C@H]1CCCCN1C(=O)C1CCN(c2ccccc2F)CC1 ZINC000010342961 134495668 /nfs/dbraw/zinc/49/56/68/134495668.db2.gz RLRJLDYQJUPBEQ-INIZCTEOSA-N 0 0 318.436 3.833 10 0 DHAERN C[C@H](NC(=O)CCN1CCCc2ccccc21)c1ccccc1 ZINC000022197389 134654358 /nfs/dbraw/zinc/65/43/58/134654358.db2.gz FPXIZPCCXSWGIT-INIZCTEOSA-N 0 0 308.425 3.707 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3ccc4cc[nH]c4c3)C2)c1 ZINC000194349458 335067902 /nfs/dbraw/zinc/06/79/02/335067902.db2.gz KRBLPIYIOFGKPH-INIZCTEOSA-N 0 0 323.400 3.542 10 0 DHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@@H]3CCCCO3)o2)cc1 ZINC000299752238 229396689 /nfs/dbraw/zinc/39/66/89/229396689.db2.gz SYQNOQAXXQSMRQ-SOUVJXGZSA-N 0 0 300.358 3.556 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2ccnn2-c2ccccc2)cc1 ZINC000174185457 332846624 /nfs/dbraw/zinc/84/66/24/332846624.db2.gz BVUGURFXOZWBKF-CQSZACIVSA-N 0 0 321.380 3.623 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C)CC2)c(Cl)c1 ZINC000067575993 331459445 /nfs/dbraw/zinc/45/94/45/331459445.db2.gz HBOJIKISRSFFOO-NSHDSACASA-N 0 0 323.824 3.952 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000179596587 331528034 /nfs/dbraw/zinc/52/80/34/331528034.db2.gz OIPNMOMOLRZNFE-OAHLLOKOSA-N 0 0 316.445 3.836 10 0 DHAERN Cc1nnnn1-c1cccc(N[C@H](C)c2ccc(Cl)s2)c1 ZINC000037105751 331537420 /nfs/dbraw/zinc/53/74/20/331537420.db2.gz AEZMKNOZMCGLCZ-SECBINFHSA-N 0 0 319.821 3.859 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000047685820 331591751 /nfs/dbraw/zinc/59/17/51/331591751.db2.gz UPCRGCYXUAQJCI-QWRGUYRKSA-N 0 0 300.349 3.693 10 0 DHAERN CCCNC(=O)[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000036959706 331604969 /nfs/dbraw/zinc/60/49/69/331604969.db2.gz NTWBJRLCTPOQAJ-BDAKNGLRSA-N 0 0 321.223 3.698 10 0 DHAERN O=C(/C=C\c1ccc(Cl)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255375059 331736151 /nfs/dbraw/zinc/73/61/51/331736151.db2.gz MNMHAIYFRCYLMW-VGVVRCBHSA-N 0 0 321.833 3.892 10 0 DHAERN O=C(/C=C\SCc1ccco1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255718425 331792866 /nfs/dbraw/zinc/79/28/66/331792866.db2.gz LHYVMYVKBXZPFG-AJHXJQRKSA-N 0 0 317.414 3.503 10 0 DHAERN COc1ccc([C@@H](C)N[C@@H](C)c2csc(C)n2)cc1OC ZINC000040490988 331934434 /nfs/dbraw/zinc/93/44/34/331934434.db2.gz LHRPQXAXQCBDAX-MNOVXSKESA-N 0 0 306.431 3.881 10 0 DHAERN CCCn1c2ccccc2nc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000091978903 332116280 /nfs/dbraw/zinc/11/62/80/332116280.db2.gz ZRDHNYREBDJMRO-ROUUACIJSA-N 0 0 313.445 3.590 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)CCCCSC)C12CCCC2 ZINC000150795438 332195811 /nfs/dbraw/zinc/19/58/11/332195811.db2.gz QVTVUAZMMADIIR-LSDHHAIUSA-N 0 0 313.507 3.716 10 0 DHAERN COC1(CNC(=O)N[C@@H](C)c2ccc3ccccc3c2)CCC1 ZINC000181499908 332195816 /nfs/dbraw/zinc/19/58/16/332195816.db2.gz DTPKPUXFLKZSBD-AWEZNQCLSA-N 0 0 312.413 3.769 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000181540015 332197570 /nfs/dbraw/zinc/19/75/70/332197570.db2.gz KPWJPWKORZDXJW-GBESFXJTSA-N 0 0 315.457 3.989 10 0 DHAERN CCOC(=O)Cc1cnc(NCCc2ccc(Cl)cc2)s1 ZINC000098181432 332206744 /nfs/dbraw/zinc/20/67/44/332206744.db2.gz VYFLIHQSENEHIP-UHFFFAOYSA-N 0 0 324.833 3.557 10 0 DHAERN COC(=O)c1sc(N[C@@H]2CCOc3ccccc32)nc1Cl ZINC000048738568 332304909 /nfs/dbraw/zinc/30/49/09/332304909.db2.gz JPBCNOONHZYSSO-SECBINFHSA-N 0 0 324.789 3.519 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1CO)C1CCC(c2ccccc2)CC1 ZINC000151010580 332477011 /nfs/dbraw/zinc/47/70/11/332477011.db2.gz XQMBRBLKFLUSBK-CSODTCANSA-N 0 0 315.457 3.628 10 0 DHAERN CCOc1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)cc1 ZINC000226763319 332500603 /nfs/dbraw/zinc/50/06/03/332500603.db2.gz FJPMSOVYYBPVKP-UHFFFAOYSA-N 0 0 304.777 3.882 10 0 DHAERN CC[C@](C)(CCO)NC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000178423383 333011412 /nfs/dbraw/zinc/01/14/12/333011412.db2.gz IIKAPXOELMVTQS-KBXCAEBGSA-N 0 0 306.450 3.721 10 0 DHAERN Cc1ccc2cc(C(=O)N[C@H]3CCOc4ccccc43)ccc2n1 ZINC000178843914 333021123 /nfs/dbraw/zinc/02/11/23/333021123.db2.gz KLGUTGURXAANKD-SFHVURJKSA-N 0 0 318.376 3.797 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)cc1 ZINC000171983747 333056846 /nfs/dbraw/zinc/05/68/46/333056846.db2.gz BOSDGKPCQJLSPV-MJGOQNOKSA-N 0 0 322.408 3.543 10 0 DHAERN Cc1ccccc1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 ZINC000171983680 333056856 /nfs/dbraw/zinc/05/68/56/333056856.db2.gz XDQCATXSFZVRHR-APWZRJJASA-N 0 0 322.408 3.543 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NCc1cnn2ccccc12 ZINC000172340345 333061617 /nfs/dbraw/zinc/06/16/17/333061617.db2.gz QYOZSJZDNCKRPE-AWEZNQCLSA-N 0 0 319.412 3.555 10 0 DHAERN CCn1c(C)nnc1CN[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000178453041 333138967 /nfs/dbraw/zinc/13/89/67/333138967.db2.gz LAUFKZOUTSKCLB-CYBMUJFWSA-N 0 0 300.450 3.755 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000187955472 333154737 /nfs/dbraw/zinc/15/47/37/333154737.db2.gz JBCMZORSAPEROS-LSDHHAIUSA-N 0 0 321.486 3.881 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000187991894 333156091 /nfs/dbraw/zinc/15/60/91/333156091.db2.gz DTZWIWHMEHRCNL-GUYCJALGSA-N 0 0 303.402 3.762 10 0 DHAERN COC(=O)c1occc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000180737635 333165009 /nfs/dbraw/zinc/16/50/09/333165009.db2.gz DIVOXGMUPHAITK-SECBINFHSA-N 0 0 311.740 3.710 10 0 DHAERN C[C@@H](NC(=O)Cc1cncs1)c1ccc(C(C)(C)C)cc1 ZINC000188123161 333241958 /nfs/dbraw/zinc/24/19/58/333241958.db2.gz XVNYWHNKMQBEEC-GFCCVEGCSA-N 0 0 302.443 3.861 10 0 DHAERN CCN1CCC[C@H]([NH2+][C@@H](C)c2sc(C(C)(C)C)nc2C)C1 ZINC000040502969 333353462 /nfs/dbraw/zinc/35/34/62/333353462.db2.gz OZQRVXCWUNBFAF-JSGCOSHPSA-N 0 0 309.523 3.884 10 0 DHAERN Cc1cc(CCNC(=O)N[C@@H](C)c2cccs2)cc(C)c1O ZINC000188481458 333368318 /nfs/dbraw/zinc/36/83/18/333368318.db2.gz RECNXJQQMGNPOE-ZDUSSCGKSA-N 0 0 318.442 3.673 10 0 DHAERN C[C@H](COCc1ccccc1)Nc1nnc(C(F)(F)F)s1 ZINC000186097867 333371689 /nfs/dbraw/zinc/37/16/89/333371689.db2.gz QMAYVFYIRRMVFT-SECBINFHSA-N 0 0 317.336 3.574 10 0 DHAERN C[C@@H]1CCCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186453438 333373760 /nfs/dbraw/zinc/37/37/60/333373760.db2.gz XZSPSMPMFOVXJP-SECBINFHSA-N 0 0 302.201 3.961 10 0 DHAERN Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000063060742 333385051 /nfs/dbraw/zinc/38/50/51/333385051.db2.gz UNRDBBYRXFQOKJ-NEPJUHHUSA-N 0 0 303.299 3.985 10 0 DHAERN CC[C@]1(C)CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 ZINC000187780550 334273234 /nfs/dbraw/zinc/27/32/34/334273234.db2.gz HIDFINXTAQSFQQ-QMTHXVAHSA-N 0 0 316.854 3.673 10 0 DHAERN CC(C)(C)c1nc(CCNc2ccnc(C3CC3)n2)cs1 ZINC000123232637 334727761 /nfs/dbraw/zinc/72/77/61/334727761.db2.gz XUTDAYXDGHHVOH-UHFFFAOYSA-N 0 0 302.447 3.763 10 0 DHAERN Cc1cscc1NC(=O)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000124084986 334743542 /nfs/dbraw/zinc/74/35/42/334743542.db2.gz RVAPKZAQDJQNMD-ZFWWWQNUSA-N 0 0 302.399 3.708 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NCc1ccccc1OC ZINC000127064354 334874346 /nfs/dbraw/zinc/87/43/46/334874346.db2.gz BEVBXLVDWPFRLO-AWEZNQCLSA-N 0 0 309.413 3.916 10 0 DHAERN CO[C@@H](C)CNC(=O)c1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000189270545 334889355 /nfs/dbraw/zinc/88/93/55/334889355.db2.gz XOJUWCKINOPKTB-NSHDSACASA-N 0 0 321.323 3.522 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)CC3CCCC3)C2)n1 ZINC000113204118 335208789 /nfs/dbraw/zinc/20/87/89/335208789.db2.gz RLKHVGYBTCBWAW-AWEZNQCLSA-N 0 0 306.475 3.992 10 0 DHAERN Cc1c(Cl)cncc1NC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C ZINC000333080108 336197817 /nfs/dbraw/zinc/19/78/17/336197817.db2.gz LVADIVXLSUIBKO-MNOVXSKESA-N 0 0 308.809 3.623 10 0 DHAERN Cc1nc2c(nccc2C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)[nH]1 ZINC000333271699 336201000 /nfs/dbraw/zinc/20/10/00/336201000.db2.gz NUTGNTFCJBMWLZ-ZDUSSCGKSA-N 0 0 322.412 3.716 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nc(=O)ccn1C(C)C ZINC000333712900 336208653 /nfs/dbraw/zinc/20/86/53/336208653.db2.gz QFAGIZKNKZPMTO-UHFFFAOYSA-N 0 0 307.419 3.536 10 0 DHAERN CCc1n[nH]c(=O)c(-c2nc3c(s2)C[C@H](C)CC3)c1CC ZINC000333759952 336209645 /nfs/dbraw/zinc/20/96/45/336209645.db2.gz ZNSKZYZNENJKBP-SECBINFHSA-N 0 0 303.431 3.555 10 0 DHAERN CCC(C)(C)NC(=O)N[C@H](C)c1cccc(Br)c1 ZINC000395995195 336257941 /nfs/dbraw/zinc/25/79/41/336257941.db2.gz ISZWIUMKAROLTD-SNVBAGLBSA-N 0 0 313.239 3.998 10 0 DHAERN C[C@@H]1CCCN(c2cc(NCc3cc4ccccc4[nH]3)ncn2)C1 ZINC000301250771 336296813 /nfs/dbraw/zinc/29/68/13/336296813.db2.gz PPWCWMVBAYIZRO-CQSZACIVSA-N 0 0 321.428 3.806 10 0 DHAERN C[C@H]1SCCN(c2nccc(Oc3ccc(F)cc3)n2)[C@H]1C ZINC000301263716 336297523 /nfs/dbraw/zinc/29/75/23/336297523.db2.gz DUVCYKDAGHVMOK-NWDGAFQWSA-N 0 0 319.405 3.738 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)c2cc(Cl)nc(C)n2)C12CCCC2 ZINC000301325220 336300735 /nfs/dbraw/zinc/30/07/35/336300735.db2.gz AHIZRYFSUKITOO-QWHCGFSZSA-N 0 0 309.841 3.612 10 0 DHAERN Clc1cccc([C@@H]2C[C@@H]2Nc2ncc(Br)cn2)c1 ZINC000301379270 336303520 /nfs/dbraw/zinc/30/35/20/336303520.db2.gz XQUCNQPNYQNNQP-RYUDHWBXSA-N 0 0 324.609 3.861 10 0 DHAERN Clc1cccc(-c2noc(N3C[C@@H]4CC=CC[C@H]4C3)n2)c1 ZINC000301403132 336304619 /nfs/dbraw/zinc/30/46/19/336304619.db2.gz DQAGUNPYQBWCGF-STQMWFEESA-N 0 0 301.777 3.792 10 0 DHAERN O=[S@@](CCNc1ccnc2ccsc21)Cc1ccccc1 ZINC000301406082 336304744 /nfs/dbraw/zinc/30/47/44/336304744.db2.gz URWXPRXBFQACBI-NRFANRHFSA-N 0 0 316.451 3.657 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000301451595 336307674 /nfs/dbraw/zinc/30/76/74/336307674.db2.gz QHYMTWZGXSMHLE-KGLIPLIRSA-N 0 0 317.820 3.546 10 0 DHAERN CCS[C@H]1CC[C@@]1(O)CNc1cc2ccccc2c(Cl)n1 ZINC000301489576 336309983 /nfs/dbraw/zinc/30/99/83/336309983.db2.gz LIPGTUUFYBPDJO-XJKSGUPXSA-N 0 0 322.861 3.947 10 0 DHAERN COc1cccc(OCCNc2cc(C(F)(F)F)ccn2)c1 ZINC000301511791 336311586 /nfs/dbraw/zinc/31/15/86/336311586.db2.gz KQWKKBOBOCCMAD-UHFFFAOYSA-N 0 0 312.291 3.600 10 0 DHAERN CCc1cc(=O)[nH]c(-c2ccc(N3CC[C@H]4CCCC[C@@H]43)nc2)n1 ZINC000301563025 336315173 /nfs/dbraw/zinc/31/51/73/336315173.db2.gz JOLYNMSQWGSNHS-CJNGLKHVSA-N 0 0 324.428 3.576 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000301593929 336317099 /nfs/dbraw/zinc/31/70/99/336317099.db2.gz YGDAQHHHFGZVLJ-NNOLRYQLSA-N 0 0 320.380 3.592 10 0 DHAERN CO[C@H](C)c1nc(CN(C)c2cccc(F)c2C(C)=O)cs1 ZINC000301597530 336317355 /nfs/dbraw/zinc/31/73/55/336317355.db2.gz ZWUJVNAFMKEBFS-LLVKDONJSA-N 0 0 322.405 3.829 10 0 DHAERN COc1cccc(CCCNc2c(F)c(F)nc(F)c2F)c1 ZINC000301602918 336317750 /nfs/dbraw/zinc/31/77/50/336317750.db2.gz KQQROHBAYROULX-UHFFFAOYSA-N 0 0 314.282 3.691 10 0 DHAERN CC[C@@H](CNc1nc(COC)ns1)c1ccc(Cl)cc1 ZINC000301706307 336324682 /nfs/dbraw/zinc/32/46/82/336324682.db2.gz SGMOJUVFLSWEQG-JTQLQIEISA-N 0 0 311.838 3.944 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000301792882 336330196 /nfs/dbraw/zinc/33/01/96/336330196.db2.gz RWWPIMYQUABOFA-ZIAGYGMSSA-N 0 0 316.405 3.625 10 0 DHAERN CC[C@@H](Nc1nccc(Oc2ccc(F)cc2)n1)[C@H]1CCCO1 ZINC000301843169 336333563 /nfs/dbraw/zinc/33/35/63/336333563.db2.gz KLJUWKIDHLOZQE-HUUCEWRRSA-N 0 0 317.364 3.778 10 0 DHAERN c1ccc(OC[C@@H]2CCCN(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301853415 336334252 /nfs/dbraw/zinc/33/42/52/336334252.db2.gz CDLDBSJWKYGEMN-OAHLLOKOSA-N 0 0 307.397 3.858 10 0 DHAERN COc1cc(OC)cc([C@H]2CCN(c3nc4ccccc4[nH]3)C2)c1 ZINC000301890991 336336475 /nfs/dbraw/zinc/33/64/75/336336475.db2.gz RDTJVHYEMOGJFR-ZDUSSCGKSA-N 0 0 323.396 3.574 10 0 DHAERN O[C@@H](C[C@@H]1CCCN1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000301897979 336336986 /nfs/dbraw/zinc/33/69/86/336336986.db2.gz WIIYGFPDYDVQJK-YJBOKZPZSA-N 0 0 307.397 3.655 10 0 DHAERN C[C@@H]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)C[C@H]1O ZINC000301947584 336339445 /nfs/dbraw/zinc/33/94/45/336339445.db2.gz AMMFFIOFFKAVCW-LDYMZIIASA-N 0 0 316.348 3.522 10 0 DHAERN Clc1ccccc1-c1nnc(NCC[C@H]2CCCO2)s1 ZINC000302153261 336351247 /nfs/dbraw/zinc/35/12/47/336351247.db2.gz LMVIFLKEJCYDTN-SNVBAGLBSA-N 0 0 309.822 3.840 10 0 DHAERN CC[C@@H](CSC)Nc1nnc(Cc2ccccc2F)s1 ZINC000302171224 336352260 /nfs/dbraw/zinc/35/22/60/336352260.db2.gz PYIQVLLGPCWUBR-NSHDSACASA-N 0 0 311.451 3.822 10 0 DHAERN Fc1ccccc1Cc1nnc(NCC[C@@H]2CCCCO2)s1 ZINC000302195169 336353349 /nfs/dbraw/zinc/35/33/49/336353349.db2.gz XDYIHIARUXYHOG-ZDUSSCGKSA-N 0 0 321.421 3.639 10 0 DHAERN CC(C)Oc1nccnc1N1CC=C(c2cccs2)CC1 ZINC000302225530 336354925 /nfs/dbraw/zinc/35/49/25/336354925.db2.gz OUKHYBRNKPPZTM-UHFFFAOYSA-N 0 0 301.415 3.619 10 0 DHAERN c1ccc(-c2nc(NCc3ccnc(OCC4CC4)c3)no2)cc1 ZINC000302248805 336356204 /nfs/dbraw/zinc/35/62/04/336356204.db2.gz VLKGWBXATPGUFX-UHFFFAOYSA-N 0 0 322.368 3.533 10 0 DHAERN Cc1csc2nc(C)nc(N(C)Cc3cc(Cl)cn3C)c12 ZINC000302261969 336356403 /nfs/dbraw/zinc/35/64/03/336356403.db2.gz CVJLYROZEPZXFG-UHFFFAOYSA-N 0 0 320.849 3.936 10 0 DHAERN Cn1cc(Oc2nc(-c3ccccc3)nc3ccccc32)cn1 ZINC000302299092 336356902 /nfs/dbraw/zinc/35/69/02/336356902.db2.gz MUSSGHWEFQPFFF-UHFFFAOYSA-N 0 0 302.337 3.823 10 0 DHAERN Cn1cc(Oc2ncnc3sc(-c4ccccc4)cc32)cn1 ZINC000302302213 336356975 /nfs/dbraw/zinc/35/69/75/336356975.db2.gz NKJRWPRMCXYHPP-UHFFFAOYSA-N 0 0 308.366 3.884 10 0 DHAERN CC(C)Cc1nsc(N2C[C@H](C)OC[C@H]2c2ccccc2)n1 ZINC000302324054 336357289 /nfs/dbraw/zinc/35/72/89/336357289.db2.gz XIXCXTQMLCRTFV-ZFWWWQNUSA-N 0 0 317.458 3.703 10 0 DHAERN Cc1cc(N(C)Cc2ccccc2OC(F)(F)F)nnc1C ZINC000302340352 336357385 /nfs/dbraw/zinc/35/73/85/336357385.db2.gz WIQINFOMPSJHNZ-UHFFFAOYSA-N 0 0 311.307 3.628 10 0 DHAERN CNc1c(Cl)ncnc1N1CC=C(c2ccccc2F)CC1 ZINC000302567852 336361894 /nfs/dbraw/zinc/36/18/94/336361894.db2.gz PICGZFFCOYFELB-UHFFFAOYSA-N 0 0 318.783 3.605 10 0 DHAERN Clc1cncnc1N[C@@H]1CCc2cc(Br)ccc21 ZINC000302642716 336363235 /nfs/dbraw/zinc/36/32/35/336363235.db2.gz LOZWKRFIQVAVSU-GFCCVEGCSA-N 0 0 324.609 3.992 10 0 DHAERN c1ccc(-c2nc(=NOC[C@H]3CCOC3)c3ccccc3[nH]2)cc1 ZINC000302777060 336368567 /nfs/dbraw/zinc/36/85/67/336368567.db2.gz PDQUZZRMHAWQLF-AWEZNQCLSA-N 0 0 321.380 3.677 10 0 DHAERN CCC[C@]1(COC)CCCN1c1nc(C(F)(F)F)cs1 ZINC000302819707 336370400 /nfs/dbraw/zinc/37/04/00/336370400.db2.gz JIXJDQOXGDQYOV-GFCCVEGCSA-N 0 0 308.369 3.947 10 0 DHAERN O=C(c1ccccc1OC(F)F)N1CCC[C@H]1c1ccco1 ZINC000116043639 336830445 /nfs/dbraw/zinc/83/04/45/336830445.db2.gz KDQQXJHPWFRFGZ-LBPRGKRZSA-N 0 0 307.296 3.858 10 0 DHAERN O=C(COc1ccc(F)cc1Cl)N1CCC[C@@H]1c1ccco1 ZINC000116047894 336830621 /nfs/dbraw/zinc/83/06/21/336830621.db2.gz ULPMOTPIQJZHIA-CYBMUJFWSA-N 0 0 323.751 3.815 10 0 DHAERN CN(Cc1nccs1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119123829 336880567 /nfs/dbraw/zinc/88/05/67/336880567.db2.gz YIKAAWYKKOFRRB-AWEZNQCLSA-N 0 0 319.405 3.501 10 0 DHAERN CCOc1ccccc1CCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000023305849 336921590 /nfs/dbraw/zinc/92/15/90/336921590.db2.gz ASYKVNCTZTZOGA-CQSZACIVSA-N 0 0 301.386 3.797 10 0 DHAERN CCOc1ccccc1CCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000023305847 336921872 /nfs/dbraw/zinc/92/18/72/336921872.db2.gz ASYKVNCTZTZOGA-AWEZNQCLSA-N 0 0 301.386 3.797 10 0 DHAERN COc1ccsc1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121915656 336986526 /nfs/dbraw/zinc/98/65/26/336986526.db2.gz WZAGKKVGTDHLLH-LBPRGKRZSA-N 0 0 317.410 3.789 10 0 DHAERN O=C(Nc1ccc(F)cn1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000122564507 337012932 /nfs/dbraw/zinc/01/29/32/337012932.db2.gz WBJBJRZOIWLUPU-ZDUSSCGKSA-N 0 0 305.740 3.683 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000193852489 337079597 /nfs/dbraw/zinc/07/95/97/337079597.db2.gz DTSSSERTCCLRAN-JFGNBEQYSA-N 0 0 316.228 3.843 10 0 DHAERN C[C@H]1CN(C(=O)N[C@H](c2ccco2)c2ccccc2)CCS1 ZINC000171416691 337087320 /nfs/dbraw/zinc/08/73/20/337087320.db2.gz SNFSCGASHSADPE-BBRMVZONSA-N 0 0 316.426 3.516 10 0 DHAERN CCCCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171454760 337087334 /nfs/dbraw/zinc/08/73/34/337087334.db2.gz ORYOCHGSTJRJKM-GOEBONIOSA-N 0 0 306.454 3.626 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cccc(C(F)F)c1 ZINC000171523492 337087731 /nfs/dbraw/zinc/08/77/31/337087731.db2.gz KMDCLUMXJMBOSP-AWEZNQCLSA-N 0 0 303.308 3.878 10 0 DHAERN CC(C)(C)c1csc([C@@H]2CN([C@H]3C=CCCC3)CCO2)n1 ZINC000171735963 337089060 /nfs/dbraw/zinc/08/90/60/337089060.db2.gz YXWSXBCEWWTQML-KBPBESRZSA-N 0 0 306.475 3.923 10 0 DHAERN O=C(NCCCOc1ccccc1)N1CCC[C@H]1c1ccco1 ZINC000172112820 337089888 /nfs/dbraw/zinc/08/98/88/337089888.db2.gz BZYSKLYKNRRFCD-INIZCTEOSA-N 0 0 314.385 3.595 10 0 DHAERN Cc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)c1 ZINC000171983670 337090690 /nfs/dbraw/zinc/09/06/90/337090690.db2.gz SAAUBVHKTWEBIT-PKOBYXMFSA-N 0 0 322.408 3.543 10 0 DHAERN C[C@H](NC(=O)c1coc2ccccc12)c1ccc2c(c1)OCCO2 ZINC000172001142 337090728 /nfs/dbraw/zinc/09/07/28/337090728.db2.gz UGJBVQGRCRIXNO-LBPRGKRZSA-N 0 0 323.348 3.695 10 0 DHAERN O=C(CCOc1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000172242274 337091467 /nfs/dbraw/zinc/09/14/67/337091467.db2.gz PBJCDPNQGGQFAB-HNNXBMFYSA-N 0 0 303.333 3.551 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593891 337130276 /nfs/dbraw/zinc/13/02/76/337130276.db2.gz IPFKFAHDWDBXMN-WDEREUQCSA-N 0 0 308.328 3.544 10 0 DHAERN CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000172737009 337130711 /nfs/dbraw/zinc/13/07/11/337130711.db2.gz RQQARIGUHNOTEO-GOOCMWNKSA-N 0 0 324.465 3.613 10 0 DHAERN CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172789123 337130993 /nfs/dbraw/zinc/13/09/93/337130993.db2.gz WHLVQVCQOPEPOA-QZTJIDSGSA-N 0 0 307.478 3.866 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879911 337131680 /nfs/dbraw/zinc/13/16/80/337131680.db2.gz BXELQDUPHNHXFC-QWHCGFSZSA-N 0 0 320.820 3.597 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 ZINC000173062809 337131812 /nfs/dbraw/zinc/13/18/12/337131812.db2.gz WKDSUUCIJJFVFN-INIZCTEOSA-N 0 0 314.454 3.709 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC2(CCCC2)C1 ZINC000173757315 337136063 /nfs/dbraw/zinc/13/60/63/337136063.db2.gz AZDBISRXQISGST-ZIAGYGMSSA-N 0 0 305.368 3.861 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000173576168 337136496 /nfs/dbraw/zinc/13/64/96/337136496.db2.gz JNXCCRYJUGIBFO-OAHLLOKOSA-N 0 0 320.481 3.611 10 0 DHAERN C[C@H](N[C@@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631246 337137011 /nfs/dbraw/zinc/13/70/11/337137011.db2.gz HZDRTVXUTPSWKW-RYUDHWBXSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@H](NC(=O)c1ccc(Cl)o1)c1cccc(-n2ccnc2)c1 ZINC000173912143 337137466 /nfs/dbraw/zinc/13/74/66/337137466.db2.gz PAXXPLQWSBEDBH-NSHDSACASA-N 0 0 315.760 3.610 10 0 DHAERN Cc1ccccc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173916048 337137583 /nfs/dbraw/zinc/13/75/83/337137583.db2.gz CZZAOUBGIMPXIM-HNNXBMFYSA-N 0 0 305.381 3.672 10 0 DHAERN C[C@@H](NC(=O)c1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000173922386 337137600 /nfs/dbraw/zinc/13/76/00/337137600.db2.gz CGAWTDGQJSIRRS-CYBMUJFWSA-N 0 0 309.344 3.502 10 0 DHAERN CCO[C@@H](CCNC(=O)N1CCC[C@H]1c1ccco1)C(C)C ZINC000174312109 337142398 /nfs/dbraw/zinc/14/23/98/337142398.db2.gz XEMATDVYOULJSH-GJZGRUSLSA-N 0 0 308.422 3.577 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@H]1CCc2cc(Cl)ccc21 ZINC000174752669 337143464 /nfs/dbraw/zinc/14/34/64/337143464.db2.gz XIFNAWMYKLEXAZ-KRWDZBQOSA-N 0 0 313.784 3.960 10 0 DHAERN Fc1cccc(-c2cnc(CN3CCO[C@H]4CCCC[C@@H]43)o2)c1 ZINC000175102249 337144601 /nfs/dbraw/zinc/14/46/01/337144601.db2.gz LAWGCHXVPJPZRX-HOTGVXAUSA-N 0 0 316.376 3.624 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175998810 337150121 /nfs/dbraw/zinc/15/01/21/337150121.db2.gz IYKVXDRTTPIIIV-HZPDHXFCSA-N 0 0 306.454 3.626 10 0 DHAERN O=C(c1c(Cl)cccc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000176370270 337151069 /nfs/dbraw/zinc/15/10/69/337151069.db2.gz CNOMAJHEOQZEHJ-UHFFFAOYSA-N 0 0 324.211 3.736 10 0 DHAERN COc1csc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1 ZINC000176923191 337153698 /nfs/dbraw/zinc/15/36/98/337153698.db2.gz FYOQLOHPKKFXDG-LLVKDONJSA-N 0 0 322.455 3.541 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000177231049 337154925 /nfs/dbraw/zinc/15/49/25/337154925.db2.gz QRYLVDDYNBZZQS-OAHLLOKOSA-N 0 0 321.465 3.766 10 0 DHAERN Cc1cnc([C@H](C)NCc2cc(F)cc(Br)c2)o1 ZINC000220916290 337167125 /nfs/dbraw/zinc/16/71/25/337167125.db2.gz FBCLJHHWGNDTTD-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)C1=CCCCO1 ZINC000178067924 337160239 /nfs/dbraw/zinc/16/02/39/337160239.db2.gz QMSPNQPRSFLCHO-HNNXBMFYSA-N 0 0 313.397 3.634 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(F)c(Cl)c1 ZINC000178356726 337164126 /nfs/dbraw/zinc/16/41/26/337164126.db2.gz NLESFXQQUVYIFA-AWEZNQCLSA-N 0 0 305.736 3.733 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(Br)c(F)c2)o1 ZINC000220929112 337167086 /nfs/dbraw/zinc/16/70/86/337167086.db2.gz XUPSYUUHGSAJKS-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000178886170 337167414 /nfs/dbraw/zinc/16/74/14/337167414.db2.gz MQVQCRVLQVXDPT-HOTGVXAUSA-N 0 0 317.477 3.825 10 0 DHAERN O=C(c1cnc2ccc(F)cc2c1)N1CCC[C@@H]1c1ccco1 ZINC000179465156 337169646 /nfs/dbraw/zinc/16/96/46/337169646.db2.gz NCYQDANPXHJQPK-MRXNPFEDSA-N 0 0 310.328 3.944 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3cccc(Cl)c3F)C2)c1 ZINC000179544970 337170136 /nfs/dbraw/zinc/17/01/36/337170136.db2.gz CRKUKYIFSDHITN-AWEZNQCLSA-N 0 0 307.800 3.821 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000179868775 337172242 /nfs/dbraw/zinc/17/22/42/337172242.db2.gz HKSGLRUTBWWNAG-OAHLLOKOSA-N 0 0 301.411 3.702 10 0 DHAERN O=C(Nc1ncccc1Cl)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000179959996 337172855 /nfs/dbraw/zinc/17/28/55/337172855.db2.gz PONRIQJVVINWIT-NXEZZACHSA-N 0 0 308.715 3.755 10 0 DHAERN Cc1cc(CN2CCO[C@H](c3nccs3)C2)ccc1Cl ZINC000180427758 337174506 /nfs/dbraw/zinc/17/45/06/337174506.db2.gz XVEJNRLCKGHQCO-AWEZNQCLSA-N 0 0 308.834 3.678 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N(C)c2cccnc2N(C)C)CC(C)(C)C1 ZINC000180971502 337178879 /nfs/dbraw/zinc/17/88/79/337178879.db2.gz UYKWKGPSCSHFBB-KGLIPLIRSA-N 0 0 303.450 3.573 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC(C)(C)C1 ZINC000180971543 337178896 /nfs/dbraw/zinc/17/88/96/337178896.db2.gz UYKWKGPSCSHFBB-ZIAGYGMSSA-N 0 0 303.450 3.573 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccsc1)[C@@H](C)C2 ZINC000180960481 337178942 /nfs/dbraw/zinc/17/89/42/337178942.db2.gz DRYYHDBOLVQIAQ-BLLLJJGKSA-N 0 0 300.427 3.789 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3[C@H](C)COC[C@@H]3C)s2)o1 ZINC000181062518 337179638 /nfs/dbraw/zinc/17/96/38/337179638.db2.gz MTSGSAZKUDXVNU-PHIMTYICSA-N 0 0 305.399 3.566 10 0 DHAERN COCc1ccsc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000181516609 337182719 /nfs/dbraw/zinc/18/27/19/337182719.db2.gz JTHSTFOPXWBTFJ-GFCCVEGCSA-N 0 0 322.455 3.718 10 0 DHAERN COCCC1(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)CCC1 ZINC000182215544 337187400 /nfs/dbraw/zinc/18/74/00/337187400.db2.gz PJMOUYBHEVSEPO-WMLDXEAASA-N 0 0 301.430 3.551 10 0 DHAERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)c1C ZINC000182209685 337187414 /nfs/dbraw/zinc/18/74/14/337187414.db2.gz KGIAEAVIBSSWRI-BBATYDOGSA-N 0 0 324.424 3.806 10 0 DHAERN CC(=O)Nc1ccc(CNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC000182790278 337189928 /nfs/dbraw/zinc/18/99/28/337189928.db2.gz KNZWXWDCXVGZJF-CJNGLKHVSA-N 0 0 316.445 3.724 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)CC(C)(C)C1 ZINC000182897382 337190665 /nfs/dbraw/zinc/19/06/65/337190665.db2.gz HSEHOJZPZYHPIZ-ZYHUDNBSSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(C)(C)C1 ZINC000183702293 337193050 /nfs/dbraw/zinc/19/30/50/337193050.db2.gz XXUAHEGYWYSUSO-NWDGAFQWSA-N 0 0 316.401 3.532 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCO[C@H](c3nccs3)C2)CC(C)(C)C1 ZINC000183751269 337193267 /nfs/dbraw/zinc/19/32/67/337193267.db2.gz HTBJHLIPMKNYTP-RDBSUJKOSA-N 0 0 322.474 3.505 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC(C)(C)C1 ZINC000183886140 337195188 /nfs/dbraw/zinc/19/51/88/337195188.db2.gz ZOQQCESPTCHYIJ-DZGCQCFKSA-N 0 0 303.450 3.578 10 0 DHAERN Cc1nccn1CCCN(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184250022 337197536 /nfs/dbraw/zinc/19/75/36/337197536.db2.gz SXRXAGLVIYLDIK-ZBFHGGJFSA-N 0 0 305.466 3.502 10 0 DHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000184668545 337199796 /nfs/dbraw/zinc/19/97/96/337199796.db2.gz HGBZCCPRPGOVHA-DJIMGWMZSA-N 0 0 317.429 3.612 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2cccc(C)c2Br)o1 ZINC000226616568 337200004 /nfs/dbraw/zinc/20/00/04/337200004.db2.gz CZWQCKGHNXPYAD-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2ccc(C)c(Br)c2)o1 ZINC000226617138 337200028 /nfs/dbraw/zinc/20/00/28/337200028.db2.gz JFNYUBWLGXRHLA-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN Cc1nnc(C(=O)N[C@H](C)c2ccc(CC(C)C)cc2)s1 ZINC000185322751 337205170 /nfs/dbraw/zinc/20/51/70/337205170.db2.gz ANNKKEONCMKBFX-LLVKDONJSA-N 0 0 303.431 3.536 10 0 DHAERN CCSc1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000186220341 337254870 /nfs/dbraw/zinc/25/48/70/337254870.db2.gz WYVGNZDAWVAWTJ-UHFFFAOYSA-N 0 0 315.486 3.907 10 0 DHAERN CCC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739035 337269679 /nfs/dbraw/zinc/26/96/79/337269679.db2.gz XCFADBHWMRSOBT-TZMCWYRMSA-N 0 0 304.463 3.868 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000188802503 337275397 /nfs/dbraw/zinc/27/53/97/337275397.db2.gz ZASFVYLYZKIEQN-ZDUSSCGKSA-N 0 0 317.429 3.756 10 0 DHAERN CC[C@H](NC(=O)c1ncccc1Br)c1ccccc1 ZINC000231763039 337278106 /nfs/dbraw/zinc/27/81/06/337278106.db2.gz VWRHICRQLHZUQX-ZDUSSCGKSA-N 0 0 319.202 3.725 10 0 DHAERN C[C@H]1CN(C(=O)C2(Cc3ccccc3Cl)CC2)CCS1 ZINC000189708644 337281344 /nfs/dbraw/zinc/28/13/44/337281344.db2.gz YLHREQOCKWTEGK-LBPRGKRZSA-N 0 0 309.862 3.627 10 0 DHAERN C[C@@H]1CN(C(=O)C2(Cc3ccccc3Cl)CC2)CCS1 ZINC000189708629 337281401 /nfs/dbraw/zinc/28/14/01/337281401.db2.gz YLHREQOCKWTEGK-GFCCVEGCSA-N 0 0 309.862 3.627 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000190776657 337290674 /nfs/dbraw/zinc/29/06/74/337290674.db2.gz BFFQSYDFTLIZJF-RDDDGLTNSA-N 0 0 304.173 3.508 10 0 DHAERN CCCn1ccc2cc(NC(=O)[C@@H]3CCCO[C@@H]3C)ccc21 ZINC000190805496 337291069 /nfs/dbraw/zinc/29/10/69/337291069.db2.gz RSUUMUPUTRGBMV-CZUORRHYSA-N 0 0 300.402 3.805 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000191879357 337300773 /nfs/dbraw/zinc/30/07/73/337300773.db2.gz JNMBLUPKBBQZQC-AWEZNQCLSA-N 0 0 322.474 3.553 10 0 DHAERN COc1ccccc1[C@@H](C)NC(=O)c1ccoc1Br ZINC000234881587 337305822 /nfs/dbraw/zinc/30/58/22/337305822.db2.gz ZEUFJAGFOHQZGW-SECBINFHSA-N 0 0 324.174 3.542 10 0 DHAERN COC(=O)[C@@H]1CCCC[C@H]1c1nc(C)sc1Br ZINC000584600426 337370690 /nfs/dbraw/zinc/37/06/90/337370690.db2.gz MIQOAIMWYBOCOF-RKDXNWHRSA-N 0 0 318.236 3.661 10 0 DHAERN CCCC(=O)/N=c1\scc(-c2ccccc2)n1C(=O)CCC ZINC000584600496 337370771 /nfs/dbraw/zinc/37/07/71/337370771.db2.gz IOZHQJXASXPTSU-ZCXUNETKSA-N 0 0 316.426 3.884 10 0 DHAERN CCc1cc(C(=O)N2CCC[C@H](c3ccccc3OC)C2)ccn1 ZINC000584605073 337371394 /nfs/dbraw/zinc/37/13/94/337371394.db2.gz LBKOZRVVIYIJLA-INIZCTEOSA-N 0 0 324.424 3.672 10 0 DHAERN CCc1cc(C(=O)N2CCC[C@H](c3ccc(C)cc3)C2)ccn1 ZINC000584605151 337371497 /nfs/dbraw/zinc/37/14/97/337371497.db2.gz YTPLRFHHFXIWLO-SFHVURJKSA-N 0 0 308.425 3.972 10 0 DHAERN CN(C)c1cc(C(=O)N2CCCC[C@H](c3ccccc3)C2)ccn1 ZINC000584606553 337371651 /nfs/dbraw/zinc/37/16/51/337371651.db2.gz YZNMXVANJWHHTB-SFHVURJKSA-N 0 0 323.440 3.558 10 0 DHAERN CCOC(=O)C[C@@H](O)Cc1ccc(C2=CCCCCC2)cc1 ZINC000584594805 337373805 /nfs/dbraw/zinc/37/38/05/337373805.db2.gz YFGRZHMJYYKNEQ-SFHVURJKSA-N 0 0 302.414 3.891 10 0 DHAERN O=C(Oc1ccccc1)N1CC[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000584620848 337374787 /nfs/dbraw/zinc/37/47/87/337374787.db2.gz GJZSCQYYDVDQNI-NVXWUHKLSA-N 0 0 315.344 3.523 10 0 DHAERN C=Cc1c(Br)c(F)cc2ccc(=O)n(C3CC3)c21 ZINC000584621534 337374902 /nfs/dbraw/zinc/37/49/02/337374902.db2.gz WFTYDCQFVOSHRW-UHFFFAOYSA-N 0 0 308.150 3.881 10 0 DHAERN C[C@@](O)(c1c[nH]c2cc(Br)ccc21)C(F)(F)F ZINC000584623144 337375225 /nfs/dbraw/zinc/37/52/25/337375225.db2.gz DDNMKQFSHFCFEY-SNVBAGLBSA-N 0 0 308.097 3.700 10 0 DHAERN C=Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)c(F)c2ccccc12 ZINC000584626069 337375910 /nfs/dbraw/zinc/37/59/10/337375910.db2.gz IVWWEBRGFFNBGW-IRXDYDNUSA-N 0 0 313.372 3.655 10 0 DHAERN CSc1c(I)c2ccccc2n1C ZINC000584631976 337377097 /nfs/dbraw/zinc/37/70/97/337377097.db2.gz GEYMPYFXGZSFLT-UHFFFAOYSA-N 0 0 303.168 3.505 10 0 DHAERN COc1ccc2c(c1)C[C@@H](C)NN=C2c1ccc(Cl)cc1 ZINC000584632382 337377246 /nfs/dbraw/zinc/37/72/46/337377246.db2.gz CRQZDBRFTULYOP-LLVKDONJSA-N 0 0 300.789 3.635 10 0 DHAERN O=c1[nH]c(C(F)(F)F)cc(O)c1-c1ccc(Cl)cc1F ZINC000584661977 337378435 /nfs/dbraw/zinc/37/84/35/337378435.db2.gz OTYQUBVDJSFROV-UHFFFAOYSA-N 0 0 307.630 3.971 10 0 DHAERN O=C1CCCc2nc(N[C@H]3CCc4ccc(Cl)cc43)ncc21 ZINC000584637198 337379408 /nfs/dbraw/zinc/37/94/08/337379408.db2.gz LASLPFRQUSVFGY-HNNXBMFYSA-N 0 0 313.788 3.748 10 0 DHAERN Clc1ccc(Oc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000584637637 337379519 /nfs/dbraw/zinc/37/95/19/337379519.db2.gz RNOCCDCMHNBGFK-UHFFFAOYSA-N 0 0 307.140 3.966 10 0 DHAERN C[C@H]1CC2(Cc3ccc(Br)cc3C2=O)C[C@H](C)C1O ZINC000584641283 337380104 /nfs/dbraw/zinc/38/01/04/337380104.db2.gz DCJMZPCUBKRAFJ-DDURGBQBSA-N 0 0 323.230 3.601 10 0 DHAERN CC(C)(C)OC(=O)N[C@H](CO)c1cc(F)c(Cl)c(Cl)c1 ZINC000584644096 337380258 /nfs/dbraw/zinc/38/02/58/337380258.db2.gz SSQNMBKPWITMEP-SNVBAGLBSA-N 0 0 324.179 3.691 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC000105850734 337386866 /nfs/dbraw/zinc/38/68/66/337386866.db2.gz VUPVTDQWXNHWHC-INIZCTEOSA-N 0 0 303.450 3.671 10 0 DHAERN Cc1csc([C@@H]2CCCN(c3ccnc(C(C)C)n3)C2)n1 ZINC000110411052 337389110 /nfs/dbraw/zinc/38/91/10/337389110.db2.gz VWECEZAATDOTPE-CYBMUJFWSA-N 0 0 302.447 3.749 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CCCc2nc3ccccc3[nH]2)o1 ZINC000029260341 337389150 /nfs/dbraw/zinc/38/91/50/337389150.db2.gz RJFNHDVAFVDOIV-ZDUSSCGKSA-N 0 0 311.385 3.664 10 0 DHAERN CCC[C@@H](CC1CCCC1)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116111353 337392351 /nfs/dbraw/zinc/39/23/51/337392351.db2.gz SHVUYIUNFOYDFL-IRXDYDNUSA-N 0 0 317.477 3.733 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)c1ccccc1 ZINC000124261117 337404450 /nfs/dbraw/zinc/40/44/50/337404450.db2.gz ANJGVEOYIAUVHZ-CXAGYDPISA-N 0 0 311.429 3.504 10 0 DHAERN O=C(NCc1cccs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000125427452 337411709 /nfs/dbraw/zinc/41/17/09/337411709.db2.gz ZACFTHGCBNCRQZ-HNNXBMFYSA-N 0 0 304.390 3.764 10 0 DHAERN O=C(Cc1ccc2ccccc2c1)N1CCC(c2cc[nH]n2)CC1 ZINC000125606429 337412883 /nfs/dbraw/zinc/41/28/83/337412883.db2.gz CYYJPCPUHLFQIC-UHFFFAOYSA-N 0 0 319.408 3.512 10 0 DHAERN O=C(Cc1cc(F)c(F)cc1F)N1CCC[C@H]1c1ccco1 ZINC000126282974 337416102 /nfs/dbraw/zinc/41/61/02/337416102.db2.gz ODBDOOJAFWOZMY-AWEZNQCLSA-N 0 0 309.287 3.603 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cc(C(C)=O)c[nH]2)o1 ZINC000129443760 337429564 /nfs/dbraw/zinc/42/95/64/337429564.db2.gz OMSLZMVWCOHENB-MRXNPFEDSA-N 0 0 314.385 3.740 10 0 DHAERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892718 337434988 /nfs/dbraw/zinc/43/49/88/337434988.db2.gz XXFKVMFKIINOHR-IAQYHMDHSA-N 0 0 320.387 3.695 10 0 DHAERN CCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1cccs1 ZINC000048880502 337435986 /nfs/dbraw/zinc/43/59/86/337435986.db2.gz WRBFMBYPDBHKNS-LBPRGKRZSA-N 0 0 316.426 3.517 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)O1 ZINC000131627532 337438389 /nfs/dbraw/zinc/43/83/89/337438389.db2.gz YTVNEOQUWOGJIX-ABAIWWIYSA-N 0 0 316.332 3.519 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)N[C@H](C)CC(C)C)C2)n1 ZINC000133349399 337445116 /nfs/dbraw/zinc/44/51/16/337445116.db2.gz KXKQYUMMMUKQPT-OCCSQVGLSA-N 0 0 309.479 3.775 10 0 DHAERN COCCOc1ccccc1NC(=O)N[C@@H](C)c1cccs1 ZINC000057477814 337457939 /nfs/dbraw/zinc/45/79/39/337457939.db2.gz KMUDNOOQLRNVLC-LBPRGKRZSA-N 0 0 320.414 3.656 10 0 DHAERN O=C(Cc1cccs1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062078834 337459912 /nfs/dbraw/zinc/45/99/12/337459912.db2.gz LGORUPXIIPCRNI-OAHLLOKOSA-N 0 0 315.438 3.608 10 0 DHAERN O=C(CCc1ccc(F)cc1)N1CCC(c2nccs2)CC1 ZINC000062450281 337460165 /nfs/dbraw/zinc/46/01/65/337460165.db2.gz SCGTYESRAZRYEB-UHFFFAOYSA-N 0 0 318.417 3.621 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCc3cccnc32)cc1F ZINC000194658956 337462990 /nfs/dbraw/zinc/46/29/90/337462990.db2.gz NVAWVVOJVHIXNE-BBRMVZONSA-N 0 0 312.388 3.826 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCc3cccnc32)cc1F ZINC000194658925 337463041 /nfs/dbraw/zinc/46/30/41/337463041.db2.gz NVAWVVOJVHIXNE-XJKSGUPXSA-N 0 0 312.388 3.826 10 0 DHAERN O=C(Nc1ccccc1OC(F)F)N[C@H]1COc2ccccc21 ZINC000194718390 337463397 /nfs/dbraw/zinc/46/33/97/337463397.db2.gz UNEIXVZVAQGWJI-LBPRGKRZSA-N 0 0 320.295 3.543 10 0 DHAERN O=C(Nc1ccc2ncsc2c1)N[C@H]1COc2ccccc21 ZINC000194732085 337463524 /nfs/dbraw/zinc/46/35/24/337463524.db2.gz TYMNRKTYRDAZDO-ZDUSSCGKSA-N 0 0 311.366 3.552 10 0 DHAERN Cn1c(CNc2ccc3c4c(cccc42)CC3)nnc1C1CC1 ZINC000194986749 337464547 /nfs/dbraw/zinc/46/45/47/337464547.db2.gz GWSNMAQUXXLANO-UHFFFAOYSA-N 0 0 304.397 3.556 10 0 DHAERN c1coc(-c2noc(CN3CCCC[C@H]3c3nccs3)n2)c1 ZINC000195360949 337466088 /nfs/dbraw/zinc/46/60/88/337466088.db2.gz UEOUNUWGFNOSRX-NSHDSACASA-N 0 0 316.386 3.513 10 0 DHAERN C[C@H](Oc1cccnc1)C(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000246264090 337525459 /nfs/dbraw/zinc/52/54/59/337525459.db2.gz AJXHTMZZYHHEDR-DEYYWGMASA-N 0 0 310.397 3.604 10 0 DHAERN COc1ccc([C@H](C)NC(=O)NCC2(C)CCCC2)cc1OC ZINC000066596841 337542705 /nfs/dbraw/zinc/54/27/05/337542705.db2.gz ZBRUKGKDDDJGOS-ZDUSSCGKSA-N 0 0 320.433 3.644 10 0 DHAERN C[C@H]1Sc2ccccc2N(C(=O)[C@H]2CCCO[C@H]2C)[C@@H]1C ZINC000248789752 337567432 /nfs/dbraw/zinc/56/74/32/337567432.db2.gz NGZKZDWLSFBHKH-RQJABVFESA-N 0 0 305.443 3.717 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)o1 ZINC000249557376 337570695 /nfs/dbraw/zinc/57/06/95/337570695.db2.gz MDYUGZDUYDNDIP-ILXRZTDVSA-N 0 0 300.402 3.505 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)o1 ZINC000249589315 337570787 /nfs/dbraw/zinc/57/07/87/337570787.db2.gz OVNNVEOIMRQPAB-PJGLDBICSA-N 0 0 306.450 3.568 10 0 DHAERN Cc1nc(Cc2noc([C@@H]3C[C@@H]3c3ccc(C(C)C)cc3)n2)no1 ZINC000077967861 337587247 /nfs/dbraw/zinc/58/72/47/337587247.db2.gz NNORKKUFFUQDSO-HUUCEWRRSA-N 0 0 324.384 3.746 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(C)nc3C)C2)cc1 ZINC000078188251 337592332 /nfs/dbraw/zinc/59/23/32/337592332.db2.gz MSRLRSBZOIABDP-YOEHRIQHSA-N 0 0 324.424 3.725 10 0 DHAERN Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)c2cc(N)ccc2C)cc1 ZINC000262333788 337616951 /nfs/dbraw/zinc/61/69/51/337616951.db2.gz FTKOHFFGFYQORM-OALUTQOASA-N 0 0 324.424 3.536 10 0 DHAERN C[C@@H]1CCc2nc(NC(=O)c3ccc(N)cc3Cl)sc2C1 ZINC000262685729 337620565 /nfs/dbraw/zinc/62/05/65/337620565.db2.gz YJVSQSVPVAXWQL-MRVPVSSYSA-N 0 0 321.833 3.756 10 0 DHAERN C[C@@H](NC(=O)Nc1cccc(OC2CCCC2)c1)[C@H]1CCCO1 ZINC000044202863 337808588 /nfs/dbraw/zinc/80/85/88/337808588.db2.gz UXCKRCSYJKWIIY-CXAGYDPISA-N 0 0 318.417 3.697 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2O)o1 ZINC000044491056 337809943 /nfs/dbraw/zinc/80/99/43/337809943.db2.gz NEPDTOADMLQIRK-VIFPVBQESA-N 0 0 324.174 3.547 10 0 DHAERN Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000045414112 337823766 /nfs/dbraw/zinc/82/37/66/337823766.db2.gz MKEMAIPMSIBGOF-GFCCVEGCSA-N 0 0 313.445 3.825 10 0 DHAERN CCCN(CC(F)F)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000119186861 337855019 /nfs/dbraw/zinc/85/50/19/337855019.db2.gz YMCFPHLALLVPHV-AWEZNQCLSA-N 0 0 314.351 3.890 10 0 DHAERN COc1cccc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1OC ZINC000119532043 337860513 /nfs/dbraw/zinc/86/05/13/337860513.db2.gz NBHPBCXAGBXGPX-LBPRGKRZSA-N 0 0 317.360 3.642 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)N[C@@H](COC)C2CC2)o1 ZINC000120173460 337871185 /nfs/dbraw/zinc/87/11/85/337871185.db2.gz VCSOEFUPWMRYTL-JKSUJKDBSA-N 0 0 320.433 3.504 10 0 DHAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)c1cc2ccccc2o1 ZINC000058577206 337876657 /nfs/dbraw/zinc/87/66/57/337876657.db2.gz CTIWKTIGHPXFQF-WFASDCNBSA-N 0 0 322.364 3.927 10 0 DHAERN O=C(CSCC(F)(F)F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000090141816 337878165 /nfs/dbraw/zinc/87/81/65/337878165.db2.gz LVIVOIDUHJFYFK-SFYZADRCSA-N 0 0 323.302 3.519 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)C[C@@H](O)c2ccccc2)c1 ZINC000091171606 337890176 /nfs/dbraw/zinc/89/01/76/337890176.db2.gz FYJADUXDKYEPJF-RBUKOAKNSA-N 0 0 309.409 3.782 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCC(=O)C(C)(C)C)cc1 ZINC000121873124 337900235 /nfs/dbraw/zinc/90/02/35/337900235.db2.gz CHJPGHJLFWODSZ-CVEARBPZSA-N 0 0 301.430 3.645 10 0 DHAERN Cc1c(C(=O)N[C@H]2CCCc3cc(F)ccc32)cnn1C(C)C ZINC000092572961 337905882 /nfs/dbraw/zinc/90/58/82/337905882.db2.gz JKEJYXYQBMZNAL-KRWDZBQOSA-N 0 0 315.392 3.719 10 0 DHAERN CCSc1ccc(Cl)cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000084166971 338001160 /nfs/dbraw/zinc/00/11/60/338001160.db2.gz SZOPDNRSLOVPAO-QWRGUYRKSA-N 0 0 313.850 3.701 10 0 DHAERN C[C@H](Oc1ccccc1NCc1ncnn1C)c1ccccc1 ZINC000086208632 338013566 /nfs/dbraw/zinc/01/35/66/338013566.db2.gz KVUTVMCHVBWBEI-AWEZNQCLSA-N 0 0 308.385 3.567 10 0 DHAERN Cc1c(C(=O)N[C@@H]2CCCC[C@@H]2CO)sc2cccc(F)c12 ZINC000151000468 338156458 /nfs/dbraw/zinc/15/64/58/338156458.db2.gz QRABJKONKMQXDY-DGCLKSJQSA-N 0 0 321.417 3.630 10 0 DHAERN C[C@H](NC(=O)NCC1CCOCC1)c1ccc(C(C)(C)C)cc1 ZINC000194836959 338764645 /nfs/dbraw/zinc/76/46/45/338764645.db2.gz KKSPREZRSOEVGZ-AWEZNQCLSA-N 0 0 318.461 3.771 10 0 DHAERN C[C@H](NC(=O)C(C)(C)C(F)F)c1cccc(Br)c1 ZINC000470797736 339328471 /nfs/dbraw/zinc/32/84/71/339328471.db2.gz PRLZTZDJKXCXSQ-QMMMGPOBSA-N 0 0 320.177 3.918 10 0 DHAERN COc1ccc(COc2cccc(Br)c2CO)cc1 ZINC000504230111 340143472 /nfs/dbraw/zinc/14/34/72/340143472.db2.gz NNBFRRGHIIOKPQ-UHFFFAOYSA-N 0 0 323.186 3.529 10 0 DHAERN COc1ccc2c(c1)N(C(=O)c1ccc3cc[nH]c3c1)C[C@@H](C)O2 ZINC000172715821 340338344 /nfs/dbraw/zinc/33/83/44/340338344.db2.gz DIQMEMACQACAFT-GFCCVEGCSA-N 0 0 322.364 3.604 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)COCc2ccccc2)sc1C ZINC000172967166 340350445 /nfs/dbraw/zinc/35/04/45/340350445.db2.gz VANMFPMJTKJJCL-CYBMUJFWSA-N 0 0 303.427 3.700 10 0 DHAERN Cc1ccccc1C1(C(=O)N[C@H](C)COCc2ccccc2)CC1 ZINC000172974350 340350869 /nfs/dbraw/zinc/35/08/69/340350869.db2.gz ROIILXKNENOTNJ-QGZVFWFLSA-N 0 0 323.436 3.748 10 0 DHAERN CC(C)(C)[C@H](O)COc1cc(Br)ccc1Cl ZINC000304233938 340361784 /nfs/dbraw/zinc/36/17/84/340361784.db2.gz LQAHDPFKMZRZFK-LLVKDONJSA-N 0 0 307.615 3.888 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@H]3CCCC[C@@H]3C)C2)n1 ZINC000173320065 340362266 /nfs/dbraw/zinc/36/22/66/340362266.db2.gz TVLKLFIVGIGIPW-CFVMTHIKSA-N 0 0 321.490 3.919 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCCCOC(C)C)o1 ZINC000173322174 340362428 /nfs/dbraw/zinc/36/24/28/340362428.db2.gz KRSAQSCMEGRPLA-MRXNPFEDSA-N 0 0 322.449 3.894 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(C(C)C)nn2C)o1 ZINC000173466956 340365612 /nfs/dbraw/zinc/36/56/12/340365612.db2.gz WNYDPHLWLLNWBZ-OAHLLOKOSA-N 0 0 315.417 3.812 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)NCCCOCC(C)C)o1 ZINC000173549872 340367416 /nfs/dbraw/zinc/36/74/16/340367416.db2.gz VLBOSDOOZXZAPK-MRXNPFEDSA-N 0 0 322.449 3.887 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000173979229 340379135 /nfs/dbraw/zinc/37/91/35/340379135.db2.gz UAKJYVVBBSPZNA-BPUTZDHNSA-N 0 0 320.433 3.646 10 0 DHAERN c1ccc(CCCNC2(c3noc(C4CC4)n3)CCCC2)cc1 ZINC000174245027 340384792 /nfs/dbraw/zinc/38/47/92/340384792.db2.gz GBDGOXXEUXFGJK-UHFFFAOYSA-N 0 0 311.429 3.939 10 0 DHAERN CCSCC[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000174534158 340391141 /nfs/dbraw/zinc/39/11/41/340391141.db2.gz AMPVNTGJKISYBG-GHMZBOCLSA-N 0 0 316.417 3.857 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCC(C)(C)C[C@H](C)O)cc1 ZINC000174554202 340391424 /nfs/dbraw/zinc/39/14/24/340391424.db2.gz QNGSRONABFKUAX-LSDHHAIUSA-N 0 0 320.477 3.967 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000174748932 340395616 /nfs/dbraw/zinc/39/56/16/340395616.db2.gz OIJXIFFCOLXPSY-GFCCVEGCSA-N 0 0 320.339 3.692 10 0 DHAERN C[C@H](NC(=O)N1Cc2ccccc2C[C@@H]1C)c1cccs1 ZINC000174821991 340396869 /nfs/dbraw/zinc/39/68/69/340396869.db2.gz GZIBFVJZRJFFTA-STQMWFEESA-N 0 0 300.427 3.966 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@](C)(O)[C@@H](C)c1ccccc1 ZINC000174896774 340398774 /nfs/dbraw/zinc/39/87/74/340398774.db2.gz JOKASQOWWJZFRD-FTRWYGJKSA-N 0 0 311.425 3.727 10 0 DHAERN COc1cccc(F)c1[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000175336441 340409670 /nfs/dbraw/zinc/40/96/70/340409670.db2.gz XMJDTWQRYGJBMN-NWDGAFQWSA-N 0 0 320.364 3.857 10 0 DHAERN C[C@H](NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1cccs1 ZINC000175911696 340423251 /nfs/dbraw/zinc/42/32/51/340423251.db2.gz AGJOVSCMKFKGKK-LBPRGKRZSA-N 0 0 324.405 3.798 10 0 DHAERN CCc1nc(CCNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cs1 ZINC000183704860 340488705 /nfs/dbraw/zinc/48/87/05/340488705.db2.gz XLKACUONFNELMW-QWHCGFSZSA-N 0 0 308.491 3.827 10 0 DHAERN COc1ccc(F)cc1CC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000185178131 340498661 /nfs/dbraw/zinc/49/86/61/340498661.db2.gz HKNLEPBRAKWORO-NSHDSACASA-N 0 0 321.779 3.908 10 0 DHAERN CCC[C@@H](N[C@H](C)c1sc(C)nc1C)C(=O)OC(C)(C)C ZINC000185266292 340499491 /nfs/dbraw/zinc/49/94/91/340499491.db2.gz QONVVMDZUIEWKL-DGCLKSJQSA-N 0 0 312.479 3.921 10 0 DHAERN C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2cccc(F)c2O1 ZINC000185594016 340503233 /nfs/dbraw/zinc/50/32/33/340503233.db2.gz GDJJHDNLFWCSRJ-LLVKDONJSA-N 0 0 310.328 3.735 10 0 DHAERN CCc1ccc(C2=CCN(C(=O)[C@H]3CCCO[C@@H]3C)CC2)cc1 ZINC000189961664 340541423 /nfs/dbraw/zinc/54/14/23/340541423.db2.gz BTMCNTZOZFYFCV-BEFAXECRSA-N 0 0 313.441 3.680 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000190006886 340541795 /nfs/dbraw/zinc/54/17/95/340541795.db2.gz YWYROLRWGZNTMK-NUEKZKHPSA-N 0 0 321.848 3.689 10 0 DHAERN O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@H]1CO ZINC000223619120 340546656 /nfs/dbraw/zinc/54/66/56/340546656.db2.gz YJKNPICMKWRMEE-TVQRCGJNSA-N 0 0 317.216 3.666 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC(C)(C)c1ccccc1Cl ZINC000191164622 340550713 /nfs/dbraw/zinc/55/07/13/340550713.db2.gz IMLXCVRDOLEDOO-STQMWFEESA-N 0 0 309.837 3.549 10 0 DHAERN CCc1c(NC(=O)N[C@H]2C[C@H]2C)cnn1-c1ccccc1Cl ZINC000191590070 340556267 /nfs/dbraw/zinc/55/62/67/340556267.db2.gz BHYJGWOLXRQGCZ-PWSUYJOCSA-N 0 0 318.808 3.618 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000191954092 340560368 /nfs/dbraw/zinc/56/03/68/340560368.db2.gz DQEKVTBXWSIHRZ-XJKSGUPXSA-N 0 0 307.409 3.768 10 0 DHAERN C[C@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(Cl)s1 ZINC000192293478 340565790 /nfs/dbraw/zinc/56/57/90/340565790.db2.gz VOAOCHFJWLVXPN-UWVGGRQHSA-N 0 0 318.895 3.857 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)Nc2cnns2)cc1 ZINC000192367055 340566557 /nfs/dbraw/zinc/56/65/57/340566557.db2.gz KBIODIKYAWWQEX-NSHDSACASA-N 0 0 304.419 3.619 10 0 DHAERN C[C@H](NC(=O)NCCCOc1ccc(F)cc1)c1cccs1 ZINC000195174833 340575596 /nfs/dbraw/zinc/57/55/96/340575596.db2.gz YYRRRTFLHMZRNQ-LBPRGKRZSA-N 0 0 322.405 3.717 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)CC(=O)N3C)CC(C)(C)C1 ZINC000194627797 340594040 /nfs/dbraw/zinc/59/40/40/340594040.db2.gz UVEZWYWOUTYVLV-OCCSQVGLSA-N 0 0 314.429 3.606 10 0 DHAERN C[C@H](NC(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1cccs1 ZINC000194672806 340594745 /nfs/dbraw/zinc/59/47/45/340594745.db2.gz JTFIEBBMYXKNFN-UWVGGRQHSA-N 0 0 311.353 3.671 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000230042859 340617737 /nfs/dbraw/zinc/61/77/37/340617737.db2.gz ZYQOGJMTVGUBJY-RISCZKNCSA-N 0 0 310.235 3.844 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)N(C)Cc1cc(Br)cs1 ZINC000230055644 340617916 /nfs/dbraw/zinc/61/79/16/340617916.db2.gz MVTVSANLSYBBIE-CABZTGNLSA-N 0 0 316.264 3.905 10 0 DHAERN CC(C)(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000041109388 340709486 /nfs/dbraw/zinc/70/94/86/340709486.db2.gz CSRPBPUMYWQDCY-IRXDYDNUSA-N 0 0 301.430 3.524 10 0 DHAERN CC(C)(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000041109389 340709492 /nfs/dbraw/zinc/70/94/92/340709492.db2.gz CSRPBPUMYWQDCY-DLBZAZTESA-N 0 0 301.430 3.524 10 0 DHAERN CSCCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000124035188 340796849 /nfs/dbraw/zinc/79/68/49/340796849.db2.gz SSSGMEBDEKFJGZ-SECBINFHSA-N 0 0 322.257 3.630 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CC3CCC(C)(C)CC3)C2)c1 ZINC000126787532 340834205 /nfs/dbraw/zinc/83/42/05/340834205.db2.gz MPDCLHXAVZYGID-QGZVFWFLSA-N 0 0 317.477 3.962 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)N1CCc2cc(Br)ccc21 ZINC000542223967 341001063 /nfs/dbraw/zinc/00/10/63/341001063.db2.gz GGPFQRKXVGHXFD-MFKMUULPSA-N 0 0 308.219 3.774 10 0 DHAERN C[C@H](NC(=O)NCC(C)(C)CCO)c1ccc(C(C)(C)C)cc1 ZINC000073777619 341121179 /nfs/dbraw/zinc/12/11/79/341121179.db2.gz SQQFWZRZKWPGME-AWEZNQCLSA-N 0 0 320.477 3.753 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000133030949 341152209 /nfs/dbraw/zinc/15/22/09/341152209.db2.gz IIKXKHYVUVEOOY-QWRGUYRKSA-N 0 0 306.312 3.566 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc3ccccn3n2)cc1 ZINC000133208388 341162619 /nfs/dbraw/zinc/16/26/19/341162619.db2.gz VDKNNPYEZAYKEM-HOTGVXAUSA-N 0 0 320.396 3.595 10 0 DHAERN CCn1cc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cn1 ZINC000076059658 341198446 /nfs/dbraw/zinc/19/84/46/341198446.db2.gz DJSGBHPUFBJEQN-IHWZXDPASA-N 0 0 316.449 3.629 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NC[C@H](C)SC)o1 ZINC000133958662 341202812 /nfs/dbraw/zinc/20/28/12/341202812.db2.gz JJAIEQWGOAFOQU-GXTWGEPZSA-N 0 0 310.463 3.830 10 0 DHAERN C[C@H]1CN(Cc2ccc(Br)cc2F)CCS1 ZINC000134344093 341213582 /nfs/dbraw/zinc/21/35/82/341213582.db2.gz CXIIOJVYKWXBCD-VIFPVBQESA-N 0 0 304.228 3.526 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2cccc(O)c2)cc1 ZINC000077613687 341227423 /nfs/dbraw/zinc/22/74/23/341227423.db2.gz AISORZHAWIDGTN-WOJBJXKFSA-N 0 0 323.436 3.978 10 0 DHAERN CSC[C@@H](C)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000077800895 341230860 /nfs/dbraw/zinc/23/08/60/341230860.db2.gz BPUSSHUUWJZQQT-OLZOCXBDSA-N 0 0 302.443 3.952 10 0 DHAERN CCOc1ccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000078491047 341242985 /nfs/dbraw/zinc/24/29/85/341242985.db2.gz QFOKYDSTRPPBTA-QWHCGFSZSA-N 0 0 315.335 3.936 10 0 DHAERN Cc1cc2cc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)oc2cc1C ZINC000079614319 341261987 /nfs/dbraw/zinc/26/19/87/341261987.db2.gz LFNRDEBSQKEHAG-JKSUJKDBSA-N 0 0 313.397 3.833 10 0 DHAERN CC(C)n1nnnc1CN(C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000245475763 341296094 /nfs/dbraw/zinc/29/60/94/341296094.db2.gz SFLRCHAZJRIZRD-STQMWFEESA-N 0 0 321.856 3.531 10 0 DHAERN CCN(CC(C)(C)O)C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000081969505 341312048 /nfs/dbraw/zinc/31/20/48/341312048.db2.gz BYJGJCHMOZOMNH-DLBZAZTESA-N 0 0 303.446 3.533 10 0 DHAERN CC[C@@H]1C[C@@H](C(=O)N[C@H](C)c2ccc(Cl)s2)CCO1 ZINC000245785841 341314655 /nfs/dbraw/zinc/31/46/55/341314655.db2.gz ZLVQSTCYCYNSOZ-OUAUKWLOSA-N 0 0 301.839 3.784 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)s1 ZINC000138533097 341314762 /nfs/dbraw/zinc/31/47/62/341314762.db2.gz NWVOEVLWIVFDDZ-NSHDSACASA-N 0 0 307.440 3.958 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2CCO)c2ccccc21 ZINC000245871901 341316903 /nfs/dbraw/zinc/31/69/03/341316903.db2.gz JOPGABFQHRWJPS-RVKKMQEKSA-N 0 0 316.445 3.572 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2)O1 ZINC000246088322 341325053 /nfs/dbraw/zinc/32/50/53/341325053.db2.gz UWFPLCOGKUBYDK-ATZDWAIDSA-N 0 0 309.409 3.654 10 0 DHAERN CC1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C(C)(C)O1 ZINC000246088318 341325099 /nfs/dbraw/zinc/32/50/99/341325099.db2.gz IXBRZXWHPLAYQW-ZOWXZIJZSA-N 0 0 323.383 3.531 10 0 DHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[C@H](C)O1 ZINC000246093511 341325198 /nfs/dbraw/zinc/32/51/98/341325198.db2.gz VMWXJKAXARKHNA-ISTVAULSSA-N 0 0 316.228 3.608 10 0 DHAERN CCS[C@@H]1CC[C@@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000246387142 341346646 /nfs/dbraw/zinc/34/66/46/341346646.db2.gz KIBXYGKRLUUXOW-MGPQQGTHSA-N 0 0 310.463 3.965 10 0 DHAERN COC[C@H](C)CNC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000139285265 341347188 /nfs/dbraw/zinc/34/71/88/341347188.db2.gz SYFAEUOHVHBRSL-ZJUUUORDSA-N 0 0 319.232 3.636 10 0 DHAERN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000139578620 341354519 /nfs/dbraw/zinc/35/45/19/341354519.db2.gz ASAKOTSVGFCUGD-LBPRGKRZSA-N 0 0 317.410 3.597 10 0 DHAERN CC(=O)N[C@@H]1CCCN([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657725 341355244 /nfs/dbraw/zinc/35/52/44/341355244.db2.gz KOIJMYIVJIYLKW-ZWNOBZJWSA-N 0 0 315.244 3.655 10 0 DHAERN CC(=O)N[C@@H]1CCCN([C@@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000246657702 341355263 /nfs/dbraw/zinc/35/52/63/341355263.db2.gz KOIJMYIVJIYLKW-GXFFZTMASA-N 0 0 315.244 3.655 10 0 DHAERN C[C@H](CCc1cccn1C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246692717 341355823 /nfs/dbraw/zinc/35/58/23/341355823.db2.gz BXGFFXBRTMGINH-FHLIZLRMSA-N 0 0 302.462 3.679 10 0 DHAERN COC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000246900887 341358395 /nfs/dbraw/zinc/35/83/95/341358395.db2.gz HDBJJZILFMBHCU-AYOQOUSVSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCCO1 ZINC000248231020 341374882 /nfs/dbraw/zinc/37/48/82/341374882.db2.gz BPAOZOQSLGXJJH-BXUZGUMPSA-N 0 0 319.788 3.897 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@H]2CO)CC(C)(C)C1 ZINC000248535943 341379319 /nfs/dbraw/zinc/37/93/19/341379319.db2.gz KRPCRCXWCVFVLG-UWWQBHOKSA-N 0 0 315.457 3.567 10 0 DHAERN CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000249298180 341396158 /nfs/dbraw/zinc/39/61/58/341396158.db2.gz CGVLYFKNGZQBNK-CGTJXYLNSA-N 0 0 303.446 3.719 10 0 DHAERN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000249659308 341400134 /nfs/dbraw/zinc/40/01/34/341400134.db2.gz WDSVZGXIPWWSRF-CGTJXYLNSA-N 0 0 303.446 3.590 10 0 DHAERN Cc1cccc(CNC(=O)N[C@H]2c3ccccc3CCC2(C)C)n1 ZINC000153611452 341575723 /nfs/dbraw/zinc/57/57/23/341575723.db2.gz MCUQNGNNOAZSSG-SFHVURJKSA-N 0 0 323.440 3.903 10 0 DHAERN CC[C@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000155659322 341610883 /nfs/dbraw/zinc/61/08/83/341610883.db2.gz MVMWWQDSMCWBIW-GXTWGEPZSA-N 0 0 314.351 3.602 10 0 DHAERN C[C@@H](N[C@H](C)c1cc(Cl)sc1Cl)c1ncn(C)n1 ZINC000275624533 341651742 /nfs/dbraw/zinc/65/17/42/341651742.db2.gz AIPYPJIQYKDDFO-RNFRBKRXSA-N 0 0 305.234 3.595 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc(OC3CCCC3)cc2)CCS1 ZINC000171369656 341776277 /nfs/dbraw/zinc/77/62/77/341776277.db2.gz AWWOXDWVVZBNOU-ZDUSSCGKSA-N 0 0 320.458 3.977 10 0 DHAERN Cc1c2cc(F)ccc2sc1C(=O)N1CCS[C@@H](C)C1 ZINC000171566726 341780599 /nfs/dbraw/zinc/78/05/99/341780599.db2.gz FQWHOWYRFMKVDR-VIFPVBQESA-N 0 0 309.431 3.926 10 0 DHAERN CC[C@H](NC(=O)N1CCC[C@H](C(F)(F)F)C1)c1nccs1 ZINC000172617277 341802340 /nfs/dbraw/zinc/80/23/40/341802340.db2.gz QKSUSZBLOXTYBC-UWVGGRQHSA-N 0 0 321.368 3.578 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1CC1 ZINC000178465681 341955552 /nfs/dbraw/zinc/95/55/52/341955552.db2.gz GYXXVGRKJKBFCB-XJKSGUPXSA-N 0 0 314.429 3.921 10 0 DHAERN Brc1cncc(NC[C@H]2CCOc3ccccc32)c1 ZINC000301407941 517301763 /nfs/dbraw/zinc/30/17/63/517301763.db2.gz WAKBLRQZNUCJOS-LLVKDONJSA-N 0 0 319.202 3.822 10 0 DHAERN C=Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000185284642 519306909 /nfs/dbraw/zinc/30/69/09/519306909.db2.gz VMYFFUSBMCNKPL-OAHLLOKOSA-N 0 0 311.385 3.813 10 0 DHAERN CC(C)C[C@H](C)NC(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000133390704 519312292 /nfs/dbraw/zinc/31/22/92/519312292.db2.gz GPFMPVVNMLMMCC-JQHSSLGASA-N 0 0 318.461 3.719 10 0 DHAERN CC(C)N(CC(F)F)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000161874945 519638936 /nfs/dbraw/zinc/63/89/36/519638936.db2.gz VTDFTXVVEXPOGO-QWRGUYRKSA-N 0 0 303.299 3.570 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccs1 ZINC000112858800 519813018 /nfs/dbraw/zinc/81/30/18/519813018.db2.gz ZCWCAGZUQGDDMI-LBPRGKRZSA-N 0 0 316.426 3.775 10 0 DHAERN CC(C)c1cc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)n[nH]1 ZINC000109093836 519833436 /nfs/dbraw/zinc/83/34/36/519833436.db2.gz FCYUJQRWBCWMDK-WDEREUQCSA-N 0 0 305.328 3.554 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)C2CCOCC2)cc1 ZINC000136085507 519839603 /nfs/dbraw/zinc/83/96/03/519839603.db2.gz DTQHFIZPERCTFO-ZOCIIQOWSA-N 0 0 315.457 3.845 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NCCc2ccccn2)cc1 ZINC000128230103 519840367 /nfs/dbraw/zinc/84/03/67/519840367.db2.gz QVEHGBLWZVICHD-RTBURBONSA-N 0 0 308.425 3.667 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)N(C)C(C)C)C2)n1 ZINC000190796220 519856934 /nfs/dbraw/zinc/85/69/34/519856934.db2.gz JPZPXYMXKLVHIH-CYBMUJFWSA-N 0 0 309.479 3.906 10 0 DHAERN CC(C)c1nnc(CN[C@@H](C)c2cccc3ccccc32)n1C ZINC000181668012 519887950 /nfs/dbraw/zinc/88/79/50/519887950.db2.gz OAWHBMTVJMNGPM-AWEZNQCLSA-N 0 0 308.429 3.943 10 0 DHAERN CC(C)n1ncc2cc(CN3CCS[C@@H](C)C3)c(Cl)nc21 ZINC000131324098 520082642 /nfs/dbraw/zinc/08/26/42/520082642.db2.gz IEJKTCIRVMPFQL-NSHDSACASA-N 0 0 324.881 3.603 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CCc1cscn1 ZINC000179268445 520415728 /nfs/dbraw/zinc/41/57/28/520415728.db2.gz NFORPQSCHFQPAU-QGZVFWFLSA-N 0 0 314.454 3.906 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1Cc1nccn1C(F)F ZINC000170779200 520511037 /nfs/dbraw/zinc/51/10/37/520511037.db2.gz PHPMZAQFXYGNDJ-AWEZNQCLSA-N 0 0 321.371 3.630 10 0 DHAERN CCOc1cc(C)ccc1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000157746550 520677283 /nfs/dbraw/zinc/67/72/83/520677283.db2.gz SZJDOBHPQSLGEW-AWEZNQCLSA-N 0 0 316.401 3.856 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000182303563 520878968 /nfs/dbraw/zinc/87/89/68/520878968.db2.gz ODHXAHINGDINMV-JFIYKMOQSA-N 0 0 301.430 3.776 10 0 DHAERN CCCc1nc(CN[C@@H](C)c2ccc(OC)c(OC)c2)cs1 ZINC000180831333 521515360 /nfs/dbraw/zinc/51/53/60/521515360.db2.gz OKPIDUSOKSUKNB-LBPRGKRZSA-N 0 0 320.458 3.964 10 0 DHAERN CCOC(=O)c1cnc2ccc(C(=O)OC(C)C)cc2c1Cl ZINC000026463008 521576574 /nfs/dbraw/zinc/57/65/74/521576574.db2.gz NQZWYMLVEQUBGZ-UHFFFAOYSA-N 0 0 321.760 3.630 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC(C)(C)C)C2)n1 ZINC000172254780 522114497 /nfs/dbraw/zinc/11/44/97/522114497.db2.gz DQBQVUQGBUGVIE-GFCCVEGCSA-N 0 0 309.479 3.641 10 0 DHAERN CCc1nc(CN[C@H](C)c2ccc(OCC(C)C)cc2)no1 ZINC000181400872 522352884 /nfs/dbraw/zinc/35/28/84/522352884.db2.gz CNCBUQPSCAUYPY-CYBMUJFWSA-N 0 0 303.406 3.518 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccccc1F ZINC000180744571 522513829 /nfs/dbraw/zinc/51/38/29/522513829.db2.gz VSKZSWPCVDUGDR-CABCVRRESA-N 0 0 302.397 3.555 10 0 DHAERN CCc1ncc(NC(=O)N2CCCC[C@H]2c2ccc(C)o2)cn1 ZINC000119748992 522566234 /nfs/dbraw/zinc/56/62/34/522566234.db2.gz LHHJDWMOJHAOCK-AWEZNQCLSA-N 0 0 314.389 3.700 10 0 DHAERN COc1cc(F)c(NC(=O)N2CCC[C@@H]2c2ccco2)cc1F ZINC000156258655 522575649 /nfs/dbraw/zinc/57/56/49/522575649.db2.gz WEFMRQOBYFRRMI-CYBMUJFWSA-N 0 0 322.311 3.935 10 0 DHAERN CCc1ncsc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127919461 522622193 /nfs/dbraw/zinc/62/21/93/522622193.db2.gz OWUPCWXDJGFMEQ-IUCAKERBSA-N 0 0 306.353 3.556 10 0 DHAERN CN(CCC1CC1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000122601519 522701387 /nfs/dbraw/zinc/70/13/87/522701387.db2.gz UOPPZYAAKVCAIM-OAHLLOKOSA-N 0 0 302.418 3.730 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000179902990 522903947 /nfs/dbraw/zinc/90/39/47/522903947.db2.gz NZZCGORLQQGFSF-UHFFFAOYSA-N 0 0 311.381 3.758 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2cccc(C)c2Cl)CC1 ZINC000180299763 522905501 /nfs/dbraw/zinc/90/55/01/522905501.db2.gz FCNFETGGDCCACJ-UHFFFAOYSA-N 0 0 309.793 3.566 10 0 DHAERN CCc1noc([C@@H](C)N[C@H](C)c2ccccc2Br)n1 ZINC000114745607 522906846 /nfs/dbraw/zinc/90/68/46/522906846.db2.gz PADKMRJFVCUEEJ-NXEZZACHSA-N 0 0 324.222 3.806 10 0 DHAERN COCC1=CCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000185716827 522917409 /nfs/dbraw/zinc/91/74/09/522917409.db2.gz KHPSNDBKAIVUAO-KBXCAEBGSA-N 0 0 314.429 3.613 10 0 DHAERN CC[C@@H](c1nnc(NC(=O)N[C@@H]2C[C@@H]2C)s1)c1ccccc1 ZINC000106952622 523131728 /nfs/dbraw/zinc/13/17/28/523131728.db2.gz CVOYAFGYUAXVBP-CYZMBNFOSA-N 0 0 316.430 3.610 10 0 DHAERN CCn1c(C)nnc1COc1cccc(-c2nc(C)cs2)c1 ZINC000180371771 523156028 /nfs/dbraw/zinc/15/60/28/523156028.db2.gz ZRTBQWUIMZUSLK-UHFFFAOYSA-N 0 0 314.414 3.617 10 0 DHAERN CCc1c2ccccc2oc1[C@H](C)N[C@H]1CCCn2ncnc21 ZINC000181870353 523731360 /nfs/dbraw/zinc/73/13/60/523731360.db2.gz FSBPKWWSVLPIBX-WFASDCNBSA-N 0 0 310.401 3.772 10 0 DHAERN CCc1c2ccccc2oc1[C@@H](C)N[C@@H]1CCCn2ncnc21 ZINC000181870301 523732678 /nfs/dbraw/zinc/73/26/78/523732678.db2.gz FSBPKWWSVLPIBX-IUODEOHRSA-N 0 0 310.401 3.772 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cnc(C)s2)o1 ZINC000172669387 524035689 /nfs/dbraw/zinc/03/56/89/524035689.db2.gz ZXBOLKLJJNAHOH-ZDUSSCGKSA-N 0 0 304.415 3.974 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(Br)c2Cl)O1 ZINC000338514930 524336820 /nfs/dbraw/zinc/33/68/20/524336820.db2.gz QUJKJOCJNZAASZ-XVKPBYJWSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)O1 ZINC000157126208 524553954 /nfs/dbraw/zinc/55/39/54/524553954.db2.gz UJOKFNGZQXGRFW-SKDRFNHKSA-N 0 0 303.736 3.506 10 0 DHAERN C[C@H](C[C@@H](O)c1cccs1)NC(=O)N[C@@H](C)c1cccs1 ZINC000178922738 524620974 /nfs/dbraw/zinc/62/09/74/524620974.db2.gz XFKCXOJNIYNBSV-GRYCIOLGSA-N 0 0 324.471 3.682 10 0 DHAERN Cc1cccc(NCc2cccnc2OCc2ccccc2)n1 ZINC000157111970 524686827 /nfs/dbraw/zinc/68/68/27/524686827.db2.gz WNVCLKXUQSUBFP-UHFFFAOYSA-N 0 0 305.381 3.976 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)CCc2cscn2)c2ccccc21 ZINC000179284002 524689228 /nfs/dbraw/zinc/68/92/28/524689228.db2.gz FYBSUTZFKOAJGF-WBMJQRKESA-N 0 0 300.427 3.831 10 0 DHAERN C[C@H](NC(=O)CCc1ccncn1)c1ccc(C(C)(C)C)cc1 ZINC000192320835 524941766 /nfs/dbraw/zinc/94/17/66/524941766.db2.gz UJWAAFVEOYMBLJ-AWEZNQCLSA-N 0 0 311.429 3.584 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180609762 524990618 /nfs/dbraw/zinc/99/06/18/524990618.db2.gz DFHFOSGTGHFTEJ-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180609778 524990953 /nfs/dbraw/zinc/99/09/53/524990953.db2.gz DFHFOSGTGHFTEJ-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(Cl)c1 ZINC000151771221 525144647 /nfs/dbraw/zinc/14/46/47/525144647.db2.gz CYRBGIMAQIRYRD-SUMWQHHRSA-N 0 0 322.836 3.807 10 0 DHAERN Cc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(Cl)c1 ZINC000151771101 525145480 /nfs/dbraw/zinc/14/54/80/525145480.db2.gz CYRBGIMAQIRYRD-CXAGYDPISA-N 0 0 322.836 3.807 10 0 DHAERN C[C@@H](NC(=O)N(C)CCc1cccs1)c1ccc(F)c(F)c1 ZINC000174534093 525149176 /nfs/dbraw/zinc/14/91/76/525149176.db2.gz NKEAOOGHCKNTQE-LLVKDONJSA-N 0 0 324.396 3.971 10 0 DHAERN Cc1ccccc1N[C@@H](C)CC(=O)Nc1cccnc1Cl ZINC000182533949 525273828 /nfs/dbraw/zinc/27/38/28/525273828.db2.gz ZZZZMQFGSIWMJV-LBPRGKRZSA-N 0 0 303.793 3.873 10 0 DHAERN C[C@H](NCc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1 ZINC000105607477 525486952 /nfs/dbraw/zinc/48/69/52/525486952.db2.gz NAJTZIKBEAOHIX-JTQLQIEISA-N 0 0 303.749 3.834 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190461467 525557474 /nfs/dbraw/zinc/55/74/74/525557474.db2.gz BGFJAKCSRXKCLX-WPRPVWTQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000191630334 525558626 /nfs/dbraw/zinc/55/86/26/525558626.db2.gz AAHYZAYSEHQQSZ-SUMWQHHRSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(SC(F)F)cc1 ZINC000190175875 525558827 /nfs/dbraw/zinc/55/88/27/525558827.db2.gz FPXQUBUXINTXGB-JOYOIKCWSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1CC(F)(F)F ZINC000188200471 525558929 /nfs/dbraw/zinc/55/89/29/525558929.db2.gz DXBLRRBUKOIAGN-CMPLNLGQSA-N 0 0 301.308 3.545 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N(C)CCOCc2ccccc2)o1 ZINC000157740797 525699783 /nfs/dbraw/zinc/69/97/83/525699783.db2.gz RHNQAUYKFOAEMJ-OAHLLOKOSA-N 0 0 316.401 3.507 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)c2ncc(C)s2)o1 ZINC000183001513 525707686 /nfs/dbraw/zinc/70/76/86/525707686.db2.gz APWFPGJSLPUCIY-JOYOIKCWSA-N 0 0 307.419 3.517 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)c2nc(Cc3ccccc3)no2)o1 ZINC000182599080 525746766 /nfs/dbraw/zinc/74/67/66/525746766.db2.gz RKDPNGOMOSYZNK-ZIAGYGMSSA-N 0 0 311.385 3.974 10 0 DHAERN Cc1ccncc1NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000221745779 525762942 /nfs/dbraw/zinc/76/29/42/525762942.db2.gz JAFDBBJRXAVPCC-GOOCMWNKSA-N 0 0 317.433 3.732 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2[nH]nc3ccccc32)o1 ZINC000129223963 525799802 /nfs/dbraw/zinc/79/98/02/525799802.db2.gz FLNNTNICYDOCJI-KRWDZBQOSA-N 0 0 323.396 3.761 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188895192 525986037 /nfs/dbraw/zinc/98/60/37/525986037.db2.gz KKADFVLFRIUGNC-ZYHUDNBSSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H](Sc1ccccc1)C(=O)N1CCCc2c(N)cccc21 ZINC000237361189 525990279 /nfs/dbraw/zinc/99/02/79/525990279.db2.gz KMPQRUZJMPFMHS-CYBMUJFWSA-N 0 0 312.438 3.729 10 0 DHAERN CSc1ccc(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000157304293 526032241 /nfs/dbraw/zinc/03/22/41/526032241.db2.gz WKSSDNIBBOLRRV-GUYCJALGSA-N 0 0 320.458 3.567 10 0 DHAERN Cc1cnc([C@@H](C)CNC(=O)N[C@H](C)c2cccs2)s1 ZINC000182890124 526108876 /nfs/dbraw/zinc/10/88/76/526108876.db2.gz MBDAIXDHBJNHIN-GXSJLCMTSA-N 0 0 309.460 3.677 10 0 DHAERN Cc1cnc([C@H](C)CNC(=O)N[C@H](C)c2cccs2)s1 ZINC000182890144 526140570 /nfs/dbraw/zinc/14/05/70/526140570.db2.gz MBDAIXDHBJNHIN-MWLCHTKSSA-N 0 0 309.460 3.677 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cscn1)[C@H](C)C2 ZINC000181919087 526202097 /nfs/dbraw/zinc/20/20/97/526202097.db2.gz JWQAUUNPXJXWIA-MLGOLLRUSA-N 0 0 315.442 3.526 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)CCc1ccncc1)[C@@H](C)C2 ZINC000181912240 526202635 /nfs/dbraw/zinc/20/26/35/526202635.db2.gz WKULNTTYEDLQKX-HNAYVOBHSA-N 0 0 323.440 3.507 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1Cl ZINC000130045445 526243541 /nfs/dbraw/zinc/24/35/41/526243541.db2.gz LNEOBCFSXOUAIM-OAHLLOKOSA-N 0 0 303.793 3.739 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)Nc3cc(C)cc(C)c3)C2)c1 ZINC000111704318 526267816 /nfs/dbraw/zinc/26/78/16/526267816.db2.gz NJBQECDIAMHUHA-KRWDZBQOSA-N 0 0 312.417 3.677 10 0 DHAERN Cc1nnc([C@H](C)N[C@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429725 526406407 /nfs/dbraw/zinc/40/64/07/526406407.db2.gz BFFVCVJSGDDYFW-OLZOCXBDSA-N 0 0 303.406 3.825 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccccc3Cl)CCO2)n1 ZINC000157077764 526423123 /nfs/dbraw/zinc/42/31/23/526423123.db2.gz CILSEYFLCYGDRB-AWEZNQCLSA-N 0 0 308.834 3.678 10 0 DHAERN O=C(NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cc[nH]c1 ZINC000156575173 526557515 /nfs/dbraw/zinc/55/75/15/526557515.db2.gz IDPFFIVYAJONOO-GWCFXTLKSA-N 0 0 309.196 3.855 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1ccon1 ZINC000156692292 526560535 /nfs/dbraw/zinc/56/05/35/526560535.db2.gz HOULSNUBRJYPQW-GZMMTYOYSA-N 0 0 311.168 3.515 10 0 DHAERN O=C(c1ccc(Cl)cc1F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898027 526680078 /nfs/dbraw/zinc/68/00/78/526680078.db2.gz UXMVDAKZNPNGCK-CQSZACIVSA-N 0 0 307.756 3.570 10 0 DHAERN O=C(c1cccc(C(F)F)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000172121673 526753792 /nfs/dbraw/zinc/75/37/92/526753792.db2.gz QYGXRFMNPYPKJP-CQSZACIVSA-N 0 0 305.328 3.715 10 0 DHAERN O=C(c1cccc(Cl)n1)N1CCCC[C@H]1c1nccs1 ZINC000115363385 526762117 /nfs/dbraw/zinc/76/21/17/526762117.db2.gz XQAPAAZASTWFBJ-NSHDSACASA-N 0 0 307.806 3.559 10 0 DHAERN O=C(NOCc1ccccc1)N1CCCC[C@H]1c1nccs1 ZINC000176323399 526849689 /nfs/dbraw/zinc/84/96/89/526849689.db2.gz LIRGPSXGZNSCBZ-AWEZNQCLSA-N 0 0 317.414 3.512 10 0 DHAERN Cn1c(CSCCCc2cccc(F)c2)nnc1C1CC1 ZINC000180720864 527065639 /nfs/dbraw/zinc/06/56/39/527065639.db2.gz ZVAABQVDQJPUIW-UHFFFAOYSA-N 0 0 305.422 3.698 10 0 DHAERN O=C(Nc1ccc(Cl)c(F)c1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180640281 527175103 /nfs/dbraw/zinc/17/51/03/527175103.db2.gz JJICBGRWQQBSEC-CQSZACIVSA-N 0 0 322.771 3.961 10 0 DHAERN Cn1cc([C@@H]2CCCN2c2nc(-c3ccccc3)cs2)cn1 ZINC000127235400 527299261 /nfs/dbraw/zinc/29/92/61/527299261.db2.gz DMCNEZITIOVJRV-INIZCTEOSA-N 0 0 310.426 3.885 10 0 DHAERN O=C(Cc1ccncc1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000182124856 527308934 /nfs/dbraw/zinc/30/89/34/527308934.db2.gz GGDPFQFJODBNGI-KRWDZBQOSA-N 0 0 322.408 3.577 10 0 DHAERN O=C(/C=C/c1cccc(O)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000183353716 527628124 /nfs/dbraw/zinc/62/81/24/527628124.db2.gz KTAJIMFDABXGNL-WUOSCTTQSA-N 0 0 313.319 3.643 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H](C)CC(C)C ZINC000105850919 527659131 /nfs/dbraw/zinc/65/91/31/527659131.db2.gz ISWHZCVECXAEBD-CJNGLKHVSA-N 0 0 305.466 3.773 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@H](C)CC(C)C ZINC000105850923 527661700 /nfs/dbraw/zinc/66/17/00/527661700.db2.gz ISWHZCVECXAEBD-CZUORRHYSA-N 0 0 305.466 3.773 10 0 DHAERN FC(F)(F)c1csc(CN2CCCC[C@H]2c2cn[nH]c2)n1 ZINC000157386800 527690144 /nfs/dbraw/zinc/69/01/44/527690144.db2.gz ISGABYTUFYKGDK-JTQLQIEISA-N 0 0 316.352 3.612 10 0 DHAERN CC1CCN(c2ccc(NC(=O)Nc3ccccc3)cn2)CC1 ZINC000012235103 535286062 /nfs/dbraw/zinc/28/60/62/535286062.db2.gz QCKVKISGTCZIMF-UHFFFAOYSA-N 0 0 310.401 3.962 10 0 DHAERN C[C@@H]1CN(c2cc(C(F)(F)F)nc3ccccc32)C[C@H](C)O1 ZINC000026134644 563425201 /nfs/dbraw/zinc/42/52/01/563425201.db2.gz VLCKBWLASSYZRO-PHIMTYICSA-N 0 0 310.319 3.867 10 0 DHAERN C[C@H](c1cccs1)N(C)Cc1cnc(-c2ccccn2)nc1 ZINC000067675585 563488846 /nfs/dbraw/zinc/48/88/46/563488846.db2.gz LRFQHDODZWQOKP-CYBMUJFWSA-N 0 0 310.426 3.793 10 0 DHAERN CCCOC(=O)c1ccc(-c2nc3cc(N)c(C)cc3[nH]2)cc1 ZINC000078400757 563512727 /nfs/dbraw/zinc/51/27/27/563512727.db2.gz QMFOGANLDVKLRU-UHFFFAOYSA-N 0 0 309.369 3.687 10 0 DHAERN CCCc1cc2nc(-c3ccccn3)nn2c(Br)c1 ZINC000725248563 563526907 /nfs/dbraw/zinc/52/69/07/563526907.db2.gz XICSFVQBRNJYHI-UHFFFAOYSA-N 0 0 317.190 3.506 10 0 DHAERN Cc1nc(C)c(C(=O)Nc2cc(-c3cc[nH]n3)sc2C)s1 ZINC000075519233 563606175 /nfs/dbraw/zinc/60/61/75/563606175.db2.gz WENUJCRGJOCKKY-UHFFFAOYSA-N 0 0 318.427 3.772 10 0 DHAERN Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc2ccccc2c1 ZINC000224293511 563882979 /nfs/dbraw/zinc/88/29/79/563882979.db2.gz AFXXJYLQSQHPBX-UHFFFAOYSA-N 0 0 320.396 3.565 10 0 DHAERN Cc1cc(-c2ccc(/C=C/C(N)=O)o2)ccc1Br ZINC000226256555 563913187 /nfs/dbraw/zinc/91/31/87/563913187.db2.gz LXVLFILMLMOKAY-QPJJXVBHSA-N 0 0 306.159 3.516 10 0 DHAERN CCOc1cc2nn(-c3cccc4ccccc43)nc2cc1N ZINC000226264949 563913379 /nfs/dbraw/zinc/91/33/79/563913379.db2.gz GAEHODQGMJWBSL-UHFFFAOYSA-N 0 0 304.353 3.555 10 0 DHAERN Nc1cc(NC(=O)c2cccc(F)c2)ccc1N1CCCCC1 ZINC000226266427 563913523 /nfs/dbraw/zinc/91/35/23/563913523.db2.gz XDVWKJSHPRBEHI-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1OC ZINC000226287519 563913744 /nfs/dbraw/zinc/91/37/44/563913744.db2.gz HKOYEVFGCXSVFP-UHFFFAOYSA-N 0 0 324.380 3.594 10 0 DHAERN Fc1cccc2c(Br)cnc(Br)c12 ZINC000096856556 563913774 /nfs/dbraw/zinc/91/37/74/563913774.db2.gz SSUSMJWSDHJBQX-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN CCOC(=O)c1cc(C(=O)c2ccc(C)cc2)n2ccccc12 ZINC000048522983 563923821 /nfs/dbraw/zinc/92/38/21/563923821.db2.gz OPWCCTBSPAPSFR-UHFFFAOYSA-N 0 0 307.349 3.655 10 0 DHAERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC000328638472 563929824 /nfs/dbraw/zinc/92/98/24/563929824.db2.gz WLGPDXMNWXHJJI-JTQLQIEISA-N 0 0 323.849 3.625 10 0 DHAERN C/C(=N\[S@@](=O)C(C)(C)C)c1cc(Br)ccc1F ZINC000145556471 568413859 /nfs/dbraw/zinc/41/38/59/568413859.db2.gz WOADMISSFZLHGL-YBYKNVHQSA-N 0 0 320.227 3.859 10 0 DHAERN CC(C)(C)Oc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 ZINC000081634617 1014296311 /nfs/dbraw/zinc/29/63/11/1014296311.db2.gz ABHYYFBRKPVMMG-CZUORRHYSA-N 0 0 320.433 3.537 10 0 DHAERN Cc1[nH]c(C[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1C(=O)[O-] ZINC000689218799 976242777 /nfs/dbraw/zinc/24/27/77/976242777.db2.gz MKICMJFGEGAJEX-UHFFFAOYSA-N 0 0 313.184 3.618 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1Cl ZINC000701224905 976997619 /nfs/dbraw/zinc/99/76/19/976997619.db2.gz ZBYHEPJOZVVDAJ-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)C1C[C@H](C)O[C@@H](C)C1 ZINC000093096172 1014823914 /nfs/dbraw/zinc/82/39/14/1014823914.db2.gz JDHNMYWMMZDJLK-STQMWFEESA-N 0 0 305.418 3.966 10 0 DHAERN O=C(c1ncncc1Cl)N1CC2(CCCC2)c2ccccc21 ZINC000082972604 1032180534 /nfs/dbraw/zinc/18/05/34/1032180534.db2.gz PZKUWTRIXPLGJG-UHFFFAOYSA-N 0 0 313.788 3.602 10 0 DHAERN Cc1cccc(C2=CCN(C(=O)N[C@H](C)c3ccncc3)CC2)c1 ZINC000092460509 1032497556 /nfs/dbraw/zinc/49/75/56/1032497556.db2.gz YFWNWWURKRHILE-MRXNPFEDSA-N 0 0 321.424 3.950 10 0 DHAERN CN(CC1CC1)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000047357058 1025621135 /nfs/dbraw/zinc/62/11/35/1025621135.db2.gz IRPAUUOYDKJAOP-UHFFFAOYSA-N 0 0 312.417 3.636 10 0 DHAERN C[C@H](OC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000066886741 1030519855 /nfs/dbraw/zinc/51/98/55/1030519855.db2.gz DKHQKBNXFPIJRT-XHDPSFHLSA-N 0 0 313.328 3.556 10 0 DHAERN COc1ccc([C@H]2CCCN2C(=O)CNc2ccc(C)cc2)cc1 ZINC000072953212 1030586082 /nfs/dbraw/zinc/58/60/82/1030586082.db2.gz CCUSVUCABHPZNV-LJQANCHMSA-N 0 0 324.424 3.779 10 0 DHAERN CC(C)C[C@H](C)S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000074362551 1030618109 /nfs/dbraw/zinc/61/81/09/1030618109.db2.gz HXKYCSRDDGPAKC-QWHCGFSZSA-N 0 0 301.477 3.649 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3CCCCC3)C2)cc1 ZINC000078186873 1030921752 /nfs/dbraw/zinc/92/17/52/1030921752.db2.gz YUIWJRFQWZMMMK-PBHICJAKSA-N 0 0 301.430 3.980 10 0 DHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCn2ccnc21 ZINC000080554781 1031400470 /nfs/dbraw/zinc/40/04/70/1031400470.db2.gz KPGOMJBYVLZSKZ-HIFRSBDPSA-N 0 0 323.396 3.726 10 0 DHAERN CC(C)c1c(I)cccc1OC1CC1 ZINC000095726158 185383326 /nfs/dbraw/zinc/38/33/26/185383326.db2.gz WDSCLEJLROMWKM-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN O=C(Cc1ccc(F)cc1)c1ccc(Br)cc1O ZINC000095829723 185384167 /nfs/dbraw/zinc/38/41/67/185384167.db2.gz TWAMNJXRNBNFSS-UHFFFAOYSA-N 0 0 309.134 3.719 10 0 DHAERN CC[C@@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224680 185287258 /nfs/dbraw/zinc/28/72/58/185287258.db2.gz VYJVRGVISUNRHE-MNOVXSKESA-N 0 0 310.854 3.877 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1oc2ccccc2c1C ZINC000090225117 185287754 /nfs/dbraw/zinc/28/77/54/185287754.db2.gz OLMPMMKINQOZCA-IUODEOHRSA-N 0 0 310.401 3.827 10 0 DHAERN CC[C@@](C)(Oc1ccc(OCc2ccccc2)cc1)C(=O)OC ZINC000090413303 185295083 /nfs/dbraw/zinc/29/50/83/185295083.db2.gz FXNYKMXUQOLICV-LJQANCHMSA-N 0 0 314.381 3.986 10 0 DHAERN CC[C@](C)(Oc1ccc(OCc2ccccc2)cc1)C(=O)OC ZINC000090413301 185295249 /nfs/dbraw/zinc/29/52/49/185295249.db2.gz FXNYKMXUQOLICV-IBGZPJMESA-N 0 0 314.381 3.986 10 0 DHAERN CCCOc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 ZINC000090449143 185297002 /nfs/dbraw/zinc/29/70/02/185297002.db2.gz DGMFTLPUGOIXKU-UHFFFAOYSA-N 0 0 314.772 3.828 10 0 DHAERN CC(C)(C)OC(=O)n1ncc2c1cc(Br)cc2F ZINC000090548824 185302381 /nfs/dbraw/zinc/30/23/81/185302381.db2.gz BSUSGHUAEATEBZ-UHFFFAOYSA-N 0 0 315.142 3.721 10 0 DHAERN O=C(CNc1cccc(Cl)c1)Nc1ccc2cnccc2c1 ZINC000090636088 185307731 /nfs/dbraw/zinc/30/77/31/185307731.db2.gz MMCYJNADJMMVSM-UHFFFAOYSA-N 0 0 311.772 3.939 10 0 DHAERN CCCc1nnc(NCc2ccccc2-n2ccc(C)n2)s1 ZINC000132167888 334940706 /nfs/dbraw/zinc/94/07/06/334940706.db2.gz WWLJXJVNEKNIOI-UHFFFAOYSA-N 0 0 313.430 3.597 10 0 DHAERN Cc1cccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c1C ZINC000092812017 185343579 /nfs/dbraw/zinc/34/35/79/185343579.db2.gz BWLUPTWXDSZUAP-GOSISDBHSA-N 0 0 324.472 3.958 10 0 DHAERN C/C(=C/c1ccccc1)CN1CCO[C@@H](c2nccs2)C1 ZINC000092831670 185344649 /nfs/dbraw/zinc/34/46/49/185344649.db2.gz IHODHOZTJHWUCV-SYCZXOQXSA-N 0 0 300.427 3.620 10 0 DHAERN COc1ccc(S(=O)(=O)/C=C/c2ccccc2Cl)cc1 ZINC000103251846 185440871 /nfs/dbraw/zinc/44/08/71/185440871.db2.gz PEURWUXNBLDSQR-ZHACJKMWSA-N 0 0 308.786 3.793 10 0 DHAERN Cc1ncc(CS[C@H](C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000068977301 190792503 /nfs/dbraw/zinc/79/25/03/190792503.db2.gz JRQWXIANVTZEED-NWDGAFQWSA-N 0 0 320.483 3.951 10 0 DHAERN O=C(NCc1cccs1)c1cnc2[nH]cc(-c3ccoc3)c2c1 ZINC000139979302 186025416 /nfs/dbraw/zinc/02/54/16/186025416.db2.gz HSMJZBBBVQGHLQ-UHFFFAOYSA-N 0 0 323.377 3.814 10 0 DHAERN Brc1ccc(-c2cccc(Br)n2)nc1 ZINC000072204244 191076129 /nfs/dbraw/zinc/07/61/29/191076129.db2.gz UPKXDHCYMFFDOR-UHFFFAOYSA-N 0 0 313.980 3.669 10 0 DHAERN CSc1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1 ZINC000145012195 186036859 /nfs/dbraw/zinc/03/68/59/186036859.db2.gz SJMPCIDNJCAKQC-SNVBAGLBSA-N 0 0 313.469 3.510 10 0 DHAERN CN(C)c1ccc2nc(-c3cccc4ccccc43)[nH]c(=O)c2c1 ZINC000148884236 186046371 /nfs/dbraw/zinc/04/63/71/186046371.db2.gz SKVCPKXUVLJUEL-UHFFFAOYSA-N 0 0 315.376 3.809 10 0 DHAERN C[C@@H](c1ccccc1Cl)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000150739907 186061820 /nfs/dbraw/zinc/06/18/20/186061820.db2.gz GVRLUYIYWXKVIK-BFQNTYOBSA-N 0 0 307.821 3.960 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C)nc2C)C12CCCC2 ZINC000150786337 186065886 /nfs/dbraw/zinc/06/58/86/186065886.db2.gz WLFSDGOZIFMQPY-DLBZAZTESA-N 0 0 316.445 3.508 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)NC3CCCCCC3)c(=O)[nH]2)cc1 ZINC000072451084 191170183 /nfs/dbraw/zinc/17/01/83/191170183.db2.gz LNAKNTGFEZMUIT-UHFFFAOYSA-N 0 0 324.424 3.803 10 0 DHAERN CSc1nnc(SCC(=O)c2ccc(Cl)s2)s1 ZINC000072645917 191208488 /nfs/dbraw/zinc/20/84/88/191208488.db2.gz XTSALZZVIQLRPL-UHFFFAOYSA-N 0 0 322.889 3.950 10 0 DHAERN Cc1cc(C)c2c(N)c(C(=O)NC3CCCCC3)sc2n1 ZINC000000422116 180784586 /nfs/dbraw/zinc/78/45/86/180784586.db2.gz VRHWKSORSQPGFJ-UHFFFAOYSA-N 0 0 303.431 3.558 10 0 DHAERN O=C(/C=C/c1ccccc1Cl)NC(=S)Nc1ccccc1 ZINC000000516532 180811116 /nfs/dbraw/zinc/81/11/16/180811116.db2.gz HGMDUTKIWORCMV-ZHACJKMWSA-N 0 0 316.813 3.866 10 0 DHAERN CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1ccccn1 ZINC000002785452 180956967 /nfs/dbraw/zinc/95/69/67/180956967.db2.gz DQCLSVIRKBFUHW-UHFFFAOYSA-N 0 0 319.861 3.632 10 0 DHAERN Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)cc1 ZINC000003547937 181033106 /nfs/dbraw/zinc/03/31/06/181033106.db2.gz FAZPHIOYVGDPAH-SFHVURJKSA-N 0 0 324.424 3.697 10 0 DHAERN COC(=O)c1ccc2[nH]c(SCc3cccc(C)c3)nc2c1 ZINC000004955374 181179028 /nfs/dbraw/zinc/17/90/28/181179028.db2.gz QVGPGQABPFHICL-UHFFFAOYSA-N 0 0 312.394 3.950 10 0 DHAERN C[C@H]1CCc2c(sc3ncn4c(nnc4C(C)(C)C)c23)C1 ZINC000005414499 181240543 /nfs/dbraw/zinc/24/05/43/181240543.db2.gz MOFKMSIBLYVOQO-VIFPVBQESA-N 0 0 300.431 3.761 10 0 DHAERN c1ccc(C[C@@H](c2cccnc2)n2nnc3ccccc32)cc1 ZINC000005331692 181230179 /nfs/dbraw/zinc/23/01/79/181230179.db2.gz GEHASZZBZABRGQ-IBGZPJMESA-N 0 0 300.365 3.658 10 0 DHAERN Nc1ccc([C@@H](Cc2ccccc2)n2nnc3ccccc32)cc1 ZINC000005331709 181230284 /nfs/dbraw/zinc/23/02/84/181230284.db2.gz AAKPUTFDOVVKOQ-HXUWFJFHSA-N 0 0 314.392 3.846 10 0 DHAERN CN(C)c1ccc([C@@H](c2ccccn2)c2ccc(O)cc2O)cc1 ZINC000005328701 181230482 /nfs/dbraw/zinc/23/04/82/181230482.db2.gz GXCUJVPAYGUWPG-HXUWFJFHSA-N 0 0 320.392 3.739 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1csc(-c2ccco2)n1 ZINC000081569697 192294199 /nfs/dbraw/zinc/29/41/99/192294199.db2.gz CCODAMKFETZULO-NSHDSACASA-N 0 0 322.430 3.565 10 0 DHAERN COc1cc2c(cc1O)CC[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000005855431 181290124 /nfs/dbraw/zinc/29/01/24/181290124.db2.gz CQOQDQWUFQDJMK-VLRIOREASA-N 0 0 302.414 3.618 10 0 investigational DHAERN CCc1c(C)sc(NC(=O)c2ccccc2Cl)c1C(N)=O ZINC000006122970 181314838 /nfs/dbraw/zinc/31/48/38/181314838.db2.gz SETIGLOXNPTRQL-UHFFFAOYSA-N 0 0 322.817 3.624 10 0 DHAERN C[C@H]1CN(C(=O)/C(=C/c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000006472133 181343465 /nfs/dbraw/zinc/34/34/65/181343465.db2.gz VZIYGZNKPNNMAY-WLNXHHGHSA-N 0 0 321.420 3.863 10 0 DHAERN Cc1cccc2c(N)c(C(=O)Nc3ccc(Cl)cn3)oc21 ZINC000200140078 201425638 /nfs/dbraw/zinc/42/56/38/201425638.db2.gz KCSGOFMDZQMXFS-UHFFFAOYSA-N 0 0 301.733 3.624 10 0 DHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182717329 335001913 /nfs/dbraw/zinc/00/19/13/335001913.db2.gz VUOVHWAFSKBWKE-SJORKVTESA-N 0 0 324.428 3.834 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182717309 335002061 /nfs/dbraw/zinc/00/20/61/335002061.db2.gz VUOVHWAFSKBWKE-IRXDYDNUSA-N 0 0 324.428 3.834 10 0 DHAERN Clc1cccc(-c2nc3cc(Br)ccn3n2)c1 ZINC000258121821 203069582 /nfs/dbraw/zinc/06/95/82/203069582.db2.gz YYGVBOBPENRUTF-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1 ZINC000007256150 181449510 /nfs/dbraw/zinc/44/95/10/181449510.db2.gz NRTSOSDHOMCICH-UHFFFAOYSA-N 0 0 307.349 3.529 10 0 DHAERN C[C@@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089348 193421131 /nfs/dbraw/zinc/42/11/31/193421131.db2.gz CFWGBBIMAUKTRF-HUUCEWRRSA-N 0 0 320.433 3.949 10 0 DHAERN CC(=O)c1cc(CNC(=O)OC(C)(C)C)cc(C(F)(F)F)c1 ZINC000095764653 193448728 /nfs/dbraw/zinc/44/87/28/193448728.db2.gz NYLFNJSBTLFZRD-UHFFFAOYSA-N 0 0 317.307 3.933 10 0 DHAERN Cc1c2nc(NC(=O)c3cccnc3)sc2c(C)c(O)c1C ZINC000095932499 193450455 /nfs/dbraw/zinc/45/04/55/193450455.db2.gz OOAJMDZREMTNOP-UHFFFAOYSA-N 0 0 313.382 3.574 10 0 DHAERN COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2)cc1OC ZINC000008493901 181559494 /nfs/dbraw/zinc/55/94/94/181559494.db2.gz YYFQHVMRKRCOJO-OAHLLOKOSA-N 0 0 316.788 3.796 10 0 DHAERN CC(C)CCOc1cccc(C(=O)NC(=S)NC(C)(C)C)c1 ZINC000008568157 181565315 /nfs/dbraw/zinc/56/53/15/181565315.db2.gz VPOLJTREGLHCGD-UHFFFAOYSA-N 0 0 322.474 3.514 10 0 DHAERN Cc1ccc(C)c(OCCn2c3ccccc3nc2C(C)(C)O)c1 ZINC000008785976 181586456 /nfs/dbraw/zinc/58/64/56/181586456.db2.gz OIMSNGDQQLTANF-UHFFFAOYSA-N 0 0 324.424 3.960 10 0 DHAERN O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccccc1 ZINC000012636064 181785005 /nfs/dbraw/zinc/78/50/05/181785005.db2.gz OCQPQJTWJJBWQW-UHFFFAOYSA-N 0 0 312.756 3.925 10 0 DHAERN Cc1ccc(-c2cc(CC(=O)Nc3ccccc3F)no2)cc1 ZINC000012862776 181804876 /nfs/dbraw/zinc/80/48/76/181804876.db2.gz MGPXHFSQZHODEF-UHFFFAOYSA-N 0 0 310.328 3.970 10 0 DHAERN COc1ccc(-c2cc3cc(O)c(OC)cc3o2)c(OC)c1 ZINC000013340094 181845666 /nfs/dbraw/zinc/84/56/66/181845666.db2.gz XHPVKSBYQJUMTF-UHFFFAOYSA-N 0 0 300.310 3.831 10 0 DHAERN CCO[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 ZINC000013651797 181873630 /nfs/dbraw/zinc/87/36/30/181873630.db2.gz ANKOHKSMKNFSEE-SIRBJWHBSA-N 0 0 316.441 3.624 10 0 DHAERN CCOc1ccc(C(=O)N(C)C2CCCCC2)c(OCC)c1 ZINC000014646773 181963894 /nfs/dbraw/zinc/96/38/94/181963894.db2.gz SPFDFNBFGAHWTA-UHFFFAOYSA-N 0 0 305.418 3.889 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000015769049 182014833 /nfs/dbraw/zinc/01/48/33/182014833.db2.gz YRZBBEWNSSCUGV-MRVPVSSYSA-N 0 0 311.307 3.788 10 0 DHAERN O=C(NCc1ccccc1)c1ncoc1-c1cccc(Cl)c1 ZINC000015782288 182016647 /nfs/dbraw/zinc/01/66/47/182016647.db2.gz AGDNTCIZNQKEBD-UHFFFAOYSA-N 0 0 312.756 3.925 10 0 DHAERN COc1cccc(CC(=O)N[C@@H](C)c2cccc(Cl)c2)c1 ZINC000016018292 182029163 /nfs/dbraw/zinc/02/91/63/182029163.db2.gz SUVJRGUQAYWNBR-LBPRGKRZSA-N 0 0 303.789 3.769 10 0 DHAERN NC(=S)c1cccc(COc2cccc(Br)c2)c1 ZINC000019482060 182125462 /nfs/dbraw/zinc/12/54/62/182125462.db2.gz MIMNOYMDTVOQMC-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN NC(=S)c1cccc(COc2ccccc2Br)c1 ZINC000019485534 182125035 /nfs/dbraw/zinc/12/50/35/182125035.db2.gz SEVLOHDHQBRNLG-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN C[C@H](c1cc2cc(Br)ccc2o1)n1nccc1N ZINC000019689238 182136899 /nfs/dbraw/zinc/13/68/99/182136899.db2.gz QKPDOYPPXJDMOT-MRVPVSSYSA-N 0 0 306.163 3.583 10 0 DHAERN Nc1cccc(-c2nc(-c3cccc(Br)c3)no2)c1 ZINC000019771939 182145589 /nfs/dbraw/zinc/14/55/89/182145589.db2.gz GLSMPYOWAFFLGU-UHFFFAOYSA-N 0 0 316.158 3.748 10 0 DHAERN COc1cccc(COc2ccc(Br)cc2N)c1 ZINC000019845912 182156272 /nfs/dbraw/zinc/15/62/72/182156272.db2.gz QTQPXDRWYYSDQY-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN CC(C)C[C@@H](N)c1nc(-c2ccc(Br)cc2)no1 ZINC000019785658 182148558 /nfs/dbraw/zinc/14/85/58/182148558.db2.gz BBZYGZHNVLOOJQ-LLVKDONJSA-N 0 0 310.195 3.545 10 0 DHAERN C[C@@H](Nc1ccc(C(N)=O)cc1)c1cccc(Br)c1 ZINC000019911335 182163722 /nfs/dbraw/zinc/16/37/22/182163722.db2.gz VSGIBXRSNVFMGQ-SNVBAGLBSA-N 0 0 319.202 3.721 10 0 DHAERN Nc1cc2c(cc1Oc1cccc(Br)c1)OCCO2 ZINC000019869100 182158779 /nfs/dbraw/zinc/15/87/79/182158779.db2.gz JPWSDBGGBCFFQR-UHFFFAOYSA-N 0 0 322.158 3.595 10 0 DHAERN Nc1ccc(Cl)cc1NC(=O)CCCOc1ccccc1 ZINC000019984259 182173538 /nfs/dbraw/zinc/17/35/38/182173538.db2.gz PUKGEYRLFLKBSQ-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN COc1cccc(SCC(=O)Nc2ccc(Cl)cc2N)c1 ZINC000019984028 182173791 /nfs/dbraw/zinc/17/37/91/182173791.db2.gz QJESOCOFQQYIAY-UHFFFAOYSA-N 0 0 322.817 3.662 10 0 DHAERN Cc1cccc(N)c1C(=O)NCCc1ccc(Cl)cc1Cl ZINC000020017361 182179024 /nfs/dbraw/zinc/17/90/24/182179024.db2.gz GTBSEPCVKQCEQF-UHFFFAOYSA-N 0 0 323.223 3.857 10 0 DHAERN Cc1cccc(NCC(=O)Nc2cccc(Br)c2)c1 ZINC000020034749 182182286 /nfs/dbraw/zinc/18/22/86/182182286.db2.gz FCWWREMCKGQADC-UHFFFAOYSA-N 0 0 319.202 3.808 10 0 DHAERN CCOC(=O)c1c(C)[nH]cc1Cc1ccc(Br)cc1 ZINC000020272528 182202389 /nfs/dbraw/zinc/20/23/89/182202389.db2.gz FHSTXTQHTPFBIF-UHFFFAOYSA-N 0 0 322.202 3.853 10 0 DHAERN CCc1ccc(OCC(=O)Nc2cc(N)ccc2Cl)cc1 ZINC000020344522 182209694 /nfs/dbraw/zinc/20/96/94/182209694.db2.gz WQXVPBOAVDVWSV-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN Nc1ccc(Cl)c(NC(=O)COc2ccccc2Cl)c1 ZINC000020344497 182209868 /nfs/dbraw/zinc/20/98/68/182209868.db2.gz ZTTYUEBYHQLTRN-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Nc1ccc(Cl)c(NC(=O)c2ccc(F)c(F)c2F)c1 ZINC000020345503 182210605 /nfs/dbraw/zinc/21/06/05/182210605.db2.gz SXSYRRMFCBLXAS-UHFFFAOYSA-N 0 0 300.667 3.592 10 0 DHAERN Cc1nn(C)c(C)c1CNc1ccc(F)cc1Br ZINC000020430310 182216464 /nfs/dbraw/zinc/21/64/64/182216464.db2.gz ATVMSBFGGRIMEU-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN Cc1cc(C)c(C(=O)Nc2nnc(-c3cccnc3)s2)c(C)c1 ZINC000020440480 182218209 /nfs/dbraw/zinc/21/82/09/182218209.db2.gz XDLBMNCTKBJANE-UHFFFAOYSA-N 0 0 324.409 3.778 10 0 DHAERN CC(C)NC(=O)[C@@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505301 182225970 /nfs/dbraw/zinc/22/59/70/182225970.db2.gz MVSNLWDLLGPTIZ-SSDOTTSWSA-N 0 0 309.624 3.972 10 0 DHAERN Fc1ccc(-n2ncc(Br)c2C(F)(F)F)cc1 ZINC000020593942 182235420 /nfs/dbraw/zinc/23/54/20/182235420.db2.gz FWWHYNBPGRFZLV-UHFFFAOYSA-N 0 0 309.060 3.793 10 0 DHAERN CC[C@@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000021145304 182266750 /nfs/dbraw/zinc/26/67/50/182266750.db2.gz DWMOOODCNZETGK-LLVKDONJSA-N 0 0 311.341 3.981 10 0 DHAERN CCCCCOc1cc(I)ccc1OC ZINC000021981657 182301380 /nfs/dbraw/zinc/30/13/80/182301380.db2.gz ZQBWSCPXIKDJND-UHFFFAOYSA-N 0 0 320.170 3.869 10 0 DHAERN CCOC(=O)C[C@@H](CC)C(=O)c1ccc(Br)cc1 ZINC000021993470 182302533 /nfs/dbraw/zinc/30/25/33/182302533.db2.gz BCHZVTWLQVUBTB-SNVBAGLBSA-N 0 0 313.191 3.611 10 0 DHAERN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1ccnc(Cl)c1 ZINC000022764049 182332998 /nfs/dbraw/zinc/33/29/98/182332998.db2.gz PWRPZVCZESSPLH-ZJUUUORDSA-N 0 0 306.715 3.586 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(Cl)ccn1 ZINC000027850878 182493364 /nfs/dbraw/zinc/49/33/64/182493364.db2.gz YDUHDNRDVIAHNT-SCZZXKLOSA-N 0 0 306.715 3.586 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(c2ccccc2)CC1 ZINC000027857249 182493606 /nfs/dbraw/zinc/49/36/06/182493606.db2.gz VNXGZRXSZKGHMO-ZIAGYGMSSA-N 0 0 311.347 3.956 10 0 DHAERN CCOC(=O)c1cc2cc(F)cnc2n1Cc1cccc(F)c1 ZINC000098177669 193791512 /nfs/dbraw/zinc/79/15/12/193791512.db2.gz PVGTWYYDLAEBNV-UHFFFAOYSA-N 0 0 316.307 3.540 10 0 DHAERN COc1ccc2c(c1)C=CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000029467042 182565927 /nfs/dbraw/zinc/56/59/27/182565927.db2.gz BCWFDUAJFIKIAR-UHFFFAOYSA-N 0 0 312.365 3.957 10 0 DHAERN Cc1cc(-c2nc3cc(Br)ccc3[nH]2)ccc1N ZINC000037441111 182893277 /nfs/dbraw/zinc/89/32/77/182893277.db2.gz LUVGSAWHTJSHON-UHFFFAOYSA-N 0 0 302.175 3.883 10 0 DHAERN O[C@]1(Cc2ccccc2Br)CCc2ccccc21 ZINC000037530403 182904555 /nfs/dbraw/zinc/90/45/55/182904555.db2.gz WPPKRBSCDGHQEF-INIZCTEOSA-N 0 0 303.199 3.826 10 0 DHAERN Cn1c2ccc(Br)cc2nc1-c1ccc(F)c(N)c1 ZINC000037599905 182913052 /nfs/dbraw/zinc/91/30/52/182913052.db2.gz NGHVETJYDCBIDM-UHFFFAOYSA-N 0 0 320.165 3.724 10 0 DHAERN CCOC(=O)[C@](C)(NC1CCCC1)c1ccc(F)c(Cl)c1 ZINC000037970700 182944869 /nfs/dbraw/zinc/94/48/69/182944869.db2.gz DPHCSSUVEUFSLQ-MRXNPFEDSA-N 0 0 313.800 3.790 10 0 DHAERN COc1cc(NCc2nc3ccccc3s2)cc(OC)c1 ZINC000037977662 182949005 /nfs/dbraw/zinc/94/90/05/182949005.db2.gz XEFLYXRSADHUHH-UHFFFAOYSA-N 0 0 300.383 3.926 10 0 DHAERN C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1ccc(Cl)nc1 ZINC000037980223 182950860 /nfs/dbraw/zinc/95/08/60/182950860.db2.gz OEYVQUJGHYBHCZ-QMMMGPOBSA-N 0 0 306.715 3.538 10 0 DHAERN Cc1ccc(C(C)C)cc1Oc1ccc(S(N)(=O)=O)cc1 ZINC000038052912 182982753 /nfs/dbraw/zinc/98/27/53/182982753.db2.gz SNAHIELUHGECRV-UHFFFAOYSA-N 0 0 305.399 3.558 10 0 DHAERN COc1ccc(CCc2ccccc2Br)c(N)c1 ZINC000039086122 183013870 /nfs/dbraw/zinc/01/38/70/183013870.db2.gz RZVNJQVARKLIMB-UHFFFAOYSA-N 0 0 306.203 3.825 10 0 DHAERN COc1ccc(C[C@H](O)c2ccc(Br)cc2)cc1 ZINC000040243357 183049314 /nfs/dbraw/zinc/04/93/14/183049314.db2.gz XQILEBDEVBXTKC-HNNXBMFYSA-N 0 0 307.187 3.734 10 0 DHAERN O=c1c2sc3c(c2[nH]c(=S)n1-c1ccccc1)CCCC3 ZINC000040176344 183044220 /nfs/dbraw/zinc/04/42/20/183044220.db2.gz OASYWHUGNLIGGP-UHFFFAOYSA-N 0 0 314.435 3.989 10 0 DHAERN CCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211716 183045262 /nfs/dbraw/zinc/04/52/62/183045262.db2.gz AQBGPGPCLMWMLY-UHFFFAOYSA-N 0 0 301.434 3.541 10 0 DHAERN CCC(=O)NCCCc1nc2ccccc2n1CCC(C)C ZINC000040203979 183045534 /nfs/dbraw/zinc/04/55/34/183045534.db2.gz FVTMJLLWXCHSRD-UHFFFAOYSA-N 0 0 301.434 3.541 10 0 DHAERN COc1cccc(NC(=O)Cn2c(C)nc3cc(C)c(C)cc32)c1 ZINC000040295550 183052830 /nfs/dbraw/zinc/05/28/30/183052830.db2.gz ZFCRGAUBPIHBDM-UHFFFAOYSA-N 0 0 323.396 3.609 10 0 DHAERN COCCCCCNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000101996331 193854295 /nfs/dbraw/zinc/85/42/95/193854295.db2.gz OCXBPWKPUQAUQZ-LLVKDONJSA-N 0 0 316.804 3.656 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Oc3cccnc3)c2N)c1 ZINC000040681580 183117075 /nfs/dbraw/zinc/11/70/75/183117075.db2.gz SQSBMCJGJZIVKJ-UHFFFAOYSA-N 0 0 308.341 3.655 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(N3CCCCCC3)c2N)c1 ZINC000040681805 183117082 /nfs/dbraw/zinc/11/70/82/183117082.db2.gz LQEZVMREMIPJAS-UHFFFAOYSA-N 0 0 311.433 3.800 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3cccc(C)n3)c2N)cc1 ZINC000040685234 183117864 /nfs/dbraw/zinc/11/78/64/183117864.db2.gz UMEGRHCUDORFNE-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Cc1cccc(Nc2ncnc(N3CCc4ccccc43)c2N)c1 ZINC000040687367 183117979 /nfs/dbraw/zinc/11/79/79/183117979.db2.gz RJUJQURIHSOLQH-UHFFFAOYSA-N 0 0 317.396 3.805 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3ccccn3)c2N)cc1 ZINC000040688481 183117993 /nfs/dbraw/zinc/11/79/93/183117993.db2.gz DXOLUSRMNJQFFW-UHFFFAOYSA-N 0 0 306.373 3.503 10 0 DHAERN CC(C)Oc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701841 183119717 /nfs/dbraw/zinc/11/97/17/183119717.db2.gz JYKUCKIFWKMPCF-UHFFFAOYSA-N 0 0 312.295 3.608 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cc(C)ccn3)c2N)cc1 ZINC000040701355 183120236 /nfs/dbraw/zinc/12/02/36/183120236.db2.gz WRBIAGPTXDXSMU-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN CC(C)Nc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040708201 183120453 /nfs/dbraw/zinc/12/04/53/183120453.db2.gz XGFYBXZAKHBTFU-UHFFFAOYSA-N 0 0 312.204 3.930 10 0 DHAERN CCCCNc1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040706471 183120537 /nfs/dbraw/zinc/12/05/37/183120537.db2.gz USFKCPDJKIJXJW-UHFFFAOYSA-N 0 0 323.400 3.920 10 0 DHAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Nc1ccccn1 ZINC000040778940 183132604 /nfs/dbraw/zinc/13/26/04/183132604.db2.gz MDQWDQRIHWXLQN-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN Nc1c(Nc2ccccc2)ncnc1Nc1cccnc1Cl ZINC000040781142 183133002 /nfs/dbraw/zinc/13/30/02/183133002.db2.gz JZFWWSNAEULITL-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN Nc1c(Nc2cccc(Cl)c2)ncnc1Oc1cccnc1 ZINC000040781829 183133032 /nfs/dbraw/zinc/13/30/32/183133032.db2.gz PQZRINVLHMRMJF-UHFFFAOYSA-N 0 0 313.748 3.643 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)c3)c2N)nc1 ZINC000040781683 183133255 /nfs/dbraw/zinc/13/32/55/183133255.db2.gz SOBVZPXZNXDMKZ-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781039 183133307 /nfs/dbraw/zinc/13/33/07/183133307.db2.gz WLPSJJRKWCGPKU-UHFFFAOYSA-N 0 0 307.357 3.555 10 0 DHAERN COc1ccccc1Nc1ncnc(Oc2ccccc2)c1N ZINC000040781554 183133334 /nfs/dbraw/zinc/13/33/34/183133334.db2.gz OKZROKFPVUWDPP-UHFFFAOYSA-N 0 0 308.341 3.603 10 0 DHAERN Cc1ccc2nc(Nc3ncnc(OC(C)C)c3N)sc2c1 ZINC000040783587 183134032 /nfs/dbraw/zinc/13/40/32/183134032.db2.gz DCYACYPBHGKJCQ-UHFFFAOYSA-N 0 0 315.402 3.508 10 0 DHAERN CSc1ncc(Cl)c(C(=O)Oc2c(C)cc(C)cc2C)n1 ZINC000040803878 183136093 /nfs/dbraw/zinc/13/60/93/183136093.db2.gz BRNBSBHDUMKGDW-UHFFFAOYSA-N 0 0 322.817 3.996 10 0 DHAERN CCc1ccc(/C=C/C(=O)Nc2nnc(CC(C)C)s2)cc1 ZINC000040828232 183138239 /nfs/dbraw/zinc/13/82/39/183138239.db2.gz SSRJFZPNVOYOQD-MDZDMXLPSA-N 0 0 315.442 3.951 10 0 DHAERN Nc1c(Nc2cccc(Cl)c2Cl)ncnc1N1CCCC1 ZINC000040724355 183124903 /nfs/dbraw/zinc/12/49/03/183124903.db2.gz RFJQVGGKPAJHKF-UHFFFAOYSA-N 0 0 324.215 3.709 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(Oc2ccccc2)c1N ZINC000040735808 183126578 /nfs/dbraw/zinc/12/65/78/183126578.db2.gz PQENAJROWHAHLW-UHFFFAOYSA-N 0 0 314.433 3.970 10 0 DHAERN Nc1c(NC2CCCC2)ncnc1Oc1cccc2cccnc21 ZINC000040752219 183129064 /nfs/dbraw/zinc/12/90/64/183129064.db2.gz QXHRZKYWXZETOS-UHFFFAOYSA-N 0 0 321.384 3.754 10 0 DHAERN Nc1c(Nc2ccc(F)cc2)ncnc1Nc1ccccc1F ZINC000040759170 183130146 /nfs/dbraw/zinc/13/01/46/183130146.db2.gz XQKUFGNPIUOMEP-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN CCc1cccc(CC)c1NC(=S)NC(=O)c1cccs1 ZINC000040898425 183147087 /nfs/dbraw/zinc/14/70/87/183147087.db2.gz KOIGBPKHJTUCRE-UHFFFAOYSA-N 0 0 318.467 4.000 10 0 DHAERN CCc1ccc(-c2cc(-c3ccc4n[nH]cc4c3)nc(=O)[nH]2)cc1 ZINC000040979167 183154472 /nfs/dbraw/zinc/15/44/72/183154472.db2.gz CKDGWVVOAMTOQJ-UHFFFAOYSA-N 0 0 316.364 3.543 10 0 DHAERN CCOc1ccc(CCC(=O)Nc2ccc(C)cc2)cc1OC ZINC000040999901 183155286 /nfs/dbraw/zinc/15/52/86/183155286.db2.gz OUGCKCYZAVGSCQ-UHFFFAOYSA-N 0 0 313.397 3.974 10 0 DHAERN O=C(/C=C/c1ccco1)Nc1ccnc2c(F)cc(F)cc12 ZINC000041058183 183160896 /nfs/dbraw/zinc/16/08/96/183160896.db2.gz LXWXYHBOUFOTKI-ONEGZZNKSA-N 0 0 300.264 3.758 10 0 DHAERN COc1ccc(OCC(=O)Nc2ccnc3c(C)cccc23)cc1 ZINC000041057865 183161002 /nfs/dbraw/zinc/16/10/02/183161002.db2.gz CZCOYGYMWKMOJU-UHFFFAOYSA-N 0 0 322.364 3.569 10 0 DHAERN COc1ccc2nccc(NC(=O)c3ccc(C)c(OC)c3)c2c1 ZINC000041058053 183161137 /nfs/dbraw/zinc/16/11/37/183161137.db2.gz NDMDDVIBLZRDJD-UHFFFAOYSA-N 0 0 322.364 3.813 10 0 DHAERN COc1ccc(C[C@H](O)c2cccc(Br)c2)cc1 ZINC000041538337 183200357 /nfs/dbraw/zinc/20/03/57/183200357.db2.gz HCLPLMVKVCRZDN-HNNXBMFYSA-N 0 0 307.187 3.734 10 0 DHAERN OC[C@@H](Cc1ccccc1F)c1ccc(Br)cc1 ZINC000041542947 183201372 /nfs/dbraw/zinc/20/13/72/183201372.db2.gz RSYHAJXNKXQTGE-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN O=S1CCC(Nc2ccc(SC(F)(F)F)cc2)CC1 ZINC000042337034 183255952 /nfs/dbraw/zinc/25/59/52/183255952.db2.gz UCAMILFFNCNALR-UHFFFAOYSA-N 0 0 309.378 3.622 10 0 DHAERN CC(C)[C@H](O)c1cc(Br)sc1Br ZINC000042352223 183257546 /nfs/dbraw/zinc/25/75/46/183257546.db2.gz WTBUUFODBHAAJM-ZETCQYMHSA-N 0 0 314.042 3.963 10 0 DHAERN COCCN(CC(C)C)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042370399 183259660 /nfs/dbraw/zinc/25/96/60/183259660.db2.gz RGLNWHKBEPZTAW-NSHDSACASA-N 0 0 303.855 3.577 10 0 DHAERN Cc1ccc([C@@H](C)Nc2ncc(Br)cc2N)s1 ZINC000042599720 183289467 /nfs/dbraw/zinc/28/94/67/183289467.db2.gz UPARITUDADXBDW-MRVPVSSYSA-N 0 0 312.236 3.969 10 0 DHAERN C[C@@H]1CCCC[C@H]1N(C)c1cc(Br)ccc1CO ZINC000042608655 183290604 /nfs/dbraw/zinc/29/06/04/183290604.db2.gz ZFZGYHSCQPCEPF-BXUZGUMPSA-N 0 0 312.251 3.956 10 0 DHAERN Brc1cc(I)cc2cc[nH]c21 ZINC000042689398 183296360 /nfs/dbraw/zinc/29/63/60/183296360.db2.gz FKNFQTQICOJZLN-UHFFFAOYSA-N 0 0 321.943 3.535 10 0 DHAERN O=C(C(=O)N1CCc2ccccc21)c1c[nH]c2ccc(Cl)cc12 ZINC000043023079 183330673 /nfs/dbraw/zinc/33/06/73/183330673.db2.gz GZUMZLGUPZZMDA-UHFFFAOYSA-N 0 0 324.767 3.593 10 0 DHAERN CCN(CC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)COC ZINC000042775016 183307954 /nfs/dbraw/zinc/30/79/54/183307954.db2.gz IGACYEINOKUHDH-JTQLQIEISA-N 0 0 304.217 3.533 10 0 DHAERN CC[C@@H](c1ccc(C)cc1)n1nc(C)c(Br)c1N ZINC000043681537 183380169 /nfs/dbraw/zinc/38/01/69/183380169.db2.gz MEINXLFNTKQDNK-LBPRGKRZSA-N 0 0 308.223 3.844 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CCc2ccc(O)cc2)o1 ZINC000043719958 183383303 /nfs/dbraw/zinc/38/33/03/183383303.db2.gz QSEKIOIRKLIKGL-JSGCOSHPSA-N 0 0 316.401 3.675 10 0 DHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1ccc(Br)o1 ZINC000044285962 183402713 /nfs/dbraw/zinc/40/27/13/183402713.db2.gz OKCKFMCCONJVHG-AEJSXWLSSA-N 0 0 300.196 3.597 10 0 DHAERN CCCn1c2ccc(NC(=O)CC3CCCCC3)cc2oc1=O ZINC000046141141 183553636 /nfs/dbraw/zinc/55/36/36/183553636.db2.gz KVOVQXQSZRSWJC-UHFFFAOYSA-N 0 0 316.401 3.913 10 0 DHAERN C[C@@H]1C[C@@H](C)CN(C(=O)[C@H](Cc2ccccc2)n2cccc2)C1 ZINC000105612736 194115359 /nfs/dbraw/zinc/11/53/59/194115359.db2.gz KDQQJZPFAMXIFG-LMMKCTJWSA-N 0 0 310.441 3.776 10 0 DHAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2ccccc2C)c1 ZINC000047133315 183581481 /nfs/dbraw/zinc/58/14/81/183581481.db2.gz DDEUNFSPSFCFNH-UHFFFAOYSA-N 0 0 307.353 3.914 10 0 DHAERN Cc1ccc2c(Nc3ccc4c(c3)OCCO4)cc(C)nc2n1 ZINC000047162305 183582637 /nfs/dbraw/zinc/58/26/37/183582637.db2.gz NWXBCVDJVUKSCD-UHFFFAOYSA-N 0 0 307.353 3.761 10 0 DHAERN COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000105831374 194140827 /nfs/dbraw/zinc/14/08/27/194140827.db2.gz SESIETRDRVFSDY-VQHVLOKHSA-N 0 0 307.143 3.895 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H](C)c1ccc(F)cc1F)C2 ZINC000106372470 194201648 /nfs/dbraw/zinc/20/16/48/194201648.db2.gz RFVORISVVSCVLH-LBPRGKRZSA-N 0 0 319.399 3.941 10 0 DHAERN O=C(COc1ccc(Br)cc1)c1ccccc1F ZINC000048102187 183621311 /nfs/dbraw/zinc/62/13/11/183621311.db2.gz LLRNGUMTZBVAKJ-UHFFFAOYSA-N 0 0 309.134 3.850 10 0 DHAERN COc1ccc(C[C@H](O)c2cccs2)cc1Br ZINC000049598361 183746468 /nfs/dbraw/zinc/74/64/68/183746468.db2.gz ISOPVUBOILQKQW-NSHDSACASA-N 0 0 313.216 3.795 10 0 DHAERN Nc1cc(Br)ccc1N[C@@H]1CCOc2ccccc21 ZINC000051987161 183844318 /nfs/dbraw/zinc/84/43/18/183844318.db2.gz FUUIHCDUXUFTLH-CYBMUJFWSA-N 0 0 319.202 3.967 10 0 DHAERN CCCOCCC(=O)Nc1ccc(Br)cc1C ZINC000054434922 183939702 /nfs/dbraw/zinc/93/97/02/183939702.db2.gz RTRABJAATAEXSL-UHFFFAOYSA-N 0 0 300.196 3.513 10 0 DHAERN CC(C)c1ccc(CNc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000057342668 184034561 /nfs/dbraw/zinc/03/45/61/184034561.db2.gz SQSWAHMLRZJLLU-UHFFFAOYSA-N 0 0 311.307 3.524 10 0 DHAERN CO[C@@H](C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000061160483 184163574 /nfs/dbraw/zinc/16/35/74/184163574.db2.gz MENODQXOMNJARO-HZSPNIEDSA-N 0 0 315.335 3.611 10 0 DHAERN Clc1ccc(Cl)c(CN2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000061631382 184179982 /nfs/dbraw/zinc/17/99/82/184179982.db2.gz KOWYUMXCANVKPV-STQMWFEESA-N 0 0 301.217 3.532 10 0 DHAERN CCCC1(C(=O)[O-])CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000062847289 184256772 /nfs/dbraw/zinc/25/67/72/184256772.db2.gz XLXHLFJUKGXGKA-UHFFFAOYSA-N 0 0 301.839 3.868 10 0 DHAERN COCc1cc(Cl)nc(Cc2ccc(F)cc2Cl)n1 ZINC000062607127 184245418 /nfs/dbraw/zinc/24/54/18/184245418.db2.gz CKGOEZXRCSNZON-UHFFFAOYSA-N 0 0 301.148 3.660 10 0 DHAERN Cc1cc(Br)ccc1Oc1ncnc2c1CCC2 ZINC000063063169 184269248 /nfs/dbraw/zinc/26/92/48/184269248.db2.gz CPUMQVQMEBQIBG-UHFFFAOYSA-N 0 0 305.175 3.829 10 0 DHAERN O=C(NCc1cccnc1-c1ccc(F)cc1)c1ccsc1 ZINC000065171286 184313553 /nfs/dbraw/zinc/31/35/53/184313553.db2.gz TUOXETNBMBJXBD-UHFFFAOYSA-N 0 0 312.369 3.879 10 0 DHAERN C[C@H](NC(=O)c1ccc(-c2cccnc2)nc1)c1ccccc1 ZINC000065173714 184313912 /nfs/dbraw/zinc/31/39/12/184313912.db2.gz VAAWXZFUEALIJY-AWEZNQCLSA-N 0 0 303.365 3.635 10 0 DHAERN O=C(C1CCC1)N1CCC(CCOCc2ccccc2F)CC1 ZINC000064678009 184302578 /nfs/dbraw/zinc/30/25/78/184302578.db2.gz LRIZIAYBPXTWOJ-UHFFFAOYSA-N 0 0 319.420 3.771 10 0 DHAERN Cc1cc2c(cc1O)NC(=O)C[C@H]2c1cc2ccccc2n1C ZINC000065394204 184334887 /nfs/dbraw/zinc/33/48/87/184334887.db2.gz JIGPJHQWXBYHRF-CQSZACIVSA-N 0 0 306.365 3.666 10 0 DHAERN CCNC(=O)c1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1 ZINC000065344346 184326290 /nfs/dbraw/zinc/32/62/90/184326290.db2.gz YYXTYLAIMKSANT-UHFFFAOYSA-N 0 0 309.287 3.828 10 0 DHAERN C[C@@H](OC(=O)[C@H]1CC(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000066886744 184437792 /nfs/dbraw/zinc/43/77/92/184437792.db2.gz DKHQKBNXFPIJRT-ABAIWWIYSA-N 0 0 313.328 3.556 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@H]2C[C@H]2C2CCCCC2)s1 ZINC000119646693 195008588 /nfs/dbraw/zinc/00/85/88/195008588.db2.gz HEZDZXBTCQKVSF-GJZGRUSLSA-N 0 0 306.475 3.635 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3cc4ccccc4s3)CC[C@H]2O1 ZINC000249693047 257107391 /nfs/dbraw/zinc/10/73/91/257107391.db2.gz NLGYLWXWSBMUOG-MRVWCRGKSA-N 0 0 301.411 3.541 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](OC(=O)c2ccccc2)C1)c1ccccc1 ZINC000504040656 257132568 /nfs/dbraw/zinc/13/25/68/257132568.db2.gz IADWFZWQXGGJQZ-MSOLQXFVSA-N 0 0 323.392 3.585 10 0 DHAERN c1coc(CN2C[C@@H]3O[C@@H](c4nc(C5CC5)cs4)C[C@H]3C2)c1 ZINC000503720302 257207306 /nfs/dbraw/zinc/20/73/06/257207306.db2.gz RIBNMBOEQPLDBB-MAZHCROVSA-N 0 0 316.426 3.576 10 0 DHAERN Fc1ccc(CCNc2cncc(Br)c2)c(F)c1 ZINC000301404278 132141586 /nfs/dbraw/zinc/14/15/86/132141586.db2.gz SMFWVRVUGCKUDO-UHFFFAOYSA-N 0 0 313.145 3.777 10 0 DHAERN CCCN1c2cc(NC(=O)C(CC)CC)ccc2O[C@@H](C)C1=O ZINC000012119128 134501435 /nfs/dbraw/zinc/50/14/35/134501435.db2.gz AIQPWUNHYWWOAD-LBPRGKRZSA-N 0 0 318.417 3.585 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc2[nH]ccc2c1 ZINC000172961782 332820410 /nfs/dbraw/zinc/82/04/10/332820410.db2.gz IYIQPAXTFTWUDP-CQSZACIVSA-N 0 0 308.381 3.503 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@H](C)C1)c1ccc(F)c(Cl)c1 ZINC000170878631 332893778 /nfs/dbraw/zinc/89/37/78/332893778.db2.gz SXSOJCWNCSZJSG-NXEZZACHSA-N 0 0 316.829 3.687 10 0 DHAERN Cc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1F ZINC000109082322 331509530 /nfs/dbraw/zinc/50/95/30/331509530.db2.gz HBNWUVLVVNBRNN-KBPBESRZSA-N 0 0 319.326 3.832 10 0 DHAERN C[C@H](N[C@@H](C)c1c(Cl)ccc(F)c1Cl)c1nncn1C ZINC000037017246 331533154 /nfs/dbraw/zinc/53/31/54/331533154.db2.gz KWRUHAIGDYCRAL-YUMQZZPRSA-N 0 0 317.195 3.673 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCSc3ncccc32)CC(C)(C)C1 ZINC000180753585 331576961 /nfs/dbraw/zinc/57/69/61/331576961.db2.gz ZZZAHZAPCCNHGH-QWHCGFSZSA-N 0 0 304.459 3.983 10 0 DHAERN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)C1 ZINC000072523983 331669489 /nfs/dbraw/zinc/66/94/89/331669489.db2.gz PFVCSNXFVJHUGW-TWMKSMIVSA-N 0 0 318.465 3.587 10 0 DHAERN O=C(/C=C\c1ccc(Cl)nc1)N1CCC[C@H]1c1ccco1 ZINC000255368389 331734980 /nfs/dbraw/zinc/73/49/80/331734980.db2.gz SRPZYEKOIYYJJI-WOLRVDTOSA-N 0 0 302.761 3.705 10 0 DHAERN Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)no1 ZINC000076957822 331957047 /nfs/dbraw/zinc/95/70/47/331957047.db2.gz QLHPZOQMZVOYBE-MSOLQXFVSA-N 0 0 312.413 3.869 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130101442 332022897 /nfs/dbraw/zinc/02/28/97/332022897.db2.gz PPEHXCSQEBHQCL-BLLLJJGKSA-N 0 0 302.805 3.923 10 0 DHAERN Cc1occc1CN(C)C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000181475578 332195974 /nfs/dbraw/zinc/19/59/74/332195974.db2.gz PYCVGRGTGKZTNT-FZKQIMNGSA-N 0 0 312.413 3.971 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)CCCCSC)C12CCCC2 ZINC000150795480 332196029 /nfs/dbraw/zinc/19/60/29/332196029.db2.gz QVTVUAZMMADIIR-HUUCEWRRSA-N 0 0 313.507 3.716 10 0 DHAERN COc1cc(C)c(C(=O)N[C@H](C)c2ccccc2C)cc1OC ZINC000151219786 332563112 /nfs/dbraw/zinc/56/31/12/332563112.db2.gz YHNSJHANTDOXEX-CQSZACIVSA-N 0 0 313.397 3.812 10 0 DHAERN OC[C@H]1CCCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000225271868 332660340 /nfs/dbraw/zinc/66/03/40/332660340.db2.gz KHRIEWPCGXKIDI-LDYMZIIASA-N 0 0 308.731 3.717 10 0 DHAERN C[C@H](NC(=O)Cc1ccsc1)c1cccc(Br)c1 ZINC000027745086 332963638 /nfs/dbraw/zinc/96/36/38/332963638.db2.gz DRCLUVURCJATAQ-JTQLQIEISA-N 0 0 324.243 3.931 10 0 DHAERN COC(=O)c1ccc(N[C@H](C)c2ccc(C)c(F)c2)nc1C ZINC000301815564 332979073 /nfs/dbraw/zinc/97/90/73/332979073.db2.gz DEMWLWFBESJQDY-LLVKDONJSA-N 0 0 302.349 3.797 10 0 DHAERN CCn1ccnc1C[S@@](=O)c1cc(C(C)(C)C)ccc1C ZINC000177291580 332981456 /nfs/dbraw/zinc/98/14/56/332981456.db2.gz UNUXSOADNDFCOM-OAQYLSRUSA-N 0 0 304.459 3.817 10 0 DHAERN C[C@@H](NC(=O)NC[C@H]1CCOc2ccccc21)c1cccs1 ZINC000171759019 333054172 /nfs/dbraw/zinc/05/41/72/333054172.db2.gz SYUILPRACHUQMM-CHWSQXEVSA-N 0 0 316.426 3.675 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@@H]1CCc3ccc(F)cc31)C2 ZINC000177714337 333131675 /nfs/dbraw/zinc/13/16/75/333131675.db2.gz OILODOOCQPYWHL-QGZVFWFLSA-N 0 0 313.420 3.728 10 0 DHAERN Cc1nc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000179052375 333145857 /nfs/dbraw/zinc/14/58/57/333145857.db2.gz KNGGVTGRCSWFMK-NXEZZACHSA-N 0 0 306.353 3.611 10 0 DHAERN CCC[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188058425 333158325 /nfs/dbraw/zinc/15/83/25/333158325.db2.gz CGVLYFKNGZQBNK-NXHRZFHOSA-N 0 0 303.446 3.719 10 0 DHAERN Cc1cnccc1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000188065732 333158681 /nfs/dbraw/zinc/15/86/81/333158681.db2.gz OZIQGWBSBNJKSK-OAHLLOKOSA-N 0 0 304.393 3.963 10 0 DHAERN COC(=O)c1occc1CN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000180737615 333164969 /nfs/dbraw/zinc/16/49/69/333164969.db2.gz DIVOXGMUPHAITK-VIFPVBQESA-N 0 0 311.740 3.710 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000188406903 333246747 /nfs/dbraw/zinc/24/67/47/333246747.db2.gz YOWMMILQYKEUQW-ZWNOBZJWSA-N 0 0 301.308 3.545 10 0 DHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000191019388 333276725 /nfs/dbraw/zinc/27/67/25/333276725.db2.gz UFUYQSBHBFMWOL-YOEHRIQHSA-N 0 0 310.397 3.811 10 0 DHAERN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000188262184 333362429 /nfs/dbraw/zinc/36/24/29/333362429.db2.gz UCFZFQNOHCMILS-NVXWUHKLSA-N 0 0 303.446 3.546 10 0 DHAERN C[C@@H]1CCCCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000188290947 333362942 /nfs/dbraw/zinc/36/29/42/333362942.db2.gz JUIWQXVJVMPOKW-AGIUHOORSA-N 0 0 306.372 3.939 10 0 DHAERN CS(=O)(=O)c1ccc(N[C@H]2CCCc3ccccc32)cc1 ZINC000020554792 333368546 /nfs/dbraw/zinc/36/85/46/333368546.db2.gz KKOGSPPNDLSGGY-KRWDZBQOSA-N 0 0 301.411 3.580 10 0 DHAERN Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000094836510 333459190 /nfs/dbraw/zinc/45/91/90/333459190.db2.gz YPHYWZQRVMCJQV-LBPRGKRZSA-N 0 0 307.390 3.711 10 0 DHAERN Brc1cnc(N[C@H]2CCCc3ccccc32)nc1 ZINC000067119636 335147910 /nfs/dbraw/zinc/14/79/10/335147910.db2.gz GJBKWWMYAYIWIQ-ZDUSSCGKSA-N 0 0 304.191 3.729 10 0 DHAERN COc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1 ZINC000049931991 334361098 /nfs/dbraw/zinc/36/10/98/334361098.db2.gz KVBCQKLQYKDLPA-JTQLQIEISA-N 0 0 305.761 3.545 10 0 DHAERN CCS[C@H]1CCCCN(C(=O)N[C@@H](C)c2ccc(C)o2)C1 ZINC000112131759 334365811 /nfs/dbraw/zinc/36/58/11/334365811.db2.gz PUUVQCBSPVGBCJ-KBPBESRZSA-N 0 0 310.463 3.966 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](c1oc2ccccc2c1C)C(C)C ZINC000112187447 334368626 /nfs/dbraw/zinc/36/86/26/334368626.db2.gz ZIFMJIYAXGQKQP-LRDDRELGSA-N 0 0 303.402 3.837 10 0 DHAERN C[C@@H](NCc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000112341715 334384096 /nfs/dbraw/zinc/38/40/96/334384096.db2.gz UHAGMEBTSOMSEL-MRVPVSSYSA-N 0 0 302.180 3.717 10 0 DHAERN Cc1ccc([C@@](C)(O)CNc2nc(C)nc3scc(C)c32)o1 ZINC000125527215 334802941 /nfs/dbraw/zinc/80/29/41/334802941.db2.gz MJCBJHVQOBHFES-INIZCTEOSA-N 0 0 317.414 3.529 10 0 DHAERN CCc1sc(C(=O)N2CCCc3c(N)cccc32)cc1C ZINC000126797873 334864755 /nfs/dbraw/zinc/86/47/55/334864755.db2.gz IHQBKFMLZOGWKL-UHFFFAOYSA-N 0 0 300.427 3.794 10 0 DHAERN Cn1cc(C2CCN(c3nc(-c4ccccc4)cs3)CC2)cn1 ZINC000126678365 334865299 /nfs/dbraw/zinc/86/52/99/334865299.db2.gz NGARYKXEYALHAT-UHFFFAOYSA-N 0 0 324.453 3.928 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000250107071 334876087 /nfs/dbraw/zinc/87/60/87/334876087.db2.gz SGDHMDUWSPFRRF-UFYCRDLUSA-N 0 0 320.436 3.875 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)s1 ZINC000072734389 334884235 /nfs/dbraw/zinc/88/42/35/334884235.db2.gz KIEINPUCQLZXTL-QWHCGFSZSA-N 0 0 304.419 3.558 10 0 DHAERN Cc1cc(OCC(=O)N2CCC[C@@H]2c2ccco2)ccc1Cl ZINC000116041240 335874207 /nfs/dbraw/zinc/87/42/07/335874207.db2.gz DXDWVCVWJDRNJG-OAHLLOKOSA-N 0 0 319.788 3.984 10 0 DHAERN O=C(NCC1(c2ccccc2)CC1)N1CCC[C@H]1c1ccco1 ZINC000116414924 335893487 /nfs/dbraw/zinc/89/34/87/335893487.db2.gz IIOUFAJTELZBNB-INIZCTEOSA-N 0 0 310.397 3.858 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ncc(F)cc1F ZINC000192129978 336019593 /nfs/dbraw/zinc/01/95/93/336019593.db2.gz UZSFRUCGMYHPLT-SECBINFHSA-N 0 0 310.731 3.846 10 0 DHAERN O=C1N[C@@H](c2ccccc2)C(=O)N1c1ccc(Cl)cc1Cl ZINC000192412036 336030764 /nfs/dbraw/zinc/03/07/64/336030764.db2.gz UWMHPCCLVBTUMJ-ZDUSSCGKSA-N 0 0 321.163 3.791 10 0 DHAERN C[C@H](CC1CCCCC1)c1nc([C@H]2CN3CCC[C@H]3CO2)no1 ZINC000329703525 336060821 /nfs/dbraw/zinc/06/08/21/336060821.db2.gz IIXOJJDSZHWLGB-VNQPRFMTSA-N 0 0 319.449 3.679 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCC[C@@H](OCC2CC2)C1 ZINC000333012651 336196526 /nfs/dbraw/zinc/19/65/26/336196526.db2.gz GDQVOYKQQIMRTE-MRXNPFEDSA-N 0 0 313.401 3.591 10 0 DHAERN Cc1cc(N[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1F ZINC000103164759 336238071 /nfs/dbraw/zinc/23/80/71/336238071.db2.gz BOOQFZTZSHPRDW-KGLIPLIRSA-N 0 0 300.377 3.812 10 0 DHAERN COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)s2)c1O ZINC000042373330 336239854 /nfs/dbraw/zinc/23/98/54/336239854.db2.gz OLDLATBFTDYXFW-QMMMGPOBSA-N 0 0 311.790 3.607 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000103360775 336240317 /nfs/dbraw/zinc/24/03/17/336240317.db2.gz HHDIILQSWMLTLC-CXAGYDPISA-N 0 0 317.816 3.828 10 0 DHAERN COC[C@H](C)C(=O)NCC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000103388840 336241318 /nfs/dbraw/zinc/24/13/18/336241318.db2.gz YBWDIQSLRCVEDU-JTQLQIEISA-N 0 0 318.244 3.670 10 0 DHAERN Cc1cc(NC(=O)N[C@H](C)c2ccc3ccccc3c2)n(C)n1 ZINC000043432896 336254400 /nfs/dbraw/zinc/25/44/00/336254400.db2.gz NPDNMMUINDVNJY-CYBMUJFWSA-N 0 0 308.385 3.764 10 0 DHAERN C[C@@H]1C[C@H]1[C@@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 ZINC000301307803 336300144 /nfs/dbraw/zinc/30/01/44/336300144.db2.gz WAOXPZMMLQFJCO-YVLXSGLVSA-N 0 0 315.804 3.643 10 0 DHAERN CC(C)CC[C@@](C)(O)CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000301335971 336301317 /nfs/dbraw/zinc/30/13/17/336301317.db2.gz GLKVQJSPBZNJMH-MRXNPFEDSA-N 0 0 324.494 3.687 10 0 DHAERN CN(c1ncnc2c3ccccc3oc21)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000301379236 336303508 /nfs/dbraw/zinc/30/35/08/336303508.db2.gz XOTWJDDGFXFCEO-JCURWCKSSA-N 0 0 323.396 3.626 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000301412304 336304988 /nfs/dbraw/zinc/30/49/88/336304988.db2.gz APGVEZHICCFMMB-SWLSCSKDSA-N 0 0 321.852 3.962 10 0 DHAERN Cc1nc(CNc2nn3cc(C(C)(C)C)nc3s2)sc1C ZINC000301418452 336305412 /nfs/dbraw/zinc/30/54/12/336305412.db2.gz CWHOVTCMZKCXPC-UHFFFAOYSA-N 0 0 321.475 3.774 10 0 DHAERN CCc1cc(N2C[C@@H]3CC=CC[C@@H]3C2)nc(-c2ccccn2)n1 ZINC000301423810 336305791 /nfs/dbraw/zinc/30/57/91/336305791.db2.gz OKAVGSSRZHEWMY-GASCZTMLSA-N 0 0 306.413 3.503 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1cnn(Cc2ccccc2)c(=O)c1Cl ZINC000301451597 336307627 /nfs/dbraw/zinc/30/76/27/336307627.db2.gz QHYMTWZGXSMHLE-ZIAGYGMSSA-N 0 0 317.820 3.546 10 0 DHAERN C[C@H](Cc1cccs1)N(C)c1nccc(C(F)(F)F)n1 ZINC000301474799 336309115 /nfs/dbraw/zinc/30/91/15/336309115.db2.gz AJTXKNKTHKGMGD-SECBINFHSA-N 0 0 301.337 3.624 10 0 DHAERN CCS[C@@H]1CC[C@]1(O)CNc1ccnc2cc(Cl)ccc21 ZINC000301497529 336310498 /nfs/dbraw/zinc/31/04/98/336310498.db2.gz UYQQXAOOMSNEQJ-CVEARBPZSA-N 0 0 322.861 3.947 10 0 DHAERN CSc1ccc(NCc2csc(-c3ccccc3)n2)nn1 ZINC000301544294 336313728 /nfs/dbraw/zinc/31/37/28/336313728.db2.gz SUXFKCKGFIFVRE-UHFFFAOYSA-N 0 0 314.439 3.934 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccnc3ccsc32)C1 ZINC000301579860 336316321 /nfs/dbraw/zinc/31/63/21/336316321.db2.gz UKSBTZDKMHJFJG-ZBUHCNDUSA-N 0 0 308.472 3.788 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1CNc1c(F)c(F)nc(F)c1F ZINC000301583169 336316393 /nfs/dbraw/zinc/31/63/93/336316393.db2.gz AFKLYKDYKVPLCQ-HQJQHLMTSA-N 0 0 306.303 3.501 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301590019 336316832 /nfs/dbraw/zinc/31/68/32/336316832.db2.gz XGAHVDMEYYMAFB-QLEMLULZSA-N 0 0 320.433 3.866 10 0 DHAERN C[C@@H](CO[C@@H]1CCOC1)Nc1ccc2c(Cl)ccnc2c1F ZINC000301589501 336316875 /nfs/dbraw/zinc/31/68/75/336316875.db2.gz XDJREEVUGOAPSQ-WDEREUQCSA-N 0 0 324.783 3.633 10 0 DHAERN CC1(C)C[C@H](Nc2ccc3nccnc3n2)c2ccccc2O1 ZINC000301627585 336319293 /nfs/dbraw/zinc/31/92/93/336319293.db2.gz BIQLCBKAUZDURJ-AWEZNQCLSA-N 0 0 306.369 3.739 10 0 DHAERN c1ccc2c(c1)CCC[C@]21C[C@@H]1CNc1ccc2nccnc2n1 ZINC000301653888 336321078 /nfs/dbraw/zinc/32/10/78/336321078.db2.gz RJHMUFUFMXJNPI-FOIQADDNSA-N 0 0 316.408 3.731 10 0 DHAERN CSc1nc2ncnc(N[C@H](C)c3ccc(C)o3)c2s1 ZINC000301715554 336325292 /nfs/dbraw/zinc/32/52/92/336325292.db2.gz GQKHWNIHOIAOCP-MRVPVSSYSA-N 0 0 306.416 3.883 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2ncnc3sc4c(c32)CCC4)C1 ZINC000301759604 336328175 /nfs/dbraw/zinc/32/81/75/336328175.db2.gz FPNJCIZHTZODNW-WDEREUQCSA-N 0 0 303.431 3.550 10 0 DHAERN COCc1cc(N2CC[C@@H]3CCCC[C@H]32)nc(C(C)(C)C)n1 ZINC000301773396 336328906 /nfs/dbraw/zinc/32/89/06/336328906.db2.gz FLIBEHMUSBUHNZ-DZGCQCFKSA-N 0 0 303.450 3.689 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000301775873 336329037 /nfs/dbraw/zinc/32/90/37/336329037.db2.gz LGQDCWFYNOEFTM-JKSUJKDBSA-N 0 0 312.417 3.525 10 0 DHAERN CCCOc1ccc2c(c1)CCN(c1ccc(SC)nn1)C2 ZINC000301779772 336329313 /nfs/dbraw/zinc/32/93/13/336329313.db2.gz MSJUFAMBHAMFMI-UHFFFAOYSA-N 0 0 315.442 3.550 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 ZINC000301803421 336331239 /nfs/dbraw/zinc/33/12/39/336331239.db2.gz XIGZKENFJBTNBC-HIFRSBDPSA-N 0 0 317.364 3.778 10 0 DHAERN Cc1nc(C)c(C)c(N2CC[C@@H](Oc3cccc(Cl)c3)C2)n1 ZINC000301823123 336332330 /nfs/dbraw/zinc/33/23/30/336332330.db2.gz CGGGAZBWUBHHAU-MRXNPFEDSA-N 0 0 317.820 3.713 10 0 DHAERN COCc1cc(NCc2nc(C)sc2C)nc(C(C)(C)C)n1 ZINC000301828329 336332775 /nfs/dbraw/zinc/33/27/75/336332775.db2.gz GDKVYSDXOSVBKO-UHFFFAOYSA-N 0 0 320.462 3.606 10 0 DHAERN CSc1ccc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)nn1 ZINC000301848594 336333899 /nfs/dbraw/zinc/33/38/99/336333899.db2.gz VNSVIDKHTAXXRM-CYBMUJFWSA-N 0 0 321.833 3.510 10 0 DHAERN c1ccc2[nH]c(NCCCc3nc4c(s3)CCCC4)nc2c1 ZINC000301899824 336337115 /nfs/dbraw/zinc/33/71/15/336337115.db2.gz YMGDTQCZXCFVIR-UHFFFAOYSA-N 0 0 312.442 3.943 10 0 DHAERN Cc1cc(NC[C@H](O)c2ccc(Cl)c(F)c2)nc(C(C)C)n1 ZINC000301901259 336337341 /nfs/dbraw/zinc/33/73/41/336337341.db2.gz ZZNMANBWEXQRRW-AWEZNQCLSA-N 0 0 323.799 3.846 10 0 DHAERN COc1cccc(OCCNc2cc(Cl)nc(C3CC3)n2)c1 ZINC000301910182 336337723 /nfs/dbraw/zinc/33/77/23/336337723.db2.gz FYHLINKQTVOBSO-UHFFFAOYSA-N 0 0 319.792 3.507 10 0 DHAERN CC(C)COc1ncc(CNc2cccc(F)n2)cc1Cl ZINC000301923976 336338252 /nfs/dbraw/zinc/33/82/52/336338252.db2.gz KPLXAMKUFGPNOH-UHFFFAOYSA-N 0 0 309.772 3.916 10 0 DHAERN Cc1ccc([C@@H](C)Nc2nc(C(C)C)nc(N(C)C)n2)cc1F ZINC000301924950 336338318 /nfs/dbraw/zinc/33/83/18/336338318.db2.gz GQLSNMSROWPAJD-GFCCVEGCSA-N 0 0 317.412 3.682 10 0 DHAERN CSc1nc2ncnc(N3CCC[C@@H]4CCCC[C@@H]43)c2s1 ZINC000301925915 336338436 /nfs/dbraw/zinc/33/84/36/336338436.db2.gz JDVISBGDNNTORA-QWRGUYRKSA-N 0 0 320.487 3.967 10 0 DHAERN CC(C)c1nn(C)cc1CN(C)c1cc(Cl)nc(C2CC2)n1 ZINC000301965499 336340267 /nfs/dbraw/zinc/34/02/67/336340267.db2.gz OAHFHTVBWSJVRE-UHFFFAOYSA-N 0 0 319.840 3.501 10 0 DHAERN OCCCCCCNc1ccc2cc(Br)ccc2n1 ZINC000302015840 336343357 /nfs/dbraw/zinc/34/33/57/336343357.db2.gz LQPWSSRMVUQRQP-UHFFFAOYSA-N 0 0 323.234 3.962 10 0 DHAERN Cc1nc2c(c(NC[C@H](O)c3ccc(Cl)s3)n1)CCCC2 ZINC000302092212 336348080 /nfs/dbraw/zinc/34/80/80/336348080.db2.gz MPUMYLQQSGANDZ-LBPRGKRZSA-N 0 0 323.849 3.524 10 0 DHAERN C[C@@H](Nc1nnc(-c2ccccc2Cl)s1)[C@H]1CCCO1 ZINC000302158212 336351453 /nfs/dbraw/zinc/35/14/53/336351453.db2.gz NQRCDGFDMGKFLU-BXKDBHETSA-N 0 0 309.822 3.838 10 0 DHAERN C[C@H](Nc1nnc(-c2ccccc2Cl)s1)[C@@H]1CCCO1 ZINC000302158214 336351402 /nfs/dbraw/zinc/35/14/02/336351402.db2.gz NQRCDGFDMGKFLU-CABZTGNLSA-N 0 0 309.822 3.838 10 0 DHAERN Cc1cc(NC[C@@](C)(O)c2cccc(Cl)c2)nc(C(C)C)n1 ZINC000302159880 336351593 /nfs/dbraw/zinc/35/15/93/336351593.db2.gz GTHMKEDWNKGNAA-QGZVFWFLSA-N 0 0 319.836 3.881 10 0 DHAERN c1ccc(-c2nnc(N[C@@H]3CCOc4ccccc43)s2)nc1 ZINC000302161694 336351626 /nfs/dbraw/zinc/35/16/26/336351626.db2.gz PPHAEEOYCZCCQD-GFCCVEGCSA-N 0 0 310.382 3.536 10 0 DHAERN Cc1cncc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000302214017 336354209 /nfs/dbraw/zinc/35/42/09/336354209.db2.gz IDMQFXYKMOSQCH-MRXNPFEDSA-N 0 0 319.412 3.559 10 0 DHAERN Cc1ccccc1[C@H](C)Nc1ccc2nnc(C(C)(C)C)n2n1 ZINC000302287894 336356722 /nfs/dbraw/zinc/35/67/22/336356722.db2.gz KLXMTYAFSDNDBD-ZDUSSCGKSA-N 0 0 309.417 3.903 10 0 DHAERN CC(C)C[C@H](CCO)CNc1ccnc2c(F)cc(F)cc12 ZINC000302394351 336358197 /nfs/dbraw/zinc/35/81/97/336358197.db2.gz DSGSCLHIWVTJFE-LBPRGKRZSA-N 0 0 308.372 3.970 10 0 DHAERN CC(C)(C)OC(=O)CCNc1ccnc2c(F)cc(F)cc12 ZINC000302546495 336361365 /nfs/dbraw/zinc/36/13/65/336361365.db2.gz UWDIGKBVNRZXNE-UHFFFAOYSA-N 0 0 308.328 3.657 10 0 DHAERN CC(C)(C)[C@H]1CCC[C@@H](Nc2nn3c(nccc3=O)s2)CC1 ZINC000302569081 336361929 /nfs/dbraw/zinc/36/19/29/336361929.db2.gz XYYZZMSLJIVCOX-NWDGAFQWSA-N 0 0 320.462 3.558 10 0 DHAERN COc1cccc2c1ncc(C)c2NC[C@H](O)Cc1ccccc1 ZINC000302692140 336365174 /nfs/dbraw/zinc/36/51/74/336365174.db2.gz ZUVHAOSNNBZQQF-MRXNPFEDSA-N 0 0 322.408 3.567 10 0 DHAERN Cc1cc(N(C)Cc2ccc(C)c(F)c2)nc(-c2cccnc2)n1 ZINC000302728181 336366781 /nfs/dbraw/zinc/36/67/81/336366781.db2.gz QIZHEAIHZUHTGU-UHFFFAOYSA-N 0 0 322.387 3.931 10 0 DHAERN Cc1cc(N(CCO)Cc2cccc(Cl)c2)nc(C(C)C)n1 ZINC000302726916 336366793 /nfs/dbraw/zinc/36/67/93/336366793.db2.gz OGXDAZOANGURCW-UHFFFAOYSA-N 0 0 319.836 3.561 10 0 DHAERN CCc1nnc(N2CC[C@H](C)C[C@H]2c2ccc(C)o2)nc1CC ZINC000302753487 336367931 /nfs/dbraw/zinc/36/79/31/336367931.db2.gz VCYWNUJJZYQKPR-LRDDRELGSA-N 0 0 314.433 3.875 10 0 DHAERN CC(C)c1nsc(Oc2ccc3c(c2)OC(=O)C[C@H]3C)n1 ZINC000302812787 336370226 /nfs/dbraw/zinc/37/02/26/336370226.db2.gz HMQSTCXYNIIFLH-SECBINFHSA-N 0 0 304.371 3.866 10 0 DHAERN CCC[C@]1(COC)CCCN1c1ncnc2sc(C)cc21 ZINC000302827868 336371030 /nfs/dbraw/zinc/37/10/30/336371030.db2.gz NTUKHPGZCIEXSK-MRXNPFEDSA-N 0 0 305.447 3.785 10 0 DHAERN CCO[C@@H]1CCCN(c2cc(C(C)(C)C)nc(C(C)C)n2)C1 ZINC000302888278 336373447 /nfs/dbraw/zinc/37/34/47/336373447.db2.gz MSKUFFODKHYTMM-CQSZACIVSA-N 0 0 305.466 3.903 10 0 DHAERN Cc1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116042785 336830459 /nfs/dbraw/zinc/83/04/59/336830459.db2.gz DAXHOIMSUIPMDQ-KRWDZBQOSA-N 0 0 321.380 3.751 10 0 DHAERN O=C(NCc1cc(F)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116430091 336840281 /nfs/dbraw/zinc/84/02/81/336840281.db2.gz UHGVXMLDENGZKB-CQSZACIVSA-N 0 0 306.312 3.605 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N1Cc2ccccc2C1 ZINC000119275129 336883878 /nfs/dbraw/zinc/88/38/78/336883878.db2.gz HBELSSIGDAVOOD-GOSISDBHSA-N 0 0 310.372 3.929 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)O1 ZINC000121849848 336981527 /nfs/dbraw/zinc/98/15/27/336981527.db2.gz FSTDSZHHZAEFAP-XWIAVFTESA-N 0 0 313.372 3.599 10 0 DHAERN CC[C@@H](NC(=O)N[C@H](C)c1ccc(C)o1)c1c(C)noc1C ZINC000122406742 337008003 /nfs/dbraw/zinc/00/80/03/337008003.db2.gz IQZWHJJOUNNGDR-ZWNOBZJWSA-N 0 0 305.378 3.704 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000122782693 337023904 /nfs/dbraw/zinc/02/39/04/337023904.db2.gz DTHJLXAQWJLUHZ-OAHLLOKOSA-N 0 0 323.362 3.791 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H]2CCOC[C@H]2C)cc1 ZINC000193838873 337079556 /nfs/dbraw/zinc/07/95/56/337079556.db2.gz OHRJASQDOPKWGL-RVKKMQEKSA-N 0 0 303.446 3.735 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCOC[C@@H]1C)c1ccc(C(C)(C)C)cc1 ZINC000193971119 337080897 /nfs/dbraw/zinc/08/08/97/337080897.db2.gz GQBGWMBRFFAMGF-ZQIUZPCESA-N 0 0 303.446 3.834 10 0 DHAERN C[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000171348250 337086276 /nfs/dbraw/zinc/08/62/76/337086276.db2.gz KXZATCIIFOMARO-HLLBOEOZSA-N 0 0 317.477 3.936 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc(-c3nccs3)cc2)CCS1 ZINC000171362301 337086302 /nfs/dbraw/zinc/08/63/02/337086302.db2.gz OWOZMEQMGYEUSL-NSHDSACASA-N 0 0 319.455 3.779 10 0 DHAERN Cc1[nH]c2c(cccc2C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1C ZINC000171022618 337086600 /nfs/dbraw/zinc/08/66/00/337086600.db2.gz BRQUQMPCICBESV-IAGOWNOFSA-N 0 0 312.413 3.568 10 0 DHAERN CCCn1ccc2cc(NC(=O)N[C@@H](C)[C@H]3CCCO3)ccc21 ZINC000171406117 337087302 /nfs/dbraw/zinc/08/73/02/337087302.db2.gz HLYNXJJIACQTSV-SUMWQHHRSA-N 0 0 315.417 3.740 10 0 DHAERN Cc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)c1 ZINC000171983672 337090591 /nfs/dbraw/zinc/09/05/91/337090591.db2.gz SAAUBVHKTWEBIT-HKUYNNGSSA-N 0 0 322.408 3.543 10 0 DHAERN C[C@H](NC(=O)Nc1cnn(-c2ccccc2)c1)c1cccs1 ZINC000172641536 337129173 /nfs/dbraw/zinc/12/91/73/337129173.db2.gz DRWKZWGROMMXMI-LBPRGKRZSA-N 0 0 312.398 3.817 10 0 DHAERN CCc1ccccc1CNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000172695061 337129701 /nfs/dbraw/zinc/12/97/01/337129701.db2.gz UPQXRLYDLVTJHP-QGZVFWFLSA-N 0 0 310.397 3.572 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2c(F)cccc2F)o1 ZINC000172593886 337130225 /nfs/dbraw/zinc/13/02/25/337130225.db2.gz IPFKFAHDWDBXMN-GHMZBOCLSA-N 0 0 308.328 3.544 10 0 DHAERN CC/C(=C\C(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000172856410 337131567 /nfs/dbraw/zinc/13/15/67/337131567.db2.gz FTONRTXOCOGQJL-QIPHDZALSA-N 0 0 323.440 3.538 10 0 DHAERN CCCCCCOCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173072353 337131926 /nfs/dbraw/zinc/13/19/26/337131926.db2.gz PWXRKOBMNLNGMI-HNNXBMFYSA-N 0 0 324.490 3.754 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 ZINC000173411563 337135069 /nfs/dbraw/zinc/13/50/69/337135069.db2.gz LTSOWDVJBRTFHY-LBPRGKRZSA-N 0 0 306.456 3.841 10 0 DHAERN CSCCCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173429479 337135295 /nfs/dbraw/zinc/13/52/95/337135295.db2.gz WHBNASNKBQXUKD-CYBMUJFWSA-N 0 0 312.504 3.691 10 0 DHAERN CC(C)[C@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000173631813 337136940 /nfs/dbraw/zinc/13/69/40/337136940.db2.gz LNWHMJKTRZXBFZ-SFHVURJKSA-N 0 0 311.429 3.556 10 0 DHAERN Cc1ccc(F)cc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173934749 337137602 /nfs/dbraw/zinc/13/76/02/337137602.db2.gz AJENLMRVMPCZMB-AWEZNQCLSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1ccccc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173916064 337137618 /nfs/dbraw/zinc/13/76/18/337137618.db2.gz CZZAOUBGIMPXIM-OAHLLOKOSA-N 0 0 305.381 3.672 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@H]3CC=CCC3)C2)n1 ZINC000174371146 337141157 /nfs/dbraw/zinc/14/11/57/337141157.db2.gz JQXUOVMJWZNDFS-LSDHHAIUSA-N 0 0 319.474 3.697 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC000175384206 337145650 /nfs/dbraw/zinc/14/56/50/337145650.db2.gz GRKVVUCBLMOFIE-HNNXBMFYSA-N 0 0 305.466 3.681 10 0 DHAERN O=C(C/C=C/c1cccc(F)c1)N[C@H]1CCOc2ccccc21 ZINC000175764095 337149112 /nfs/dbraw/zinc/14/91/12/337149112.db2.gz OUMFEKAUQHINNT-YXMMZVCTSA-N 0 0 311.356 3.869 10 0 DHAERN C[C@H](N[C@@H]1CCCCc2ccccc21)c1nnc2n1CCCC2 ZINC000177461277 337156187 /nfs/dbraw/zinc/15/61/87/337156187.db2.gz BHMKCNFXGQYMGL-WMLDXEAASA-N 0 0 310.445 3.733 10 0 DHAERN CCCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCn2ncnc21 ZINC000177531446 337156508 /nfs/dbraw/zinc/15/65/08/337156508.db2.gz PZTYFFUCMUGNQB-PBHICJAKSA-N 0 0 306.454 3.616 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(Br)cc2F)o1 ZINC000220939453 337167104 /nfs/dbraw/zinc/16/71/04/337167104.db2.gz DXMCKVSAZSJRDG-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC000178815447 337167260 /nfs/dbraw/zinc/16/72/60/337167260.db2.gz QWFJFBHJBQYJSV-MRXNPFEDSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180228869 337175468 /nfs/dbraw/zinc/17/54/68/337175468.db2.gz DHBNWXABEKVEEH-HUBLWGQQSA-N 0 0 306.450 3.801 10 0 DHAERN Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180528822 337176206 /nfs/dbraw/zinc/17/62/06/337176206.db2.gz NWKJAVLCZPKLFF-YWPYICTPSA-N 0 0 306.450 3.974 10 0 DHAERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657054 337177153 /nfs/dbraw/zinc/17/71/53/337177153.db2.gz KDYGNXJUIZHJNJ-SWLSCSKDSA-N 0 0 302.397 3.555 10 0 DHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)c1cccs1 ZINC000180755998 337177724 /nfs/dbraw/zinc/17/77/24/337177724.db2.gz VWWXYLDMKQQNPG-ZWNOBZJWSA-N 0 0 318.446 3.696 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H](C)c1cccs1 ZINC000180755943 337177783 /nfs/dbraw/zinc/17/77/83/337177783.db2.gz VWWXYLDMKQQNPG-GWCFXTLKSA-N 0 0 318.446 3.696 10 0 DHAERN O=C(CCc1ccc2[nH]ccc2c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180786024 337177850 /nfs/dbraw/zinc/17/78/50/337177850.db2.gz RVVWEQYYUOXJBQ-SFHVURJKSA-N 0 0 322.412 3.577 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCSc3ccncc32)CC(C)(C)C1 ZINC000180987692 337179013 /nfs/dbraw/zinc/17/90/13/337179013.db2.gz RXUAUPCQCVMYIU-STQMWFEESA-N 0 0 304.459 3.983 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cnc(C)nc2C)o1 ZINC000181090133 337179699 /nfs/dbraw/zinc/17/96/99/337179699.db2.gz AEHQHHZCXMQQKU-INIZCTEOSA-N 0 0 313.401 3.616 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC[C@@H]1CC[C@H](C)O1)[C@H](C)C2 ZINC000181252408 337180541 /nfs/dbraw/zinc/18/05/41/337180541.db2.gz TWGCNWFUZOARQQ-PGSNGQOISA-N 0 0 301.430 3.692 10 0 DHAERN Cc1oncc1CN1C[C@H](c2ccccc2Cl)OCC1(C)C ZINC000181698240 337183717 /nfs/dbraw/zinc/18/37/17/337183717.db2.gz UBFXDYNOSMNPSS-MRXNPFEDSA-N 0 0 320.820 3.989 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC(C)(C)C1 ZINC000183036297 337191035 /nfs/dbraw/zinc/19/10/35/337191035.db2.gz OJWWSDJXZPWGIL-GHMZBOCLSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@@H](CCC(C)(C)C)NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183005841 337191101 /nfs/dbraw/zinc/19/11/01/337191101.db2.gz PENATQWNUFCFDD-DZGCQCFKSA-N 0 0 306.454 3.861 10 0 DHAERN C[C@@H](N[C@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343145 337191422 /nfs/dbraw/zinc/19/14/22/337191422.db2.gz VKGHCQMCUREBSA-ZBFHGGJFSA-N 0 0 311.429 3.907 10 0 DHAERN Cc1c2ccccc2oc1[C@H](C)NCc1nnc(C2CC2)n1C ZINC000183535467 337192152 /nfs/dbraw/zinc/19/21/52/337192152.db2.gz NSRIRZYFYBCDLY-LBPRGKRZSA-N 0 0 310.401 3.598 10 0 DHAERN Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H](C)CC(C)(C)C3)CC2)n1 ZINC000183274461 337192677 /nfs/dbraw/zinc/19/26/77/337192677.db2.gz WYPGBHFYZJWZML-DOMZBBRYSA-N 0 0 319.449 3.546 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cn(-c3ccccc3)nc2C)o1 ZINC000183698468 337193033 /nfs/dbraw/zinc/19/30/33/337193033.db2.gz RZSMONBWGOBGQC-CQSZACIVSA-N 0 0 324.384 3.965 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2ccc3oc(=O)n(C)c3c2)CC(C)(C)C1 ZINC000183702276 337193061 /nfs/dbraw/zinc/19/30/61/337193061.db2.gz XXUAHEGYWYSUSO-VXGBXAGGSA-N 0 0 316.401 3.532 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)NCCCCNc2ccccn2)CC(C)(C)C1 ZINC000183662941 337194061 /nfs/dbraw/zinc/19/40/61/337194061.db2.gz PLTNCSGLMJKKLT-HZPDHXFCSA-N 0 0 317.477 3.852 10 0 DHAERN O=C(c1scnc1C1CCCC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000184066361 337195941 /nfs/dbraw/zinc/19/59/41/337195941.db2.gz YZUIPNBGISDQSR-KGLIPLIRSA-N 0 0 320.458 3.584 10 0 DHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@H]1C[C@H]1C1CCCCC1 ZINC000185396783 337204740 /nfs/dbraw/zinc/20/47/40/337204740.db2.gz UQPPBWKKOFQWGX-ZOBUZTSGSA-N 0 0 315.413 3.657 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000185779905 337251199 /nfs/dbraw/zinc/25/11/99/337251199.db2.gz RHWORBPSTJPJNQ-HNNXBMFYSA-N 0 0 323.396 3.551 10 0 DHAERN C/C=C/C[C@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000185916939 337251601 /nfs/dbraw/zinc/25/16/01/337251601.db2.gz BGODOUNDYXLPLC-DIMNXIJWSA-N 0 0 312.413 3.527 10 0 DHAERN CSCCCCCNC(=O)N[C@@H]1CCCc2ccccc21 ZINC000186198576 337254335 /nfs/dbraw/zinc/25/43/35/337254335.db2.gz GNNVJGBBZSNDNI-MRXNPFEDSA-N 0 0 306.475 3.897 10 0 DHAERN CC(=O)Nc1ccc(C)c(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000187054547 337261568 /nfs/dbraw/zinc/26/15/68/337261568.db2.gz ZECUVKMDKLEQCJ-INIZCTEOSA-N 0 0 312.369 3.524 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(CC)nc21 ZINC000188347753 337271947 /nfs/dbraw/zinc/27/19/47/337271947.db2.gz FNRCNQNTHUXGEQ-KBXCAEBGSA-N 0 0 320.481 3.788 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@@H]1CCCn2nc(CC)nc21 ZINC000188347701 337271989 /nfs/dbraw/zinc/27/19/89/337271989.db2.gz FNRCNQNTHUXGEQ-RDTXWAMCSA-N 0 0 320.481 3.788 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cn3ccnc3s2)o1 ZINC000188552567 337273978 /nfs/dbraw/zinc/27/39/78/337273978.db2.gz ALCASFCXJJIYPG-GFCCVEGCSA-N 0 0 315.398 3.665 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000189503139 337280064 /nfs/dbraw/zinc/28/00/64/337280064.db2.gz AFQYWEYGWBKBPM-QUCCMNQESA-N 0 0 313.441 3.721 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000189647779 337281092 /nfs/dbraw/zinc/28/10/92/337281092.db2.gz NKMAXYNHGVYOMG-MRXNPFEDSA-N 0 0 314.429 3.649 10 0 DHAERN COc1ccnc(CN(C)[C@H](C)c2ccc(Cl)cc2)c1OC ZINC000190315075 337286638 /nfs/dbraw/zinc/28/66/38/337286638.db2.gz LABKCTCDJZTQGL-GFCCVEGCSA-N 0 0 320.820 3.945 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190423752 337287685 /nfs/dbraw/zinc/28/76/85/337287685.db2.gz ZCUSWNOBNXFFDZ-WCBMZHEXSA-N 0 0 305.271 3.598 10 0 DHAERN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000191399694 337296560 /nfs/dbraw/zinc/29/65/60/337296560.db2.gz GEHNZDZRZFXYNV-OLMNPRSZSA-N 0 0 317.429 3.564 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191698613 337300580 /nfs/dbraw/zinc/30/05/80/337300580.db2.gz ZWYCECUUGIBQMA-RYUDHWBXSA-N 0 0 307.356 3.619 10 0 DHAERN Cc1nc2cc(NC(=O)N[C@H]3CCOc4ccccc43)ccc2o1 ZINC000193122927 337308463 /nfs/dbraw/zinc/30/84/63/337308463.db2.gz PTLRWASFFKZXRR-AWEZNQCLSA-N 0 0 323.352 3.782 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)N[C@H](C)c2cccs2)c1C ZINC000192945256 337308623 /nfs/dbraw/zinc/30/86/23/337308623.db2.gz VUKGDZSLPGURQY-LLVKDONJSA-N 0 0 317.414 3.898 10 0 DHAERN CCOC(=O)[C@@H](NCc1ccc(C)o1)c1ccc(Cl)cc1 ZINC000192942436 337308632 /nfs/dbraw/zinc/30/86/32/337308632.db2.gz OWELJFHVTZONKP-HNNXBMFYSA-N 0 0 307.777 3.635 10 0 DHAERN CCOC(=O)[C@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000192944759 337308675 /nfs/dbraw/zinc/30/86/75/337308675.db2.gz USGFWFRBZHZXPF-MLGOLLRUSA-N 0 0 318.804 3.690 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCc3[nH]c4ccccc4c3C2)o1 ZINC000193264301 337309708 /nfs/dbraw/zinc/30/97/08/337309708.db2.gz YQLUHYRMWGIEQO-ZDUSSCGKSA-N 0 0 323.396 3.898 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H]1CCc2cccc(Br)c21 ZINC000584600977 337370832 /nfs/dbraw/zinc/37/08/32/337370832.db2.gz DPLVFRUWOVZHTL-LLVKDONJSA-N 0 0 312.207 3.961 10 0 DHAERN CCOP(=O)(OCC)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000584601771 337370994 /nfs/dbraw/zinc/37/09/94/337370994.db2.gz CDKABUYECAMXHY-LLVKDONJSA-N 0 0 312.224 3.962 10 0 DHAERN Nc1c(Br)cc(Cl)cc1C(=O)c1ccccc1 ZINC000584605069 337371416 /nfs/dbraw/zinc/37/14/16/337371416.db2.gz KJZQBXJABHLTPW-UHFFFAOYSA-N 0 0 310.578 3.916 10 0 DHAERN Fc1cc2cc(Br)ncc2cc1Br ZINC000584606164 337371637 /nfs/dbraw/zinc/37/16/37/337371637.db2.gz IQFKOIBAKUVFLU-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN Cn1cc(-c2c[nH]c3nccc(-c4cccc(F)c4F)c23)cn1 ZINC000584620140 337372030 /nfs/dbraw/zinc/37/20/30/337372030.db2.gz MHDDLMRWZPRPRZ-UHFFFAOYSA-N 0 0 310.307 3.860 10 0 DHAERN CCOC(=O)C1=C(Cc2cc(OC)cc(OC)c2)CCCC1 ZINC000584616634 337372860 /nfs/dbraw/zinc/37/28/60/337372860.db2.gz SNRIHROUGSNUCO-UHFFFAOYSA-N 0 0 304.386 3.680 10 0 DHAERN Cn1c2ccc(Cl)cc2c(-c2ccccc2F)c1C(N)=O ZINC000584618366 337373169 /nfs/dbraw/zinc/37/31/69/337373169.db2.gz GSSILVWVMPAHPO-UHFFFAOYSA-N 0 0 302.736 3.737 10 0 DHAERN Clc1cc(Cl)cc(Nc2ccccc2-c2nn[nH]n2)c1 ZINC000584592563 337373618 /nfs/dbraw/zinc/37/36/18/337373618.db2.gz LJDZERZWWZOYJW-UHFFFAOYSA-N 0 0 306.156 3.917 10 0 DHAERN COC(=O)c1cccc(N2CCc3c(cnc4ccccc43)C2)c1 ZINC000584597676 337374419 /nfs/dbraw/zinc/37/44/19/337374419.db2.gz XQVOQOFITQKHQX-UHFFFAOYSA-N 0 0 318.376 3.584 10 0 DHAERN COc1ccc(C(=O)c2ccc(Cl)cc2)c(CC(C)=O)c1 ZINC000584627924 337376334 /nfs/dbraw/zinc/37/63/34/337376334.db2.gz SWRQCKIPXOAKAW-UHFFFAOYSA-N 0 0 302.757 3.711 10 0 DHAERN CCCc1[nH]c(=O)c(C(=O)N[C@@H](C)c2ccccc2)cc1CC ZINC000584631941 337377099 /nfs/dbraw/zinc/37/70/99/337377099.db2.gz FLUZIBBKWCGAKE-ZDUSSCGKSA-N 0 0 312.413 3.793 10 0 DHAERN CCCc1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)[nH]c1CC ZINC000584633027 337377360 /nfs/dbraw/zinc/37/73/60/337377360.db2.gz UVKBYQDVZGTOIE-CYBMUJFWSA-N 0 0 312.413 3.793 10 0 DHAERN Nc1cnc(Cl)c(Br)c1NC1CCCCC1 ZINC000584637869 337379481 /nfs/dbraw/zinc/37/94/81/337379481.db2.gz MDOQUSQWWIXIHT-UHFFFAOYSA-N 0 0 304.619 3.824 10 0 DHAERN Clc1ccc(N2CCc3nc(-c4ccccn4)ncc3C2)cc1 ZINC000584648233 337380362 /nfs/dbraw/zinc/38/03/62/337380362.db2.gz DNZLERHJEJXHRA-UHFFFAOYSA-N 0 0 322.799 3.755 10 0 DHAERN CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC1=O ZINC000584650981 337380908 /nfs/dbraw/zinc/38/09/08/337380908.db2.gz ZYFDDMIUIWHEAL-GFCCVEGCSA-N 0 0 300.185 3.858 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3csc(C(C)(C)C)n3)C2)c1 ZINC000106221278 337387098 /nfs/dbraw/zinc/38/70/98/337387098.db2.gz BQOMXPIZUSQLJK-OAHLLOKOSA-N 0 0 318.490 3.783 10 0 DHAERN Cc1ccc(SCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113890175 337391250 /nfs/dbraw/zinc/39/12/50/337391250.db2.gz PPKAXZUMFYJSGY-MRXNPFEDSA-N 0 0 315.442 3.564 10 0 DHAERN Cc1cc2[nH]c(C(=O)N3CCCC[C@@H]3c3cn[nH]c3)cc2c(C)c1 ZINC000113895191 337391338 /nfs/dbraw/zinc/39/13/38/337391338.db2.gz TWVPUBZXXDAKPH-GOSISDBHSA-N 0 0 322.412 3.875 10 0 DHAERN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116041040 337392222 /nfs/dbraw/zinc/39/22/22/337392222.db2.gz DDNZWDPMILFTEJ-HNNXBMFYSA-N 0 0 317.360 3.940 10 0 DHAERN O=C(CCCOc1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116046163 337392302 /nfs/dbraw/zinc/39/23/02/337392302.db2.gz MGZKMMADRFLLMP-INIZCTEOSA-N 0 0 317.360 3.941 10 0 DHAERN CCCCCC[C@H](C)CC(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116116610 337392412 /nfs/dbraw/zinc/39/24/12/337392412.db2.gz WQOSBKHXECTBDU-HOTGVXAUSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2csc(Br)c2)o1 ZINC000037498919 337395565 /nfs/dbraw/zinc/39/55/65/337395565.db2.gz MOCIRWVKIVNEJS-MRVPVSSYSA-N 0 0 314.204 3.903 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccncc3C)C2)n1 ZINC000121859353 337396606 /nfs/dbraw/zinc/39/66/06/337396606.db2.gz OCHXIGLEJMUEKK-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1cccc(F)c1 ZINC000041174459 337400733 /nfs/dbraw/zinc/40/07/33/337400733.db2.gz ICDZKIJQEYBZAB-KRWDZBQOSA-N 0 0 313.372 3.818 10 0 DHAERN C[C@@H](NCc1cn2cccnc2n1)c1ccc(Cl)c(Cl)c1 ZINC000124034473 337403247 /nfs/dbraw/zinc/40/32/47/337403247.db2.gz XQYNVFSROBSHFW-SNVBAGLBSA-N 0 0 321.211 3.887 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@@H]2C2CCCCC2)s1 ZINC000124179428 337404039 /nfs/dbraw/zinc/40/40/39/337404039.db2.gz BNZSEUMXGRZWCO-HUUCEWRRSA-N 0 0 306.475 3.669 10 0 DHAERN CC[S@@](=O)c1ccccc1C(=O)N[C@@H](C)c1ccccc1C ZINC000125506111 337412257 /nfs/dbraw/zinc/41/22/57/337412257.db2.gz YMFYZEHKPRIJIN-FPTDNZKUSA-N 0 0 315.438 3.614 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NC[C@H]2CCCS2)o1 ZINC000126446120 337416868 /nfs/dbraw/zinc/41/68/68/337416868.db2.gz RYCCOUFXGGWQLI-KGLIPLIRSA-N 0 0 308.447 3.720 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)O1 ZINC000127108583 337419153 /nfs/dbraw/zinc/41/91/53/337419153.db2.gz NRZFRGCOPHMXRV-LRDDRELGSA-N 0 0 322.836 3.836 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccc(C)o2)cc1F ZINC000048060168 337432245 /nfs/dbraw/zinc/43/22/45/337432245.db2.gz YZUFHIRZTLRPPP-RYUDHWBXSA-N 0 0 320.364 3.857 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccc(C)o2)cc1F ZINC000048060171 337432329 /nfs/dbraw/zinc/43/23/29/337432329.db2.gz YZUFHIRZTLRPPP-VXGBXAGGSA-N 0 0 320.364 3.857 10 0 DHAERN C[C@H](N[C@@H](C)c1ccc(F)cc1Cl)c1nnc2n1CCCC2 ZINC000130889946 337434921 /nfs/dbraw/zinc/43/49/21/337434921.db2.gz ILVBZMDTZDNYDY-QWRGUYRKSA-N 0 0 322.815 3.819 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(C)Cc2cc(Cl)cc(Cl)c2)O1 ZINC000132985106 337443934 /nfs/dbraw/zinc/44/39/34/337443934.db2.gz MMJLJXKWXISTSX-TVQRCGJNSA-N 0 0 302.201 3.519 10 0 DHAERN CSc1ccc(Cl)c(C(=O)N[C@H]2COc3ccccc32)c1 ZINC000058725995 337458768 /nfs/dbraw/zinc/45/87/68/337458768.db2.gz WOGCOCIXODXVPF-AWEZNQCLSA-N 0 0 319.813 3.925 10 0 DHAERN CC[C@H](NCc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000195052304 337464726 /nfs/dbraw/zinc/46/47/26/337464726.db2.gz BQAVBMVDCUCGAV-AWEZNQCLSA-N 0 0 304.825 3.587 10 0 DHAERN CCCCc1nc(CN2CCCC[C@H]2c2nccs2)no1 ZINC000195372759 337466279 /nfs/dbraw/zinc/46/62/79/337466279.db2.gz IAIOAYIEGFXODM-LBPRGKRZSA-N 0 0 306.435 3.596 10 0 DHAERN C[C@@H](NC(=O)N1CCC(OC2CCCC2)CC1)c1cccs1 ZINC000195263663 337467518 /nfs/dbraw/zinc/46/75/18/337467518.db2.gz LXYQODMRZJMPHE-CYBMUJFWSA-N 0 0 322.474 3.942 10 0 DHAERN C[C@H](Oc1cccnc1)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000246264121 337525495 /nfs/dbraw/zinc/52/54/95/337525495.db2.gz AJXHTMZZYHHEDR-SUNYJGFJSA-N 0 0 310.397 3.604 10 0 DHAERN C[C@H](NC(=O)COC(C)(C)C)c1ccc(Cl)c(Cl)c1 ZINC000158337687 337530818 /nfs/dbraw/zinc/53/08/18/337530818.db2.gz XDWYCTAYTCQYMI-VIFPVBQESA-N 0 0 304.217 3.986 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000246546739 337553497 /nfs/dbraw/zinc/55/34/97/337553497.db2.gz KUUDUGDPCOKVGY-RKVPGOIHSA-N 0 0 316.445 3.693 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1ccccc1 ZINC000247450271 337559670 /nfs/dbraw/zinc/55/96/70/337559670.db2.gz OXGFBRWHHNRSLC-DKSSEZFCSA-N 0 0 322.408 3.913 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000248543281 337564414 /nfs/dbraw/zinc/56/44/14/337564414.db2.gz IQQWCJRCGQTDOC-XNJGSVPQSA-N 0 0 317.477 3.773 10 0 DHAERN C[C@H](CN(C)C(=O)[C@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000248471432 337565411 /nfs/dbraw/zinc/56/54/11/337565411.db2.gz VRGMEZKBZSHESE-SNPRPXQTSA-N 0 0 306.475 3.921 10 0 DHAERN CC(C)=CCC[C@@H](C)CCN1CCOC[C@H]1c1nc(C)no1 ZINC000248674086 337566606 /nfs/dbraw/zinc/56/66/06/337566606.db2.gz WHGMKOIBFHJLNS-ZBFHGGJFSA-N 0 0 307.438 3.524 10 0 DHAERN CCCn1ccc2ccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)cc21 ZINC000076327934 337568430 /nfs/dbraw/zinc/56/84/30/337568430.db2.gz UGLKKOMJCRWTHI-KBPBESRZSA-N 0 0 315.417 3.692 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccccc3F)C2)cc1 ZINC000078187392 337592235 /nfs/dbraw/zinc/59/22/35/337592235.db2.gz QZALHDHBTWURNQ-UKRRQHHQSA-N 0 0 313.372 3.853 10 0 DHAERN C[C@@H](Sc1ccccc1O)C(=O)N[C@@H](C)c1ccccc1 ZINC000161732105 337596223 /nfs/dbraw/zinc/59/62/23/337596223.db2.gz QUBVAVYEIRJFFN-QWHCGFSZSA-N 0 0 301.411 3.750 10 0 DHAERN CCN(CC)C(=O)NCCc1ccc(-c2csc(C)n2)s1 ZINC000079016306 337613401 /nfs/dbraw/zinc/61/34/01/337613401.db2.gz OOQOACUQRXRXDR-UHFFFAOYSA-N 0 0 323.487 3.774 10 0 DHAERN CSc1ccc([C@H](C)[NH2+]C[C@@H](CC(C)C)C(=O)[O-])cc1F ZINC000263024885 337623171 /nfs/dbraw/zinc/62/31/71/337623171.db2.gz FWPSSCCLHWQYNZ-WCQYABFASA-N 0 0 313.438 3.945 10 0 DHAERN CCCC[C@H]([NH2+]C1CCC(c2ccc(O)cc2)CC1)C(=O)[O-] ZINC000263406363 337627937 /nfs/dbraw/zinc/62/79/37/337627937.db2.gz JYOLRNXVAVVJIW-PGEKIEPBSA-N 0 0 305.418 3.651 10 0 DHAERN Cc1oc(Br)cc1C(=O)N[C@@H](C)c1cccs1 ZINC000396744182 337732308 /nfs/dbraw/zinc/73/23/08/337732308.db2.gz WGCQETPZINWQTK-ZETCQYMHSA-N 0 0 314.204 3.903 10 0 DHAERN CCCCS(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000108262915 337834544 /nfs/dbraw/zinc/83/45/44/337834544.db2.gz MMCUOAOFBJMEIK-UHFFFAOYSA-N 0 0 320.252 3.608 10 0 DHAERN C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000117575620 337848235 /nfs/dbraw/zinc/84/82/35/337848235.db2.gz OINUMQPCYWGHOH-LSDHHAIUSA-N 0 0 320.392 3.880 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccccn2)cc1F ZINC000087033146 337856004 /nfs/dbraw/zinc/85/60/04/337856004.db2.gz ILRVENJPWKFMFS-QWHCGFSZSA-N 0 0 301.365 3.651 10 0 DHAERN Cc1c(Br)cccc1C(=O)Nc1ccccc1N ZINC000088440074 337861660 /nfs/dbraw/zinc/86/16/60/337861660.db2.gz RRMGTXJNYZNTSY-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1Cl ZINC000088559537 337862384 /nfs/dbraw/zinc/86/23/84/337862384.db2.gz ANVIGCKMODUYOX-FZMZJTMJSA-N 0 0 304.825 3.680 10 0 DHAERN CN(C(=O)[C@H]1C[C@H]1C1CCCCC1)c1nc2ccccc2n1C ZINC000120139996 337870496 /nfs/dbraw/zinc/87/04/96/337870496.db2.gz ZXFOMQIEFHWCDN-GJZGRUSLSA-N 0 0 311.429 3.753 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000090227087 337879539 /nfs/dbraw/zinc/87/95/39/337879539.db2.gz UPVJIARDBMQJEK-IINYFYTJSA-N 0 0 324.350 3.791 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000120946638 337882216 /nfs/dbraw/zinc/88/22/16/337882216.db2.gz FHPHHLNUSATISH-HBFSDRIKSA-N 0 0 315.457 3.580 10 0 DHAERN COc1ccc(F)cc1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000092117763 337900553 /nfs/dbraw/zinc/90/05/53/337900553.db2.gz QEIZSPMNMLRXFX-CYBMUJFWSA-N 0 0 304.321 3.796 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2scnc2CC)C12CCCC2 ZINC000122482021 337919900 /nfs/dbraw/zinc/91/99/00/337919900.db2.gz IJJFGTYLFDIPNY-ZIAGYGMSSA-N 0 0 322.474 3.515 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cccc(-n2cccc2)c1 ZINC000061205486 337926146 /nfs/dbraw/zinc/92/61/46/337926146.db2.gz CZCJBJQNTYWLOF-SFHVURJKSA-N 0 0 318.376 3.731 10 0 DHAERN CCn1ccnc1C[S@@](=O)Cc1cc(Cl)ccc1Cl ZINC000083036589 337992657 /nfs/dbraw/zinc/99/26/57/337992657.db2.gz MLPIEWMFVJMENZ-LJQANCHMSA-N 0 0 317.241 3.659 10 0 DHAERN CCn1ccnc1C[S@](=O)Cc1ccc(Cl)c(Cl)c1 ZINC000083045980 337992679 /nfs/dbraw/zinc/99/26/79/337992679.db2.gz DRYIXUJWLTYKAZ-IBGZPJMESA-N 0 0 317.241 3.659 10 0 DHAERN C[C@@H](CSc1ccc(F)cc1)C(=O)N1CCS[C@@H](C)C1 ZINC000151840966 338194927 /nfs/dbraw/zinc/19/49/27/338194927.db2.gz LMWIALJMTFKHTA-RYUDHWBXSA-N 0 0 313.463 3.518 10 0 DHAERN C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000152526402 338206508 /nfs/dbraw/zinc/20/65/08/338206508.db2.gz PWKDYXQUBFFTPJ-XWIAVFTESA-N 0 0 301.430 3.656 10 0 DHAERN CSC1(CNC(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000195045291 338845874 /nfs/dbraw/zinc/84/58/74/338845874.db2.gz GIICPIXENHQFAE-DOMZBBRYSA-N 0 0 304.459 3.820 10 0 DHAERN Cc1cc(N[C@H]2COc3ccccc32)ncc1Br ZINC000166120454 339053145 /nfs/dbraw/zinc/05/31/45/339053145.db2.gz ZVPAYVKEZYYBSM-LBPRGKRZSA-N 0 0 305.175 3.698 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)C(C)(C)c1cccs1 ZINC000172958704 340350061 /nfs/dbraw/zinc/35/00/61/340350061.db2.gz JLNZRUMJTUQZOZ-CQSZACIVSA-N 0 0 317.454 3.747 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cccs1)c1nc(C(C)(C)C)no1 ZINC000173424731 340364801 /nfs/dbraw/zinc/36/48/01/340364801.db2.gz JWTSDBMOBFGRNF-VHSXEESVSA-N 0 0 322.434 3.550 10 0 DHAERN O=C(NC[C@H]1CCCC[C@H]1O)C1CCC(c2ccccc2)CC1 ZINC000173717444 340372593 /nfs/dbraw/zinc/37/25/93/340372593.db2.gz WEWICXPIUFPPDY-CSODTCANSA-N 0 0 315.457 3.628 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)CCc1cccn1C ZINC000173834728 340375363 /nfs/dbraw/zinc/37/53/63/340375363.db2.gz LCCDUHSKQHNRDL-JKSUJKDBSA-N 0 0 313.445 3.715 10 0 DHAERN CCOc1ccccc1[C@H](CC(C)C)NC(=O)[C@@H](C)COC ZINC000173870965 340376303 /nfs/dbraw/zinc/37/63/03/340376303.db2.gz AXQZPFMRKSUVAJ-HOCLYGCPSA-N 0 0 307.434 3.571 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCc2ccco2)o1 ZINC000173899411 340377164 /nfs/dbraw/zinc/37/71/64/340377164.db2.gz UBKRXPIXPXACFR-OAHLLOKOSA-N 0 0 302.374 3.872 10 0 DHAERN CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000174326843 340386136 /nfs/dbraw/zinc/38/61/36/340386136.db2.gz ICHLYGFOLGTDLM-YUTCNCBUSA-N 0 0 309.479 3.775 10 0 DHAERN Cc1ccc(F)c(NC(=O)N[C@H](C)COCc2ccccc2)c1 ZINC000174482259 340389508 /nfs/dbraw/zinc/38/95/08/340389508.db2.gz SWWHKHZEWVMNIM-CQSZACIVSA-N 0 0 316.376 3.861 10 0 DHAERN C[C@@H](NC(=O)NC[C@H](C)Oc1ccc(F)cc1)c1cccs1 ZINC000174818709 340396665 /nfs/dbraw/zinc/39/66/65/340396665.db2.gz KEPVHKBKMNWOKW-NWDGAFQWSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H]1C ZINC000174851223 340397465 /nfs/dbraw/zinc/39/74/65/340397465.db2.gz PIHOPGCBABLWKZ-MROQNXINSA-N 0 0 306.372 3.938 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)COCc2ccccc2)c(F)cc1F ZINC000176501018 340427919 /nfs/dbraw/zinc/42/79/19/340427919.db2.gz SAXHXSDVYSJJJR-CYBMUJFWSA-N 0 0 319.351 3.608 10 0 DHAERN COc1ccc(-c2csc(CNC(=O)N[C@H]3C[C@H]3C)c2)cc1 ZINC000176516424 340428067 /nfs/dbraw/zinc/42/80/67/340428067.db2.gz GSFYGNQPZBPIHJ-BZNIZROVSA-N 0 0 316.426 3.631 10 0 DHAERN Cc1ccc(F)c(O[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 ZINC000178184339 340447537 /nfs/dbraw/zinc/44/75/37/340447537.db2.gz CINKGFOKDQWEKY-UONOGXRCSA-N 0 0 301.361 3.779 10 0 DHAERN COCCC1(CNC(=O)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000178418779 340449273 /nfs/dbraw/zinc/44/92/73/340449273.db2.gz LSCBRSJRFXEZOM-OAHLLOKOSA-N 0 0 318.461 3.987 10 0 DHAERN Cc1ccc(-c2nc(NC(=O)C[C@H](O)C(C)C)sc2C)s1 ZINC000178938120 340452540 /nfs/dbraw/zinc/45/25/40/340452540.db2.gz QUAMKUHITCUTNW-NSHDSACASA-N 0 0 324.471 3.834 10 0 DHAERN COCCOc1ccc(SCc2nccn2C(C)C)cc1 ZINC000185058425 340497634 /nfs/dbraw/zinc/49/76/34/340497634.db2.gz PKYUDUNHNVVQCJ-UHFFFAOYSA-N 0 0 306.431 3.782 10 0 DHAERN C[C@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccc2ccccc2c1 ZINC000190621447 340546226 /nfs/dbraw/zinc/54/62/26/340546226.db2.gz DQLGWAJIAJMSRS-ZDUSSCGKSA-N 0 0 322.412 3.677 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000191131148 340550383 /nfs/dbraw/zinc/55/03/83/340550383.db2.gz YBUAPRRCAORJBZ-XJKSGUPXSA-N 0 0 305.393 3.526 10 0 DHAERN CCC[C@H](N[C@@H](C)c1cnn(C(C)C)c1C)C(=O)OC(C)(C)C ZINC000191501536 340555009 /nfs/dbraw/zinc/55/50/09/340555009.db2.gz YNTKOEOSHCYECO-BBRMVZONSA-N 0 0 323.481 3.933 10 0 DHAERN CCN(C(=O)[C@@H]1CCCO[C@H]1C)C12CC3CC(CC(C3)C1)C2 ZINC000191584730 340556227 /nfs/dbraw/zinc/55/62/27/340556227.db2.gz HCRVSZVOLWTNTP-USCDJENESA-N 0 0 305.462 3.619 10 0 DHAERN C[C@@H](NC(=O)Nc1cnns1)c1ccc(Cl)c(Cl)c1 ZINC000192341941 340566259 /nfs/dbraw/zinc/56/62/59/340566259.db2.gz CXEJNYVFQTWXJR-ZCFIWIBFSA-N 0 0 317.201 3.728 10 0 DHAERN C[C@H](NC(=O)Nc1cnns1)c1ccc(Cl)c(Cl)c1 ZINC000192341935 340566311 /nfs/dbraw/zinc/56/63/11/340566311.db2.gz CXEJNYVFQTWXJR-LURJTMIESA-N 0 0 317.201 3.728 10 0 DHAERN C[C@@H](NC(=O)NC1CCSCC1)c1ccc(Cl)s1 ZINC000195472923 340580185 /nfs/dbraw/zinc/58/01/85/340580185.db2.gz MFAWXKAHRCLTOQ-MRVPVSSYSA-N 0 0 304.868 3.657 10 0 DHAERN Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000193929000 340585962 /nfs/dbraw/zinc/58/59/62/340585962.db2.gz TZXXXZZSUSLOTM-GFCCVEGCSA-N 0 0 307.397 3.600 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194716358 340595264 /nfs/dbraw/zinc/59/52/64/340595264.db2.gz QXXUWHZLYMPSPK-CQSZACIVSA-N 0 0 302.761 3.904 10 0 DHAERN CCS[C@H]1CC[C@@H](Nc2ccc(S(=O)(=O)CC)cc2)C1 ZINC000228022886 340605852 /nfs/dbraw/zinc/60/58/52/340605852.db2.gz SZOFTNDQCOGIRL-KGLIPLIRSA-N 0 0 313.488 3.566 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)N(C)C2CCCCC2)cc1OC ZINC000047149425 340710058 /nfs/dbraw/zinc/71/00/58/340710058.db2.gz CRIIWZFDCLFDQV-CYBMUJFWSA-N 0 0 320.433 3.739 10 0 DHAERN CC[C@H](CC(=O)N1CCS[C@@H](C)C1)c1ccc(OC)cc1 ZINC000125351450 340803741 /nfs/dbraw/zinc/80/37/41/340803741.db2.gz VQDZNPULNCCFEJ-UONOGXRCSA-N 0 0 307.459 3.543 10 0 DHAERN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000128333569 340875207 /nfs/dbraw/zinc/87/52/07/340875207.db2.gz ATMJWGCFCRUBJE-DAYGRLMNSA-N 0 0 316.445 3.880 10 0 DHAERN Cc1noc(Cl)c1CCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000130994506 341055861 /nfs/dbraw/zinc/05/58/61/341055861.db2.gz GNKUSODZVAMQJR-JTQLQIEISA-N 0 0 324.783 3.894 10 0 DHAERN COc1ccc(SCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000072700432 341099654 /nfs/dbraw/zinc/09/96/54/341099654.db2.gz GABARTMDBPOQMH-LBPRGKRZSA-N 0 0 305.399 3.566 10 0 DHAERN CC(C)OCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000132259649 341119560 /nfs/dbraw/zinc/11/95/60/341119560.db2.gz FSAAADZTFGFDHN-QZTJIDSGSA-N 0 0 303.446 3.845 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000133030527 341152279 /nfs/dbraw/zinc/15/22/79/341152279.db2.gz IIKXKHYVUVEOOY-MNOVXSKESA-N 0 0 306.312 3.566 10 0 DHAERN CC(C)c1nc(C2(NC(=O)C[C@@H]3CC[C@H](C)C3)CCCC2)no1 ZINC000133348791 341173522 /nfs/dbraw/zinc/17/35/22/341173522.db2.gz WCLGJCKKXPEJQQ-UONOGXRCSA-N 0 0 319.449 3.905 10 0 DHAERN O=C(NC[C@@H]1CCCC[C@@H]1O)c1sccc1-c1ccccc1 ZINC000077205246 341220453 /nfs/dbraw/zinc/22/04/53/341220453.db2.gz DYSDJVKGTXWLCG-HOCLYGCPSA-N 0 0 315.438 3.696 10 0 DHAERN C[C@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCC[NH2+]1 ZINC000136150271 341253841 /nfs/dbraw/zinc/25/38/41/341253841.db2.gz XLUAFVSCGUGIHU-XJKSGUPXSA-N 0 0 324.877 3.525 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000137020777 341270641 /nfs/dbraw/zinc/27/06/41/341270641.db2.gz JCQPLLCAMKAYNY-TUAOUCFPSA-N 0 0 324.412 3.645 10 0 DHAERN COc1cccc(/C(C)=C/c2nc(-c3ccc(OC)nc3)no2)c1 ZINC000081533716 341295352 /nfs/dbraw/zinc/29/53/52/341295352.db2.gz CMNBOROIGQPDNV-FMIVXFBMSA-N 0 0 323.352 3.709 10 0 DHAERN CC[C@](C)(CCO)NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000245552379 341301502 /nfs/dbraw/zinc/30/15/02/341301502.db2.gz QJLAESKHVAZSPB-YQVWRLOYSA-N 0 0 303.446 3.581 10 0 DHAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000245859466 341316515 /nfs/dbraw/zinc/31/65/15/341316515.db2.gz DCVNIXVWSQCTRP-ZIVNCQHPSA-N 0 0 319.489 3.747 10 0 DHAERN COc1ccc([C@H](C)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cc1 ZINC000245902916 341317858 /nfs/dbraw/zinc/31/78/58/341317858.db2.gz GSIKFBJYXUFGCS-IGNZVWTISA-N 0 0 313.372 3.610 10 0 DHAERN Cc1cccc([C@@H]2CCCCN2C(=O)[C@H]2CC[C@@H](C)O2)c1C ZINC000246035519 341322660 /nfs/dbraw/zinc/32/26/60/341322660.db2.gz OEWRIMULCSSHEF-FHLIZLRMSA-N 0 0 301.430 3.925 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC[C@@]2(C)CCCO2)cc1 ZINC000246226724 341335456 /nfs/dbraw/zinc/33/54/56/341335456.db2.gz WLZOYCQHIHNWBZ-YQVWRLOYSA-N 0 0 301.430 3.599 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000246332245 341342626 /nfs/dbraw/zinc/34/26/26/341342626.db2.gz JYZVLZSLAMTQKI-ARFHVFGLSA-N 0 0 313.784 3.693 10 0 DHAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1Br ZINC000246840389 341357613 /nfs/dbraw/zinc/35/76/13/341357613.db2.gz LHRNBQOAXBHNAY-WUWHUORYSA-N 0 0 308.219 3.672 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H]2CCCOC2)cc1 ZINC000247083391 341360866 /nfs/dbraw/zinc/36/08/66/341360866.db2.gz TYUYNKHCFPPAMS-AYOQOUSVSA-N 0 0 315.457 3.799 10 0 DHAERN Cc1cc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273050 341362971 /nfs/dbraw/zinc/36/29/71/341362971.db2.gz YDSJLVSISCANCU-KDOFPFPSSA-N 0 0 321.342 3.720 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC000247390860 341364093 /nfs/dbraw/zinc/36/40/93/341364093.db2.gz GPGFCFBGZVNHCN-IJLUTSLNSA-N 0 0 324.412 3.645 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)[C@H]1c1ccccc1 ZINC000247427659 341364730 /nfs/dbraw/zinc/36/47/30/341364730.db2.gz LOPCAISSGKBKPN-RPVQJOFSSA-N 0 0 308.381 3.523 10 0 DHAERN C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247538974 341367080 /nfs/dbraw/zinc/36/70/80/341367080.db2.gz PWKDYXQUBFFTPJ-JEBQAFNWSA-N 0 0 301.430 3.656 10 0 DHAERN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000247874912 341370786 /nfs/dbraw/zinc/37/07/86/341370786.db2.gz NOGZIFOJYPSQEB-ZMSDIMECSA-N 0 0 319.445 3.569 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)[C@H]1C ZINC000247994958 341372074 /nfs/dbraw/zinc/37/20/74/341372074.db2.gz JVEPREKHAOVQFM-MBNYWOFBSA-N 0 0 314.351 3.600 10 0 DHAERN C[C@@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCO1 ZINC000248231025 341374880 /nfs/dbraw/zinc/37/48/80/341374880.db2.gz BPAOZOQSLGXJJH-RISCZKNCSA-N 0 0 319.788 3.897 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)cc1 ZINC000248413264 341377142 /nfs/dbraw/zinc/37/71/42/341377142.db2.gz FYALYDCWANBTTP-USJZOSNVSA-N 0 0 301.430 3.836 10 0 DHAERN CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)c1cccs1 ZINC000248465527 341378428 /nfs/dbraw/zinc/37/84/28/341378428.db2.gz COYKVHNBQZKHTD-MCIONIFRSA-N 0 0 310.463 3.702 10 0 DHAERN CC[C@H](CN(CC)C(=O)N[C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000248476611 341378600 /nfs/dbraw/zinc/37/86/00/341378600.db2.gz NVTCYZMVAHLTTG-LZLYRXPVSA-N 0 0 318.461 3.779 10 0 DHAERN CC[C@@H]1CCCC[C@H]1OCC(=O)N1CCC[C@H]1c1ccco1 ZINC000248652558 341382933 /nfs/dbraw/zinc/38/29/33/341382933.db2.gz UBGJTCXEPTYTQG-OWCLPIDISA-N 0 0 305.418 3.929 10 0 DHAERN CC[C@H]1CC[C@H](C(=O)N2CCc3c(nc(C(C)C)n3C)C2)CC1 ZINC000249456020 341397790 /nfs/dbraw/zinc/39/77/90/341397790.db2.gz DOHSDKGLTWRAIK-SHTZXODSSA-N 0 0 317.477 3.645 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000251256170 341414295 /nfs/dbraw/zinc/41/42/95/341414295.db2.gz YCVRFVVWJODYHT-APHBMKBZSA-N 0 0 307.409 3.844 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)[C@@H]1CCCc2ccccc21 ZINC000261942440 341509833 /nfs/dbraw/zinc/50/98/33/341509833.db2.gz UYESWGZNCLHFBE-MRXNPFEDSA-N 0 0 306.409 3.668 10 0 DHAERN CC(C)c1ccc(NC(=O)CN2CCCc3c(N)cccc32)cc1 ZINC000261955748 341510173 /nfs/dbraw/zinc/51/01/73/341510173.db2.gz XCLDMYUSUCTFSB-UHFFFAOYSA-N 0 0 323.440 3.784 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Sc3ccncc3)cc2)O1 ZINC000153213425 341530122 /nfs/dbraw/zinc/53/01/22/341530122.db2.gz VEETXYKGBHTLNK-WBMJQRKESA-N 0 0 314.410 3.739 10 0 DHAERN COc1cccc(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000153319283 341534815 /nfs/dbraw/zinc/53/48/15/341534815.db2.gz ZTPORMPVTHUYBW-GOSISDBHSA-N 0 0 313.372 3.571 10 0 DHAERN c1ccc(-c2nc3cc[nH]cc-3n2)c(OCc2cccnc2)c1 ZINC000154625441 341592574 /nfs/dbraw/zinc/59/25/74/341592574.db2.gz XZLSUPVODQXHQB-UHFFFAOYSA-N 0 0 302.337 3.599 10 0 DHAERN Cc1ccc(CCNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)cn1 ZINC000156109987 341617148 /nfs/dbraw/zinc/61/71/48/341617148.db2.gz MROOVUADXMWIKD-LIRRHRJNSA-N 0 0 323.440 3.870 10 0 DHAERN C[C@@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)CCS1 ZINC000157091813 341632330 /nfs/dbraw/zinc/63/23/30/341632330.db2.gz JKJMPGFPORTADR-CYBMUJFWSA-N 0 0 313.426 3.718 10 0 DHAERN COc1csc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000157706863 341643994 /nfs/dbraw/zinc/64/39/94/341643994.db2.gz AUPWEKGHBPRDGP-CQSZACIVSA-N 0 0 305.374 3.703 10 0 DHAERN CC(C)c1cc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)no1 ZINC000157848302 341646538 /nfs/dbraw/zinc/64/65/38/341646538.db2.gz PGSCFUYHFAQCEG-CQSZACIVSA-N 0 0 302.349 3.745 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)N1CCCc2ccccc2C1 ZINC000171697901 341782896 /nfs/dbraw/zinc/78/28/96/341782896.db2.gz XXTXMLMRZGVYHS-GOSISDBHSA-N 0 0 322.408 3.668 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000172151773 341793957 /nfs/dbraw/zinc/79/39/57/341793957.db2.gz JDRYJLDSIXYZAX-NDBYEHHHSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H]1CC(NC(=O)N2CCC[C@H](C(F)(F)F)C2)C[C@H](C)C1 ZINC000172399471 341798451 /nfs/dbraw/zinc/79/84/51/341798451.db2.gz QXYMAISAODKWLP-UTUOFQBUSA-N 0 0 306.372 3.795 10 0 DHAERN O=C(Nc1cc(Br)ccn1)[C@@H]1CCCCC1(F)F ZINC000336884123 341809830 /nfs/dbraw/zinc/80/98/30/341809830.db2.gz ANENHIOKRMHJJB-VIFPVBQESA-N 0 0 319.149 3.608 10 0 DHAERN C[C@@H](NCc1ccc2ccccc2n1)c1nc(C(C)(C)C)no1 ZINC000174660409 341830396 /nfs/dbraw/zinc/83/03/96/341830396.db2.gz OKCJEYXLBLVTKW-GFCCVEGCSA-N 0 0 310.401 3.766 10 0 DHAERN CC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178578365 341958628 /nfs/dbraw/zinc/95/86/28/341958628.db2.gz OCTAXUWAZDHFBC-LBPRGKRZSA-N 0 0 302.340 3.505 10 0 DHAERN CCCSCC(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113204423 520551233 /nfs/dbraw/zinc/55/12/33/520551233.db2.gz QHHQGWOYHJWHCG-LBPRGKRZSA-N 0 0 312.504 3.555 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)C(C)(Cl)Cl)C2)n1 ZINC000180405378 522108724 /nfs/dbraw/zinc/10/87/24/522108724.db2.gz HIVCEECPXDDCID-SECBINFHSA-N 0 0 321.273 3.605 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@@H]2C)c(Cl)c1 ZINC000190735325 519780876 /nfs/dbraw/zinc/78/08/76/519780876.db2.gz GVQRIYYELLWPLI-DGCLKSJQSA-N 0 0 311.809 3.881 10 0 DHAERN CC(C)n1cc(-c2nc(Cc3ccc(Cl)cc3)no2)cn1 ZINC000189174056 519929812 /nfs/dbraw/zinc/92/98/12/519929812.db2.gz QFKNWZDFIIFHCD-UHFFFAOYSA-N 0 0 302.765 3.758 10 0 DHAERN CCN(C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000109103678 520053222 /nfs/dbraw/zinc/05/32/22/520053222.db2.gz IMJURWIKWWRUKY-KGLIPLIRSA-N 0 0 302.324 3.516 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000180625754 520290302 /nfs/dbraw/zinc/29/03/02/520290302.db2.gz NIQIECBULIJMGK-KGLIPLIRSA-N 0 0 310.463 3.650 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCO[C@H](c2nccs2)C1 ZINC000180625770 520311206 /nfs/dbraw/zinc/31/12/06/520311206.db2.gz NIQIECBULIJMGK-KBPBESRZSA-N 0 0 310.463 3.650 10 0 DHAERN CC1(C)C[C@H](NC(=O)[C@@H]2CC2(Cl)Cl)c2ccccc2O1 ZINC000121861251 520551191 /nfs/dbraw/zinc/55/11/91/520551191.db2.gz OXMYDGZSKCZJJX-QWRGUYRKSA-N 0 0 314.212 3.599 10 0 DHAERN CCC(=O)Nc1sc(Br)nc1-c1ccccc1 ZINC000032500040 521232991 /nfs/dbraw/zinc/23/29/91/521232991.db2.gz NQNFWIHUMMEQTC-UHFFFAOYSA-N 0 0 311.204 3.921 10 0 DHAERN CCCCc1nc(CN2CCC[C@H](n3cc(C)cn3)C2)cs1 ZINC000106219902 521299092 /nfs/dbraw/zinc/29/90/92/521299092.db2.gz KLHAYHUVUWVQAE-INIZCTEOSA-N 0 0 318.490 3.828 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000191669176 521311443 /nfs/dbraw/zinc/31/14/43/521311443.db2.gz KZYUTULOEZPZHS-ZYHUDNBSSA-N 0 0 301.839 3.565 10 0 DHAERN CCCn1c(C)nnc1CN1CCCC[C@@H]1c1ccc(CC)o1 ZINC000159299556 521622873 /nfs/dbraw/zinc/62/28/73/521622873.db2.gz UCYPPMRHQHJJAX-MRXNPFEDSA-N 0 0 316.449 3.879 10 0 DHAERN CCOC1CC(CCNC(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000189744535 521642932 /nfs/dbraw/zinc/64/29/32/521642932.db2.gz NYKIXUSOGRERSN-FUJMWEONSA-N 0 0 324.852 3.905 10 0 DHAERN CCC1(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)CCCC1 ZINC000155638863 521670560 /nfs/dbraw/zinc/67/05/60/521670560.db2.gz XNDVEGCYIYOAEU-CYBMUJFWSA-N 0 0 305.418 3.851 10 0 DHAERN CCOCCCCNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000174107283 521700032 /nfs/dbraw/zinc/70/00/32/521700032.db2.gz PLDCEZFEHVSIKJ-MRXNPFEDSA-N 0 0 322.449 3.895 10 0 DHAERN COc1cc(-c2nc(C3CCCCC3)no2)cc(OC)c1O ZINC000131912207 521903595 /nfs/dbraw/zinc/90/35/95/521903595.db2.gz IFEOIHWGSXJVEV-UHFFFAOYSA-N 0 0 304.346 3.507 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@H](CC)SC)C2)n1 ZINC000131116303 522111545 /nfs/dbraw/zinc/11/15/45/522111545.db2.gz VQNZTFPPZIHSAL-YPMHNXCESA-N 0 0 312.504 3.553 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)[C@H](CC)SC)C2)n1 ZINC000131116518 522117475 /nfs/dbraw/zinc/11/74/75/522117475.db2.gz VQNZTFPPZIHSAL-AAEUAGOBSA-N 0 0 312.504 3.553 10 0 DHAERN CCc1nc(CN2CCC[C@@H](c3nc(C)cs3)C2)cs1 ZINC000156967951 522307027 /nfs/dbraw/zinc/30/70/27/522307027.db2.gz LBCQNLIMMIVOKR-GFCCVEGCSA-N 0 0 307.488 3.850 10 0 DHAERN CCc1nc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127750754 522308995 /nfs/dbraw/zinc/30/89/95/522308995.db2.gz UKTPKXLAFXHTLJ-LBPRGKRZSA-N 0 0 320.462 3.592 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(-c2cn3ccc(C)cc3n2)cc1 ZINC000103429077 522555000 /nfs/dbraw/zinc/55/50/00/522555000.db2.gz ZLMPNCSUEGNHIQ-AWEZNQCLSA-N 0 0 323.396 3.531 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1 ZINC000130835131 522591739 /nfs/dbraw/zinc/59/17/39/522591739.db2.gz ZYDJMHAURPKWFL-MRXNPFEDSA-N 0 0 312.417 3.623 10 0 DHAERN COCC1=CCN(C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000188190872 522917297 /nfs/dbraw/zinc/91/72/97/522917297.db2.gz QKAVEKGJXFLBSQ-HNNXBMFYSA-N 0 0 324.424 3.889 10 0 DHAERN COCCCC(=O)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000156636349 523078165 /nfs/dbraw/zinc/07/81/65/523078165.db2.gz UUEREJCYHOOSTA-GWCFXTLKSA-N 0 0 316.228 3.640 10 0 DHAERN CCc1sc([C@H](C)Nc2c(C)c(C)nc3ncnn32)cc1C ZINC000157789166 523079006 /nfs/dbraw/zinc/07/90/06/523079006.db2.gz DBEROCAPGBGGMI-LBPRGKRZSA-N 0 0 315.446 3.847 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(Cl)cc1F)C(C)C ZINC000180259476 523156061 /nfs/dbraw/zinc/15/60/61/523156061.db2.gz MQCBZDRIKZEZCT-INIZCTEOSA-N 0 0 324.831 3.886 10 0 DHAERN CCn1cc([C@H](C)Nc2cccc(-n3nc(C)cc3C)c2)cn1 ZINC000182875876 523477610 /nfs/dbraw/zinc/47/76/10/523477610.db2.gz WHUZYVVTKXJOCY-HNNXBMFYSA-N 0 0 309.417 3.879 10 0 DHAERN CC[C@H](C)CC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 ZINC000191436632 523852289 /nfs/dbraw/zinc/85/22/89/523852289.db2.gz JPWXCJFIRKWKBS-SWLSCSKDSA-N 0 0 319.474 3.910 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CCOCC(F)F)o1 ZINC000188053371 524034705 /nfs/dbraw/zinc/03/47/05/524034705.db2.gz HJXUIILQCDORHX-ZDUSSCGKSA-N 0 0 315.360 3.567 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(C)nc2)o1 ZINC000128279934 524035250 /nfs/dbraw/zinc/03/52/50/524035250.db2.gz VQAMBTGMFBSWQS-KRWDZBQOSA-N 0 0 312.413 3.842 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc(F)cn2)o1 ZINC000182855032 524035469 /nfs/dbraw/zinc/03/54/69/524035469.db2.gz SHNXMYUFMWWRDW-HNNXBMFYSA-N 0 0 302.349 3.744 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(F)cn2)o1 ZINC000182855053 524053314 /nfs/dbraw/zinc/05/33/14/524053314.db2.gz SHNXMYUFMWWRDW-OAHLLOKOSA-N 0 0 302.349 3.744 10 0 DHAERN COc1cccc2c1CCN(C(=O)N[C@H](C)c1cccs1)C2 ZINC000182405520 524207664 /nfs/dbraw/zinc/20/76/64/524207664.db2.gz WJPWVRKPULMPTK-GFCCVEGCSA-N 0 0 316.426 3.586 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)[C@@H]1c1cccc(F)c1 ZINC000188684537 524477927 /nfs/dbraw/zinc/47/79/27/524477927.db2.gz ZEIWQTHMTVVWCB-KFZJALRRSA-N 0 0 305.393 3.550 10 0 DHAERN C[C@@H]1CC[C@@H](CCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)O1 ZINC000121444015 524585980 /nfs/dbraw/zinc/58/59/80/524585980.db2.gz GKWNQSGBDJTKHF-IJEWVQPXSA-N 0 0 317.429 3.753 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)c2cccc(NC(N)=O)c2)c2ccccc21 ZINC000162702309 524700524 /nfs/dbraw/zinc/70/05/24/524700524.db2.gz MVPFPIVQPSPRAE-PXAZEXFGSA-N 0 0 323.396 3.546 10 0 DHAERN Cc1ccc(F)cc1CNC1(c2noc(C3CC3)n2)CCCC1 ZINC000180159942 524853561 /nfs/dbraw/zinc/85/35/61/524853561.db2.gz KBLNSRUQLVUOLU-UHFFFAOYSA-N 0 0 315.392 3.954 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000190461410 525015867 /nfs/dbraw/zinc/01/58/67/525015867.db2.gz BGFJAKCSRXKCLX-PSASIEDQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000187984716 525016120 /nfs/dbraw/zinc/01/61/20/525016120.db2.gz LPVCHOXDRBGEBC-RDTXWAMCSA-N 0 0 317.429 3.899 10 0 DHAERN C[C@H](NC(=O)N1CCO[C@@H](c2cccs2)C1)c1cccs1 ZINC000177882545 525031924 /nfs/dbraw/zinc/03/19/24/525031924.db2.gz VXIXOXBJJSEDPG-NWDGAFQWSA-N 0 0 322.455 3.654 10 0 DHAERN Cc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(F)c1 ZINC000180601067 525122961 /nfs/dbraw/zinc/12/29/61/525122961.db2.gz SKKHFRFKHXFCPH-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN Cc1ccccc1CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000176156624 525156485 /nfs/dbraw/zinc/15/64/85/525156485.db2.gz GFTFNYQIZITKER-OAHLLOKOSA-N 0 0 315.442 3.888 10 0 DHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1F ZINC000180675556 525176095 /nfs/dbraw/zinc/17/60/95/525176095.db2.gz NMKCXKWOWOOILH-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN Cc1ccccc1Cc1noc(CN[C@@H](C)c2cccs2)n1 ZINC000182552290 525207661 /nfs/dbraw/zinc/20/76/61/525207661.db2.gz YTDVGJUPFNLBHL-ZDUSSCGKSA-N 0 0 313.426 3.881 10 0 DHAERN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@@H]2CCCO[C@@H]2C)C2CC2)o1 ZINC000188566155 525339944 /nfs/dbraw/zinc/33/99/44/525339944.db2.gz LPXMXEPJLNVACN-KFZJALRRSA-N 0 0 317.429 3.709 10 0 DHAERN Cc1cc(OCCCC2N=NC(=S)N2C)ccc1C(C)C ZINC000026469368 525370406 /nfs/dbraw/zinc/37/04/06/525370406.db2.gz YQXWRXSZFDRQFF-UHFFFAOYSA-N 0 0 305.447 3.547 10 0 DHAERN Cc1[nH]ccc1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129901588 525454452 /nfs/dbraw/zinc/45/44/52/525454452.db2.gz PARBUVABMWFWKP-MRXNPFEDSA-N 0 0 310.397 3.890 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000190786200 525556825 /nfs/dbraw/zinc/55/68/25/525556825.db2.gz YLUWZDFELILMPT-GUYCJALGSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000188005226 525556860 /nfs/dbraw/zinc/55/68/60/525556860.db2.gz JJFRWJTWAPPWJH-YJBOKZPZSA-N 0 0 316.445 3.821 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000190805992 525557216 /nfs/dbraw/zinc/55/72/16/525557216.db2.gz OSWVKQPVEQAPMQ-ZFWWWQNUSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000191389861 525557670 /nfs/dbraw/zinc/55/76/70/525557670.db2.gz TXJDFIZNSUGRHO-UWVGGRQHSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000191641271 525557902 /nfs/dbraw/zinc/55/79/02/525557902.db2.gz HISMQZIXWAPEKT-BBRMVZONSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000188982795 525561713 /nfs/dbraw/zinc/56/17/13/525561713.db2.gz KHMSIBQDCXCBJH-WCQYABFASA-N 0 0 302.399 3.564 10 0 DHAERN C[C@@H](N[C@H](C)c1cccc(-n2ccnc2)c1)c1nc(C2CC2)no1 ZINC000180661911 525663180 /nfs/dbraw/zinc/66/31/80/525663180.db2.gz NHVKPGQVJIFFAT-CHWSQXEVSA-N 0 0 323.400 3.545 10 0 DHAERN C[C@H](Nc1nc(-c2cccnc2)nc2ccccc21)[C@H]1CCCO1 ZINC000248238989 525677048 /nfs/dbraw/zinc/67/70/48/525677048.db2.gz GAFLPXXVZOQTEK-SUMWQHHRSA-N 0 0 320.396 3.671 10 0 DHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCO[C@@H]2C)o1 ZINC000187940067 525795599 /nfs/dbraw/zinc/79/55/99/525795599.db2.gz KGPYIQCKNDVSFI-PMPSAXMXSA-N 0 0 305.418 3.847 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2c(C)noc2C)o1 ZINC000127440878 525796933 /nfs/dbraw/zinc/79/69/33/525796933.db2.gz DJFWFBKDPCUJON-INIZCTEOSA-N 0 0 316.401 3.879 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2ccccc2O)o1 ZINC000127529461 525797722 /nfs/dbraw/zinc/79/77/22/525797722.db2.gz AHWLKPPSOUOYBW-INIZCTEOSA-N 0 0 313.397 3.980 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Nc2ccc(F)cn2)o1 ZINC000123011437 525800280 /nfs/dbraw/zinc/80/02/80/525800280.db2.gz PDDXSIMFICVTSV-ZDUSSCGKSA-N 0 0 303.337 3.881 10 0 DHAERN Cc1ccsc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000174878673 525820653 /nfs/dbraw/zinc/82/06/53/525820653.db2.gz IHFIYPQSQFSUBA-HOTGVXAUSA-N 0 0 315.438 3.785 10 0 DHAERN C[C@H](O)c1nc2ccccc2n1Cc1nc(C(C)(C)C)cs1 ZINC000181498057 525876600 /nfs/dbraw/zinc/87/66/00/525876600.db2.gz FQWAUZUYADADLH-NSHDSACASA-N 0 0 315.442 3.892 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Br)cc2)o1 ZINC000021839481 525909989 /nfs/dbraw/zinc/90/99/89/525909989.db2.gz VDMXPYPZAMPADG-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)N(c2ccccc2)C(C)C)o1 ZINC000183066266 525918129 /nfs/dbraw/zinc/91/81/29/525918129.db2.gz KHLDZQRZMBQBPI-HNNXBMFYSA-N 0 0 300.402 3.680 10 0 DHAERN C[C@H](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(F)cc1F ZINC000158982845 526231081 /nfs/dbraw/zinc/23/10/81/526231081.db2.gz PVYPXFBXQUTRSG-DQYPLSBCSA-N 0 0 323.383 3.628 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H](C)CCC(C)(C)C)C2)c1 ZINC000153843961 526266225 /nfs/dbraw/zinc/26/62/25/526266225.db2.gz VXIHBNQFFPUCOT-JKSUJKDBSA-N 0 0 320.481 3.753 10 0 DHAERN Fc1ccc(C(F)(F)F)cc1CNc1nnc(C2CC2)o1 ZINC000181512386 526326679 /nfs/dbraw/zinc/32/66/79/526326679.db2.gz BMERZMIQMQXBLA-UHFFFAOYSA-N 0 0 301.243 3.717 10 0 DHAERN Cc1csc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000109103757 526434957 /nfs/dbraw/zinc/43/49/57/526434957.db2.gz APXWRTJHDWXKGD-MVWJERBFSA-N 0 0 322.380 3.711 10 0 DHAERN Cc1noc(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130220206 526513655 /nfs/dbraw/zinc/51/36/55/526513655.db2.gz QIGABVSXUPNDDD-SJORKVTESA-N 0 0 312.413 3.835 10 0 DHAERN c1cnn([C@H]2CCCC[C@@H]2Nc2noc(-c3ccccc3)n2)c1 ZINC000157818514 526558647 /nfs/dbraw/zinc/55/86/47/526558647.db2.gz UVURJFMMWHQZPK-GJZGRUSLSA-N 0 0 309.373 3.529 10 0 DHAERN Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)c1ccccc1C ZINC000125064681 526569124 /nfs/dbraw/zinc/56/91/24/526569124.db2.gz LGQQVARTCIWSJR-OLZOCXBDSA-N 0 0 300.402 3.971 10 0 DHAERN c1nc([C@@H]2CCCCN2CCCSCc2ccccc2)n[nH]1 ZINC000182735584 526603578 /nfs/dbraw/zinc/60/35/78/526603578.db2.gz JZZBGERZNTVFMU-INIZCTEOSA-N 0 0 316.474 3.655 10 0 DHAERN Cc1oc2ccccc2c1CN1CCO[C@@H](c2nccs2)C1 ZINC000129275194 526785657 /nfs/dbraw/zinc/78/56/57/526785657.db2.gz KFNOFHUJFJJYRH-MRXNPFEDSA-N 0 0 314.410 3.771 10 0 DHAERN Cc1nc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c(C)s1 ZINC000181247770 526792955 /nfs/dbraw/zinc/79/29/55/526792955.db2.gz IKOGJMFABQCFPF-ADLMAVQZSA-N 0 0 314.454 3.661 10 0 DHAERN Cc1nc(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000163606794 526793509 /nfs/dbraw/zinc/79/35/09/526793509.db2.gz DPCTUJQAXMPVLK-MNOVXSKESA-N 0 0 320.380 3.540 10 0 DHAERN Cn1c(COc2ccc3oc4c(c3c2)CCCC4)nnc1C1CC1 ZINC000181872086 527064857 /nfs/dbraw/zinc/06/48/57/527064857.db2.gz ZQWOATIUFHEFFF-UHFFFAOYSA-N 0 0 323.396 3.897 10 0 DHAERN O=C(Nc1cc(Cl)ccc1F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180612142 527110612 /nfs/dbraw/zinc/11/06/12/527110612.db2.gz IWYUIZQKPRCCBO-AWEZNQCLSA-N 0 0 322.771 3.961 10 0 DHAERN O=C(Cc1ccsc1)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000128599430 527317546 /nfs/dbraw/zinc/31/75/46/527317546.db2.gz UGPMEXDQUZTCMD-ZDUSSCGKSA-N 0 0 313.344 3.580 10 0 DHAERN Cc1ncccc1C(=O)N[C@@H](C)c1ccccc1Br ZINC000108152439 527357049 /nfs/dbraw/zinc/35/70/49/527357049.db2.gz ZWRNKZODQSWGIH-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN Cn1ccc2cccc(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)c21 ZINC000190045859 527377132 /nfs/dbraw/zinc/37/71/32/527377132.db2.gz DDEVKNAVNDNJQP-MRXNPFEDSA-N 0 0 323.400 3.661 10 0 DHAERN O=C(NC(C1CC1)C1CC1)N1CCCC[C@@H]1c1nccs1 ZINC000176187633 527462592 /nfs/dbraw/zinc/46/25/92/527462592.db2.gz XEECHWJDXZWPIU-CYBMUJFWSA-N 0 0 305.447 3.568 10 0 DHAERN O=C(Nc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109078571 527515452 /nfs/dbraw/zinc/51/54/52/527515452.db2.gz FOCYATLCATVUTF-MNOVXSKESA-N 0 0 313.307 3.583 10 0 DHAERN CCC(C)(C)c1nc2cc(Br)ccc2cc1NN ZINC000725268530 563574546 /nfs/dbraw/zinc/57/45/46/563574546.db2.gz UONZNOQSVXKHAT-UHFFFAOYSA-N 0 0 308.223 3.971 10 0 DHAERN COC(=O)CCc1c(C)nc(-c2ccc(C)cc2)nc1Cl ZINC000584904595 563637784 /nfs/dbraw/zinc/63/77/84/563637784.db2.gz LXMAGBCPVIXXTR-UHFFFAOYSA-N 0 0 304.777 3.519 10 0 DHAERN Fc1cccc2c(Br)ncc(Br)c12 ZINC000096856535 563913732 /nfs/dbraw/zinc/91/37/32/563913732.db2.gz FSDZYJKUSRNKED-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN Clc1sc([C@H]2NCCc3ccoc32)cc1Br ZINC000701386624 568414053 /nfs/dbraw/zinc/41/40/53/568414053.db2.gz MWZKOXBRNZLMRM-SECBINFHSA-N 0 0 318.623 3.992 10 0 DHAERN C=Cc1cncc2c1cc1n(c2=O)CCc2c3ccccc3[nH]c2-1 ZINC000000897967 560179207 /nfs/dbraw/zinc/17/92/07/560179207.db2.gz FACXQEOSOVJIPD-UHFFFAOYSA-N 0 0 313.360 3.744 10 0 in-vitro DHAERN O=[N+]([O-])c1cnc2c(Br)ccc(F)c2c1Cl ZINC000232219671 563421165 /nfs/dbraw/zinc/42/11/65/563421165.db2.gz NJDAGEIYBXVGAM-UHFFFAOYSA-N 0 0 305.490 3.698 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034708614 563451380 /nfs/dbraw/zinc/45/13/80/563451380.db2.gz JLPDONVLFQJCSE-UXHICEINSA-N 0 0 323.436 3.939 10 0 DHAERN O=C1CC2=C(CCCC2)N(C(=S)Nc2cccc(Cl)c2)N1 ZINC000045796065 563465776 /nfs/dbraw/zinc/46/57/76/563465776.db2.gz JYPUTIBQGRDDTB-UHFFFAOYSA-N 0 0 321.833 3.602 10 0 DHAERN CC(C)(C)OC(=O)n1nc(C(F)(F)F)cc1C(F)(F)F ZINC000095917967 563530520 /nfs/dbraw/zinc/53/05/20/563530520.db2.gz HAVGXTCGXGRERV-UHFFFAOYSA-N 0 0 304.190 3.704 10 0 DHAERN CC1(C)CCC[C@H]2[C@]3(C)CC[C@@](C)([C@H](O)CO)C[C@H]3CC[C@@]21O ZINC000096023893 563531254 /nfs/dbraw/zinc/53/12/54/563531254.db2.gz OBDGLMHTEAXTDJ-FDGFBPQASA-N 0 0 324.505 3.504 10 0 biogenic DHAERN Oc1cc2ccc(Br)cc2nc1[C@@H]1CCCOC1 ZINC000725267713 563573887 /nfs/dbraw/zinc/57/38/87/563573887.db2.gz SZWPQDCOKLFMSI-SNVBAGLBSA-N 0 0 308.175 3.597 10 0 DHAERN CC(C)(C)Cc1nc2c(Br)cccc2cc1NN ZINC000725268702 563574574 /nfs/dbraw/zinc/57/45/74/563574574.db2.gz ZGGXVDVWSYGESY-UHFFFAOYSA-N 0 0 308.223 3.872 10 0 DHAERN CC(C)C(=O)N1CCCC[C@H]1c1nnc(-c2ccccc2F)o1 ZINC000328612347 563619800 /nfs/dbraw/zinc/61/98/00/563619800.db2.gz OLRUZSKUZSDLGG-AWEZNQCLSA-N 0 0 317.364 3.585 10 0 DHAERN CC(=O)Oc1ccc(-c2[nH]c3ccc(OC(C)=O)cc3c2C)cc1 ZINC000002576156 563692314 /nfs/dbraw/zinc/69/23/14/563692314.db2.gz SWALANJAJJSJLM-UHFFFAOYSA-N 0 0 323.348 3.994 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(COc2ccccc2F)n1 ZINC000190399669 563796573 /nfs/dbraw/zinc/79/65/73/563796573.db2.gz JJPNHNBFVBBLEY-NHYWBVRUSA-N 0 0 320.364 3.706 10 0 DHAERN CC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104213 563894373 /nfs/dbraw/zinc/89/43/73/563894373.db2.gz FUSLSEXIXNBEDD-QGZVFWFLSA-N 0 0 323.358 3.877 10 0 DHAERN CC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104212 563894462 /nfs/dbraw/zinc/89/44/62/563894462.db2.gz FUSLSEXIXNBEDD-KRWDZBQOSA-N 0 0 323.358 3.877 10 0 DHAERN CC(C)(C)C(=O)N1CCC[C@H](OCc2cc(F)ccc2F)C1 ZINC000036315536 563894978 /nfs/dbraw/zinc/89/49/78/563894978.db2.gz ZESFJPITNLGCMT-AWEZNQCLSA-N 0 0 311.372 3.519 10 0 DHAERN CCc1ccc(C(=O)Nc2cc(N)ccc2N(CC)CC)cc1 ZINC000226260622 563913233 /nfs/dbraw/zinc/91/32/33/563913233.db2.gz FRFFKYYGIIBFKB-UHFFFAOYSA-N 0 0 311.429 3.930 10 0 DHAERN CCC(CC)n1nc(C)cc1C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000252527530 563916789 /nfs/dbraw/zinc/91/67/89/563916789.db2.gz CUPFPULXTITWIA-GDBMZVCRSA-N 0 0 303.450 3.957 10 0 DHAERN COc1ccc(OC)c(CCC(=O)Nc2cc(C)cc(C)c2)c1 ZINC000030869217 563923934 /nfs/dbraw/zinc/92/39/34/563923934.db2.gz PTJNNTPDEWDVQK-UHFFFAOYSA-N 0 0 313.397 3.892 10 0 DHAERN CSCCSCC(=O)c1ccc(Br)cc1 ZINC000320325348 563924796 /nfs/dbraw/zinc/92/47/96/563924796.db2.gz HOIYQTPRDXYTNX-UHFFFAOYSA-N 0 0 305.262 3.728 10 0 DHAERN O=C1S/C(=C/c2nc3ccccc3[nH]2)C(=O)N1c1ccccc1 ZINC000027533819 563925176 /nfs/dbraw/zinc/92/51/76/563925176.db2.gz WJIRAJSMSNHJOZ-GXDHUFHOSA-N 0 0 321.361 3.804 10 0 DHAERN Cc1cccc2c1N=C(C)C[C@@H]2OCC(=O)NCc1ccccc1 ZINC000227148504 563941296 /nfs/dbraw/zinc/94/12/96/563941296.db2.gz YKXJZNHXPAMCGZ-SFHVURJKSA-N 0 0 322.408 3.865 10 0 DHAERN Brc1cscc1[C@H]1NCCc2sccc21 ZINC000397143105 568414995 /nfs/dbraw/zinc/41/49/95/568414995.db2.gz DRUCYTNAWSKBQI-NSHDSACASA-N 0 0 300.246 3.807 10 0 DHAERN C[C@@H]1C[C@H](C(=O)[O-])C[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722135616 955193249 /nfs/dbraw/zinc/19/32/49/955193249.db2.gz MVDJOFDGZGXYBT-PWSUYJOCSA-N 0 0 316.228 3.579 10 0 DHAERN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722136143 955193362 /nfs/dbraw/zinc/19/33/62/955193362.db2.gz QYBXKCXRROHRPV-JQWIXIFHSA-N 0 0 316.228 3.721 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@H]2CC23CCCC3)c(Br)c1 ZINC000387343574 972118522 /nfs/dbraw/zinc/11/85/22/972118522.db2.gz UIRPZFBHLALGMQ-ZDUSSCGKSA-N 0 0 324.218 3.570 10 0 DHAERN C[C@H]([NH2+]CC(C)(C)c1cccs1)c1ncc(C(=O)[O-])s1 ZINC000314596805 963775368 /nfs/dbraw/zinc/77/53/68/963775368.db2.gz CCKJUUSRTLXYDS-VIFPVBQESA-N 0 0 310.444 3.531 10 0 DHAERN Cc1cc([C@@H](C)NC(=O)N[C@H]2CCOc3ccccc32)c(C)o1 ZINC000067729797 1013782179 /nfs/dbraw/zinc/78/21/79/1013782179.db2.gz DVWIZDIIPDWYTJ-WBMJQRKESA-N 0 0 314.385 3.780 10 0 DHAERN C[C@@H]([NH2+]CCC(C)(C)C(=O)[O-])c1cccc(Br)c1 ZINC000395582988 972807236 /nfs/dbraw/zinc/80/72/36/972807236.db2.gz YZVUYSBNBSTVJF-SNVBAGLBSA-N 0 0 314.223 3.601 10 0 DHAERN Brc1cccnc1N[C@@H]1CCOc2ccccc21 ZINC000051987040 1025789315 /nfs/dbraw/zinc/78/93/15/1025789315.db2.gz QRTVIBDGHVKSKF-GFCCVEGCSA-N 0 0 305.175 3.780 10 0 DHAERN CC[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1cccs1 ZINC000058575175 1025919394 /nfs/dbraw/zinc/91/93/94/1025919394.db2.gz VLZCKISKFPSORQ-CHWSQXEVSA-N 0 0 302.399 3.632 10 0 DHAERN O=C(Cc1cccs1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062078837 1025937386 /nfs/dbraw/zinc/93/73/86/1025937386.db2.gz LGORUPXIIPCRNI-HNNXBMFYSA-N 0 0 315.438 3.608 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1F ZINC000062093907 1025937441 /nfs/dbraw/zinc/93/74/41/1025937441.db2.gz WGCDJGSNSUCIDS-UHFFFAOYSA-N 0 0 324.355 3.762 10 0 DHAERN O=Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cc1 ZINC000066614366 1030515074 /nfs/dbraw/zinc/51/50/74/1030515074.db2.gz OZBZZLXPIKRAJH-GOSISDBHSA-N 0 0 308.381 3.652 10 0 DHAERN O=C(/C=C/c1cccc(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067046723 1030519701 /nfs/dbraw/zinc/51/97/01/1030519701.db2.gz AXACASAKKXAIFL-PSKZRQQASA-N 0 0 316.401 3.702 10 0 DHAERN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067046375 1030520558 /nfs/dbraw/zinc/52/05/58/1030520558.db2.gz FPHJHRHFFMOBTP-CQSZACIVSA-N 0 0 311.410 3.644 10 0 DHAERN O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2ncon2)c1 ZINC000067923473 1030530829 /nfs/dbraw/zinc/53/08/29/1030530829.db2.gz RNEFYEWGTUQQQL-UHFFFAOYSA-N 0 0 313.744 3.571 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000068174554 1030533700 /nfs/dbraw/zinc/53/37/00/1030533700.db2.gz QULQRLDIEYGHQX-IHRRRGAJSA-N 0 0 323.396 3.630 10 0 DHAERN COc1ccccc1-c1noc(CN(C)c2ccc(F)cc2)n1 ZINC000076775917 1030816818 /nfs/dbraw/zinc/81/68/18/1030816818.db2.gz TYHSEMAEVHPYFU-UHFFFAOYSA-N 0 0 313.332 3.521 10 0 DHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)C[C@H](C)C(C)C)C2)c1 ZINC000081639671 1031564753 /nfs/dbraw/zinc/56/47/53/1031564753.db2.gz JVGZYVOOONJDAK-LSDHHAIUSA-N 0 0 319.445 3.702 10 0 DHAERN CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(C(C)(C)C)cc2)C1 ZINC000095752099 185383826 /nfs/dbraw/zinc/38/38/26/185383826.db2.gz YIWWHBLNPHYESE-INIZCTEOSA-N 0 0 318.461 3.866 10 0 DHAERN CCOC(=O)[C@@H]1c2ccc(F)cc2CCN1c1ccc(F)cc1 ZINC000095743871 185383836 /nfs/dbraw/zinc/38/38/36/185383836.db2.gz BWJONAFBICQYPE-KRWDZBQOSA-N 0 0 317.335 3.632 10 0 DHAERN N[C@@H](c1nc2c(s1)CCC2)c1ccc(F)cc1C(F)(F)F ZINC000096795221 185388792 /nfs/dbraw/zinc/38/87/92/185388792.db2.gz MBMPUUMOTYBQBO-GFCCVEGCSA-N 0 0 316.323 3.838 10 0 DHAERN CCCCc1nc(Cl)c(CN[C@H]2COc3ccccc32)[nH]1 ZINC000088399304 185248326 /nfs/dbraw/zinc/24/83/26/185248326.db2.gz SUXYUNJZQJBTBA-ZDUSSCGKSA-N 0 0 305.809 3.629 10 0 DHAERN CCCCc1nc(Cl)c(CNCc2ccccc2OC)[nH]1 ZINC000088398652 185248560 /nfs/dbraw/zinc/24/85/60/185248560.db2.gz NINYEMNGIJHREM-UHFFFAOYSA-N 0 0 307.825 3.704 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000090223328 185287198 /nfs/dbraw/zinc/28/71/98/185287198.db2.gz UCDQYTZAQZHUAL-RDTXWAMCSA-N 0 0 312.461 3.971 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000090224842 185287409 /nfs/dbraw/zinc/28/74/09/185287409.db2.gz RCGQCHREHYWGIZ-FZKQIMNGSA-N 0 0 310.445 3.651 10 0 DHAERN CCc1c(=O)n2ccsc2nc1-c1nc2ccccc2s1 ZINC000090415322 185295022 /nfs/dbraw/zinc/29/50/22/185295022.db2.gz KDRYTRCPLPSWCM-UHFFFAOYSA-N 0 0 313.407 3.595 10 0 DHAERN CC[C@H](Oc1ccc(OCc2ccccc2)cc1)C(=O)OC ZINC000090413304 185295053 /nfs/dbraw/zinc/29/50/53/185295053.db2.gz CEVFOLUISGGTFZ-KRWDZBQOSA-N 0 0 300.354 3.596 10 0 DHAERN O=C(Cc1ccccc1)Nc1ccc2[nH]c(-c3cn[nH]c3)cc2c1 ZINC000090624727 185307322 /nfs/dbraw/zinc/30/73/22/185307322.db2.gz VTMVTBKZVSEESX-UHFFFAOYSA-N 0 0 316.364 3.739 10 0 DHAERN CCCCNC(=O)c1ccc(-c2nc3ccccc3n2C)s1 ZINC000006856619 190624765 /nfs/dbraw/zinc/62/47/65/190624765.db2.gz WXXFPEYMOFPQKD-UHFFFAOYSA-N 0 0 313.426 3.832 10 0 DHAERN C[C@@](O)(COc1ccccc1Br)c1ccccc1 ZINC000052097805 190682943 /nfs/dbraw/zinc/68/29/43/190682943.db2.gz YESMJVYFYHXXLC-OAHLLOKOSA-N 0 0 307.187 3.736 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(C)c1 ZINC000226284809 201771924 /nfs/dbraw/zinc/77/19/24/201771924.db2.gz RTDJCWVHJYEEOK-UHFFFAOYSA-N 0 0 314.351 3.901 10 0 DHAERN COc1cc(C=O)cc(CSC)c1OCc1ccccc1 ZINC000226288294 201772173 /nfs/dbraw/zinc/77/21/73/201772173.db2.gz HVUBPZMWPRGOJI-UHFFFAOYSA-N 0 0 302.395 3.950 10 0 DHAERN Cc1ccccc1COc1ccc(-c2nn3cnnc3s2)cc1 ZINC000226298515 201773908 /nfs/dbraw/zinc/77/39/08/201773908.db2.gz PDSXMGISHFUPPM-UHFFFAOYSA-N 0 0 322.393 3.740 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)[C@H]1CCCO1 ZINC000108690371 185526787 /nfs/dbraw/zinc/52/67/87/185526787.db2.gz OZPPHVRKZYZSAY-JGNHQEBTSA-N 0 0 309.409 3.627 10 0 DHAERN CNC(=O)c1cccc(NC2CCC(C(F)(F)F)CC2)c1 ZINC000068634158 190778114 /nfs/dbraw/zinc/77/81/14/190778114.db2.gz UZNCLBDETGJPBF-UHFFFAOYSA-N 0 0 300.324 3.579 10 0 DHAERN Brc1nc(-c2ccncc2)sc1Br ZINC000072192894 191073588 /nfs/dbraw/zinc/07/35/88/191073588.db2.gz NPGYTWLITWBZRR-UHFFFAOYSA-N 0 0 320.009 3.730 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)O1 ZINC000146159031 186038060 /nfs/dbraw/zinc/03/80/60/186038060.db2.gz OEXPQEJQYUCEAH-WRWORJQWSA-N 0 0 307.699 3.865 10 0 DHAERN Cc1cc2c3nn(-c4ccccc4)c(=O)c-3c[nH]c2cc1Cl ZINC000072237413 191080911 /nfs/dbraw/zinc/08/09/11/191080911.db2.gz WFRKEOPFXINLTM-UHFFFAOYSA-N 0 0 309.756 3.829 10 0 DHAERN O=C1c2cccnc2C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000000110459 180696214 /nfs/dbraw/zinc/69/62/14/180696214.db2.gz ICXRFXIWLOXMDU-UHFFFAOYSA-N 0 0 316.316 3.675 10 0 DHAERN COc1cccc(-c2ccnc(N3CCc4ccccc4C3)n2)c1 ZINC000072443405 191167822 /nfs/dbraw/zinc/16/78/22/191167822.db2.gz YHFFGZWGDLLLRE-UHFFFAOYSA-N 0 0 317.392 3.715 10 0 DHAERN COc1cccc(-c2ccnc(N3CCc4ccccc43)n2)c1 ZINC000072443430 191167842 /nfs/dbraw/zinc/16/78/42/191167842.db2.gz SFOWXSSOKMYTJK-UHFFFAOYSA-N 0 0 303.365 3.846 10 0 DHAERN COc1ccccc1-c1ccnc2nc(-c3cccs3)nn21 ZINC000072451440 191170581 /nfs/dbraw/zinc/17/05/81/191170581.db2.gz PJAITUJOUPMELV-UHFFFAOYSA-N 0 0 308.366 3.528 10 0 DHAERN Cc1cccc(Nc2nc(N)c3c(n2)CC(C)(C)CC3=O)c1C ZINC000072467678 191174817 /nfs/dbraw/zinc/17/48/17/191174817.db2.gz PKRNJXHUHCCUKV-UHFFFAOYSA-N 0 0 310.401 3.574 10 0 DHAERN C[C@@H](NC(=O)NC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000080634584 192175500 /nfs/dbraw/zinc/17/55/00/192175500.db2.gz ZEGGSPQMJDKBMU-CQSZACIVSA-N 0 0 312.417 3.565 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cccc(C)c2C)c1 ZINC000003482132 181025005 /nfs/dbraw/zinc/02/50/05/181025005.db2.gz IXDFVFJRZOZECO-DHZHZOJOSA-N 0 0 311.381 3.973 10 0 DHAERN Cc1ccc(N2C(=O)CC(c3nc4ccccc4s3)=C2N)cc1 ZINC000003885556 181052165 /nfs/dbraw/zinc/05/21/65/181052165.db2.gz UVKPLMBMMLBXMG-UHFFFAOYSA-N 0 0 321.405 3.669 10 0 DHAERN Cc1ccc(-c2cc(C(F)F)nc(NC[C@H]3CCCO3)n2)cc1 ZINC000003896186 181053787 /nfs/dbraw/zinc/05/37/87/181053787.db2.gz POEJNBCTRBLOCD-CYBMUJFWSA-N 0 0 319.355 3.981 10 0 DHAERN C[C@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2 ZINC000003822836 181047328 /nfs/dbraw/zinc/04/73/28/181047328.db2.gz KULRLQMNNXXRGL-MRXNPFEDSA-N 0 0 322.330 3.852 10 0 DHAERN COc1cccc(-c2cc(=O)[nH]c(-c3cccc(Cl)c3)n2)c1 ZINC000073696359 191343164 /nfs/dbraw/zinc/34/31/64/191343164.db2.gz CVHCHIQZLMOSTA-UHFFFAOYSA-N 0 0 312.756 3.766 10 0 DHAERN COC(=O)c1cc(Br)ccc1OCC1CCCC1 ZINC000073711425 191346780 /nfs/dbraw/zinc/34/67/80/191346780.db2.gz ZOXPVICQALULMC-UHFFFAOYSA-N 0 0 313.191 3.805 10 0 DHAERN O=C(/C=C/c1ccc(Br)cc1)Nc1nccs1 ZINC000005512948 181251770 /nfs/dbraw/zinc/25/17/70/181251770.db2.gz UCGRLOIUWOICLM-ZZXKWVIFSA-N 0 0 309.188 3.558 10 0 DHAERN COc1cc(SC)ccc1C(=O)n1c(C)nc2ccccc21 ZINC000005588585 181260928 /nfs/dbraw/zinc/26/09/28/181260928.db2.gz STBMNOXQMABFTK-UHFFFAOYSA-N 0 0 312.394 3.764 10 0 DHAERN Nc1nc(-c2ccccc2)nc2ccc(Br)cc12 ZINC000005660677 181268663 /nfs/dbraw/zinc/26/86/63/181268663.db2.gz DMQSQZDCGALIHF-UHFFFAOYSA-N 0 0 300.159 3.642 10 0 DHAERN CS(=O)(=O)c1cccc(-c2ccc(Br)cc2)c1 ZINC000081161352 192231663 /nfs/dbraw/zinc/23/16/63/192231663.db2.gz GOXFRRIZCFCXKB-UHFFFAOYSA-N 0 0 311.200 3.520 10 0 DHAERN CC1(C)COC(c2cccc([C@H](O)c3ccc(Cl)cc3)c2)=N1 ZINC000005741562 181279176 /nfs/dbraw/zinc/27/91/76/181279176.db2.gz ZJUXCZVDGIBZEE-MRXNPFEDSA-N 0 0 315.800 3.977 10 0 DHAERN COc1ccccc1/C=C\c1cc(OC)c(OC)c(OC)c1 ZINC000005808056 181285918 /nfs/dbraw/zinc/28/59/18/181285918.db2.gz OTYSBQKXEWBXFR-KTKRTIGZSA-N 0 0 300.354 3.891 10 0 DHAERN CCC[C@H](C)NC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000006138960 181315986 /nfs/dbraw/zinc/31/59/86/181315986.db2.gz UXRACUIDMGVBFX-AWEZNQCLSA-N 0 0 310.397 3.857 10 0 DHAERN C[C@H]1C[C@H](C)CN(C(=O)/C=C/c2ccc(Br)cc2)C1 ZINC000006253770 181322746 /nfs/dbraw/zinc/32/27/46/181322746.db2.gz KIMQUNKWJBREQP-BVAIOKDQSA-N 0 0 322.246 3.967 10 0 DHAERN COc1cc2nc(Cl)nc(-c3ccccc3)c2cc1OC ZINC000205485629 201427628 /nfs/dbraw/zinc/42/76/28/201427628.db2.gz DPXABKMDRCJVIV-UHFFFAOYSA-N 0 0 300.745 3.967 10 0 DHAERN CCOC(=O)C=C(c1ccccc1)c1cccc2[nH]nc(OC)c21 ZINC000204055852 201428037 /nfs/dbraw/zinc/42/80/37/201428037.db2.gz WRPROCXSYHYAIU-QINSGFPZSA-N 0 0 322.364 3.566 10 0 DHAERN CCOc1ccc(NC(=O)c2ccc(OC(=O)CC)cc2)cc1 ZINC000006782859 181387932 /nfs/dbraw/zinc/38/79/32/181387932.db2.gz XIWCEXWXAKXZFG-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN CC(C)n1cc(I)c2c1cccc2C=O ZINC000253572447 202902014 /nfs/dbraw/zinc/90/20/14/202902014.db2.gz QEGAHMRWIURMKV-UHFFFAOYSA-N 0 0 313.138 3.639 10 0 DHAERN O=C(/C=C/c1c(F)cccc1Cl)Nc1cccc(CO)c1 ZINC000008032090 181520127 /nfs/dbraw/zinc/52/01/27/181520127.db2.gz IMQLHDXPQVTEOF-BQYQJAHWSA-N 0 0 305.736 3.623 10 0 DHAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)(C)O)cc1 ZINC000008785985 181586709 /nfs/dbraw/zinc/58/67/09/181586709.db2.gz PTLQBAUVXNYNGO-UHFFFAOYSA-N 0 0 310.397 3.651 10 0 DHAERN CN(Cc1ccco1)c1nncc(-c2cc3ccccc3o2)n1 ZINC000012453326 181764183 /nfs/dbraw/zinc/76/41/83/181764183.db2.gz CHHMTEBWGQDEAD-UHFFFAOYSA-N 0 0 306.325 3.514 10 0 DHAERN O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1ccccc1F ZINC000012864526 181804976 /nfs/dbraw/zinc/80/49/76/181804976.db2.gz VNLLIDNHQYAEGI-UHFFFAOYSA-N 0 0 314.291 3.801 10 0 DHAERN O=C(Cc1cc(-c2cccs2)on1)Nc1ccccc1F ZINC000012869005 181805183 /nfs/dbraw/zinc/80/51/83/181805183.db2.gz CXUNEWLFSUHQOS-UHFFFAOYSA-N 0 0 302.330 3.723 10 0 DHAERN Cc1ccc(Cl)cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000014002691 181919309 /nfs/dbraw/zinc/91/93/09/181919309.db2.gz HBXYJAQKRCGLFN-VOTSOKGWSA-N 0 0 320.801 3.768 10 0 DHAERN C[C@H]1[C@H](NC(=O)c2cnc(Cl)c(Cl)c2)CCC[C@@H]1C ZINC000015792242 182018437 /nfs/dbraw/zinc/01/84/37/182018437.db2.gz VITMZNRKMRVGQZ-YGOYTEALSA-N 0 0 301.217 3.943 10 0 DHAERN Cc1cccc(N)c1C(=O)Nc1ccc(Br)cc1F ZINC000019264178 182111659 /nfs/dbraw/zinc/11/16/59/182111659.db2.gz YDIZPQINOKBOIR-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN COc1ccc(OCc2ccccc2Br)c(N)c1 ZINC000019403566 182121998 /nfs/dbraw/zinc/12/19/98/182121998.db2.gz WLCQVSSKKDSBKT-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN Cc1cc2ncn(-c3ccc(Br)cc3N)c2cc1C ZINC000019434243 182123247 /nfs/dbraw/zinc/12/32/47/182123247.db2.gz JHWFAAJUUMTIBR-UHFFFAOYSA-N 0 0 316.202 3.987 10 0 DHAERN Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccc(O)c1 ZINC000019733673 182139594 /nfs/dbraw/zinc/13/95/94/182139594.db2.gz OLOWSFAGBSTWDL-UHFFFAOYSA-N 0 0 305.399 3.625 10 0 DHAERN Cc1ccc(C(=O)Nc2ccc(N)c(C(F)(F)F)c2)s1 ZINC000019803819 182151879 /nfs/dbraw/zinc/15/18/79/182151879.db2.gz NGPJZWSAWKTRSF-UHFFFAOYSA-N 0 0 300.305 3.910 10 0 DHAERN Cc1c(-c2ccc(Br)cc2)nc2ccc(N)cn12 ZINC000019953227 182169152 /nfs/dbraw/zinc/16/91/52/182169152.db2.gz PZTTWYZTQUTPQH-UHFFFAOYSA-N 0 0 302.175 3.654 10 0 DHAERN CCOC(=O)c1ccc(Nc2ncnc3sc(C)cc32)cc1 ZINC000019948469 182169411 /nfs/dbraw/zinc/16/94/11/182169411.db2.gz VBIUCLRWBYPTDP-UHFFFAOYSA-N 0 0 313.382 3.920 10 0 DHAERN Cc1ccc(Oc2ccc(C(N)=O)cc2)c(Br)c1 ZINC000020077721 182185395 /nfs/dbraw/zinc/18/53/95/182185395.db2.gz FAXUEEKXYPICOE-UHFFFAOYSA-N 0 0 306.159 3.649 10 0 DHAERN COc1ccc(NC(=O)CCc2cccc(N)c2)cc1Cl ZINC000020187144 182195553 /nfs/dbraw/zinc/19/55/53/182195553.db2.gz LBAAGPMGLAFSBA-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN Cc1sc2ncnc(NC[C@H](C)O)c2c1-c1ccc(C)cc1 ZINC000020322669 182206909 /nfs/dbraw/zinc/20/69/09/182206909.db2.gz RSODBPZFCOUMTD-NSHDSACASA-N 0 0 313.426 3.768 10 0 DHAERN C[C@@H](O)CNc1ncnc2sc3c(c21)CC[C@@H](C(C)(C)C)C3 ZINC000020322941 182207012 /nfs/dbraw/zinc/20/70/12/182207012.db2.gz LYLHPWNGHDCNTL-GHMZBOCLSA-N 0 0 319.474 3.635 10 0 DHAERN Cc1ccc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)cc1 ZINC000020335917 182209192 /nfs/dbraw/zinc/20/91/92/182209192.db2.gz VICAZCRXLBVITJ-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN Cc1ccccc1C(=O)Nc1nc(-c2cccc(N)c2)cs1 ZINC000020336181 182209214 /nfs/dbraw/zinc/20/92/14/182209214.db2.gz QOQXWTXNBVKJRE-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN Nc1ccc(NC(=O)c2ccc(F)c(F)c2F)c(Cl)c1 ZINC000020345515 182210341 /nfs/dbraw/zinc/21/03/41/182210341.db2.gz MYFWNZDQPALBOF-UHFFFAOYSA-N 0 0 300.667 3.592 10 0 DHAERN CC(C)NC(=O)[C@H](C)Nc1c(Cl)cc(Cl)cc1Cl ZINC000020505302 182225756 /nfs/dbraw/zinc/22/57/56/182225756.db2.gz MVSNLWDLLGPTIZ-ZETCQYMHSA-N 0 0 309.624 3.972 10 0 DHAERN CC[C@H](C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 ZINC000021126579 182266135 /nfs/dbraw/zinc/26/61/35/182266135.db2.gz CXDMOACDTYUHKO-LBPRGKRZSA-N 0 0 322.364 3.840 10 0 DHAERN O=Cc1c(Sc2ccc3c(c2)CCC3)nc2sccn12 ZINC000022159834 182311346 /nfs/dbraw/zinc/31/13/46/182311346.db2.gz TZIDKNRCDYQDLZ-UHFFFAOYSA-N 0 0 300.408 3.848 10 0 DHAERN COc1ccc(C(=O)N[C@@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000023482609 182362437 /nfs/dbraw/zinc/36/24/37/182362437.db2.gz XXBQTARKTFXRNK-JTQLQIEISA-N 0 0 305.761 3.545 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](C[C@H](F)[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000029052100 182550423 /nfs/dbraw/zinc/55/04/23/182550423.db2.gz YUIAWFKQFLYPGL-ZXHZLALASA-N 0 0 308.437 3.907 10 0 DHAERN CC[C@H](C)c1nn(C)c(N)c1-c1cccc(Br)c1 ZINC000036765926 182842094 /nfs/dbraw/zinc/84/20/94/182842094.db2.gz TWFVDNZNBLLYQO-VIFPVBQESA-N 0 0 308.223 3.945 10 0 DHAERN NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccs1 ZINC000036422607 182825619 /nfs/dbraw/zinc/82/56/19/182825619.db2.gz KVUODIKVVCDUSB-GFCCVEGCSA-N 0 0 321.858 3.796 10 0 DHAERN CSc1ccccc1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000036957291 182854469 /nfs/dbraw/zinc/85/44/69/182854469.db2.gz RLUCMNCKUTWJTE-GFCCVEGCSA-N 0 0 321.467 3.985 10 0 DHAERN CCCCC[C@H](Nc1ccccc1Br)C(=O)OC ZINC000037959986 182942535 /nfs/dbraw/zinc/94/25/35/182942535.db2.gz NEHRNEFVFYBRQQ-ZDUSSCGKSA-N 0 0 314.223 3.983 10 0 DHAERN CC[C@H](C)N[C@](C)(C(=O)OC)c1ccc(Cl)cc1Cl ZINC000038066599 182985284 /nfs/dbraw/zinc/98/52/84/182985284.db2.gz WRDCDPOBPXYRRC-XPTSAGLGSA-N 0 0 304.217 3.770 10 0 DHAERN O=C(n1c(COc2ccccc2)nc2ccccc21)C(F)(F)F ZINC000039763884 183021436 /nfs/dbraw/zinc/02/14/36/183021436.db2.gz GYHAHAWHGSSLPN-UHFFFAOYSA-N 0 0 320.270 3.818 10 0 DHAERN CC(C)(C)OC(=O)N1CCc2c(csc2Br)C1 ZINC000039698255 183021695 /nfs/dbraw/zinc/02/16/95/183021695.db2.gz JEEOINMLTRTGRF-UHFFFAOYSA-N 0 0 318.236 3.804 10 0 DHAERN Cc1cccc2c(C)cc(SCC(=O)N3CCCC3)nc12 ZINC000040167151 183042817 /nfs/dbraw/zinc/04/28/17/183042817.db2.gz JGHGHIMQJLXCAF-UHFFFAOYSA-N 0 0 300.427 3.566 10 0 DHAERN Nc1cc(Br)ccc1NC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000040176650 183044460 /nfs/dbraw/zinc/04/44/60/183044460.db2.gz WKQNLIHQGCRGSQ-OUAUKWLOSA-N 0 0 323.234 3.796 10 0 DHAERN C/C=C\C(=O)NCCCc1nc2ccccc2n1CCC(C)C ZINC000040210240 183045596 /nfs/dbraw/zinc/04/55/96/183045596.db2.gz XVUIZOTZMRPZLN-YWEYNIOJSA-N 0 0 313.445 3.707 10 0 DHAERN C/C=C\C(=O)NCCCc1nc2ccccc2n1CCCCC ZINC000040210241 183045810 /nfs/dbraw/zinc/04/58/10/183045810.db2.gz UXKQXUIVMGLPOG-WMZJFQQLSA-N 0 0 313.445 3.851 10 0 DHAERN CCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040276532 183050832 /nfs/dbraw/zinc/05/08/32/183050832.db2.gz GZDZWKXOEWHUGX-UHFFFAOYSA-N 0 0 307.397 3.685 10 0 DHAERN CC(C)c1ccc(C(=O)Nc2nnc(-c3cccnc3)s2)cc1 ZINC000040311694 183053287 /nfs/dbraw/zinc/05/32/87/183053287.db2.gz UEXQUIJDSDIRKH-UHFFFAOYSA-N 0 0 324.409 3.976 10 0 DHAERN Cc1ccccc1Cn1c2cc(C)c(C)cc2nc1CCCO ZINC000040310949 183053434 /nfs/dbraw/zinc/05/34/34/183053434.db2.gz BUTXNCKFZRHOTN-UHFFFAOYSA-N 0 0 308.425 3.935 10 0 DHAERN C[C@H](Oc1cccc(N)c1)C(=O)c1ccc(Br)cc1 ZINC000040353659 183055989 /nfs/dbraw/zinc/05/59/89/183055989.db2.gz FVELTAKQJJHRHC-JTQLQIEISA-N 0 0 320.186 3.682 10 0 DHAERN OCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 ZINC000040417777 183063391 /nfs/dbraw/zinc/06/33/91/183063391.db2.gz KALYRWIJVXUOAI-UHFFFAOYSA-N 0 0 306.287 3.596 10 0 DHAERN CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1 ZINC000040442956 183067601 /nfs/dbraw/zinc/06/76/01/183067601.db2.gz VBFZGFFAMGHBAF-UHFFFAOYSA-N 0 0 317.364 3.509 10 0 DHAERN CCCCNc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040706469 183121285 /nfs/dbraw/zinc/12/12/85/183121285.db2.gz XAQPFCJHTPDQPZ-UHFFFAOYSA-N 0 0 309.373 3.611 10 0 DHAERN CC(C)(C)Nc1ncnc(Nc2cccc3ncccc32)c1N ZINC000040680669 183117188 /nfs/dbraw/zinc/11/71/88/183117188.db2.gz KVMFOGNLULQIJI-UHFFFAOYSA-N 0 0 308.389 3.561 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3cccc(C)n3)c2N)c1 ZINC000040685554 183117735 /nfs/dbraw/zinc/11/77/35/183117735.db2.gz DQJXCDRRHPGAGF-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1cccc(Nc2ncnc(N(C)c3ccccc3)c2N)c1 ZINC000040688014 183117737 /nfs/dbraw/zinc/11/77/37/183117737.db2.gz YWFUBGFEVSSTIZ-UHFFFAOYSA-N 0 0 321.384 3.579 10 0 DHAERN CCc1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1 ZINC000040688468 183117758 /nfs/dbraw/zinc/11/77/58/183117758.db2.gz KTNSOMAPIYMBSM-UHFFFAOYSA-N 0 0 306.373 3.503 10 0 DHAERN COc1cccc(Nc2ncnc(Nc3cccc(C)c3)c2N)c1 ZINC000040688045 183117950 /nfs/dbraw/zinc/11/79/50/183117950.db2.gz CHWRKJPCNIJYMF-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN CC(C)Nc1ncnc(Nc2ccccc2C(F)(F)F)c1N ZINC000040701704 183119831 /nfs/dbraw/zinc/11/98/31/183119831.db2.gz GGOKOHDWBRYCTJ-UHFFFAOYSA-N 0 0 311.311 3.642 10 0 DHAERN CC(C)Oc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040704223 183120300 /nfs/dbraw/zinc/12/03/00/183120300.db2.gz WBAVOXDEXTYQJY-UHFFFAOYSA-N 0 0 313.188 3.896 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(NC2CCCCC2)c1N ZINC000040708463 183120748 /nfs/dbraw/zinc/12/07/48/183120748.db2.gz VZIOMWFRQRCIBC-UHFFFAOYSA-N 0 0 319.497 3.922 10 0 DHAERN CC(C)Nc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040708175 183120987 /nfs/dbraw/zinc/12/09/87/183120987.db2.gz NTHIHOZXMWKGTL-UHFFFAOYSA-N 0 0 311.311 3.642 10 0 DHAERN CC(C)Nc1ncnc(Sc2cccc3cccnc32)c1N ZINC000040708394 183121036 /nfs/dbraw/zinc/12/10/36/183121036.db2.gz CYNUFTJUJBMMCH-UHFFFAOYSA-N 0 0 311.414 3.579 10 0 DHAERN CC(C)Oc1ncnc(Nc2cccc(C(F)(F)F)c2)c1N ZINC000040781955 183133210 /nfs/dbraw/zinc/13/32/10/183133210.db2.gz PCNANPLGGOZDLK-UHFFFAOYSA-N 0 0 312.295 3.608 10 0 DHAERN Cc1ccc(Sc2ncnc(NC3CCCC3)c2N)cc1 ZINC000040783427 183133730 /nfs/dbraw/zinc/13/37/30/183133730.db2.gz TZQCYGYWBMVDEG-UHFFFAOYSA-N 0 0 300.431 3.873 10 0 DHAERN CCN(CC)c1ncnc(Oc2ccc(Cl)c(C)c2)c1N ZINC000040723320 183124625 /nfs/dbraw/zinc/12/46/25/183124625.db2.gz IQFNFJQGTBIYKB-UHFFFAOYSA-N 0 0 306.797 3.659 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1cccnc1 ZINC000040759689 183130300 /nfs/dbraw/zinc/13/03/00/183130300.db2.gz OMYNVBLOCRURCD-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN CCc1ccccc1NC(=S)NC(=O)CCc1ccccc1 ZINC000040898520 183147109 /nfs/dbraw/zinc/14/71/09/183147109.db2.gz SETBILLPEIOONP-UHFFFAOYSA-N 0 0 312.438 3.695 10 0 DHAERN CCCCC(=O)NC(=S)Nc1cc(C)c(Cl)cc1OC ZINC000040898257 183147319 /nfs/dbraw/zinc/14/73/19/183147319.db2.gz JYFNOYADTZVRGQ-UHFFFAOYSA-N 0 0 314.838 3.660 10 0 DHAERN CCC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC ZINC000040939733 183149542 /nfs/dbraw/zinc/14/95/42/183149542.db2.gz XWRPRMXDUHHDFO-UHFFFAOYSA-N 0 0 321.373 3.998 10 0 DHAERN CCOc1ccccc1-c1cn2c(C)c(C(C)=O)sc2n1 ZINC000041005674 183155867 /nfs/dbraw/zinc/15/58/67/183155867.db2.gz VZYLVUVFPBNBIY-UHFFFAOYSA-N 0 0 300.383 3.973 10 0 DHAERN O=C(Nc1ccc(F)cc1)c1cnc2cc(Cl)ccc2c1O ZINC000041056013 183159931 /nfs/dbraw/zinc/15/99/31/183159931.db2.gz WGDBVJGHXPEESH-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN COc1ccc2nccc(NC(=O)CCc3ccccc3)c2c1 ZINC000041058031 183161134 /nfs/dbraw/zinc/16/11/34/183161134.db2.gz ULWPTCAKRJRMHH-UHFFFAOYSA-N 0 0 306.365 3.815 10 0 DHAERN C[C@@H]1CCCC[C@@H]1N(C)c1cc(Br)ccc1CO ZINC000042608653 183290308 /nfs/dbraw/zinc/29/03/08/183290308.db2.gz ZFZGYHSCQPCEPF-RISCZKNCSA-N 0 0 312.251 3.956 10 0 DHAERN C[C@@H](N(C)CC(=O)c1ccccc1Br)C(C)(C)C ZINC000042773722 183306621 /nfs/dbraw/zinc/30/66/21/183306621.db2.gz DOJLUQFMUQYKPF-LLVKDONJSA-N 0 0 312.251 3.998 10 0 DHAERN O=C1CCCCCCN1Cc1sccc1Br ZINC000043678609 183379521 /nfs/dbraw/zinc/37/95/21/183379521.db2.gz BPWGEOZKUYZWRM-UHFFFAOYSA-N 0 0 302.237 3.803 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CCc2ccc(O)cc2)o1 ZINC000043719956 183383440 /nfs/dbraw/zinc/38/34/40/183383440.db2.gz QSEKIOIRKLIKGL-GXTWGEPZSA-N 0 0 316.401 3.675 10 0 DHAERN FC(F)(F)c1ccc(-c2cnc(Br)cn2)cc1 ZINC000044117511 183394712 /nfs/dbraw/zinc/39/47/12/183394712.db2.gz KNICTXJYDGYPQF-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cc(F)ccc32)CC1 ZINC000044136738 183396741 /nfs/dbraw/zinc/39/67/41/183396741.db2.gz HHQDLPCIGFDPQJ-UHFFFAOYSA-N 0 0 319.376 3.681 10 0 DHAERN C[C@H](NC(=O)N(C)Cc1cccc2ccccc21)[C@H]1CCCO1 ZINC000046971149 183575857 /nfs/dbraw/zinc/57/58/57/183575857.db2.gz SMCQEFLZENKNME-KBXCAEBGSA-N 0 0 312.413 3.549 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000105857216 194147361 /nfs/dbraw/zinc/14/73/61/194147361.db2.gz MLMLVUQEFMEJIK-KRWDZBQOSA-N 0 0 319.408 3.822 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)c1 ZINC000105857211 194147583 /nfs/dbraw/zinc/14/75/83/194147583.db2.gz MLMLVUQEFMEJIK-QGZVFWFLSA-N 0 0 319.408 3.822 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1Cc2ccccc2C1 ZINC000106258044 194193099 /nfs/dbraw/zinc/19/30/99/194193099.db2.gz SBBNUBMJJLKKRW-ZIAGYGMSSA-N 0 0 312.335 3.833 10 0 DHAERN Cc1nnc(NC(=O)N[C@H](C)c2ccc(F)c(Cl)c2)s1 ZINC000048954849 183699172 /nfs/dbraw/zinc/69/91/72/183699172.db2.gz WQLQQEHTSHAPSH-ZCFIWIBFSA-N 0 0 314.773 3.522 10 0 DHAERN Fc1cc(Br)ccc1COCCc1ccccn1 ZINC000049600818 183747565 /nfs/dbraw/zinc/74/75/65/183747565.db2.gz FHAQTASYQYOMBZ-UHFFFAOYSA-N 0 0 310.166 3.743 10 0 DHAERN CC(C)N(CC(F)(F)F)c1cccc(Cl)c1C(N)=S ZINC000052907321 183879597 /nfs/dbraw/zinc/87/95/97/183879597.db2.gz FDXVDIFUPAZCCH-UHFFFAOYSA-N 0 0 310.772 3.751 10 0 DHAERN O[C@@H](Cc1ccccc1)Cc1ccc(Br)cc1F ZINC000053782766 183912525 /nfs/dbraw/zinc/91/25/25/183912525.db2.gz VABDZALYBULYEU-AWEZNQCLSA-N 0 0 309.178 3.734 10 0 DHAERN CCOC(=O)c1c(N)n(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000053994099 183919187 /nfs/dbraw/zinc/91/91/87/183919187.db2.gz AWIOUAZNLUHGPF-UHFFFAOYSA-N 0 0 321.380 3.607 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3cccc(F)c3C)n2)c1 ZINC000057342033 184034346 /nfs/dbraw/zinc/03/43/46/184034346.db2.gz UZPVVTDGOYDDRF-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN c1csc(C2=NN(c3ccccc3)N(c3ccccc3)N2)c1 ZINC000060003849 184143132 /nfs/dbraw/zinc/14/31/32/184143132.db2.gz UBJIPDGISJLPQU-UHFFFAOYSA-N 0 0 306.394 3.856 10 0 DHAERN O=C(Nc1ccc(Br)nc1)OCc1ccccc1 ZINC000062194020 184218204 /nfs/dbraw/zinc/21/82/04/184218204.db2.gz JWDPWESVZBCECT-UHFFFAOYSA-N 0 0 307.147 3.593 10 0 DHAERN Nc1onc([C@@H]2CCCOC2)c1-c1ccccc1Br ZINC000062238241 184223965 /nfs/dbraw/zinc/22/39/65/184223965.db2.gz HUDSZRROWONSKO-SECBINFHSA-N 0 0 323.190 3.580 10 0 DHAERN CCOC(=O)c1sc(COc2c(C)cccc2C)nc1C ZINC000064872533 184305204 /nfs/dbraw/zinc/30/52/04/184305204.db2.gz REXWMIOZYZVUBA-UHFFFAOYSA-N 0 0 305.399 3.824 10 0 DHAERN CC(C)(C)CC(=O)NCc1cccnc1-c1ccc(F)cc1 ZINC000065171274 184313618 /nfs/dbraw/zinc/31/36/18/184313618.db2.gz KBNAMVXUPAKIST-UHFFFAOYSA-N 0 0 300.377 3.940 10 0 DHAERN COC(=O)c1cc(-c2cc(O)cc(C(F)(F)F)c2)cs1 ZINC000065344301 184326029 /nfs/dbraw/zinc/32/60/29/184326029.db2.gz DHPOOPPIKQPZBH-UHFFFAOYSA-N 0 0 302.273 3.926 10 0 DHAERN CC(C)C(=O)Nc1cccc(-n2ccnc2-c2ccccn2)c1 ZINC000065375575 184331606 /nfs/dbraw/zinc/33/16/06/184331606.db2.gz IHQPVQDUXADTJE-UHFFFAOYSA-N 0 0 306.369 3.529 10 0 DHAERN Cc1ccc(Sc2ccc([C@@H]3NCCc4nc[nH]c43)o2)cc1 ZINC000065492070 184353626 /nfs/dbraw/zinc/35/36/26/184353626.db2.gz SWCQRNMZQNXWCT-KRWDZBQOSA-N 0 0 311.410 3.697 10 0 DHAERN CC(C)c1noc(CN2C[C@@H](c3ccccc3)OCC2(C)C)n1 ZINC000066896969 184437738 /nfs/dbraw/zinc/43/77/38/184437738.db2.gz MMZZEHNYDVVYRI-HNNXBMFYSA-N 0 0 315.417 3.545 10 0 DHAERN Cc1cc([C@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)c(C)o1 ZINC000067729795 184483529 /nfs/dbraw/zinc/48/35/29/184483529.db2.gz DVWIZDIIPDWYTJ-BLLLJJGKSA-N 0 0 314.385 3.780 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@H]2O1 ZINC000249691139 257107166 /nfs/dbraw/zinc/10/71/66/257107166.db2.gz LCVJGQWAVQGINB-IXPVHAAZSA-N 0 0 319.788 3.726 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)CC[C@@H]2O1 ZINC000249691138 257107501 /nfs/dbraw/zinc/10/75/01/257107501.db2.gz LCVJGQWAVQGINB-HCKVZZMMSA-N 0 0 319.788 3.726 10 0 DHAERN CCOCC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cccn21 ZINC000253387067 257105579 /nfs/dbraw/zinc/10/55/79/257105579.db2.gz ZAKBMRYWDWYPTL-SFHVURJKSA-N 0 0 316.445 3.689 10 0 DHAERN CCc1nc(COc2cc(C)ccc2C)sc1C(=O)OC ZINC000334161032 257262614 /nfs/dbraw/zinc/26/26/14/257262614.db2.gz RNAGLQJCOSPPEM-UHFFFAOYSA-N 0 0 305.399 3.688 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(Cl)n1 ZINC000274504208 130240421 /nfs/dbraw/zinc/24/04/21/130240421.db2.gz PXKAOGRGIFSEIE-RQJHMYQMSA-N 0 0 312.744 3.647 10 0 DHAERN C[C@@H]1C[C@H](C)CN(C(=O)C2CCN(c3ccccc3F)CC2)C1 ZINC000018077773 134531477 /nfs/dbraw/zinc/53/14/77/134531477.db2.gz CVNLQBXLCLNVKO-GASCZTMLSA-N 0 0 318.436 3.547 10 0 DHAERN C[S@@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000156131133 332783441 /nfs/dbraw/zinc/78/34/41/332783441.db2.gz FECOUUCEBUTWMH-YVHKJVDXSA-N 0 0 319.470 3.720 10 0 DHAERN CCOc1ccc(C(C)=O)cc1CSCc1nccn1CC ZINC000175273466 332884560 /nfs/dbraw/zinc/88/45/60/332884560.db2.gz DOEYZOODFNZLFR-UHFFFAOYSA-N 0 0 318.442 3.938 10 0 DHAERN C[C@@H](NC(=O)N1CCS[C@H](C)C1)c1ccc(Cl)s1 ZINC000171734489 332907333 /nfs/dbraw/zinc/90/73/33/332907333.db2.gz CWWRGCIPAOSCOA-RKDXNWHRSA-N 0 0 304.868 3.609 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C)C2)cc1OC ZINC000047034359 331494835 /nfs/dbraw/zinc/49/48/35/331494835.db2.gz UMSNLWHSUFBGES-KCQAQPDRSA-N 0 0 320.433 3.643 10 0 DHAERN C[C@H](Nc1ccccc1S(=O)(=O)C(F)F)c1cccs1 ZINC000035737106 331510070 /nfs/dbraw/zinc/51/00/70/331510070.db2.gz FLTZVCHMMBLKGB-VIFPVBQESA-N 0 0 317.382 3.918 10 0 DHAERN CCc1cnc(CCNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180309227 331565986 /nfs/dbraw/zinc/56/59/86/331565986.db2.gz DEPIWQNPCHTUAB-CHWSQXEVSA-N 0 0 308.491 3.827 10 0 DHAERN CCOc1cc(Cl)ccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000180726734 331576524 /nfs/dbraw/zinc/57/65/24/331576524.db2.gz IAPJUEOTPKSPKS-LSDHHAIUSA-N 0 0 323.820 3.522 10 0 DHAERN Clc1cccc(OCCc2nc(Cc3ccccc3)no2)c1 ZINC000109493799 331580906 /nfs/dbraw/zinc/58/09/06/331580906.db2.gz IFNFYFRPFRUNLR-UHFFFAOYSA-N 0 0 314.772 3.935 10 0 DHAERN CCCOc1ccc(Cl)cc1NC(=O)c1cccc(N)c1 ZINC000037767414 331585226 /nfs/dbraw/zinc/58/52/26/331585226.db2.gz PQRXATJWXZIBCT-UHFFFAOYSA-N 0 0 304.777 3.963 10 0 DHAERN O=C(/C=C\c1ccc(Cl)s1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000255375054 331736160 /nfs/dbraw/zinc/73/61/60/331736160.db2.gz MNMHAIYFRCYLMW-SCXUMTSISA-N 0 0 321.833 3.892 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000231692460 331788678 /nfs/dbraw/zinc/78/86/78/331788678.db2.gz MPSXYRAURPRARK-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)ccc1F ZINC000040419514 331845095 /nfs/dbraw/zinc/84/50/95/331845095.db2.gz HPZZJGIDZOOEPA-AWEZNQCLSA-N 0 0 305.736 3.733 10 0 DHAERN CC(C)[C@@]1(C)C[C@@H]1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000186641623 332940592 /nfs/dbraw/zinc/94/05/92/332940592.db2.gz XIVIZIZTGLXLTK-CXAGYDPISA-N 0 0 317.433 3.515 10 0 DHAERN C[C@H](N(C)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(C)CC1 ZINC000176378311 332937310 /nfs/dbraw/zinc/93/73/10/332937310.db2.gz IAEAFGMAHHLNGP-SDDRHHMPSA-N 0 0 306.372 3.938 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000130101173 332022724 /nfs/dbraw/zinc/02/27/24/332022724.db2.gz PPEHXCSQEBHQCL-WBMJQRKESA-N 0 0 302.805 3.923 10 0 DHAERN O=C(NCc1ccccc1Cl)c1cccc2c1CCCN2 ZINC000130110410 332022749 /nfs/dbraw/zinc/02/27/49/332022749.db2.gz RSUFUVZCGWPLKX-UHFFFAOYSA-N 0 0 300.789 3.628 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2ccc(C)c(O)c2)o1 ZINC000089453695 332069693 /nfs/dbraw/zinc/06/96/93/332069693.db2.gz FNJKUGFVUBFOSS-INIZCTEOSA-N 0 0 313.397 3.898 10 0 DHAERN Cc1nc(C)c(C(=O)N[C@@H](C)c2cccc(Br)c2)o1 ZINC000089750239 332076461 /nfs/dbraw/zinc/07/64/61/332076461.db2.gz LMXODQZGDVVBSF-QMMMGPOBSA-N 0 0 323.190 3.545 10 0 DHAERN C[C@H](NC(=O)c1cn(C)nc1C(C)(C)C)c1cccc(Cl)c1 ZINC000092223765 332118148 /nfs/dbraw/zinc/11/81/48/332118148.db2.gz DMSHBNJLOUCFDO-NSHDSACASA-N 0 0 319.836 3.862 10 0 DHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1Br ZINC000176525189 332945950 /nfs/dbraw/zinc/94/59/50/332945950.db2.gz JDXYIVNBXJRALQ-BIMULSAOSA-N 0 0 308.219 3.672 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1occc1Br ZINC000176524763 332945972 /nfs/dbraw/zinc/94/59/72/332945972.db2.gz VJCAGCNJYWETQD-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151187463 332553999 /nfs/dbraw/zinc/55/39/99/332553999.db2.gz SAXGSOICGIIEGT-SOLBZPMBSA-N 0 0 310.482 3.682 10 0 DHAERN CCCOc1ccc([C@@H](C)[NH2+]C2CCC(C(=O)[O-])CC2)cc1 ZINC000262305733 332633792 /nfs/dbraw/zinc/63/37/92/332633792.db2.gz PDGZVRRDGZEEDT-IUDNXUCKSA-N 0 0 305.418 3.769 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)C[C@H](C)O1 ZINC000192421252 332711995 /nfs/dbraw/zinc/71/19/95/332711995.db2.gz UCAXWLXBNSRCDL-YUMQZZPRSA-N 0 0 321.179 3.774 10 0 DHAERN Cc1csc(CN(C)c2ncc(Br)cc2C)n1 ZINC000301664177 332977838 /nfs/dbraw/zinc/97/78/38/332977838.db2.gz ZASBADWBEHELSG-UHFFFAOYSA-N 0 0 312.236 3.554 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2cccs2)c2ccc(F)cc2)O1 ZINC000178254692 333006602 /nfs/dbraw/zinc/00/66/02/333006602.db2.gz GFXUBMGMZZUIFR-MLGOLLRUSA-N 0 0 319.401 3.988 10 0 DHAERN Cc1ccc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2n1 ZINC000178843898 333021120 /nfs/dbraw/zinc/02/11/20/333021120.db2.gz KLGUTGURXAANKD-GOSISDBHSA-N 0 0 318.376 3.797 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2Cl)CCS1 ZINC000171721396 333052825 /nfs/dbraw/zinc/05/28/25/333052825.db2.gz MNUOFIDNMRRBNI-QMMMGPOBSA-N 0 0 305.230 3.963 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)cc1 ZINC000171983745 333056812 /nfs/dbraw/zinc/05/68/12/333056812.db2.gz BOSDGKPCQJLSPV-PKOBYXMFSA-N 0 0 322.408 3.543 10 0 DHAERN Cn1cc(Cl)cc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000027853313 333121887 /nfs/dbraw/zinc/12/18/87/333121887.db2.gz BPSBJFKNKWLRKS-PSASIEDQSA-N 0 0 308.731 3.529 10 0 DHAERN CC(C)Oc1ccc([C@@H](C)NCc2nnc(C(C)C)n2C)cc1 ZINC000179532396 333152125 /nfs/dbraw/zinc/15/21/25/333152125.db2.gz DQGMUNOJMPGTTL-CQSZACIVSA-N 0 0 316.449 3.577 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)CCc1cccc(N(C)C)c1 ZINC000187905613 333152876 /nfs/dbraw/zinc/15/28/76/333152876.db2.gz SYPJYUWSTUBPGB-INIZCTEOSA-N 0 0 310.441 3.871 10 0 DHAERN Cc1cc2occ(C(=O)N3CCC[C@@H]3Cn3ccnc3)c2cc1C ZINC000186036586 333216754 /nfs/dbraw/zinc/21/67/54/333216754.db2.gz PEAGPINXUYNGQR-OAHLLOKOSA-N 0 0 323.396 3.551 10 0 DHAERN COc1ccc(C(=O)Nc2ccccc2OC)c(OC(C)C)c1 ZINC000188200033 333360492 /nfs/dbraw/zinc/36/04/92/333360492.db2.gz ATPKIVFLXQUOCS-UHFFFAOYSA-N 0 0 315.369 3.743 10 0 DHAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000188367581 333364435 /nfs/dbraw/zinc/36/44/35/333364435.db2.gz RMXLSXIYWCNVKI-WDEREUQCSA-N 0 0 318.870 3.511 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)cc1Cl ZINC000188375956 333364653 /nfs/dbraw/zinc/36/46/53/333364653.db2.gz SBHONSIGSGNXQR-YPMHNXCESA-N 0 0 311.809 3.881 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCCc2cc(C)c(O)c(C)c2)o1 ZINC000188500715 333368842 /nfs/dbraw/zinc/36/88/42/333368842.db2.gz QJWGEGCWHSLNMC-AWEZNQCLSA-N 0 0 316.401 3.513 10 0 DHAERN C[C@H]1CCCCN(C(=O)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000186453454 333373757 /nfs/dbraw/zinc/37/37/57/333373757.db2.gz XZSPSMPMFOVXJP-VIFPVBQESA-N 0 0 302.201 3.961 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000187120167 333420557 /nfs/dbraw/zinc/42/05/57/333420557.db2.gz NWAOSYYZRQYKFK-VIFPVBQESA-N 0 0 323.751 3.684 10 0 DHAERN COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000187143438 333422121 /nfs/dbraw/zinc/42/21/21/333422121.db2.gz JBIOBWLVZHPHIR-KBPBESRZSA-N 0 0 313.401 3.520 10 0 DHAERN CCC1CCC(NC(=O)N2CCC([C@H]3CCCO3)CC2)CC1 ZINC000187380861 333432312 /nfs/dbraw/zinc/43/23/12/333432312.db2.gz YMDQUQFVVWLMTP-BDVYOWHSSA-N 0 0 308.466 3.556 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000112178400 334368230 /nfs/dbraw/zinc/36/82/30/334368230.db2.gz OICXDKTUKBSYRN-OAHLLOKOSA-N 0 0 313.397 3.795 10 0 DHAERN CCOc1ccc(C2=CCN(C(=O)N[C@H](C)C(C)C)CC2)cc1 ZINC000093286231 334844895 /nfs/dbraw/zinc/84/48/95/334844895.db2.gz TVXFKYXKXRJZCH-OAHLLOKOSA-N 0 0 316.445 3.929 10 0 DHAERN Cc1ccc(OCCC(=O)N2CCCc3c(N)cccc32)cc1C ZINC000126829223 334867839 /nfs/dbraw/zinc/86/78/39/334867839.db2.gz HGFNWTJURLKCQK-UHFFFAOYSA-N 0 0 324.424 3.634 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 ZINC000113574785 335755944 /nfs/dbraw/zinc/75/59/44/335755944.db2.gz CTQQDGTWRRUUPH-ZDUSSCGKSA-N 0 0 321.490 3.927 10 0 DHAERN CCCc1sc(C(=O)N2CCC[C@H]2CCCO)cc1CC ZINC000052759938 335812459 /nfs/dbraw/zinc/81/24/59/335812459.db2.gz UQPKNFBRAAUDRZ-AWEZNQCLSA-N 0 0 309.475 3.640 10 0 DHAERN C[C@H](NC(=O)c1ncc(F)cc1F)c1ccc(Cl)s1 ZINC000192167355 336017714 /nfs/dbraw/zinc/01/77/14/336017714.db2.gz QUJMJJPQHKMJQA-LURJTMIESA-N 0 0 302.733 3.566 10 0 DHAERN C[C@H]1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)CCS1 ZINC000192432610 336032177 /nfs/dbraw/zinc/03/21/77/336032177.db2.gz VIFXZFOUWYBYPQ-LRDDRELGSA-N 0 0 322.449 3.740 10 0 DHAERN CCOc1oc(C(=O)N2CCCC3(CCCCC3)CC2)nc1C ZINC000330260459 336130935 /nfs/dbraw/zinc/13/09/35/336130935.db2.gz OGXJPBNTFKXICC-UHFFFAOYSA-N 0 0 320.433 3.958 10 0 DHAERN Cc1cccc2c1O[C@H](C(=O)Nc1ccc(C)c3c1CCCN3)C2 ZINC000333057752 336197478 /nfs/dbraw/zinc/19/74/78/336197478.db2.gz HUTNPNAWBGJGDP-KRWDZBQOSA-N 0 0 322.408 3.604 10 0 DHAERN CC(C)[C@H]1N(C(=O)Nc2ccc3ccoc3c2)C[C@]12CCCO2 ZINC000333195502 336199722 /nfs/dbraw/zinc/19/97/22/336199722.db2.gz PLNIDHVVQQKBQA-SJLPKXTDSA-N 0 0 314.385 3.854 10 0 DHAERN Cn1nccc1[C@@H]1CCCCN1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000333409805 336203186 /nfs/dbraw/zinc/20/31/86/336203186.db2.gz GGJHNUKBSWAZJF-KRWDZBQOSA-N 0 0 323.400 3.661 10 0 DHAERN CCCc1cnc(NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)s1 ZINC000333484641 336204544 /nfs/dbraw/zinc/20/45/44/336204544.db2.gz HVGSHOQIOGSRAI-XJKSGUPXSA-N 0 0 323.462 3.517 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000103360771 336240315 /nfs/dbraw/zinc/24/03/15/336240315.db2.gz HHDIILQSWMLTLC-DYVFJYSZSA-N 0 0 317.816 3.828 10 0 DHAERN Cc1cc(F)c(Br)cc1N[C@@H]1CCOC[C@@H]1C ZINC000192867486 336276145 /nfs/dbraw/zinc/27/61/45/336276145.db2.gz IWOYDAJKADMFNI-JOYOIKCWSA-N 0 0 302.187 3.734 10 0 DHAERN C[C@H](NC(=O)NC1CCCC1)c1cccc(Br)c1 ZINC000031043657 336278173 /nfs/dbraw/zinc/27/81/73/336278173.db2.gz KOZWJRYHFGQUSN-JTQLQIEISA-N 0 0 311.223 3.752 10 0 DHAERN c1cnn(CCNc2nc(-c3ccccc3)nc3ccccc32)c1 ZINC000301095529 336289769 /nfs/dbraw/zinc/28/97/69/336289769.db2.gz PJHQVYFOYVEYFB-UHFFFAOYSA-N 0 0 315.380 3.605 10 0 DHAERN CCc1cc2c(ncnc2N[C@@H]2CCN(c3ccccc3)C2)s1 ZINC000301208777 336294946 /nfs/dbraw/zinc/29/49/46/336294946.db2.gz VAEDTYLAKKCPIH-CYBMUJFWSA-N 0 0 324.453 3.945 10 0 DHAERN Cc1csc(CN(C)c2nc(C(F)F)nc3ccccc32)n1 ZINC000301266679 336297805 /nfs/dbraw/zinc/29/78/05/336297805.db2.gz FPFZJIYETQJBAN-UHFFFAOYSA-N 0 0 320.368 3.969 10 0 DHAERN Brc1cncc(N[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000301360956 336302608 /nfs/dbraw/zinc/30/26/08/336302608.db2.gz AJKSSMHFJNXEPV-CYBMUJFWSA-N 0 0 318.218 3.535 10 0 DHAERN CCOC(=O)c1cccc(Oc2ncnc3cccc(C)c32)c1 ZINC000301481485 336309541 /nfs/dbraw/zinc/30/95/41/336309541.db2.gz DWWUSCCZWRIBNI-UHFFFAOYSA-N 0 0 308.337 3.907 10 0 DHAERN Cc1cc(C)cc(OCCN(C)c2nc(C3CC3)ns2)c1 ZINC000301512148 336311645 /nfs/dbraw/zinc/31/16/45/336311645.db2.gz FLNSLLLBDASQSY-UHFFFAOYSA-N 0 0 303.431 3.548 10 0 DHAERN CC[C@@H](CNc1ccc(SC)nn1)Oc1cccc(C)c1 ZINC000301521917 336312087 /nfs/dbraw/zinc/31/20/87/336312087.db2.gz DOWSYNDIXFBZEI-ZDUSSCGKSA-N 0 0 303.431 3.776 10 0 DHAERN OC1(CNc2ccnc3cc(Cl)ccc32)CCSCC1 ZINC000301556169 336314653 /nfs/dbraw/zinc/31/46/53/336314653.db2.gz SCNHSRUZENLSHX-UHFFFAOYSA-N 0 0 308.834 3.558 10 0 DHAERN Cc1cccc2ncnc(N3Cc4ccccc4N(C)C[C@@H]3C)c12 ZINC000301569974 336315689 /nfs/dbraw/zinc/31/56/89/336315689.db2.gz NNMXBMFKNFNLQQ-HNNXBMFYSA-N 0 0 318.424 3.783 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000301575165 336316056 /nfs/dbraw/zinc/31/60/56/336316056.db2.gz SISFYYQPDPJVOU-DCVWQXJKSA-N 0 0 320.380 3.592 10 0 DHAERN C[C@@H]1CN(C)c2ccccc2CN1c1ccnc(C(C)(C)C)n1 ZINC000301585832 336316612 /nfs/dbraw/zinc/31/66/12/336316612.db2.gz VIPZGPOEUXTNTF-CQSZACIVSA-N 0 0 310.445 3.619 10 0 DHAERN CO[C@@H](C)c1nc(CN(C)c2ccnc(C(C)(C)C)n2)cs1 ZINC000301590655 336316926 /nfs/dbraw/zinc/31/69/26/336316926.db2.gz XJTPIPDZBZEORY-NSHDSACASA-N 0 0 320.462 3.574 10 0 DHAERN CC(C)c1nc(CNc2c(F)c(F)nc(F)c2F)cs1 ZINC000301606202 336317969 /nfs/dbraw/zinc/31/79/69/336317969.db2.gz MYKKBBZTLGKQPT-UHFFFAOYSA-N 0 0 305.300 3.830 10 0 DHAERN CC(C)(C)c1cc(NC2CCC(O)CC2)nc(C(C)(C)C)n1 ZINC000301646182 336320449 /nfs/dbraw/zinc/32/04/49/336320449.db2.gz DFMOKJVIWWTCOV-UHFFFAOYSA-N 0 0 305.466 3.787 10 0 DHAERN COCc1nc(C)cc(NC[C@H]2C[C@]23CCCc2ccccc23)n1 ZINC000301664186 336321685 /nfs/dbraw/zinc/32/16/85/336321685.db2.gz VWLOBCARIBXRJX-OXQOHEQNSA-N 0 0 323.440 3.638 10 0 DHAERN CCc1cc(Nc2cc(F)cc(OC)c2)nc(-c2ccncc2)n1 ZINC000301664204 336321700 /nfs/dbraw/zinc/32/17/00/336321700.db2.gz VXOVMSGGHZBVBG-UHFFFAOYSA-N 0 0 324.359 3.992 10 0 DHAERN CCCc1nnc(NCCNc2ccc3ccccc3n2)s1 ZINC000301671237 336322415 /nfs/dbraw/zinc/32/24/15/336322415.db2.gz OHIXHQYRTJXUGP-UHFFFAOYSA-N 0 0 313.430 3.563 10 0 DHAERN CCC[C@H](C)[C@H]1CCCN1c1cc(-c2nc(C)no2)ccn1 ZINC000301683110 336323232 /nfs/dbraw/zinc/32/32/32/336323232.db2.gz GUNVLXXTUREUJX-SWLSCSKDSA-N 0 0 300.406 3.845 10 0 DHAERN CCc1c[nH]c(Sc2nn3cc(C(C)(C)C)nc3s2)n1 ZINC000301689184 336323630 /nfs/dbraw/zinc/32/36/30/336323630.db2.gz WSZDMKITSAJLNZ-UHFFFAOYSA-N 0 0 307.448 3.525 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000301772768 336328770 /nfs/dbraw/zinc/32/87/70/336328770.db2.gz KCCITVZRSSZMIV-LSDHHAIUSA-N 0 0 301.365 3.652 10 0 DHAERN CCCOc1ccc2c(c1)CCN(c1nnc(CCC)s1)C2 ZINC000301793109 336330397 /nfs/dbraw/zinc/33/03/97/336330397.db2.gz RSROMTRRVGTTLM-UHFFFAOYSA-N 0 0 317.458 3.842 10 0 DHAERN CCc1nc2sccc2c(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)n1 ZINC000301836885 336333254 /nfs/dbraw/zinc/33/32/54/336333254.db2.gz MGFWJZLQGDYNSK-GDLCADMTSA-N 0 0 317.458 3.503 10 0 DHAERN O[C@H](C[C@H]1CCCN1c1nc2ccccc2[nH]1)c1ccccc1 ZINC000301897976 336336933 /nfs/dbraw/zinc/33/69/33/336336933.db2.gz WIIYGFPDYDVQJK-CRAIPNDOSA-N 0 0 307.397 3.655 10 0 DHAERN Cc1ccc([C@H]2CN(c3nc4ccccc4[nH]3)CCO2)c(C)c1 ZINC000301899403 336337041 /nfs/dbraw/zinc/33/70/41/336337041.db2.gz XYTZLSDWARDCJY-GOSISDBHSA-N 0 0 307.397 3.758 10 0 DHAERN CC(C)Cn1ccnc(Oc2cc(Cl)cc(Cl)c2)c1=O ZINC000301924041 336338233 /nfs/dbraw/zinc/33/82/33/336338233.db2.gz KSEAPNDUJZBYPR-UHFFFAOYSA-N 0 0 313.184 3.998 10 0 DHAERN Fc1cccc(Cl)c1CCNc1ccc(C(F)(F)F)nn1 ZINC000301953995 336339729 /nfs/dbraw/zinc/33/97/29/336339729.db2.gz KASFMWDWNVQLKT-UHFFFAOYSA-N 0 0 319.689 3.943 10 0 DHAERN Cc1ccc2ncnc(N3C[C@@H](C)OC[C@H]3c3ccccc3)c2c1 ZINC000301964935 336340346 /nfs/dbraw/zinc/34/03/46/336340346.db2.gz UKFCVDDCQCDBTJ-BEFAXECRSA-N 0 0 319.408 3.905 10 0 DHAERN Clc1nc(NCc2ccnc3ccnn32)cc2ccccc21 ZINC000302012008 336343045 /nfs/dbraw/zinc/34/30/45/336343045.db2.gz AWJMQLJZVZQONG-UHFFFAOYSA-N 0 0 309.760 3.543 10 0 DHAERN Cc1nc2sc3c(c2c(NCCCCCCO)n1)CCCC3 ZINC000302042617 336345116 /nfs/dbraw/zinc/34/51/16/336345116.db2.gz WYHBQHUXPXCGCF-UHFFFAOYSA-N 0 0 319.474 3.843 10 0 DHAERN C[C@H]1CN(c2nnc(Cc3ccccc3F)s2)CC[C@@H]1C ZINC000302156059 336351265 /nfs/dbraw/zinc/35/12/65/336351265.db2.gz MYOPHQVSQMAWGG-RYUDHWBXSA-N 0 0 305.422 3.750 10 0 DHAERN Cc1ccc(Cl)c2ccc(NCCC3(C)OCCO3)nc12 ZINC000302166064 336351931 /nfs/dbraw/zinc/35/19/31/336351931.db2.gz RIQPVCOHYXZAJG-UHFFFAOYSA-N 0 0 306.793 3.762 10 0 DHAERN Fc1ccccc1Cc1nnc(NCC[C@H]2CCCCO2)s1 ZINC000302195167 336353304 /nfs/dbraw/zinc/35/33/04/336353304.db2.gz XDYIHIARUXYHOG-CYBMUJFWSA-N 0 0 321.421 3.639 10 0 DHAERN COC(=O)c1ccc(F)c(CNc2nc3ccccc3s2)c1 ZINC000302214775 336354376 /nfs/dbraw/zinc/35/43/76/336354376.db2.gz ZSZCIMIESSRUAZ-UHFFFAOYSA-N 0 0 316.357 3.834 10 0 DHAERN COC(=O)c1ccc(N[C@@H](C)c2cccc(Cl)c2)nc1OC ZINC000302310090 336357059 /nfs/dbraw/zinc/35/70/59/336357059.db2.gz OYOPAIQMNWIBDK-JTQLQIEISA-N 0 0 320.776 3.703 10 0 DHAERN Cc1csc2nc(C)nc(N[C@@H]3CCCCC[C@H]3CO)c12 ZINC000302312652 336357181 /nfs/dbraw/zinc/35/71/81/336357181.db2.gz TYWUIYKMXYRSMG-QWHCGFSZSA-N 0 0 305.447 3.661 10 0 DHAERN OCC[C@H]1CCC[C@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000302472557 336359447 /nfs/dbraw/zinc/35/94/47/336359447.db2.gz UPQKNCGCNUZXAF-ZWNOBZJWSA-N 0 0 308.784 3.990 10 0 DHAERN OCC[C@@H]1CCC[C@@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000302472552 336359456 /nfs/dbraw/zinc/35/94/56/336359456.db2.gz UPQKNCGCNUZXAF-GWCFXTLKSA-N 0 0 308.784 3.990 10 0 DHAERN CC(C)(C)c1nsc(N2CCC[C@H]2COc2ccccc2)n1 ZINC000302528671 336360948 /nfs/dbraw/zinc/36/09/48/336360948.db2.gz PJXCAIDVMKBSJK-ZDUSSCGKSA-N 0 0 317.458 3.883 10 0 DHAERN CNc1c(Cl)ncnc1N1CCC(=Cc2ccccc2)CC1 ZINC000302592727 336362136 /nfs/dbraw/zinc/36/21/36/336362136.db2.gz WSFFUMMQZSPLBJ-UHFFFAOYSA-N 0 0 314.820 3.856 10 0 DHAERN CN(CC1CC(O)C1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000302641253 336363289 /nfs/dbraw/zinc/36/32/89/336363289.db2.gz IIVWGQIFGLJFOT-UHFFFAOYSA-N 0 0 316.348 3.522 10 0 DHAERN C[C@H]1CC(=O)Oc2cc(Oc3ncnc4c(F)cccc34)ccc21 ZINC000302803685 336370004 /nfs/dbraw/zinc/37/00/04/336370004.db2.gz DRDHTFWAOYNNHM-JTQLQIEISA-N 0 0 324.311 3.974 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2c2nc(CCOC)ns2)o1 ZINC000302824096 336370733 /nfs/dbraw/zinc/37/07/33/336370733.db2.gz LMXMZVQKGBBSHI-ZDUSSCGKSA-N 0 0 321.446 3.614 10 0 DHAERN Cc1nc2c(c(Oc3ccc4c(c3)OC(=O)C[C@H]4C)n1)CCCC2 ZINC000302827922 336371037 /nfs/dbraw/zinc/37/10/37/336371037.db2.gz NWVVBIGGCQROAI-LLVKDONJSA-N 0 0 324.380 3.869 10 0 DHAERN Cc1cc2c(n1C)CCC[C@H]2Nc1ncnc2c(F)cccc12 ZINC000302917200 336374244 /nfs/dbraw/zinc/37/42/44/336374244.db2.gz WSMFAQRUUUACLO-OAHLLOKOSA-N 0 0 310.376 3.905 10 0 DHAERN Cc1cc(N[C@H]2CCc3cc(Br)ccc32)ncn1 ZINC000110270155 336396242 /nfs/dbraw/zinc/39/62/42/336396242.db2.gz ARCRGULUGUBNOW-ZDUSSCGKSA-N 0 0 304.191 3.647 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1csc(C2CC2)n1 ZINC000194874789 336420402 /nfs/dbraw/zinc/42/04/02/336420402.db2.gz OSRDAWFXQQIDHW-ZJUUUORDSA-N 0 0 318.364 3.871 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NC1CCCCCC1 ZINC000114582154 336607329 /nfs/dbraw/zinc/60/73/29/336607329.db2.gz NVWSBQPSCRYPCO-INIZCTEOSA-N 0 0 318.465 3.606 10 0 DHAERN CC(C)Oc1ncccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116486870 336840631 /nfs/dbraw/zinc/84/06/31/336840631.db2.gz WSMMJYMCDRGNRH-AWEZNQCLSA-N 0 0 315.373 3.831 10 0 DHAERN Cc1nnc(CN[C@H](C)c2ccc(F)c(Cl)c2)n1C1CC1 ZINC000120965503 336926197 /nfs/dbraw/zinc/92/61/97/336926197.db2.gz QEDVBNZJCCFFTR-SECBINFHSA-N 0 0 308.788 3.565 10 0 DHAERN CCC[C@H](C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)C(C)C ZINC000121913836 336986478 /nfs/dbraw/zinc/98/64/78/336986478.db2.gz MHSASRQUWYZBKF-JKSUJKDBSA-N 0 0 305.466 3.773 10 0 DHAERN CC1(C)C[C@H](NC(=O)Nc2ccc(F)cn2)c2ccccc2O1 ZINC000122317170 337004198 /nfs/dbraw/zinc/00/41/98/337004198.db2.gz KWGQVGZSCCIJHJ-ZDUSSCGKSA-N 0 0 315.348 3.645 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1coc3ccccc13)C2 ZINC000123296123 337042266 /nfs/dbraw/zinc/04/22/66/337042266.db2.gz AOGFJMPYHWJTKX-UHFFFAOYSA-N 0 0 309.413 3.848 10 0 DHAERN CCCc1ccc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000171508829 337087666 /nfs/dbraw/zinc/08/76/66/337087666.db2.gz JZRDLAWVJRAKLQ-KRWDZBQOSA-N 0 0 312.417 3.742 10 0 DHAERN C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCOc2ccccc21 ZINC000171697678 337088580 /nfs/dbraw/zinc/08/85/80/337088580.db2.gz YZOBMYBYSOJDJG-KSSFIOAISA-N 0 0 322.408 3.839 10 0 DHAERN CCCc1nc(C)c(C(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000172243548 337091440 /nfs/dbraw/zinc/09/14/40/337091440.db2.gz VLAYEMZYKQLJSL-LBPRGKRZSA-N 0 0 304.415 3.974 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H](C)C2)cc1OC ZINC000172749352 337130766 /nfs/dbraw/zinc/13/07/66/337130766.db2.gz RJWOJLKFQQQKPN-IPYPFGDCSA-N 0 0 305.418 3.707 10 0 DHAERN CCc1cnc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000173059524 337131833 /nfs/dbraw/zinc/13/18/33/337131833.db2.gz WDHKYAWFDKHZFB-WDEREUQCSA-N 0 0 308.353 3.726 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)CSC(C)(C)C)C2)n1 ZINC000173410544 337135145 /nfs/dbraw/zinc/13/51/45/337135145.db2.gz TWARUWRXLSZRQJ-LBPRGKRZSA-N 0 0 312.504 3.689 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCc3ccsc3)C2)n1 ZINC000173482323 337135602 /nfs/dbraw/zinc/13/56/02/337135602.db2.gz DKRDMWXBGWBSLO-ZDUSSCGKSA-N 0 0 321.471 3.602 10 0 DHAERN O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC2(CCCC2)C1 ZINC000173757272 337135980 /nfs/dbraw/zinc/13/59/80/337135980.db2.gz AZDBISRXQISGST-KBPBESRZSA-N 0 0 305.368 3.861 10 0 DHAERN CSCCCN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000173601149 337136702 /nfs/dbraw/zinc/13/67/02/337136702.db2.gz UNTMCANPPMHDMG-LBPRGKRZSA-N 0 0 314.520 3.567 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000173601012 337136773 /nfs/dbraw/zinc/13/67/73/337136773.db2.gz HRSKBWYEEHEWBH-HZPDHXFCSA-N 0 0 320.481 3.611 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2Cc2ccccc2N(C)C)no1 ZINC000173601678 337136774 /nfs/dbraw/zinc/13/67/74/337136774.db2.gz LIUMNLAYYAAMFZ-INIZCTEOSA-N 0 0 314.433 3.596 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)Nc2cc(C)nn2C)o1 ZINC000173648839 337137142 /nfs/dbraw/zinc/13/71/42/337137142.db2.gz QEEJLDHHGMAKPS-CQSZACIVSA-N 0 0 316.405 3.643 10 0 DHAERN CCc1ccc([C@@H]2C[C@@H](C)CCN2Cc2nnc(CC)n2C)o1 ZINC000174447387 337142089 /nfs/dbraw/zinc/14/20/89/337142089.db2.gz KDGQPDOWEMUJNB-ZFWWWQNUSA-N 0 0 316.449 3.506 10 0 DHAERN CC(C)n1nnnc1CSCc1ccc(C(F)(F)F)cc1 ZINC000176895219 337153663 /nfs/dbraw/zinc/15/36/63/337153663.db2.gz KQOZFUHCIIJXOA-UHFFFAOYSA-N 0 0 316.352 3.706 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177176972 337154462 /nfs/dbraw/zinc/15/44/62/337154462.db2.gz IGXBLMYOQNZRAZ-WBVHZDCISA-N 0 0 305.466 3.789 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000177231068 337154974 /nfs/dbraw/zinc/15/49/74/337154974.db2.gz QRYLVDDYNBZZQS-HNNXBMFYSA-N 0 0 321.465 3.766 10 0 DHAERN CCCCCC[C@H](C)CC(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000177682264 337158438 /nfs/dbraw/zinc/15/84/38/337158438.db2.gz PPCBULCWNGBPGO-DZGCQCFKSA-N 0 0 306.454 3.534 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)O1 ZINC000177961257 337159330 /nfs/dbraw/zinc/15/93/30/337159330.db2.gz YTPKULKYSWIKEZ-WQAKAFBOSA-N 0 0 311.834 3.561 10 0 DHAERN CCn1cc(C2CCN(C(=O)[C@H]3CCCC(C)(C)C3)CC2)cn1 ZINC000178941649 337166418 /nfs/dbraw/zinc/16/64/18/337166418.db2.gz BNMPGQLWGYTEJD-INIZCTEOSA-N 0 0 317.477 3.825 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3cccc(Cl)c3F)C2)c1 ZINC000179544955 337170075 /nfs/dbraw/zinc/17/00/75/337170075.db2.gz CRKUKYIFSDHITN-CQSZACIVSA-N 0 0 307.800 3.821 10 0 DHAERN O=C(Nc1ncccc1Cl)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000179960027 337172898 /nfs/dbraw/zinc/17/28/98/337172898.db2.gz PONRIQJVVINWIT-VHSXEESVSA-N 0 0 308.715 3.755 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180228839 337175424 /nfs/dbraw/zinc/17/54/24/337175424.db2.gz DHBNWXABEKVEEH-SLEUVZQESA-N 0 0 306.450 3.801 10 0 DHAERN CC(C)Cn1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)cn1 ZINC000180536450 337176106 /nfs/dbraw/zinc/17/61/06/337176106.db2.gz FDAIKVKVPNRHKY-LBPRGKRZSA-N 0 0 305.809 3.684 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000180520656 337176115 /nfs/dbraw/zinc/17/61/15/337176115.db2.gz BFAFDDBOUHDTLC-HOTGVXAUSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180545087 337176334 /nfs/dbraw/zinc/17/63/34/337176334.db2.gz INMPSSXRGHBEMZ-JSGCOSHPSA-N 0 0 308.491 3.915 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@H]3CCCO3)s2)o1 ZINC000180642955 337176868 /nfs/dbraw/zinc/17/68/68/337176868.db2.gz BPZOJHGSVXPMRL-VXGBXAGGSA-N 0 0 305.399 3.614 10 0 DHAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)cc1O ZINC000180824284 337178044 /nfs/dbraw/zinc/17/80/44/337178044.db2.gz BMEKFQVCWUYRSQ-CYBMUJFWSA-N 0 0 302.399 3.525 10 0 DHAERN Cc1ccc(C(=O)N2CCCC[C@H]2c2nccs2)cc1O ZINC000180824303 337178075 /nfs/dbraw/zinc/17/80/75/337178075.db2.gz BMEKFQVCWUYRSQ-ZDUSSCGKSA-N 0 0 302.399 3.525 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1ccsc1)[C@H](C)C2 ZINC000180960447 337178989 /nfs/dbraw/zinc/17/89/89/337178989.db2.gz DRYYHDBOLVQIAQ-MLGOLLRUSA-N 0 0 300.427 3.789 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2cnn(CC(C)C)c2)o1 ZINC000181074784 337179573 /nfs/dbraw/zinc/17/95/73/337179573.db2.gz ANJBMSNKFYOZIO-MRXNPFEDSA-N 0 0 315.417 3.808 10 0 DHAERN CC(=O)Nc1ccc(C(=O)N[C@H]2c3cc(C)ccc3C[C@@H]2C)cc1 ZINC000181241762 337180633 /nfs/dbraw/zinc/18/06/33/337180633.db2.gz BDXIGADMMMYTNF-ORAYPTAESA-N 0 0 322.408 3.617 10 0 DHAERN Cc1noc2ncc(C(=O)N[C@@H]3c4cc(C)ccc4C[C@@H]3C)cc12 ZINC000181242260 337180635 /nfs/dbraw/zinc/18/06/35/337180635.db2.gz KXBBARHDRNSIOV-GTNSWQLSSA-N 0 0 321.380 3.503 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000181184386 337182216 /nfs/dbraw/zinc/18/22/16/337182216.db2.gz OMOLRZWDMBLOQL-KGLIPLIRSA-N 0 0 308.491 3.997 10 0 DHAERN Cc1ccc(-c2n[nH]cc2CNc2nnc(-c3ccco3)o2)cc1 ZINC000181486139 337182604 /nfs/dbraw/zinc/18/26/04/337182604.db2.gz RINOSNKDQYQIRV-UHFFFAOYSA-N 0 0 321.340 3.640 10 0 DHAERN Cc1cc(C(=O)COc2cccc(C)n2)c(C)n1Cc1ccco1 ZINC000181790724 337184711 /nfs/dbraw/zinc/18/47/11/337184711.db2.gz ADKWGZPLGWTBBI-UHFFFAOYSA-N 0 0 324.380 3.711 10 0 DHAERN CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)c1C ZINC000182209644 337187418 /nfs/dbraw/zinc/18/74/18/337187418.db2.gz KGIAEAVIBSSWRI-ADLMAVQZSA-N 0 0 324.424 3.806 10 0 DHAERN C[C@H]1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)CC(C)(C)C1 ZINC000182897400 337190655 /nfs/dbraw/zinc/19/06/55/337190655.db2.gz HSEHOJZPZYHPIZ-CMPLNLGQSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@@H](N[C@@H](CO)c1ccccc1)c1ncc(-c2ccccc2)o1 ZINC000182931444 337190784 /nfs/dbraw/zinc/19/07/84/337190784.db2.gz MKAODLILIXWWBB-PBHICJAKSA-N 0 0 308.381 3.726 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3ncc(C(C)C)s3)C2)c1 ZINC000183060970 337191169 /nfs/dbraw/zinc/19/11/69/337191169.db2.gz KJQCSIHXUGILGP-CQSZACIVSA-N 0 0 304.463 3.609 10 0 DHAERN C[C@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343093 337191431 /nfs/dbraw/zinc/19/14/31/337191431.db2.gz VKGHCQMCUREBSA-GOEBONIOSA-N 0 0 311.429 3.907 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C2 ZINC000183776113 337193452 /nfs/dbraw/zinc/19/34/52/337193452.db2.gz UYTWDDYMNZQEQA-KBPBESRZSA-N 0 0 317.477 3.501 10 0 DHAERN Cc1c2ccccc2oc1[C@H](C)NCc1nnc(C(C)C)n1C ZINC000183582532 337193636 /nfs/dbraw/zinc/19/36/36/337193636.db2.gz QYSFLVPEZJYANW-ZDUSSCGKSA-N 0 0 312.417 3.844 10 0 DHAERN CCOc1ccc2ccccc2c1OCc1nnc(C)n1CC ZINC000185177600 337202439 /nfs/dbraw/zinc/20/24/39/337202439.db2.gz KSFHJMCBNUUXQJ-UHFFFAOYSA-N 0 0 311.385 3.737 10 0 DHAERN CC(C)n1ccnc1C[S@](=O)Cc1ccc(C(F)F)cc1 ZINC000185530252 337248891 /nfs/dbraw/zinc/24/88/91/337248891.db2.gz IJWNLTBNFXSZOE-OAQYLSRUSA-N 0 0 312.385 3.851 10 0 DHAERN Cc1[nH]nc2ncc(NCc3c[nH]nc3-c3ccc(C)cc3)cc12 ZINC000185908419 337251454 /nfs/dbraw/zinc/25/14/54/337251454.db2.gz ZMJZEELLYGZVIZ-UHFFFAOYSA-N 0 0 318.384 3.577 10 0 DHAERN C/C=C/C[C@H](CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000185916897 337251566 /nfs/dbraw/zinc/25/15/66/337251566.db2.gz BGODOUNDYXLPLC-UIOCAAJDSA-N 0 0 312.413 3.527 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)[C@H]2C[C@@H]2C2CCCCC2)n1 ZINC000186037627 337253033 /nfs/dbraw/zinc/25/30/33/337253033.db2.gz TYQOESJPPABHQY-DFBGVHRSSA-N 0 0 306.475 3.888 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCO[C@@H]2CC(C)C)o1 ZINC000187466699 337266214 /nfs/dbraw/zinc/26/62/14/337266214.db2.gz BPJUCOXDUGOPNH-SQWLQELKSA-N 0 0 308.422 3.542 10 0 DHAERN Cc1cc(C)c(NC(=O)[C@@H]2CC[C@@H](C)O2)cc1Br ZINC000187592690 337267207 /nfs/dbraw/zinc/26/72/07/337267207.db2.gz QASLHTHAAJGTTP-MFKMUULPSA-N 0 0 312.207 3.572 10 0 DHAERN Fc1ccc([C@@H](N[C@@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697742 337269184 /nfs/dbraw/zinc/26/91/84/337269184.db2.gz QRPFHXKZSLOVJL-SJLPKXTDSA-N 0 0 323.371 3.752 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000188051117 337270393 /nfs/dbraw/zinc/27/03/93/337270393.db2.gz AUTOBHUPVQMEPD-GXFFZTMASA-N 0 0 301.308 3.545 10 0 DHAERN CCCCC[C@@](C)(CC)C(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000188626094 337274824 /nfs/dbraw/zinc/27/48/24/337274824.db2.gz JKIRUEABBZZNAA-RDTXWAMCSA-N 0 0 320.481 3.788 10 0 DHAERN Cc1nc(CC2CC2)sc1C(=O)N[C@H](C)c1cccs1 ZINC000189624996 337280906 /nfs/dbraw/zinc/28/09/06/337280906.db2.gz BADYMISHDSGSJF-SECBINFHSA-N 0 0 306.456 3.957 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000190076061 337284396 /nfs/dbraw/zinc/28/43/96/337284396.db2.gz QLVKOQKLOOSENV-CRAIPNDOSA-N 0 0 301.430 3.630 10 0 DHAERN Cn1ccc2cccc(NC(=O)N[C@H]3CCOc4ccccc43)c21 ZINC000190083452 337284504 /nfs/dbraw/zinc/28/45/04/337284504.db2.gz RRFZQWRGBSPHOB-HNNXBMFYSA-N 0 0 321.380 3.824 10 0 DHAERN CC(C)(C)n1nccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000190501747 337288759 /nfs/dbraw/zinc/28/87/59/337288759.db2.gz YBYBFPCWVVTLSC-LBPRGKRZSA-N 0 0 302.378 3.600 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000190577504 337288844 /nfs/dbraw/zinc/28/88/44/337288844.db2.gz QXXQTOWLOODVRT-CMPLNLGQSA-N 0 0 316.228 3.767 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000190627320 337289224 /nfs/dbraw/zinc/28/92/24/337289224.db2.gz CSQHUELDBXWIAW-COPLHBTASA-N 0 0 315.335 3.698 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000190776706 337290637 /nfs/dbraw/zinc/29/06/37/337290637.db2.gz BFFQSYDFTLIZJF-CPCISQLKSA-N 0 0 304.173 3.508 10 0 DHAERN CCCn1ccc2cc(NC(=O)[C@H]3CCCO[C@H]3C)ccc21 ZINC000190805544 337291030 /nfs/dbraw/zinc/29/10/30/337291030.db2.gz RSUUMUPUTRGBMV-BBRMVZONSA-N 0 0 300.402 3.805 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000191732047 337299697 /nfs/dbraw/zinc/29/96/97/337299697.db2.gz YGHGFCALKJICCU-SNVBAGLBSA-N 0 0 301.839 3.974 10 0 DHAERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000025144537 337300877 /nfs/dbraw/zinc/30/08/77/337300877.db2.gz XNGCZOUERGBZJN-NEPJUHHUSA-N 0 0 303.299 3.985 10 0 DHAERN COc1ccc(Cl)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000192105724 337302923 /nfs/dbraw/zinc/30/29/23/337302923.db2.gz RLELXUOPIOYRCJ-MRXNPFEDSA-N 0 0 305.809 3.799 10 0 DHAERN COc1ccc(Cl)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000192105730 337302973 /nfs/dbraw/zinc/30/29/73/337302973.db2.gz RLELXUOPIOYRCJ-INIZCTEOSA-N 0 0 305.809 3.799 10 0 DHAERN COCc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000192566437 337306420 /nfs/dbraw/zinc/30/64/20/337306420.db2.gz UPRCVCRPMGKESM-OAHLLOKOSA-N 0 0 300.358 3.795 10 0 DHAERN C[C@@H](NC(=O)c1ccn(-c2ccccc2F)n1)c1cccs1 ZINC000193073183 337309155 /nfs/dbraw/zinc/30/91/55/337309155.db2.gz UEGLMESYRZGHJT-LLVKDONJSA-N 0 0 315.373 3.564 10 0 DHAERN COC(=O)[C@H]1CCCC[C@H]1c1nc(C)sc1Br ZINC000584600419 337370746 /nfs/dbraw/zinc/37/07/46/337370746.db2.gz MIQOAIMWYBOCOF-BDAKNGLRSA-N 0 0 318.236 3.661 10 0 DHAERN CN(C)c1ccc(C(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000584606383 337371688 /nfs/dbraw/zinc/37/16/88/337371688.db2.gz WFZCIXFHFDBHPN-UHFFFAOYSA-N 0 0 309.409 3.684 10 0 DHAERN Cn1cc(-c2c[nH]c3nccc(-c4cc(F)ccc4F)c23)cn1 ZINC000584620155 337372073 /nfs/dbraw/zinc/37/20/73/337372073.db2.gz NKABTZJASFRTLP-UHFFFAOYSA-N 0 0 310.307 3.860 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(\Br)c1ccc(F)cc1 ZINC000584611990 337372320 /nfs/dbraw/zinc/37/23/20/337372320.db2.gz VYBMAQWBDHIUPZ-YFHOEESVSA-N 0 0 323.108 3.760 10 0 DHAERN FC(F)(F)c1ccc(Br)c(C2OCCCO2)c1 ZINC000584621315 337374823 /nfs/dbraw/zinc/37/48/23/337374823.db2.gz QGTIVTNPQFXPLJ-UHFFFAOYSA-N 0 0 311.097 3.903 10 0 DHAERN COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1OC(F)F ZINC000584622094 337374894 /nfs/dbraw/zinc/37/48/94/337374894.db2.gz QLKKOACKKHWPEY-UHFFFAOYSA-N 0 0 301.676 3.718 10 0 DHAERN CC1(C)C(=O)Nc2cc(-c3cnc(-c4cccnc4)o3)ccc21 ZINC000584625312 337375415 /nfs/dbraw/zinc/37/54/15/337375415.db2.gz AMEIKOSHNLMWBJ-UHFFFAOYSA-N 0 0 305.337 3.633 10 0 DHAERN CC[C@@H](C)NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584631924 337377101 /nfs/dbraw/zinc/37/71/01/337377101.db2.gz FDQORDHZYVKJNK-SNVBAGLBSA-N 0 0 304.777 3.636 10 0 DHAERN CC(C)(C)OC(=O)C1=C(O)CCc2cc3cc(Cl)ccc3n21 ZINC000584656542 337377901 /nfs/dbraw/zinc/37/79/01/337377901.db2.gz YJWSVBDNYUYFFC-OAHLLOKOSA-N 0 0 319.788 3.693 10 0 DHAERN CCOC(=O)N=C1Nc2ccccc2CN1Cc1ccccc1C ZINC000584656592 337378105 /nfs/dbraw/zinc/37/81/05/337378105.db2.gz GCTJAJKDHRUXGX-UHFFFAOYSA-N 0 0 323.396 3.744 10 0 DHAERN COC(=O)c1cccc(Sc2ccc(C)cc2)c1C(=O)OC ZINC000584661022 337378264 /nfs/dbraw/zinc/37/82/64/337378264.db2.gz HSADBQYZIZVHCR-UHFFFAOYSA-N 0 0 316.378 3.719 10 0 DHAERN CC(=O)c1ccc(NC(=O)N(C)c2ccc(C(C)=O)cc2)cc1 ZINC000584650875 337380930 /nfs/dbraw/zinc/38/09/30/337380930.db2.gz HNTISAULQRUPFC-UHFFFAOYSA-N 0 0 310.353 3.760 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc(C)c1C ZINC000105846753 337386831 /nfs/dbraw/zinc/38/68/31/337386831.db2.gz DNCWZLFOYSEXBW-KRWDZBQOSA-N 0 0 311.429 3.631 10 0 DHAERN CCc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)cc1 ZINC000105846782 337386910 /nfs/dbraw/zinc/38/69/10/337386910.db2.gz PYLVEBMECNDVEC-KRWDZBQOSA-N 0 0 311.429 3.577 10 0 DHAERN C[C@@H](NCc1noc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000112537277 337390556 /nfs/dbraw/zinc/39/05/56/337390556.db2.gz QYZRKCULQDMDJM-SECBINFHSA-N 0 0 321.352 3.927 10 0 DHAERN O=C(CCC(=O)N1CCC[C@@H]1c1ccco1)c1cccs1 ZINC000116039925 337392177 /nfs/dbraw/zinc/39/21/77/337392177.db2.gz IYVKWCNXDKIDNS-GFCCVEGCSA-N 0 0 303.383 3.668 10 0 DHAERN O=C(c1nc(Cl)ccc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116046849 337392228 /nfs/dbraw/zinc/39/22/28/337392228.db2.gz LQWGJHFPKADUIL-JTQLQIEISA-N 0 0 311.168 3.959 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2ccco2)nn1-c1ccccc1 ZINC000116042920 337392262 /nfs/dbraw/zinc/39/22/62/337392262.db2.gz ZEASEEXWHJMDQE-QGZVFWFLSA-N 0 0 321.380 3.751 10 0 DHAERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)cnn1C(C)(C)C ZINC000116211786 337392540 /nfs/dbraw/zinc/39/25/40/337392540.db2.gz PCPDFOOCWWSSKT-AWEZNQCLSA-N 0 0 301.390 3.517 10 0 DHAERN Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116211474 337392563 /nfs/dbraw/zinc/39/25/63/337392563.db2.gz IDILHUPSYVRKOG-LBPRGKRZSA-N 0 0 308.765 3.526 10 0 DHAERN CCc1ccc(CNC(=O)N2CCC[C@H]2c2ccco2)s1 ZINC000116419269 337392733 /nfs/dbraw/zinc/39/27/33/337392733.db2.gz FPQOBLPHFGFXED-AWEZNQCLSA-N 0 0 304.415 3.950 10 0 DHAERN CC(C)Cc1nnc(NC(=O)N[C@@H](C)c2cccs2)s1 ZINC000043374697 337410913 /nfs/dbraw/zinc/41/09/13/337410913.db2.gz BOXYHKISZGACBP-VIFPVBQESA-N 0 0 310.448 3.681 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2nnc(CC(C)C)s2)o1 ZINC000043374614 337410949 /nfs/dbraw/zinc/41/09/49/337410949.db2.gz KIIIGNBXTHIIKI-JTQLQIEISA-N 0 0 308.407 3.521 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2Br)O1 ZINC000126772831 337417699 /nfs/dbraw/zinc/41/76/99/337417699.db2.gz NIFFHODVPFALAU-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000194051076 337461462 /nfs/dbraw/zinc/46/14/62/337461462.db2.gz HASNOAKANOWURJ-HZPDHXFCSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCCCC3(C)C)C2)c1 ZINC000194244451 337461949 /nfs/dbraw/zinc/46/19/49/337461949.db2.gz AQYGHKAPKLLUNJ-JKSUJKDBSA-N 0 0 303.450 3.571 10 0 DHAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000194701332 337463389 /nfs/dbraw/zinc/46/33/89/337463389.db2.gz JBIZNHAWUWDOQL-MLGOLLRUSA-N 0 0 314.360 3.662 10 0 DHAERN Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000195368313 337466274 /nfs/dbraw/zinc/46/62/74/337466274.db2.gz LNLBBQTUCVEGPR-OAHLLOKOSA-N 0 0 315.442 3.617 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2Cc2cc(F)ccc2F)no1 ZINC000195375635 337466426 /nfs/dbraw/zinc/46/64/26/337466426.db2.gz ZQNJGALISDVMCZ-AWEZNQCLSA-N 0 0 307.344 3.808 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC000245862989 337495718 /nfs/dbraw/zinc/49/57/18/337495718.db2.gz DRJUSKOBXIGEME-HPFXQQBRSA-N 0 0 315.461 3.690 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CC[C@@H](C)O2)o1 ZINC000246105735 337510312 /nfs/dbraw/zinc/51/03/12/337510312.db2.gz WWSVWOJBROFAIC-LGWLGOQQSA-N 0 0 305.418 3.709 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)C12CCC2 ZINC000248034617 337562289 /nfs/dbraw/zinc/56/22/89/337562289.db2.gz RFULZMBEVRNOEF-VNQPRFMTSA-N 0 0 320.433 3.638 10 0 DHAERN C[S@](=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000248886444 337568269 /nfs/dbraw/zinc/56/82/69/337568269.db2.gz QNQVFYUDUQDQDK-DMPWYTOCSA-N 0 0 319.470 3.720 10 0 DHAERN CCCn1ccc2ccc(NC(=O)N[C@H](C)[C@H]3CCCO3)cc21 ZINC000076327875 337568475 /nfs/dbraw/zinc/56/84/75/337568475.db2.gz BOCPQIAFODBGIO-CXAGYDPISA-N 0 0 315.417 3.740 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)o1 ZINC000249589316 337570785 /nfs/dbraw/zinc/57/07/85/337570785.db2.gz OVNNVEOIMRQPAB-YMILTQATSA-N 0 0 306.450 3.568 10 0 DHAERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000250216762 337573787 /nfs/dbraw/zinc/57/37/87/337573787.db2.gz JNYSFRHYJREDBP-IPYPFGDCSA-N 0 0 301.386 3.767 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1Cc1csc(-c2ccc(F)cc2)n1 ZINC000077366554 337579232 /nfs/dbraw/zinc/57/92/32/337579232.db2.gz AODDPGGVKMRHKO-VXGBXAGGSA-N 0 0 306.406 3.558 10 0 DHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCO[C@H]2C)o1 ZINC000253351463 337600542 /nfs/dbraw/zinc/60/05/42/337600542.db2.gz KGPYIQCKNDVSFI-JYJNAYRXSA-N 0 0 305.418 3.847 10 0 DHAERN Cc1ccc(N)cc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000262386102 337618023 /nfs/dbraw/zinc/61/80/23/337618023.db2.gz ORWNHOAEJWGHGH-AWEZNQCLSA-N 0 0 308.425 3.947 10 0 DHAERN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)[C@H]1CCCc2ccccc21 ZINC000263421165 337628556 /nfs/dbraw/zinc/62/85/56/337628556.db2.gz OXTDLRDYARUFJV-LHUBUQBQSA-N 0 0 301.430 3.728 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N(C)CCOCC2CC2)cc1 ZINC000087022874 337629368 /nfs/dbraw/zinc/62/93/68/337629368.db2.gz PLPZDMQNFCSBOQ-HNNXBMFYSA-N 0 0 318.461 3.939 10 0 DHAERN CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000081584789 337725902 /nfs/dbraw/zinc/72/59/02/337725902.db2.gz YAGKVIVOHXSHIE-HZPDHXFCSA-N 0 0 318.465 3.534 10 0 DHAERN C[C@H](NC(=O)c1ccccc1O)c1cccc(Br)c1 ZINC000031940595 337733861 /nfs/dbraw/zinc/73/38/61/337733861.db2.gz QOFMVAIPPCUTLT-JTQLQIEISA-N 0 0 320.186 3.646 10 0 DHAERN COc1ccc([C@H](C)C(=O)NC2(c3ccccc3)CCC2)cc1 ZINC000107438676 337829069 /nfs/dbraw/zinc/82/90/69/337829069.db2.gz SXVWLPVEHOMZLT-HNNXBMFYSA-N 0 0 309.409 3.994 10 0 DHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000119839381 337864986 /nfs/dbraw/zinc/86/49/86/337864986.db2.gz DWBHYWVDHVAWOB-SKDRFNHKSA-N 0 0 309.797 3.609 10 0 DHAERN CCn1c(C)nnc1CSCc1csc(C(C)(C)C)n1 ZINC000091029084 337888453 /nfs/dbraw/zinc/88/84/53/337888453.db2.gz AWLJBYGYPMWZSI-UHFFFAOYSA-N 0 0 310.492 3.794 10 0 DHAERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)OCc1nc(C2CC2)cs1 ZINC000091135620 337889887 /nfs/dbraw/zinc/88/98/87/337889887.db2.gz LZKIFQMQIOUANP-HWPZZCPQSA-N 0 0 315.394 3.628 10 0 DHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCc2cc(F)ccc2C1 ZINC000122132208 337908405 /nfs/dbraw/zinc/90/84/05/337908405.db2.gz UKCCXZJNNHWBGB-MSOLQXFVSA-N 0 0 301.405 3.927 10 0 DHAERN Cc1ccc([C@H]2CCCCN2Cc2ncn(-c3ccccc3)n2)o1 ZINC000092797743 337909177 /nfs/dbraw/zinc/90/91/77/337909177.db2.gz YYUWTQLIIITJTJ-QGZVFWFLSA-N 0 0 322.412 3.896 10 0 DHAERN CCn1ccnc1CNc1cc(F)c(Br)cc1F ZINC000152750002 338211161 /nfs/dbraw/zinc/21/11/61/338211161.db2.gz PFDSQKRUTFSKJU-UHFFFAOYSA-N 0 0 316.149 3.556 10 0 DHAERN C[C@@H](c1cccnc1)N(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000195377728 338898287 /nfs/dbraw/zinc/89/82/87/338898287.db2.gz JWKLSZDREWLQKL-IPQZGBMFSA-N 0 0 313.445 3.609 10 0 DHAERN O=C(/C=C\c1ccc[nH]1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000491982573 339888304 /nfs/dbraw/zinc/88/83/04/339888304.db2.gz YZBCOOKCZGTODG-IBSYWUHOSA-N 0 0 322.408 3.981 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cccc(Br)c1F ZINC000300424167 340225688 /nfs/dbraw/zinc/22/56/88/340225688.db2.gz ZEARBBUYPVFHGF-KCJUWKMLSA-N 0 0 300.171 3.507 10 0 DHAERN C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000172914147 340348248 /nfs/dbraw/zinc/34/82/48/340348248.db2.gz HNYPLZHCOCHMDO-SUMWQHHRSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)[C@H](C)c1cccc(F)c1 ZINC000172959019 340349989 /nfs/dbraw/zinc/34/99/89/340349989.db2.gz FFOWHNAEQYFBQG-HUUCEWRRSA-N 0 0 315.388 3.651 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccccc1Cl ZINC000172959122 340349999 /nfs/dbraw/zinc/34/99/99/340349999.db2.gz AZBJMBGASLRILR-ZDUSSCGKSA-N 0 0 303.789 3.675 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000172959004 340350031 /nfs/dbraw/zinc/35/00/31/340350031.db2.gz FFOWHNAEQYFBQG-GJZGRUSLSA-N 0 0 315.388 3.651 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1ccc(N2CCCCC2)cc1 ZINC000173354760 340363186 /nfs/dbraw/zinc/36/31/86/340363186.db2.gz HPGYLFPTJSGFPK-SFHVURJKSA-N 0 0 322.408 3.540 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1cccs1 ZINC000173424705 340364767 /nfs/dbraw/zinc/36/47/67/340364767.db2.gz JWTSDBMOBFGRNF-UWVGGRQHSA-N 0 0 322.434 3.550 10 0 DHAERN CCc1ccc([C@H](COC)NC(=O)N[C@H](C)c2cccs2)o1 ZINC000173509230 340366404 /nfs/dbraw/zinc/36/64/04/340366404.db2.gz RXIYMWQWQAIEOB-YPMHNXCESA-N 0 0 322.430 3.651 10 0 DHAERN C[C@H](NC(=O)Nc1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000174173819 340383571 /nfs/dbraw/zinc/38/35/71/340383571.db2.gz XFPHSDJUKMXCOE-ZDUSSCGKSA-N 0 0 324.359 3.894 10 0 DHAERN Cc1ccc(F)cc1NC(=O)N[C@@H](C)COCc1ccccc1 ZINC000174400264 340387612 /nfs/dbraw/zinc/38/76/12/340387612.db2.gz MABWZYRMDWLCSL-AWEZNQCLSA-N 0 0 316.376 3.861 10 0 DHAERN Cc1ccc(NC(=O)N[C@H](C)COCc2ccccc2)c(F)c1 ZINC000174436628 340388388 /nfs/dbraw/zinc/38/83/88/340388388.db2.gz WCZWORQKSYKYKP-CQSZACIVSA-N 0 0 316.376 3.861 10 0 DHAERN CC(C)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000174486392 340389682 /nfs/dbraw/zinc/38/96/82/340389682.db2.gz JPRTVCWOMFJKSJ-LSDHHAIUSA-N 0 0 307.384 3.963 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1 ZINC000174536927 340391114 /nfs/dbraw/zinc/39/11/14/340391114.db2.gz HRYIHLDPLWFPKD-CVEARBPZSA-N 0 0 312.413 3.652 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccc(F)c(F)c1 ZINC000174533746 340391133 /nfs/dbraw/zinc/39/11/33/340391133.db2.gz RUTGQKUGLIIFJB-MKBNYLNASA-N 0 0 308.372 4.000 10 0 DHAERN COC(C)(C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000174544895 340391242 /nfs/dbraw/zinc/39/12/42/340391242.db2.gz OXRIFAJGLMZYDM-RYUDHWBXSA-N 0 0 312.841 3.904 10 0 DHAERN COc1cc(Cl)c(Cl)cc1C(=O)N1CCS[C@H](C)C1 ZINC000176484895 340427781 /nfs/dbraw/zinc/42/77/81/340427781.db2.gz BDCDZPZCUBSJBU-MRVPVSSYSA-N 0 0 320.241 3.580 10 0 DHAERN COc1cccc2c1CC[C@H]2NC(=O)N[C@H](C)c1cccs1 ZINC000177125266 340436374 /nfs/dbraw/zinc/43/63/74/340436374.db2.gz GKWZPMBIJNHGQV-BXUZGUMPSA-N 0 0 316.426 3.804 10 0 DHAERN C[C@@H](OC1CCCCCC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000177737257 340443141 /nfs/dbraw/zinc/44/31/41/340443141.db2.gz NWPOSUXUNHZBGW-RHSMWYFYSA-N 0 0 317.429 3.754 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C)c2cccs2)C1(C)C ZINC000178449581 340449682 /nfs/dbraw/zinc/44/96/82/340449682.db2.gz SCPBHOXXAUWLLC-IACUBPJLSA-N 0 0 310.463 3.654 10 0 DHAERN Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000178693681 340451553 /nfs/dbraw/zinc/45/15/53/340451553.db2.gz WMFCALJCUIXUEX-SCLBCKFNSA-N 0 0 322.408 3.688 10 0 DHAERN Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000178693709 340451618 /nfs/dbraw/zinc/45/16/18/340451618.db2.gz WMFCALJCUIXUEX-FZKQIMNGSA-N 0 0 322.408 3.688 10 0 DHAERN CC(C)[C@@H](O)CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000178900230 340452452 /nfs/dbraw/zinc/45/24/52/340452452.db2.gz PRKSYCQSHCVQKM-WMZOPIPTSA-N 0 0 307.409 3.580 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)c2ccccc21 ZINC000184276069 340491611 /nfs/dbraw/zinc/49/16/11/340491611.db2.gz GZZUKXAZRQNBCQ-NEPJUHHUSA-N 0 0 305.805 3.953 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)c2ccccc21 ZINC000184276084 340491623 /nfs/dbraw/zinc/49/16/23/340491623.db2.gz GZZUKXAZRQNBCQ-NWDGAFQWSA-N 0 0 305.805 3.953 10 0 DHAERN CC[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1ccc(F)cc1 ZINC000185951723 340506955 /nfs/dbraw/zinc/50/69/55/340506955.db2.gz KDHJWZDBMVMURF-SWLSCSKDSA-N 0 0 323.408 3.508 10 0 DHAERN CCc1ccc(C2=CCN(C(=O)[C@@H]3CCCO[C@H]3C)CC2)cc1 ZINC000189961686 340541493 /nfs/dbraw/zinc/54/14/93/340541493.db2.gz BTMCNTZOZFYFCV-HNAYVOBHSA-N 0 0 313.441 3.680 10 0 DHAERN C[C@@H](NC(=O)c1cn(C(C)(C)C)nn1)c1ccc2ccccc2c1 ZINC000190621468 340546209 /nfs/dbraw/zinc/54/62/09/340546209.db2.gz DQLGWAJIAJMSRS-CYBMUJFWSA-N 0 0 322.412 3.677 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000190696868 340546615 /nfs/dbraw/zinc/54/66/15/340546615.db2.gz IFSXLPNHVINSKU-DBVUQKKJSA-N 0 0 323.436 3.902 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc2c(c1)CCCC2 ZINC000191135355 340550442 /nfs/dbraw/zinc/55/04/42/340550442.db2.gz MECLLZGVJBEVCE-SUNYJGFJSA-N 0 0 301.430 3.558 10 0 DHAERN CCC1CCC(NC(=O)CCCc2nc3ccccc3[nH]2)CC1 ZINC000192851330 340570287 /nfs/dbraw/zinc/57/02/87/340570287.db2.gz DZDSVJDCXSDUBD-UHFFFAOYSA-N 0 0 313.445 3.971 10 0 DHAERN CCC1CCC(NC(=O)CCc2ncc(C(C)(C)C)o2)CC1 ZINC000193307652 340575837 /nfs/dbraw/zinc/57/58/37/340575837.db2.gz CDRLSTHOCZNQKD-UHFFFAOYSA-N 0 0 306.450 3.990 10 0 DHAERN CCc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000194021008 340588173 /nfs/dbraw/zinc/58/81/73/340588173.db2.gz VNNZXXLBQIFEDW-KBPBESRZSA-N 0 0 300.402 3.828 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000194685924 340594843 /nfs/dbraw/zinc/59/48/43/340594843.db2.gz RXMWBACGHCYFNS-RLFYNMQTSA-N 0 0 319.445 3.571 10 0 DHAERN CC(C)CCOc1ccc([C@H](C)NC(=O)C[C@@H]2CCCO2)cc1 ZINC000194874608 340596720 /nfs/dbraw/zinc/59/67/20/340596720.db2.gz NPZGZXTUTVIRGJ-YJBOKZPZSA-N 0 0 319.445 3.858 10 0 DHAERN O=C(CSc1ccc(Cl)cc1)N[C@H]1COc2ccccc21 ZINC000194880673 340596793 /nfs/dbraw/zinc/59/67/93/340596793.db2.gz XAFLJZWKWBJXGF-AWEZNQCLSA-N 0 0 319.813 3.682 10 0 DHAERN C[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000230042864 340617776 /nfs/dbraw/zinc/61/77/76/340617776.db2.gz ZYQOGJMTVGUBJY-FZMZJTMJSA-N 0 0 310.235 3.844 10 0 DHAERN O=C(c1ccc(Cl)cc1Cl)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000041117285 340709541 /nfs/dbraw/zinc/70/95/41/340709541.db2.gz BWOJBKRHBFREOO-UONOGXRCSA-N 0 0 314.212 3.777 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1cc(Cl)ccc1F)C2 ZINC000123333656 340740507 /nfs/dbraw/zinc/74/05/07/340740507.db2.gz NKRMSKFQRRCWNN-UHFFFAOYSA-N 0 0 321.827 3.894 10 0 DHAERN C[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000126889749 340839314 /nfs/dbraw/zinc/83/93/14/340839314.db2.gz NYDZCQWFCZOVKC-NWDGAFQWSA-N 0 0 319.355 3.823 10 0 DHAERN Cc1ccc(-c2ncc(CN3C[C@H](C)O[C@@H](C)C3)s2)cc1 ZINC000127015535 340841198 /nfs/dbraw/zinc/84/11/98/340841198.db2.gz UVDAATPNEVWYFG-KBPBESRZSA-N 0 0 302.443 3.728 10 0 DHAERN Cc1cccc(CC(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)c1 ZINC000128662999 340903835 /nfs/dbraw/zinc/90/38/35/340903835.db2.gz CPEOLNHQHPMKDU-INIZCTEOSA-N 0 0 321.342 3.827 10 0 DHAERN COCCCCCNC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000069730911 340979700 /nfs/dbraw/zinc/97/97/00/340979700.db2.gz RHFBVOKWOIMGLY-HNNXBMFYSA-N 0 0 306.450 3.987 10 0 DHAERN Cc1occc1CN(C)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000129721026 340984395 /nfs/dbraw/zinc/98/43/95/340984395.db2.gz ZUHQJVAHQYWBOY-KRWDZBQOSA-N 0 0 316.376 3.946 10 0 DHAERN CCc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000130659165 341037551 /nfs/dbraw/zinc/03/75/51/341037551.db2.gz VETBSRVRBKMDQA-RNCFNFMXSA-N 0 0 312.207 3.518 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000130928461 341054243 /nfs/dbraw/zinc/05/42/43/341054243.db2.gz JVHZOTWPVXPKSC-VXGBXAGGSA-N 0 0 319.401 3.804 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H](C)Sc2ccccn2)cc1F ZINC000130949394 341054809 /nfs/dbraw/zinc/05/48/09/341054809.db2.gz TYXROVSGBGFWJL-STQMWFEESA-N 0 0 318.417 3.887 10 0 DHAERN Cc1ccc(Oc2ccccc2)c(NCc2nnnn2C(C)C)c1 ZINC000131480675 341091166 /nfs/dbraw/zinc/09/11/66/341091166.db2.gz LBZDXVFTCKSVFP-UHFFFAOYSA-N 0 0 323.400 3.967 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)CSCc2cscn2)cc1F ZINC000131924271 341113692 /nfs/dbraw/zinc/11/36/92/341113692.db2.gz WXVTUQWKLHAUCR-NSHDSACASA-N 0 0 324.446 3.701 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)NCC(C)(C)CCO)cc1 ZINC000073442558 341116697 /nfs/dbraw/zinc/11/66/97/341116697.db2.gz FLYZPRWLFLUKGD-HNNXBMFYSA-N 0 0 320.477 3.654 10 0 DHAERN Clc1ccccc1-c1noc(-c2cc(-n3cccn3)ccn2)n1 ZINC000132648257 341135529 /nfs/dbraw/zinc/13/55/29/341135529.db2.gz CJQCTDAXLBPQFP-UHFFFAOYSA-N 0 0 323.743 3.638 10 0 DHAERN CC1(C)CCCC[C@@H]1CC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000132857301 341147495 /nfs/dbraw/zinc/14/74/95/341147495.db2.gz KNDNMHXCFRXIEZ-GPMSIDNRSA-N 0 0 307.478 3.747 10 0 DHAERN CC1(C)CCC(CC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000132870985 341147960 /nfs/dbraw/zinc/14/79/60/341147960.db2.gz KRIIEQREJKLCKS-VQIMIIECSA-N 0 0 307.478 3.747 10 0 DHAERN CCC(CC)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000133327287 341172943 /nfs/dbraw/zinc/17/29/43/341172943.db2.gz VPUJXFRSSHEHQA-UHFFFAOYSA-N 0 0 305.422 3.659 10 0 DHAERN O=C(c1cc2cc(F)ccc2s1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000076925870 341215762 /nfs/dbraw/zinc/21/57/62/341215762.db2.gz UTLYKMGFZYLFTQ-ZIAGYGMSSA-N 0 0 319.401 3.824 10 0 DHAERN CCc1cnc([C@H](C)Nc2c(F)c(F)nc(F)c2F)s1 ZINC000134999195 341228466 /nfs/dbraw/zinc/22/84/66/341228466.db2.gz MASJXONBSLFIMF-YFKPBYRVSA-N 0 0 305.300 3.830 10 0 DHAERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000135324007 341236736 /nfs/dbraw/zinc/23/67/36/341236736.db2.gz ASXHWGROCGRZNF-CMPLNLGQSA-N 0 0 303.299 3.985 10 0 DHAERN Cc1cc(F)ccc1C(=O)NC1CCC(C(F)(F)F)CC1 ZINC000135324212 341236847 /nfs/dbraw/zinc/23/68/47/341236847.db2.gz UORQTKXDWASXNW-UHFFFAOYSA-N 0 0 303.299 3.985 10 0 DHAERN Cc1cccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000078744740 341247298 /nfs/dbraw/zinc/24/72/98/341247298.db2.gz MCCSSLIBYWQKQR-QWRGUYRKSA-N 0 0 301.308 3.552 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCCc2cc3ccccc3[nH]2)o1 ZINC000136041498 341251405 /nfs/dbraw/zinc/25/14/05/341251405.db2.gz IQTZVVWETRAVBS-ZDUSSCGKSA-N 0 0 311.385 3.672 10 0 DHAERN CCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H](C)C(C)C)c1 ZINC000079122286 341253891 /nfs/dbraw/zinc/25/38/91/341253891.db2.gz LTHOSPXPOLNVGE-JTQLQIEISA-N 0 0 311.813 3.855 10 0 DHAERN CC(C)[C@H](C(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000079614657 341262018 /nfs/dbraw/zinc/26/20/18/341262018.db2.gz UKWLDOPIJURLLI-BZSNNMDCSA-N 0 0 301.430 3.596 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)C1CCC(c2ccccc2)CC1 ZINC000080430453 341273511 /nfs/dbraw/zinc/27/35/11/341273511.db2.gz JUCFVERORCXISZ-BXXOZEPKSA-N 0 0 301.430 3.596 10 0 DHAERN CC(C)CCOc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000081108820 341279942 /nfs/dbraw/zinc/27/99/42/341279942.db2.gz URQIIZBRXGFEAF-GJZGRUSLSA-N 0 0 320.433 3.753 10 0 DHAERN CCN(CC(C)(C)O)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000081969507 341312068 /nfs/dbraw/zinc/31/20/68/341312068.db2.gz BYJGJCHMOZOMNH-IRXDYDNUSA-N 0 0 303.446 3.533 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N[C@H](C)c2cccs2)s1 ZINC000138533208 341314816 /nfs/dbraw/zinc/31/48/16/341314816.db2.gz NWVOEVLWIVFDDZ-LLVKDONJSA-N 0 0 307.440 3.958 10 0 DHAERN Cc1ccc(F)cc1CN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000246001218 341321541 /nfs/dbraw/zinc/32/15/41/341321541.db2.gz RUBQIGZOPPRAMW-YJBOKZPZSA-N 0 0 321.342 3.720 10 0 DHAERN COC[C@H](C)CNC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000139285492 341347242 /nfs/dbraw/zinc/34/72/42/341347242.db2.gz SYFAEUOHVHBRSL-NXEZZACHSA-N 0 0 319.232 3.636 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CCO1 ZINC000246844040 341357713 /nfs/dbraw/zinc/35/77/13/341357713.db2.gz CQLUPDUQBZWPML-SQNIBIBYSA-N 0 0 301.430 3.551 10 0 DHAERN Cc1cc(CNC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)on1 ZINC000140078441 341359592 /nfs/dbraw/zinc/35/95/92/341359592.db2.gz MSOLVGJFPZLWBD-ZDUSSCGKSA-N 0 0 301.390 3.667 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCO[C@H](c2cccs2)C1 ZINC000247626484 341368058 /nfs/dbraw/zinc/36/80/58/341368058.db2.gz UIXIRKLAWRFHIG-XHSDSOJGSA-N 0 0 319.470 3.864 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccccc2F)C2CCCC2)O1 ZINC000248117758 341373299 /nfs/dbraw/zinc/37/32/99/341373299.db2.gz DHVOVQCPKISETJ-DQYPLSBCSA-N 0 0 305.393 3.741 10 0 DHAERN CS[C@H](C)C(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000248122762 341373547 /nfs/dbraw/zinc/37/35/47/341373547.db2.gz FGMISNXSGRMFPY-VDDIYKPWSA-N 0 0 318.269 3.965 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC[C@H]1CCCCO1)[C@H](C)C2 ZINC000248530231 341379225 /nfs/dbraw/zinc/37/92/25/341379225.db2.gz DXECJVXYHFXKOS-IDHHARJASA-N 0 0 301.430 3.694 10 0 DHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@H]1c1ccco1 ZINC000248652560 341382979 /nfs/dbraw/zinc/38/29/79/341382979.db2.gz UBGJTCXEPTYTQG-PMPSAXMXSA-N 0 0 305.418 3.929 10 0 DHAERN C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248705984 341384773 /nfs/dbraw/zinc/38/47/73/341384773.db2.gz HFIMTTCUFZNMMP-CFVWQIKISA-N 0 0 301.430 3.595 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cccc2ccccc21)[C@H]1CCCO1 ZINC000248750555 341385861 /nfs/dbraw/zinc/38/58/61/341385861.db2.gz GODFPPJLJWYYAY-PMUMKWKESA-N 0 0 312.413 3.768 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCOC[C@H]2C)o1 ZINC000248903336 341389984 /nfs/dbraw/zinc/38/99/84/341389984.db2.gz ZMXSJBNOISCYJL-KBMXLJTQSA-N 0 0 305.418 3.568 10 0 DHAERN CC[C@@](C)(O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000249372843 341396762 /nfs/dbraw/zinc/39/67/62/341396762.db2.gz NQTKUFMSKOMFLQ-HUUCEWRRSA-N 0 0 318.244 3.528 10 0 DHAERN C[C@@H]1CCCCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249431646 341397569 /nfs/dbraw/zinc/39/75/69/341397569.db2.gz JUIWQXVJVMPOKW-UPJWGTAASA-N 0 0 306.372 3.939 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000250745367 341407766 /nfs/dbraw/zinc/40/77/66/341407766.db2.gz QUUUQVCNNWHYON-JCGIZDLHSA-N 0 0 301.430 3.849 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)O1 ZINC000093168677 341460994 /nfs/dbraw/zinc/46/09/94/341460994.db2.gz INFMOSOYRKVRLU-YJYMSZOUSA-N 0 0 323.392 3.795 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)c1ccc2[nH]cnc2c1 ZINC000153863426 341580286 /nfs/dbraw/zinc/58/02/86/341580286.db2.gz UGXTXZMGVOUHIM-OAHLLOKOSA-N 0 0 309.344 3.509 10 0 DHAERN COc1ccc(F)c(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000154516782 341590394 /nfs/dbraw/zinc/59/03/94/341590394.db2.gz ZAAZEAVBNWUZTG-VXGBXAGGSA-N 0 0 321.298 3.855 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)N(C)C2CCC2)cc1 ZINC000155411224 341607407 /nfs/dbraw/zinc/60/74/07/341607407.db2.gz UPZNBMIRBIMFJP-CQSZACIVSA-N 0 0 304.434 3.976 10 0 DHAERN CC(C)c1cc(C(=O)N2CCS[C@@H](C)C2)c2ccccc2n1 ZINC000171577320 341780784 /nfs/dbraw/zinc/78/07/84/341780784.db2.gz YMVGKYSBHDKLMN-ZDUSSCGKSA-N 0 0 314.454 3.936 10 0 DHAERN COc1ccccc1CCN(C)C(=O)N[C@H](C)c1cccs1 ZINC000171584932 341780913 /nfs/dbraw/zinc/78/09/13/341780913.db2.gz XDBDSIPBQKXMRW-CYBMUJFWSA-N 0 0 318.442 3.702 10 0 DHAERN CC(C)[C@@](C)(O)CNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000171924254 341788134 /nfs/dbraw/zinc/78/81/34/341788134.db2.gz ACDUERJJIZRUFO-KUHUBIRLSA-N 0 0 314.429 3.607 10 0 DHAERN C[C@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1ccccc1 ZINC000172179972 341794305 /nfs/dbraw/zinc/79/43/05/341794305.db2.gz IDFKDQJAQSMJJM-OLZOCXBDSA-N 0 0 304.415 3.576 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCC(C)(C)OC)o1 ZINC000173236308 341814039 /nfs/dbraw/zinc/81/40/39/341814039.db2.gz MEKAJNFHZWDBND-CQSZACIVSA-N 0 0 308.422 3.504 10 0 DHAERN O=C(Nc1ccc2nccnc2c1)c1cnc2ccc(F)cc2c1 ZINC000178992771 341975947 /nfs/dbraw/zinc/97/59/47/341975947.db2.gz ZRVNZNMFMFGILU-UHFFFAOYSA-N 0 0 318.311 3.569 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCc2ccccc2C1 ZINC000109078648 518201825 /nfs/dbraw/zinc/20/18/25/518201825.db2.gz VZBGLFFRZCFHMP-JKSUJKDBSA-N 0 0 313.347 3.653 10 0 DHAERN CC(=O)c1c(C)oc2ncnc(N[C@H](C)c3cccs3)c21 ZINC000178855413 518239109 /nfs/dbraw/zinc/23/91/09/518239109.db2.gz XKVCSMQQLLIDGV-MRVPVSSYSA-N 0 0 301.371 3.968 10 0 DHAERN CC(=O)c1csc(C(=O)N2CCCC[C@H]2c2nccs2)c1 ZINC000172214000 518486322 /nfs/dbraw/zinc/48/63/22/518486322.db2.gz HURGGRIOPIDGHE-LBPRGKRZSA-N 0 0 320.439 3.775 10 0 DHAERN CC(C)(NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000116137542 519314763 /nfs/dbraw/zinc/31/47/63/519314763.db2.gz QVHWYDSNIMEFQU-QWRGUYRKSA-N 0 0 322.380 3.576 10 0 DHAERN CC(C)N(CC(F)F)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000161874808 519638869 /nfs/dbraw/zinc/63/88/69/519638869.db2.gz VTDFTXVVEXPOGO-WDEREUQCSA-N 0 0 303.299 3.570 10 0 DHAERN CC(C)Oc1ccc(NCc2nnc(C(C)C)n2C)c(Cl)c1 ZINC000187616295 519781215 /nfs/dbraw/zinc/78/12/15/519781215.db2.gz ODWBYDOLHZFHEQ-UHFFFAOYSA-N 0 0 322.840 3.991 10 0 DHAERN CC(C)[C@@H](SC1CCOCC1)C(=O)N[C@H](C)c1ccccc1 ZINC000131396974 519801325 /nfs/dbraw/zinc/80/13/25/519801325.db2.gz LPGAZNYBSUNVJG-RHSMWYFYSA-N 0 0 321.486 3.801 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1c(F)cc(F)cc1Br ZINC000190810407 519812840 /nfs/dbraw/zinc/81/28/40/519812840.db2.gz LYUNTMIHNNFVKJ-ZETCQYMHSA-N 0 0 321.165 3.893 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000124586071 519812863 /nfs/dbraw/zinc/81/28/63/519812863.db2.gz NISLGUZWIMDTDJ-SUMWQHHRSA-N 0 0 315.392 3.654 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000179948651 519839558 /nfs/dbraw/zinc/83/95/58/519839558.db2.gz AONFSEXEJHGZCK-SQNIBIBYSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)c3ccoc3)C2)n1 ZINC000173964798 519856927 /nfs/dbraw/zinc/85/69/27/519856927.db2.gz XPFGVXLAVBANBQ-GFCCVEGCSA-N 0 0 304.415 3.879 10 0 DHAERN CC(C)c1nc(CN[C@H](C)c2ccccc2Br)no1 ZINC000181569671 519864333 /nfs/dbraw/zinc/86/43/33/519864333.db2.gz IFTFQNODVGSYJL-SNVBAGLBSA-N 0 0 324.222 3.806 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)NCc1ccccn1 ZINC000178936545 520415648 /nfs/dbraw/zinc/41/56/48/520415648.db2.gz RMSQLSORKNPWQS-QGZVFWFLSA-N 0 0 309.413 3.595 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2Cl)CN1Cc1cocn1 ZINC000191942785 520511985 /nfs/dbraw/zinc/51/19/85/520511985.db2.gz JAQHNTKMYYFQHK-OAHLLOKOSA-N 0 0 306.793 3.680 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCc3ccccc32)CCO1 ZINC000182303597 520851790 /nfs/dbraw/zinc/85/17/90/520851790.db2.gz ODHXAHINGDINMV-LZLYRXPVSA-N 0 0 301.430 3.776 10 0 DHAERN CCOC(=O)[C@@H](c1nc(-c2cccc(C)c2)no1)c1ccccc1 ZINC000057353606 521086807 /nfs/dbraw/zinc/08/68/07/521086807.db2.gz MMVCSBTYYGNSBN-MRXNPFEDSA-N 0 0 322.364 3.740 10 0 DHAERN CCC(=O)N1CC[C@@H](C(=O)O[C@@H](CC)c2cccc(Cl)c2)C1 ZINC000124750079 521132421 /nfs/dbraw/zinc/13/24/21/521132421.db2.gz VFOLMXROZUEKGX-HIFRSBDPSA-N 0 0 323.820 3.593 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000154964763 521175407 /nfs/dbraw/zinc/17/54/07/521175407.db2.gz UMGAVERQUDBWNB-HNNXBMFYSA-N 0 0 320.481 3.526 10 0 DHAERN CCOc1cccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000127752545 521338753 /nfs/dbraw/zinc/33/87/53/521338753.db2.gz MQDVSYNVCRAMKC-MRXNPFEDSA-N 0 0 315.417 3.929 10 0 DHAERN CCN(Cc1ccccn1)C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000181941471 521391380 /nfs/dbraw/zinc/39/13/80/521391380.db2.gz UTBVDXZOLAUNLE-BEFAXECRSA-N 0 0 323.440 3.855 10 0 DHAERN CCOCCC1(CNC(=O)N[C@H](C)c2ccc(C)o2)CCC1 ZINC000161991407 521687196 /nfs/dbraw/zinc/68/71/96/521687196.db2.gz MFHUCDGKJWPFFS-CQSZACIVSA-N 0 0 308.422 3.545 10 0 DHAERN CCNC(=O)[C@@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182515898 521744704 /nfs/dbraw/zinc/74/47/04/521744704.db2.gz XSKPSBDGLLMVKV-DGCLKSJQSA-N 0 0 302.201 3.597 10 0 DHAERN CCc1csc([C@@H]2CCCN(c3ccc(C(C)=O)cn3)C2)n1 ZINC000180227443 522113512 /nfs/dbraw/zinc/11/35/12/522113512.db2.gz IPCJDIXELNUMDU-CQSZACIVSA-N 0 0 315.442 3.687 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccccc1F ZINC000180744527 522514470 /nfs/dbraw/zinc/51/44/70/522514470.db2.gz VSKZSWPCVDUGDR-GJZGRUSLSA-N 0 0 302.397 3.555 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1OC ZINC000158915598 522555520 /nfs/dbraw/zinc/55/55/20/522555520.db2.gz ZPJQGQAZZGCZOC-ZDUSSCGKSA-N 0 0 315.369 3.709 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccc(Cl)cc2)C2CCC2)n1C ZINC000182566728 522742774 /nfs/dbraw/zinc/74/27/74/522742774.db2.gz LVDHSEMCWDHJLL-QGZVFWFLSA-N 0 0 318.852 3.662 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)n1C ZINC000181620805 522748599 /nfs/dbraw/zinc/74/85/99/522748599.db2.gz PEFRMLMNBWSQGU-MRXNPFEDSA-N 0 0 322.403 3.533 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2c(C)cccc2Cl)CC1 ZINC000180228590 522905618 /nfs/dbraw/zinc/90/56/18/522905618.db2.gz MXSYFBAGHGTNQP-UHFFFAOYSA-N 0 0 309.793 3.566 10 0 DHAERN COCc1noc([C@@H](C)N[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007332 523269134 /nfs/dbraw/zinc/26/91/34/523269134.db2.gz DTVWAWUGIYGZMP-UONOGXRCSA-N 0 0 317.433 3.826 10 0 DHAERN CCn1cc(NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)ccc1=O ZINC000129575621 523430195 /nfs/dbraw/zinc/43/01/95/523430195.db2.gz MMSKZLCNGAUZHN-MSOLQXFVSA-N 0 0 324.424 3.734 10 0 DHAERN CCn1cc([C@H]2CN(Cc3ccc4ccccc4c3)CCO2)cn1 ZINC000191702672 523482892 /nfs/dbraw/zinc/48/28/92/523482892.db2.gz BVFPTGPBWMGFQA-HXUWFJFHSA-N 0 0 321.424 3.630 10 0 DHAERN CC[C@]1(CO)CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000189960329 523609722 /nfs/dbraw/zinc/60/97/22/523609722.db2.gz GCBBBJUFEVSMCE-GUYCJALGSA-N 0 0 324.852 3.595 10 0 DHAERN CO[C@H](C)CCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000181748540 523863021 /nfs/dbraw/zinc/86/30/21/523863021.db2.gz MNRCUTUJDGEFJZ-ZBFHGGJFSA-N 0 0 317.429 3.754 10 0 DHAERN CO[C@H](C)c1noc(CN[C@@H](C)c2ccc(C(C)(C)C)cc2)n1 ZINC000182608156 523923366 /nfs/dbraw/zinc/92/33/66/523923366.db2.gz BVKMVYQCIKBPIF-QWHCGFSZSA-N 0 0 317.433 3.925 10 0 DHAERN CN(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000130456921 524025528 /nfs/dbraw/zinc/02/55/28/524025528.db2.gz ZINNUPCRIBCDCV-IRXDYDNUSA-N 0 0 314.429 3.543 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC[C@H]2CCOC2)o1 ZINC000177450264 524034678 /nfs/dbraw/zinc/03/46/78/524034678.db2.gz DVSRLRHGFVDBOB-HOCLYGCPSA-N 0 0 305.418 3.712 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)o1 ZINC000128351317 524035449 /nfs/dbraw/zinc/03/54/49/524035449.db2.gz IETIDVMBEIFGRG-INIZCTEOSA-N 0 0 316.401 3.743 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)Cc2ccc(C)nc2)o1 ZINC000128280141 524053023 /nfs/dbraw/zinc/05/30/23/524053023.db2.gz VQAMBTGMFBSWQS-QGZVFWFLSA-N 0 0 312.413 3.842 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)Cc2c(C)noc2C)o1 ZINC000128351557 524053318 /nfs/dbraw/zinc/05/33/18/524053318.db2.gz IETIDVMBEIFGRG-MRXNPFEDSA-N 0 0 316.401 3.743 10 0 DHAERN C[C@H](CCC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 ZINC000137539558 524114731 /nfs/dbraw/zinc/11/47/31/524114731.db2.gz JTWMHPWHDONDSY-NJAFHUGGSA-N 0 0 301.430 3.740 10 0 DHAERN COc1ccc(F)c(C(=O)N[C@@H](C)c2ccccc2C)c1OC ZINC000188113419 524269358 /nfs/dbraw/zinc/26/93/58/524269358.db2.gz CSYWKYWPPPIKBR-LBPRGKRZSA-N 0 0 317.360 3.642 10 0 DHAERN COc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000173378911 524298404 /nfs/dbraw/zinc/29/84/04/524298404.db2.gz XNKQDUKPPXTETP-ZDUSSCGKSA-N 0 0 320.389 3.658 10 0 DHAERN Cc1ccc(CCCSCc2nnc(C3CC3)n2C)cc1 ZINC000182058998 524321794 /nfs/dbraw/zinc/32/17/94/524321794.db2.gz VDVCVYQNUKEEEU-UHFFFAOYSA-N 0 0 301.459 3.867 10 0 DHAERN COc1ccc(N(C(=O)[C@@H]2CCCO[C@H]2C)[C@@H](C)C2CC2)cc1 ZINC000190822129 524336715 /nfs/dbraw/zinc/33/67/15/524336715.db2.gz YQTRYIMYXLKMQI-SUNYJGFJSA-N 0 0 317.429 3.642 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(Cc2ccco2)c2ccc(F)cc2F)O1 ZINC000154878021 524379522 /nfs/dbraw/zinc/37/95/22/524379522.db2.gz HBCPDNUUDDGENZ-MEDUHNTESA-N 0 0 321.323 3.659 10 0 DHAERN Cc1cccc(N2CCC(c3nc(C(F)(F)F)c[nH]3)CC2)n1 ZINC000157707491 524541765 /nfs/dbraw/zinc/54/17/65/524541765.db2.gz UTUUGVLCPDVOGD-UHFFFAOYSA-N 0 0 310.323 3.516 10 0 DHAERN C[C@H]1CN(C(=O)c2ccnc(SC(C)(C)C)c2)CCS1 ZINC000181545718 524545251 /nfs/dbraw/zinc/54/52/51/524545251.db2.gz KWSZXAZNFOYEPT-NSHDSACASA-N 0 0 310.488 3.550 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(Cc2ccco2)c2ccc(F)cc2F)O1 ZINC000154878138 524555703 /nfs/dbraw/zinc/55/57/03/524555703.db2.gz HBCPDNUUDDGENZ-BZNIZROVSA-N 0 0 321.323 3.659 10 0 DHAERN Cc1cc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780009 524689584 /nfs/dbraw/zinc/68/95/84/524689584.db2.gz PGIITPPMSNTWDG-ZDUSSCGKSA-N 0 0 305.447 3.943 10 0 DHAERN COc1ccnc(CN[C@@H](C)c2ccc(F)c(Cl)c2)c1OC ZINC000191047095 524836179 /nfs/dbraw/zinc/83/61/79/524836179.db2.gz UOJIMXZWYRTAFV-JTQLQIEISA-N 0 0 324.783 3.742 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1SC(F)F ZINC000191389844 525014319 /nfs/dbraw/zinc/01/43/19/525014319.db2.gz TXJDFIZNSUGRHO-ZJUUUORDSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(N2CCCCCC2)c1 ZINC000188005201 525014853 /nfs/dbraw/zinc/01/48/53/525014853.db2.gz JJFRWJTWAPPWJH-QAPCUYQASA-N 0 0 316.445 3.821 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000191160382 525017122 /nfs/dbraw/zinc/01/71/22/525017122.db2.gz WANAJMSHQGNHGF-PSASIEDQSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000188649049 525017207 /nfs/dbraw/zinc/01/72/07/525017207.db2.gz HXBVOYIXVKVMJE-ZWNOBZJWSA-N 0 0 308.809 3.668 10 0 DHAERN C[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)c1cccs1 ZINC000172050661 525131974 /nfs/dbraw/zinc/13/19/74/525131974.db2.gz XVRCFQXZLWWHNX-IUODEOHRSA-N 0 0 301.411 3.629 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1cc2ccccc2s1 ZINC000191451600 525140469 /nfs/dbraw/zinc/14/04/69/525140469.db2.gz HHTBAKDYOVSBME-SGMGOOAPSA-N 0 0 303.427 3.894 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1cccc(N(C)C)c1)c1cccs1 ZINC000178225604 525151248 /nfs/dbraw/zinc/15/12/48/525151248.db2.gz YVXMMYAJPCMQOV-CYBMUJFWSA-N 0 0 317.458 3.717 10 0 DHAERN Cc1ccccc1NC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000174937312 525263080 /nfs/dbraw/zinc/26/30/80/525263080.db2.gz BHGHEDYQJFAHLN-KBPBESRZSA-N 0 0 318.417 3.627 10 0 DHAERN C[C@@H](NC(=O)c1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCO1 ZINC000185115661 525326774 /nfs/dbraw/zinc/32/67/74/525326774.db2.gz GYZFJWYLXXBJKL-PRHODGIISA-N 0 0 321.726 3.656 10 0 DHAERN CSCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000151691047 525376210 /nfs/dbraw/zinc/37/62/10/525376210.db2.gz RNEFREWNLBSXQF-CQSZACIVSA-N 0 0 305.443 3.692 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)[C@@H](c1ccccc1)C(F)(F)F ZINC000191243916 525555167 /nfs/dbraw/zinc/55/51/67/525555167.db2.gz NJSDYPFTOFLAMU-UBHSHLNASA-N 0 0 315.335 3.564 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000190383113 525556518 /nfs/dbraw/zinc/55/65/18/525556518.db2.gz ZFMLRZVLQDGEOT-SUMWQHHRSA-N 0 0 321.848 3.861 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000191895759 525559905 /nfs/dbraw/zinc/55/99/05/525559905.db2.gz LEPYFQKSDPVCLK-WCBMZHEXSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000188870207 525560114 /nfs/dbraw/zinc/56/01/14/525560114.db2.gz VIWOAOSOGZODTO-SMDDNHRTSA-N 0 0 307.365 3.511 10 0 DHAERN C[C@@H](NCc1nnc(C2CC2)n1C)c1cccc(C(F)(F)F)c1 ZINC000181601588 525567035 /nfs/dbraw/zinc/56/70/35/525567035.db2.gz PJETXRZXGZLTMP-SNVBAGLBSA-N 0 0 324.350 3.562 10 0 DHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000187940013 525795755 /nfs/dbraw/zinc/79/57/55/525795755.db2.gz KGPYIQCKNDVSFI-OAGGEKHMSA-N 0 0 305.418 3.847 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCCCC(C)(C)CO)o1 ZINC000122560929 525800393 /nfs/dbraw/zinc/80/03/93/525800393.db2.gz DRMRITNCLZMZHN-HNNXBMFYSA-N 0 0 322.449 3.623 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)n(C)n2)o1 ZINC000173466973 525802759 /nfs/dbraw/zinc/80/27/59/525802759.db2.gz WJEPYWLLRPVDJT-HNNXBMFYSA-N 0 0 315.417 3.812 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)C[C@H](O)c2cccs2)o1 ZINC000120512145 525903316 /nfs/dbraw/zinc/90/33/16/525903316.db2.gz HPKBZRILSHCUFI-WXHSDQCUSA-N 0 0 322.430 3.522 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cc(O)ccc2C(F)(F)F)o1 ZINC000188942692 525910714 /nfs/dbraw/zinc/91/07/14/525910714.db2.gz LVMHYTJCYWTOFI-VIFPVBQESA-N 0 0 313.275 3.803 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc(-c3ccccc3F)no2)o1 ZINC000189190003 525931291 /nfs/dbraw/zinc/93/12/91/525931291.db2.gz DEMYVGXBPICHRN-NSHDSACASA-N 0 0 301.321 3.628 10 0 DHAERN Cc1ccc([C@H]2CCCCN2Cc2nc(-c3ccco3)no2)o1 ZINC000124768989 525995624 /nfs/dbraw/zinc/99/56/24/525995624.db2.gz AOVDHOMQGLVSAN-CYBMUJFWSA-N 0 0 313.357 3.958 10 0 DHAERN Cc1cnc(CNC2(c3noc(C(C)C)n3)CCCC2)s1 ZINC000180521852 526036804 /nfs/dbraw/zinc/03/68/04/526036804.db2.gz QMUFTSAJOUONCH-UHFFFAOYSA-N 0 0 306.435 3.517 10 0 DHAERN C[C@H](c1ccccn1)N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246012773 526122326 /nfs/dbraw/zinc/12/23/26/526122326.db2.gz IHYTZTZWRPJMKU-XBFCOCLRSA-N 0 0 316.351 3.683 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cscn1)[C@@H](C)C2 ZINC000181919140 526183806 /nfs/dbraw/zinc/18/38/06/526183806.db2.gz JWQAUUNPXJXWIA-LRDDRELGSA-N 0 0 315.442 3.526 10 0 DHAERN C[C@H](C1CC1)n1nccc1NC(=O)N[C@@H](C)c1cccs1 ZINC000187723312 526211070 /nfs/dbraw/zinc/21/10/70/526211070.db2.gz RPUWUGVIGMTIQQ-WDEREUQCSA-N 0 0 304.419 3.798 10 0 DHAERN Cc1cncc([C@@H](C)N[C@@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000184405615 526213295 /nfs/dbraw/zinc/21/32/95/526213295.db2.gz PLKZZOHVBMHJAS-IUODEOHRSA-N 0 0 300.406 3.698 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(Cl)c(C)c3)C2)c1 ZINC000128888989 526268140 /nfs/dbraw/zinc/26/81/40/526268140.db2.gz UTBGNAXRDYXVCN-HNNXBMFYSA-N 0 0 317.820 3.631 10 0 DHAERN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2cccs2)n1 ZINC000182889918 526403297 /nfs/dbraw/zinc/40/32/97/526403297.db2.gz FDABVNPBVUYUBK-ONGXEEELSA-N 0 0 309.460 3.677 10 0 DHAERN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(OCC(C)C)cc2)o1 ZINC000131429318 526405330 /nfs/dbraw/zinc/40/53/30/526405330.db2.gz BFFVCVJSGDDYFW-STQMWFEESA-N 0 0 303.406 3.825 10 0 DHAERN c1cc(C2CCN(Cc3csc(-c4ccoc4)n3)CC2)n[nH]1 ZINC000108362743 526418675 /nfs/dbraw/zinc/41/86/75/526418675.db2.gz YOELKPGCHCNMIX-UHFFFAOYSA-N 0 0 314.414 3.506 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)N[C@@H](C)c2ccc(C)o2)n1 ZINC000183001157 526429358 /nfs/dbraw/zinc/42/93/58/526429358.db2.gz LXOMREJACHKGMO-SKDRFNHKSA-N 0 0 307.419 3.517 10 0 DHAERN c1csc([C@H]2CCCCN2Cc2cccc3c2OCO3)n1 ZINC000127652191 526588661 /nfs/dbraw/zinc/58/86/61/526588661.db2.gz WWFMKVBXIGLPQT-CYBMUJFWSA-N 0 0 302.399 3.599 10 0 DHAERN O=C(NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cc[nH]c1 ZINC000156574929 526625998 /nfs/dbraw/zinc/62/59/98/526625998.db2.gz IDPFFIVYAJONOO-MFKMUULPSA-N 0 0 309.196 3.855 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1nnc([C@H]2C[C@@H]2c2cccnc2)o1 ZINC000299744852 526740795 /nfs/dbraw/zinc/74/07/95/526740795.db2.gz UXJXXNQTTUPJQO-XGUBFFRZSA-N 0 0 313.401 3.654 10 0 DHAERN Clc1cc(-c2ncnc(Cl)c2Br)ccn1 ZINC000095097505 526924961 /nfs/dbraw/zinc/92/49/61/526924961.db2.gz ZZSJOIHUSDPYEY-UHFFFAOYSA-N 0 0 304.962 3.608 10 0 DHAERN O=C(Nc1c[nH]nc1-c1ccccn1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000156591809 527097181 /nfs/dbraw/zinc/09/71/81/527097181.db2.gz WSHZCZCFCZAEJP-KGLIPLIRSA-N 0 0 310.401 3.627 10 0 DHAERN O=C(Nc1cc(F)c(F)cc1F)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180675992 527117316 /nfs/dbraw/zinc/11/73/16/527117316.db2.gz MIECGOMNBRTZLK-AWEZNQCLSA-N 0 0 324.306 3.586 10 0 DHAERN O=C(Nc1cccc2cccnc21)N1CCCC[C@H]1c1cn[nH]c1 ZINC000172119012 527384812 /nfs/dbraw/zinc/38/48/12/527384812.db2.gz XCBOYFGXCDFTON-INIZCTEOSA-N 0 0 321.384 3.717 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000121006593 535890125 /nfs/dbraw/zinc/89/01/25/535890125.db2.gz IQIDCDMISGKGHU-RHSMWYFYSA-N 0 0 314.385 3.652 10 0 DHAERN Fc1ccc(-c2nnc(=S)[nH]c2-c2ccc(F)cc2)cc1 ZINC000006322359 563332472 /nfs/dbraw/zinc/33/24/72/563332472.db2.gz DLDBGTWAPXNUNC-UHFFFAOYSA-N 0 0 301.321 3.773 10 0 DHAERN CC(C)N(C[C@@H]1COc2ccccc2C1)C(=O)c1cccs1 ZINC000032985074 563458104 /nfs/dbraw/zinc/45/81/04/563458104.db2.gz SILCMQIMKDPDBV-CQSZACIVSA-N 0 0 315.438 3.850 10 0 DHAERN CCc1csc(-c2ccc(CNC(=O)c3cccnc3)cc2)n1 ZINC000097938104 563460691 /nfs/dbraw/zinc/46/06/91/563460691.db2.gz GOFBOGJKTRMHDH-UHFFFAOYSA-N 0 0 323.421 3.698 10 0 DHAERN Cc1nc([C@@H]2NCCc3sccc32)sc1Br ZINC000719294980 563477673 /nfs/dbraw/zinc/47/76/73/563477673.db2.gz WVOYREPHWUCKKH-SECBINFHSA-N 0 0 315.261 3.511 10 0 DHAERN C[C@H]1CC[C@@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000100394344 563550195 /nfs/dbraw/zinc/55/01/95/563550195.db2.gz CDAVCIQKORJVFJ-AQUOVQTQSA-N 0 0 312.196 3.919 10 0 DHAERN Cc1ccc(Br)c2c(Cl)c(C)c(=O)n(C)c12 ZINC000725259981 563565824 /nfs/dbraw/zinc/56/58/24/563565824.db2.gz LLLDCPVZTNQBOP-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN CC(C)NC(=O)c1sc(C(C)(C)C)c(Br)c1N ZINC000725263837 563569634 /nfs/dbraw/zinc/56/96/34/563569634.db2.gz ORZHDCVALBLXEU-UHFFFAOYSA-N 0 0 319.268 3.529 10 0 DHAERN COc1cc(CCC(=O)Nc2ccccc2)cc(Cl)c1OC ZINC000048544626 563698479 /nfs/dbraw/zinc/69/84/79/563698479.db2.gz FZGQWTBAFXQRIE-UHFFFAOYSA-N 0 0 319.788 3.929 10 0 DHAERN Clc1ccc2cc(C[NH2+]C3CC3)c(N3CCCC3)nc2c1 ZINC000299798160 563806230 /nfs/dbraw/zinc/80/62/30/563806230.db2.gz WAWVZLYKIJFGHB-UHFFFAOYSA-N 0 0 301.821 3.740 10 0 DHAERN Cc1ccc(Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000036393269 563898320 /nfs/dbraw/zinc/89/83/20/563898320.db2.gz LFKJUCWQWXNZFX-KBPBESRZSA-N 0 0 317.458 3.804 10 0 DHAERN CC(C)[NH+](Cc1cc(C(=O)[O-])ccc1Br)C(C)C ZINC000675074008 563910956 /nfs/dbraw/zinc/91/09/56/563910956.db2.gz WGVMVCIYSBUKJD-UHFFFAOYSA-N 0 0 314.223 3.766 10 0 DHAERN O=C(Cc1ccccc1)[C@H](c1ccccc1)C1C(=O)CCCC1=O ZINC000032106331 563923940 /nfs/dbraw/zinc/92/39/40/563923940.db2.gz BIGFHTOKIGXRBV-FQEVSTJZSA-N 0 0 320.388 3.520 10 0 DHAERN CCn1nc(C)c(CN(CC(C)C)C(=O)C2CCCC2)c1C ZINC000033174637 563960261 /nfs/dbraw/zinc/96/02/61/563960261.db2.gz RYXSVRKMBQBCFS-UHFFFAOYSA-N 0 0 305.466 3.695 10 0 DHAERN CCCC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000300080257 962979126 /nfs/dbraw/zinc/97/91/26/962979126.db2.gz FMTLPZWSJSBCQO-GWCFXTLKSA-N 0 0 314.223 3.743 10 0 DHAERN Cc1cc([C@@H](C)NC(=O)N2CCC(OCC(C)C)CC2)c(C)o1 ZINC000067727634 1013780676 /nfs/dbraw/zinc/78/06/76/1013780676.db2.gz ZRPJQPHBUYPKDJ-CQSZACIVSA-N 0 0 322.449 3.804 10 0 DHAERN C[C@@H](NC(=O)NC[C@@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000056419962 1014263932 /nfs/dbraw/zinc/26/39/32/1014263932.db2.gz JWMBJJALTNIKJI-CABCVRRESA-N 0 0 318.461 3.771 10 0 DHAERN Cc1ccc(F)cc1C[N@H+](CCC(=O)[O-])Cc1ccccc1 ZINC000692415486 976456612 /nfs/dbraw/zinc/45/66/12/976456612.db2.gz WOLZXDYAUWKDLP-UHFFFAOYSA-N 0 0 301.361 3.611 10 0 DHAERN CCC(CC)([NH2+]CCc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000722130045 978132786 /nfs/dbraw/zinc/13/27/86/978132786.db2.gz XAJXFMHASCLCIQ-UHFFFAOYSA-N 0 0 304.217 3.769 10 0 DHAERN CN(CCOCC1CC1)Cc1ncc(-c2ccccc2Cl)o1 ZINC000088599931 1032309979 /nfs/dbraw/zinc/30/99/79/1032309979.db2.gz QXLDLKYYBBZKFR-UHFFFAOYSA-N 0 0 320.820 3.853 10 0 DHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)c1cccc2ncccc21 ZINC000089844963 1032366257 /nfs/dbraw/zinc/36/62/57/1032366257.db2.gz PSTJCMWEWUBAPT-ORAYPTAESA-N 0 0 318.376 3.762 10 0 DHAERN Cc1cc(C)n2c(CN3CC=C(c4cccs4)CC3)cnc2n1 ZINC000093533768 1032543348 /nfs/dbraw/zinc/54/33/48/1032543348.db2.gz AEDDSLFIVFVIMI-UHFFFAOYSA-N 0 0 324.453 3.697 10 0 DHAERN C[C@H]1CC(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@H](C)O1 ZINC000091922580 1019494322 /nfs/dbraw/zinc/49/43/22/1019494322.db2.gz KPLXVGXXSDKHGC-YUMQZZPRSA-N 0 0 303.189 3.531 10 0 DHAERN c1ccc2[nH]c([C@H]3CCCN3c3nc(C4CC4)ns3)nc2c1 ZINC000092584667 1019540930 /nfs/dbraw/zinc/54/09/30/1019540930.db2.gz IUXJERMHCPSDIP-CYBMUJFWSA-N 0 0 311.414 3.633 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000055070876 1025871502 /nfs/dbraw/zinc/87/15/02/1025871502.db2.gz KAVRXUFSXNIANY-CYBMUJFWSA-N 0 0 315.417 3.761 10 0 DHAERN O=C(c1ccccc1F)N1CCC[C@H](COc2ccccc2)C1 ZINC000062078760 1025937853 /nfs/dbraw/zinc/93/78/53/1025937853.db2.gz IMBORSVOVCNEPJ-HNNXBMFYSA-N 0 0 313.372 3.757 10 0 DHAERN Cc1ccc(/C=C/C(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000067046662 1030518893 /nfs/dbraw/zinc/51/88/93/1030518893.db2.gz YRFJFGHEIDGVDJ-FDMDGMSGSA-N 0 0 312.438 3.871 10 0 DHAERN COc1cccc(-c2noc(CN(C)[C@@H](C)c3ccco3)n2)c1 ZINC000069068676 1030543078 /nfs/dbraw/zinc/54/30/78/1030543078.db2.gz XOLZAOZYEJAQKQ-LBPRGKRZSA-N 0 0 313.357 3.531 10 0 DHAERN COc1cccc(-c2noc(CN(C)[C@H](C)c3ccco3)n2)c1 ZINC000069068679 1030543823 /nfs/dbraw/zinc/54/38/23/1030543823.db2.gz XOLZAOZYEJAQKQ-GFCCVEGCSA-N 0 0 313.357 3.531 10 0 DHAERN C[C@H]1CN(Cc2ncc(-c3ccccc3Cl)o2)CCS1 ZINC000075715303 1030683149 /nfs/dbraw/zinc/68/31/49/1030683149.db2.gz NIFNCTUKRRIPEB-NSHDSACASA-N 0 0 308.834 3.932 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3CCCCC3)C2)cc1 ZINC000078186877 1030921003 /nfs/dbraw/zinc/92/10/03/1030921003.db2.gz YUIWJRFQWZMMMK-RHSMWYFYSA-N 0 0 301.430 3.980 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000080060341 1031275803 /nfs/dbraw/zinc/27/58/03/1031275803.db2.gz ZCZQICFEERMWFH-HOTGVXAUSA-N 0 0 315.413 3.557 10 0 DHAERN CCn1c2ccccc2nc1[C@@H](C)NCc1cnn(C(C)C)c1 ZINC000076892210 185050496 /nfs/dbraw/zinc/05/04/96/185050496.db2.gz QOYYGOABNMYUTN-CQSZACIVSA-N 0 0 311.433 3.684 10 0 DHAERN Fc1ccccc1CNc1cc(C(F)(F)F)nc(Cl)n1 ZINC000082501770 185187330 /nfs/dbraw/zinc/18/73/30/185187330.db2.gz ITAZSWNRTCTGMR-UHFFFAOYSA-N 0 0 305.662 3.900 10 0 DHAERN COC(=O)c1nc(C)sc1-c1cccc(Br)c1 ZINC000083239252 185221392 /nfs/dbraw/zinc/22/13/92/185221392.db2.gz ZKFVRMJOYPRCPP-UHFFFAOYSA-N 0 0 312.188 3.668 10 0 DHAERN c1ccc(C2=CC=C[C@@](C3=NCCO3)(c3ccccc3)N2)cc1 ZINC000087493188 185226630 /nfs/dbraw/zinc/22/66/30/185226630.db2.gz GKPCOLDUQIPRHS-FQEVSTJZSA-N 0 0 302.377 3.511 10 0 DHAERN CCCCc1nc(Cl)c(CN[C@@H]2COc3ccccc32)[nH]1 ZINC000088399303 185248602 /nfs/dbraw/zinc/24/86/02/185248602.db2.gz SUXYUNJZQJBTBA-CYBMUJFWSA-N 0 0 305.809 3.629 10 0 DHAERN COc1cccc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1F ZINC000090141787 185283476 /nfs/dbraw/zinc/28/34/76/185283476.db2.gz MERYWBSLPLFWCC-VHSXEESVSA-N 0 0 319.298 3.685 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000090224408 185287413 /nfs/dbraw/zinc/28/74/13/185287413.db2.gz HUVPHELPBUEFLJ-GUYCJALGSA-N 0 0 314.433 3.559 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000090224840 185287436 /nfs/dbraw/zinc/28/74/36/185287436.db2.gz RCGQCHREHYWGIZ-ACJLOTCBSA-N 0 0 310.445 3.651 10 0 DHAERN CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1ccc(Cl)s1 ZINC000090224675 185287472 /nfs/dbraw/zinc/28/74/72/185287472.db2.gz VYJVRGVISUNRHE-QWRGUYRKSA-N 0 0 310.854 3.877 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(F)cc1Cl ZINC000090226118 185287637 /nfs/dbraw/zinc/28/76/37/185287637.db2.gz NKDMROPXYJQAJW-YMTOWFKASA-N 0 0 308.788 3.565 10 0 DHAERN CCOC(OCC)c1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000090295222 185289846 /nfs/dbraw/zinc/28/98/46/185289846.db2.gz HCDQLMOBVPLCOE-UHFFFAOYSA-N 0 0 316.188 3.646 10 0 DHAERN Clc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1 ZINC000090495407 185298991 /nfs/dbraw/zinc/29/89/91/185298991.db2.gz VNSBTHYARQCCRU-UHFFFAOYSA-N 0 0 321.771 3.590 10 0 DHAERN CCN(CC)c1nc(-c2ccccc2)ncc1Br ZINC000090450287 185297116 /nfs/dbraw/zinc/29/71/16/185297116.db2.gz YVTQHJZJIYKHPH-UHFFFAOYSA-N 0 0 306.207 3.752 10 0 DHAERN Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1 ZINC000090600292 185305949 /nfs/dbraw/zinc/30/59/49/185305949.db2.gz AUHMRKDXVOGQFA-UHFFFAOYSA-N 0 0 310.426 3.931 10 0 DHAERN O=C1CS[C@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1 ZINC000090558312 185303115 /nfs/dbraw/zinc/30/31/15/185303115.db2.gz NYQIDUOYKRXGKJ-MRXNPFEDSA-N 0 0 305.349 3.739 10 0 DHAERN Oc1c(C[C@@H]2CC(c3ccccc3)=NO2)ccc2cccnc21 ZINC000090698100 185309850 /nfs/dbraw/zinc/30/98/50/185309850.db2.gz VUTVDKWQKIKTIS-MRXNPFEDSA-N 0 0 304.349 3.676 10 0 DHAERN O=C(c1ccccc1)N1CCc2ccccc2[C@H]1c1ccc[nH]1 ZINC000090635800 185307645 /nfs/dbraw/zinc/30/76/45/185307645.db2.gz ONQNXUISHLSBFV-IBGZPJMESA-N 0 0 302.377 3.803 10 0 DHAERN COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(O)cc1 ZINC000008906759 190632621 /nfs/dbraw/zinc/63/26/21/190632621.db2.gz ZMCNBWZICUFHNQ-UHFFFAOYSA-N 0 0 312.152 3.960 10 0 DHAERN COc1ccccc1NC(=O)c1cnn(CC(C)C)c1C1CC1 ZINC000092815003 185344094 /nfs/dbraw/zinc/34/40/94/185344094.db2.gz GWHFQWSODFJVNY-UHFFFAOYSA-N 0 0 313.401 3.677 10 0 DHAERN C/C(=C/c1ccccc1)CN1CCO[C@H](c2nccs2)C1 ZINC000092831669 185344606 /nfs/dbraw/zinc/34/46/06/185344606.db2.gz IHODHOZTJHWUCV-QBOMHBFWSA-N 0 0 300.427 3.620 10 0 DHAERN C[C@H](NC(=O)c1cc(Cl)nc2ccccc21)c1ccco1 ZINC000025462052 190650583 /nfs/dbraw/zinc/65/05/83/190650583.db2.gz DOABMZOKDAJLOZ-JTQLQIEISA-N 0 0 300.745 3.972 10 0 DHAERN CCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000190517356 334942165 /nfs/dbraw/zinc/94/21/65/334942165.db2.gz ICEDDVWEZFAFIY-AWEZNQCLSA-N 0 0 314.433 3.669 10 0 DHAERN CSC[C@H]1CCCN1c1nccc(Oc2ccc(F)cc2)n1 ZINC000133291252 334954873 /nfs/dbraw/zinc/95/48/73/334954873.db2.gz KFUFNERHIASYRS-CYBMUJFWSA-N 0 0 319.405 3.740 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000103385100 185449037 /nfs/dbraw/zinc/44/90/37/185449037.db2.gz FFLIANPRIVFQGX-RYUDHWBXSA-N 0 0 318.442 3.578 10 0 DHAERN NC(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 ZINC000226236012 201768306 /nfs/dbraw/zinc/76/83/06/201768306.db2.gz ADIAWYDETOPRPN-UHFFFAOYSA-N 0 0 306.152 3.636 10 0 DHAERN CC1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 ZINC000226263164 201770821 /nfs/dbraw/zinc/77/08/21/201770821.db2.gz GZBGMXXOTPQRFH-UHFFFAOYSA-N 0 0 315.442 3.819 10 0 DHAERN CC(=O)NCCn1ccc(-c2ccccc2)c1-c1ccccc1 ZINC000138401763 186016570 /nfs/dbraw/zinc/01/65/70/186016570.db2.gz DAMIPLNLHLANRQ-UHFFFAOYSA-N 0 0 304.393 3.958 10 0 DHAERN COc1cccc(F)c1C1=NCCC(=O)c2ccc(Cl)cc21 ZINC000072191264 191073646 /nfs/dbraw/zinc/07/36/46/191073646.db2.gz YEQYRJGDOZAGDS-UHFFFAOYSA-N 0 0 317.747 3.912 10 0 DHAERN Brc1cc(Br)nc(C2CCOCC2)c1 ZINC000072193443 191073904 /nfs/dbraw/zinc/07/39/04/191073904.db2.gz VNMRGXZTYYFNRV-UHFFFAOYSA-N 0 0 321.012 3.501 10 0 DHAERN CCOC(=O)C=C(Nc1ccccc1N)c1ccccc1Cl ZINC000072236441 191080718 /nfs/dbraw/zinc/08/07/18/191080718.db2.gz GYIWLLCHEKFVQV-LFIBNONCSA-N 0 0 316.788 3.938 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(Cl)o2)C12CCCC2 ZINC000150807441 186067396 /nfs/dbraw/zinc/06/73/96/186067396.db2.gz GJEPRPYACLXAGG-STQMWFEESA-N 0 0 311.809 3.743 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2sc(C)nc2C)C12CCCC2 ZINC000150808149 186067630 /nfs/dbraw/zinc/06/76/30/186067630.db2.gz XTVIVXZQBHXDSG-ZIAGYGMSSA-N 0 0 322.474 3.570 10 0 DHAERN COc1ccc(-c2nc3nccc(-c4ccc(C)cc4)n3n2)cc1 ZINC000072451495 191170082 /nfs/dbraw/zinc/17/00/82/191170082.db2.gz QHQDZTILUNFHCA-UHFFFAOYSA-N 0 0 316.364 3.775 10 0 DHAERN COc1ccccc1-c1ccnc2nc(-c3ccc(C)cc3)nn21 ZINC000072451350 191170516 /nfs/dbraw/zinc/17/05/16/191170516.db2.gz OKCAZFLCNSIAGS-UHFFFAOYSA-N 0 0 316.364 3.775 10 0 DHAERN Clc1ccc(-c2nc3nccc(-c4cccnc4)n3n2)cc1 ZINC000072451478 191170631 /nfs/dbraw/zinc/17/06/31/191170631.db2.gz SGMPYWZZESWFDE-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN CCOC(=O)c1cc(-c2nnc(-c3ccccc3)o2)c(C)nc1C ZINC000000203098 180724062 /nfs/dbraw/zinc/72/40/62/180724062.db2.gz FPPNRQNGBWLAPW-UHFFFAOYSA-N 0 0 323.352 3.592 10 0 DHAERN C[C@H](CC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccccc1 ZINC000000406510 180778533 /nfs/dbraw/zinc/77/85/33/180778533.db2.gz QTEDIMBXZHKQES-RHSMWYFYSA-N 0 0 309.365 3.900 10 0 DHAERN O=C(c1ccc(Cl)cc1)n1c(=O)oc2ccc(Cl)cc21 ZINC000001030259 180842352 /nfs/dbraw/zinc/84/23/52/180842352.db2.gz CCRHTQZJUCDXOH-UHFFFAOYSA-N 0 0 308.120 3.590 10 0 DHAERN CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000073032727 191270840 /nfs/dbraw/zinc/27/08/40/191270840.db2.gz QFNFDZURLMPDPP-UONOGXRCSA-N 0 0 324.852 3.859 10 0 DHAERN Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C ZINC000003481343 181025302 /nfs/dbraw/zinc/02/53/02/181025302.db2.gz AUNPAOMLOVKAIL-SFHVURJKSA-N 0 0 324.424 3.697 10 0 DHAERN Clc1ncnc2cc(Br)c(Br)cc12 ZINC000004206751 181085491 /nfs/dbraw/zinc/08/54/91/181085491.db2.gz FHOUDEUTXFJXQK-UHFFFAOYSA-N 0 0 322.387 3.808 10 0 DHAERN CCOC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1 ZINC000004281468 181092565 /nfs/dbraw/zinc/09/25/65/181092565.db2.gz HCJJTSUIWQDJTI-UHFFFAOYSA-N 0 0 309.774 3.831 10 0 DHAERN O=C1CCN(c2cc(Cl)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073737638 191349035 /nfs/dbraw/zinc/34/90/35/191349035.db2.gz QKINSYKADMHXLE-UHFFFAOYSA-N 0 0 322.195 3.620 10 0 DHAERN O=C(NCCC1=CCCCC1)Nc1ccc2nnsc2c1 ZINC000075343937 191464477 /nfs/dbraw/zinc/46/44/77/191464477.db2.gz GGXCUZHEJUJACD-UHFFFAOYSA-N 0 0 302.403 3.703 10 0 in-vitro DHAERN CS(=O)(=O)c1ccccc1-c1cccc(Br)c1 ZINC000079628506 191956882 /nfs/dbraw/zinc/95/68/82/191956882.db2.gz AESOFENBZVVIDN-UHFFFAOYSA-N 0 0 311.200 3.520 10 0 DHAERN CCN(CC)C(=O)c1cc(-c2ccccc2)sc1NC(C)=O ZINC000005413478 181239914 /nfs/dbraw/zinc/23/99/14/181239914.db2.gz CSRBHAHAZIIFSQ-UHFFFAOYSA-N 0 0 316.426 3.856 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 ZINC000005524736 181253394 /nfs/dbraw/zinc/25/33/94/181253394.db2.gz KOLWJQQWDJCREM-UHFFFAOYSA-N 0 0 313.353 3.740 10 0 DHAERN COCCNC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 ZINC000005641237 181267372 /nfs/dbraw/zinc/26/73/72/181267372.db2.gz XESOAGSFSIINBT-UHFFFAOYSA-N 0 0 321.461 3.542 10 0 DHAERN CC(C)CCONC(=O)Nc1ccccc1Br ZINC000005727078 181277044 /nfs/dbraw/zinc/27/70/44/181277044.db2.gz MOTRHOCFVSRTEM-UHFFFAOYSA-N 0 0 301.184 3.548 10 0 DHAERN CCc1ccccc1-c1nnc(-c2ccc(OC)c(OC)c2)[nH]1 ZINC000005956792 181300736 /nfs/dbraw/zinc/30/07/36/181300736.db2.gz YCCDVJACQVPBJF-UHFFFAOYSA-N 0 0 309.369 3.718 10 0 DHAERN O=C(/C=C/c1cccc(Br)c1)NC1CCCCC1 ZINC000006337605 181331615 /nfs/dbraw/zinc/33/16/15/181331615.db2.gz FFILVCOQTJBZMW-MDZDMXLPSA-N 0 0 308.219 3.911 10 0 DHAERN Cc1ccc(C2=Nc3ccccc3C(c3ccncc3)=NN2)cc1 ZINC000006533808 181350988 /nfs/dbraw/zinc/35/09/88/181350988.db2.gz PAWBEHQCASXAOG-UHFFFAOYSA-N 0 0 312.376 3.824 10 0 DHAERN CCC(=O)Nc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1 ZINC000006591603 181358394 /nfs/dbraw/zinc/35/83/94/181358394.db2.gz FKTFHGFSVHQZHD-CQSZACIVSA-N 0 0 304.434 3.980 10 0 DHAERN CCn1c(C)nnc1CSCCCOc1ccccc1C ZINC000091029368 192973659 /nfs/dbraw/zinc/97/36/59/192973659.db2.gz XJLUVSZAOQOXKA-UHFFFAOYSA-N 0 0 305.447 3.617 10 0 DHAERN CCOC(=O)c1cc2ccccc2n1CC(=O)c1ccccc1 ZINC000006751650 181383411 /nfs/dbraw/zinc/38/34/11/181383411.db2.gz MGINPSCKKCSYCW-UHFFFAOYSA-N 0 0 307.349 3.701 10 0 DHAERN C[C@@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000006805617 181391749 /nfs/dbraw/zinc/39/17/49/181391749.db2.gz SNWCMEVQDIVJNJ-AWEZNQCLSA-N 0 0 322.408 3.977 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cnn(C(C)(C)C)c2)cc1F ZINC000093279786 334995066 /nfs/dbraw/zinc/99/50/66/334995066.db2.gz LVOBHYPHGCSZAA-LBPRGKRZSA-N 0 0 318.396 3.968 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1ncccc1C(F)(F)F ZINC000092214995 193173413 /nfs/dbraw/zinc/17/34/13/193173413.db2.gz XPMDTXSIBUINSK-NSHDSACASA-N 0 0 308.303 3.900 10 0 DHAERN CCN=c1scc(-c2ccc(Br)cc2)n1CC ZINC000254487286 202907301 /nfs/dbraw/zinc/90/73/01/202907301.db2.gz ZOFFPZHZZMSJLU-UHFFFAOYSA-N 0 0 311.248 3.920 10 0 DHAERN CCOc1ccccc1C=CC(=O)Oc1ccc(C(C)=O)cc1 ZINC000007656262 181483282 /nfs/dbraw/zinc/48/32/82/181483282.db2.gz QBKVIPFGQQVHMN-JLHYYAGUSA-N 0 0 310.349 3.907 10 0 DHAERN O=C(c1ccc2ccccc2c1O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000094148956 193346652 /nfs/dbraw/zinc/34/66/52/193346652.db2.gz JVQOLCDKWISTRX-QGZVFWFLSA-N 0 0 321.380 3.636 10 0 DHAERN Oc1ccc2ccc(O)c(Br)c2c1Br ZINC000094568768 193380803 /nfs/dbraw/zinc/38/08/03/193380803.db2.gz QZBCXYVRBUFFBG-UHFFFAOYSA-N 0 0 317.964 3.776 10 0 DHAERN CNS(=O)(=O)[C@@H](C)c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000095075984 193417149 /nfs/dbraw/zinc/41/71/49/193417149.db2.gz OVTRGDYAVBVLRB-LBPRGKRZSA-N 0 0 309.475 3.646 10 0 DHAERN C[C@H](OC[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1 ZINC000095089347 193421829 /nfs/dbraw/zinc/42/18/29/193421829.db2.gz CFWGBBIMAUKTRF-LSDHHAIUSA-N 0 0 320.433 3.949 10 0 DHAERN COc1ccc(CC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1 ZINC000008275798 181542999 /nfs/dbraw/zinc/54/29/99/181542999.db2.gz DQWBDTDLXVLKCP-UHFFFAOYSA-N 0 0 319.788 3.847 10 0 DHAERN Cc1csc(NC(=O)CCC(=O)c2ccc(Cl)s2)n1 ZINC000010555711 181674166 /nfs/dbraw/zinc/67/41/66/181674166.db2.gz IDZYSYWRRGCFEL-UHFFFAOYSA-N 0 0 314.819 3.768 10 0 DHAERN Cc1ccc2nc(-c3ccc(NC(=O)C4CC4)cc3)oc(=O)c2c1 ZINC000010148906 181658351 /nfs/dbraw/zinc/65/83/51/181658351.db2.gz RQTWBBZZAGGKQY-UHFFFAOYSA-N 0 0 320.348 3.512 10 0 DHAERN COc1ccc2nc3c(cc2c1)CCN3C(=O)C1CCCCC1 ZINC000012031987 181724531 /nfs/dbraw/zinc/72/45/31/181724531.db2.gz WOTGSDIOXBGOQY-UHFFFAOYSA-N 0 0 310.397 3.713 10 0 DHAERN COC(=O)Nc1cn2cc(C(Cl)=C(Cl)Cl)ccc2n1 ZINC000013209478 181837803 /nfs/dbraw/zinc/83/78/03/181837803.db2.gz OXGVNSTXIHAKHB-UHFFFAOYSA-N 0 0 320.563 3.855 10 0 DHAERN COc1cc(CCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000013823941 181903363 /nfs/dbraw/zinc/90/33/63/181903363.db2.gz PHFSXZADLXBMFQ-UHFFFAOYSA-N 0 0 315.413 3.564 10 0 DHAERN Cc1ccc(/C=C/C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1 ZINC000014553794 181959230 /nfs/dbraw/zinc/95/92/30/181959230.db2.gz TXPXQRCOIARNHC-MDWZMJQESA-N 0 0 322.408 3.785 10 0 DHAERN Cc1ccc(COc2ccccc2/C=C2\SC(=N)NC2=O)cc1 ZINC000015055922 181985841 /nfs/dbraw/zinc/98/58/41/181985841.db2.gz KUEGUBNFSYAIAB-YBEGLDIGSA-N 0 0 324.405 3.713 10 0 DHAERN Cc1nc2c(cnn2-c2ccccc2)c(NNc2ccccc2)n1 ZINC000016891379 182062258 /nfs/dbraw/zinc/06/22/58/182062258.db2.gz IGENZSGGYQXINF-UHFFFAOYSA-N 0 0 316.368 3.563 10 0 DHAERN CCc1ccc(NC(=O)[C@@H](CC)n2nnc3ccccc32)cc1 ZINC000016895751 182062484 /nfs/dbraw/zinc/06/24/84/182062484.db2.gz OXCYTSSGNKQRLW-MRXNPFEDSA-N 0 0 308.385 3.584 10 0 DHAERN NC(=S)c1ccccc1COc1cccc(Br)c1 ZINC000019487641 182125370 /nfs/dbraw/zinc/12/53/70/182125370.db2.gz QBTLZOUCGOTBDK-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Nc1ccc2c(c1)N(Cc1ccccc1Br)CC2 ZINC000019875142 182159251 /nfs/dbraw/zinc/15/92/51/182159251.db2.gz VNVOHJJOTFFNNY-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN Nc1cc(F)ccc1NC(=O)CSc1ccccc1Cl ZINC000019994915 182175642 /nfs/dbraw/zinc/17/56/42/182175642.db2.gz JBWVRIKKLBQDEY-UHFFFAOYSA-N 0 0 310.781 3.792 10 0 DHAERN Brc1ccc(CNCc2nc3ccccc3s2)o1 ZINC000020136038 182190778 /nfs/dbraw/zinc/19/07/78/182190778.db2.gz RBAZAKDXTFKCLW-UHFFFAOYSA-N 0 0 323.215 3.942 10 0 DHAERN Cc1ccc(Oc2ccc(C(N)=S)cn2)c(Br)c1 ZINC000020077865 182185042 /nfs/dbraw/zinc/18/50/42/182185042.db2.gz YOHXLCYAQAMTNK-UHFFFAOYSA-N 0 0 323.215 3.579 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)Cc1cccc(N)c1 ZINC000020186188 182194952 /nfs/dbraw/zinc/19/49/52/182194952.db2.gz BFAMCWHFMAJTDS-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN CC(C)(C)[C@@H]1CCc2c(sc3ncnc(NCCCO)c32)C1 ZINC000020322919 182206943 /nfs/dbraw/zinc/20/69/43/182206943.db2.gz SYKBEWYBLHXELQ-LLVKDONJSA-N 0 0 319.474 3.637 10 0 DHAERN Oc1cccc(-c2noc(-c3ccc(Br)s3)n2)c1 ZINC000020432828 182217469 /nfs/dbraw/zinc/21/74/69/182217469.db2.gz OFYMUKSCVCOROQ-UHFFFAOYSA-N 0 0 323.171 3.933 10 0 DHAERN COc1cccc([C@H](CC(=O)Nc2cccnc2)n2cccc2)c1 ZINC000020998322 182257900 /nfs/dbraw/zinc/25/79/00/182257900.db2.gz MLFIKWUXNFZSRS-SFHVURJKSA-N 0 0 321.380 3.510 10 0 DHAERN CCCn1cc(Br)cc1C(=O)Nc1cc(C)ccn1 ZINC000036860127 182849443 /nfs/dbraw/zinc/84/94/43/182849443.db2.gz XEUGNOKLKDENQY-UHFFFAOYSA-N 0 0 322.206 3.616 10 0 DHAERN CCc1ccc(-n2nnc(C(=O)Oc3ccccc3C)c2C)cc1 ZINC000036638967 182832885 /nfs/dbraw/zinc/83/28/85/182832885.db2.gz RBJRWTFSHGMTDI-UHFFFAOYSA-N 0 0 321.380 3.666 10 0 DHAERN COc1ccc(CNc2cccc(O)c2)cc1Br ZINC000037237811 182875062 /nfs/dbraw/zinc/87/50/62/182875062.db2.gz PCPLDZBRTUCSRA-UHFFFAOYSA-N 0 0 308.175 3.775 10 0 DHAERN CN(CCc1ccccc1)C(=O)c1nc(Cl)ccc1Cl ZINC000037983384 182952787 /nfs/dbraw/zinc/95/27/87/182952787.db2.gz AADYESGBPUIUPL-UHFFFAOYSA-N 0 0 309.196 3.703 10 0 DHAERN C[C@H](c1ccc(O)cc1)N(C)C(=O)c1ccc(Br)o1 ZINC000038089891 182988313 /nfs/dbraw/zinc/98/83/13/182988313.db2.gz DIMPVFGYDDMRCO-SECBINFHSA-N 0 0 324.174 3.581 10 0 DHAERN Cc1c(C)c(Br)c2nsnc2c1Br ZINC000038885708 183012074 /nfs/dbraw/zinc/01/20/74/183012074.db2.gz IATHBZGHKIVBGB-UHFFFAOYSA-N 0 0 322.025 3.833 10 0 DHAERN CC1CCN(C(=O)Cn2c3ccccc3nc2C(C)(C)C)CC1 ZINC000040239318 183048908 /nfs/dbraw/zinc/04/89/08/183048908.db2.gz AIYXYHYJBWMHFM-UHFFFAOYSA-N 0 0 313.445 3.592 10 0 DHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)N2CCCC2)cc1 ZINC000040249370 183049207 /nfs/dbraw/zinc/04/92/07/183049207.db2.gz FWVSYOLAPFSDNH-UHFFFAOYSA-N 0 0 319.408 3.634 10 0 DHAERN Cc1ccccc1NC(=O)Cn1c2ccccc2nc1C1CC1 ZINC000040295908 183052915 /nfs/dbraw/zinc/05/29/15/183052915.db2.gz KNGNMDFIDWDHOT-UHFFFAOYSA-N 0 0 305.381 3.861 10 0 DHAERN Cc1cccc(OCCn2c(CO)nc3cc(C)c(C)cc32)c1C ZINC000040308921 183053639 /nfs/dbraw/zinc/05/36/39/183053639.db2.gz UVMDMUVBDGGNQZ-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN CCOC(=O)c1sc2nc(-c3cccc(OC)c3)cn2c1C ZINC000040437602 183067264 /nfs/dbraw/zinc/06/72/64/183067264.db2.gz UPFHRVWVJHGWEL-UHFFFAOYSA-N 0 0 316.382 3.557 10 0 DHAERN CCOC(=O)Cc1csc2nc(-c3cc(C)ccc3C)cn12 ZINC000040439762 183067604 /nfs/dbraw/zinc/06/76/04/183067604.db2.gz MWDHZUIBDXAHNY-UHFFFAOYSA-N 0 0 314.410 3.785 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Nc3ncccc3C)c2N)c1 ZINC000040681925 183117175 /nfs/dbraw/zinc/11/71/75/183117175.db2.gz VGPGZVXQBHDLPW-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccc(Sc2ncnc(Nc3cc(C)ccn3)c2N)cc1 ZINC000040701369 183119903 /nfs/dbraw/zinc/11/99/03/183119903.db2.gz GRGMUIACJZSJMA-UHFFFAOYSA-N 0 0 323.425 3.965 10 0 DHAERN CC(C)Nc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N ZINC000040708320 183121419 /nfs/dbraw/zinc/12/14/19/183121419.db2.gz FOLBIMXVBFDNLM-UHFFFAOYSA-N 0 0 311.311 3.642 10 0 DHAERN Nc1c(OC2CCCCC2)ncnc1Sc1ccccc1 ZINC000040783254 183134048 /nfs/dbraw/zinc/13/40/48/183134048.db2.gz JAZJSMXSOCEXNI-UHFFFAOYSA-N 0 0 301.415 3.922 10 0 DHAERN Cc1ccc(Sc2ncnc(N3CCCCCC3)c2N)cc1 ZINC000040725543 183124290 /nfs/dbraw/zinc/12/42/90/183124290.db2.gz ZCZSQCSTRNLBKL-UHFFFAOYSA-N 0 0 314.458 3.899 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)c(C)c1 ZINC000040755330 183129612 /nfs/dbraw/zinc/12/96/12/183129612.db2.gz BJXOQGHVLWQHIJ-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccc(CNc2ncnc(Nc3ccccc3F)c2N)cc1 ZINC000040759196 183130315 /nfs/dbraw/zinc/13/03/15/183130315.db2.gz RNCUUHAAZWAJJI-UHFFFAOYSA-N 0 0 323.375 3.862 10 0 DHAERN Nc1c(Nc2cccnc2)ncnc1Nc1cccc(Cl)c1 ZINC000040759683 183130366 /nfs/dbraw/zinc/13/03/66/183130366.db2.gz DJNAEEFQYRPNTM-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN CC(C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1 ZINC000040898417 183147036 /nfs/dbraw/zinc/14/70/36/183147036.db2.gz JQLXGCJASVVJNU-UHFFFAOYSA-N 0 0 304.440 3.998 10 0 DHAERN CCc1cccc(CC)c1NC(=S)NC(=O)c1ccco1 ZINC000040898327 183147085 /nfs/dbraw/zinc/14/70/85/183147085.db2.gz WKMLTJZOGQZUGO-UHFFFAOYSA-N 0 0 302.399 3.531 10 0 DHAERN Cc1ccc(C)c(-c2csc(NC(=O)C(F)(F)F)n2)c1 ZINC000040925437 183148897 /nfs/dbraw/zinc/14/88/97/183148897.db2.gz YSEVNQQLHISWFM-UHFFFAOYSA-N 0 0 300.305 3.928 10 0 DHAERN CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O ZINC000040952400 183150451 /nfs/dbraw/zinc/15/04/51/183150451.db2.gz VVCZDXMJKPHACT-UHFFFAOYSA-N 0 0 312.369 3.524 10 0 DHAERN CCOc1ccc(-c2cn3c(C)c(C(C)=O)sc3n2)cc1 ZINC000041005672 183155876 /nfs/dbraw/zinc/15/58/76/183155876.db2.gz NDJABCLKFKSUFB-UHFFFAOYSA-N 0 0 300.383 3.973 10 0 DHAERN O=C(Nc1ccnc2cc(C(F)(F)F)ccc21)c1ccncc1 ZINC000041057387 183160422 /nfs/dbraw/zinc/16/04/22/183160422.db2.gz NEQUHJBVGRQSEZ-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN OC[C@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000041542932 183201263 /nfs/dbraw/zinc/20/12/63/183201263.db2.gz UWJPYHBKDVTSTI-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN OC[C@H](Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000041542938 183201365 /nfs/dbraw/zinc/20/13/65/183201365.db2.gz SOIDDCQIEMQWCX-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN Nc1cc(Br)cc2nc(-c3cccc(F)c3)oc21 ZINC000041569862 183204254 /nfs/dbraw/zinc/20/42/54/183204254.db2.gz OQZHVKNMWLPKAF-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN O=C1CCCc2cc([C@H](O)c3ccccc3Cl)ccc2N1 ZINC000042268773 183249002 /nfs/dbraw/zinc/24/90/02/183249002.db2.gz JIYQHNOJEMOOFA-KRWDZBQOSA-N 0 0 301.773 3.697 10 0 DHAERN CC[C@@H](C)N(CCOC)[C@@H](C)C(=O)c1ccc(Cl)s1 ZINC000042587216 183287526 /nfs/dbraw/zinc/28/75/26/183287526.db2.gz YRYZHTSNTLVQOP-MNOVXSKESA-N 0 0 303.855 3.720 10 0 DHAERN CC[C@@H](NC(=O)c1cc(Br)cn1C1CC1)C(C)C ZINC000042593518 183289569 /nfs/dbraw/zinc/28/95/69/183289569.db2.gz WDCZLJZKSHUXOC-GFCCVEGCSA-N 0 0 313.239 3.750 10 0 DHAERN C[C@H](C(=O)c1ccc(Cl)s1)N(CC(F)(F)F)C1CC1 ZINC000042776315 183307459 /nfs/dbraw/zinc/30/74/59/183307459.db2.gz QJWFTLCNCUTSKV-SSDOTTSWSA-N 0 0 311.756 3.999 10 0 DHAERN CCN(CC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)COC ZINC000042774813 183307565 /nfs/dbraw/zinc/30/75/65/183307565.db2.gz BLJDQDACPUQYOP-SNVBAGLBSA-N 0 0 304.217 3.533 10 0 DHAERN Oc1ccc(CNCc2nc3ccccc3s2)cc1Cl ZINC000043477201 183365582 /nfs/dbraw/zinc/36/55/82/183365582.db2.gz LBFNZYKXWHHRMI-UHFFFAOYSA-N 0 0 304.802 3.945 10 0 DHAERN CC(C)[C@@H](c1cccs1)n1ncc(Br)c1N ZINC000043666509 183377646 /nfs/dbraw/zinc/37/76/46/183377646.db2.gz KOYVVXXRWDKVFF-JTQLQIEISA-N 0 0 300.225 3.535 10 0 DHAERN COC(=O)c1sc(Oc2cccc(F)c2F)nc1Cl ZINC000062614673 335040076 /nfs/dbraw/zinc/04/00/76/335040076.db2.gz QCWRDJCVTUHTSP-UHFFFAOYSA-N 0 0 305.689 3.654 10 0 DHAERN CCn1cnnc1C1CCN([C@H](C)c2c(F)cccc2F)CC1 ZINC000105930089 194172593 /nfs/dbraw/zinc/17/25/93/194172593.db2.gz MMYZZFRLZIBYDW-GFCCVEGCSA-N 0 0 320.387 3.517 10 0 DHAERN CCc1nccn1[C@H]1CCCN(Cc2cccc(F)c2F)C1 ZINC000106215281 194189261 /nfs/dbraw/zinc/18/92/61/194189261.db2.gz VRBRPPNKANTVDA-AWEZNQCLSA-N 0 0 305.372 3.561 10 0 DHAERN CCCCOCCOc1c(N)cc(Cl)cc1Br ZINC000049261318 183722542 /nfs/dbraw/zinc/72/25/42/183722542.db2.gz YZATUNRBLDZCCY-UHFFFAOYSA-N 0 0 322.630 3.880 10 0 DHAERN Oc1ccccc1OCCOc1cccc(Br)c1 ZINC000049596693 183745780 /nfs/dbraw/zinc/74/57/80/183745780.db2.gz LCWFVJZHRPZTMQ-UHFFFAOYSA-N 0 0 309.159 3.613 10 0 DHAERN CN(Cc1ccc(F)c(Br)c1)c1cccc(N)c1 ZINC000049596519 183745929 /nfs/dbraw/zinc/74/59/29/183745929.db2.gz CZWKVBFCNKJJPB-UHFFFAOYSA-N 0 0 309.182 3.807 10 0 DHAERN COc1ccc(Br)cc1C[C@H](O)c1ccsc1 ZINC000049598443 183746617 /nfs/dbraw/zinc/74/66/17/183746617.db2.gz AWJNOURUDWVMHH-LBPRGKRZSA-N 0 0 313.216 3.795 10 0 DHAERN COCc1cc(Cl)nc(-c2ccccc2Br)n1 ZINC000051700341 183835052 /nfs/dbraw/zinc/83/50/52/183835052.db2.gz OLWHZLBZDAMRQP-UHFFFAOYSA-N 0 0 313.582 3.706 10 0 DHAERN COCc1cc(Cl)nc(N2c3ccc(F)cc3CC[C@@H]2C)n1 ZINC000057343614 184034514 /nfs/dbraw/zinc/03/45/14/184034514.db2.gz QUWRQELZNWARDV-JTQLQIEISA-N 0 0 321.783 3.888 10 0 DHAERN O=C(Nc1ccccc1C(F)(F)F)[C@@H]1Cc2ccccc2N1 ZINC000058581571 184123786 /nfs/dbraw/zinc/12/37/86/184123786.db2.gz DJDNMLWQNKXVOO-AWEZNQCLSA-N 0 0 306.287 3.681 10 0 DHAERN Nc1ccc(Cl)c(COc2ccccc2Br)n1 ZINC000061640344 184180501 /nfs/dbraw/zinc/18/05/01/184180501.db2.gz AKCMFROIAWCAGR-UHFFFAOYSA-N 0 0 313.582 3.659 10 0 DHAERN CN(C)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 ZINC000061897179 184193802 /nfs/dbraw/zinc/19/38/02/184193802.db2.gz SRPQNSLWTLJDHA-UHFFFAOYSA-N 0 0 310.810 3.502 10 0 DHAERN O[C@H](c1ccc2c(c1)COC2)c1cc(F)cc(Br)c1 ZINC000062334972 184230931 /nfs/dbraw/zinc/23/09/31/184230931.db2.gz KOYHGJDQFXYIKF-OAHLLOKOSA-N 0 0 323.161 3.700 10 0 DHAERN CCOc1ccc(C(=O)Nc2cnc3cc(OC)ccc3c2)cc1 ZINC000065008852 184308592 /nfs/dbraw/zinc/30/85/92/184308592.db2.gz ULYCCNZZUGTODB-UHFFFAOYSA-N 0 0 322.364 3.894 10 0 DHAERN O=C(NC[C@@]1(c2ccccc2)CCCOCC1)C1CCCCC1 ZINC000065226087 184315323 /nfs/dbraw/zinc/31/53/23/184315323.db2.gz CUDVFQYRDDVLPV-HXUWFJFHSA-N 0 0 315.457 3.821 10 0 DHAERN CN(Cc1ccccc1)C(=O)CCc1ccc2ccn(C)c2c1 ZINC000064611317 184301772 /nfs/dbraw/zinc/30/17/72/184301772.db2.gz BKLWWSOAFVYWIK-UHFFFAOYSA-N 0 0 306.409 3.770 10 0 DHAERN Cc1cc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)on1 ZINC000065247369 184318408 /nfs/dbraw/zinc/31/84/08/184318408.db2.gz WYXQIQLQIXJYCM-UHFFFAOYSA-N 0 0 322.339 3.992 10 0 DHAERN c1csc(CN2CCC[C@@H]2c2nc(-c3cccnc3)no2)c1 ZINC000065286692 184321557 /nfs/dbraw/zinc/32/15/57/184321557.db2.gz JKDXWGHHAMFTHP-CQSZACIVSA-N 0 0 312.398 3.530 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCCC1 ZINC000151945625 196750824 /nfs/dbraw/zinc/75/08/24/196750824.db2.gz YQSSZITUAPWDSH-HNNXBMFYSA-N 0 0 300.402 3.628 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N2Cc3ccccc3-c3ccccc3C2)O1 ZINC000151577440 196698673 /nfs/dbraw/zinc/69/86/73/196698673.db2.gz KYWFQSBJQJRVAI-LIRRHRJNSA-N 0 0 307.393 3.763 10 0 DHAERN O=C(Nc1c[nH]c2ccccc12)c1cnn(Cc2ccccc2)c1 ZINC000020541561 257103019 /nfs/dbraw/zinc/10/30/19/257103019.db2.gz WRLLDRIFBWYCFO-UHFFFAOYSA-N 0 0 316.364 3.665 10 0 DHAERN O=C1C2CC3CC1CC(C2)C3Nc1ccc(Br)cc1 ZINC000504729449 257139847 /nfs/dbraw/zinc/13/98/47/257139847.db2.gz BEPDCQJAMFMSIM-UHFFFAOYSA-N 0 0 320.230 3.865 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2N(C)Cc2ccccc2)O1 ZINC000150869565 196597135 /nfs/dbraw/zinc/59/71/35/196597135.db2.gz GKZWVDJRTKCTQS-BEFAXECRSA-N 0 0 324.424 3.829 10 0 DHAERN CC1(C)C[C@@H](NC(=O)N2CCC3(CCC3)C2)c2ccccc2O1 ZINC000150910252 196601944 /nfs/dbraw/zinc/60/19/44/196601944.db2.gz ZJZDJRBYPOXBPZ-OAHLLOKOSA-N 0 0 314.429 3.874 10 0 DHAERN c1ccc([C@H]2OCC[C@@H]2c2nnc([C@H]3CCCCO3)o2)cc1 ZINC000299752237 229396723 /nfs/dbraw/zinc/39/67/23/229396723.db2.gz SYQNOQAXXQSMRQ-RRFJBIMHSA-N 0 0 300.358 3.556 10 0 DHAERN COc1ccc([C@@H](C)Nc2nc3ccccc3n2C)cc1OC ZINC000172156425 332817948 /nfs/dbraw/zinc/81/79/48/332817948.db2.gz SBFOUAYRKPRIKK-GFCCVEGCSA-N 0 0 311.385 3.764 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1cc(F)ccc1F)C1CCCC1 ZINC000175812935 332909617 /nfs/dbraw/zinc/90/96/17/332909617.db2.gz FTHUPMZXGZNEPP-GFCCVEGCSA-N 0 0 311.372 3.519 10 0 DHAERN Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1F ZINC000109082318 331509444 /nfs/dbraw/zinc/50/94/44/331509444.db2.gz HBNWUVLVVNBRNN-KGLIPLIRSA-N 0 0 319.326 3.832 10 0 DHAERN Cc1cccc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000109096134 331510263 /nfs/dbraw/zinc/51/02/63/331510263.db2.gz QUHHTVXBKNTOJR-CVEARBPZSA-N 0 0 315.363 3.736 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cccc(F)c1 ZINC000174217620 331518787 /nfs/dbraw/zinc/51/87/87/331518787.db2.gz WNZMJZHAUKNONP-ZDUSSCGKSA-N 0 0 302.349 3.553 10 0 DHAERN C[C@@H](NC(=O)c1cc(F)cc2cccnc21)c1cccs1 ZINC000179982332 331554469 /nfs/dbraw/zinc/55/44/69/331554469.db2.gz QCHQJJXJINVYIS-SNVBAGLBSA-N 0 0 300.358 3.926 10 0 DHAERN Nc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cl)c2)cc1 ZINC000037816236 331587281 /nfs/dbraw/zinc/58/72/81/331587281.db2.gz QYSOGNVBUVOBPT-INIZCTEOSA-N 0 0 300.789 3.900 10 0 DHAERN COc1cc(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(OC)cc1Cl ZINC000085628658 331743278 /nfs/dbraw/zinc/74/32/78/331743278.db2.gz UACNADPNQDOLID-AMFBXLIHSA-N 0 0 311.809 3.583 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/C=C\c1ccccc1 ZINC000255474200 331751466 /nfs/dbraw/zinc/75/14/66/331751466.db2.gz HQSHXPZRBOYJJX-UZGISAJGSA-N 0 0 317.429 3.669 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)/C=C\c2cncc(F)c2)o1 ZINC000255545514 331767822 /nfs/dbraw/zinc/76/78/22/331767822.db2.gz LIWFAHQADKYKFS-IOBAAEILSA-N 0 0 314.360 3.889 10 0 DHAERN Cc1csc(C2(NC(=O)C3C[C@@H](C)O[C@H](C)C3)CCCC2)n1 ZINC000094133585 331991525 /nfs/dbraw/zinc/99/15/25/331991525.db2.gz KRYZJAJAAFCADN-CHWSQXEVSA-N 0 0 322.474 3.541 10 0 DHAERN CCC[C@](C)(CO)NC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000086340263 332021009 /nfs/dbraw/zinc/02/10/09/332021009.db2.gz JQRJEDMWMPUUTI-IFXJQAMLSA-N 0 0 314.429 3.751 10 0 DHAERN C[C@@H](NC(=O)c1cccc2c1CCCN2)c1ccc(F)c(F)c1 ZINC000130134065 332023029 /nfs/dbraw/zinc/02/30/29/332023029.db2.gz YTCMLFIMAWJRCJ-LLVKDONJSA-N 0 0 316.351 3.814 10 0 DHAERN CC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1C ZINC000089449495 332069602 /nfs/dbraw/zinc/06/96/02/332069602.db2.gz DLQUCRGZNBRTRG-LBPRGKRZSA-N 0 0 300.358 3.982 10 0 DHAERN CCc1cc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc(=O)[nH]1 ZINC000181162686 332186838 /nfs/dbraw/zinc/18/68/38/332186838.db2.gz JAUOCEGIMZECLN-CYBMUJFWSA-N 0 0 312.413 3.552 10 0 DHAERN COC1(CNC(=O)N[C@H](C)c2ccc3ccccc3c2)CCC1 ZINC000181499926 332195858 /nfs/dbraw/zinc/19/58/58/332195858.db2.gz DTPKPUXFLKZSBD-CQSZACIVSA-N 0 0 312.413 3.769 10 0 DHAERN CCc1ncc(C(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000115364629 332251126 /nfs/dbraw/zinc/25/11/26/332251126.db2.gz DJEXDIVVHUMZIV-JTQLQIEISA-N 0 0 307.444 3.529 10 0 DHAERN CCn1nc(C)c([C@H](C)[NH2+]CCSc2ccccc2)c1C ZINC000045171809 332295577 /nfs/dbraw/zinc/29/55/77/332295577.db2.gz XNYKYCRNVPBOEO-ZDUSSCGKSA-N 0 0 303.475 3.963 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1F ZINC000075375621 334360594 /nfs/dbraw/zinc/36/05/94/334360594.db2.gz ZHJKNTVIVUUQLS-PELKAZGASA-N 0 0 300.171 3.507 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)NCc2ccc(OC3CCCCC3)cc2)O1 ZINC000151379734 332574515 /nfs/dbraw/zinc/57/45/15/332574515.db2.gz DHVNRSVQUJCWSA-KSSFIOAISA-N 0 0 317.429 3.582 10 0 DHAERN COc1ccc(CCCCCC(=O)N2CCS[C@H](C)C2)cc1 ZINC000171566260 332678570 /nfs/dbraw/zinc/67/85/70/332678570.db2.gz ANZLHICISDPPHQ-OAHLLOKOSA-N 0 0 321.486 3.762 10 0 DHAERN COc1cccc(/C(C)=C/c2nc(-c3ccnc(OC)c3)no2)c1 ZINC000177322866 332983401 /nfs/dbraw/zinc/98/34/01/332983401.db2.gz WVLRBEOELGAQMI-FMIVXFBMSA-N 0 0 323.352 3.709 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)c2cnn3c2CCCC3)cc1 ZINC000179068349 333024027 /nfs/dbraw/zinc/02/40/27/333024027.db2.gz PTUQBHQHVFRKJB-CQSZACIVSA-N 0 0 311.429 3.834 10 0 DHAERN CCCO[C@H]1CCCN(C(=O)N[C@H](C)c2cccs2)CC1 ZINC000171747101 333053847 /nfs/dbraw/zinc/05/38/47/333053847.db2.gz KHXBHDMMRWNNPL-KGLIPLIRSA-N 0 0 310.463 3.800 10 0 DHAERN C[C@H](c1ncc(-c2ccccc2)o1)N1CCC[C@@H]1c1cnn(C)c1 ZINC000173653448 333076358 /nfs/dbraw/zinc/07/63/58/333076358.db2.gz OWIQRNMCHVOHRA-RHSMWYFYSA-N 0 0 322.412 3.973 10 0 DHAERN Cc1cnc(CN2CCC[C@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654326 333076425 /nfs/dbraw/zinc/07/64/25/333076425.db2.gz UGUAQHXWLLFOSU-ZDUSSCGKSA-N 0 0 305.447 3.943 10 0 DHAERN Cc1nc(C(=O)N2CCCC[C@H]2c2nccs2)c(C)s1 ZINC000178520073 333140296 /nfs/dbraw/zinc/14/02/96/333140296.db2.gz NOAHVSWZJRPSSL-NSHDSACASA-N 0 0 307.444 3.584 10 0 DHAERN CC[C@@H](Nc1ccc(-n2ccnc2)c(Cl)c1)c1nccn1C ZINC000183031655 333182441 /nfs/dbraw/zinc/18/24/41/333182441.db2.gz ODFSRSGNOKLGIH-CQSZACIVSA-N 0 0 315.808 3.822 10 0 DHAERN C[C@H](NC(=O)N(C)CC1(O)CCCCCC1)c1cccs1 ZINC000189978468 333266000 /nfs/dbraw/zinc/26/60/00/333266000.db2.gz ZMAMJSCVVDHTJA-ZDUSSCGKSA-N 0 0 310.463 3.536 10 0 DHAERN CC(C)[C@H](C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000188292737 333362654 /nfs/dbraw/zinc/36/26/54/333362654.db2.gz AFKDKCSWJSKJKG-NSHDSACASA-N 0 0 310.235 3.641 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C ZINC000188795203 333372733 /nfs/dbraw/zinc/37/27/33/333372733.db2.gz YCVRFVVWJODYHT-MAZHCROVSA-N 0 0 307.409 3.844 10 0 DHAERN CSc1ccccc1S(=O)(=O)N[C@H](C)c1cccs1 ZINC000186872587 333380170 /nfs/dbraw/zinc/38/01/70/333380170.db2.gz NATYNZYRGGBLKZ-SNVBAGLBSA-N 0 0 313.469 3.510 10 0 DHAERN C[C@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000021813610 333390542 /nfs/dbraw/zinc/39/05/42/333390542.db2.gz AUVFKXLOHPPREO-NSHDSACASA-N 0 0 309.818 3.917 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1cccs1)[C@@H](C)C2 ZINC000182412566 333501299 /nfs/dbraw/zinc/50/12/99/333501299.db2.gz RQEYJAJOAWTDTO-BLLLJJGKSA-N 0 0 300.427 3.789 10 0 DHAERN C[C@@H](NC(=O)NCCCN(C)c1ccccc1)c1cccs1 ZINC000047958132 333554164 /nfs/dbraw/zinc/55/41/64/333554164.db2.gz AEEFAMXEDWYFRY-CQSZACIVSA-N 0 0 317.458 3.635 10 0 DHAERN COc1ccc([C@H](C)C(=O)NCc2ccc(SC)cc2)cc1 ZINC000170964550 334096467 /nfs/dbraw/zinc/09/64/67/334096467.db2.gz GZTFZWXUKFGYBQ-ZDUSSCGKSA-N 0 0 315.438 3.837 10 0 DHAERN CCOC(C)(C)CNC(=O)N1CCCC[C@@H]1c1ccc(CC)o1 ZINC000187568843 334265088 /nfs/dbraw/zinc/26/50/88/334265088.db2.gz JAJKMQJSCFKGHW-OAHLLOKOSA-N 0 0 322.449 3.894 10 0 DHAERN CC[C@@H](CC(=O)N1CCc2c(nc(C(C)C)n2C)C1)C(C)C ZINC000112665792 334720817 /nfs/dbraw/zinc/72/08/17/334720817.db2.gz KBAAIIGOXKVUBM-AWEZNQCLSA-N 0 0 305.466 3.501 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000250118597 334876212 /nfs/dbraw/zinc/87/62/12/334876212.db2.gz UTARGKHLMIVFFQ-OTWHNJEPSA-N 0 0 312.457 3.979 10 0 DHAERN CCc1ncc2c(n1)CN(c1nc(-c3ccccc3)cs1)CC2 ZINC000127487606 334878983 /nfs/dbraw/zinc/87/89/83/334878983.db2.gz GCBIEPLLQCVFTR-UHFFFAOYSA-N 0 0 322.437 3.725 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(-c2ccccc2)no1 ZINC000033159230 335646557 /nfs/dbraw/zinc/64/65/57/335646557.db2.gz PQLYXCZTUMBGNO-HNNXBMFYSA-N 0 0 320.348 3.595 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NCC(C)(C)c2cccs2)o1 ZINC000114520356 335803791 /nfs/dbraw/zinc/80/37/91/335803791.db2.gz GRMBLYXAWLZIOS-LBPRGKRZSA-N 0 0 306.431 3.988 10 0 DHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000053961736 335848659 /nfs/dbraw/zinc/84/86/59/335848659.db2.gz DVETZAUYVBBBLQ-RHSMWYFYSA-N 0 0 310.397 3.913 10 0 DHAERN CC(C)c1ccc([C@H](C)Nc2ncccc2S(C)(=O)=O)cc1 ZINC000192055531 336017148 /nfs/dbraw/zinc/01/71/48/336017148.db2.gz BQKXNWFMBWVQGN-ZDUSSCGKSA-N 0 0 318.442 3.782 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ncc(F)cc1F ZINC000192129973 336019566 /nfs/dbraw/zinc/01/95/66/336019566.db2.gz UZSFRUCGMYHPLT-VIFPVBQESA-N 0 0 310.731 3.846 10 0 DHAERN Cc1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cc(C)c1O ZINC000330060488 336110326 /nfs/dbraw/zinc/11/03/26/336110326.db2.gz MTFXEEAYGXRBDN-UZLBHIALSA-N 0 0 323.392 3.688 10 0 DHAERN Cc1nc(C(C)C)oc1Cn1cnc2ccc(Cl)cc2c1=O ZINC000333039192 336197201 /nfs/dbraw/zinc/19/72/01/336197201.db2.gz JDROQKXAIKZCCA-UHFFFAOYSA-N 0 0 317.776 3.518 10 0 DHAERN Cc1cccc2c1O[C@@H](C(=O)Nc1ccc(C)c3c1CCCN3)C2 ZINC000333057758 336197481 /nfs/dbraw/zinc/19/74/81/336197481.db2.gz HUTNPNAWBGJGDP-QGZVFWFLSA-N 0 0 322.408 3.604 10 0 DHAERN C[C@H]1C[C@H](c2nc(-c3ccc4c(c3)NC(=O)C4)no2)C[C@@H](C)C1 ZINC000333077539 336197733 /nfs/dbraw/zinc/19/77/33/336197733.db2.gz DVLLIRPCJLDIHR-YABSGUDNSA-N 0 0 311.385 3.771 10 0 DHAERN Cc1c(Cl)cncc1NC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C ZINC000333080119 336197809 /nfs/dbraw/zinc/19/78/09/336197809.db2.gz LVADIVXLSUIBKO-WDEREUQCSA-N 0 0 308.809 3.623 10 0 DHAERN CC(C)[C@@H]1N(C(=O)Nc2cccc3[nH]ccc32)C[C@]12CCCO2 ZINC000333278585 336201076 /nfs/dbraw/zinc/20/10/76/336201076.db2.gz XKZBNOHGQUSTGC-FUHWJXTLSA-N 0 0 313.401 3.589 10 0 DHAERN CC(C)(C[C@@H]1CCCN(c2cnc3c(n2)CCCC3)C1)C(N)=O ZINC000333614465 336207282 /nfs/dbraw/zinc/20/72/82/336207282.db2.gz YMVXJLXJDSIIBV-ZDUSSCGKSA-N 0 0 316.449 3.523 10 0 DHAERN C[C@H]1OCCC[C@H]1c1nc(-c2cnccc2C(C)(C)C)no1 ZINC000333903266 336211904 /nfs/dbraw/zinc/21/19/04/336211904.db2.gz ZTNXYUQOWKADOY-VXGBXAGGSA-N 0 0 301.390 3.712 10 0 DHAERN COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c(O)c1 ZINC000042373327 336239941 /nfs/dbraw/zinc/23/99/41/336239941.db2.gz PPFRIKNUZOCEEW-MRVPVSSYSA-N 0 0 311.790 3.607 10 0 DHAERN COC[C@@H](C)C(=O)Nc1nc2c(ccc3ccccc23)s1 ZINC000103358172 336240111 /nfs/dbraw/zinc/24/01/11/336240111.db2.gz AFGIXSPBXPUDNW-SNVBAGLBSA-N 0 0 300.383 3.671 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000103378491 336241246 /nfs/dbraw/zinc/24/12/46/336241246.db2.gz LEMUEKVLXICMQZ-ZDUSSCGKSA-N 0 0 317.360 3.626 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCSc2ccccc21 ZINC000167770316 336261660 /nfs/dbraw/zinc/26/16/60/336261660.db2.gz JGEBGLKNPORBNB-KBPBESRZSA-N 0 0 314.458 3.502 10 0 DHAERN O[C@@H]1CCC[C@H](Nc2ccnc3c(Br)cccc23)C1 ZINC000301148673 336292126 /nfs/dbraw/zinc/29/21/26/336292126.db2.gz CALGAMQHRTXHGS-WDEREUQCSA-N 0 0 321.218 3.713 10 0 DHAERN Cc1ccsc1CNc1cc(N2CCC[C@H](C)C2)ncn1 ZINC000301225042 336295562 /nfs/dbraw/zinc/29/55/62/336295562.db2.gz CZASDDKNNGJDPV-LBPRGKRZSA-N 0 0 302.447 3.695 10 0 DHAERN C[C@H]1SCCN(c2nccc(Oc3ccc(F)cc3)n2)[C@@H]1C ZINC000301263718 336297461 /nfs/dbraw/zinc/29/74/61/336297461.db2.gz DUVCYKDAGHVMOK-VXGBXAGGSA-N 0 0 319.405 3.738 10 0 DHAERN O[C@@H](CNc1ncnc2sc3c(c21)CCCC3)C1CCCC1 ZINC000301283160 336298645 /nfs/dbraw/zinc/29/86/45/336298645.db2.gz LLTFZPFDTXYTLT-ZDUSSCGKSA-N 0 0 317.458 3.533 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)c2cc(Cl)nc(C)n2)C12CCCC2 ZINC000301325218 336300646 /nfs/dbraw/zinc/30/06/46/336300646.db2.gz AHIZRYFSUKITOO-OLZOCXBDSA-N 0 0 309.841 3.612 10 0 DHAERN Clc1cccc([C@H]2C[C@H]2Nc2ncc(Br)cn2)c1 ZINC000301379271 336303583 /nfs/dbraw/zinc/30/35/83/336303583.db2.gz XQUCNQPNYQNNQP-VXGBXAGGSA-N 0 0 324.609 3.861 10 0 DHAERN OC[C@@H](Nc1nc(-c2cccc(Cl)c2)no1)c1ccccc1 ZINC000301386308 336303911 /nfs/dbraw/zinc/30/39/11/336303911.db2.gz VWVONGUIMLMKSG-CQSZACIVSA-N 0 0 315.760 3.536 10 0 DHAERN COCc1nc(C)cc(N(C)[C@H](C)c2ccc(Cl)cc2)n1 ZINC000301424096 336305748 /nfs/dbraw/zinc/30/57/48/336305748.db2.gz KBMNRSFCXTVRLJ-GFCCVEGCSA-N 0 0 305.809 3.782 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000301519209 336312003 /nfs/dbraw/zinc/31/20/03/336312003.db2.gz CQRTVSCUNWICNM-ZSDSOXJFSA-N 0 0 302.443 3.727 10 0 DHAERN COC[C@@H](Nc1ccc(-c2ccc(F)cc2)nn1)c1ccco1 ZINC000301523399 336312290 /nfs/dbraw/zinc/31/22/90/336312290.db2.gz FAKIGAOKONMNRL-OAHLLOKOSA-N 0 0 313.332 3.675 10 0 DHAERN CC(C)(C)c1cn2nc(N3C[C@@H]4CCCC[C@@H]4C3)sc2n1 ZINC000301542281 336313628 /nfs/dbraw/zinc/31/36/28/336313628.db2.gz KHGSBGFFIDMCBI-TXEJJXNPSA-N 0 0 304.463 3.715 10 0 DHAERN CCc1cnc([C@@H](C)Nc2ncnc3ccc(F)cc32)s1 ZINC000301546078 336313874 /nfs/dbraw/zinc/31/38/74/336313874.db2.gz LCSWBVKZYZVVKR-SECBINFHSA-N 0 0 302.378 3.961 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@@H]3Cc3ccccc3)c2)n1 ZINC000301548213 336314017 /nfs/dbraw/zinc/31/40/17/336314017.db2.gz UNVDZMNLMHRCJT-QGZVFWFLSA-N 0 0 320.396 3.652 10 0 DHAERN CSc1nc2ncnc(N3CC[C@@H]4CCCC[C@H]43)c2s1 ZINC000301554869 336314552 /nfs/dbraw/zinc/31/45/52/336314552.db2.gz HEENDVFLKKGXMB-VHSXEESVSA-N 0 0 306.460 3.577 10 0 DHAERN Fc1ccccc1SCCNc1c(F)c(F)nc(F)c1F ZINC000301614134 336318370 /nfs/dbraw/zinc/31/83/70/336318370.db2.gz ULBCAOOCUHZRRR-UHFFFAOYSA-N 0 0 320.286 3.981 10 0 DHAERN Fc1ccc2[nH]c(CCNc3ccnc4ccsc43)nc2c1 ZINC000301739942 336326817 /nfs/dbraw/zinc/32/68/17/336326817.db2.gz XEKLEVGKHUZQNI-UHFFFAOYSA-N 0 0 312.373 3.966 10 0 DHAERN COCc1cc(N[C@H]2CC[C@H](SC)C2)nc(C(C)(C)C)n1 ZINC000301795790 336330501 /nfs/dbraw/zinc/33/05/01/336330501.db2.gz PXUQELRITNQAIN-AAEUAGOBSA-N 0 0 309.479 3.617 10 0 DHAERN OCCN(Cc1ccsc1)c1nc(-c2ccccc2)cs1 ZINC000301830935 336332901 /nfs/dbraw/zinc/33/29/01/336332901.db2.gz HWNYJGIPCQUENE-UHFFFAOYSA-N 0 0 316.451 3.871 10 0 DHAERN Cc1nc(CNc2nn3cc(C(C)(C)C)nc3s2)c(C)s1 ZINC000301845887 336333683 /nfs/dbraw/zinc/33/36/83/336333683.db2.gz TYJSEPVHGOJKQI-UHFFFAOYSA-N 0 0 321.475 3.774 10 0 DHAERN Cc1cc(NC[C@@H](O)c2ccc(Cl)c(F)c2)nc(C(C)C)n1 ZINC000301901260 336337377 /nfs/dbraw/zinc/33/73/77/336337377.db2.gz ZZNMANBWEXQRRW-CQSZACIVSA-N 0 0 323.799 3.846 10 0 DHAERN CCOCCN(C)c1nc(-c2ccccc2)nc2ccccc21 ZINC000301956875 336339863 /nfs/dbraw/zinc/33/98/63/336339863.db2.gz MHIOXBIJGQABSD-UHFFFAOYSA-N 0 0 307.397 3.770 10 0 DHAERN Fc1ccc([C@H]2OCC[C@H]2Nc2ccnc(Cl)c2)cc1F ZINC000302001343 336342425 /nfs/dbraw/zinc/34/24/25/336342425.db2.gz JFSRYHQTVIRVKS-UKRRQHHQSA-N 0 0 310.731 3.955 10 0 DHAERN CCc1cc(N2CCO[C@@H](c3ccc(C)cc3C)C2)nc(C)n1 ZINC000302095326 336348246 /nfs/dbraw/zinc/34/82/46/336348246.db2.gz NUCUGMOZXHMYSZ-GOSISDBHSA-N 0 0 311.429 3.542 10 0 DHAERN C[C@H]1CCN(c2nnc(Cc3ccccc3F)s2)C[C@H]1C ZINC000302156058 336351338 /nfs/dbraw/zinc/35/13/38/336351338.db2.gz MYOPHQVSQMAWGG-NWDGAFQWSA-N 0 0 305.422 3.750 10 0 DHAERN C[C@@](O)(CNc1nc2cc(F)ccc2o1)c1cccc(Cl)c1 ZINC000302187091 336353134 /nfs/dbraw/zinc/35/31/34/336353134.db2.gz VXULEXHEXJPSFP-MRXNPFEDSA-N 0 0 320.751 3.940 10 0 DHAERN CC(C)Cc1nsc(NC[C@@H](O)c2ccc(Cl)s2)n1 ZINC000302310126 336357056 /nfs/dbraw/zinc/35/70/56/336357056.db2.gz SFXQJHRLWCHTMS-MRVPVSSYSA-N 0 0 317.867 3.597 10 0 DHAERN CCN(C[C@H](O)c1ccc(C)cc1)c1nc(C(C)(C)C)ns1 ZINC000302396472 336358141 /nfs/dbraw/zinc/35/81/41/336358141.db2.gz FCHIBLJKPJCWTC-AWEZNQCLSA-N 0 0 319.474 3.704 10 0 DHAERN Cc1ccccc1[C@H](O)CNc1ccnc2c(F)cc(F)cc12 ZINC000302551307 336361407 /nfs/dbraw/zinc/36/14/07/336361407.db2.gz WFXYLFSNAJRGMF-QGZVFWFLSA-N 0 0 314.335 3.967 10 0 DHAERN CN(Cc1cc(Cl)cn1C)c1ccc(OC(F)(F)F)cn1 ZINC000302574869 336361960 /nfs/dbraw/zinc/36/19/60/336361960.db2.gz QSBJFYNJGRKLJA-UHFFFAOYSA-N 0 0 319.714 3.609 10 0 DHAERN COc1ccc(-c2nnc(NC[C@@H](C)OC)c3ccccc32)cc1 ZINC000302703899 336365702 /nfs/dbraw/zinc/36/57/02/336365702.db2.gz XZLBEFLHUCNEKG-CYBMUJFWSA-N 0 0 323.396 3.752 10 0 DHAERN C[C@H]1CC[C@H](C(=O)NC(C)(c2ccccc2)c2ccccc2)O1 ZINC000152461692 336388033 /nfs/dbraw/zinc/38/80/33/336388033.db2.gz QCDJWCADOHEIHM-MAUKXSAKSA-N 0 0 309.409 3.634 10 0 DHAERN CCCCC[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000114582132 336607292 /nfs/dbraw/zinc/60/72/92/336607292.db2.gz LTGGCBMHDBUMRG-CJNGLKHVSA-N 0 0 320.481 3.852 10 0 DHAERN O=C(COc1ccc(F)cc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116047892 336830536 /nfs/dbraw/zinc/83/05/36/336830536.db2.gz ULPMOTPIQJZHIA-ZDUSSCGKSA-N 0 0 323.751 3.815 10 0 DHAERN Cc1nnc(CN[C@H](C)c2ccc3ccccc3c2)n1C1CC1 ZINC000120710013 336919698 /nfs/dbraw/zinc/91/96/98/336919698.db2.gz RYMIPPKSQRTVNY-CYBMUJFWSA-N 0 0 306.413 3.925 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccccc2)c2cccc(F)c2)O1 ZINC000121850177 336981529 /nfs/dbraw/zinc/98/15/29/336981529.db2.gz FSTDSZHHZAEFAP-BVGQSLNGSA-N 0 0 313.372 3.599 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)O1 ZINC000122256648 337000431 /nfs/dbraw/zinc/00/04/31/337000431.db2.gz BYMURXLCXAZCFD-HQJQHLMTSA-N 0 0 307.699 3.865 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(OCCF)c2)o1 ZINC000122842908 337027045 /nfs/dbraw/zinc/02/70/45/337027045.db2.gz PRZGESNFAPWVRV-LBPRGKRZSA-N 0 0 306.337 3.819 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)O1 ZINC000122905839 337030267 /nfs/dbraw/zinc/03/02/67/337030267.db2.gz BWUOBRVOSKPSJP-BXKDBHETSA-N 0 0 302.201 3.519 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847660 337079568 /nfs/dbraw/zinc/07/95/68/337079568.db2.gz GLNSSWGWCKMDCC-HNNXBMFYSA-N 0 0 322.861 3.987 10 0 DHAERN CCOc1ccccc1[C@@H](CC)NC(=O)N1CCS[C@@H](C)C1 ZINC000170881709 337083277 /nfs/dbraw/zinc/08/32/77/337083277.db2.gz YYPRDLMLNANKRC-DZGCQCFKSA-N 0 0 322.474 3.683 10 0 DHAERN CSCc1ccc(NC(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000171280922 337086225 /nfs/dbraw/zinc/08/62/25/337086225.db2.gz NQAMEKLWFSDAQL-OAHLLOKOSA-N 0 0 314.410 3.805 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CCS1 ZINC000171369493 337086272 /nfs/dbraw/zinc/08/62/72/337086272.db2.gz QNBZHCKJYYCPGR-JTQLQIEISA-N 0 0 317.414 3.674 10 0 DHAERN Cc1cc2cc(NC(=O)N3CCC[C@@H]3c3cnn(C)c3)ccc2[nH]1 ZINC000171403124 337087171 /nfs/dbraw/zinc/08/71/71/337087171.db2.gz KISKNFXIIBJYNZ-QGZVFWFLSA-N 0 0 323.400 3.579 10 0 DHAERN CCCCCC[C@H](C)NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171454771 337087369 /nfs/dbraw/zinc/08/73/69/337087369.db2.gz ORYOCHGSTJRJKM-HOCLYGCPSA-N 0 0 306.454 3.626 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)ccc1F ZINC000171519233 337087723 /nfs/dbraw/zinc/08/77/23/337087723.db2.gz ZPMUJZBUAZWURK-INIZCTEOSA-N 0 0 305.372 3.652 10 0 DHAERN O=C(NCCc1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000172100919 337089746 /nfs/dbraw/zinc/08/97/46/337089746.db2.gz HLJOPTSTLGPEEV-HNNXBMFYSA-N 0 0 302.349 3.508 10 0 DHAERN O=C(Nc1ccc2c(c1)CCCO2)N1CCC[C@@H]1c1ccco1 ZINC000172152737 337090164 /nfs/dbraw/zinc/09/01/64/337090164.db2.gz WHOMRKXQQGZKMN-OAHLLOKOSA-N 0 0 312.369 3.974 10 0 DHAERN c1coc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)c1 ZINC000172026961 337090996 /nfs/dbraw/zinc/09/09/96/337090996.db2.gz ZPBMATFXCAAERC-LLVKDONJSA-N 0 0 301.371 3.728 10 0 DHAERN CC(C)c1csc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 ZINC000172042852 337091101 /nfs/dbraw/zinc/09/11/01/337091101.db2.gz SAHMEYYKRDGTOW-CYBMUJFWSA-N 0 0 319.434 3.749 10 0 DHAERN O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000172242277 337091542 /nfs/dbraw/zinc/09/15/42/337091542.db2.gz PBJCDPNQGGQFAB-OAHLLOKOSA-N 0 0 303.333 3.551 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2ccc3nccn3c2)o1 ZINC000172669396 337129377 /nfs/dbraw/zinc/12/93/77/337129377.db2.gz VGPOFQGILLWBLP-INIZCTEOSA-N 0 0 323.396 3.857 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccccc2Cl)o1 ZINC000172593870 337130161 /nfs/dbraw/zinc/13/01/61/337130161.db2.gz WBKABYIAQNPMNM-STQMWFEESA-N 0 0 320.820 3.597 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593992 337130286 /nfs/dbraw/zinc/13/02/86/337130286.db2.gz JTBRKYHTKMWNKD-STQMWFEESA-N 0 0 304.365 3.713 10 0 DHAERN CC/C(=C\C(=O)N1CC[C@H](c2cnn(C)c2)C1)c1ccc(C)cc1 ZINC000172856403 337131531 /nfs/dbraw/zinc/13/15/31/337131531.db2.gz FTONRTXOCOGQJL-FYXHJSOBSA-N 0 0 323.440 3.538 10 0 DHAERN CCc1cnc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000173059529 337131795 /nfs/dbraw/zinc/13/17/95/337131795.db2.gz WDHKYAWFDKHZFB-QWRGUYRKSA-N 0 0 308.353 3.726 10 0 DHAERN CSc1ccccc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000172951979 337132589 /nfs/dbraw/zinc/13/25/89/337132589.db2.gz JBXNQBXZOJFJNW-CQSZACIVSA-N 0 0 315.438 3.744 10 0 DHAERN CSc1ccc(C(=O)N[C@@H](C)COCc2ccccc2)cc1 ZINC000172952156 337132614 /nfs/dbraw/zinc/13/26/14/337132614.db2.gz FWXKYJBBOOURNH-AWEZNQCLSA-N 0 0 315.438 3.744 10 0 DHAERN CC(C)c1nc(C(=O)N[C@H](C)COCc2ccccc2)cs1 ZINC000172968580 337132656 /nfs/dbraw/zinc/13/26/56/337132656.db2.gz NNRDRHMHAOSNOF-CYBMUJFWSA-N 0 0 318.442 3.602 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)OCCC(C)C)C2)n1 ZINC000173426717 337135211 /nfs/dbraw/zinc/13/52/11/337135211.db2.gz LRXUGYOZFKOSCB-LSDHHAIUSA-N 0 0 324.490 3.609 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2)n1 ZINC000173416654 337135243 /nfs/dbraw/zinc/13/52/43/337135243.db2.gz JHTKHWROCFSBQZ-LBPRGKRZSA-N 0 0 321.833 3.520 10 0 DHAERN Cc1csc(NC(=O)N2CCC[C@H](c3nc(C)cs3)C2)n1 ZINC000173418431 337135253 /nfs/dbraw/zinc/13/52/53/337135253.db2.gz DSTVJNFKWRVYRR-NSHDSACASA-N 0 0 322.459 3.628 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(Cl)n3)C2)n1 ZINC000173584797 337136660 /nfs/dbraw/zinc/13/66/60/337136660.db2.gz AEVHPMGCPVCXBC-NSHDSACASA-N 0 0 321.833 3.520 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(Cl)c1 ZINC000173628078 337137036 /nfs/dbraw/zinc/13/70/36/337137036.db2.gz SDBKHLZZWQBQTC-NEPJUHHUSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCC[C@@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000173937950 337137671 /nfs/dbraw/zinc/13/76/71/337137671.db2.gz NRJDOUTVFMPMAV-HLLBOEOZSA-N 0 0 311.429 3.876 10 0 DHAERN CCOCCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173967769 337138077 /nfs/dbraw/zinc/13/80/77/337138077.db2.gz FRUVSBSETRYBLQ-CQSZACIVSA-N 0 0 324.490 3.789 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000173854808 337138566 /nfs/dbraw/zinc/13/85/66/337138566.db2.gz REZIYBDEXGGDFG-INIZCTEOSA-N 0 0 305.466 3.728 10 0 DHAERN CCC[C@@H](C)CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000174980997 337143949 /nfs/dbraw/zinc/14/39/49/337143949.db2.gz RMBOTHVCSLXXEA-GFCCVEGCSA-N 0 0 305.422 3.659 10 0 DHAERN COC(=O)c1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)ccc1C ZINC000175044006 337144156 /nfs/dbraw/zinc/14/41/56/337144156.db2.gz WAFGHFIJFXBIIU-LBPRGKRZSA-N 0 0 316.357 3.566 10 0 DHAERN Fc1cccc(-c2cnc(CN3CCO[C@@H]4CCCC[C@@H]43)o2)c1 ZINC000175102274 337144479 /nfs/dbraw/zinc/14/44/79/337144479.db2.gz LAWGCHXVPJPZRX-JKSUJKDBSA-N 0 0 316.376 3.624 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@H](C)C(C)C)C2)n1 ZINC000175208082 337146177 /nfs/dbraw/zinc/14/61/77/337146177.db2.gz VMYUBIDUNRYDQN-GXTWGEPZSA-N 0 0 309.479 3.633 10 0 DHAERN O=S(=O)(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000175290586 337146773 /nfs/dbraw/zinc/14/67/73/337146773.db2.gz UGGOICZBXFJXID-SAAWKEMMSA-N 0 0 321.373 3.556 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175523677 337147721 /nfs/dbraw/zinc/14/77/21/337147721.db2.gz SJRRHDDUXWXGRM-NVXWUHKLSA-N 0 0 320.481 3.724 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175523720 337147784 /nfs/dbraw/zinc/14/77/84/337147784.db2.gz SJRRHDDUXWXGRM-WBVHZDCISA-N 0 0 320.481 3.724 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000175990009 337150037 /nfs/dbraw/zinc/15/00/37/337150037.db2.gz JHRMQEHHWGUTHO-INIZCTEOSA-N 0 0 320.481 3.668 10 0 DHAERN O=C(C/C=C/c1ccc(F)cc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000176308849 337150721 /nfs/dbraw/zinc/15/07/21/337150721.db2.gz KWRAAGVZLUCGKC-REMYHPOOSA-N 0 0 313.376 3.706 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)N[C@@H](C)CCC(C)(C)C ZINC000176264772 337151608 /nfs/dbraw/zinc/15/16/08/337151608.db2.gz HHZIYVZFIDQFQF-GOEBONIOSA-N 0 0 320.481 3.580 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)CCC(C)(C)C ZINC000176264786 337151671 /nfs/dbraw/zinc/15/16/71/337151671.db2.gz HHZIYVZFIDQFQF-ZBFHGGJFSA-N 0 0 320.481 3.580 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cscc3C)C2)n1 ZINC000176945505 337153837 /nfs/dbraw/zinc/15/38/37/337153837.db2.gz JWHDNKDTKUTDIM-LBPRGKRZSA-N 0 0 306.456 3.841 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177187024 337154492 /nfs/dbraw/zinc/15/44/92/337154492.db2.gz JPROALUHXMXRIC-DOTOQJQBSA-N 0 0 305.466 3.789 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(F)cc2Br)o1 ZINC000220917566 337167124 /nfs/dbraw/zinc/16/71/24/337167124.db2.gz HPYNEEHSZAZVNV-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NC2CCCCCC2)no1 ZINC000177341581 337156985 /nfs/dbraw/zinc/15/69/85/337156985.db2.gz GQBQTCGIQYGZCR-AWEZNQCLSA-N 0 0 320.437 3.762 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000177958155 337159386 /nfs/dbraw/zinc/15/93/86/337159386.db2.gz TVRWLKPFOVXLNL-SJCJKPOMSA-N 0 0 301.386 3.521 10 0 DHAERN C[C@@H](N[C@@H](C)c1ccc2ccccc2n1)c1nnc2n1CCCC2 ZINC000178077081 337160348 /nfs/dbraw/zinc/16/03/48/337160348.db2.gz OXKBGWWRTZJSPU-UONOGXRCSA-N 0 0 321.428 3.574 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(F)c(Br)c2)o1 ZINC000220925044 337167163 /nfs/dbraw/zinc/16/71/63/337167163.db2.gz HAILQCWFKLNRDG-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CCCC(CCC)C(=O)N1CCC[C@H](n2ccnc2CC)C1 ZINC000178815483 337167212 /nfs/dbraw/zinc/16/72/12/337167212.db2.gz FTPHEJPBPCNRES-INIZCTEOSA-N 0 0 305.466 3.825 10 0 DHAERN COCc1cccc(C[N@@H+]2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000179214239 337168343 /nfs/dbraw/zinc/16/83/43/337168343.db2.gz GHGSGTFNCVIKQM-GOSISDBHSA-N 0 0 313.445 3.520 10 0 DHAERN Cc1ccc(F)cc1CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000180031292 337173268 /nfs/dbraw/zinc/17/32/68/337173268.db2.gz IGTAPMKSIJOGIC-HNNXBMFYSA-N 0 0 303.381 3.978 10 0 DHAERN CCc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180648153 337176919 /nfs/dbraw/zinc/17/69/19/337176919.db2.gz IMKSGTUWMXRGJX-CHWSQXEVSA-N 0 0 318.490 3.691 10 0 DHAERN Cc1noc(C)c1CCC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181250501 337180617 /nfs/dbraw/zinc/18/06/17/337180617.db2.gz JHOSQMVFFKGUMZ-BUXKBTBVSA-N 0 0 312.413 3.582 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2CCC(=O)c2ccccc2)no1 ZINC000182180320 337187126 /nfs/dbraw/zinc/18/71/26/337187126.db2.gz HPVBXHSPYGSDBY-HNNXBMFYSA-N 0 0 313.401 3.603 10 0 DHAERN CSCCCCCCNC(=O)N[C@@H]1CCOc2ccccc21 ZINC000182235440 337187581 /nfs/dbraw/zinc/18/75/81/337187581.db2.gz ZYDPAEDBSOIQEG-OAHLLOKOSA-N 0 0 322.474 3.733 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)O1 ZINC000182615450 337189143 /nfs/dbraw/zinc/18/91/43/337189143.db2.gz HZAMMMOKDOTYHI-RNCFNFMXSA-N 0 0 313.344 3.648 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC(C)(C)C1 ZINC000183413127 337191581 /nfs/dbraw/zinc/19/15/81/337191581.db2.gz CRLCARIWDMUGNT-YUMQZZPRSA-N 0 0 303.378 3.877 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2nnc(C(F)F)s2)CC(C)(C)C1 ZINC000183413108 337191675 /nfs/dbraw/zinc/19/16/75/337191675.db2.gz CRLCARIWDMUGNT-SFYZADRCSA-N 0 0 303.378 3.877 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000184134549 337196477 /nfs/dbraw/zinc/19/64/77/337196477.db2.gz DIKADDIAVCTESA-UAGQMJEPSA-N 0 0 317.477 3.645 10 0 DHAERN Cc1nc(C(=O)N[C@H]2COc3ccccc32)c(-c2ccccc2)o1 ZINC000184458504 337198893 /nfs/dbraw/zinc/19/88/93/337198893.db2.gz GDTFCHANTWYBNT-HNNXBMFYSA-N 0 0 320.348 3.514 10 0 DHAERN Cc1nnc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)s1 ZINC000185324083 337205063 /nfs/dbraw/zinc/20/50/63/337205063.db2.gz PADHMQJQWKIFIW-LURJTMIESA-N 0 0 316.213 3.644 10 0 DHAERN CC(C)[C@@H](C)NC(=O)NCC1(CCOCc2ccccc2)CC1 ZINC000185485055 337205755 /nfs/dbraw/zinc/20/57/55/337205755.db2.gz LIUFETMHLRREJK-MRXNPFEDSA-N 0 0 318.461 3.717 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000185561221 337248987 /nfs/dbraw/zinc/24/89/87/337248987.db2.gz MITWZMPASCWNNG-OAHLLOKOSA-N 0 0 309.369 3.832 10 0 DHAERN COC1(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCCCC1 ZINC000185714617 337250777 /nfs/dbraw/zinc/25/07/77/337250777.db2.gz LLQWIILMBKDGTI-HNNXBMFYSA-N 0 0 317.429 3.754 10 0 DHAERN C[C@@H]1CN(C(=O)C2(Cc3cccc(F)c3)CCC2)CCS1 ZINC000186203156 337254671 /nfs/dbraw/zinc/25/46/71/337254671.db2.gz MMNKIRVJEXORAR-CYBMUJFWSA-N 0 0 307.434 3.502 10 0 DHAERN CC(C)(C)n1nccc1NC(=O)N[C@H]1CCCc2ccccc21 ZINC000186470097 337256542 /nfs/dbraw/zinc/25/65/42/337256542.db2.gz XBZFIBLYRWLYNG-HNNXBMFYSA-N 0 0 312.417 3.837 10 0 DHAERN Cc1ncsc1/C=C/C(=O)N1CCCC[C@H]1c1nccs1 ZINC000186599282 337257825 /nfs/dbraw/zinc/25/78/25/337257825.db2.gz BJFWVBGRZPDCFV-FYJFLYSWSA-N 0 0 319.455 3.675 10 0 DHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)ccc1Br ZINC000190368000 337287045 /nfs/dbraw/zinc/28/70/45/337287045.db2.gz IFSJDCPJVVFBTP-JQWIXIFHSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000190577486 337288921 /nfs/dbraw/zinc/28/89/21/337288921.db2.gz QXXQTOWLOODVRT-ZYHUDNBSSA-N 0 0 316.228 3.767 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)c2ccc(C3CCC3)cc2)cn1 ZINC000191244812 337295134 /nfs/dbraw/zinc/29/51/34/337295134.db2.gz IHANGDAZDUCSFZ-GOSISDBHSA-N 0 0 309.413 3.665 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1csc(Cl)c1 ZINC000191317421 337295939 /nfs/dbraw/zinc/29/59/39/337295939.db2.gz WTOBZONEUSYHMP-ZJUUUORDSA-N 0 0 310.854 3.741 10 0 DHAERN Cc1noc2ncnc(N[C@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000192490692 337305460 /nfs/dbraw/zinc/30/54/60/337305460.db2.gz YIAWFRVHNDTFGA-LBPRGKRZSA-N 0 0 310.357 3.641 10 0 DHAERN O[C@H](C[C@@H]1c2ncccc2-c2cncn21)C1CCC2(CC2)CC1 ZINC000584590448 337369489 /nfs/dbraw/zinc/36/94/89/337369489.db2.gz OEDPOSRKYMLFOV-NVXWUHKLSA-N 0 0 309.413 3.569 10 0 DHAERN COC(=O)[C@@H]1CCCC[C@@H]1c1nc(C)sc1Br ZINC000584600424 337370682 /nfs/dbraw/zinc/37/06/82/337370682.db2.gz MIQOAIMWYBOCOF-DTWKUNHWSA-N 0 0 318.236 3.661 10 0 DHAERN CCc1cc(C(=O)N2CCC[C@@H](c3ccc(C)cc3)C2)ccn1 ZINC000584605149 337371457 /nfs/dbraw/zinc/37/14/57/337371457.db2.gz YTPLRFHHFXIWLO-GOSISDBHSA-N 0 0 308.425 3.972 10 0 DHAERN CCCCN1OC(CN)=N[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000584614154 337372644 /nfs/dbraw/zinc/37/26/44/337372644.db2.gz VSCMXXFINMZQBT-LJQANCHMSA-N 0 0 309.413 3.757 10 0 DHAERN Oc1ccc2cnn(-c3ccc(F)cc3)c2c1Br ZINC000584617871 337373157 /nfs/dbraw/zinc/37/31/57/337373157.db2.gz OXKOXDUXQBXMDD-UHFFFAOYSA-N 0 0 307.122 3.633 10 0 DHAERN CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1 ZINC000584591625 337373498 /nfs/dbraw/zinc/37/34/98/337373498.db2.gz MYJSVAKLMTYUAK-HSXTZPDUSA-N 0 0 302.458 3.837 10 0 DHAERN COC(=O)c1cc(-c2cc[nH]n2)c(C(F)(F)F)cc1Cl ZINC000584597197 337374376 /nfs/dbraw/zinc/37/43/76/337374376.db2.gz KHTYERQFBRRWOY-UHFFFAOYSA-N 0 0 304.655 3.536 10 0 DHAERN CCOC(=O)C[C@@H](OC)c1cccc(OCc2ccccc2)c1 ZINC000584596980 337374400 /nfs/dbraw/zinc/37/44/00/337374400.db2.gz XCQVTNZZKFIEQF-GOSISDBHSA-N 0 0 314.381 3.906 10 0 DHAERN CCCc1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)[nH]c1CC ZINC000584633028 337377269 /nfs/dbraw/zinc/37/72/69/337377269.db2.gz UVKBYQDVZGTOIE-ZDUSSCGKSA-N 0 0 312.413 3.793 10 0 DHAERN CCC[C@@H](C)NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584633168 337377469 /nfs/dbraw/zinc/37/74/69/337377469.db2.gz YOQFGVLBHCKWKH-LLVKDONJSA-N 0 0 302.349 3.512 10 0 DHAERN COc1ccccc1N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000584655870 337377858 /nfs/dbraw/zinc/37/78/58/337377858.db2.gz ZGHFDMKVHSYKQZ-CQSZACIVSA-N 0 0 320.433 3.897 10 0 DHAERN CCOC(=O)[C@@]1(Cl)C[C@H]1C(=O)c1cccc2ccccc21 ZINC000584660377 337378270 /nfs/dbraw/zinc/37/82/70/337378270.db2.gz ZVWFJRZOKFNXMW-WMLDXEAASA-N 0 0 302.757 3.583 10 0 DHAERN CCOC(=O)C=C(Nc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000584661093 337378303 /nfs/dbraw/zinc/37/83/03/337378303.db2.gz NQVSDLPPAQFUQF-SFQUDFHCSA-N 0 0 315.344 3.850 10 0 DHAERN COc1ccc(Cl)cc1Oc1cc(F)c(C(N)=O)cc1F ZINC000584641783 337380115 /nfs/dbraw/zinc/38/01/15/337380115.db2.gz BZRPQDJDOBFSAZ-UHFFFAOYSA-N 0 0 313.687 3.518 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cc(Cl)c(Cl)[nH]1 ZINC000023693783 337386219 /nfs/dbraw/zinc/38/62/19/337386219.db2.gz RRCANUNDYDIVLG-SNVBAGLBSA-N 0 0 311.168 3.575 10 0 DHAERN CC[C@@H](CC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C)C(C)C ZINC000105851144 337386789 /nfs/dbraw/zinc/38/67/89/337386789.db2.gz KVSBOCJDXFTQKL-JKSUJKDBSA-N 0 0 305.466 3.773 10 0 DHAERN C[C@@H](Cc1cccs1)NC(=O)N[C@H]1CCOc2ccccc21 ZINC000028413462 337388247 /nfs/dbraw/zinc/38/82/47/337388247.db2.gz NAXBHHGGSYJGBS-WFASDCNBSA-N 0 0 316.426 3.502 10 0 DHAERN CCn1nc(C)c([C@@H](C)Nc2cnn(Cc3ccccc3)c2)c1C ZINC000309789595 337388340 /nfs/dbraw/zinc/38/83/40/337388340.db2.gz HIIOITCRYFSMBV-CQSZACIVSA-N 0 0 323.444 3.938 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)sc1C ZINC000109673221 337388377 /nfs/dbraw/zinc/38/83/77/337388377.db2.gz FDJPJVZBIXJZDW-CQSZACIVSA-N 0 0 317.458 3.693 10 0 DHAERN CCc1ccsc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C ZINC000109672891 337388510 /nfs/dbraw/zinc/38/85/10/337388510.db2.gz XQEMXXVWXSBVGB-AWEZNQCLSA-N 0 0 317.458 3.638 10 0 DHAERN C[C@@]1(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1(Cl)Cl ZINC000029278825 337389177 /nfs/dbraw/zinc/38/91/77/337389177.db2.gz CILRDJLOSNFHTB-ZDUSSCGKSA-N 0 0 310.184 3.599 10 0 DHAERN O=C(c1coc(Br)c1)N1CCC[C@H]1c1ccco1 ZINC000116041840 337392225 /nfs/dbraw/zinc/39/22/25/337392225.db2.gz FYHSNWIJXKTCNR-JTQLQIEISA-N 0 0 310.147 3.612 10 0 DHAERN O=C(CCc1cccc(F)c1F)N1CCC[C@H]1c1ccco1 ZINC000116045696 337392272 /nfs/dbraw/zinc/39/22/72/337392272.db2.gz HUXBKNYZUUPGPE-AWEZNQCLSA-N 0 0 305.324 3.854 10 0 DHAERN O=C(CCc1cccs1)N1CCC(c2nccs2)CC1 ZINC000040666015 337398732 /nfs/dbraw/zinc/39/87/32/337398732.db2.gz NMQOAXPKRRGYKI-UHFFFAOYSA-N 0 0 306.456 3.543 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000123536365 337399728 /nfs/dbraw/zinc/39/97/28/337399728.db2.gz AUNZNPMMDZLTIH-CRAIPNDOSA-N 0 0 323.440 3.660 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000124179671 337404048 /nfs/dbraw/zinc/40/40/48/337404048.db2.gz BNZSEUMXGRZWCO-CABCVRRESA-N 0 0 306.475 3.669 10 0 DHAERN CN(C(=O)N[C@H]1CCOc2ccccc21)[C@H]1CCc2ccccc21 ZINC000043165023 337409976 /nfs/dbraw/zinc/40/99/76/337409976.db2.gz XEBAWUFDLLSJEU-ROUUACIJSA-N 0 0 322.408 3.839 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2C)cc1 ZINC000125208921 337409989 /nfs/dbraw/zinc/40/99/89/337409989.db2.gz HUNYTCAFRDJOAE-CYBMUJFWSA-N 0 0 300.406 3.501 10 0 DHAERN CCCCc1nnc(NC(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000043383568 337410946 /nfs/dbraw/zinc/41/09/46/337410946.db2.gz SYRMJMKUVWIORK-SNVBAGLBSA-N 0 0 308.407 3.665 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)O1 ZINC000127398319 337420476 /nfs/dbraw/zinc/42/04/76/337420476.db2.gz YVABVZIWDTVOHV-LPHOPBHVSA-N 0 0 309.409 3.783 10 0 DHAERN COCc1ccc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)o1 ZINC000129209214 337428596 /nfs/dbraw/zinc/42/85/96/337428596.db2.gz PNDHRJHHFFGIGG-CQSZACIVSA-N 0 0 303.358 3.695 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CC[C@H](C)C3)C2)n1 ZINC000132291552 337441893 /nfs/dbraw/zinc/44/18/93/337441893.db2.gz CCPYERAJBSFKOG-AEGPPILISA-N 0 0 306.475 3.984 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cccc(COCc3ccco3)c2)O1 ZINC000132913557 337443723 /nfs/dbraw/zinc/44/37/23/337443723.db2.gz CHCQNDXGYOKAPG-DYVFJYSZSA-N 0 0 315.369 3.502 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(SC)o2)C12CCCC2 ZINC000134126376 337447761 /nfs/dbraw/zinc/44/77/61/337447761.db2.gz IKBBVFSYLOIKOW-KGLIPLIRSA-N 0 0 323.458 3.811 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000056794837 337457337 /nfs/dbraw/zinc/45/73/37/337457337.db2.gz SZQIKOQDVOEZHI-CXAGYDPISA-N 0 0 313.376 3.828 10 0 DHAERN O=C(Nc1ccc(Cl)cc1F)N[C@@H]1COc2ccccc21 ZINC000194717305 337463327 /nfs/dbraw/zinc/46/33/27/337463327.db2.gz GXQVHDIUDIBVCG-CYBMUJFWSA-N 0 0 306.724 3.734 10 0 DHAERN C[C@@H](c1ccccc1F)N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000194696551 337463342 /nfs/dbraw/zinc/46/33/42/337463342.db2.gz OWMYBKNVIOFABZ-LRDDRELGSA-N 0 0 314.360 3.662 10 0 DHAERN CCN(C(=O)[C@@H]1CC[C@@H](C)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000246002456 337501029 /nfs/dbraw/zinc/50/10/29/337501029.db2.gz JYXWNNHGIPMZBN-WWGRRREGSA-N 0 0 301.386 3.910 10 0 DHAERN O=C(c1nccc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067047074 337543276 /nfs/dbraw/zinc/54/32/76/337543276.db2.gz NGFOEOJVASABGJ-AWEZNQCLSA-N 0 0 323.421 3.711 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247231735 337558567 /nfs/dbraw/zinc/55/85/67/337558567.db2.gz XBEJFMVMTIWIGQ-KKBFJZEXSA-N 0 0 311.425 3.985 10 0 DHAERN C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000247452919 337559699 /nfs/dbraw/zinc/55/96/99/337559699.db2.gz JINRXOHITHLLIP-SPUZQDLCSA-N 0 0 315.461 3.509 10 0 DHAERN C[C@H](CN(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1nccs1 ZINC000248471434 337565326 /nfs/dbraw/zinc/56/53/26/337565326.db2.gz VRGMEZKBZSHESE-VHDGCEQUSA-N 0 0 306.475 3.921 10 0 DHAERN C[C@@H](NC(=O)N1C[C@H](C)C[C@H]1c1cccnc1)c1cccs1 ZINC000248598679 337566072 /nfs/dbraw/zinc/56/60/72/337566072.db2.gz ULFDQLZFSGRYDQ-NFAWXSAZSA-N 0 0 315.442 3.997 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000078186833 337592182 /nfs/dbraw/zinc/59/21/82/337592182.db2.gz HWYKGLATIAHUCI-BBRMVZONSA-N 0 0 313.372 3.853 10 0 DHAERN CSc1ccc(C)c(C(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000078717713 337603938 /nfs/dbraw/zinc/60/39/38/337603938.db2.gz AWPPKPSPTCRJHQ-INIZCTEOSA-N 0 0 313.422 3.971 10 0 DHAERN CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263054541 337623770 /nfs/dbraw/zinc/62/37/70/337623770.db2.gz LNZAQGDBOCWNQA-JKSUJKDBSA-N 0 0 307.409 3.942 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H]2CCSC2)cc1 ZINC000162737374 337662709 /nfs/dbraw/zinc/66/27/09/337662709.db2.gz KCGBDACKKLLANV-IKGGRYGDSA-N 0 0 303.471 3.877 10 0 DHAERN CCCOc1ccc([C@H](C)NC(=O)NCC)cc1OCCC ZINC000046438185 337834443 /nfs/dbraw/zinc/83/44/43/337834443.db2.gz OZZVEALTSAKGQP-ZDUSSCGKSA-N 0 0 308.422 3.644 10 0 DHAERN Cc1nc(Cc2noc([C@H](C)c3ccc4ccccc4c3)n2)no1 ZINC000084507648 337845122 /nfs/dbraw/zinc/84/51/22/337845122.db2.gz SWZQRLNTGGMWFN-LLVKDONJSA-N 0 0 320.352 3.657 10 0 DHAERN CCn1nc(C)c(NC(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1C ZINC000089478970 337869870 /nfs/dbraw/zinc/86/98/70/337869870.db2.gz WYCIBHCMLNFXBP-VIFPVBQESA-N 0 0 322.359 3.681 10 0 DHAERN C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)c1cccc2ncccc21 ZINC000089844961 337874534 /nfs/dbraw/zinc/87/45/34/337874534.db2.gz PSTJCMWEWUBAPT-DJJJIMSYSA-N 0 0 318.376 3.762 10 0 DHAERN CC(C)(C)[C@@H](NC(=O)N1CCOC[C@@H]1C1CC1)c1cccs1 ZINC000089890754 337875615 /nfs/dbraw/zinc/87/56/15/337875615.db2.gz DYUIXQANXDEGOZ-HIFRSBDPSA-N 0 0 322.474 3.656 10 0 DHAERN O=C(CSc1ccccc1Cl)N[C@@H]1COc2ccccc21 ZINC000058726943 337878886 /nfs/dbraw/zinc/87/88/86/337878886.db2.gz YWCMXLXOSQHHEB-CYBMUJFWSA-N 0 0 319.813 3.682 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2ccn(CCC(C)C)n2)cc1 ZINC000122285965 337913679 /nfs/dbraw/zinc/91/36/79/337913679.db2.gz SVILAUQYUDOYHO-AWEZNQCLSA-N 0 0 315.417 3.680 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N(C)CCc2nccs2)cc1F ZINC000123148865 337946317 /nfs/dbraw/zinc/94/63/17/337946317.db2.gz IHENXDQHURJWFD-LBPRGKRZSA-N 0 0 321.421 3.536 10 0 DHAERN CCO[C@@H](C)C(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000097699500 337951921 /nfs/dbraw/zinc/95/19/21/337951921.db2.gz KADLNRMSBKXMMJ-SFYZADRCSA-N 0 0 308.180 3.735 10 0 DHAERN CCO[C@@H](C)C(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000097699498 337951994 /nfs/dbraw/zinc/95/19/94/337951994.db2.gz KADLNRMSBKXMMJ-YUMQZZPRSA-N 0 0 308.180 3.735 10 0 DHAERN CCC1(CNC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)CCC1 ZINC000084143748 338000391 /nfs/dbraw/zinc/00/03/91/338000391.db2.gz IFKFFMFTBRUARE-ZDUSSCGKSA-N 0 0 320.433 3.644 10 0 DHAERN Cc1cc(CCCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(C)s1 ZINC000084529005 338003238 /nfs/dbraw/zinc/00/32/38/338003238.db2.gz CUTAFIHCBZXARD-IAGOWNOFSA-N 0 0 321.486 3.858 10 0 DHAERN C[C@H](NC[C@H](O)C(F)(F)F)c1c(Cl)ccc(F)c1Cl ZINC000151229393 338162433 /nfs/dbraw/zinc/16/24/33/338162433.db2.gz NRJQSRMZDDUYGQ-XNCJUZBTSA-N 0 0 320.113 3.706 10 0 DHAERN Cc1cc(Br)c(F)cc1N[C@@H]1CCOC[C@@H]1C ZINC000195120275 338852417 /nfs/dbraw/zinc/85/24/17/338852417.db2.gz GJZUWIOYZCXAIT-JOYOIKCWSA-N 0 0 302.187 3.734 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCCCOC(C)C)o1 ZINC000173322161 340362292 /nfs/dbraw/zinc/36/22/92/340362292.db2.gz KRSAQSCMEGRPLA-INIZCTEOSA-N 0 0 322.449 3.894 10 0 DHAERN CC(C)c1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)n(C)n1 ZINC000173341128 340362917 /nfs/dbraw/zinc/36/29/17/340362917.db2.gz MQELRIHPNVIMDN-JTQLQIEISA-N 0 0 323.799 3.827 10 0 DHAERN CC(C)C1CCN(C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000173375302 340363710 /nfs/dbraw/zinc/36/37/10/340363710.db2.gz CMOIEGMMRGWSKO-MRXNPFEDSA-N 0 0 302.418 3.588 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Nc1cc(F)cc(F)c1 ZINC000174748924 340395588 /nfs/dbraw/zinc/39/55/88/340395588.db2.gz OIJXIFFCOLXPSY-LBPRGKRZSA-N 0 0 320.339 3.692 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCC3(C)CCCC3)C2)n1 ZINC000174811107 340396574 /nfs/dbraw/zinc/39/65/74/340396574.db2.gz LVTMWYQIXAIHGR-CQSZACIVSA-N 0 0 321.490 3.921 10 0 DHAERN C[C@H](CNC(=O)N[C@H](C)c1cccs1)Oc1cccc(F)c1 ZINC000174822245 340396853 /nfs/dbraw/zinc/39/68/53/340396853.db2.gz IRZKQAJPAOCFFX-VXGBXAGGSA-N 0 0 322.405 3.715 10 0 DHAERN CC[C@@H](Oc1ccccc1F)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000175170447 340404420 /nfs/dbraw/zinc/40/44/20/340404420.db2.gz MHLBEJLFOBTXCI-TZMCWYRMSA-N 0 0 305.349 3.762 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000175484835 340414091 /nfs/dbraw/zinc/41/40/91/340414091.db2.gz CNEHNQLKILRPQR-IRXDYDNUSA-N 0 0 320.481 3.582 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N(C[C@H]2CCCO2)C2CCCC2)o1 ZINC000175600843 340415426 /nfs/dbraw/zinc/41/54/26/340415426.db2.gz TZXMNEFPJTVKJF-GOEBONIOSA-N 0 0 320.433 3.782 10 0 DHAERN O=C(C/C=C/c1cccc(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176691333 340430292 /nfs/dbraw/zinc/43/02/92/340430292.db2.gz JBBSKOCBSBOAAD-YXMMZVCTSA-N 0 0 313.376 3.706 10 0 DHAERN CN(C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)C1CCCC1 ZINC000177652281 340442391 /nfs/dbraw/zinc/44/23/91/340442391.db2.gz IWFPMGOJUIHLTQ-OAHLLOKOSA-N 0 0 302.418 3.873 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3nc(C)sc3C)C2)n1 ZINC000178765627 340451899 /nfs/dbraw/zinc/45/18/99/340451899.db2.gz NZZUPVSBFDSREG-LBPRGKRZSA-N 0 0 321.471 3.545 10 0 DHAERN Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H](C)c1cccs1)CO2 ZINC000184795096 340495770 /nfs/dbraw/zinc/49/57/70/340495770.db2.gz JHDBQNLWGTZGGR-JSGCOSHPSA-N 0 0 301.411 3.718 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)N(CCC(F)(F)F)Cc1ccccc1 ZINC000189860999 340540554 /nfs/dbraw/zinc/54/05/54/340540554.db2.gz ALXMSYSGVWHJJB-WCQYABFASA-N 0 0 300.324 3.559 10 0 DHAERN COc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)c(OC(C)C)c1 ZINC000190121586 340542926 /nfs/dbraw/zinc/54/29/26/340542926.db2.gz ZRSHDAJUMQJKBQ-ZDUSSCGKSA-N 0 0 317.385 3.875 10 0 DHAERN C[C@@H](NC(=O)N1CCSCC[C@H]1C)c1ccc(Cl)s1 ZINC000191014427 340549206 /nfs/dbraw/zinc/54/92/06/340549206.db2.gz JRNOVGQMIBHUTR-NXEZZACHSA-N 0 0 318.895 4.000 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000191783399 340558870 /nfs/dbraw/zinc/55/88/70/340558870.db2.gz JWYOWRBVQFUPQT-NOZJJQNGSA-N 0 0 302.201 3.771 10 0 DHAERN Cc1cc(COCC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)on1 ZINC000193268016 340575305 /nfs/dbraw/zinc/57/53/05/340575305.db2.gz WBLBCIIGAJJEIJ-AWEZNQCLSA-N 0 0 316.401 3.500 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021727 340588096 /nfs/dbraw/zinc/58/80/96/340588096.db2.gz RAYSWJCINNFMJJ-LSDHHAIUSA-N 0 0 312.413 3.607 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1cc(Br)cs1 ZINC000230055835 340617860 /nfs/dbraw/zinc/61/78/60/340617860.db2.gz WUPUZIIVODHQFV-LDYMZIIASA-N 0 0 302.237 3.563 10 0 DHAERN O=C(c1ccc(Cl)c(Cl)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000041117073 340709479 /nfs/dbraw/zinc/70/94/79/340709479.db2.gz VNUYKMYLIREEMT-ZIAGYGMSSA-N 0 0 314.212 3.777 10 0 DHAERN CC(=O)c1cccc(NC(=O)N[C@H]2CCOc3ccccc32)c1 ZINC000043237978 340709841 /nfs/dbraw/zinc/70/98/41/340709841.db2.gz KUYSRAHAQWSEKI-INIZCTEOSA-N 0 0 310.353 3.535 10 0 DHAERN Cc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1 ZINC000128268621 340864070 /nfs/dbraw/zinc/86/40/70/340864070.db2.gz IAWBSRQGUBVZEY-MRXNPFEDSA-N 0 0 321.342 3.827 10 0 DHAERN CCC1CCC(NC(=O)[C@@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000130072112 340996344 /nfs/dbraw/zinc/99/63/44/340996344.db2.gz AAGAOOTVRXOGCA-HPUBIQBYSA-N 0 0 317.429 3.742 10 0 DHAERN O=C(CC(c1ccccc1)c1ccccc1)N[C@@H]1CCCC[C@@H]1O ZINC000130369748 341020035 /nfs/dbraw/zinc/02/00/35/341020035.db2.gz OMIVBSLAYBLMPW-UXHICEINSA-N 0 0 323.436 3.628 10 0 DHAERN CCCC[C@H](CCC)CNC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000130801882 341045740 /nfs/dbraw/zinc/04/57/40/341045740.db2.gz BCIHYFKIBUMWGU-HNNXBMFYSA-N 0 0 320.481 3.905 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000130928013 341054190 /nfs/dbraw/zinc/05/41/90/341054190.db2.gz JVHZOTWPVXPKSC-TXEJJXNPSA-N 0 0 319.401 3.804 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H](c2ccccc2)N(C)C)cc1F ZINC000131008745 341056237 /nfs/dbraw/zinc/05/62/37/341056237.db2.gz WGWLFBWFXWLKCP-KSSFIOAISA-N 0 0 314.404 3.614 10 0 DHAERN CC(=O)N[C@H]1CCCN([C@H](C)c2cc(Cl)ccc2Cl)C1 ZINC000132482952 341124306 /nfs/dbraw/zinc/12/43/06/341124306.db2.gz KOIJMYIVJIYLKW-MFKMUULPSA-N 0 0 315.244 3.655 10 0 DHAERN C[C@H]1CC[C@H](CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000133327700 341172933 /nfs/dbraw/zinc/17/29/33/341172933.db2.gz XCLSIYZGLXEMOW-STQMWFEESA-N 0 0 317.433 3.659 10 0 DHAERN CC(C)c1nc(C2(NC(=O)C[C@@H]3CC[C@@H](C)C3)CCCC2)no1 ZINC000133348599 341173461 /nfs/dbraw/zinc/17/34/61/341173461.db2.gz WCLGJCKKXPEJQQ-ZIAGYGMSSA-N 0 0 319.449 3.905 10 0 DHAERN COc1ccc(CNC(=O)N[C@@H](C)c2ccccc2C)cc1F ZINC000075580680 341178776 /nfs/dbraw/zinc/17/87/76/341178776.db2.gz HHDZEHXODVKXAR-ZDUSSCGKSA-N 0 0 316.376 3.703 10 0 DHAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000135324064 341236773 /nfs/dbraw/zinc/23/67/73/341236773.db2.gz ASXHWGROCGRZNF-PWSUYJOCSA-N 0 0 303.299 3.985 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)CCc1cc(Cl)ccc1Br ZINC000079540893 341260988 /nfs/dbraw/zinc/26/09/88/341260988.db2.gz AGBUQFODBWXVHY-PELKAZGASA-N 0 0 316.626 3.560 10 0 DHAERN CC[C@H](C)[C@@H](C)N(C(=O)N[C@H]1COc2ccccc21)C1CC1 ZINC000245435659 341293889 /nfs/dbraw/zinc/29/38/89/341293889.db2.gz SYRXGDHHWDZLOL-ZENOOKHLSA-N 0 0 302.418 3.729 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245447514 341294584 /nfs/dbraw/zinc/29/45/84/341294584.db2.gz MDMHHNJHJNMPGO-QEJZJMRPSA-N 0 0 307.384 3.963 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)[C@H]2CCSC2)c2ccccc21 ZINC000245632887 341306490 /nfs/dbraw/zinc/30/64/90/341306490.db2.gz FQPZNIDWIDFAME-DVOMOZLQSA-N 0 0 304.459 3.772 10 0 DHAERN CC1(C)C[C@H](NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C(C)(C)O1 ZINC000246088311 341325129 /nfs/dbraw/zinc/32/51/29/341325129.db2.gz IXBRZXWHPLAYQW-HUBLWGQQSA-N 0 0 323.383 3.531 10 0 DHAERN Cc1ccc(-c2noc([C@H](C)N3CCS[C@@H](C)C3)n2)cc1F ZINC000246144169 341329225 /nfs/dbraw/zinc/32/92/25/341329225.db2.gz OIXIEVWFTROKCB-RYUDHWBXSA-N 0 0 321.421 3.682 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246173693 341331515 /nfs/dbraw/zinc/33/15/15/341331515.db2.gz JNYCJCYGJQDGGU-ZTFGCOKTSA-N 0 0 319.420 3.564 10 0 DHAERN CC(C)[C@H](C(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000246239108 341337167 /nfs/dbraw/zinc/33/71/67/341337167.db2.gz UKWLDOPIJURLLI-SQNIBIBYSA-N 0 0 301.430 3.596 10 0 DHAERN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C[C@@H](O)C(C)C)cc1 ZINC000246240927 341337239 /nfs/dbraw/zinc/33/72/39/341337239.db2.gz HTWXFUNYKJBVEJ-WDYCEAGBSA-N 0 0 303.446 3.702 10 0 DHAERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000246686124 341355496 /nfs/dbraw/zinc/35/54/96/341355496.db2.gz RARGVWTXSPJXIR-XJFOESAGSA-N 0 0 318.383 3.939 10 0 DHAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000246848384 341357810 /nfs/dbraw/zinc/35/78/10/341357810.db2.gz ZNQLXPWOAWVBLJ-IYOUNJFTSA-N 0 0 314.429 3.607 10 0 DHAERN CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)C1 ZINC000247086543 341360880 /nfs/dbraw/zinc/36/08/80/341360880.db2.gz UBWKSMJXKQRLQL-FGTMMUONSA-N 0 0 301.430 3.551 10 0 DHAERN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000247149206 341361584 /nfs/dbraw/zinc/36/15/84/341361584.db2.gz YHXJBYKCMSUHPS-BZPMIXESSA-N 0 0 321.383 3.962 10 0 DHAERN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1ncc(C(C)C)s1 ZINC000248500342 341378901 /nfs/dbraw/zinc/37/89/01/341378901.db2.gz SOHKILYSGFWELB-MCIONIFRSA-N 0 0 322.474 3.573 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2CO)CC(C)(C)C1 ZINC000248535942 341379387 /nfs/dbraw/zinc/37/93/87/341379387.db2.gz KRPCRCXWCVFVLG-QGPMSJSTSA-N 0 0 315.457 3.567 10 0 DHAERN CCO[C@@H]1C[C@@H](Nc2cccc([C@H](C)OC)c2)C12CCOCC2 ZINC000248991899 341391426 /nfs/dbraw/zinc/39/14/26/341391426.db2.gz LDZTVYCIXSYQAA-BMGDILEWSA-N 0 0 319.445 3.780 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC000249053509 341392723 /nfs/dbraw/zinc/39/27/23/341392723.db2.gz ONQLBHOGGQMCNC-UTUOFQBUSA-N 0 0 324.412 3.645 10 0 DHAERN CC(C)[C@@H](SC[C@H]1CCCO1)C(=O)N[C@@H](C)c1ccccc1 ZINC000249080190 341393273 /nfs/dbraw/zinc/39/32/73/341393273.db2.gz ROAOMCJJGIZQNC-USXIJHARSA-N 0 0 321.486 3.801 10 0 DHAERN C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H]1C ZINC000249298694 341396232 /nfs/dbraw/zinc/39/62/32/341396232.db2.gz FGOUOXLAWQWOJW-LPWJVIDDSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000249518479 341398740 /nfs/dbraw/zinc/39/87/40/341398740.db2.gz IOLYTMXZRGFMGX-RCBQFDQVSA-N 0 0 322.836 3.754 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000250572774 341405361 /nfs/dbraw/zinc/40/53/61/341405361.db2.gz YEGSADVYLGGPNA-ARFHVFGLSA-N 0 0 313.784 3.693 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C(C)(C)C ZINC000251256179 341414297 /nfs/dbraw/zinc/41/42/97/341414297.db2.gz YCVRFVVWJODYHT-VBNZEHGJSA-N 0 0 307.409 3.844 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2cnc(C(F)(F)F)nc2)cc1 ZINC000153735834 341578083 /nfs/dbraw/zinc/57/80/83/341578083.db2.gz IFUBKDFMXGGUAX-JTQLQIEISA-N 0 0 323.318 3.549 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)n(-c2ccccn2)n1 ZINC000154931404 341598457 /nfs/dbraw/zinc/59/84/57/341598457.db2.gz XMXVPFPYUAGUBH-HZPDHXFCSA-N 0 0 324.428 3.731 10 0 DHAERN Cc1cnc(CNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)s1 ZINC000158325846 341654996 /nfs/dbraw/zinc/65/49/96/341654996.db2.gz XUHHEUJUAWMQIY-IAQYHMDHSA-N 0 0 315.442 3.889 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 ZINC000171459889 341778191 /nfs/dbraw/zinc/77/81/91/341778191.db2.gz PMUBHRMTJLRJQX-NSHDSACASA-N 0 0 311.809 3.882 10 0 DHAERN CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCS[C@H](C)C2)c1 ZINC000171735643 341783919 /nfs/dbraw/zinc/78/39/19/341783919.db2.gz JNDDDQLWDFAHNS-ZIAGYGMSSA-N 0 0 322.474 3.682 10 0 DHAERN CCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000172244421 341795473 /nfs/dbraw/zinc/79/54/73/341795473.db2.gz HWMSTFMSURILCT-MRXNPFEDSA-N 0 0 323.396 3.555 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2ccc3ccn(C)c3c2)cc1 ZINC000172606273 341801719 /nfs/dbraw/zinc/80/17/19/341801719.db2.gz KPGOTBDLKSZUPP-CYBMUJFWSA-N 0 0 308.381 3.929 10 0 DHAERN CCn1cc(C2CCN(C(=O)Nc3ccc(C)s3)CC2)cn1 ZINC000175862609 341849218 /nfs/dbraw/zinc/84/92/18/341849218.db2.gz LFFNODHNWTZHNR-UHFFFAOYSA-N 0 0 318.446 3.684 10 0 DHAERN C[C@@H](NC(=O)CC[C@@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000176660221 518177756 /nfs/dbraw/zinc/17/77/56/518177756.db2.gz KNEXVIOFSQFOMM-HUUCEWRRSA-N 0 0 303.446 3.978 10 0 DHAERN CC(C)(C)n1cc(CN2CCCC[C@H]2c2nccs2)cn1 ZINC000127738254 519154242 /nfs/dbraw/zinc/15/42/42/519154242.db2.gz HERGYGOWJIQHDO-AWEZNQCLSA-N 0 0 304.463 3.822 10 0 DHAERN CC(=O)Nc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1 ZINC000127665096 519715992 /nfs/dbraw/zinc/71/59/92/519715992.db2.gz AYOKHSHRLKCWJC-MRXNPFEDSA-N 0 0 315.442 3.829 10 0 DHAERN CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cccs2)c1C ZINC000188160432 519737772 /nfs/dbraw/zinc/73/77/72/519737772.db2.gz XTJJKHDIAMADPT-LLVKDONJSA-N 0 0 302.399 3.506 10 0 DHAERN CC(=O)Nc1ccccc1CN1CCCC[C@H]1c1nccs1 ZINC000127724087 519750789 /nfs/dbraw/zinc/75/07/89/519750789.db2.gz WVTSWZSBDJCPBQ-INIZCTEOSA-N 0 0 315.442 3.829 10 0 DHAERN CC(C)c1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000151859936 519837543 /nfs/dbraw/zinc/83/75/43/519837543.db2.gz AEZWDFHXJYTCDR-QFBILLFUSA-N 0 0 316.445 3.969 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1nc3ccccc3o1)C2 ZINC000181103203 519868840 /nfs/dbraw/zinc/86/88/40/519868840.db2.gz VHAGFQSDXFKSOL-CYBMUJFWSA-N 0 0 324.428 3.804 10 0 DHAERN CC(C)n1nnnc1CSc1c(Cl)cccc1Cl ZINC000107077285 520146646 /nfs/dbraw/zinc/14/66/46/520146646.db2.gz DSARTEUZSNRCCW-UHFFFAOYSA-N 0 0 303.218 3.853 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173297393 520276096 /nfs/dbraw/zinc/27/60/96/520276096.db2.gz JSHKVWUGDWECEH-ZIAGYGMSSA-N 0 0 310.463 3.650 10 0 DHAERN CC1(C)CCC(=CC(=O)N2CCO[C@H](c3nccs3)C2)CC1 ZINC000130270890 520289599 /nfs/dbraw/zinc/28/95/99/520289599.db2.gz CDQQQDZZBQYQFE-AWEZNQCLSA-N 0 0 320.458 3.570 10 0 DHAERN CCC[C@@H](NC(=O)C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000179900579 520729152 /nfs/dbraw/zinc/72/91/52/520729152.db2.gz JQASQPZCQAAJFJ-OFLPRAFFSA-N 0 0 317.429 3.623 10 0 DHAERN CCC[C@H](NC(=O)[C@@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000103392817 521134704 /nfs/dbraw/zinc/13/47/04/521134704.db2.gz SNYLZGNHMZGJLG-FZMZJTMJSA-N 0 0 317.351 3.945 10 0 DHAERN CCOc1ccccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180602963 521539140 /nfs/dbraw/zinc/53/91/40/521539140.db2.gz CVTDMSWUYJUJSJ-HNNXBMFYSA-N 0 0 314.389 3.568 10 0 DHAERN CCCc1ncc(C(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000173511768 521545889 /nfs/dbraw/zinc/54/58/89/521545889.db2.gz PRGYAPQVEMFBPI-NSHDSACASA-N 0 0 321.471 3.920 10 0 DHAERN CCOCCC1(CNC(=O)N2CCC[C@@H]2c2ccco2)CCC1 ZINC000156230597 521684410 /nfs/dbraw/zinc/68/44/10/521684410.db2.gz LSXKJZUZXGOWMS-OAHLLOKOSA-N 0 0 320.433 3.723 10 0 DHAERN CC[C@H](C)OCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000156153555 521747901 /nfs/dbraw/zinc/74/79/01/521747901.db2.gz WQUKPJWBGFEXOV-KBPBESRZSA-N 0 0 324.490 3.788 10 0 DHAERN CCSc1ccc(Cl)cc1NCc1nnnn1C(C)C ZINC000105397538 521749105 /nfs/dbraw/zinc/74/91/05/521749105.db2.gz MBCNQQSSCBEGQS-UHFFFAOYSA-N 0 0 311.842 3.632 10 0 DHAERN CC[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000157420165 521859490 /nfs/dbraw/zinc/85/94/90/521859490.db2.gz YIKJGFXFOMLSNC-NVXWUHKLSA-N 0 0 313.372 3.959 10 0 DHAERN CCc1cnc(CN(C)C(=O)N[C@@H](C)c2cccs2)s1 ZINC000177335348 522015014 /nfs/dbraw/zinc/01/50/14/522015014.db2.gz KEKXTYRQSOXOLV-JTQLQIEISA-N 0 0 309.460 3.670 10 0 DHAERN COCCc1ccccc1NC(=O)N[C@H](C)c1cccs1 ZINC000189545806 522023876 /nfs/dbraw/zinc/02/38/76/522023876.db2.gz CCCVCWCYODPWIW-GFCCVEGCSA-N 0 0 304.415 3.820 10 0 DHAERN COc1cc(CCNC(=O)N[C@@H](C)c2ccc(C)o2)ccc1C ZINC000154548384 522332344 /nfs/dbraw/zinc/33/23/44/522332344.db2.gz VACSQNQGQDKVMX-AWEZNQCLSA-N 0 0 316.401 3.508 10 0 DHAERN COc1cc(F)c(NC(=O)N[C@H](C)c2ccc(C)o2)cc1F ZINC000155805148 522578076 /nfs/dbraw/zinc/57/80/76/522578076.db2.gz AETFRKVDTGWOGK-SECBINFHSA-N 0 0 310.300 3.758 10 0 DHAERN CC[C@H](Nc1ccc(-n2ccnc2)c(Cl)c1)c1nccn1C ZINC000183031639 522765272 /nfs/dbraw/zinc/76/52/72/522765272.db2.gz ODFSRSGNOKLGIH-AWEZNQCLSA-N 0 0 315.808 3.822 10 0 DHAERN COc1cc([C@@H](C)Nc2ccccc2C)ccc1S(C)(=O)=O ZINC000182532451 522910123 /nfs/dbraw/zinc/91/01/23/522910123.db2.gz QBVOSOBJDRLKSB-CYBMUJFWSA-N 0 0 319.426 3.580 10 0 DHAERN COCCC1(CNC(=O)N[C@@H](C)c2ccc(C)o2)CCCC1 ZINC000156025395 523044538 /nfs/dbraw/zinc/04/45/38/523044538.db2.gz RGAVOBHAINGCKX-AWEZNQCLSA-N 0 0 308.422 3.545 10 0 DHAERN CCc1sc([C@@H](C)Nc2ncccc2C(=O)NC)cc1C ZINC000157774044 523077991 /nfs/dbraw/zinc/07/79/91/523077991.db2.gz FHPDZKLISGZCNB-LLVKDONJSA-N 0 0 303.431 3.547 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000154622944 523156151 /nfs/dbraw/zinc/15/61/51/523156151.db2.gz XCWZCHBUSICTGG-IBGZPJMESA-N 0 0 324.403 3.625 10 0 DHAERN COCc1noc([C@H](C)N[C@@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007296 523274672 /nfs/dbraw/zinc/27/46/72/523274672.db2.gz DTVWAWUGIYGZMP-KBPBESRZSA-N 0 0 317.433 3.826 10 0 DHAERN CO[C@@H](C(=O)N[C@H]1CCCc2cc(F)ccc21)c1ccccc1 ZINC000157687406 523330032 /nfs/dbraw/zinc/33/00/32/523330032.db2.gz ALDXYRBDJVQQMZ-ZWKOTPCHSA-N 0 0 313.372 3.707 10 0 DHAERN CCn1cc([C@H]2CN([C@@H](C)c3ccccc3Cl)CCO2)cn1 ZINC000190744691 523483200 /nfs/dbraw/zinc/48/32/00/523483200.db2.gz YSAPMWDGTYNSAJ-SUMWQHHRSA-N 0 0 319.836 3.691 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405510 523488379 /nfs/dbraw/zinc/48/83/79/523488379.db2.gz IWFVNPBKROLQAE-KGLIPLIRSA-N 0 0 317.433 3.826 10 0 DHAERN COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(C)o2)cc1 ZINC000127617499 523890601 /nfs/dbraw/zinc/89/06/01/523890601.db2.gz JBODLYCIWSZERH-QGZVFWFLSA-N 0 0 313.397 3.893 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NC[C@H]2CCCOC2)o1 ZINC000173488247 524035232 /nfs/dbraw/zinc/03/52/32/524035232.db2.gz HDXHPRGKFLVVQM-ZBFHGGJFSA-N 0 0 320.433 3.505 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2c(C)noc2C)o1 ZINC000128308167 524035298 /nfs/dbraw/zinc/03/52/98/524035298.db2.gz ZRGNZNQHHDKVMC-AWEZNQCLSA-N 0 0 302.374 3.814 10 0 DHAERN CCc1ccc([C@H](C)NCc2nnc(C3CC3)n2C2CC2)cc1 ZINC000181617405 524046820 /nfs/dbraw/zinc/04/68/20/524046820.db2.gz SLBXJPGUIRFWPA-ZDUSSCGKSA-N 0 0 310.445 3.904 10 0 DHAERN C[C@H](CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000132410027 524118118 /nfs/dbraw/zinc/11/81/18/524118118.db2.gz ZJAOBGJCWHHHBV-YVWKXTFCSA-N 0 0 315.457 3.724 10 0 DHAERN C[C@H](CCC(C)(C)C)NC(=O)[C@H](C)NC(=O)Nc1ccccc1 ZINC000119900145 524127609 /nfs/dbraw/zinc/12/76/09/524127609.db2.gz HITPRRVRHKEAHH-KGLIPLIRSA-N 0 0 319.449 3.528 10 0 DHAERN Cc1cc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)no1 ZINC000127780225 524683715 /nfs/dbraw/zinc/68/37/15/524683715.db2.gz PGIITPPMSNTWDG-CYBMUJFWSA-N 0 0 305.447 3.943 10 0 DHAERN C[C@H]1COCC[C@@H]1Nc1ccc(OC(F)F)c2ncccc12 ZINC000195107222 524728135 /nfs/dbraw/zinc/72/81/35/524728135.db2.gz OXEJIDONTCGWAW-JQWIXIFHSA-N 0 0 308.328 3.673 10 0 DHAERN Cc1cc(Cl)ncc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183249909 524918362 /nfs/dbraw/zinc/91/83/62/524918362.db2.gz VRLNEDPFEOTXKL-CYBMUJFWSA-N 0 0 319.796 3.526 10 0 DHAERN C[C@H](NC(=O)C[C@H](O)c1ccc(Cl)cc1)c1cccs1 ZINC000179611659 524982577 /nfs/dbraw/zinc/98/25/77/524982577.db2.gz IYLXTOLFWHGRIN-GWCFXTLKSA-N 0 0 309.818 3.702 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000190097271 525015761 /nfs/dbraw/zinc/01/57/61/525015761.db2.gz HCIIBUIZZJUOMT-PSASIEDQSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000191674177 525016559 /nfs/dbraw/zinc/01/65/59/525016559.db2.gz QNYVMUHVKQJWHK-MGPQQGTHSA-N 0 0 305.443 3.719 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000188506327 525016986 /nfs/dbraw/zinc/01/69/86/525016986.db2.gz FRZJMCMRVXPRHS-CZUORRHYSA-N 0 0 319.426 3.685 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)C1CCOCC1)c1cccc(Cl)c1 ZINC000134597895 525086029 /nfs/dbraw/zinc/08/60/29/525086029.db2.gz KMNGTKLFFBMNDV-RYUDHWBXSA-N 0 0 310.825 3.515 10 0 DHAERN C[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CC2)c1cccs1 ZINC000173762343 525113172 /nfs/dbraw/zinc/11/31/72/525113172.db2.gz MPJKVGSYPSVQDD-JTQLQIEISA-N 0 0 315.398 3.516 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cccc(Cl)c1Cl ZINC000155401860 525146107 /nfs/dbraw/zinc/14/61/07/525146107.db2.gz IALNYVFHHFKXHS-PTRXPTGYSA-N 0 0 302.201 3.738 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1cccnc1)c1ccc(F)c(Cl)c1 ZINC000109358248 525151626 /nfs/dbraw/zinc/15/16/26/525151626.db2.gz LIYLYTMLDYAZBW-LLVKDONJSA-N 0 0 321.783 3.777 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@H](C)c1nccs1 ZINC000184292151 525410026 /nfs/dbraw/zinc/41/00/26/525410026.db2.gz FEUFYJREDOMVKB-OLZOCXBDSA-N 0 0 303.431 3.615 10 0 DHAERN C[C@H](NCc1nnc(C2CC2)n1C1CC1)c1ccc(F)c(F)c1 ZINC000181617961 525495193 /nfs/dbraw/zinc/49/51/93/525495193.db2.gz PNSNUTVYZVGGSS-JTQLQIEISA-N 0 0 318.371 3.619 10 0 DHAERN Cc1c(Br)cccc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000191049664 525529880 /nfs/dbraw/zinc/52/98/80/525529880.db2.gz TXGGKGLITGVMEF-MNOVXSKESA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000191488783 525557404 /nfs/dbraw/zinc/55/74/04/525557404.db2.gz ZJIODRSWBOSEEH-UWVGGRQHSA-N 0 0 308.428 3.625 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000191466055 525558118 /nfs/dbraw/zinc/55/81/18/525558118.db2.gz WHMAJDMPELKWAI-JSGCOSHPSA-N 0 0 322.836 3.694 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000191142982 525560028 /nfs/dbraw/zinc/56/00/28/525560028.db2.gz NGYAHWNRPIWTNS-SMDDNHRTSA-N 0 0 323.483 3.919 10 0 DHAERN C[C@@H](Nc1nc(-c2cccnc2)nc2ccccc21)[C@@H]1CCCO1 ZINC000248238987 525725596 /nfs/dbraw/zinc/72/55/96/525725596.db2.gz GAFLPXXVZOQTEK-DYVFJYSZSA-N 0 0 320.396 3.671 10 0 DHAERN COc1cccc(-c2noc(-c3cnn(CC(C)C)c3C)n2)c1 ZINC000158381363 525736337 /nfs/dbraw/zinc/73/63/37/525736337.db2.gz USQAQAHQZYUBIY-UHFFFAOYSA-N 0 0 312.373 3.573 10 0 DHAERN CS[C@@H](C)CC(=O)N[C@H](C)c1ccccc1Br ZINC000155684999 525792478 /nfs/dbraw/zinc/79/24/78/525792478.db2.gz DMOOKGMWPSUOGA-VHSXEESVSA-N 0 0 316.264 3.768 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CSC(F)(F)F)o1 ZINC000127662506 525797194 /nfs/dbraw/zinc/79/71/94/525797194.db2.gz KQGVDCIFDITTMZ-JTQLQIEISA-N 0 0 307.337 3.895 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)Cc2cn3ccccc3n2)o1 ZINC000127667528 525799693 /nfs/dbraw/zinc/79/96/93/525799693.db2.gz SQCBDHMJJHYTNT-INIZCTEOSA-N 0 0 323.396 3.532 10 0 DHAERN Cc1c([C@H](C)Nc2ccc3c(c2)OCO3)cnn1C(C)(C)C ZINC000191418629 525925929 /nfs/dbraw/zinc/92/59/29/525925929.db2.gz NPPOGDHBNOXMST-NSHDSACASA-N 0 0 301.390 3.848 10 0 DHAERN C[C@H](C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000183388674 525972194 /nfs/dbraw/zinc/97/21/94/525972194.db2.gz RNWFMMYJZHEGDC-DBVUQKKJSA-N 0 0 323.436 3.905 10 0 DHAERN Cc1cnn([C@H]2CCCN([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219925 526268489 /nfs/dbraw/zinc/26/84/89/526268489.db2.gz CDESJZLXSCMZSM-ZFWWWQNUSA-N 0 0 305.372 3.868 10 0 DHAERN Cc1csc([C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C)o2)n1 ZINC000183001191 526403312 /nfs/dbraw/zinc/40/33/12/526403312.db2.gz LXOMREJACHKGMO-CABZTGNLSA-N 0 0 307.419 3.517 10 0 DHAERN O=C(NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccon1 ZINC000156692406 526558091 /nfs/dbraw/zinc/55/80/91/526558091.db2.gz HOULSNUBRJYPQW-KWQFWETISA-N 0 0 311.168 3.515 10 0 DHAERN O=C(NCc1nc(C2CC2)cs1)N1CCC[C@@H]1c1ccco1 ZINC000156874530 526818847 /nfs/dbraw/zinc/81/88/47/526818847.db2.gz IRBDPMYWXURMCZ-CYBMUJFWSA-N 0 0 317.414 3.660 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)c1C ZINC000180369067 526903463 /nfs/dbraw/zinc/90/34/63/526903463.db2.gz SXIMAGMIWWOVHZ-DZGCQCFKSA-N 0 0 319.426 3.686 10 0 DHAERN O=C(N[C@@H]1CCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000188338819 526916029 /nfs/dbraw/zinc/91/60/29/526916029.db2.gz YWXVBPLTBGFQDO-CQSZACIVSA-N 0 0 320.314 3.908 10 0 DHAERN O=C(N[C@H](CCCO)c1ccccc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000132581789 526991921 /nfs/dbraw/zinc/99/19/21/526991921.db2.gz PPDMNYHBIZNYIM-GUDVDZBRSA-N 0 0 315.457 3.833 10 0 DHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)C(C1CC1)C1CC1 ZINC000127752972 527001941 /nfs/dbraw/zinc/00/19/41/527001941.db2.gz MYGFQMJVMFKBGL-CQSZACIVSA-N 0 0 311.347 3.712 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000127340885 527017456 /nfs/dbraw/zinc/01/74/56/527017456.db2.gz MFPOKICVQKFIPQ-DOTOQJQBSA-N 0 0 315.413 3.508 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2c(c1)CCN2 ZINC000237782423 527032339 /nfs/dbraw/zinc/03/23/39/527032339.db2.gz LRIVCYIJPLYWRT-OLZOCXBDSA-N 0 0 312.335 3.506 10 0 DHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(C)nc2C)cs1 ZINC000189112961 527048455 /nfs/dbraw/zinc/04/84/55/527048455.db2.gz UYIQDTPLHQBGDM-HNNXBMFYSA-N 0 0 316.430 3.832 10 0 DHAERN Cn1c(CN[C@@H](CC2CCC2)c2ccccc2)nnc1C1CC1 ZINC000181356935 527061810 /nfs/dbraw/zinc/06/18/10/527061810.db2.gz WIOGMRBVDRNUBR-KRWDZBQOSA-N 0 0 310.445 3.714 10 0 DHAERN Cn1c(CSCc2cccc(Cl)c2F)nnc1C1CC1 ZINC000188735796 527066883 /nfs/dbraw/zinc/06/68/83/527066883.db2.gz ZHMPKADIQGVPJG-UHFFFAOYSA-N 0 0 311.813 3.918 10 0 DHAERN O=C(Nc1c[nH]nc1-c1ccccn1)[C@H]1C[C@H]1C1CCCCC1 ZINC000156592041 527097665 /nfs/dbraw/zinc/09/76/65/527097665.db2.gz WSHZCZCFCZAEJP-KBPBESRZSA-N 0 0 310.401 3.627 10 0 DHAERN Cc1ncccc1C(=O)N[C@H](C)c1ccccc1Br ZINC000108152442 527356981 /nfs/dbraw/zinc/35/69/81/527356981.db2.gz ZWRNKZODQSWGIH-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(Cl)c1 ZINC000159352549 527506922 /nfs/dbraw/zinc/50/69/22/527506922.db2.gz LENQDCWBCOPWRY-INIZCTEOSA-N 0 0 300.789 3.730 10 0 DHAERN O=C(C(C1CC1)C1CC1)N1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000132285864 527667210 /nfs/dbraw/zinc/66/72/10/527667210.db2.gz HXJYWZFQNIUIJE-ROUUACIJSA-N 0 0 313.441 3.537 10 0 DHAERN CCC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)[C@H](C)O2 ZINC000019959603 535343599 /nfs/dbraw/zinc/34/35/99/535343599.db2.gz DBAXFAMOJYNIMG-ZDUSSCGKSA-N 0 0 309.365 3.593 10 0 DHAERN CCN1C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)C[C@H]1C ZINC000061213402 535435767 /nfs/dbraw/zinc/43/57/67/535435767.db2.gz SBDYZIXIRZLCAU-MRVPVSSYSA-N 0 0 301.173 3.561 10 0 DHAERN Cc1ccoc1C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 ZINC000328631039 563781523 /nfs/dbraw/zinc/78/15/23/563781523.db2.gz QMHIVPZXIYPWBP-GFCCVEGCSA-N 0 0 304.415 3.545 10 0 DHAERN COc1cc([C@@H]2[C@H](C)C=C[C@@H]3CCCC[C@H]32)oc(=O)c1C=O ZINC000006030607 560204556 /nfs/dbraw/zinc/20/45/56/560204556.db2.gz AWQLNKJBXASXDU-IPJQOSJUSA-N 0 0 302.370 3.557 10 0 in-vitro DHAERN Cc1nn(C(=O)Nc2ccccc2)cc1-c1ccc2c(c1)OCO2 ZINC000036047519 563454508 /nfs/dbraw/zinc/45/45/08/563454508.db2.gz ORZDFKXBPGUGRO-UHFFFAOYSA-N 0 0 321.336 3.667 10 0 DHAERN CCOc1ccccc1/C=C1\S[C@@H]2Nc3ccccc3N2C1=O ZINC000048512999 563467027 /nfs/dbraw/zinc/46/70/27/563467027.db2.gz HVOFULOHHIAOQG-MUMAZLPKSA-N 0 0 324.405 3.915 10 0 DHAERN CC(F)(F)c1[nH]nc(N)c1-c1cccc(Br)c1 ZINC000306034215 563468376 /nfs/dbraw/zinc/46/83/76/563468376.db2.gz QNIGEHJODMXXLX-UHFFFAOYSA-N 0 0 302.122 3.533 10 0 DHAERN Cc1cc(OCc2nc3c4ccccc4ncn3n2)ccc1Cl ZINC000033327085 563521982 /nfs/dbraw/zinc/52/19/82/563521982.db2.gz VUUVARWFRYXMRZ-UHFFFAOYSA-N 0 0 324.771 3.818 10 0 DHAERN CCc1c(C)cc2nc(CCC(C)C)nn2c1Br ZINC000725247967 563526943 /nfs/dbraw/zinc/52/69/43/563526943.db2.gz FOXBYACLCUINMZ-UHFFFAOYSA-N 0 0 310.239 3.951 10 0 DHAERN C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3C=C[C@]21CC ZINC000001482076 563854670 /nfs/dbraw/zinc/85/46/70/563854670.db2.gz BJJXHLWLUDYTGC-BQJUDKOJSA-N 0 0 308.421 3.723 10 0 DHAERN O=C(CSc1nc2ccccc2c(=O)s1)c1ccccc1 ZINC000000396030 563865766 /nfs/dbraw/zinc/86/57/66/563865766.db2.gz JDEVUPGKDFNLDB-UHFFFAOYSA-N 0 0 313.403 3.632 10 0 DHAERN CCc1[nH]nc(I)c1-c1ccc(C)cc1 ZINC000675076823 563911016 /nfs/dbraw/zinc/91/10/16/563911016.db2.gz RQTHDPMYIUDBMN-UHFFFAOYSA-N 0 0 312.154 3.552 10 0 DHAERN Cc1ccccc1C(=O)Nc1ccc(N2CCCCC2)c(N)c1 ZINC000226265690 563913299 /nfs/dbraw/zinc/91/32/99/563913299.db2.gz VHVPXLORRBZYMS-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccccc2)cc1N ZINC000226265784 563913303 /nfs/dbraw/zinc/91/33/03/563913303.db2.gz ILADQOLMUNLRJA-CQSZACIVSA-N 0 0 309.413 3.900 10 0 DHAERN Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCCCC1 ZINC000226266489 563913515 /nfs/dbraw/zinc/91/35/15/563913515.db2.gz KYLUIDSPEMWHDD-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN CCc1ccccc1NC(=O)CSCCc1ccccn1 ZINC000008323779 563947790 /nfs/dbraw/zinc/94/77/90/563947790.db2.gz QKHODZUUJGAFMI-UHFFFAOYSA-N 0 0 300.427 3.558 10 0 DHAERN CSC[C@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381586476 971765417 /nfs/dbraw/zinc/76/54/17/971765417.db2.gz CRXKQYFIWPXKCF-NSHDSACASA-N 0 0 313.850 3.613 10 0 DHAERN C[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)[C@H]1C(=O)[O-] ZINC000722131670 955194280 /nfs/dbraw/zinc/19/42/80/955194280.db2.gz COBLMBAGHLGSSZ-QMTHXVAHSA-N 0 0 316.228 3.721 10 0 DHAERN CCC[C@@](C)([NH2+]Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000167658545 959352303 /nfs/dbraw/zinc/35/23/03/959352303.db2.gz ICSLCCZHWOLIKT-CYBMUJFWSA-N 0 0 307.287 3.578 10 0 DHAERN CCC[C@](C)([NH2+]Cc1ccc(F)cc1C(F)(F)F)C(=O)[O-] ZINC000167658435 959352673 /nfs/dbraw/zinc/35/26/73/959352673.db2.gz ICSLCCZHWOLIKT-ZDUSSCGKSA-N 0 0 307.287 3.578 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]CCc2ccc(Cl)s2)cc1F ZINC000226284325 959874044 /nfs/dbraw/zinc/87/40/44/959874044.db2.gz SGMDAUPHLPMGDU-UHFFFAOYSA-N 0 0 313.781 3.571 10 0 DHAERN O=C([O-])CC[C@H]1CCCN(Cc2csc(C3CCCC3)n2)C1 ZINC000263189534 962345227 /nfs/dbraw/zinc/34/52/27/962345227.db2.gz VKNKJVMFZSSTBM-CYBMUJFWSA-N 0 0 322.474 3.878 10 0 DHAERN C[C@@H](N[C@H](C)c1cccc(Cl)c1)c1ncc(C(=O)[O-])s1 ZINC000314655338 963785215 /nfs/dbraw/zinc/78/52/15/963785215.db2.gz NBBFXKFDQNINLU-RKDXNWHRSA-N 0 0 310.806 3.907 10 0 DHAERN Cc1cc(NC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)n(C)n1 ZINC000080063431 1014269026 /nfs/dbraw/zinc/26/90/26/1014269026.db2.gz KELGYYKUNVJVOK-CYBMUJFWSA-N 0 0 314.433 3.909 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1ccnc2ccccc12 ZINC000692460566 976491604 /nfs/dbraw/zinc/49/16/04/976491604.db2.gz GMGOAEIOLUMEBJ-UHFFFAOYSA-N 0 0 320.392 3.712 10 0 DHAERN C[C@@H]([NH2+]Cc1csc(C(=O)[O-])c1)C1CCC(F)(F)CC1 ZINC000701877264 977051203 /nfs/dbraw/zinc/05/12/03/977051203.db2.gz VNLRIJWVZFGAKA-SECBINFHSA-N 0 0 303.374 3.750 10 0 DHAERN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)c(Br)c1 ZINC000706445482 977322691 /nfs/dbraw/zinc/32/26/91/977322691.db2.gz RXJNNPVVULHINZ-AWEZNQCLSA-N 0 0 324.218 3.522 10 0 DHAERN C[C@@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)[C@H]1CO ZINC000089856087 1014490294 /nfs/dbraw/zinc/49/02/94/1014490294.db2.gz QQBFADPQULWOEQ-ACJLOTCBSA-N 0 0 324.424 3.563 10 0 DHAERN CC(C)=C(F)C(=O)N[C@@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092527439 1032500792 /nfs/dbraw/zinc/50/07/92/1032500792.db2.gz CBCGTBSDLUBJLK-CYBMUJFWSA-N 0 0 323.755 3.500 10 0 DHAERN COc1ccc(C[NH+]2CCC(c3nc(C)cs3)CC2)cc1O ZINC000092787390 1032510102 /nfs/dbraw/zinc/51/01/02/1032510102.db2.gz TVKRNKVQKLWKQK-UHFFFAOYSA-N 0 0 318.442 3.545 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1CCc2ccccc21 ZINC000091599551 1019475350 /nfs/dbraw/zinc/47/53/50/1019475350.db2.gz UEAYGBSZTBOLDV-IRXDYDNUSA-N 0 0 324.428 3.561 10 0 DHAERN CCC(CC)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000073269444 1020106997 /nfs/dbraw/zinc/10/69/97/1020106997.db2.gz PFBDCZOZUJGGMX-UHFFFAOYSA-N 0 0 304.365 3.718 10 0 DHAERN CN1CC[C@H](CNC(=O)c2ccc3cc[nH]c3c2)c2ccccc21 ZINC000056047634 1025887785 /nfs/dbraw/zinc/88/77/85/1025887785.db2.gz BLJVERFWYKVRPR-MRXNPFEDSA-N 0 0 319.408 3.521 10 0 DHAERN O=C(/C=C/c1cccc(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000067046722 1030520920 /nfs/dbraw/zinc/52/09/20/1030520920.db2.gz AXACASAKKXAIFL-UZYOAWRESA-N 0 0 316.401 3.702 10 0 DHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCCn2ccnc21 ZINC000080554772 1031400306 /nfs/dbraw/zinc/40/03/06/1031400306.db2.gz KPGOMJBYVLZSKZ-DZGCQCFKSA-N 0 0 323.396 3.726 10 0 DHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)C[C@@H](C)C(C)C)C2)c1 ZINC000081639667 1031566629 /nfs/dbraw/zinc/56/66/29/1031566629.db2.gz JVGZYVOOONJDAK-CABCVRRESA-N 0 0 319.445 3.702 10 0 DHAERN Cc1nc(N)nc(Cl)c1Cc1ccc(Cl)cc1Cl ZINC000079067120 185152699 /nfs/dbraw/zinc/15/26/99/185152699.db2.gz VJIGIWKUEFVEJA-UHFFFAOYSA-N 0 0 302.592 3.918 10 0 DHAERN C[C@H](NC(=O)CCC(F)(F)F)c1ccccc1Br ZINC000079295767 185163846 /nfs/dbraw/zinc/16/38/46/185163846.db2.gz DMDQGBOQSVEMFL-QMMMGPOBSA-N 0 0 324.140 3.969 10 0 DHAERN C[C@H](NC(=O)N1CCOC(C)(C)C1)c1ccc2ccccc2c1 ZINC000079219237 185161801 /nfs/dbraw/zinc/16/18/01/185161801.db2.gz IOIKRRNJCWXMTD-AWEZNQCLSA-N 0 0 312.413 3.721 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccc(F)cc1 ZINC000088559659 185257905 /nfs/dbraw/zinc/25/79/05/185257905.db2.gz YAZNKSZMOMUSSU-LSDHHAIUSA-N 0 0 302.397 3.555 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccc(F)cc1F ZINC000088559880 185257988 /nfs/dbraw/zinc/25/79/88/185257988.db2.gz ULHZXOISYVPCBR-GJZGRUSLSA-N 0 0 320.387 3.695 10 0 DHAERN O=C(Cc1ccccc1)Nc1cccc2[nH]c(-c3cn[nH]c3)cc21 ZINC000090636133 185307730 /nfs/dbraw/zinc/30/77/30/185307730.db2.gz RWDFCWBXNDQSJY-UHFFFAOYSA-N 0 0 316.364 3.739 10 0 DHAERN Nc1ccc2c(c1)CCCN2C(=O)c1c(F)cccc1Cl ZINC000020006180 190645018 /nfs/dbraw/zinc/64/50/18/190645018.db2.gz WWNCSKOSYIPFFB-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN O=C(N[C@@H]1CCCc2c(O)cccc21)c1csc(C2CC2)n1 ZINC000190209822 334947675 /nfs/dbraw/zinc/94/76/75/334947675.db2.gz SFRODHHFFVXREU-CYBMUJFWSA-N 0 0 314.410 3.534 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(Cl)c1 ZINC000226285154 201772543 /nfs/dbraw/zinc/77/25/43/201772543.db2.gz RJCIVGCUINMCLN-UHFFFAOYSA-N 0 0 320.742 3.855 10 0 DHAERN CCc1nnc2sc(-c3cc4ccccc4cc3OC)nn12 ZINC000226293840 201773915 /nfs/dbraw/zinc/77/39/15/201773915.db2.gz DAWKLOLVQKHZMT-UHFFFAOYSA-N 0 0 310.382 3.577 10 0 DHAERN NC(=O)/C=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000226332806 201777051 /nfs/dbraw/zinc/77/70/51/201777051.db2.gz PQOHQTXTIMBUHI-JLHYYAGUSA-N 0 0 303.361 3.917 10 0 DHAERN Cc1ccc(C)c(OCC(=O)Nc2c(C)cc(N)cc2Cl)c1 ZINC000227145213 201792709 /nfs/dbraw/zinc/79/27/09/201792709.db2.gz LRAVLHTYPHMRQX-UHFFFAOYSA-N 0 0 318.804 3.865 10 0 DHAERN CC(C)[C@H](C)NC(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000072078716 191033455 /nfs/dbraw/zinc/03/34/55/191033455.db2.gz CWQWZLOTNOPUOF-AWEZNQCLSA-N 0 0 306.450 3.845 10 0 DHAERN Brc1ccc(-n2nccc2-c2cccnc2)cc1 ZINC000072190558 191072904 /nfs/dbraw/zinc/07/29/04/191072904.db2.gz VSEBVMDZLMQVTO-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)O1 ZINC000146159231 186037751 /nfs/dbraw/zinc/03/77/51/186037751.db2.gz OEXPQEJQYUCEAH-HQJQHLMTSA-N 0 0 307.699 3.865 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C)nc2C)C12CCCC2 ZINC000150786389 186065779 /nfs/dbraw/zinc/06/57/79/186065779.db2.gz WLFSDGOZIFMQPY-SJORKVTESA-N 0 0 316.445 3.508 10 0 DHAERN N#CNc1nccc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000072448770 191170624 /nfs/dbraw/zinc/17/06/24/191170624.db2.gz MVIRYLFOHFYCBF-UHFFFAOYSA-N 0 0 302.337 3.616 10 0 DHAERN Cc1nn2cc3c(nc2c1-c1ccc(Cl)cc1)CCCC3=O ZINC000072464049 191174517 /nfs/dbraw/zinc/17/45/17/191174517.db2.gz RCTMLDTXCRBVRG-UHFFFAOYSA-N 0 0 311.772 3.877 10 0 DHAERN CSc1nnc(S[C@@H](C)C(=O)c2ccc(F)cc2)s1 ZINC000072645872 191209001 /nfs/dbraw/zinc/20/90/01/191209001.db2.gz ZAKQTYSSUVNLBH-ZETCQYMHSA-N 0 0 314.432 3.763 10 0 DHAERN CC(=O)Nc1ccc([C@H]2NN=C(Cc3ccccc3)S2)cc1 ZINC000000834595 180836170 /nfs/dbraw/zinc/83/61/70/180836170.db2.gz WMJQBMCLUAJVNJ-KRWDZBQOSA-N 0 0 311.410 3.536 10 0 DHAERN CCCCCCn1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000001944952 180903495 /nfs/dbraw/zinc/90/34/95/180903495.db2.gz ATHWSDIRCWDYKE-LLVKDONJSA-N 0 0 305.447 3.558 10 0 DHAERN CC(C)(C)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 ZINC000003008095 180976367 /nfs/dbraw/zinc/97/63/67/180976367.db2.gz GKTWZSSLHGEQLI-UHFFFAOYSA-N 0 0 319.405 3.743 10 0 DHAERN O=C(Nc1nc2c(cc(F)cc2F)s1)c1cccc(F)c1 ZINC000004331529 181098491 /nfs/dbraw/zinc/09/84/91/181098491.db2.gz ARHFOHLAMLXEMR-UHFFFAOYSA-N 0 0 308.284 3.966 10 0 DHAERN O=C(Nc1nnc(-c2cccs2)s1)c1cccc(F)c1 ZINC000004560304 181124383 /nfs/dbraw/zinc/12/43/83/181124383.db2.gz ONCLFXMVFDNHFB-UHFFFAOYSA-N 0 0 305.359 3.658 10 0 DHAERN C[C@@H](NC(=O)N(C)C1CCC1)c1ccccc1Br ZINC000073489896 191321533 /nfs/dbraw/zinc/32/15/33/191321533.db2.gz WATMDVPBPBRADM-SNVBAGLBSA-N 0 0 311.223 3.704 10 0 DHAERN CCCNC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C ZINC000004930880 181174447 /nfs/dbraw/zinc/17/44/47/181174447.db2.gz YJGZQIBOZJMNSO-UHFFFAOYSA-N 0 0 317.389 3.650 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000076033891 191556260 /nfs/dbraw/zinc/55/62/60/191556260.db2.gz FXMKMICRHFGZOC-MFKMUULPSA-N 0 0 315.398 3.530 10 0 DHAERN CNC(=O)c1c(C)c(C)sc1NC(=O)c1cccc(Cl)c1 ZINC000005145001 181209203 /nfs/dbraw/zinc/20/92/03/181209203.db2.gz ODSHUWRURFVEQV-UHFFFAOYSA-N 0 0 322.817 3.630 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000078348311 191850789 /nfs/dbraw/zinc/85/07/89/191850789.db2.gz JCDBHXPTNKNCSM-STQMWFEESA-N 0 0 303.431 3.881 10 0 DHAERN CC(C)C[C@H](CO)NC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 ZINC000078601178 191894127 /nfs/dbraw/zinc/89/41/27/191894127.db2.gz LEBJPRCZIWWESX-QGZVFWFLSA-N 0 0 324.424 3.786 10 0 DHAERN COc1ccc(C(=O)Nc2cnc(-c3ccc(OC)cc3)o2)cc1 ZINC000005360860 181234530 /nfs/dbraw/zinc/23/45/30/181234530.db2.gz RCWOPTMKDXOGRN-UHFFFAOYSA-N 0 0 324.336 3.611 10 0 DHAERN c1ccc(C[C@H](c2ccccn2)n2nnc3ccccc32)cc1 ZINC000005331712 181230132 /nfs/dbraw/zinc/23/01/32/181230132.db2.gz WCDDQTRDCPOUGE-LJQANCHMSA-N 0 0 300.365 3.658 10 0 DHAERN CC(C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1N ZINC000005548744 181255864 /nfs/dbraw/zinc/25/58/64/181255864.db2.gz JNIRDOFRFJDETJ-UHFFFAOYSA-N 0 0 317.245 3.714 10 0 DHAERN O[C@@H](c1cccc2ccccc21)C1(n2nnc3ccccc32)CC1 ZINC000005705040 181274647 /nfs/dbraw/zinc/27/46/47/181274647.db2.gz LEURJHBMQYUMRZ-IBGZPJMESA-N 0 0 315.376 3.807 10 0 DHAERN COc1cc(OC)c(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Cl ZINC000085628974 192518287 /nfs/dbraw/zinc/51/82/87/192518287.db2.gz VSIHJUQRRDXRJG-AMFBXLIHSA-N 0 0 311.809 3.583 10 0 DHAERN CC[C@@H](C)Oc1cc(=O)[nH]c(Sc2ccc(Cl)cc2)n1 ZINC000005884686 181293004 /nfs/dbraw/zinc/29/30/04/181293004.db2.gz JTFODQIOWZNFCS-SECBINFHSA-N 0 0 310.806 3.752 10 0 DHAERN Brc1cnc2cc(COCc3ccccc3)ccn12 ZINC000089202070 192741539 /nfs/dbraw/zinc/74/15/39/192741539.db2.gz BMLXKPUIZCJAKI-UHFFFAOYSA-N 0 0 317.186 3.814 10 0 DHAERN CC(C)NC(=O)CSc1nc2ccccc2c2c1CCCC2 ZINC000005977082 181303037 /nfs/dbraw/zinc/30/30/37/181303037.db2.gz ZUOFKJNIPAJRGN-UHFFFAOYSA-N 0 0 314.454 3.730 10 0 DHAERN CC(=O)Nc1sc2cnccc2c1C(=O)c1cccs1 ZINC000090759804 192929955 /nfs/dbraw/zinc/92/99/55/192929955.db2.gz PARZHLVOTSNHTP-UHFFFAOYSA-N 0 0 302.380 3.547 10 0 DHAERN COC(=O)c1ccccc1Nc1ncnc2sc(C)c(C)c21 ZINC000006545660 181352398 /nfs/dbraw/zinc/35/23/98/181352398.db2.gz SSHRPSJHUPFBFF-UHFFFAOYSA-N 0 0 313.382 3.838 10 0 DHAERN CCC(CC)c1nnc(NC(=O)C(Cl)(Cl)Cl)s1 ZINC000006634687 181363292 /nfs/dbraw/zinc/36/32/92/181363292.db2.gz HAGWJQZMMMFPSB-UHFFFAOYSA-N 0 0 316.641 3.750 10 0 DHAERN O=C(c1ccco1)N(CCc1ccccc1)Cc1ccccn1 ZINC000006676438 181369515 /nfs/dbraw/zinc/36/95/15/181369515.db2.gz YCUYUYIWNMGSGP-UHFFFAOYSA-N 0 0 306.365 3.560 10 0 DHAERN FC(F)(F)Oc1cnc(Br)cc1C(F)(F)F ZINC000091252411 193026818 /nfs/dbraw/zinc/02/68/18/193026818.db2.gz WXIPARQPBIRXHI-UHFFFAOYSA-N 0 0 309.991 3.762 10 0 DHAERN CCOC(=O)Cc1cn(C(=O)OC(C)(C)C)c2sccc12 ZINC000091690704 193090945 /nfs/dbraw/zinc/09/09/45/193090945.db2.gz RUKPXGGTCYGVGG-UHFFFAOYSA-N 0 0 309.387 3.592 10 0 DHAERN Cc1cccc(NS(=O)(=O)CCc2ccccc2Cl)c1 ZINC000255190760 202910231 /nfs/dbraw/zinc/91/02/31/202910231.db2.gz ZGLAELJXAVRELH-UHFFFAOYSA-N 0 0 309.818 3.633 10 0 DHAERN CC(C)(C)[C@H]1COC(c2cc(F)ccc2Br)=N1 ZINC000261508857 203073509 /nfs/dbraw/zinc/07/35/09/203073509.db2.gz XRXWUTCMXWPNDW-LLVKDONJSA-N 0 0 300.171 3.780 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(CCOCc2ccccn2)CC1 ZINC000095083790 193419022 /nfs/dbraw/zinc/41/90/22/193419022.db2.gz OSJWBFJVSFMKGB-UHFFFAOYSA-N 0 0 320.433 3.635 10 0 DHAERN Cc1csc(-c2ccc(NC(=O)[C@@H]3CC[C@@H](C)O3)cc2)n1 ZINC000151512914 196690875 /nfs/dbraw/zinc/69/08/75/196690875.db2.gz AKIWHBABCYDKBL-RISCZKNCSA-N 0 0 302.399 3.625 10 0 DHAERN CCCCCCN1C(=O)C2(OCCCO2)c2cccc(Cl)c21 ZINC000008046673 181522645 /nfs/dbraw/zinc/52/26/45/181522645.db2.gz KZMQASUKKBFJIG-UHFFFAOYSA-N 0 0 323.820 3.857 10 0 DHAERN CC(=O)N(C[C@H]1CCCO1)c1nc2c(cccc2C(C)C)s1 ZINC000009034971 181596948 /nfs/dbraw/zinc/59/69/48/181596948.db2.gz HKGRGXLDAJTOOT-CYBMUJFWSA-N 0 0 318.442 3.952 10 0 DHAERN Cc1ccc(C(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1C ZINC000008910084 181590844 /nfs/dbraw/zinc/59/08/44/181590844.db2.gz FHROEMQHMRUUOE-SFHVURJKSA-N 0 0 323.392 3.652 10 0 DHAERN COc1cc(C=O)ccc1OCCOc1ccc(C)cc1C ZINC000009237620 181610192 /nfs/dbraw/zinc/61/01/92/181610192.db2.gz GAQHYQVRXHTRIS-UHFFFAOYSA-N 0 0 300.354 3.582 10 0 DHAERN COc1ccccc1-c1cc(-c2ccco2)c2c(N)ncnc2n1 ZINC000009694541 181636656 /nfs/dbraw/zinc/63/66/56/181636656.db2.gz UXJLADCWRCQRLZ-UHFFFAOYSA-N 0 0 318.336 3.543 10 0 DHAERN CCOc1ccc2oc(-c3csc(NC(C)=O)n3)cc2c1 ZINC000010884299 181680352 /nfs/dbraw/zinc/68/03/52/181680352.db2.gz HXIMAPJLOGMUOR-UHFFFAOYSA-N 0 0 302.355 3.913 10 0 DHAERN CCC(=O)N(C[C@H]1CCCO1)c1nc2ccc(C)cc2s1 ZINC000011066161 181684661 /nfs/dbraw/zinc/68/46/61/181684661.db2.gz GGYDGJOSZPEVTQ-GFCCVEGCSA-N 0 0 304.415 3.527 10 0 DHAERN CC(C)CC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 ZINC000011988820 181721768 /nfs/dbraw/zinc/72/17/68/181721768.db2.gz IAUXCSDXMFCWMO-UHFFFAOYSA-N 0 0 311.341 3.981 10 0 DHAERN CCCN(CCC)C(=O)c1sc2nc(C)cc(C)c2c1N ZINC000013162875 181835022 /nfs/dbraw/zinc/83/50/22/181835022.db2.gz PRMSTGSJEPMPFT-UHFFFAOYSA-N 0 0 305.447 3.758 10 0 DHAERN COc1ccc(CC(=O)Nc2nc3cc(Cl)ccc3o2)cc1 ZINC000015783123 182017256 /nfs/dbraw/zinc/01/72/56/182017256.db2.gz URHLETUCLSGSEY-UHFFFAOYSA-N 0 0 316.744 3.671 10 0 DHAERN CCCN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O ZINC000018051606 182091086 /nfs/dbraw/zinc/09/10/86/182091086.db2.gz KCPSKDLGBMWKQY-UHFFFAOYSA-N 0 0 306.321 3.501 10 0 DHAERN COc1ccc(OCc2ccc(Br)s2)c(N)c1 ZINC000019478146 182124341 /nfs/dbraw/zinc/12/43/41/182124341.db2.gz QSSUCFKUEIIUPZ-UHFFFAOYSA-N 0 0 314.204 3.680 10 0 DHAERN Cc1ccc(SCC(=O)Nc2ccc(N)cc2C)cc1C ZINC000019846450 182156523 /nfs/dbraw/zinc/15/65/23/182156523.db2.gz HQOCVRNPHPSCSH-UHFFFAOYSA-N 0 0 300.427 3.925 10 0 DHAERN Nc1cc(Br)ccc1Oc1ccc2c(c1)OCO2 ZINC000019845924 182156714 /nfs/dbraw/zinc/15/67/14/182156714.db2.gz NKLIIIRDHGXVIK-UHFFFAOYSA-N 0 0 308.131 3.552 10 0 DHAERN Brc1ccccc1NC1CCC2(CC1)OCCO2 ZINC000019922854 182164460 /nfs/dbraw/zinc/16/44/60/182164460.db2.gz YRHJQVPZILWLDU-UHFFFAOYSA-N 0 0 312.207 3.547 10 0 DHAERN NC(=S)c1ccc(Oc2cccc(Br)c2)cc1 ZINC000019867162 182158422 /nfs/dbraw/zinc/15/84/22/182158422.db2.gz DHHRJGPGFWGBEJ-UHFFFAOYSA-N 0 0 308.200 3.876 10 0 DHAERN Nc1ccc2c(c1)CCCN2C(=O)CCCc1cccs1 ZINC000019874479 182159049 /nfs/dbraw/zinc/15/90/49/182159049.db2.gz GMTHQRLQPRTEMK-UHFFFAOYSA-N 0 0 300.427 3.632 10 0 DHAERN C[C@@H](Nc1cc(F)cc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000019982573 182172969 /nfs/dbraw/zinc/17/29/69/182172969.db2.gz SEQSAGXNEZYVRN-SNVBAGLBSA-N 0 0 311.353 3.541 10 0 DHAERN COc1ccc(N)cc1NC(=O)c1cccc(Cl)c1Cl ZINC000019981955 182173205 /nfs/dbraw/zinc/17/32/05/182173205.db2.gz IYOQYOQXWMFKMR-UHFFFAOYSA-N 0 0 311.168 3.837 10 0 DHAERN Nc1ncnc2scc(-c3ccc(Br)cc3)c21 ZINC000020321007 182206265 /nfs/dbraw/zinc/20/62/65/182206265.db2.gz ANPVQEBIHDEBFX-UHFFFAOYSA-N 0 0 306.188 3.703 10 0 DHAERN C[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1 ZINC000020307818 182205245 /nfs/dbraw/zinc/20/52/45/182205245.db2.gz OXJRTQBQNLACER-SECBINFHSA-N 0 0 301.217 3.853 10 0 DHAERN Cc1ccccc1C(=O)Nc1nc(-c2ccc(N)cc2)cs1 ZINC000020335912 182209105 /nfs/dbraw/zinc/20/91/05/182209105.db2.gz BEOGXFQQPAFOKE-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN Cc1cc(C)n(C(=O)CSc2cc(Cl)c(Cl)cn2)n1 ZINC000020352975 182210610 /nfs/dbraw/zinc/21/06/10/182210610.db2.gz KJNHIRJPCANWMR-UHFFFAOYSA-N 0 0 316.213 3.634 10 0 DHAERN Oc1cccc(-c2noc(-c3cccc(Br)c3)n2)c1 ZINC000020432813 182217497 /nfs/dbraw/zinc/21/74/97/182217497.db2.gz KCARTVFQKDQTJY-UHFFFAOYSA-N 0 0 317.142 3.872 10 0 DHAERN Cc1ccc(-c2[nH]nc3c2cnc2cc4c(cc32)OCCO4)cc1 ZINC000021017662 182260704 /nfs/dbraw/zinc/26/07/04/182260704.db2.gz AXGSEUCXSXQCRZ-UHFFFAOYSA-N 0 0 317.348 3.858 10 0 DHAERN O=C(c1ccccc1)N(Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000021998071 182303083 /nfs/dbraw/zinc/30/30/83/182303083.db2.gz WWRJHUMSXJRCEN-MOPGFXCFSA-N 0 0 309.409 3.633 10 0 DHAERN Clc1ccccc1-c1nnc2ccc(Br)cn21 ZINC000098180261 193791040 /nfs/dbraw/zinc/79/10/40/193791040.db2.gz JKMRKAXPWDLAOV-UHFFFAOYSA-N 0 0 308.566 3.812 10 0 DHAERN O=C(N/C=C\c1ccco1)OCc1ccc(Br)cc1 ZINC000033336250 182705869 /nfs/dbraw/zinc/70/58/69/182705869.db2.gz OPRWUACTFLPSTG-FPLPWBNLSA-N 0 0 322.158 3.939 10 0 DHAERN CCC[C@H](C)CNc1cc(NS(C)(=O)=O)ccc1Cl ZINC000037029309 182863204 /nfs/dbraw/zinc/86/32/04/182863204.db2.gz ILSPESYFEPXWML-JTQLQIEISA-N 0 0 304.843 3.560 10 0 DHAERN O[C@H]1CCCCC[C@H]1Nc1cc(Br)ccc1F ZINC000037891797 182934169 /nfs/dbraw/zinc/93/41/69/182934169.db2.gz SPPKZMMBNIMPJO-YPMHNXCESA-N 0 0 302.187 3.694 10 0 DHAERN CCOC(=O)c1cccc(CP(=O)(OCC)OCC)c1 ZINC000038689676 183006456 /nfs/dbraw/zinc/00/64/56/183006456.db2.gz MIZUTTUNNHKCOQ-UHFFFAOYSA-N 0 0 300.291 3.629 10 0 DHAERN CCCCOC(=O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000039207925 183014817 /nfs/dbraw/zinc/01/48/17/183014817.db2.gz OMEKUFBYEWBRGO-UHFFFAOYSA-N 0 0 324.376 3.696 10 0 DHAERN CS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)s1 ZINC000039234548 183015623 /nfs/dbraw/zinc/01/56/23/183015623.db2.gz JGZIUWPCUJAVLH-UHFFFAOYSA-N 0 0 315.419 3.881 10 0 DHAERN CCOC(=O)c1ccc(N2CCC[C@@H]2C)c(Br)c1 ZINC000039951956 183023897 /nfs/dbraw/zinc/02/38/97/183023897.db2.gz MDDZJPQWMCQCAT-JTQLQIEISA-N 0 0 312.207 3.615 10 0 DHAERN O=C1CCCc2cc([C@H](O)c3cccc(Cl)c3)ccc2N1 ZINC000040261214 183049363 /nfs/dbraw/zinc/04/93/63/183049363.db2.gz ONLRDTIOUOTSLC-QGZVFWFLSA-N 0 0 301.773 3.697 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Br)s2)o1 ZINC000040214987 183046401 /nfs/dbraw/zinc/04/64/01/183046401.db2.gz GJUCLOCGYNZFLN-QMMMGPOBSA-N 0 0 314.204 3.903 10 0 DHAERN Cc1cccc(C)c1OCCn1c(CCCO)nc2ccccc21 ZINC000040225296 183048043 /nfs/dbraw/zinc/04/80/43/183048043.db2.gz KVSZAMIRZHKDTD-UHFFFAOYSA-N 0 0 324.424 3.657 10 0 DHAERN COCCn1c(COc2cc(C)ccc2C)nc2ccccc21 ZINC000040234422 183048494 /nfs/dbraw/zinc/04/84/94/183048494.db2.gz XVEGILFPSYKAIN-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN Cc1ccccc1C(=O)NCc1nc2ccccc2n1CC(C)C ZINC000040275869 183050869 /nfs/dbraw/zinc/05/08/69/183050869.db2.gz OSOUZNCZGYGGQN-UHFFFAOYSA-N 0 0 321.424 3.931 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccc(F)cc1 ZINC000040295558 183052501 /nfs/dbraw/zinc/05/25/01/183052501.db2.gz VNKOXCHLPHQDDF-UHFFFAOYSA-N 0 0 311.360 3.739 10 0 DHAERN COc1ccc(NC(=O)Cn2c3ccccc3nc2C2CC2)cc1 ZINC000040295940 183052824 /nfs/dbraw/zinc/05/28/24/183052824.db2.gz MMNGOJISYXFACC-UHFFFAOYSA-N 0 0 321.380 3.561 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1ccc(C)cc1 ZINC000040295556 183052882 /nfs/dbraw/zinc/05/28/82/183052882.db2.gz AQEWPGHCYAUBDX-UHFFFAOYSA-N 0 0 307.397 3.909 10 0 DHAERN CCc1ccc(OCCn2c(CO)nc3cc(C)c(C)cc32)cc1 ZINC000040308971 183053650 /nfs/dbraw/zinc/05/36/50/183053650.db2.gz OAXIHCYHJHHVCM-UHFFFAOYSA-N 0 0 324.424 3.787 10 0 DHAERN OCCn1c2cc(Cl)ccc2nc1Cc1ccc(Cl)cc1 ZINC000040401022 183061516 /nfs/dbraw/zinc/06/15/16/183061516.db2.gz AGKCSNLPCUZUSQ-UHFFFAOYSA-N 0 0 321.207 3.926 10 0 DHAERN Oc1c(I)cc(Cl)c2ccccc12 ZINC000040456568 183068942 /nfs/dbraw/zinc/06/89/42/183068942.db2.gz UTANYJPHSKZWCY-UHFFFAOYSA-N 0 0 304.514 3.803 10 0 DHAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccccc1F ZINC000040709265 183121247 /nfs/dbraw/zinc/12/12/47/183121247.db2.gz ZOZCVSRGRGJDAV-UHFFFAOYSA-N 0 0 309.348 3.554 10 0 DHAERN Cc1cc(C)cc(Nc2ncnc(Nc3ccccn3)c2N)c1 ZINC000040681969 183117433 /nfs/dbraw/zinc/11/74/33/183117433.db2.gz NAGVNMPHIZQGRE-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)cc1C ZINC000040702806 183119684 /nfs/dbraw/zinc/11/96/84/183119684.db2.gz OWJHNYMHZUNEAR-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CCCNc1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040707677 183120555 /nfs/dbraw/zinc/12/05/55/183120555.db2.gz ARARBRAOJAPUMI-UHFFFAOYSA-N 0 0 309.373 3.530 10 0 DHAERN Nc1c(Nc2ccc(F)cc2)ncnc1NC1CCCCC1 ZINC000040708591 183120700 /nfs/dbraw/zinc/12/07/00/183120700.db2.gz QIWLZKGTTTVMRZ-UHFFFAOYSA-N 0 0 301.369 3.686 10 0 DHAERN CC(C)(C)NNc1ncnc(Sc2ccc(Cl)cc2)c1N ZINC000040723087 183124739 /nfs/dbraw/zinc/12/47/39/183124739.db2.gz MROQBSJGPSLBGC-UHFFFAOYSA-N 0 0 323.853 3.578 10 0 DHAERN Cc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2N)cc1 ZINC000040757458 183129320 /nfs/dbraw/zinc/12/93/20/183129320.db2.gz BFEHRMNLYKAETC-UHFFFAOYSA-N 0 0 306.373 3.550 10 0 DHAERN Nc1c(NCc2ccco2)ncnc1Nc1cccc(Cl)c1 ZINC000040761279 183130116 /nfs/dbraw/zinc/13/01/16/183130116.db2.gz GHXHYJDERMGHJQ-UHFFFAOYSA-N 0 0 315.764 3.661 10 0 DHAERN CCCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 ZINC000040898184 183146912 /nfs/dbraw/zinc/14/69/12/183146912.db2.gz KJZOJTQRTPGPBA-UHFFFAOYSA-N 0 0 305.230 3.997 10 0 DHAERN CCOc1ccccc1-c1cn2nc(SCC)sc2n1 ZINC000040965138 183152384 /nfs/dbraw/zinc/15/23/84/183152384.db2.gz LEJODQQIWFTKCE-UHFFFAOYSA-N 0 0 305.428 3.969 10 0 DHAERN CCOc1ccc(CCC(=O)Nc2ccccc2C)cc1OC ZINC000040999899 183155117 /nfs/dbraw/zinc/15/51/17/183155117.db2.gz HAQCMEOCTVRLLO-UHFFFAOYSA-N 0 0 313.397 3.974 10 0 DHAERN Cc1cc(C(F)(F)F)nn1-c1ccccc1Br ZINC000041531749 183199119 /nfs/dbraw/zinc/19/91/19/183199119.db2.gz UTYJSBOPTHYMAY-UHFFFAOYSA-N 0 0 305.097 3.962 10 0 DHAERN OC[C@H](Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000041542920 183201154 /nfs/dbraw/zinc/20/11/54/183201154.db2.gz VVMIBVIQODOLOA-ZDUSSCGKSA-N 0 0 309.178 3.907 10 0 DHAERN COc1ccc(-c2csc(Br)n2)c(OC)c1 ZINC000041507411 183195222 /nfs/dbraw/zinc/19/52/22/183195222.db2.gz YCYBSRSOUGWGKD-UHFFFAOYSA-N 0 0 300.177 3.590 10 0 DHAERN CNc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042033530 183230253 /nfs/dbraw/zinc/23/02/53/183230253.db2.gz VGOUJDWQSZXQHB-GHMZBOCLSA-N 0 0 300.324 3.579 10 0 DHAERN CNc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042033526 183230426 /nfs/dbraw/zinc/23/04/26/183230426.db2.gz VGOUJDWQSZXQHB-WDEREUQCSA-N 0 0 300.324 3.579 10 0 DHAERN COc1ccc([C@@H](O)c2sccc2C)cc1Br ZINC000042268167 183248292 /nfs/dbraw/zinc/24/82/92/183248292.db2.gz VGNSEJAKZHIHDG-GFCCVEGCSA-N 0 0 313.216 3.909 10 0 DHAERN Brc1c[nH]nc1-c1ccc(Br)cc1 ZINC000042415137 183266680 /nfs/dbraw/zinc/26/66/80/183266680.db2.gz WHTMOEYMTSXIAJ-UHFFFAOYSA-N 0 0 301.969 3.602 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000042528697 183280954 /nfs/dbraw/zinc/28/09/54/183280954.db2.gz XIDABJHEYGLAHC-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN CC[C@H](NC(=O)c1ccc(OC)c(Br)c1)C(C)C ZINC000042593521 183289434 /nfs/dbraw/zinc/28/94/34/183289434.db2.gz WKXUYVPTTQUYOS-LBPRGKRZSA-N 0 0 314.223 3.622 10 0 DHAERN C[C@H]1CCCC[C@@H]1N(C)c1cc(Br)ccc1CO ZINC000042608654 183290518 /nfs/dbraw/zinc/29/05/18/183290518.db2.gz ZFZGYHSCQPCEPF-FZMZJTMJSA-N 0 0 312.251 3.956 10 0 DHAERN CCCCN(c1nc(Cl)c(C(=O)OC)s1)[C@@H](C)CC ZINC000042612801 183291231 /nfs/dbraw/zinc/29/12/31/183291231.db2.gz NWCUYOGOGJURBA-VIFPVBQESA-N 0 0 304.843 3.988 10 0 DHAERN CCN(CC(=O)c1ccc(Br)cc1)CC(F)(F)F ZINC000042774280 183306602 /nfs/dbraw/zinc/30/66/02/183306602.db2.gz ODJRVEXWMSWQNR-UHFFFAOYSA-N 0 0 324.140 3.516 10 0 DHAERN CC(C)[C@H](Sc1nncs1)C(=O)N[C@@H](C)c1ccccc1 ZINC000042987299 183326208 /nfs/dbraw/zinc/32/62/08/183326208.db2.gz NIHGZXVTVKCIMX-AAEUAGOBSA-N 0 0 321.471 3.532 10 0 DHAERN COc1ccc(CC[C@H](O)C(C)(C)C)cc1Br ZINC000043657681 183377675 /nfs/dbraw/zinc/37/76/75/183377675.db2.gz MMKIPCPOJAZRDO-ZDUSSCGKSA-N 0 0 301.224 3.797 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CCc2ccc(O)cc2)o1 ZINC000043719960 183383366 /nfs/dbraw/zinc/38/33/66/183383366.db2.gz QSEKIOIRKLIKGL-TZMCWYRMSA-N 0 0 316.401 3.675 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000045038897 183477204 /nfs/dbraw/zinc/47/72/04/183477204.db2.gz VDAWIKRFENOHMO-MNOVXSKESA-N 0 0 300.349 3.693 10 0 DHAERN COc1ccccc1NCC(=O)c1ccc(Br)cc1 ZINC000045929523 183537433 /nfs/dbraw/zinc/53/74/33/183537433.db2.gz JBURVIWYPZTOBG-UHFFFAOYSA-N 0 0 320.186 3.753 10 0 DHAERN COc1ccccc1C(=O)Nc1nonc1-c1cc(C)ccc1C ZINC000047133318 183581515 /nfs/dbraw/zinc/58/15/15/183581515.db2.gz CLERXOQRWDXMLZ-UHFFFAOYSA-N 0 0 323.352 3.614 10 0 DHAERN CCCc1nc(CN2CCc3c(nc(C(C)C)n3C)C2)cs1 ZINC000106387427 194206374 /nfs/dbraw/zinc/20/63/74/194206374.db2.gz YAFRNLBKLCZAIV-UHFFFAOYSA-N 0 0 318.490 3.511 10 0 DHAERN Nc1cc(Cl)ccc1CS(=O)(=O)c1ccccc1Cl ZINC000050445059 183786938 /nfs/dbraw/zinc/78/69/38/183786938.db2.gz RQFGYIQDMJPVBR-UHFFFAOYSA-N 0 0 316.209 3.550 10 0 DHAERN CC(C)(C)c1cc(N)nc(-c2ccc(Br)s2)n1 ZINC000050866737 183806918 /nfs/dbraw/zinc/80/69/18/183806918.db2.gz NFLUSJYHHUHKQU-UHFFFAOYSA-N 0 0 312.236 3.847 10 0 DHAERN Cc1nc(NC(=O)c2cccc(Cl)n2)c(Cl)cc1Cl ZINC000051073981 183813003 /nfs/dbraw/zinc/81/30/03/183813003.db2.gz NYNCRVNRCNQQMX-UHFFFAOYSA-N 0 0 316.575 3.998 10 0 DHAERN CCc1ccc(C(=O)c2ccc(OC)c(Br)c2)o1 ZINC000051726405 183835114 /nfs/dbraw/zinc/83/51/14/183835114.db2.gz IZHUBUJLIGWOKK-UHFFFAOYSA-N 0 0 309.159 3.844 10 0 DHAERN COCc1cc(Cl)nc(Nc2cc(Cl)ccc2F)n1 ZINC000057343645 184034313 /nfs/dbraw/zinc/03/43/13/184034313.db2.gz XIUQARHRQSUDTC-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN Fc1cc(F)cc(CNc2nc(Cl)c3c(n2)CCCC3)c1 ZINC000057343511 184034507 /nfs/dbraw/zinc/03/45/07/184034507.db2.gz GDAFOGCLXHRVEW-UHFFFAOYSA-N 0 0 309.747 3.899 10 0 DHAERN O=C(Nc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccccc2N1 ZINC000058498748 184120348 /nfs/dbraw/zinc/12/03/48/184120348.db2.gz AICXXOPRWCPOEG-AWEZNQCLSA-N 0 0 306.287 3.681 10 0 DHAERN CN(Cc1ccccc1Br)C[C@@H]1CCCCC1=O ZINC000060720402 184155119 /nfs/dbraw/zinc/15/51/19/184155119.db2.gz NAFXADLNMAIUOE-ZDUSSCGKSA-N 0 0 310.235 3.640 10 0 DHAERN COc1ccc(C[C@H](C(C)C)[C@H](C)O)cc1Br ZINC000061688798 184183013 /nfs/dbraw/zinc/18/30/13/184183013.db2.gz HYVGDRHUXWMFQT-CMPLNLGQSA-N 0 0 301.224 3.653 10 0 DHAERN CN(c1cccc(C(N)=S)c1)c1ncc(Cl)cc1Cl ZINC000061953454 184198688 /nfs/dbraw/zinc/19/86/88/184198688.db2.gz QLJBPEWKGLFHMW-UHFFFAOYSA-N 0 0 312.225 3.791 10 0 DHAERN CC(C)CCc1noc(-c2cccc(Br)c2N)n1 ZINC000062826755 184254548 /nfs/dbraw/zinc/25/45/48/184254548.db2.gz UBVWZASQCDMFAI-UHFFFAOYSA-N 0 0 310.195 3.670 10 0 DHAERN CC(C)NC(=O)Nc1cc(F)c2nc(N3CCCC3)ccc2c1 ZINC000065029725 184308733 /nfs/dbraw/zinc/30/87/33/184308733.db2.gz AOMOACAGLOVIEK-UHFFFAOYSA-N 0 0 316.380 3.504 10 0 DHAERN Cc1cccc(CNC(=O)c2cc3c(s2)CN(C(C)C)C3)c1 ZINC000065238675 184317346 /nfs/dbraw/zinc/31/73/46/184317346.db2.gz LXJMCIKCCGRUPG-UHFFFAOYSA-N 0 0 314.454 3.711 10 0 DHAERN O=C(NC1CC1)c1cccc(-c2cc(O)cc(C(F)(F)F)c2)c1 ZINC000065344384 184325880 /nfs/dbraw/zinc/32/58/80/184325880.db2.gz BOKWTAYMIRKRHL-UHFFFAOYSA-N 0 0 321.298 3.970 10 0 DHAERN CN(C)C(=O)c1cccc(-c2cc(O)cc(Br)c2)c1 ZINC000065343916 184325924 /nfs/dbraw/zinc/32/59/24/184325924.db2.gz HPYBAVXJESJDCW-UHFFFAOYSA-N 0 0 320.186 3.524 10 0 DHAERN Brc1ccc(-c2coc(-c3ccccn3)n2)cn1 ZINC000066054569 184385487 /nfs/dbraw/zinc/38/54/87/184385487.db2.gz CXRRCCYVOOONCK-UHFFFAOYSA-N 0 0 302.131 3.561 10 0 DHAERN COc1ccc(NC(=O)COc2ccc(F)cc2)c(Cl)c1 ZINC000065810854 184380387 /nfs/dbraw/zinc/38/03/87/184380387.db2.gz HDZLTQPJUBRTGH-UHFFFAOYSA-N 0 0 309.724 3.505 10 0 DHAERN c1sc([C@@H]2C[C@H]3CC[N@@H+](CC4CC4)C[C@@H]3O2)nc1C1CC1 ZINC000503719545 257208642 /nfs/dbraw/zinc/20/86/42/257208642.db2.gz NGOCNTWOTYVHMW-KBMXLJTQSA-N 0 0 304.459 3.582 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1csc(Cl)n1 ZINC000274504202 130241319 /nfs/dbraw/zinc/24/13/19/130241319.db2.gz PXKAOGRGIFSEIE-BQBZGAKWSA-N 0 0 312.744 3.647 10 0 DHAERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194239437 335064794 /nfs/dbraw/zinc/06/47/94/335064794.db2.gz CPXUNNAZEBVLKC-YOEHRIQHSA-N 0 0 315.417 3.741 10 0 DHAERN O=C(NC1CCCCCC1)C1CCN(c2ccccc2F)CC1 ZINC000010342944 134495672 /nfs/dbraw/zinc/49/56/72/134495672.db2.gz ZDDNHFRNNLNFIW-UHFFFAOYSA-N 0 0 318.436 3.881 10 0 DHAERN Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CC[C@H](C)O2)s1 ZINC000150933023 196605678 /nfs/dbraw/zinc/60/56/78/196605678.db2.gz CQEQEAYOYDKQPY-LRDDRELGSA-N 0 0 319.426 3.746 10 0 DHAERN CO[C@@H](c1nnc([C@H]2CCO[C@@H]2C(C)(C)C)o1)c1ccccc1 ZINC000299746328 229390228 /nfs/dbraw/zinc/39/02/28/229390228.db2.gz WRMWCBYZKCSHJJ-ZNMIVQPWSA-N 0 0 316.401 3.724 10 0 DHAERN Nc1n[nH]cc1[C@@H]1CCN(Cc2ccccc2)c2ccccc21 ZINC000616677135 435366727 /nfs/dbraw/zinc/36/67/27/435366727.db2.gz ZZHKWWQDAVPMLJ-OAHLLOKOSA-N 0 0 304.397 3.534 10 0 DHAERN C[C@@H](CSCc1ccccc1)C(=O)N1CCS[C@@H](C)C1 ZINC000161658526 332779527 /nfs/dbraw/zinc/77/95/27/332779527.db2.gz WERNZGAHYVBNQN-KBPBESRZSA-N 0 0 309.500 3.520 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)NCC3(C)CCC3)C2)n1 ZINC000174995527 332872466 /nfs/dbraw/zinc/87/24/66/332872466.db2.gz ZOSILJYDAGAFAQ-CYBMUJFWSA-N 0 0 321.490 3.785 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@H]1C[C@@]12CCCc1ccccc12 ZINC000175785219 332907109 /nfs/dbraw/zinc/90/71/09/332907109.db2.gz SAOIYPKRRCYEBE-DBXWQHBBSA-N 0 0 319.404 3.531 10 0 DHAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)s1 ZINC000035285832 331492320 /nfs/dbraw/zinc/49/23/20/331492320.db2.gz MFPQWNALIJFTQP-SECBINFHSA-N 0 0 315.847 3.978 10 0 DHAERN COc1cc(F)ccc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109085360 331510030 /nfs/dbraw/zinc/51/00/30/331510030.db2.gz HMGCQIRHXJWSAR-VXGBXAGGSA-N 0 0 321.298 3.855 10 0 DHAERN C[C@H](NC(=O)c1cc(F)cc2cccnc21)c1cccs1 ZINC000179982317 331554464 /nfs/dbraw/zinc/55/44/64/331554464.db2.gz QCHQJJXJINVYIS-JTQLQIEISA-N 0 0 300.358 3.926 10 0 DHAERN C[C@H](NC(=O)c1cn(C)nc1-c1cccs1)c1cccs1 ZINC000180054652 331557374 /nfs/dbraw/zinc/55/73/74/331557374.db2.gz AAYCMDWGCRMVGU-JTQLQIEISA-N 0 0 317.439 3.701 10 0 DHAERN Fc1ccc(OCCc2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000109535862 331581871 /nfs/dbraw/zinc/58/18/71/331581871.db2.gz VURUASFOIFXXBK-UHFFFAOYSA-N 0 0 320.270 3.775 10 0 DHAERN Nc1cccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1 ZINC000037807583 331586863 /nfs/dbraw/zinc/58/68/63/331586863.db2.gz HZZVFTWGAPKOHJ-UHFFFAOYSA-N 0 0 300.789 3.727 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000175969596 332918109 /nfs/dbraw/zinc/91/81/09/332918109.db2.gz LGOOYAJLZFUNBJ-MFKMUULPSA-N 0 0 320.845 3.895 10 0 DHAERN CC1(C)C[C@H](NC(=O)/C=C\c2cccnc2)c2ccccc2O1 ZINC000255562931 331772001 /nfs/dbraw/zinc/77/20/01/331772001.db2.gz SYAVTAXDWSYTAQ-YDZSZYSISA-N 0 0 308.381 3.513 10 0 DHAERN Cc1ccc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000130117762 332022655 /nfs/dbraw/zinc/02/26/55/332022655.db2.gz RBTBCOLKFKQNGU-WBMJQRKESA-N 0 0 302.805 3.923 10 0 DHAERN CCOC(=O)c1csc(N[C@@H]2CCCc3ccccc32)n1 ZINC000133094280 332136413 /nfs/dbraw/zinc/13/64/13/332136413.db2.gz KWPTYEFNSOFOMY-CYBMUJFWSA-N 0 0 302.399 3.809 10 0 DHAERN CC1(C)C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2ccccc2O1 ZINC000262093479 332138637 /nfs/dbraw/zinc/13/86/37/332138637.db2.gz IFJQEOBWJMAXQB-SSDMNJCBSA-N 0 0 303.402 3.522 10 0 DHAERN CC(C)[C@@H](O)CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000158276230 332143676 /nfs/dbraw/zinc/14/36/76/332143676.db2.gz VRJOOPNFXCMMMP-ZDUSSCGKSA-N 0 0 318.244 3.752 10 0 DHAERN CC[C@@H](C)[C@@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000180901395 332144670 /nfs/dbraw/zinc/14/46/70/332144670.db2.gz PVSQOXYLYIHNCV-CHWSQXEVSA-N 0 0 307.438 3.761 10 0 DHAERN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000181092852 332175165 /nfs/dbraw/zinc/17/51/65/332175165.db2.gz LSVVKZVKYKGBGU-SCRDCRAPSA-N 0 0 301.352 3.958 10 0 DHAERN CCc1ncc(C(=O)N2CCCC[C@@H]2c2nccs2)s1 ZINC000115364627 332250840 /nfs/dbraw/zinc/25/08/40/332250840.db2.gz DJEXDIVVHUMZIV-SNVBAGLBSA-N 0 0 307.444 3.529 10 0 DHAERN CC[C@@H](NCc1csc(N(CC)C(C)=O)n1)c1cccs1 ZINC000049529403 332315457 /nfs/dbraw/zinc/31/54/57/332315457.db2.gz JQLVPTIPHHOSKZ-CYBMUJFWSA-N 0 0 323.487 3.818 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000191783427 332350134 /nfs/dbraw/zinc/35/01/34/332350134.db2.gz JWYOWRBVQFUPQT-RNCFNFMXSA-N 0 0 302.201 3.771 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)CSc2ccncc2)c2ccccc21 ZINC000125352490 332446560 /nfs/dbraw/zinc/44/65/60/332446560.db2.gz SPYDIKBXSYXGHQ-GUYCJALGSA-N 0 0 312.438 3.929 10 0 DHAERN CC[C@@H](C)OCC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000151471456 332580184 /nfs/dbraw/zinc/58/01/84/332580184.db2.gz XLLIQDKOMKBICC-ZJUUUORDSA-N 0 0 304.217 3.986 10 0 DHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1cccs1 ZINC000172345625 333061586 /nfs/dbraw/zinc/06/15/86/333061586.db2.gz NHYSLOYPXLJGHA-JSGCOSHPSA-N 0 0 303.431 3.997 10 0 DHAERN C[C@@H](NC(=O)C[C@H](C)C(=O)c1cccc(F)c1)c1cccs1 ZINC000173660103 333076748 /nfs/dbraw/zinc/07/67/48/333076748.db2.gz IXCOYIWQMZIKHT-NWDGAFQWSA-N 0 0 319.401 3.974 10 0 DHAERN C[C@@H]1[C@H](C)Sc2ccccc2N1Cc1nnc(C2CC2)n1C ZINC000177343745 333127420 /nfs/dbraw/zinc/12/74/20/333127420.db2.gz COHVNDOPEBXDLI-NEPJUHHUSA-N 0 0 314.458 3.582 10 0 DHAERN CCC[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188058381 333158482 /nfs/dbraw/zinc/15/84/82/333158482.db2.gz CGVLYFKNGZQBNK-KBAYOESNSA-N 0 0 303.446 3.719 10 0 DHAERN COCc1ccsc1C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182196394 333183356 /nfs/dbraw/zinc/18/33/56/333183356.db2.gz KBOIORSEALOBPL-MLGOLLRUSA-N 0 0 315.438 3.866 10 0 DHAERN CCn1nc(C)c([C@@H](C)Nc2cncc(Br)c2)c1C ZINC000311316411 333311431 /nfs/dbraw/zinc/31/14/31/333311431.db2.gz CTZIKHUSCYESOZ-SECBINFHSA-N 0 0 323.238 3.850 10 0 DHAERN Cc1nc2ccccc2nc1N[C@@H](C)COCc1ccccc1 ZINC000390712803 333317621 /nfs/dbraw/zinc/31/76/21/333317621.db2.gz ZHKBPKMFAVQFLZ-AWEZNQCLSA-N 0 0 307.397 3.955 10 0 DHAERN CSC[C@@H](O)C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000188212233 333361037 /nfs/dbraw/zinc/36/10/37/333361037.db2.gz KRPLRVJKWOXYDN-YUMQZZPRSA-N 0 0 312.237 3.507 10 0 DHAERN CCOC(=O)[C@@H](Cc1ccccc1)N[C@H](C)c1cccs1 ZINC000187340042 333430635 /nfs/dbraw/zinc/43/06/35/333430635.db2.gz DUPOHNHMBWEJBA-UKRRQHHQSA-N 0 0 303.427 3.573 10 0 DHAERN C[C@H](NC(=O)c1ccc2c(c1)CCN2)c1ccccc1Cl ZINC000040853881 333541108 /nfs/dbraw/zinc/54/11/08/333541108.db2.gz NLYLBUDGAXWJDQ-NSHDSACASA-N 0 0 300.789 3.799 10 0 DHAERN C[C@@H](NC(=O)c1ccc2c(c1)CCN2)c1ccc(Cl)cc1 ZINC000040852354 333541245 /nfs/dbraw/zinc/54/12/45/333541245.db2.gz IEAOXVZVDCHVQK-LLVKDONJSA-N 0 0 300.789 3.799 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)O1 ZINC000152063567 333592557 /nfs/dbraw/zinc/59/25/57/333592557.db2.gz OUFSCLHBWHMZLH-FZMZJTMJSA-N 0 0 320.389 3.540 10 0 DHAERN COC(C)(C)C(=O)N[C@@H](C)c1ccc(OCCC(C)C)cc1 ZINC000170966537 334101000 /nfs/dbraw/zinc/10/10/00/334101000.db2.gz CMNYIVMNTAQSJJ-AWEZNQCLSA-N 0 0 307.434 3.714 10 0 DHAERN CCOC(C)(C)CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000187780456 334273162 /nfs/dbraw/zinc/27/31/62/334273162.db2.gz LQXJZXUAYSMYIS-JTQLQIEISA-N 0 0 316.804 3.654 10 0 DHAERN COc1ccc(O)cc1C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000187664483 334268768 /nfs/dbraw/zinc/26/87/68/334268768.db2.gz UIOVXLWNUBQNOI-NSHDSACASA-N 0 0 319.788 3.887 10 0 DHAERN COc1cc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000187743560 334270628 /nfs/dbraw/zinc/27/06/28/334270628.db2.gz BRTOVEXQBGYIHW-STQMWFEESA-N 0 0 316.376 3.512 10 0 DHAERN Fc1cc(Br)ccc1CN[C@H]1COc2ccccc21 ZINC000070070196 334359460 /nfs/dbraw/zinc/35/94/60/334359460.db2.gz YQPQPLYCEKNGFI-AWEZNQCLSA-N 0 0 322.177 3.812 10 0 DHAERN CC(C)[C@@H]1N(c2ncnc3c4ccccc4oc32)C[C@]12CCCO2 ZINC000328752217 334751934 /nfs/dbraw/zinc/75/19/34/334751934.db2.gz NHHMROWKGPQXMP-PKOBYXMFSA-N 0 0 323.396 3.770 10 0 DHAERN C[C@H](CC(=O)N1CCCc2c(N)cccc21)c1ccc(F)cc1 ZINC000126767091 334864481 /nfs/dbraw/zinc/86/44/81/334864481.db2.gz ORKMYQLWHHVZIQ-CYBMUJFWSA-N 0 0 312.388 3.881 10 0 DHAERN COc1ccnc(CN[C@H](C)c2ccc(Cl)s2)c1OC ZINC000188665356 334871063 /nfs/dbraw/zinc/87/10/63/334871063.db2.gz RXKBAIPDXUAXGQ-SECBINFHSA-N 0 0 312.822 3.665 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000113204339 335206032 /nfs/dbraw/zinc/20/60/32/335206032.db2.gz FOJZNYAKMCUODH-AWEZNQCLSA-N 0 0 306.475 3.992 10 0 DHAERN CCCCO[C@H](C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113205757 335212089 /nfs/dbraw/zinc/21/20/89/335212089.db2.gz RRZCFIULMJLYOW-KGLIPLIRSA-N 0 0 324.490 3.617 10 0 DHAERN C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000113232272 335261315 /nfs/dbraw/zinc/26/13/15/335261315.db2.gz AZMUIFXWDIGMPN-OXQOHEQNSA-N 0 0 320.436 3.662 10 0 DHAERN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1nnc3n1CCCC3)CCC2 ZINC000166732482 335828668 /nfs/dbraw/zinc/82/86/68/335828668.db2.gz FSZLNNFKJSVWSR-WMLDXEAASA-N 0 0 310.445 3.651 10 0 DHAERN CCCCOc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000054469315 335885856 /nfs/dbraw/zinc/88/58/56/335885856.db2.gz SYEKXSYJHOZBID-KBPBESRZSA-N 0 0 306.406 3.507 10 0 DHAERN O=C(NCc1ccsc1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000179299066 335951553 /nfs/dbraw/zinc/95/15/53/335951553.db2.gz OZIIOHDFQFKMGB-OAHLLOKOSA-N 0 0 304.390 3.764 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)nc2ccccc12 ZINC000329254396 335956393 /nfs/dbraw/zinc/95/63/93/335956393.db2.gz WVQUQBOJAHRVAX-QAPCUYQASA-N 0 0 322.408 3.517 10 0 DHAERN O=C1NCc2c1cccc2NC1CCC2(CCOCC2)CC1 ZINC000329464552 335979465 /nfs/dbraw/zinc/97/94/65/335979465.db2.gz USTJWTBXHSYKSO-UHFFFAOYSA-N 0 0 300.402 3.656 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cc(Br)c(F)cc1F ZINC000192061216 336017071 /nfs/dbraw/zinc/01/70/71/336017071.db2.gz QGDOAEGVPYATEC-SSDOTTSWSA-N 0 0 306.150 3.502 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cc(C)c1O ZINC000330060486 336110271 /nfs/dbraw/zinc/11/02/71/336110271.db2.gz MTFXEEAYGXRBDN-OXJNMPFZSA-N 0 0 323.392 3.688 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCC([C@H]2CCCO2)CC1 ZINC000333074346 336197677 /nfs/dbraw/zinc/19/76/77/336197677.db2.gz VOSVMJLKZYSZHK-QGZVFWFLSA-N 0 0 313.401 3.591 10 0 DHAERN CCCc1cnc(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)s1 ZINC000333484637 336204539 /nfs/dbraw/zinc/20/45/39/336204539.db2.gz HVGSHOQIOGSRAI-CJNGLKHVSA-N 0 0 323.462 3.517 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nc2c(nccc2C)[nH]1 ZINC000333752117 336209414 /nfs/dbraw/zinc/20/94/14/336209414.db2.gz XXRUGWUWWKGZOK-UHFFFAOYSA-N 0 0 302.403 3.978 10 0 DHAERN COc1cccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c1O ZINC000042253675 336237976 /nfs/dbraw/zinc/23/79/76/336237976.db2.gz OOTIZDHXVRZFJA-JTQLQIEISA-N 0 0 305.761 3.545 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000103388571 336241320 /nfs/dbraw/zinc/24/13/20/336241320.db2.gz KHFDXZPGUBSKAE-CYBMUJFWSA-N 0 0 317.360 3.626 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000103384476 336241358 /nfs/dbraw/zinc/24/13/58/336241358.db2.gz PPYKPAQZOORTTA-LBPRGKRZSA-N 0 0 303.333 3.839 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000043066914 336244915 /nfs/dbraw/zinc/24/49/15/336244915.db2.gz QXQJLNAJKSCRGY-CQSZACIVSA-N 0 0 313.401 3.827 10 0 DHAERN CC(C)(C)n1cc(Nc2ccc(-c3ccc(F)cc3)nn2)cn1 ZINC000301105811 336290245 /nfs/dbraw/zinc/29/02/45/336290245.db2.gz PUJRRVWQQSAULB-UHFFFAOYSA-N 0 0 311.364 3.978 10 0 DHAERN c1nc2ncnc(NCc3cccc(OC4CCCCC4)c3)c2[nH]1 ZINC000301223478 336295488 /nfs/dbraw/zinc/29/54/88/336295488.db2.gz DGQUGUMCVQRZIN-UHFFFAOYSA-N 0 0 323.400 3.677 10 0 DHAERN CC[C@H]1COCCN1c1nc(-c2ccccc2)nc2ccccc21 ZINC000301263459 336297531 /nfs/dbraw/zinc/29/75/31/336297531.db2.gz BZRBIUVYLYBSJZ-INIZCTEOSA-N 0 0 319.408 3.912 10 0 DHAERN C[C@@H]1C[C@@H]1[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccccc1 ZINC000301307801 336300073 /nfs/dbraw/zinc/30/00/73/336300073.db2.gz WAOXPZMMLQFJCO-RIEGTJTDSA-N 0 0 315.804 3.643 10 0 DHAERN CCc1cc(N2C[C@H]3CC=CC[C@@H]3C2)nc(-c2ccncc2)n1 ZINC000301402124 336304536 /nfs/dbraw/zinc/30/45/36/336304536.db2.gz CULZZPOPYNRQDR-HZPDHXFCSA-N 0 0 306.413 3.503 10 0 DHAERN Nc1nc(Cl)cc(N[C@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000301426706 336306044 /nfs/dbraw/zinc/30/60/44/336306044.db2.gz PEBRVFGYWZCRDT-NEPJUHHUSA-N 0 0 306.772 3.600 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000301440745 336306979 /nfs/dbraw/zinc/30/69/79/336306979.db2.gz MEXIPSKMEXLBRG-HOCLYGCPSA-N 0 0 301.434 3.554 10 0 DHAERN Cc1cnc(CCNc2nc(-c3ccccc3)ns2)s1 ZINC000301442463 336307049 /nfs/dbraw/zinc/30/70/49/336307049.db2.gz UTRMMGWCFIUTFP-UHFFFAOYSA-N 0 0 302.428 3.625 10 0 DHAERN Cc1cc(N(C)[C@H](C)Cc2ccsc2)nc(-c2cccnc2)n1 ZINC000301496416 336310339 /nfs/dbraw/zinc/31/03/39/336310339.db2.gz UASZOALIKZXDMY-CQSZACIVSA-N 0 0 324.453 3.976 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000301519208 336311987 /nfs/dbraw/zinc/31/19/87/336311987.db2.gz CQRTVSCUNWICNM-WIEQDCTASA-N 0 0 302.443 3.727 10 0 DHAERN CCc1nc(CCNc2c(F)c(F)nc(F)c2F)sc1C ZINC000301573183 336315786 /nfs/dbraw/zinc/31/57/86/336315786.db2.gz YULFJMAOSZMVEI-UHFFFAOYSA-N 0 0 319.327 3.620 10 0 DHAERN CC(C)(C)[C@@H]1OCC[C@@H]1CNc1c(F)c(F)nc(F)c1F ZINC000301583215 336316423 /nfs/dbraw/zinc/31/64/23/336316423.db2.gz AFKLYKDYKVPLCQ-RDDDGLTNSA-N 0 0 306.303 3.501 10 0 DHAERN CCc1cc2c(ncnc2NC(C)(C)C(C)(C)C(=O)OC)s1 ZINC000301591961 336317000 /nfs/dbraw/zinc/31/70/00/336317000.db2.gz YMGRHWFMJRNQMA-UHFFFAOYSA-N 0 0 321.446 3.643 10 0 DHAERN CCc1nsc(N[C@@H](CCOC)c2ccc(Cl)cc2)n1 ZINC000301671560 336322444 /nfs/dbraw/zinc/32/24/44/336322444.db2.gz ZBKUWPJGLNEUSI-LBPRGKRZSA-N 0 0 311.838 3.944 10 0 DHAERN C[C@@H](Nc1ccc2ccccc2n1)c1cn(-c2ccccc2)nn1 ZINC000301677629 336322861 /nfs/dbraw/zinc/32/28/61/336322861.db2.gz TVIPOLBIOGWCAK-CQSZACIVSA-N 0 0 315.380 3.989 10 0 DHAERN Clc1cccc(-c2noc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)n2)c1 ZINC000301682897 336323182 /nfs/dbraw/zinc/32/31/82/336323182.db2.gz VVLUWOPRNWDVRA-MJBXVCDLSA-N 0 0 319.792 3.760 10 0 DHAERN CCOC(=O)[C@]1(C)CCN(c2nc(-c3ccccc3)cs2)C1 ZINC000301740140 336326802 /nfs/dbraw/zinc/32/68/02/336326802.db2.gz DJZJWWKCGVBEIS-QGZVFWFLSA-N 0 0 316.426 3.590 10 0 DHAERN COC1(CNc2ccc3c(Cl)ccnc3c2F)CCOCC1 ZINC000301754418 336327911 /nfs/dbraw/zinc/32/79/11/336327911.db2.gz CNUIXTQTKTVMTP-UHFFFAOYSA-N 0 0 324.783 3.635 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000301781083 336329349 /nfs/dbraw/zinc/32/93/49/336329349.db2.gz NNJYACFLWVBWTG-QWRGUYRKSA-N 0 0 307.344 3.937 10 0 DHAERN Cc1noc(-c2ccnc(NCC3(Cc4ccccc4)CC3)c2)n1 ZINC000301782878 336329586 /nfs/dbraw/zinc/32/95/86/336329586.db2.gz NRLZTEHQOVXFIU-UHFFFAOYSA-N 0 0 320.396 3.875 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000301792881 336330241 /nfs/dbraw/zinc/33/02/41/336330241.db2.gz RWWPIMYQUABOFA-UONOGXRCSA-N 0 0 316.405 3.625 10 0 DHAERN Cc1nc(C)c(C)c(N2CC[C@H](Oc3cccc(Cl)c3)C2)n1 ZINC000301823122 336332347 /nfs/dbraw/zinc/33/23/47/336332347.db2.gz CGGGAZBWUBHHAU-INIZCTEOSA-N 0 0 317.820 3.713 10 0 DHAERN COc1ccccc1C[C@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000301858113 336334508 /nfs/dbraw/zinc/33/45/08/336334508.db2.gz DQOSVXVHQUDQAB-OAHLLOKOSA-N 0 0 307.397 3.783 10 0 DHAERN CC(=O)Nc1c(C)cc(Nc2ccc(C(F)(F)F)nn2)cc1C ZINC000301948506 336339342 /nfs/dbraw/zinc/33/93/42/336339342.db2.gz HZTKBJUDUMASHX-UHFFFAOYSA-N 0 0 324.306 3.814 10 0 DHAERN CCC(CC)N(C)c1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301964464 336340298 /nfs/dbraw/zinc/34/02/98/336340298.db2.gz SYGIFFMEJOSZEP-UHFFFAOYSA-N 0 0 313.380 3.555 10 0 DHAERN CCc1cc(N2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)nc(C)n1 ZINC000302053704 336345765 /nfs/dbraw/zinc/34/57/65/336345765.db2.gz PJYKTBCKNILNDS-BBRMVZONSA-N 0 0 311.429 3.738 10 0 DHAERN CCc1cc(N2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)nc(C)n1 ZINC000302053707 336345767 /nfs/dbraw/zinc/34/57/67/336345767.db2.gz PJYKTBCKNILNDS-XJKSGUPXSA-N 0 0 311.429 3.738 10 0 DHAERN CC(C)(C)c1cn2nc(N[C@H]3CC(C)(C)OC3(C)C)sc2n1 ZINC000302070521 336346752 /nfs/dbraw/zinc/34/67/52/336346752.db2.gz UIDFVYVWGODKCG-JTQLQIEISA-N 0 0 322.478 3.846 10 0 DHAERN Cc1nc2c(c(Nc3ccc(N4CCCC4)nc3C)n1)CCCC2 ZINC000302119125 336349361 /nfs/dbraw/zinc/34/93/61/336349361.db2.gz XHHBTQMNDBSKMO-UHFFFAOYSA-N 0 0 323.444 3.711 10 0 DHAERN CC[C@H](CSC)Nc1nnc(Cc2ccccc2F)s1 ZINC000302171222 336352247 /nfs/dbraw/zinc/35/22/47/336352247.db2.gz PYIQVLLGPCWUBR-LLVKDONJSA-N 0 0 311.451 3.822 10 0 DHAERN CC(C)Cc1nsc(N2Cc3ccccc3N(C)C[C@@H]2C)n1 ZINC000302327925 336357249 /nfs/dbraw/zinc/35/72/49/336357249.db2.gz YNHUMSFSTRIBHB-ZDUSSCGKSA-N 0 0 316.474 3.582 10 0 DHAERN OCC[C@@H]1CCC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000302479379 336359690 /nfs/dbraw/zinc/35/96/90/336359690.db2.gz VYGYEUBSCKMWLK-KWQFWETISA-N 0 0 308.731 3.717 10 0 DHAERN C[C@@](O)(CNc1ccnc2c(F)cc(F)cc12)c1ccccc1 ZINC000302558990 336361717 /nfs/dbraw/zinc/36/17/17/336361717.db2.gz ZFZQMLPZZRIHDQ-GOSISDBHSA-N 0 0 314.335 3.833 10 0 DHAERN Cc1cc(N(C)Cc2ccc(C)c(F)c2)nc(-c2ccncc2)n1 ZINC000302709172 336365901 /nfs/dbraw/zinc/36/59/01/336365901.db2.gz KCXTZSGUXQZKMP-UHFFFAOYSA-N 0 0 322.387 3.931 10 0 DHAERN CCc1nnc(N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)nc1CC ZINC000302753488 336367943 /nfs/dbraw/zinc/36/79/43/336367943.db2.gz VCYWNUJJZYQKPR-MLGOLLRUSA-N 0 0 314.433 3.875 10 0 DHAERN Cc1cc2c(ncnc2N(CCc2nccs2)C(C)C)s1 ZINC000302800550 336369830 /nfs/dbraw/zinc/36/98/30/336369830.db2.gz CAWHRCLKTNRKRV-UHFFFAOYSA-N 0 0 318.471 3.914 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1ncnc2sc(C)cc21 ZINC000302827867 336371112 /nfs/dbraw/zinc/37/11/12/336371112.db2.gz NTUKHPGZCIEXSK-INIZCTEOSA-N 0 0 305.447 3.785 10 0 DHAERN CCO[C@H]1CCCN(c2cc(C(C)(C)C)nc(C(C)C)n2)C1 ZINC000302888277 336373449 /nfs/dbraw/zinc/37/34/49/336373449.db2.gz MSKUFFODKHYTMM-AWEZNQCLSA-N 0 0 305.466 3.903 10 0 DHAERN Cc1cc(CN2C[C@H](C)Oc3ccc(Br)cc32)no1 ZINC000193222561 336690857 /nfs/dbraw/zinc/69/08/57/336690857.db2.gz CZDMQMQGANXTHI-JTQLQIEISA-N 0 0 323.190 3.533 10 0 DHAERN C[C@@H](Cc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116042655 336830425 /nfs/dbraw/zinc/83/04/25/336830425.db2.gz GXWRJKCJYRFTJN-BBRMVZONSA-N 0 0 301.361 3.961 10 0 DHAERN Brc1cncc(N2CCC(c3nccs3)CC2)c1 ZINC000368163704 336839789 /nfs/dbraw/zinc/83/97/89/336839789.db2.gz MCZVURVCKBYREP-UHFFFAOYSA-N 0 0 324.247 3.685 10 0 DHAERN O=C(N[C@@H]1CCc2cc(F)ccc21)N1CCC[C@H]1c1ccco1 ZINC000116424069 336840287 /nfs/dbraw/zinc/84/02/87/336840287.db2.gz MKUWROMYIDZTJV-CVEARBPZSA-N 0 0 314.360 3.953 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 ZINC000116479325 336840524 /nfs/dbraw/zinc/84/05/24/336840524.db2.gz ZENISDVZPOJGOM-OAHLLOKOSA-N 0 0 313.357 3.607 10 0 DHAERN CCCCCC[C@H](CC)C(=O)N1CC[C@H](c2cnn(C)c2)C1 ZINC000116647192 336843517 /nfs/dbraw/zinc/84/35/17/336843517.db2.gz FMUQCZYXNNFGSE-HOTGVXAUSA-N 0 0 305.466 3.733 10 0 DHAERN CC1(C)C[C@@H](NC(=O)/C=C/c2cccnc2)c2ccccc2O1 ZINC000121880610 336982103 /nfs/dbraw/zinc/98/21/03/336982103.db2.gz SYAVTAXDWSYTAQ-ZNFPLGDCSA-N 0 0 308.381 3.513 10 0 DHAERN Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2Cl)o1 ZINC000025368876 337029470 /nfs/dbraw/zinc/02/94/70/337029470.db2.gz PFTLGJVASKYACD-NSHDSACASA-N 0 0 313.806 3.589 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c1 ZINC000123102239 337037795 /nfs/dbraw/zinc/03/77/95/337037795.db2.gz YIOWXDVJDBBIOW-AWEZNQCLSA-N 0 0 307.800 3.821 10 0 DHAERN CCn1c(C)cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000043826560 337077954 /nfs/dbraw/zinc/07/79/54/337077954.db2.gz JYYHSMTUPGRVFR-OLZOCXBDSA-N 0 0 316.367 3.976 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)no1 ZINC000171242811 337086106 /nfs/dbraw/zinc/08/61/06/337086106.db2.gz LPYJNCYOLTVJQK-INIZCTEOSA-N 0 0 319.449 3.520 10 0 DHAERN CC(C)OCc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171381321 337086501 /nfs/dbraw/zinc/08/65/01/337086501.db2.gz VCAPLJHNPWCUQT-ZDUSSCGKSA-N 0 0 308.447 3.581 10 0 DHAERN Cc1csc([C@H]2CCCN(Cc3cn4ccsc4n3)C2)n1 ZINC000171081274 337086735 /nfs/dbraw/zinc/08/67/35/337086735.db2.gz RKECWVSSJSYUGJ-LBPRGKRZSA-N 0 0 318.471 3.540 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ncc(-c3ccccc3)s2)CCS1 ZINC000171721497 337088937 /nfs/dbraw/zinc/08/89/37/337088937.db2.gz SUKRYRWMEYZTHA-NSHDSACASA-N 0 0 319.455 3.779 10 0 DHAERN O=C(NCc1cccc2cccnc21)N1CCC[C@H]1c1ccco1 ZINC000172118989 337089910 /nfs/dbraw/zinc/08/99/10/337089910.db2.gz MMRXMVTZTZVYGU-INIZCTEOSA-N 0 0 321.380 3.875 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)OCC(F)(F)F)C2)n1 ZINC000172129745 337090019 /nfs/dbraw/zinc/09/00/19/337090019.db2.gz TZJSASVJJNVNJO-VIFPVBQESA-N 0 0 322.352 3.584 10 0 DHAERN Cc1ccccc1-n1cc(C(=O)N[C@H](C)c2cccs2)cn1 ZINC000171935393 337090406 /nfs/dbraw/zinc/09/04/06/337090406.db2.gz JTQNYEPVLHSMCM-CYBMUJFWSA-N 0 0 311.410 3.733 10 0 DHAERN Fc1cccc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417308 337128826 /nfs/dbraw/zinc/12/88/26/337128826.db2.gz DSALKFALCSHMMM-FQEVSTJZSA-N 0 0 322.383 3.947 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670641 337129330 /nfs/dbraw/zinc/12/93/30/337129330.db2.gz MIWZSWDNRIUAMU-CVEARBPZSA-N 0 0 305.466 3.634 10 0 DHAERN CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000172789131 337131036 /nfs/dbraw/zinc/13/10/36/337131036.db2.gz WHLVQVCQOPEPOA-MSOLQXFVSA-N 0 0 307.478 3.866 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccc(C)cc3)C2)n1 ZINC000173071399 337131893 /nfs/dbraw/zinc/13/18/93/337131893.db2.gz ZBLPXPVHKKCHQP-INIZCTEOSA-N 0 0 314.454 3.709 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC000172907281 337132348 /nfs/dbraw/zinc/13/23/48/337132348.db2.gz HMXQNOBBGKXPNB-QGZVFWFLSA-N 0 0 317.477 3.970 10 0 DHAERN CCCCCCNC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173278999 337134102 /nfs/dbraw/zinc/13/41/02/337134102.db2.gz SUURGQHBWZGQDZ-CQSZACIVSA-N 0 0 309.479 3.921 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 ZINC000173417318 337135260 /nfs/dbraw/zinc/13/52/60/337135260.db2.gz VZAGSEJEHDLADL-CQSZACIVSA-N 0 0 318.417 3.539 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCc2cscn2)o1 ZINC000173489654 337135631 /nfs/dbraw/zinc/13/56/31/337135631.db2.gz UKIHULUISHSGAP-AWEZNQCLSA-N 0 0 319.430 3.735 10 0 DHAERN c1coc([C@H]2CCCN2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759460 337136026 /nfs/dbraw/zinc/13/60/26/337136026.db2.gz RKJQIGNVGMPVTE-MRXNPFEDSA-N 0 0 323.396 3.785 10 0 DHAERN Cc1cc(F)cc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173922204 337137534 /nfs/dbraw/zinc/13/75/34/337137534.db2.gz URIOMZRLSQTJBZ-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN Cc1ccc(F)c(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c1 ZINC000173926127 337137622 /nfs/dbraw/zinc/13/76/22/337137622.db2.gz YKRAQTMOZPUAQH-AWEZNQCLSA-N 0 0 323.371 3.811 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)NCCC3CC3)C2)n1 ZINC000174056334 337139061 /nfs/dbraw/zinc/13/90/61/337139061.db2.gz BNSNVCGJMLIXHL-AWEZNQCLSA-N 0 0 321.490 3.956 10 0 DHAERN COC[C@@H](NC(=O)N[C@@H](C)c1ccccc1C)c1ccc(C)o1 ZINC000175139802 337144766 /nfs/dbraw/zinc/14/47/66/337144766.db2.gz GTWNTCGVSVJBIE-GOEBONIOSA-N 0 0 316.401 3.644 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)N[C@@H](C)C3CC3)C2)n1 ZINC000175535717 337147929 /nfs/dbraw/zinc/14/79/29/337147929.db2.gz XYPQYCFLXUHGTA-JSGCOSHPSA-N 0 0 321.490 3.954 10 0 DHAERN Cc1csc([C@H]2CN(CCCc3ccccc3C)CCO2)n1 ZINC000175902183 337148761 /nfs/dbraw/zinc/14/87/61/337148761.db2.gz PQOFNEDIBIDZAY-QGZVFWFLSA-N 0 0 316.470 3.766 10 0 DHAERN O=C(NCc1cccc(F)c1)N1CCCC[C@@H]1c1nccs1 ZINC000176192485 337149666 /nfs/dbraw/zinc/14/96/66/337149666.db2.gz KZYJQZYCECTPKK-CQSZACIVSA-N 0 0 319.405 3.719 10 0 DHAERN O=C(NCc1cccc(F)c1)N1CCCC[C@H]1c1nccs1 ZINC000176192496 337149676 /nfs/dbraw/zinc/14/96/76/337149676.db2.gz KZYJQZYCECTPKK-AWEZNQCLSA-N 0 0 319.405 3.719 10 0 DHAERN CCCC[C@@H](CCC)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000175994941 337150032 /nfs/dbraw/zinc/15/00/32/337150032.db2.gz LYSTWQCUAXQKPL-QGZVFWFLSA-N 0 0 320.481 3.664 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)CC3CCCCCC3)C2)c1 ZINC000176281539 337150693 /nfs/dbraw/zinc/15/06/93/337150693.db2.gz DUUGAFGKJDOQAN-QGZVFWFLSA-N 0 0 303.450 3.716 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2cccc3[nH]ccc32)no1 ZINC000176472318 337151408 /nfs/dbraw/zinc/15/14/08/337151408.db2.gz NIWYLYLXKYHNNV-OAHLLOKOSA-N 0 0 324.384 3.652 10 0 DHAERN COc1csc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000176493841 337151563 /nfs/dbraw/zinc/15/15/63/337151563.db2.gz RVAYJGJBEIQKPB-DTWKUNHWSA-N 0 0 307.337 3.608 10 0 DHAERN c1nc2n(n1)CCC[C@H]2N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000176683925 337152643 /nfs/dbraw/zinc/15/26/43/337152643.db2.gz KUBXCNBNMLVLIZ-MOPGFXCFSA-N 0 0 318.424 3.687 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177211001 337154891 /nfs/dbraw/zinc/15/48/91/337154891.db2.gz UPTMUHUYAFPBRD-IRXDYDNUSA-N 0 0 305.466 3.789 10 0 DHAERN CCCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177531472 337156514 /nfs/dbraw/zinc/15/65/14/337156514.db2.gz PZTYFFUCMUGNQB-YOEHRIQHSA-N 0 0 306.454 3.616 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1F ZINC000177939124 337159309 /nfs/dbraw/zinc/15/93/09/337159309.db2.gz HHNRQTXFBVKYKR-CYBMUJFWSA-N 0 0 305.736 3.733 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000178117922 337162346 /nfs/dbraw/zinc/16/23/46/337162346.db2.gz SADSKCRNPCBTRO-WQGACYEGSA-N 0 0 307.821 3.960 10 0 DHAERN CCn1cc(C2CCN(C(=O)[C@@H]3CCCC(C)(C)C3)CC2)cn1 ZINC000178941636 337166475 /nfs/dbraw/zinc/16/64/75/337166475.db2.gz BNMPGQLWGYTEJD-MRXNPFEDSA-N 0 0 317.477 3.825 10 0 DHAERN Cc1cc(Cl)c(NCc2nnc(C3CC3)n2C)cc1Cl ZINC000178984072 337166818 /nfs/dbraw/zinc/16/68/18/337166818.db2.gz SFHBHSXAHUNCCI-UHFFFAOYSA-N 0 0 311.216 3.920 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(Br)s2)o1 ZINC000220903677 337167108 /nfs/dbraw/zinc/16/71/08/337167108.db2.gz LGNSEPBZXAYHES-MRVPVSSYSA-N 0 0 301.209 3.658 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000178885980 337167308 /nfs/dbraw/zinc/16/73/08/337167308.db2.gz ZSBUGFPQJCPANQ-JKSUJKDBSA-N 0 0 317.477 3.917 10 0 DHAERN CCC[C@@H](C(=O)N1CCC[C@H](n2ccnc2CC)C1)C(C)C ZINC000179409888 337167778 /nfs/dbraw/zinc/16/77/78/337167778.db2.gz DOTVUEKDQCVAEH-JKSUJKDBSA-N 0 0 305.466 3.681 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180545107 337176311 /nfs/dbraw/zinc/17/63/11/337176311.db2.gz INMPSSXRGHBEMZ-TZMCWYRMSA-N 0 0 308.491 3.915 10 0 DHAERN CCn1ccnc1CNc1cc(F)c(Br)c(F)c1 ZINC000180584183 337176512 /nfs/dbraw/zinc/17/65/12/337176512.db2.gz WVYXGMHVTOJQGA-UHFFFAOYSA-N 0 0 316.149 3.556 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000181202919 337180352 /nfs/dbraw/zinc/18/03/52/337180352.db2.gz HMUNBYUBTFITQW-DLBZAZTESA-N 0 0 305.466 3.789 10 0 DHAERN O=C(Nc1ccc(-c2ncco2)cc1)N[C@H]1COc2ccccc21 ZINC000182582909 337188971 /nfs/dbraw/zinc/18/89/71/337188971.db2.gz PQWBCFVJIWCVRP-HNNXBMFYSA-N 0 0 321.336 3.597 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)O1 ZINC000182615415 337189056 /nfs/dbraw/zinc/18/90/56/337189056.db2.gz HZAMMMOKDOTYHI-NOZJJQNGSA-N 0 0 313.344 3.648 10 0 DHAERN C[C@H](NC(=O)N1C[C@H](C)C[C@@H]1c1cccnc1)c1cccs1 ZINC000182889386 337190591 /nfs/dbraw/zinc/19/05/91/337190591.db2.gz ULFDQLZFSGRYDQ-VNHYZAJKSA-N 0 0 315.442 3.997 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ncc(C(C)C)s1 ZINC000183060664 337191209 /nfs/dbraw/zinc/19/12/09/337191209.db2.gz JBWJOHRUBFYPQR-AWEZNQCLSA-N 0 0 318.490 3.954 10 0 DHAERN CCc1nccn1[C@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183060832 337191254 /nfs/dbraw/zinc/19/12/54/337191254.db2.gz LCTIOYWTOYLELO-AWEZNQCLSA-N 0 0 318.490 3.863 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC(c3ccnn3C)CC2)CC(C)(C)C1 ZINC000183885283 337195174 /nfs/dbraw/zinc/19/51/74/337195174.db2.gz FQWLMRRINLDFED-HOCLYGCPSA-N 0 0 317.477 3.589 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)CC(C)(C)C1 ZINC000183886086 337195184 /nfs/dbraw/zinc/19/51/84/337195184.db2.gz ZOQQCESPTCHYIJ-HIFRSBDPSA-N 0 0 303.450 3.578 10 0 DHAERN CCc1csc([C@@H]2CCC[N@H+](C[C@@H]3CCC(C)(C)O3)C2)n1 ZINC000184668264 337199687 /nfs/dbraw/zinc/19/96/87/337199687.db2.gz TYKABSDWYFIXGU-HIFRSBDPSA-N 0 0 308.491 3.843 10 0 DHAERN Cc1nnc([C@H](C)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)[nH]1 ZINC000392356145 337205124 /nfs/dbraw/zinc/20/51/24/337205124.db2.gz SVLVBHJPQDBXPF-BQBZGAKWSA-N 0 0 317.195 3.971 10 0 DHAERN C[C@H](NC(=O)[C@H](C)Sc1cccc(O)c1)c1ccccc1 ZINC000185695579 337250281 /nfs/dbraw/zinc/25/02/81/337250281.db2.gz NOFSQJDEHWKIKQ-STQMWFEESA-N 0 0 301.411 3.750 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@@H]1C ZINC000185947023 337251849 /nfs/dbraw/zinc/25/18/49/337251849.db2.gz FKXOTNGOINFDDC-RCBQFDQVSA-N 0 0 303.450 3.527 10 0 DHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccnc2ccncc21 ZINC000187013594 337261085 /nfs/dbraw/zinc/26/10/85/337261085.db2.gz ULTDCFUEOSVELP-KRWDZBQOSA-N 0 0 323.783 3.701 10 0 DHAERN O=C(CCc1ccccn1)N1CCSc2ccc(Cl)cc21 ZINC000062878348 337261284 /nfs/dbraw/zinc/26/12/84/337261284.db2.gz JUKWJKCLFRNBRT-UHFFFAOYSA-N 0 0 318.829 3.807 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1csc(C(F)(F)F)n1 ZINC000187905656 337268668 /nfs/dbraw/zinc/26/86/68/337268668.db2.gz JCKUVCQBFIYRCA-SECBINFHSA-N 0 0 314.332 3.961 10 0 DHAERN Cc1ccc(CN(C(=O)[C@H]2CCCO[C@H]2C)C2CC2)cc1C ZINC000187997651 337270794 /nfs/dbraw/zinc/27/07/94/337270794.db2.gz DVMUQACLYAKERN-YJBOKZPZSA-N 0 0 301.430 3.610 10 0 DHAERN CSC1(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000188274886 337272531 /nfs/dbraw/zinc/27/25/31/337272531.db2.gz FBAIXNHUHSPDMA-AWEZNQCLSA-N 0 0 317.454 3.835 10 0 DHAERN Cc1ccc(-c2c[nH]cc2C(=O)N[C@H]2COc3ccccc32)s1 ZINC000188797525 337275037 /nfs/dbraw/zinc/27/50/37/337275037.db2.gz ADEDWQQFMURQEX-HNNXBMFYSA-N 0 0 324.405 3.915 10 0 DHAERN C[C@@H]([NH2+]Cc1cncc(F)c1)c1cccc(Br)c1 ZINC000230938475 337275237 /nfs/dbraw/zinc/27/52/37/337275237.db2.gz KJLYXTGCANRANP-SNVBAGLBSA-N 0 0 309.182 3.834 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3ccc(Cl)cc3F)C2)no1 ZINC000189000687 337276274 /nfs/dbraw/zinc/27/62/74/337276274.db2.gz CJCISEKOECECSD-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN Fc1ccccc1-c1noc(CN2CCC[C@@H]2c2ccco2)n1 ZINC000189033592 337276469 /nfs/dbraw/zinc/27/64/69/337276469.db2.gz YUDOWOYHCQDLQO-CQSZACIVSA-N 0 0 313.332 3.806 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)c1ccc(C2CCC2)cc1 ZINC000188958240 337276943 /nfs/dbraw/zinc/27/69/43/337276943.db2.gz VSEZVMOAVBYIRF-IBGZPJMESA-N 0 0 323.440 3.764 10 0 DHAERN CC[C@@H](NC(=O)c1ncccc1Br)c1ccccc1 ZINC000231763036 337278148 /nfs/dbraw/zinc/27/81/48/337278148.db2.gz VWRHICRQLHZUQX-CYBMUJFWSA-N 0 0 319.202 3.725 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@H]1CCCO[C@@H]1C ZINC000189771570 337281980 /nfs/dbraw/zinc/28/19/80/337281980.db2.gz OOWQNNRTBHCYRJ-MJBXVCDLSA-N 0 0 324.490 3.909 10 0 DHAERN Clc1ccc(/C=C/CN2CCCC[C@H]2c2nc[nH]n2)cc1 ZINC000189803014 337283089 /nfs/dbraw/zinc/28/30/89/337283089.db2.gz AMSRNIZGRZPXLA-BWPKMQGJSA-N 0 0 302.809 3.699 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1Br ZINC000191724118 337299583 /nfs/dbraw/zinc/29/95/83/337299583.db2.gz VVHIYZKUWJUAGZ-CMPLNLGQSA-N 0 0 312.207 3.511 10 0 DHAERN CCn1cc([C@@H]2CN(Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704552 337300728 /nfs/dbraw/zinc/30/07/28/337300728.db2.gz KEQYKHKCEONRBI-IBGZPJMESA-N 0 0 313.445 3.600 10 0 DHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000025144534 337300934 /nfs/dbraw/zinc/30/09/34/337300934.db2.gz XNGCZOUERGBZJN-VXGBXAGGSA-N 0 0 303.299 3.985 10 0 DHAERN O=C(c1ccc2cc[nH]c2c1)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192065178 337302336 /nfs/dbraw/zinc/30/23/36/337302336.db2.gz XKJRSRGKJSEGLE-QGZVFWFLSA-N 0 0 306.365 3.604 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000192882600 337307950 /nfs/dbraw/zinc/30/79/50/337307950.db2.gz WNXPHWWNORDSKD-JTQLQIEISA-N 0 0 312.797 3.667 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(Cl)c3C)C2)c1 ZINC000192879694 337307959 /nfs/dbraw/zinc/30/79/59/337307959.db2.gz ARUHNDOODZVGGE-CQSZACIVSA-N 0 0 317.820 3.631 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CCc3[nH]c4ccccc4c3C2)o1 ZINC000193264289 337309644 /nfs/dbraw/zinc/30/96/44/337309644.db2.gz YQLUHYRMWGIEQO-CYBMUJFWSA-N 0 0 323.396 3.898 10 0 DHAERN O[C@@H](C[C@@H]1c2ncccc2-c2cncn21)C1CCC2(CC2)CC1 ZINC000584590450 337369656 /nfs/dbraw/zinc/36/96/56/337369656.db2.gz OEDPOSRKYMLFOV-WBVHZDCISA-N 0 0 309.413 3.569 10 0 DHAERN COC(=O)[C@H]1CCCC[C@@H]1c1nc(C)sc1Br ZINC000584600425 337370692 /nfs/dbraw/zinc/37/06/92/337370692.db2.gz MIQOAIMWYBOCOF-IUCAKERBSA-N 0 0 318.236 3.661 10 0 DHAERN CCOC(=O)N(CCOc1ccccc1)OCc1ccccc1 ZINC000584600874 337370840 /nfs/dbraw/zinc/37/08/40/337370840.db2.gz KPFKWOKGNIZHSR-UHFFFAOYSA-N 0 0 315.369 3.656 10 0 DHAERN C[Si](C)(C)CCOC(=O)NCCCCCCCCCO ZINC000584600841 337370868 /nfs/dbraw/zinc/37/08/68/337370868.db2.gz DTPSDSKNAJDCOI-UHFFFAOYSA-N 0 0 303.519 3.774 10 0 DHAERN FCCOc1cccc2cc(-n3ccc4ccncc43)ncc21 ZINC000584605647 337371625 /nfs/dbraw/zinc/37/16/25/337371625.db2.gz HOIAPPQYNAWWQM-UHFFFAOYSA-N 0 0 307.328 3.922 10 0 DHAERN CN(C)c1cc(C(=O)N2CCCC[C@@H](c3ccccc3)C2)ccn1 ZINC000584606551 337371728 /nfs/dbraw/zinc/37/17/28/337371728.db2.gz YZNMXVANJWHHTB-GOSISDBHSA-N 0 0 323.440 3.558 10 0 DHAERN Cc1[nH]c2nccc(N3CCOCC3)c2c1-c1ccccc1F ZINC000584620074 337371941 /nfs/dbraw/zinc/37/19/41/337371941.db2.gz FNRAHNQBCOHSCR-UHFFFAOYSA-N 0 0 311.360 3.514 10 0 DHAERN Cn1cc(-c2c[nH]c3nccc(-c4cc(F)cc(F)c4)c23)cn1 ZINC000584620225 337372043 /nfs/dbraw/zinc/37/20/43/337372043.db2.gz XVJSAWWTFIILFK-UHFFFAOYSA-N 0 0 310.307 3.909 10 0 DHAERN FC(F)(I)C(F)(F)c1ccccc1 ZINC000584613785 337372491 /nfs/dbraw/zinc/37/24/91/337372491.db2.gz HBVVFOJVOWYZDH-UHFFFAOYSA-N 0 0 304.024 3.806 10 0 DHAERN CCc1cnccc1-c1cnc2cc3c(cc2n1)OC(F)(F)O3 ZINC000584615342 337372731 /nfs/dbraw/zinc/37/27/31/337372731.db2.gz YKOHHHXRRSVOKP-UHFFFAOYSA-N 0 0 315.279 3.576 10 0 DHAERN O=C(Oc1ccccc1)N1CC[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000584620847 337374847 /nfs/dbraw/zinc/37/48/47/337374847.db2.gz GJZSCQYYDVDQNI-DOTOQJQBSA-N 0 0 315.344 3.523 10 0 DHAERN COc1ccccc1[C@@H](O)[C@H](c1ccccc1)c1ccccn1 ZINC000584629661 337376578 /nfs/dbraw/zinc/37/65/78/337376578.db2.gz NPIGANGUIZQIKO-WOJBJXKFSA-N 0 0 305.377 3.956 10 0 DHAERN Nc1ccccc1NC(=O)Cc1ccc(Oc2ccccc2)nc1 ZINC000584656581 337378054 /nfs/dbraw/zinc/37/80/54/337378054.db2.gz AKPILRXEZJNUCD-UHFFFAOYSA-N 0 0 319.364 3.637 10 0 DHAERN Fc1ccc(Nc2nc(-c3cnc4ccccn43)ncc2F)cc1 ZINC000584661237 337378353 /nfs/dbraw/zinc/37/83/53/337378353.db2.gz YPJCEKHRAJFUAT-UHFFFAOYSA-N 0 0 323.306 3.813 10 0 DHAERN CC(C)N(N)CC[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000584637529 337379482 /nfs/dbraw/zinc/37/94/82/337379482.db2.gz XGVRBNVHVRLOTI-LBPRGKRZSA-N 0 0 306.841 3.663 10 0 DHAERN COC(=O)[C@H](C)c1cccc(C(F)(F)F)c1Br ZINC000584647275 337380334 /nfs/dbraw/zinc/38/03/34/337380334.db2.gz VJOQHPDLGLJTPY-ZCFIWIBFSA-N 0 0 311.097 3.744 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC000105847359 337386795 /nfs/dbraw/zinc/38/67/95/337386795.db2.gz YRGILQYIJFOGGP-INIZCTEOSA-N 0 0 303.450 3.671 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccccc1Cl ZINC000105846295 337386871 /nfs/dbraw/zinc/38/68/71/337386871.db2.gz YSLDCCFCXSJZRD-HNNXBMFYSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000105847226 337386875 /nfs/dbraw/zinc/38/68/75/337386875.db2.gz WJPUITQPDSEEGF-NSHDSACASA-N 0 0 323.849 3.729 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000106213294 337387047 /nfs/dbraw/zinc/38/70/47/337387047.db2.gz RWPNKKKZJLOSDV-OAHLLOKOSA-N 0 0 318.490 3.863 10 0 DHAERN O=C(c1cnc(-c2ccccc2)nc1)N1CCC[C@@H]1c1ccco1 ZINC000116047312 337392233 /nfs/dbraw/zinc/39/22/33/337392233.db2.gz GPYNNEXXJREVBF-MRXNPFEDSA-N 0 0 319.364 3.714 10 0 DHAERN Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H]3c3ccco3)c21 ZINC000116048502 337392269 /nfs/dbraw/zinc/39/22/69/337392269.db2.gz MFPQBIWGNCMRDK-INIZCTEOSA-N 0 0 308.381 3.976 10 0 DHAERN CCC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116042988 337392303 /nfs/dbraw/zinc/39/23/03/337392303.db2.gz ZOTMEXCBPCGORG-OAHLLOKOSA-N 0 0 312.369 3.605 10 0 DHAERN COc1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1F ZINC000116048957 337392385 /nfs/dbraw/zinc/39/23/85/337392385.db2.gz DFCCYVXCIGOENF-HNNXBMFYSA-N 0 0 317.360 3.724 10 0 DHAERN Cc1cc(N2CCC[C@H]2c2ccco2)nc(-c2ccncc2)n1 ZINC000116263039 337392455 /nfs/dbraw/zinc/39/24/55/337392455.db2.gz CYLXPVDRYNRGQR-HNNXBMFYSA-N 0 0 306.369 3.782 10 0 DHAERN O=C(NCCCOC1CCCCC1)N1CCC[C@H]1c1ccco1 ZINC000116414797 337392712 /nfs/dbraw/zinc/39/27/12/337392712.db2.gz UFXDMEGLEQFDQT-INIZCTEOSA-N 0 0 320.433 3.866 10 0 DHAERN COc1cc(CNC(=O)N2CCC[C@@H]2c2ccco2)ccc1C ZINC000116536319 337392777 /nfs/dbraw/zinc/39/27/77/337392777.db2.gz OXCRSUIHGHBXOP-OAHLLOKOSA-N 0 0 314.385 3.643 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)/C=C/C1CCCCC1 ZINC000117793083 337393714 /nfs/dbraw/zinc/39/37/14/337393714.db2.gz JWVVNHQPJRBJBX-FMQWLBJXSA-N 0 0 315.461 3.837 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2csc(Br)c2)o1 ZINC000037498920 337395570 /nfs/dbraw/zinc/39/55/70/337395570.db2.gz MOCIRWVKIVNEJS-QMMMGPOBSA-N 0 0 314.204 3.903 10 0 DHAERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CCC[C@@H]1c1ccco1 ZINC000123530270 337399704 /nfs/dbraw/zinc/39/97/04/337399704.db2.gz TZCMSRVVCASSSM-FAJBIJEISA-N 0 0 322.408 3.712 10 0 DHAERN CCn1cc(C2CCN(C(=O)[C@H](C)CC3CCCC3)CC2)cn1 ZINC000123764305 337401106 /nfs/dbraw/zinc/40/11/06/337401106.db2.gz KTLXOYTWVDXXFE-OAHLLOKOSA-N 0 0 317.477 3.825 10 0 DHAERN CN(CCCc1ccccc1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000043164628 337409971 /nfs/dbraw/zinc/40/99/71/337409971.db2.gz SAWHKAKHNKIRQZ-SFHVURJKSA-N 0 0 324.424 3.784 10 0 DHAERN Cc1cc(F)ccc1NC(=O)N[C@H]1CCOc2ccccc21 ZINC000043420880 337411401 /nfs/dbraw/zinc/41/14/01/337411401.db2.gz RMNCYEMQWXCPGZ-HNNXBMFYSA-N 0 0 300.333 3.779 10 0 DHAERN Cc1cccc2c(CC(=O)N3CCC[C@H]3c3ccco3)c[nH]c21 ZINC000127151650 337419449 /nfs/dbraw/zinc/41/94/49/337419449.db2.gz XFRONXZHZRFLGW-INIZCTEOSA-N 0 0 308.381 3.976 10 0 DHAERN C[C@@H](N[C@H](C)c1ccc(F)cc1Cl)c1nnc2n1CCCC2 ZINC000130890587 337434932 /nfs/dbraw/zinc/43/49/32/337434932.db2.gz ILVBZMDTZDNYDY-GHMZBOCLSA-N 0 0 322.815 3.819 10 0 DHAERN CCCc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130936704 337435335 /nfs/dbraw/zinc/43/53/35/337435335.db2.gz MRIMTPRUEFZFRA-LSDHHAIUSA-N 0 0 312.461 3.979 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(F)cc3)on2)o1 ZINC000132605492 337442623 /nfs/dbraw/zinc/44/26/23/337442623.db2.gz KFYUMKFHKKTCAJ-NSHDSACASA-N 0 0 314.316 3.873 10 0 DHAERN O=C(c1cccs1)N1CCC[C@H](COc2ccccc2)C1 ZINC000062555128 337460188 /nfs/dbraw/zinc/46/01/88/337460188.db2.gz YWJZVUJKDCLJQA-AWEZNQCLSA-N 0 0 301.411 3.679 10 0 DHAERN CCn1c(C)nnc1CSc1ccc(Br)cc1 ZINC000194658604 337463039 /nfs/dbraw/zinc/46/30/39/337463039.db2.gz GALJENJDDDONGI-UHFFFAOYSA-N 0 0 312.236 3.661 10 0 DHAERN O=C(N[C@@H]1CCCc2cc(F)ccc21)[C@@H]1CCCc2cccnc21 ZINC000194804394 337463846 /nfs/dbraw/zinc/46/38/46/337463846.db2.gz AINWODKMQMCNIZ-QZTJIDSGSA-N 0 0 324.399 3.834 10 0 DHAERN Cc1ccc(C(C)(C)CN[C@@H](c2ncc[nH]2)c2cccnc2)cc1 ZINC000195023816 337464576 /nfs/dbraw/zinc/46/45/76/337464576.db2.gz CZJVMWPRYDVDTG-GOSISDBHSA-N 0 0 320.440 3.770 10 0 DHAERN CCc1nnc(CN([C@@H](C)c2ccccc2Cl)C2CC2)n1C ZINC000195086990 337464784 /nfs/dbraw/zinc/46/47/84/337464784.db2.gz BQBPHXBLGVPMCA-LBPRGKRZSA-N 0 0 318.852 3.757 10 0 DHAERN c1coc(-c2nnc(CN3CCCC[C@@H]3c3nccs3)o2)c1 ZINC000195368830 337466380 /nfs/dbraw/zinc/46/63/80/337466380.db2.gz JIVCFJXLNSRLNJ-LLVKDONJSA-N 0 0 316.386 3.513 10 0 DHAERN CCCCc1nc(CN2CCO[C@H](c3nccs3)C2)cs1 ZINC000195521879 337468065 /nfs/dbraw/zinc/46/80/65/337468065.db2.gz GQNMLORMZMWWCO-ZDUSSCGKSA-N 0 0 323.487 3.516 10 0 DHAERN O=C(c1cccc2ccccc21)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238814849 337470703 /nfs/dbraw/zinc/47/07/03/337470703.db2.gz BEWZCKWSMACPON-MRXNPFEDSA-N 0 0 318.376 3.528 10 0 DHAERN Clc1cnc(CN2CCO[C@H]3CCCC[C@H]32)c(Cl)c1 ZINC000245618627 337478141 /nfs/dbraw/zinc/47/81/41/337478141.db2.gz ZKOHSRFCDYEYOY-KGLIPLIRSA-N 0 0 301.217 3.532 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)c(Cl)c1 ZINC000246119272 337510698 /nfs/dbraw/zinc/51/06/98/337510698.db2.gz YJJNLFNGTJQEKD-JRKPZEMJSA-N 0 0 302.201 3.738 10 0 DHAERN C[C@H](C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1)c1cccs1 ZINC000246446915 337548727 /nfs/dbraw/zinc/54/87/27/337548727.db2.gz DYVRHQRDBCWWJW-BFHYXJOUSA-N 0 0 319.426 3.559 10 0 DHAERN O=C(Nc1cccc(Cl)c1)N[C@H]1CCOc2ccccc21 ZINC000074908162 337552749 /nfs/dbraw/zinc/55/27/49/337552749.db2.gz ZQQAHZLGDDTLAT-AWEZNQCLSA-N 0 0 302.761 3.985 10 0 DHAERN CC[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000247178838 337558263 /nfs/dbraw/zinc/55/82/63/337558263.db2.gz ZBRWDAROWHAATF-KPFFTGBYSA-N 0 0 315.457 3.724 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CCCO[C@H]2C)o1 ZINC000249508906 337570505 /nfs/dbraw/zinc/57/05/05/337570505.db2.gz JVXFQCOHWSFOIB-BPUTZDHNSA-N 0 0 305.418 3.711 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C)oc3C)C2)cc1 ZINC000078187340 337592236 /nfs/dbraw/zinc/59/22/36/337592236.db2.gz RVFAXDJPVUJCJR-MLGOLLRUSA-N 0 0 313.397 3.923 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CCCC1 ZINC000188784114 337603173 /nfs/dbraw/zinc/60/31/73/337603173.db2.gz GGBVIQKEUSGUDM-PBHICJAKSA-N 0 0 319.420 3.569 10 0 DHAERN Oc1cccc2c1CCC[C@H]2c1nc(COc2ccccc2)no1 ZINC000191575643 337681970 /nfs/dbraw/zinc/68/19/70/337681970.db2.gz RWCYGAMALVZNDZ-MRXNPFEDSA-N 0 0 322.364 3.822 10 0 DHAERN CCCCCC[C@@H](CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081579372 337725959 /nfs/dbraw/zinc/72/59/59/337725959.db2.gz WTQCRRGHOHSKGQ-CABCVRRESA-N 0 0 306.454 3.534 10 0 DHAERN CCCCC1CCC(NC(=O)[C@@H]2CCCn3ccnc32)CC1 ZINC000081590701 337726727 /nfs/dbraw/zinc/72/67/27/337726727.db2.gz BCNQZTJZZXRNLD-UYSNPLJNSA-N 0 0 303.450 3.626 10 0 DHAERN O=C(c1cc(Cl)ccc1Cl)N1CCO[C@@H]2CCCC[C@H]21 ZINC000046486548 337836184 /nfs/dbraw/zinc/83/61/84/337836184.db2.gz XJKQBSUWMJEBLI-ZIAGYGMSSA-N 0 0 314.212 3.777 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000117254517 337846886 /nfs/dbraw/zinc/84/68/86/337846886.db2.gz VOUXHHIAJPSIDA-IRXDYDNUSA-N 0 0 305.466 3.962 10 0 DHAERN CO[C@H](C(=O)N[C@@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000088234765 337860115 /nfs/dbraw/zinc/86/01/15/337860115.db2.gz VBVXASIXYIQSRK-GUYCJALGSA-N 0 0 301.361 3.699 10 0 DHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000119839119 337864914 /nfs/dbraw/zinc/86/49/14/337864914.db2.gz DWBHYWVDHVAWOB-CABZTGNLSA-N 0 0 309.797 3.609 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)cc1C ZINC000089918415 337875679 /nfs/dbraw/zinc/87/56/79/337875679.db2.gz XVUKRKHMZVDHRO-KZULUSFZSA-N 0 0 309.365 3.701 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)cc1C ZINC000089918416 337875720 /nfs/dbraw/zinc/87/57/20/337875720.db2.gz XVUKRKHMZVDHRO-SGTLLEGYSA-N 0 0 309.365 3.701 10 0 DHAERN Cc1ccc([C@H]2CN(Cc3cc(F)c(F)cc3F)CCO2)o1 ZINC000093865102 337922530 /nfs/dbraw/zinc/92/25/30/337922530.db2.gz LWTAVLLRMLIMHE-MRXNPFEDSA-N 0 0 311.303 3.579 10 0 DHAERN Cc1ccc(N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1Br ZINC000085638492 338011047 /nfs/dbraw/zinc/01/10/47/338011047.db2.gz MWJJYPSDEMFFBV-UBHSHLNASA-N 0 0 310.235 3.983 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2COc3ccccc32)cc1F ZINC000154553474 338245864 /nfs/dbraw/zinc/24/58/64/338245864.db2.gz VCDQPZMAKDJISH-LRDDRELGSA-N 0 0 314.360 3.628 10 0 DHAERN O=C(NCc1ccn(C2CCCC2)n1)[C@H]1C[C@H]1C1CCCCC1 ZINC000156658732 338377131 /nfs/dbraw/zinc/37/71/31/338377131.db2.gz YRSUGKHQWSZHLV-ROUUACIJSA-N 0 0 315.461 3.831 10 0 DHAERN COc1c(CNc2cc(Cl)cc(Cl)c2)c(C)nn1C ZINC000164836419 339052630 /nfs/dbraw/zinc/05/26/30/339052630.db2.gz KAGQJYODWPBCHX-UHFFFAOYSA-N 0 0 300.189 3.656 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)CCCc1cccs1 ZINC000172962594 340350302 /nfs/dbraw/zinc/35/03/02/340350302.db2.gz NKAZBARDJSBIDN-OAHLLOKOSA-N 0 0 317.454 3.792 10 0 DHAERN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@@H](C)COC ZINC000173870952 340376304 /nfs/dbraw/zinc/37/63/04/340376304.db2.gz AXQZPFMRKSUVAJ-GOEBONIOSA-N 0 0 307.434 3.571 10 0 DHAERN C[C@@H](NC(=O)Nc1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000174264999 340385052 /nfs/dbraw/zinc/38/50/52/340385052.db2.gz GOKVNTWCLWOMLP-CYBMUJFWSA-N 0 0 324.359 3.894 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N[C@H](C)c1ccccc1 ZINC000174536953 340391161 /nfs/dbraw/zinc/39/11/61/340391161.db2.gz HRYIHLDPLWFPKD-HZPDHXFCSA-N 0 0 312.413 3.652 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)NCc2nc(C)c(C)s2)cc1 ZINC000174552513 340391379 /nfs/dbraw/zinc/39/13/79/340391379.db2.gz UMROHHJAKIEWOB-LBPRGKRZSA-N 0 0 317.458 3.883 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@H]1C)c1ccccc1Br ZINC000174555356 340391432 /nfs/dbraw/zinc/39/14/32/340391432.db2.gz KZTAWQDAKMQKJJ-GHMZBOCLSA-N 0 0 311.223 3.704 10 0 DHAERN C[C@H](CCc1cccn1C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174590304 340392422 /nfs/dbraw/zinc/39/24/22/340392422.db2.gz BXGFFXBRTMGINH-ZTFGCOKTSA-N 0 0 302.462 3.679 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@@H]1C)c1ccc(OC(F)(F)F)cc1 ZINC000174980354 340400493 /nfs/dbraw/zinc/40/04/93/340400493.db2.gz JKGFDLBNIJAMCS-WDEREUQCSA-N 0 0 316.323 3.840 10 0 DHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2cccs2)s1 ZINC000175359257 340410641 /nfs/dbraw/zinc/41/06/41/340410641.db2.gz DXOOABNDWFZCIX-WPRPVWTQSA-N 0 0 310.444 3.711 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000175565729 340415169 /nfs/dbraw/zinc/41/51/69/340415169.db2.gz ZEWVEEYUZDVKCB-SNVBAGLBSA-N 0 0 323.314 3.992 10 0 DHAERN CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1COc2ccccc21 ZINC000176043659 340424782 /nfs/dbraw/zinc/42/47/82/340424782.db2.gz BGSCZURYGREBEY-SJLPKXTDSA-N 0 0 324.424 3.783 10 0 DHAERN CCC1(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CCCC1 ZINC000176333392 340426631 /nfs/dbraw/zinc/42/66/31/340426631.db2.gz VVUHQGMKMFFVHP-ZDUSSCGKSA-N 0 0 303.402 3.605 10 0 DHAERN CC(C)CCn1ccc(NC(=O)N[C@H](C)c2cccs2)n1 ZINC000178703461 340451562 /nfs/dbraw/zinc/45/15/62/340451562.db2.gz UTJBKQOLXXWSAH-GFCCVEGCSA-N 0 0 306.435 3.873 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088786172 340463178 /nfs/dbraw/zinc/46/31/78/340463178.db2.gz BCMJHEOSDJZNJR-STQMWFEESA-N 0 0 312.454 3.978 10 0 DHAERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCCC2(CC2)C1 ZINC000185614099 340503487 /nfs/dbraw/zinc/50/34/87/340503487.db2.gz WUYHXMOCMGDLCC-HNNXBMFYSA-N 0 0 304.821 3.913 10 0 DHAERN Cc1ccc(CNC(=O)[C@@H]2CCCO[C@@H]2C)c(OC(C)(C)C)c1 ZINC000189183690 340528917 /nfs/dbraw/zinc/52/89/17/340528917.db2.gz NXUDOIIBPXYKFG-GDBMZVCRSA-N 0 0 319.445 3.604 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000190753373 340546857 /nfs/dbraw/zinc/54/68/57/340546857.db2.gz NTDITQSHNNMBSW-GRYCIOLGSA-N 0 0 324.412 3.645 10 0 DHAERN Cc1cccc(C2(NC(=O)[C@H]3CCCO[C@@H]3C)CCCC2)c1 ZINC000191132190 340550374 /nfs/dbraw/zinc/55/03/74/340550374.db2.gz TVWZJWJRVRXRNZ-WBVHZDCISA-N 0 0 301.430 3.696 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NC1(c2ccc(F)cc2)CCCC1 ZINC000191131178 340550485 /nfs/dbraw/zinc/55/04/85/340550485.db2.gz YBUAPRRCAORJBZ-BBRMVZONSA-N 0 0 305.393 3.526 10 0 DHAERN COCCNc1ccccc1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000191242243 340551825 /nfs/dbraw/zinc/55/18/25/340551825.db2.gz PWYYLECCSOIBDU-HZPDHXFCSA-N 0 0 316.445 3.900 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCCc2c(Cl)ccc(F)c21 ZINC000191899826 340560046 /nfs/dbraw/zinc/56/00/46/340560046.db2.gz MQIGFAFEYCGPGR-GHMZBOCLSA-N 0 0 311.784 3.573 10 0 DHAERN CCc1nnc(CSc2c(Cl)cccc2Cl)n1C ZINC000194652373 340594400 /nfs/dbraw/zinc/59/44/00/340594400.db2.gz PVKNCKCIRXFOOA-UHFFFAOYSA-N 0 0 302.230 3.977 10 0 DHAERN CC(C)Oc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000194733489 340595409 /nfs/dbraw/zinc/59/54/09/340595409.db2.gz IFSLQKIMABNNMR-OAHLLOKOSA-N 0 0 312.369 3.729 10 0 DHAERN O=C(CSc1ccccc1Cl)N[C@H]1COc2ccccc21 ZINC000194861986 340596649 /nfs/dbraw/zinc/59/66/49/340596649.db2.gz YWCMXLXOSQHHEB-ZDUSSCGKSA-N 0 0 319.813 3.682 10 0 DHAERN O=C(CCc1ccc(Cl)cc1)N[C@H]1COc2ccccc21 ZINC000194867542 340596693 /nfs/dbraw/zinc/59/66/93/340596693.db2.gz ZZXGIOGJSONMDI-HNNXBMFYSA-N 0 0 301.773 3.523 10 0 DHAERN CC(C)CCOc1ccc([C@@H](C)NC(=O)C[C@@H]2CCCO2)cc1 ZINC000194874596 340596742 /nfs/dbraw/zinc/59/67/42/340596742.db2.gz NPZGZXTUTVIRGJ-QAPCUYQASA-N 0 0 319.445 3.858 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)NCc1sccc1Br ZINC000230057472 340617872 /nfs/dbraw/zinc/61/78/72/340617872.db2.gz AMAYUIDHLGDUAT-DTWKUNHWSA-N 0 0 302.237 3.563 10 0 DHAERN Cc1nc(N[C@H]2COc3ccccc32)ccc1Br ZINC000236002235 340662093 /nfs/dbraw/zinc/66/20/93/340662093.db2.gz DPYGYUZUEWVRDV-LBPRGKRZSA-N 0 0 305.175 3.698 10 0 DHAERN CC(=O)c1cccc(NC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000043237975 340709844 /nfs/dbraw/zinc/70/98/44/340709844.db2.gz KUYSRAHAQWSEKI-MRXNPFEDSA-N 0 0 310.353 3.535 10 0 DHAERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000082340615 340711734 /nfs/dbraw/zinc/71/17/34/340711734.db2.gz FYDIHEVIUICMLP-CZUORRHYSA-N 0 0 308.381 3.671 10 0 DHAERN COC(=O)[C@@H](CC(C)C)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000036980179 340725839 /nfs/dbraw/zinc/72/58/39/340725839.db2.gz SRWKVDKRWFOKEW-IINYFYTJSA-N 0 0 301.789 3.717 10 0 DHAERN Nc1cccc2c1CCCN2Cc1cccc(Br)c1 ZINC000037905829 340787925 /nfs/dbraw/zinc/78/79/25/340787925.db2.gz FQZMJADUMZCKRT-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2cc(F)c(OC)cc2F)cc1 ZINC000125171803 340802622 /nfs/dbraw/zinc/80/26/22/340802622.db2.gz WYCRLYILTSTAJY-JTQLQIEISA-N 0 0 321.323 3.724 10 0 DHAERN Cc1ccccc1CC(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000128292101 340865638 /nfs/dbraw/zinc/86/56/38/340865638.db2.gz HCZDEDXIVNHZOG-MRXNPFEDSA-N 0 0 321.342 3.827 10 0 DHAERN COc1ccc(CCCC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000128664882 340903963 /nfs/dbraw/zinc/90/39/63/340903963.db2.gz QWUPKKLZIRDJSS-AWEZNQCLSA-N 0 0 301.386 3.797 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2Cl)O1 ZINC000130440917 341021878 /nfs/dbraw/zinc/02/18/78/341021878.db2.gz WCSQDWUHRXVKRL-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN Cn1c(CSc2ccc(Br)cc2)nnc1C1CC1 ZINC000130464867 341022312 /nfs/dbraw/zinc/02/23/12/341022312.db2.gz GTUBAXJKLOBWLG-UHFFFAOYSA-N 0 0 324.247 3.747 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000131848226 341112651 /nfs/dbraw/zinc/11/26/51/341112651.db2.gz ATWXBNCMLCGSEP-RYUDHWBXSA-N 0 0 302.340 3.920 10 0 DHAERN COc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000073434205 341116803 /nfs/dbraw/zinc/11/68/03/341116803.db2.gz RACHOGUHRRVJMU-MNOVXSKESA-N 0 0 301.308 3.546 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)N1CCCC1 ZINC000132348694 341121116 /nfs/dbraw/zinc/12/11/16/341121116.db2.gz BSXXPGCUJSCFNL-GXFFZTMASA-N 0 0 313.228 3.902 10 0 DHAERN CCCC(C)(C)NC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000074876392 341154145 /nfs/dbraw/zinc/15/41/45/341154145.db2.gz UCROMCWROMOHEP-CQSZACIVSA-N 0 0 314.433 3.811 10 0 DHAERN COCc1ccccc1CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000134214642 341209648 /nfs/dbraw/zinc/20/96/48/341209648.db2.gz OHILYNSLSDEDPS-MSOLQXFVSA-N 0 0 301.430 3.666 10 0 DHAERN C[C@@]1(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)CCCC[NH2+]1 ZINC000136150304 341253831 /nfs/dbraw/zinc/25/38/31/341253831.db2.gz XLUAFVSCGUGIHU-BBRMVZONSA-N 0 0 324.877 3.525 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)C1CCC(c2ccccc2)CC1 ZINC000080430464 341273543 /nfs/dbraw/zinc/27/35/43/341273543.db2.gz JUCFVERORCXISZ-RCDYEMGKSA-N 0 0 301.430 3.596 10 0 DHAERN CCc1ncsc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000137971909 341286158 /nfs/dbraw/zinc/28/61/58/341286158.db2.gz LIYANZRLHCXBPI-QMMMGPOBSA-N 0 0 312.797 3.989 10 0 DHAERN C[C@H](Cc1ccccc1Cl)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000245563553 341302176 /nfs/dbraw/zinc/30/21/76/341302176.db2.gz VWKZGYIETNEUPJ-XYPHTWIQSA-N 0 0 321.848 3.689 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000245741286 341312726 /nfs/dbraw/zinc/31/27/26/341312726.db2.gz RPXDLIFUAPWLNY-KNCOVGOOSA-N 0 0 319.445 3.953 10 0 DHAERN Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H]2CC[C@@H](C)O2)c1C ZINC000246035522 341322597 /nfs/dbraw/zinc/32/25/97/341322597.db2.gz OEWRIMULCSSHEF-JLSDUUJJSA-N 0 0 301.430 3.925 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)[C@H]1COc2ccccc21 ZINC000246416841 341348073 /nfs/dbraw/zinc/34/80/73/341348073.db2.gz IEFATXBVNKTXHJ-VIBAHUMZSA-N 0 0 313.441 3.884 10 0 DHAERN C[C@H](NC(=O)[C@H]1C[C@H]1C1CC1)c1cccc(Br)c1 ZINC000246581978 341353920 /nfs/dbraw/zinc/35/39/20/341353920.db2.gz UGKPWJPVUQBCPJ-HERUPUMHSA-N 0 0 308.219 3.672 10 0 DHAERN C[C@@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1cccc(Br)c1 ZINC000247091478 341360987 /nfs/dbraw/zinc/36/09/87/341360987.db2.gz VTQKEVFLPWDZCM-QQUHWDOBSA-N 0 0 308.219 3.672 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H]2COc3ccccc32)[C@@H]1c1ccccc1 ZINC000247427665 341364794 /nfs/dbraw/zinc/36/47/94/341364794.db2.gz LOPCAISSGKBKPN-SKDZVZGDSA-N 0 0 308.381 3.523 10 0 DHAERN COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)c2cccs2)c1 ZINC000247605947 341368016 /nfs/dbraw/zinc/36/80/16/341368016.db2.gz LQZWQDJTBBPKTM-TUKIKUTGSA-N 0 0 301.411 3.738 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC[C@H]1CCCCO1)[C@@H](C)C2 ZINC000248530234 341379228 /nfs/dbraw/zinc/37/92/28/341379228.db2.gz DXECJVXYHFXKOS-ZSZQSSIHSA-N 0 0 301.430 3.694 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCO1 ZINC000248568462 341380120 /nfs/dbraw/zinc/38/01/20/341380120.db2.gz NUTOWBZNBMDYKZ-YIYPIFLZSA-N 0 0 321.383 3.819 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000249347214 341396523 /nfs/dbraw/zinc/39/65/23/341396523.db2.gz FHYMAFOSNICNID-UHOSZYNNSA-N 0 0 315.457 3.815 10 0 DHAERN CC(C)c1ccc(C[C@@H](C)NC(=O)[C@@H]2CCCO[C@H]2C)cc1 ZINC000249635181 341399978 /nfs/dbraw/zinc/39/99/78/341399978.db2.gz RNFNUKPQFDMOSG-RVKKMQEKSA-N 0 0 303.446 3.672 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCO[C@@H]1C ZINC000251219619 341414104 /nfs/dbraw/zinc/41/41/04/341414104.db2.gz XJTCWFCTLHSTGZ-YSHGAJCASA-N 0 0 315.457 3.986 10 0 DHAERN COc1ccc(N(C(=O)[C@@H]2CCCO[C@H]2C)[C@H](C)C2CC2)cc1 ZINC000251260321 341414325 /nfs/dbraw/zinc/41/43/25/341414325.db2.gz YQTRYIMYXLKMQI-QWQRMKEZSA-N 0 0 317.429 3.642 10 0 DHAERN CCC[C@H](CCO)CNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000153262538 341532342 /nfs/dbraw/zinc/53/23/42/341532342.db2.gz WXYIUJITCLHUFF-HDMKZQKVSA-N 0 0 318.461 3.723 10 0 DHAERN C[C@@H](NC(=O)[C@H](C)Nc1cc(F)c(F)c(F)c1)c1ccccc1 ZINC000153528360 341544082 /nfs/dbraw/zinc/54/40/82/341544082.db2.gz WKOMHYVBTQYGAT-MNOVXSKESA-N 0 0 322.330 3.782 10 0 DHAERN CC(C)n1nnnc1CNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000567999943 341644887 /nfs/dbraw/zinc/64/48/87/341644887.db2.gz CNSDVIDZSWJAEL-UHFFFAOYSA-N 0 0 320.611 3.826 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1csc(C(C)(C)C)n1 ZINC000176422772 341873879 /nfs/dbraw/zinc/87/38/79/341873879.db2.gz XHPFIEVZTHUBES-LLVKDONJSA-N 0 0 312.479 3.603 10 0 DHAERN Fc1ccc(-c2noc(CCOc3ccccc3F)n2)cc1F ZINC000113713498 518196026 /nfs/dbraw/zinc/19/60/26/518196026.db2.gz JFTFEZZOQMUTNA-UHFFFAOYSA-N 0 0 320.270 3.775 10 0 DHAERN O=C(c1cc(Cl)ccn1)N1CCCC[C@H]1c1nccs1 ZINC000115363345 518201944 /nfs/dbraw/zinc/20/19/44/518201944.db2.gz MXLBFWXEKXIOHZ-LBPRGKRZSA-N 0 0 307.806 3.559 10 0 DHAERN CC(C(=O)NC1(c2noc(C3CC3)n2)CCCC1)=C1CCCC1 ZINC000176687908 518500167 /nfs/dbraw/zinc/50/01/67/518500167.db2.gz CFATZCSPWGGPBP-UHFFFAOYSA-N 0 0 315.417 3.723 10 0 DHAERN CC(C)C[C@H](NCc1nnc(C(C)C)n1C)c1ccccc1 ZINC000181800132 519398975 /nfs/dbraw/zinc/39/89/75/519398975.db2.gz HWFDGFGUSGUNMM-INIZCTEOSA-N 0 0 300.450 3.816 10 0 DHAERN CC(=O)CCCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000188088423 519408795 /nfs/dbraw/zinc/40/87/95/519408795.db2.gz NCDCQXDXBXUBCY-OAHLLOKOSA-N 0 0 305.418 3.658 10 0 DHAERN CC(C)CCC[C@H](C)NC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000155014799 519647355 /nfs/dbraw/zinc/64/73/55/519647355.db2.gz LWOQTBSCGABQLP-AWEZNQCLSA-N 0 0 306.454 3.514 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000181858338 519759843 /nfs/dbraw/zinc/75/98/43/519759843.db2.gz IJMVUPCJFQQFMX-LBPRGKRZSA-N 0 0 314.376 3.530 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2ccccn2)cc1 ZINC000128229675 519840246 /nfs/dbraw/zinc/84/02/46/519840246.db2.gz QVEHGBLWZVICHD-MOPGFXCFSA-N 0 0 308.425 3.667 10 0 DHAERN CC(C)c1cccc2c1CCN(C(=O)[C@@H]1CCCO[C@@H]1C)C2 ZINC000190905659 519843765 /nfs/dbraw/zinc/84/37/65/519843765.db2.gz WCMWBQSZIDQMMC-RHSMWYFYSA-N 0 0 301.430 3.510 10 0 DHAERN CC(C)c1csc(CNC(=O)N2CCC[C@H]2c2ccco2)n1 ZINC000154312151 519853714 /nfs/dbraw/zinc/85/37/14/519853714.db2.gz WRIJXAXJLVTWID-ZDUSSCGKSA-N 0 0 319.430 3.906 10 0 DHAERN CC(C)n1ccnc1CN1CCc2cc(Br)ccc21 ZINC000337352628 520029912 /nfs/dbraw/zinc/02/99/12/520029912.db2.gz ZEJWPKKMTQGJKP-UHFFFAOYSA-N 0 0 320.234 3.789 10 0 DHAERN CC(C)n1ccnc1C[S@@](=O)CCCc1ccccc1Cl ZINC000181434647 520033052 /nfs/dbraw/zinc/03/30/52/520033052.db2.gz NNHCVNXFFVSKEP-NRFANRHFSA-N 0 0 324.877 3.999 10 0 DHAERN CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000158296408 521734369 /nfs/dbraw/zinc/73/43/69/521734369.db2.gz MEGGWQPUNOTGCR-GXFFZTMASA-N 0 0 313.850 3.749 10 0 DHAERN CCSc1ccccc1OC(=O)C1CCC(C(=O)OC)CC1 ZINC000181114246 521778238 /nfs/dbraw/zinc/77/82/38/521778238.db2.gz GJOPJKGOUCODMJ-UHFFFAOYSA-N 0 0 322.426 3.683 10 0 DHAERN COC(=O)c1ccc(Cl)c(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000182565572 522056688 /nfs/dbraw/zinc/05/66/88/522056688.db2.gz JMFJHUNFYSYPIS-NSHDSACASA-N 0 0 307.777 3.879 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H](CC)SC)C2)n1 ZINC000131115867 522113422 /nfs/dbraw/zinc/11/34/22/522113422.db2.gz VQNZTFPPZIHSAL-DGCLKSJQSA-N 0 0 312.504 3.553 10 0 DHAERN COC[C@@H](C)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 ZINC000103362736 522172207 /nfs/dbraw/zinc/17/22/07/522172207.db2.gz APIBYJQCEHSPIR-IAQYHMDHSA-N 0 0 321.467 3.566 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1OC ZINC000158915753 522175988 /nfs/dbraw/zinc/17/59/88/522175988.db2.gz ZPJQGQAZZGCZOC-CYBMUJFWSA-N 0 0 315.369 3.709 10 0 DHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccsc1 ZINC000118628357 522381855 /nfs/dbraw/zinc/38/18/55/522381855.db2.gz REKMUAXKXSFXSF-DOMZBBRYSA-N 0 0 316.426 3.531 10 0 DHAERN COC[C@H](C)C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 ZINC000103360858 522552447 /nfs/dbraw/zinc/55/24/47/522552447.db2.gz RCNHXUWAQYEMDV-AWEZNQCLSA-N 0 0 323.396 3.531 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC000179912577 522590074 /nfs/dbraw/zinc/59/00/74/522590074.db2.gz VSAJIFZUSFFKSP-CQSZACIVSA-N 0 0 317.458 3.601 10 0 DHAERN CCc1nnc(CN[C@@H](C)c2cccc(Cl)c2Cl)n1C ZINC000183751686 522742572 /nfs/dbraw/zinc/74/25/72/522742572.db2.gz MVQYWKVJLRFXDN-VIFPVBQESA-N 0 0 313.232 3.535 10 0 DHAERN CCn1cc(C2CCN(C(=O)NC3CCCCCC3)CC2)cn1 ZINC000155039892 523351863 /nfs/dbraw/zinc/35/18/63/523351863.db2.gz VZAJHSIKLXMKQR-UHFFFAOYSA-N 0 0 318.465 3.515 10 0 DHAERN CO[C@H](C)c1noc(CN[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000181405473 523923093 /nfs/dbraw/zinc/92/30/93/523923093.db2.gz IWFVNPBKROLQAE-ZIAGYGMSSA-N 0 0 317.433 3.826 10 0 DHAERN CN(C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000130456526 524025327 /nfs/dbraw/zinc/02/53/27/524025327.db2.gz ZINNUPCRIBCDCV-SJORKVTESA-N 0 0 314.429 3.543 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000189431446 524205483 /nfs/dbraw/zinc/20/54/83/524205483.db2.gz CGYKSYRLXPKIGH-RYRKJORJSA-N 0 0 301.430 3.782 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(F)ccc2SCC(F)F)O1 ZINC000155693203 524385439 /nfs/dbraw/zinc/38/54/39/524385439.db2.gz TXBXVZMLZWGMIC-GZMMTYOYSA-N 0 0 319.348 3.689 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000157099655 524708038 /nfs/dbraw/zinc/70/80/38/524708038.db2.gz BCYRLYLTUFMDLA-GUYCJALGSA-N 0 0 322.836 3.807 10 0 DHAERN Cc1cccc([C@H](NC(=O)N[C@H](C)C(C)C)c2ccccn2)c1 ZINC000124582021 524882724 /nfs/dbraw/zinc/88/27/24/524882724.db2.gz FIGBAZQUIOXMTE-QAPCUYQASA-N 0 0 311.429 3.823 10 0 DHAERN Cc1cccc2c(O)c(C(=O)N3CCC[C@H]3c3ccco3)cnc12 ZINC000163701278 524940810 /nfs/dbraw/zinc/94/08/10/524940810.db2.gz RDQOOSTYTIWWGW-HNNXBMFYSA-N 0 0 322.364 3.819 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)c1ccccc1NC(=O)OCc1ccccc1 ZINC000183009027 524961805 /nfs/dbraw/zinc/96/18/05/524961805.db2.gz VJNXMHZAEXWBSY-SUMWQHHRSA-N 0 0 324.380 3.574 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(C)Cc1csc2ccccc12 ZINC000188743506 525011702 /nfs/dbraw/zinc/01/17/02/525011702.db2.gz LHOSTLMNKSSHSR-OCCSQVGLSA-N 0 0 303.427 3.675 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1N1CCCCCC1 ZINC000191697381 525013662 /nfs/dbraw/zinc/01/36/62/525013662.db2.gz BPUCTNCLXYKDTM-CVEARBPZSA-N 0 0 316.445 3.821 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccccc1OC1CCCC1 ZINC000188943994 525015365 /nfs/dbraw/zinc/01/53/65/525015365.db2.gz QECAZEXZFYZADL-HIFRSBDPSA-N 0 0 303.402 3.762 10 0 DHAERN C[C@H](NC(=O)NC1CCSCC1)c1ccc(F)c(Cl)c1 ZINC000171179802 525055337 /nfs/dbraw/zinc/05/53/37/525055337.db2.gz PGRLMDXTZKHSSU-VIFPVBQESA-N 0 0 316.829 3.735 10 0 DHAERN C[C@H](NC(=O)NCCCCCCO)c1ccc2ccccc2c1 ZINC000181011022 525061603 /nfs/dbraw/zinc/06/16/03/525061603.db2.gz USZJUMASPXRBKR-HNNXBMFYSA-N 0 0 314.429 3.753 10 0 DHAERN Cc1ccccc1C1CCN(C(=O)[C@H]2CCCO[C@H]2C)CC1 ZINC000191398319 525090171 /nfs/dbraw/zinc/09/01/71/525090171.db2.gz MIYWWAHGQDEAPZ-YJBOKZPZSA-N 0 0 301.430 3.516 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1cc2ccccc2s1 ZINC000191451583 525141316 /nfs/dbraw/zinc/14/13/16/525141316.db2.gz HHTBAKDYOVSBME-OUCADQQQSA-N 0 0 303.427 3.894 10 0 DHAERN C[C@@H](NC(=O)N1CCSCC[C@@H]1C)c1ccc(F)c(F)c1 ZINC000190184292 525173604 /nfs/dbraw/zinc/17/36/04/525173604.db2.gz JURQNTDFWHZXAY-WDEREUQCSA-N 0 0 314.401 3.563 10 0 DHAERN Cc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)c(Br)c1 ZINC000190575711 525202882 /nfs/dbraw/zinc/20/28/82/525202882.db2.gz YBVSEDYYOLUSOR-WDEREUQCSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H](NC(=O)Nc1ccnn1C(C)(C)C)c1ccc(F)c(F)c1 ZINC000186470337 525251915 /nfs/dbraw/zinc/25/19/15/525251915.db2.gz BTKKQGWLPCOTPL-SNVBAGLBSA-N 0 0 322.359 3.799 10 0 DHAERN C[C@@H](NC(=O)Nc1ncn(C2CCCCC2)n1)c1cccs1 ZINC000184598036 525253615 /nfs/dbraw/zinc/25/36/15/525253615.db2.gz LPQPMVBNQYCGFL-LLVKDONJSA-N 0 0 319.434 3.728 10 0 DHAERN Cc1cc(NCc2cnc3c(cnn3C(C)C)c2)cnc1Cl ZINC000181853031 525282332 /nfs/dbraw/zinc/28/23/32/525282332.db2.gz ZMENWDROSAVASX-UHFFFAOYSA-N 0 0 315.808 3.981 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N(C)C[C@@H](C)c1nccs1 ZINC000184679417 525408971 /nfs/dbraw/zinc/40/89/71/525408971.db2.gz UKFOXHOVIOHJEX-KGLIPLIRSA-N 0 0 317.458 3.958 10 0 DHAERN CSCCCCCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182201789 525411926 /nfs/dbraw/zinc/41/19/26/525411926.db2.gz UZVAQUABFPKHIY-OAHLLOKOSA-N 0 0 324.494 3.570 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000190805963 525560678 /nfs/dbraw/zinc/56/06/78/525560678.db2.gz OSWVKQPVEQAPMQ-DZGCQCFKSA-N 0 0 312.369 3.628 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc(-c3ccccc3F)no2)o1 ZINC000189189975 525736021 /nfs/dbraw/zinc/73/60/21/525736021.db2.gz DEMYVGXBPICHRN-LLVKDONJSA-N 0 0 301.321 3.628 10 0 DHAERN COc1cccc(CCCSCc2nnc(C(C)C)n2C)c1 ZINC000182355534 525893262 /nfs/dbraw/zinc/89/32/62/525893262.db2.gz MNLYMGHEHXFSTD-UHFFFAOYSA-N 0 0 319.474 3.813 10 0 DHAERN Cc1ccc([C@H](C)NCc2cccc(C(=O)NCC(C)C)c2)o1 ZINC000182598319 525928859 /nfs/dbraw/zinc/92/88/59/525928859.db2.gz JFDGYSNDHZLPQN-HNNXBMFYSA-N 0 0 314.429 3.825 10 0 DHAERN COc1cccc(CN2CCCC[C@@H]2c2nccs2)c1OC ZINC000127682992 525936148 /nfs/dbraw/zinc/93/61/48/525936148.db2.gz SKCYBULSVYKWCW-CQSZACIVSA-N 0 0 318.442 3.888 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188895213 525987750 /nfs/dbraw/zinc/98/77/50/525987750.db2.gz KKADFVLFRIUGNC-PWSUYJOCSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)CC[C@@H]2CCCCO2)o1 ZINC000127625639 525991664 /nfs/dbraw/zinc/99/16/64/525991664.db2.gz CWZFPHFJCFYJIZ-JKSUJKDBSA-N 0 0 305.418 3.991 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CC2(Cl)Cl)o1 ZINC000127816867 525992907 /nfs/dbraw/zinc/99/29/07/525992907.db2.gz XSJVYQVOZRTTKS-GHMZBOCLSA-N 0 0 302.201 3.835 10 0 DHAERN Cc1ccc([C@H]2CCCCN2Cc2ncnn2CC(C)C)o1 ZINC000182808580 525994966 /nfs/dbraw/zinc/99/49/66/525994966.db2.gz NJXLNANLXHABOF-OAHLLOKOSA-N 0 0 302.422 3.563 10 0 DHAERN Cc1cnc(CN2C[C@H](c3ccccc3)OCC2(C)C)s1 ZINC000180468256 526028547 /nfs/dbraw/zinc/02/85/47/526028547.db2.gz RIWGDFZCTAAJBG-OAHLLOKOSA-N 0 0 302.443 3.804 10 0 DHAERN CSc1ccccc1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180600295 526170214 /nfs/dbraw/zinc/17/02/14/526170214.db2.gz RBXMNMCFLSYFLN-AWEZNQCLSA-N 0 0 316.430 3.891 10 0 DHAERN Cc1cc(Br)ccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190558434 526171556 /nfs/dbraw/zinc/17/15/56/526171556.db2.gz RYDRKPASBHMEMR-ZYHUDNBSSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccncc1)[C@H](C)C2 ZINC000182202292 526200950 /nfs/dbraw/zinc/20/09/50/526200950.db2.gz BQTXFJJOPULQOJ-FZKQIMNGSA-N 0 0 312.438 3.532 10 0 DHAERN COc1cccc(NCC(=O)c2ccc(Br)cc2)c1 ZINC000032173971 526207416 /nfs/dbraw/zinc/20/74/16/526207416.db2.gz OGLVPKLVMWHXSO-UHFFFAOYSA-N 0 0 320.186 3.753 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cccnc1Cl)[C@H](C)C2 ZINC000181243402 526209191 /nfs/dbraw/zinc/20/91/91/526209191.db2.gz HFISWLWHTZMELV-IAQYHMDHSA-N 0 0 300.789 3.707 10 0 DHAERN Cc1cncc([C@@H](C)N[C@H](c2nc(C3CC3)no2)C(C)C)c1 ZINC000184405653 526214257 /nfs/dbraw/zinc/21/42/57/526214257.db2.gz PLKZZOHVBMHJAS-DOMZBBRYSA-N 0 0 300.406 3.698 10 0 DHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)c3ccc(F)cc3F)C2)c1 ZINC000106219922 526266762 /nfs/dbraw/zinc/26/67/62/526266762.db2.gz CDESJZLXSCMZSM-DZGCQCFKSA-N 0 0 305.372 3.868 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C[C@@H](C)c3ccccc3)C2)c1 ZINC000105857650 526266896 /nfs/dbraw/zinc/26/68/96/526266896.db2.gz BLRDNQVESBODTK-AEFFLSMTSA-N 0 0 311.429 3.549 10 0 DHAERN Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1C ZINC000120574124 526564223 /nfs/dbraw/zinc/56/42/23/526564223.db2.gz PPRWNJVNDOADOS-STQMWFEESA-N 0 0 315.417 3.764 10 0 DHAERN O=C(c1ccccc1Cl)N1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000154339972 526802804 /nfs/dbraw/zinc/80/28/04/526802804.db2.gz GXXNNFUTYPDZIJ-DOMZBBRYSA-N 0 0 319.788 3.661 10 0 DHAERN Cc1nc(CCCC(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000175015626 526807180 /nfs/dbraw/zinc/80/71/80/526807180.db2.gz KAHLNEVNULVLNW-ZDUSSCGKSA-N 0 0 302.443 3.960 10 0 DHAERN O=C(c1cccnc1Cl)N1CCCC[C@H]1c1nccs1 ZINC000115365818 526821296 /nfs/dbraw/zinc/82/12/96/526821296.db2.gz CBKYHDKPWQPZAG-NSHDSACASA-N 0 0 307.806 3.559 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944298 526922786 /nfs/dbraw/zinc/92/27/86/526922786.db2.gz SQCFPRKWIRJKHM-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN Cc1nc2ccccc2n1C(F)(F)[C@@H](O)c1ccccc1F ZINC000057354400 527162765 /nfs/dbraw/zinc/16/27/65/527162765.db2.gz VNQNSDGAZJPWPQ-HNNXBMFYSA-N 0 0 306.287 3.767 10 0 DHAERN Cn1nccc1C1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000153314254 527598405 /nfs/dbraw/zinc/59/84/05/527598405.db2.gz SBQVTBCTWLTVNV-MRXNPFEDSA-N 0 0 317.477 3.733 10 0 DHAERN O=C(/C=C/c1ccc(O)cc1)N1CCCC[C@H]1c1nccs1 ZINC000180085586 527615025 /nfs/dbraw/zinc/61/50/25/527615025.db2.gz JGUCDMFWBBMJHV-PPYMECGQSA-N 0 0 314.410 3.616 10 0 DHAERN O=C(NCCC1=CCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000152084958 527620325 /nfs/dbraw/zinc/62/03/25/527620325.db2.gz FHRDRMCJAHQJQG-CQSZACIVSA-N 0 0 305.447 3.880 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cccc2c1CCC2 ZINC000105850121 527659755 /nfs/dbraw/zinc/65/97/55/527659755.db2.gz XTQMANJFPARANA-SFHVURJKSA-N 0 0 323.440 3.503 10 0 DHAERN CC1(C)Oc2ccc(N)cc2N(Cc2ccccc2Cl)C1=O ZINC000020275527 535004701 /nfs/dbraw/zinc/00/47/01/535004701.db2.gz HHTUDFJINKLAQF-UHFFFAOYSA-N 0 0 316.788 3.626 10 0 DHAERN Cc1cc(Cl)cc([C@H]2C[C@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055505 563909955 /nfs/dbraw/zinc/90/99/55/563909955.db2.gz UKPLOQXYLGRZMO-HUUCEWRRSA-N 0 0 324.852 3.966 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000226285224 563913708 /nfs/dbraw/zinc/91/37/08/563913708.db2.gz AIGMGGPKAVDPGL-UHFFFAOYSA-N 0 0 316.323 3.586 10 0 DHAERN COc1cc2c(cc1O)[C@H]1CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]1CC2 ZINC000013540015 571703417 /nfs/dbraw/zinc/70/34/17/571703417.db2.gz MMKYSUOJWFKECQ-SSTWWWIQSA-N 0 0 302.414 3.618 10 0 endogenous,in-man DHAERN CCCC(=O)N1CCC[C@H](c2ccnc(-c3ccc(C)cc3)n2)C1 ZINC000065135510 563397128 /nfs/dbraw/zinc/39/71/28/563397128.db2.gz KBQICXHGTVOKJB-KRWDZBQOSA-N 0 0 323.440 3.958 10 0 DHAERN Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3C=C[C@@H]2C)cc1 ZINC000004614798 563469211 /nfs/dbraw/zinc/46/92/11/563469211.db2.gz CXPBJXCRCAIKRD-HNNXBMFYSA-N 0 0 313.422 3.914 10 0 DHAERN Cc1cc(C)cc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 ZINC000071790608 563501241 /nfs/dbraw/zinc/50/12/41/563501241.db2.gz HDQSRVNBNJFVBF-OAHLLOKOSA-N 0 0 303.402 3.597 10 0 DHAERN CCc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 ZINC000071790582 563501420 /nfs/dbraw/zinc/50/14/20/563501420.db2.gz IRHDIKZMAVDYQP-OAHLLOKOSA-N 0 0 303.402 3.543 10 0 DHAERN FC(F)c1cc2nc(C3CCC3)nn2c(Br)c1 ZINC000725248634 563526927 /nfs/dbraw/zinc/52/69/27/563526927.db2.gz ZBPBGJYJOSGUML-UHFFFAOYSA-N 0 0 302.122 3.697 10 0 DHAERN CCS[C@@H](C)c1nc(-c2ccncc2)nn1-c1ccccn1 ZINC000096163714 563534606 /nfs/dbraw/zinc/53/46/06/563534606.db2.gz FZPKKXHEEWKZEU-LBPRGKRZSA-N 0 0 311.414 3.538 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H](C(C)(C)Br)C1 ZINC000725261490 563567896 /nfs/dbraw/zinc/56/78/96/563567896.db2.gz VEBTXAFWQYTKQR-SNVBAGLBSA-N 0 0 306.244 3.807 10 0 DHAERN O=S(=O)(NC1CCCCC1)c1ccc2c3c(cccc31)CC2 ZINC000226862367 563605368 /nfs/dbraw/zinc/60/53/68/563605368.db2.gz GCELBHKDQURDBC-UHFFFAOYSA-N 0 0 315.438 3.549 10 0 DHAERN Clc1nc(Cl)nc(Nc2ccc(Br)cc2)n1 ZINC000000309715 563629208 /nfs/dbraw/zinc/62/92/08/563629208.db2.gz IWIXEPQRDKRMCA-UHFFFAOYSA-N 0 0 319.977 3.685 10 0 DHAERN Fc1ccc(NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@@H]2C=CC[C@H]32)cc1 ZINC000215729896 563706875 /nfs/dbraw/zinc/70/68/75/563706875.db2.gz QGSKFVUMFGVPNT-YBUXEROVSA-N 0 0 302.418 3.713 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000226260414 563913170 /nfs/dbraw/zinc/91/31/70/563913170.db2.gz DAZXJGYZQSQGEG-BJMVGYQFSA-N 0 0 315.804 3.640 10 0 DHAERN CCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 ZINC000226265665 563913376 /nfs/dbraw/zinc/91/33/76/563913376.db2.gz BCNJGQSLMMNOPB-UHFFFAOYSA-N 0 0 309.413 3.684 10 0 DHAERN C[C@@H](O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000226272938 563913645 /nfs/dbraw/zinc/91/36/45/563913645.db2.gz LMPMVDAUKPODAD-SNVBAGLBSA-N 0 0 320.186 3.755 10 0 DHAERN CN(C)c1nc(SCc2ccccc2Cl)nc2c1CCC2 ZINC000048523906 563923932 /nfs/dbraw/zinc/92/39/32/563923932.db2.gz OHETWPPZRVVGQY-UHFFFAOYSA-N 0 0 319.861 3.977 10 0 DHAERN CCC[C@](C)([NH2+]Cc1ccc(F)c(C(F)(F)F)c1)C(=O)[O-] ZINC000164085597 959251826 /nfs/dbraw/zinc/25/18/26/959251826.db2.gz JPEKJTZBVWAJDD-ZDUSSCGKSA-N 0 0 307.287 3.578 10 0 DHAERN O=C([O-])c1ccc(C[NH2+]CCC2=CCCC2)c(Br)c1 ZINC000228793675 960042199 /nfs/dbraw/zinc/04/21/99/960042199.db2.gz NLDDWOBPZCRPQG-UHFFFAOYSA-N 0 0 324.218 3.737 10 0 DHAERN O=C([O-])CC[N@H+](Cc1coc2ccccc12)Cc1ccccc1 ZINC000692425982 976464683 /nfs/dbraw/zinc/46/46/83/976464683.db2.gz JFHBTDWDOWVGPZ-UHFFFAOYSA-N 0 0 309.365 3.910 10 0 DHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1 ZINC000692437713 976476123 /nfs/dbraw/zinc/47/61/23/976476123.db2.gz UZEPBADCXRLFTE-UHFFFAOYSA-N 0 0 323.314 3.792 10 0 DHAERN O=C([O-])CC[N@H+](Cc1ccccc1)Cc1cccc(O)c1Cl ZINC000692446235 976483059 /nfs/dbraw/zinc/48/30/59/976483059.db2.gz TUDJBXGZLOWSCU-UHFFFAOYSA-N 0 0 319.788 3.523 10 0 DHAERN CCCC(=CC(=O)N[C@H]1CCCn2nc(C(C)C)nc21)CCC ZINC000092448886 1032495354 /nfs/dbraw/zinc/49/53/54/1032495354.db2.gz ZBIPNJZXYUQLND-HNNXBMFYSA-N 0 0 318.465 3.879 10 0 DHAERN Cc1ccc([C@@H]2CN(Cc3cnc(CC(C)C)s3)CCO2)o1 ZINC000093865181 1032563373 /nfs/dbraw/zinc/56/33/73/1032563373.db2.gz FIORHTWGWZYYEZ-INIZCTEOSA-N 0 0 320.458 3.817 10 0 DHAERN CN1CC[C@H](CNC(=O)c2ccccc2Cl)c2ccccc21 ZINC000056045640 1025888896 /nfs/dbraw/zinc/88/88/96/1025888896.db2.gz RXSAUPTYAORIIE-CYBMUJFWSA-N 0 0 314.816 3.694 10 0 DHAERN COc1ccccc1-c1noc(CSCc2ccco2)n1 ZINC000072563728 1030579506 /nfs/dbraw/zinc/57/95/06/1030579506.db2.gz GPIMRBLWBKIOLI-UHFFFAOYSA-N 0 0 302.355 3.772 10 0 DHAERN O=C(CCc1ccc(F)cc1)N1CCC[C@H]1c1nccs1 ZINC000074909375 1030626934 /nfs/dbraw/zinc/62/69/34/1030626934.db2.gz GESXCAZEAIHUFX-AWEZNQCLSA-N 0 0 304.390 3.579 10 0 DHAERN CC(C)CS(=O)(=O)Cc1ncc(-c2ccccc2Cl)o1 ZINC000078807772 1031045633 /nfs/dbraw/zinc/04/56/33/1031045633.db2.gz VYFFUWPLTTWZJY-UHFFFAOYSA-N 0 0 313.806 3.566 10 0 DHAERN CC(C)(C)OC(=O)Nc1cc(Cl)c(Br)cn1 ZINC000095642583 185382855 /nfs/dbraw/zinc/38/28/55/185382855.db2.gz DCUGQFAITQNZGB-UHFFFAOYSA-N 0 0 307.575 3.845 10 0 DHAERN CC(C)c1ccc(OC2CC2)c(I)c1 ZINC000095720746 185383153 /nfs/dbraw/zinc/38/31/53/185383153.db2.gz IYLITUAPXJCHBN-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN CC(C)Oc1cc(I)cc(OC2CC2)c1 ZINC000095722550 185383384 /nfs/dbraw/zinc/38/33/84/185383384.db2.gz XSKXMXHPMPDFBS-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CC(C)c1cc(I)cc(OC2CC2)c1 ZINC000095727130 185383388 /nfs/dbraw/zinc/38/33/88/185383388.db2.gz DASDFMTZBVWECP-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN C[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1Br ZINC000079295771 185163765 /nfs/dbraw/zinc/16/37/65/185163765.db2.gz DMDQGBOQSVEMFL-MRVPVSSYSA-N 0 0 324.140 3.969 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(Cl)c1 ZINC000088559868 185257929 /nfs/dbraw/zinc/25/79/29/185257929.db2.gz VBZJKJSACLHKHI-SMDDNHRTSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1cccc(C)c1Nc1ncc(Br)n2cncc12 ZINC000090398306 185294468 /nfs/dbraw/zinc/29/44/68/185294468.db2.gz QJROCWOYQJVTTD-UHFFFAOYSA-N 0 0 317.190 3.852 10 0 DHAERN Brc1cnc(-c2ccccc2)nc1N1CCCC1 ZINC000090550580 185302230 /nfs/dbraw/zinc/30/22/30/185302230.db2.gz YJKVESSDUDNLNR-UHFFFAOYSA-N 0 0 304.191 3.506 10 0 DHAERN Nc1cccc(-c2cc(=O)c3cc(Br)ccc3o2)c1 ZINC000090549836 185302264 /nfs/dbraw/zinc/30/22/64/185302264.db2.gz VBJYDEGMGKDUHK-UHFFFAOYSA-N 0 0 316.154 3.805 10 0 DHAERN Cc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)cc1C ZINC000092812176 185343376 /nfs/dbraw/zinc/34/33/76/185343376.db2.gz NBOJOXBDOAFQOE-SFHVURJKSA-N 0 0 324.472 3.958 10 0 DHAERN CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)c1cccs1 ZINC000031073269 190657243 /nfs/dbraw/zinc/65/72/43/190657243.db2.gz KOXPXJDZQQXJCZ-CQSZACIVSA-N 0 0 313.419 3.563 10 0 DHAERN CN(C)c1ccc(N)cc1C(=O)Nc1ccc2ccccc2c1 ZINC000226324228 201774584 /nfs/dbraw/zinc/77/45/84/201774584.db2.gz KFNHSSHMGDEZFG-UHFFFAOYSA-N 0 0 305.381 3.740 10 0 DHAERN CCCCOc1cccc(C(=O)Nc2ccc(OC)cc2N)c1 ZINC000226349363 201776882 /nfs/dbraw/zinc/77/68/82/201776882.db2.gz UBGJHDXXDOQLQK-UHFFFAOYSA-N 0 0 314.385 3.709 10 0 DHAERN Cc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)o1 ZINC000109078941 185549566 /nfs/dbraw/zinc/54/95/66/185549566.db2.gz AITZTJCPDMEHRE-UONOGXRCSA-N 0 0 305.324 3.628 10 0 DHAERN CC(C)[C@@H](C)NC(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000072078715 191033966 /nfs/dbraw/zinc/03/39/66/191033966.db2.gz CWQWZLOTNOPUOF-CQSZACIVSA-N 0 0 306.450 3.845 10 0 DHAERN COc1cccc([C@H](C)CC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000084582434 192442755 /nfs/dbraw/zinc/44/27/55/192442755.db2.gz DKHHRJHIQOVZIY-TZMCWYRMSA-N 0 0 301.386 3.968 10 0 DHAERN Cc1ccc(NC(=O)N[C@H](C)C(C)C)cc1OCC(F)F ZINC000072085747 191035854 /nfs/dbraw/zinc/03/58/54/191035854.db2.gz SGFVSUSPJRGPHU-LLVKDONJSA-N 0 0 300.349 3.805 10 0 DHAERN Brc1ccc(-n2nccc2-c2ccccn2)cc1 ZINC000072190533 191073567 /nfs/dbraw/zinc/07/35/67/191073567.db2.gz RZADPWSERVBQSR-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN O=c1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)[nH]1 ZINC000146227128 186038133 /nfs/dbraw/zinc/03/81/33/186038133.db2.gz OCRKXZONEGUGIO-UHFFFAOYSA-N 0 0 309.074 3.763 10 0 DHAERN CC(C)(C)c1ccc(-c2nnc(COc3cccc(N)c3)[nH]2)cc1 ZINC000072236700 191080388 /nfs/dbraw/zinc/08/03/88/191080388.db2.gz HSSSDVPKKLEJGJ-UHFFFAOYSA-N 0 0 322.412 3.930 10 0 DHAERN O=C(Nc1cc(-c2ccncc2)[nH]n1)c1c(F)cccc1Cl ZINC000072256104 191088332 /nfs/dbraw/zinc/08/83/32/191088332.db2.gz ICBNAWWTPRDTCX-UHFFFAOYSA-N 0 0 316.723 3.517 10 0 DHAERN c1ccc2c(c1)CCN2c1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000072443432 191167857 /nfs/dbraw/zinc/16/78/57/191167857.db2.gz AHJCSIQEOBTQSM-UHFFFAOYSA-N 0 0 317.348 3.567 10 0 DHAERN Cc1cccc(Nc2nc3nccc(-c4ccco4)c3c(=O)[nH]2)c1 ZINC000072441036 191167918 /nfs/dbraw/zinc/16/79/18/191167918.db2.gz VZIPPJHZCPFBOL-UHFFFAOYSA-N 0 0 318.336 3.630 10 0 DHAERN COc1ccc(Nc2nccc(-c3ccccc3OC)n2)cc1 ZINC000072443576 191168664 /nfs/dbraw/zinc/16/86/64/191168664.db2.gz GGVPKFOPECHZPG-UHFFFAOYSA-N 0 0 307.353 3.904 10 0 DHAERN COc1ccc(Nc2nccc(-c3ccc(OC)cc3)n2)cc1 ZINC000072443565 191169306 /nfs/dbraw/zinc/16/93/06/191169306.db2.gz XGDWFCUUECUAIV-UHFFFAOYSA-N 0 0 307.353 3.904 10 0 DHAERN Cc1nn2cc3c(nc2c1-c1ccc(F)cc1)CC(C)(C)CC3=O ZINC000072464045 191173849 /nfs/dbraw/zinc/17/38/49/191173849.db2.gz UELHIOFEKWILOT-UHFFFAOYSA-N 0 0 323.371 3.999 10 0 DHAERN COc1cccc(-c2cnn3cc4c(nc23)CC(C)(C)CC4=O)c1 ZINC000072464086 191173923 /nfs/dbraw/zinc/17/39/23/191173923.db2.gz QFPYRTHPKODHPT-UHFFFAOYSA-N 0 0 321.380 3.560 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000072568353 191194920 /nfs/dbraw/zinc/19/49/20/191194920.db2.gz MZLXJPWDARDRLZ-CYBMUJFWSA-N 0 0 320.433 3.737 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000072850409 191238608 /nfs/dbraw/zinc/23/86/08/191238608.db2.gz ONORDBUXSZPNPL-VXGBXAGGSA-N 0 0 313.319 3.740 10 0 DHAERN CCCCN(C)C(=O)c1c2c(sc1NC(C)=O)C[C@H](C)CC2 ZINC000001933821 180902761 /nfs/dbraw/zinc/90/27/61/180902761.db2.gz OAGSRXYPQHWHBA-LLVKDONJSA-N 0 0 322.474 3.703 10 0 DHAERN C=C(c1ccc(OC)c(O)c1)c1ccc(OC)c(OCC)c1 ZINC000073195865 191289930 /nfs/dbraw/zinc/28/99/30/191289930.db2.gz DGMJDCGCTRGAHL-UHFFFAOYSA-N 0 0 300.354 3.870 10 0 DHAERN CCCCOc1cccc(C(=O)Nc2nnc(CC)s2)c1 ZINC000004093687 181072436 /nfs/dbraw/zinc/07/24/36/181072436.db2.gz AUAYUDSOYFMDOH-UHFFFAOYSA-N 0 0 305.403 3.532 10 0 DHAERN O=c1cc(C(F)(F)F)nc(-c2ccc(C(F)(F)F)cc2)[nH]1 ZINC000073696380 191342800 /nfs/dbraw/zinc/34/28/00/191342800.db2.gz RUQJOUHLFCWWBM-UHFFFAOYSA-N 0 0 308.181 3.887 10 0 DHAERN CC(C)[C@H]1COC(c2cccn2Cc2ccccc2Cl)=N1 ZINC000004970690 181181169 /nfs/dbraw/zinc/18/11/69/181181169.db2.gz PFNJEHBNLBUBKE-OAHLLOKOSA-N 0 0 302.805 3.991 10 0 DHAERN COc1cc2ncc3c(C)nn(-c4ccccc4)c3c2c(OC)c1 ZINC000004969875 181181685 /nfs/dbraw/zinc/18/16/85/181181685.db2.gz DZNCFVBOXKOUOL-UHFFFAOYSA-N 0 0 319.364 3.899 10 0 DHAERN C[C@H](NC(=O)N(C)Cc1nccs1)c1cccc(Cl)c1 ZINC000074832890 191368816 /nfs/dbraw/zinc/36/88/16/191368816.db2.gz MGFVTWHXWNLOBY-JTQLQIEISA-N 0 0 309.822 3.699 10 0 DHAERN Cc1cnc(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)o1 ZINC000075738635 191513166 /nfs/dbraw/zinc/51/31/66/191513166.db2.gz VKDWHGWASZGIJH-OAHLLOKOSA-N 0 0 320.820 3.989 10 0 DHAERN CCC[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)CCC ZINC000005431936 181243026 /nfs/dbraw/zinc/24/30/26/181243026.db2.gz VOSACQGRIMFAAT-ZIAGYGMSSA-N 0 0 304.434 3.523 10 0 DHAERN O=[S@@](c1ccc2ccccc2c1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000005521536 181253175 /nfs/dbraw/zinc/25/31/75/181253175.db2.gz YNLYTHFYWIHLPS-CNNODRBYSA-N 0 0 308.402 3.606 10 0 DHAERN O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cccnc1Cl ZINC000005670955 181270082 /nfs/dbraw/zinc/27/00/82/181270082.db2.gz LPMOGSLHCHHNHE-UHFFFAOYSA-N 0 0 322.620 3.683 10 0 DHAERN CN(CC(=O)N1C(C)(C)CCCC1(C)C)Cc1ccccc1 ZINC000005762211 181281673 /nfs/dbraw/zinc/28/16/73/181281673.db2.gz IQIDGOOBRWIRLZ-UHFFFAOYSA-N 0 0 302.462 3.688 10 0 DHAERN CCN(CC)c1nc(Cl)nc(N[C@H](C)c2ccccc2)n1 ZINC000005849840 181290017 /nfs/dbraw/zinc/29/00/17/181290017.db2.gz MPEOPOSOAUMROE-LLVKDONJSA-N 0 0 305.813 3.544 10 0 DHAERN c1ccc2c(c1)cccc2OCc1nc(-c2ccncc2)n[nH]1 ZINC000006000306 181305068 /nfs/dbraw/zinc/30/50/68/181305068.db2.gz AOVVFWTYRGSLJC-UHFFFAOYSA-N 0 0 302.337 3.599 10 0 DHAERN CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000006303218 181327944 /nfs/dbraw/zinc/32/79/44/181327944.db2.gz KBCUPDAYKULMPT-UHFFFAOYSA-N 0 0 318.181 3.584 10 0 DHAERN O=C(Nc1nc(-c2ccccn2)cs1)NC1CCCCC1 ZINC000006400692 181337596 /nfs/dbraw/zinc/33/75/96/181337596.db2.gz MHTQTGJAUGATGW-UHFFFAOYSA-N 0 0 302.403 3.659 10 0 DHAERN C[C@@H](NC(=S)NC(=O)/C=C/c1cccs1)c1ccccc1 ZINC000006471129 181343274 /nfs/dbraw/zinc/34/32/74/181343274.db2.gz JGQNLMZHJDNKLK-BZYZDCJZSA-N 0 0 316.451 3.513 10 0 DHAERN O=c1c(O)c(-c2cccc(Br)c2)oc2ccccc12 ZINC000006583528 181356843 /nfs/dbraw/zinc/35/68/43/181356843.db2.gz FTMVUENCCJQCAB-UHFFFAOYSA-N 0 0 317.138 3.928 10 0 DHAERN COc1ccc(N2C(=O)c3c(c(Cl)ccc3Cl)C2=O)cc1 ZINC000006736567 181379888 /nfs/dbraw/zinc/37/98/88/181379888.db2.gz MCBUJXGSJDSMHN-UHFFFAOYSA-N 0 0 322.147 3.803 10 0 DHAERN Cc1cc(OCc2noc(-c3ccccn3)n2)ccc1Cl ZINC000006747905 181382683 /nfs/dbraw/zinc/38/26/83/181382683.db2.gz CEJLHCIBOBIYGZ-UHFFFAOYSA-N 0 0 301.733 3.672 10 0 DHAERN Cc1c(C(=O)N2CCCC2)c(CC(C)C)nn1-c1ccccc1 ZINC000006753725 181384222 /nfs/dbraw/zinc/38/42/22/181384222.db2.gz NCRLZUQOTPEUEY-UHFFFAOYSA-N 0 0 311.429 3.615 10 0 DHAERN Cc1ncc(CO)c(CNc2ccc(Cl)c(Cl)c2)c1O ZINC000006785020 181387881 /nfs/dbraw/zinc/38/78/81/181387881.db2.gz FYQJKQUGZPKPOI-UHFFFAOYSA-N 0 0 313.184 3.507 10 0 DHAERN COC(=O)c1cc2occc2n1Cc1ccc(F)cc1Cl ZINC000006820689 181395033 /nfs/dbraw/zinc/39/50/33/181395033.db2.gz CIXLJIFMLWJBPO-UHFFFAOYSA-N 0 0 307.708 3.862 10 0 DHAERN CCCN(C[C@H]1CC(c2cccc(F)c2)=NO1)C(=O)CC(C)C ZINC000006874816 181399196 /nfs/dbraw/zinc/39/91/96/181399196.db2.gz MITJWMJVFIFFMI-MRXNPFEDSA-N 0 0 320.408 3.603 10 0 DHAERN COC[C@@H](N[C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413256 193052682 /nfs/dbraw/zinc/05/26/82/193052682.db2.gz VDUAORPJMXKXDF-IAGOWNOFSA-N 0 0 319.351 3.766 10 0 DHAERN CCOC(=O)Cc1cn(C(=O)OC(C)(C)C)c2ccsc12 ZINC000091690700 193091195 /nfs/dbraw/zinc/09/11/95/193091195.db2.gz SQLRADIHLJOFRA-UHFFFAOYSA-N 0 0 309.387 3.592 10 0 DHAERN O=c1c2ccccc2[nH]c(=S)n1-c1cccc(Cl)c1F ZINC000007046098 181433491 /nfs/dbraw/zinc/43/34/91/181433491.db2.gz LAVZZMIIWLMYCA-UHFFFAOYSA-N 0 0 306.749 3.841 10 0 DHAERN CCCCCCOc1ccc(NC(=O)CCC(=O)OCC)cc1 ZINC000007649529 181482878 /nfs/dbraw/zinc/48/28/78/181482878.db2.gz XJZZYEJCBHPXRW-UHFFFAOYSA-N 0 0 321.417 3.928 10 0 DHAERN CC(C)(C)NC(=O)/C=C/c1cc(Br)ccc1F ZINC000007669810 181484880 /nfs/dbraw/zinc/48/48/80/181484880.db2.gz LKHXGWITRFGNJL-QPJJXVBHSA-N 0 0 300.171 3.516 10 0 DHAERN O=C(c1cc2ccccc2cc1O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000094148938 193346190 /nfs/dbraw/zinc/34/61/90/193346190.db2.gz PYBCJHUQBJPIET-KRWDZBQOSA-N 0 0 321.380 3.636 10 0 DHAERN C[C@@]1(Br)CCCN(C(=O)OCc2ccccc2)C1 ZINC000095089618 193421563 /nfs/dbraw/zinc/42/15/63/193421563.db2.gz YESBDNXBIVNGGP-CQSZACIVSA-N 0 0 312.207 3.573 10 0 DHAERN COC(=O)c1ccc([C@H](C)c2c[nH]c3ccc(N)cc32)c(OC)c1 ZINC000095829993 193448480 /nfs/dbraw/zinc/44/84/80/193448480.db2.gz UIGCCHDYLZFCOC-NSHDSACASA-N 0 0 324.380 3.697 10 0 DHAERN CC(C)(C)OC(=O)Nc1cc(Br)cc(Cl)n1 ZINC000095929714 193449545 /nfs/dbraw/zinc/44/95/45/193449545.db2.gz CKLIJONNLDFGGG-UHFFFAOYSA-N 0 0 307.575 3.845 10 0 DHAERN CCOC(=O)c1cc2ccc(Br)cc2c(OC)c1 ZINC000095937692 193451237 /nfs/dbraw/zinc/45/12/37/193451237.db2.gz OCWGUEYNDLLUAZ-UHFFFAOYSA-N 0 0 309.159 3.788 10 0 DHAERN CC(C)(C)OC(=O)n1cc(F)c2cc(Br)cnc21 ZINC000095937083 193451364 /nfs/dbraw/zinc/45/13/64/193451364.db2.gz ZOSAAHLSHOPJJM-UHFFFAOYSA-N 0 0 315.142 3.721 10 0 DHAERN Fc1ccc(N2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cc1 ZINC000096093144 193534764 /nfs/dbraw/zinc/53/47/64/193534764.db2.gz TWRQGGIWBJZUBT-MRXNPFEDSA-N 0 0 312.388 3.764 10 0 DHAERN CC[C@@H](C)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000008218911 181536750 /nfs/dbraw/zinc/53/67/50/181536750.db2.gz VZDSFENTWUTORD-HIFRSBDPSA-N 0 0 316.445 3.786 10 0 DHAERN Cc1ccccc1NC(=O)c1sc(N)nc1-c1ccccc1 ZINC000008416042 181555996 /nfs/dbraw/zinc/55/59/96/181555996.db2.gz KRXQRPZVRQKABZ-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN CCOC(=O)NC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000009172943 181605248 /nfs/dbraw/zinc/60/52/48/181605248.db2.gz MPVRAVYGJBZJAX-AWEZNQCLSA-N 0 0 304.777 3.613 10 0 DHAERN CC[C@@H](C)Oc1cccc(NC(=S)NC(=O)CC(C)C)c1 ZINC000009270355 181611341 /nfs/dbraw/zinc/61/13/41/181611341.db2.gz NKDHCFULTAWHKM-GFCCVEGCSA-N 0 0 308.447 3.723 10 0 DHAERN CC(C)c1ccccc1NC(=S)NC(=O)Cc1ccccc1 ZINC000009695630 181636571 /nfs/dbraw/zinc/63/65/71/181636571.db2.gz IIHUSBPQESZJFD-UHFFFAOYSA-N 0 0 312.438 3.866 10 0 DHAERN O=C(Oc1ccc(/C=C/c2ccncc2)cc1)c1cccnc1 ZINC000011858625 181712716 /nfs/dbraw/zinc/71/27/16/181712716.db2.gz UUEFEPGQCBKSPR-ONEGZZNKSA-N 0 0 302.333 3.866 10 0 DHAERN c1csc(-c2nc(N3CCCC3)ncc2-c2ccsc2)n1 ZINC000013268359 181841028 /nfs/dbraw/zinc/84/10/28/181841028.db2.gz CHDQNFKTLYUBBD-UHFFFAOYSA-N 0 0 314.439 3.929 10 0 DHAERN CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1cc(C)cc(C)c1 ZINC000014023864 181920973 /nfs/dbraw/zinc/92/09/73/181920973.db2.gz OWIONWLDMVSFMM-UNOMPAQXSA-N 0 0 322.408 3.728 10 0 DHAERN CCCN(CCC)C(=O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000014560894 181959622 /nfs/dbraw/zinc/95/96/22/181959622.db2.gz PJUSJSPTJSIAJZ-UHFFFAOYSA-N 0 0 304.434 3.933 10 0 DHAERN CCCc1nnc(NC(=O)/C=C/c2ccc(OCC)cc2)s1 ZINC000018840742 182102721 /nfs/dbraw/zinc/10/27/21/182102721.db2.gz OLWPRLBSLKFDKX-DHZHZOJOSA-N 0 0 317.414 3.541 10 0 DHAERN Cc1ccc(NC(=O)c2c(C)cccc2N)c(Br)c1 ZINC000019393163 182120597 /nfs/dbraw/zinc/12/05/97/182120597.db2.gz KCJUKOAOSVWWMA-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Nc1ccc(F)cc1OCc1ccc(F)cc1Br ZINC000019423562 182122708 /nfs/dbraw/zinc/12/27/08/182122708.db2.gz GPIOVNHSXJNQDG-UHFFFAOYSA-N 0 0 314.129 3.889 10 0 DHAERN Cc1csc(Sc2ccc(Br)cc2N)n1 ZINC000019845692 182156350 /nfs/dbraw/zinc/15/63/50/182156350.db2.gz ZNXOOINHGWPDBZ-UHFFFAOYSA-N 0 0 301.234 3.947 10 0 DHAERN COc1cccc(OC)c1Oc1ccc(Br)cc1N ZINC000019845698 182156460 /nfs/dbraw/zinc/15/64/60/182156460.db2.gz FAIRKNYOPFNLNM-UHFFFAOYSA-N 0 0 324.174 3.841 10 0 DHAERN COc1ccccc1Nc1ccnc(Nc2ccccc2OC)n1 ZINC000019910275 182163590 /nfs/dbraw/zinc/16/35/90/182163590.db2.gz RPHIAMNJFYVZHV-UHFFFAOYSA-N 0 0 322.368 3.981 10 0 DHAERN C[C@H](Nc1ccc(C(N)=O)cc1)c1ccccc1Br ZINC000019911441 182163612 /nfs/dbraw/zinc/16/36/12/182163612.db2.gz CILAVAYZNUVRAH-JTQLQIEISA-N 0 0 319.202 3.721 10 0 DHAERN Nc1cc2c(cc1Oc1ccccc1Br)OCCO2 ZINC000019869305 182159192 /nfs/dbraw/zinc/15/91/92/182159192.db2.gz SSINKFQKGCBXAC-UHFFFAOYSA-N 0 0 322.158 3.595 10 0 DHAERN COc1c(Br)cc(Cl)cc1[C@H](N)C(F)(F)F ZINC000019967897 182171767 /nfs/dbraw/zinc/17/17/67/182171767.db2.gz OEKAXWBINDQJLV-QMMMGPOBSA-N 0 0 318.520 3.673 10 0 DHAERN CC[C@@H](C)SCC(=O)Nc1ccc(N)c(C(F)(F)F)c1 ZINC000019995635 182175500 /nfs/dbraw/zinc/17/55/00/182175500.db2.gz IOYVYXGJEXLDRZ-MRVPVSSYSA-N 0 0 306.353 3.758 10 0 DHAERN CC[C@H](C)NC(=O)CNc1cc(C(F)(F)F)ccc1Cl ZINC000020009532 182177176 /nfs/dbraw/zinc/17/71/76/182177176.db2.gz UIOKBXGETMBBFN-QMMMGPOBSA-N 0 0 308.731 3.685 10 0 DHAERN Nc1ccc(NC(=O)Cc2cccs2)cc1C(F)(F)F ZINC000020081052 182185040 /nfs/dbraw/zinc/18/50/40/182185040.db2.gz YQUHYXSSUPYUGE-UHFFFAOYSA-N 0 0 300.305 3.530 10 0 DHAERN C[C@@H](Nc1cccc(Cl)c1Cl)C(=O)NC1CCCC1 ZINC000020301147 182204642 /nfs/dbraw/zinc/20/46/42/182204642.db2.gz IDFFNQCTFFTTTC-SECBINFHSA-N 0 0 301.217 3.853 10 0 DHAERN O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(=O)[nH]c1 ZINC000020306828 182205305 /nfs/dbraw/zinc/20/53/05/182205305.db2.gz FZTXSSAIWFWJBH-UHFFFAOYSA-N 0 0 317.559 3.587 10 0 DHAERN Cc1sc2ncnc(NCCO)c2c1-c1ccc(Cl)cc1 ZINC000020321539 182206952 /nfs/dbraw/zinc/20/69/52/182206952.db2.gz ROKONNLFPBNKGD-UHFFFAOYSA-N 0 0 319.817 3.724 10 0 DHAERN Nc1ccc(NC(=O)CCCOc2ccccc2)c(Cl)c1 ZINC000020343912 182209721 /nfs/dbraw/zinc/20/97/21/182209721.db2.gz UXKGKFKANODZFB-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN CCC(C)(C)NC(=O)[C@@H](C)Nc1ccccc1Br ZINC000020367896 182212188 /nfs/dbraw/zinc/21/21/88/182212188.db2.gz UKGOUQRRSDXXEQ-SNVBAGLBSA-N 0 0 313.239 3.554 10 0 DHAERN Cc1ccc(NC2N=NC(=S)S2)c(Br)c1 ZINC000020581498 182235046 /nfs/dbraw/zinc/23/50/46/182235046.db2.gz AQJBPSNDELLVJK-UHFFFAOYSA-N 0 0 302.222 3.641 10 0 DHAERN S=C1N=NC(NCCc2ccc(Cl)cc2Cl)S1 ZINC000020581735 182235074 /nfs/dbraw/zinc/23/50/74/182235074.db2.gz HBZBXMYOYBXMAN-UHFFFAOYSA-N 0 0 306.243 3.788 10 0 DHAERN CC[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 ZINC000021126824 182266141 /nfs/dbraw/zinc/26/61/41/182266141.db2.gz KMOYXJGVKRFEDM-LBPRGKRZSA-N 0 0 322.364 3.840 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000021871960 182295731 /nfs/dbraw/zinc/29/57/31/182295731.db2.gz AVPIJJWYTWBZOO-LBPRGKRZSA-N 0 0 305.349 3.772 10 0 DHAERN O[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1)c1cncnc1 ZINC000028769346 182538520 /nfs/dbraw/zinc/53/85/20/182538520.db2.gz OCYZFOMLYIWENI-KRWDZBQOSA-N 0 0 314.747 3.553 10 0 DHAERN COc1ccc2c(c1)CC=Cc1cc(OC)c(OC)c(OC)c1-2 ZINC000029467066 182566022 /nfs/dbraw/zinc/56/60/22/182566022.db2.gz ZNKGVTKZFPQFCR-UHFFFAOYSA-N 0 0 312.365 3.957 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N2CCOC3(CCC3)C2)c2ccccc21 ZINC000152371455 335034024 /nfs/dbraw/zinc/03/40/24/335034024.db2.gz WRYMBSDNIJQQFS-RHSMWYFYSA-N 0 0 314.429 3.590 10 0 DHAERN O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc(Cl)cc1 ZINC000033329808 182705214 /nfs/dbraw/zinc/70/52/14/182705214.db2.gz HIBRGRZJMIDIHI-WDZFZDKYSA-N 0 0 316.813 3.866 10 0 DHAERN Cc1ccc(CC(=O)Nc2ccc(Br)cc2N)cc1 ZINC000037331231 182882916 /nfs/dbraw/zinc/88/29/16/182882916.db2.gz SMTHRGHLJVOVBE-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN CCOCCCNc1nc2cc(Br)ccc2s1 ZINC000037206771 182872435 /nfs/dbraw/zinc/87/24/35/182872435.db2.gz XQAGGDQAMDLKJL-UHFFFAOYSA-N 0 0 315.236 3.897 10 0 DHAERN [NH3+][C@H](CCSCc1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037736214 182921979 /nfs/dbraw/zinc/92/19/79/182921979.db2.gz SWBRSZFRVFAXQB-SECBINFHSA-N 0 0 315.847 3.590 10 0 DHAERN O[C@@H](CNc1cc(Br)ccc1F)c1cccs1 ZINC000037891769 182934554 /nfs/dbraw/zinc/93/45/54/182934554.db2.gz KDIZHPVFWFNQJV-NSHDSACASA-N 0 0 316.195 3.795 10 0 DHAERN C[C@@H](Nc1ccnc(C(=O)N(C)C)c1)c1cccc(Cl)c1 ZINC000037979486 182949931 /nfs/dbraw/zinc/94/99/31/182949931.db2.gz BUWMLWJFXQKVSW-LLVKDONJSA-N 0 0 303.793 3.610 10 0 DHAERN C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)c2cc(Cl)ccn2)o1 ZINC000037979177 182950406 /nfs/dbraw/zinc/95/04/06/182950406.db2.gz BXTWZWRUVVBRNS-GWCFXTLKSA-N 0 0 304.777 3.724 10 0 DHAERN O=C(N[C@H]1CCCC[C@H]1C(F)(F)F)c1cccnc1Cl ZINC000037981249 182951659 /nfs/dbraw/zinc/95/16/59/182951659.db2.gz UAGCBTZHWYQYPJ-ZJUUUORDSA-N 0 0 306.715 3.586 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N1CCC[C@H]1CC ZINC000037915186 182936548 /nfs/dbraw/zinc/93/65/48/182936548.db2.gz WYRKTKUVNUEKDJ-GFCCVEGCSA-N 0 0 313.239 3.675 10 0 DHAERN CCCCCCSc1ncn(CC(=O)c2ccccc2O)n1 ZINC000038635459 183005916 /nfs/dbraw/zinc/00/59/16/183005916.db2.gz SUEDIJGRWGXHAD-UHFFFAOYSA-N 0 0 319.430 3.539 10 0 DHAERN CC(C)(C)OC(=O)N[C@H](CCO)c1ccc(OC(C)(C)C)cc1 ZINC000039927973 183022829 /nfs/dbraw/zinc/02/28/29/183022829.db2.gz DGIIBECNMLSFOU-OAHLLOKOSA-N 0 0 323.433 3.812 10 0 DHAERN C/C=C/C(=O)NCCc1nc2ccccc2n1CCCCCC ZINC000040203458 183045366 /nfs/dbraw/zinc/04/53/66/183045366.db2.gz INYQUFMXLOFFNN-ONNFQVAWSA-N 0 0 313.445 3.851 10 0 DHAERN CCn1c(CCCCCNC(=O)C(C)(C)C)nc2ccccc21 ZINC000040211880 183045793 /nfs/dbraw/zinc/04/57/93/183045793.db2.gz CKIGVZFYCMWEHZ-UHFFFAOYSA-N 0 0 315.461 3.931 10 0 DHAERN CC(C)c1ccccc1OCCn1c(CCO)nc2ccccc21 ZINC000040225234 183048055 /nfs/dbraw/zinc/04/80/55/183048055.db2.gz LYJLVHAJLARZRL-UHFFFAOYSA-N 0 0 324.424 3.774 10 0 DHAERN CC(C)OC(=O)Cn1c2ccccc2nc1-c1ccc(F)cc1 ZINC000040249710 183049084 /nfs/dbraw/zinc/04/90/84/183049084.db2.gz YXPLGMUIROWKSN-UHFFFAOYSA-N 0 0 312.344 3.794 10 0 DHAERN O=C1CCCc2cc([C@@H](O)c3ccc(Cl)cc3)ccc2N1 ZINC000040261205 183049225 /nfs/dbraw/zinc/04/92/25/183049225.db2.gz QIGLOMRQAMYUJE-KRWDZBQOSA-N 0 0 301.773 3.697 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295732 183052511 /nfs/dbraw/zinc/05/25/11/183052511.db2.gz GSMPYFIYJGSPBA-UHFFFAOYSA-N 0 0 311.360 3.767 10 0 DHAERN COc1ccccc1NC(=O)Cn1c2ccccc2nc1C(C)C ZINC000040295646 183052739 /nfs/dbraw/zinc/05/27/39/183052739.db2.gz UTRUTJBHYJIJQU-UHFFFAOYSA-N 0 0 323.396 3.807 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1 ZINC000040295744 183053071 /nfs/dbraw/zinc/05/30/71/183053071.db2.gz SUIXGIGWKYYTBU-UHFFFAOYSA-N 0 0 323.396 3.636 10 0 DHAERN Cc1cc2nc(CCCO)n(Cc3ccc(F)cc3)c2cc1C ZINC000040310969 183053273 /nfs/dbraw/zinc/05/32/73/183053273.db2.gz MKTQZVSARJSQLS-UHFFFAOYSA-N 0 0 312.388 3.765 10 0 DHAERN Cc1ccc(OCCn2c(CO)nc3cc(C)c(C)cc32)c(C)c1 ZINC000040308924 183053297 /nfs/dbraw/zinc/05/32/97/183053297.db2.gz AIVJAFHJKNACSF-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN Cc1cccc(-c2nc3ccccc3n2CC(=O)NCC(C)C)c1 ZINC000040306701 183053399 /nfs/dbraw/zinc/05/33/99/183053399.db2.gz VYVUQYXDRRKWGT-UHFFFAOYSA-N 0 0 321.424 3.784 10 0 DHAERN Cc1cccc(OCCn2c(CO)nc3cc(C)c(C)cc32)c1 ZINC000040308950 183053440 /nfs/dbraw/zinc/05/34/40/183053440.db2.gz WPFJOWNHDOSAKC-UHFFFAOYSA-N 0 0 310.397 3.533 10 0 DHAERN CCOC(=O)Cc1csc2nc(-c3ccc(C)cc3C)cn12 ZINC000040439760 183067701 /nfs/dbraw/zinc/06/77/01/183067701.db2.gz MMGOBVMARROOAH-UHFFFAOYSA-N 0 0 314.410 3.785 10 0 DHAERN CCN(c1ccccc1)c1ncnc(Nc2cc(C)ccn2)c1N ZINC000040679419 183116328 /nfs/dbraw/zinc/11/63/28/183116328.db2.gz HWKVUCZISKEQMB-UHFFFAOYSA-N 0 0 320.400 3.664 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Nc3nccs3)c2N)c1 ZINC000040681442 183117259 /nfs/dbraw/zinc/11/72/59/183117259.db2.gz JZESAOCXROCWMQ-UHFFFAOYSA-N 0 0 313.386 3.668 10 0 DHAERN Nc1c(Nc2ccccc2F)ncnc1N1CCc2ccccc21 ZINC000040687341 183117977 /nfs/dbraw/zinc/11/79/77/183117977.db2.gz CACNTUTXXFUTAW-UHFFFAOYSA-N 0 0 321.359 3.636 10 0 DHAERN COc1ccccc1Nc1ncnc(NC2CCCCC2)c1N ZINC000040708575 183120525 /nfs/dbraw/zinc/12/05/25/183120525.db2.gz QTFSNRDIUUZIDC-UHFFFAOYSA-N 0 0 313.405 3.556 10 0 DHAERN Nc1c(Cl)ncnc1Nc1ncc(C(F)(F)F)cc1Cl ZINC000040572125 183104758 /nfs/dbraw/zinc/10/47/58/183104758.db2.gz BZWRMBAFMWBRHK-UHFFFAOYSA-N 0 0 324.093 3.523 10 0 DHAERN Nc1c(Nc2nccs2)ncnc1Nc1ccccc1Cl ZINC000040780783 183133286 /nfs/dbraw/zinc/13/32/86/183133286.db2.gz LLGUINMPHVAPPG-UHFFFAOYSA-N 0 0 318.793 3.656 10 0 DHAERN Nc1c(NCc2ccc(F)cc2)ncnc1OC1CCCCC1 ZINC000040800075 183135352 /nfs/dbraw/zinc/13/53/52/183135352.db2.gz YERHYHPTJPWZJU-UHFFFAOYSA-N 0 0 316.380 3.522 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(N2CCCCCC2)c1N ZINC000040725403 183124306 /nfs/dbraw/zinc/12/43/06/183124306.db2.gz YZHFTYRNODZLGJ-UHFFFAOYSA-N 0 0 319.497 3.558 10 0 DHAERN Cc1ccc(NC(=O)c2cnc3cc(Cl)ccc3c2O)cc1 ZINC000041055959 183160378 /nfs/dbraw/zinc/16/03/78/183160378.db2.gz YJJNTPYIXXUGSF-UHFFFAOYSA-N 0 0 312.756 3.742 10 0 DHAERN O=C(Nc1ccnc2ccc(Br)cc21)c1ccco1 ZINC000041057914 183161055 /nfs/dbraw/zinc/16/10/55/183161055.db2.gz DIVQOKYYMFBMIC-UHFFFAOYSA-N 0 0 317.142 3.843 10 0 DHAERN COc1cc(N)c(Cl)cc1-c1n[nH]c(C2CCCCC2)n1 ZINC000041161751 183179494 /nfs/dbraw/zinc/17/94/94/183179494.db2.gz DOWJNGDTWXPNBT-UHFFFAOYSA-N 0 0 306.797 3.764 10 0 DHAERN OC[C@H](Cc1ccccc1)Cc1cccc(Br)c1 ZINC000041531961 183199258 /nfs/dbraw/zinc/19/92/58/183199258.db2.gz UETXQBCQXNDRMO-OAHLLOKOSA-N 0 0 305.215 3.843 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1cc(Cl)ccc1Cl ZINC000042528730 183280845 /nfs/dbraw/zinc/28/08/45/183280845.db2.gz VBUFIFPHEPQOAT-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1cccc(Cl)c1Cl ZINC000042528735 183281108 /nfs/dbraw/zinc/28/11/08/183281108.db2.gz IQUDPKGPHHUOCR-UHFFFAOYSA-N 0 0 319.257 3.520 10 0 DHAERN O=S1CCC(Nc2ccccc2SC(F)(F)F)CC1 ZINC000042336504 183255897 /nfs/dbraw/zinc/25/58/97/183255897.db2.gz CRHURWXDEINTHU-UHFFFAOYSA-N 0 0 309.378 3.622 10 0 DHAERN CN(Cc1cc(Br)cs1)c1cccc(F)c1N ZINC000042399257 183263908 /nfs/dbraw/zinc/26/39/08/183263908.db2.gz SHUNAAADMDAIQF-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN CCN(CC(F)(F)F)C(=O)c1cc(N)c(Cl)c(Cl)c1 ZINC000042736460 183304044 /nfs/dbraw/zinc/30/40/44/183304044.db2.gz HECDBUKENJLGLM-UHFFFAOYSA-N 0 0 315.122 3.600 10 0 DHAERN CC[C@H](c1cccs1)n1nc(C)c(Br)c1N ZINC000043668760 183378401 /nfs/dbraw/zinc/37/84/01/183378401.db2.gz NIZISRRBVWVFRI-MRVPVSSYSA-N 0 0 300.225 3.597 10 0 DHAERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1nc(C)cs1 ZINC000104786425 194039789 /nfs/dbraw/zinc/03/97/89/194039789.db2.gz PGGKNKRUSBEVFG-RYUDHWBXSA-N 0 0 307.419 3.864 10 0 DHAERN Cc1ccc(C)c(-c2nonc2NC(=O)c2ccc(F)cc2)c1 ZINC000047133324 183581651 /nfs/dbraw/zinc/58/16/51/183581651.db2.gz XNSWZYOPXJTMDE-UHFFFAOYSA-N 0 0 311.316 3.745 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC000105851206 194146408 /nfs/dbraw/zinc/14/64/08/194146408.db2.gz BACRYYGKQYLNLD-CYBMUJFWSA-N 0 0 317.820 3.576 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000105851445 194146640 /nfs/dbraw/zinc/14/66/40/194146640.db2.gz GPIWZBSOZOXLNZ-QGZVFWFLSA-N 0 0 311.429 3.540 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3ncc(-c4ccccc4)o3)C2)c1 ZINC000105899432 194163903 /nfs/dbraw/zinc/16/39/03/194163903.db2.gz XXFSGCOJSDCDPD-QGZVFWFLSA-N 0 0 322.412 3.684 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3coc(-c4ccccc4)n3)C2)c1 ZINC000105900623 194165728 /nfs/dbraw/zinc/16/57/28/194165728.db2.gz QUOKHUUNOLBPDQ-GOSISDBHSA-N 0 0 322.412 3.684 10 0 DHAERN CSc1cccc(NC(=O)[C@H](Cc2ccccc2)N(C)C)c1 ZINC000106426741 194211675 /nfs/dbraw/zinc/21/16/75/194211675.db2.gz AIVUFDMMXMYHGM-KRWDZBQOSA-N 0 0 314.454 3.520 10 0 DHAERN Cc1ccc([C@@H](C)Nc2ncc(Br)cc2N)cc1 ZINC000049555305 183741021 /nfs/dbraw/zinc/74/10/21/183741021.db2.gz YDJUWAMGCSSRCQ-SNVBAGLBSA-N 0 0 306.207 3.908 10 0 DHAERN Cc1ccnc(SCc2sccc2Br)n1 ZINC000051332153 183823760 /nfs/dbraw/zinc/82/37/60/183823760.db2.gz UOZGPIIQSNFPLN-UHFFFAOYSA-N 0 0 301.234 3.901 10 0 DHAERN COCc1cc(Cl)nc(-c2cccc(Br)c2)n1 ZINC000051700243 183835075 /nfs/dbraw/zinc/83/50/75/183835075.db2.gz KHYLJOUSQOFWKB-UHFFFAOYSA-N 0 0 313.582 3.706 10 0 DHAERN Nc1ccc(F)c(F)c1NCc1ccc(Br)cc1 ZINC000053164461 183890669 /nfs/dbraw/zinc/89/06/69/183890669.db2.gz HCELWGROAMEBRO-UHFFFAOYSA-N 0 0 313.145 3.922 10 0 DHAERN COc1ccc([C@@H](O)Cc2sccc2Br)cc1 ZINC000053780955 183912564 /nfs/dbraw/zinc/91/25/64/183912564.db2.gz UUWGTEQPLIFFFJ-LBPRGKRZSA-N 0 0 313.216 3.795 10 0 DHAERN COc1ccccc1NCc1ccc(O)c(Br)c1 ZINC000057997919 184066249 /nfs/dbraw/zinc/06/62/49/184066249.db2.gz ZBEGKUZFAVXVTH-UHFFFAOYSA-N 0 0 308.175 3.775 10 0 DHAERN COc1cc(F)c(C(=O)c2ccc(Cl)s2)cc1OC ZINC000061560161 184174427 /nfs/dbraw/zinc/17/44/27/184174427.db2.gz DLDNVZHBJJCUFZ-UHFFFAOYSA-N 0 0 300.738 3.789 10 0 DHAERN Brc1ccc([C@H]2CN[C@@H](c3ccccc3)CO2)s1 ZINC000063003341 184265940 /nfs/dbraw/zinc/26/59/40/184265940.db2.gz XHHXKYCCPBJYOZ-VXGBXAGGSA-N 0 0 324.243 3.913 10 0 DHAERN CCC(=O)N1CCC[C@@H](c2ccnc(Nc3cccc(C)c3)n2)C1 ZINC000065148048 184311456 /nfs/dbraw/zinc/31/14/56/184311456.db2.gz UVRNJCUQIIRUAB-OAHLLOKOSA-N 0 0 324.428 3.645 10 0 DHAERN O=C(CC1CCCC1)NC[C@]1(c2ccccc2)CCCOCC1 ZINC000065226107 184315420 /nfs/dbraw/zinc/31/54/20/184315420.db2.gz WZZNOHFIJUDWGX-FQEVSTJZSA-N 0 0 315.457 3.821 10 0 DHAERN O=C(CC1CCCC1)NC[C@@]1(c2ccccc2)CCCOCC1 ZINC000065226106 184315512 /nfs/dbraw/zinc/31/55/12/184315512.db2.gz WZZNOHFIJUDWGX-HXUWFJFHSA-N 0 0 315.457 3.821 10 0 DHAERN Nc1nc(-c2ccc(-n3ccnc3-c3cccnc3)cc2)cs1 ZINC000065452254 184346875 /nfs/dbraw/zinc/34/68/75/184346875.db2.gz LBKQJPSGAUFNLE-UHFFFAOYSA-N 0 0 319.393 3.640 10 0 DHAERN COc1ccc(NC(=O)COc2ccccc2F)c(Cl)c1 ZINC000065811400 184380552 /nfs/dbraw/zinc/38/05/52/184380552.db2.gz HFKUXUJPQDNOLK-UHFFFAOYSA-N 0 0 309.724 3.505 10 0 DHAERN COc1c(Cl)cc(C(=O)Nc2ccccc2N)cc1Cl ZINC000119078329 194968629 /nfs/dbraw/zinc/96/86/29/194968629.db2.gz CMUDHXGTIGANCB-UHFFFAOYSA-N 0 0 311.168 3.837 10 0 DHAERN Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)C(C)C ZINC000224335973 257233058 /nfs/dbraw/zinc/23/30/58/257233058.db2.gz MANMWRUDTXSTFH-UHFFFAOYSA-N 0 0 303.337 3.619 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000072093420 184930060 /nfs/dbraw/zinc/93/00/60/184930060.db2.gz VEBNUILHIQDAEN-NSHDSACASA-N 0 0 306.797 3.692 10 0 DHAERN CCCCN1c2cc(NC(=O)C(C)(C)C)ccc2O[C@H](C)C1=O ZINC000012118891 134501550 /nfs/dbraw/zinc/50/15/50/134501550.db2.gz OIMFZOHIUBNRKX-GFCCVEGCSA-N 0 0 318.417 3.585 10 0 DHAERN CC[C@H]1Oc2ccc(N)cc2N(Cc2ccccc2Cl)C1=O ZINC000019954222 134641171 /nfs/dbraw/zinc/64/11/71/134641171.db2.gz GUAMIEZJMJCFGW-OAHLLOKOSA-N 0 0 316.788 3.626 10 0 DHAERN C[C@H](NC(=O)N1CCSC(C)(C)C1)c1ccc(F)c(F)c1 ZINC000175316868 332885887 /nfs/dbraw/zinc/88/58/87/332885887.db2.gz BSEUFXWEJFXSOM-JTQLQIEISA-N 0 0 314.401 3.563 10 0 DHAERN CSc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1F ZINC000179642160 331530730 /nfs/dbraw/zinc/53/07/30/331530730.db2.gz CGMJQEFGPINMLK-AWEZNQCLSA-N 0 0 317.385 3.801 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)CC(C)(C)C1 ZINC000180472667 331570036 /nfs/dbraw/zinc/57/00/36/331570036.db2.gz RPHGEKIAIHOJGD-YYAJDYIMSA-N 0 0 307.478 3.602 10 0 DHAERN CCOc1cc(Cl)ccc1C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000180726752 331576486 /nfs/dbraw/zinc/57/64/86/331576486.db2.gz IAPJUEOTPKSPKS-CABCVRRESA-N 0 0 323.820 3.522 10 0 DHAERN C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000072524055 331669510 /nfs/dbraw/zinc/66/95/10/331669510.db2.gz FOIOXVODCNBLLQ-KYJSFNMBSA-N 0 0 324.428 3.528 10 0 DHAERN C[C@H]1CCCN(C(=O)Nc2ccc3c4c(cccc42)CC3)[C@@H]1CO ZINC000089856086 331821480 /nfs/dbraw/zinc/82/14/80/331821480.db2.gz QQBFADPQULWOEQ-SCLBCKFNSA-N 0 0 324.424 3.563 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000077539129 331958986 /nfs/dbraw/zinc/95/89/86/331958986.db2.gz SODRHWPGJRXVRE-WDEREUQCSA-N 0 0 316.417 3.809 10 0 DHAERN C[C@@H](NC(=O)N1C[C@@H]2CCCC[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000176386795 332938096 /nfs/dbraw/zinc/93/80/96/332938096.db2.gz PIRUUVIICVCWJL-BNOWGMLFSA-N 0 0 308.372 3.857 10 0 DHAERN CC(C)[C@H](O)CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000158276083 332086240 /nfs/dbraw/zinc/08/62/40/332086240.db2.gz VRJOOPNFXCMMMP-CYBMUJFWSA-N 0 0 318.244 3.752 10 0 DHAERN COc1ccc2oc(CN3CCO[C@@H]4CCCC[C@@H]43)cc2c1 ZINC000091979476 332098988 /nfs/dbraw/zinc/09/89/88/332098988.db2.gz SSQHAYYKXHWQLR-FUHWJXTLSA-N 0 0 301.386 3.585 10 0 DHAERN CC[C@@H](C)[C@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000180901436 332144869 /nfs/dbraw/zinc/14/48/69/332144869.db2.gz PVSQOXYLYIHNCV-OLZOCXBDSA-N 0 0 307.438 3.761 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1ccc(C)c(O)c1)[C@@H](C)C2 ZINC000181108142 332175648 /nfs/dbraw/zinc/17/56/48/332175648.db2.gz NAGFOUFMBXNKIS-XOBRGWDASA-N 0 0 309.409 3.601 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CSCC(F)(F)F)[C@@H](C)C2 ZINC000181248456 332188224 /nfs/dbraw/zinc/18/82/24/332188224.db2.gz WGFVYJVGLXDREP-IINYFYTJSA-N 0 0 317.376 3.640 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@H](C)c2ccccc2)cc1OC ZINC000120024163 332381469 /nfs/dbraw/zinc/38/14/69/332381469.db2.gz HSXQFQNHLLBFFN-KGLIPLIRSA-N 0 0 313.397 3.685 10 0 DHAERN CC[C@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000150890201 332450482 /nfs/dbraw/zinc/45/04/82/332450482.db2.gz KUVCBBCTRDKISJ-ZFWWWQNUSA-N 0 0 302.418 3.730 10 0 DHAERN CCC[C@H]([NH2+]CCCSc1ccccc1Cl)C(=O)[O-] ZINC000185049855 335110601 /nfs/dbraw/zinc/11/06/01/335110601.db2.gz NZWZSWAVNJXQKI-LBPRGKRZSA-N 0 0 301.839 3.665 10 0 DHAERN C[C@H](NC(=O)[C@H]1C[C@@H]1C1CC1)c1cccc(Br)c1 ZINC000176654156 332950696 /nfs/dbraw/zinc/95/06/96/332950696.db2.gz UGKPWJPVUQBCPJ-FZZIBODNSA-N 0 0 308.219 3.672 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)O1 ZINC000178077339 333001540 /nfs/dbraw/zinc/00/15/40/333001540.db2.gz SYFFIEXARMJEER-CSMYWGQOSA-N 0 0 305.393 3.741 10 0 DHAERN C[C@H](NC(=O)NCCCc1ccccn1)c1ccc(Cl)s1 ZINC000179171371 333024556 /nfs/dbraw/zinc/02/45/56/333024556.db2.gz DSKDAFLDKPAVHQ-NSHDSACASA-N 0 0 323.849 3.790 10 0 DHAERN C[C@H](NC(=O)NCCCc1ccccn1)c1cccc(Cl)c1 ZINC000179156615 333024713 /nfs/dbraw/zinc/02/47/13/333024713.db2.gz UHRDUWUSTXCQRC-ZDUSSCGKSA-N 0 0 317.820 3.728 10 0 DHAERN CCCO[C@H]1CCCN(C(=O)N[C@@H](C)c2cccs2)CC1 ZINC000171747097 333053783 /nfs/dbraw/zinc/05/37/83/333053783.db2.gz KHXBHDMMRWNNPL-KBPBESRZSA-N 0 0 310.463 3.800 10 0 DHAERN CC(C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)=C1CCCC1 ZINC000176676448 333117714 /nfs/dbraw/zinc/11/77/14/333117714.db2.gz TVHZVXCIXVTUSV-HNNXBMFYSA-N 0 0 309.413 3.940 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1ccc(O)cc1)[C@@H](C)C2 ZINC000181920746 333147571 /nfs/dbraw/zinc/14/75/71/333147571.db2.gz YFZCVWNQNVRVFI-LIRRHRJNSA-N 0 0 324.424 3.776 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000187955525 333154860 /nfs/dbraw/zinc/15/48/60/333154860.db2.gz JBCMZORSAPEROS-GJZGRUSLSA-N 0 0 321.486 3.881 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)C(C)(C)c1ccccc1 ZINC000188037588 333157598 /nfs/dbraw/zinc/15/75/98/333157598.db2.gz RZWZSZSIMCNKEC-OIISXLGYSA-N 0 0 303.446 3.674 10 0 DHAERN COC(=O)[C@@H]1CCCCN1Cc1cccc(Cl)c1Cl ZINC000218715229 333284239 /nfs/dbraw/zinc/28/42/39/333284239.db2.gz FHWXUYYQSBCWAS-LBPRGKRZSA-N 0 0 302.201 3.521 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2c(C)cccc2Br)o1 ZINC000311881656 333390561 /nfs/dbraw/zinc/39/05/61/333390561.db2.gz NFMMTZVMYDVOAW-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN Fc1cccc(N[C@H]2CCOc3ccc(Br)cc32)n1 ZINC000057140081 333396483 /nfs/dbraw/zinc/39/64/83/333396483.db2.gz WIBZHUFXYOXVMV-NSHDSACASA-N 0 0 323.165 3.919 10 0 DHAERN CC[C@H](NC(=O)c1ccc(F)c(Br)c1)C(C)C ZINC000231290600 333459991 /nfs/dbraw/zinc/45/99/91/333459991.db2.gz IMSWHPKODIOSGV-LBPRGKRZSA-N 0 0 302.187 3.753 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccnn1C(C)C)[C@@H](C)C2 ZINC000182412014 333501357 /nfs/dbraw/zinc/50/13/57/333501357.db2.gz PEKLBIWSCFWDAR-GUYCJALGSA-N 0 0 312.417 3.827 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000111790050 334357322 /nfs/dbraw/zinc/35/73/22/334357322.db2.gz ORAHLKFKJBYCOH-IRXDYDNUSA-N 0 0 320.481 3.754 10 0 DHAERN CCC1CCC(NC(=O)c2nc(C(C)C)ncc2Cl)CC1 ZINC000050120882 334366129 /nfs/dbraw/zinc/36/61/29/334366129.db2.gz GRVQARIIDHWZTL-UHFFFAOYSA-N 0 0 309.841 3.952 10 0 DHAERN C[C@H](NCc1ccn(C)n1)c1c(Cl)ccc(F)c1Cl ZINC000112341712 334384164 /nfs/dbraw/zinc/38/41/64/334384164.db2.gz UHAGMEBTSOMSEL-QMMMGPOBSA-N 0 0 302.180 3.717 10 0 DHAERN CCCCCN(CCO)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000112445672 334710600 /nfs/dbraw/zinc/71/06/00/334710600.db2.gz WUZPAPLBDNLKQL-MRXNPFEDSA-N 0 0 324.852 3.521 10 0 DHAERN CC[C@H](Nc1nc(C)nc2scc(C)c21)c1noc(C)n1 ZINC000126179592 334859041 /nfs/dbraw/zinc/85/90/41/334859041.db2.gz UTEXVUBCLYCLKM-JTQLQIEISA-N 0 0 303.391 3.563 10 0 DHAERN C[C@H](NC(=O)Nc1cnn([C@@H](C)C2CC2)c1)c1cccs1 ZINC000189759267 334907487 /nfs/dbraw/zinc/90/74/87/334907487.db2.gz LPSCMVOEXIJDFZ-QWRGUYRKSA-N 0 0 304.419 3.798 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccnc(Cl)c2)C1 ZINC000113281105 335655401 /nfs/dbraw/zinc/65/54/01/335655401.db2.gz QPZCZRRXDONFPB-GFCCVEGCSA-N 0 0 312.797 3.513 10 0 DHAERN CC[C@H](NC(=O)c1c(F)cc(Br)cc1F)C(C)C ZINC000094716207 335747424 /nfs/dbraw/zinc/74/74/24/335747424.db2.gz HQHFVRUELCNXNB-NSHDSACASA-N 0 0 320.177 3.892 10 0 DHAERN CC1CCC(N(C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000053961821 335848669 /nfs/dbraw/zinc/84/86/69/335848669.db2.gz GOTISHHOZZUVHP-ZBCRRDGASA-N 0 0 302.418 3.730 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)CC(C)=O)C12CCCC2 ZINC000191869317 335876196 /nfs/dbraw/zinc/87/61/96/335876196.db2.gz OSUNCJJZGBOEGK-JKSUJKDBSA-N 0 0 323.477 3.578 10 0 DHAERN CCN(C(=O)C[C@H]1CCCCNC1=O)c1ccc2[nH]ccc2c1 ZINC000329852220 336089310 /nfs/dbraw/zinc/08/93/10/336089310.db2.gz UNJCVUPORFFMSF-CQSZACIVSA-N 0 0 313.401 3.668 10 0 DHAERN C[C@@H](c1cnn(C)c1)N(C)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000330222369 336126244 /nfs/dbraw/zinc/12/62/44/336126244.db2.gz RTVPHUXYWVRKTC-ZDUSSCGKSA-N 0 0 312.417 3.913 10 0 DHAERN CC(C)C[C@H](C)n1nccc1NC(=O)C[C@@H]1CCCCNC1=O ZINC000330292853 336136171 /nfs/dbraw/zinc/13/61/71/336136171.db2.gz DMDALDQZYURAKA-KBPBESRZSA-N 0 0 320.437 3.575 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCC([C@@H]2CCCO2)CC1 ZINC000333074343 336197664 /nfs/dbraw/zinc/19/76/64/336197664.db2.gz VOSVMJLKZYSZHK-KRWDZBQOSA-N 0 0 313.401 3.591 10 0 DHAERN CC(C)[C@H]1N(C(=O)Nc2ccc3ccoc3c2)C[C@@]12CCCO2 ZINC000333195500 336199708 /nfs/dbraw/zinc/19/97/08/336199708.db2.gz PLNIDHVVQQKBQA-AEFFLSMTSA-N 0 0 314.385 3.854 10 0 DHAERN CCN(C(=O)[C@H](C)COC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000103373328 336240382 /nfs/dbraw/zinc/24/03/82/336240382.db2.gz ADTNWEPUQKUNLD-NEPJUHHUSA-N 0 0 317.351 3.897 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cccc(COc2cccc(F)c2)c1 ZINC000103378493 336241227 /nfs/dbraw/zinc/24/12/27/336241227.db2.gz LEMUEKVLXICMQZ-CYBMUJFWSA-N 0 0 317.360 3.626 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCSc2ccccc21 ZINC000167770430 336261589 /nfs/dbraw/zinc/26/15/89/336261589.db2.gz JGEBGLKNPORBNB-UONOGXRCSA-N 0 0 314.458 3.502 10 0 DHAERN C[C@@H](NC(=O)N[C@H](C)c1ccc2c(c1)OCO2)c1cccs1 ZINC000031107001 336279096 /nfs/dbraw/zinc/27/90/96/336279096.db2.gz WAKMTKGSLHUWPI-GHMZBOCLSA-N 0 0 318.398 3.598 10 0 DHAERN Clc1ccc2c(c1)ncnc2N[C@H]1CCN(c2ccccc2)C1 ZINC000301187478 336293992 /nfs/dbraw/zinc/29/39/92/336293992.db2.gz KOAXURARYQBUAZ-AWEZNQCLSA-N 0 0 324.815 3.974 10 0 DHAERN Cc1ccsc1CNc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC000301225041 336295479 /nfs/dbraw/zinc/29/54/79/336295479.db2.gz CZASDDKNNGJDPV-GFCCVEGCSA-N 0 0 302.447 3.695 10 0 DHAERN Fc1ccccc1C1(CNc2nccc(C(F)(F)F)n2)CC1 ZINC000301287208 336298868 /nfs/dbraw/zinc/29/88/68/336298868.db2.gz RFYIVJPJUWFTLF-UHFFFAOYSA-N 0 0 311.282 3.778 10 0 DHAERN Cc1csc(CN(C)c2ncnc3sc4c(c32)CCC4)n1 ZINC000301306050 336299973 /nfs/dbraw/zinc/29/99/73/336299973.db2.gz YOLSQBTWOUTYFY-UHFFFAOYSA-N 0 0 316.455 3.581 10 0 DHAERN CCO[C@H]1C[C@H](N(C)c2cc(Cl)nc(C)n2)C12CCCC2 ZINC000301325221 336300655 /nfs/dbraw/zinc/30/06/55/336300655.db2.gz AHIZRYFSUKITOO-STQMWFEESA-N 0 0 309.841 3.612 10 0 DHAERN CCC(CC)[C@H]1CCN(c2nc(Cl)c(C(=O)OC)s2)C1 ZINC000301366978 336302758 /nfs/dbraw/zinc/30/27/58/336302758.db2.gz OEAUSCGOLFPGAH-JTQLQIEISA-N 0 0 316.854 3.846 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000301440743 336306969 /nfs/dbraw/zinc/30/69/69/336306969.db2.gz MEXIPSKMEXLBRG-GDBMZVCRSA-N 0 0 301.434 3.554 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2c2ccc3nccnc3n2)o1 ZINC000301443620 336307063 /nfs/dbraw/zinc/30/70/63/336307063.db2.gz NGPDYWUBDWNWRZ-DOMZBBRYSA-N 0 0 308.385 3.904 10 0 DHAERN CC[C@@H](Cc1ccc(C)cc1)Nc1ccc2nnc(C3CC3)n2n1 ZINC000301465010 336308495 /nfs/dbraw/zinc/30/84/95/336308495.db2.gz LEKUOBLUDMXJFT-INIZCTEOSA-N 0 0 321.428 3.743 10 0 DHAERN C[C@@]1(CNc2ccc(-c3ccc(F)cc3)nn2)CCCC[C@@H]1O ZINC000301502980 336310996 /nfs/dbraw/zinc/31/09/96/336310996.db2.gz YEFNHAZCUCJFHJ-WMZOPIPTSA-N 0 0 315.392 3.636 10 0 DHAERN CCc1cnc([C@@H](C)Nc2cc(-c3nc(C)no3)ccn2)s1 ZINC000301526371 336312471 /nfs/dbraw/zinc/31/24/71/336312471.db2.gz GCSWRVGECZBDIQ-SECBINFHSA-N 0 0 315.402 3.632 10 0 DHAERN CCc1cnc([C@H](C)Nc2nc3ccccc3c(=O)[nH]2)s1 ZINC000301536851 336313195 /nfs/dbraw/zinc/31/31/95/336313195.db2.gz JCJIWWACQSYHEM-VIFPVBQESA-N 0 0 300.387 3.527 10 0 DHAERN CCc1cnc([C@@H](C)Nc2nc3ccccc3c(=O)[nH]2)s1 ZINC000301536849 336313220 /nfs/dbraw/zinc/31/32/20/336313220.db2.gz JCJIWWACQSYHEM-SECBINFHSA-N 0 0 300.387 3.527 10 0 DHAERN CSc1nc2ncnc(N3CC[C@@H]4CCCC[C@@H]43)c2s1 ZINC000301554867 336314508 /nfs/dbraw/zinc/31/45/08/336314508.db2.gz HEENDVFLKKGXMB-UWVGGRQHSA-N 0 0 306.460 3.577 10 0 DHAERN CSc1nc2ncnc(N3CC[C@H]4CCCC[C@H]43)c2s1 ZINC000301554865 336314580 /nfs/dbraw/zinc/31/45/80/336314580.db2.gz HEENDVFLKKGXMB-NXEZZACHSA-N 0 0 306.460 3.577 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@@H](Nc2ccnc3ccsc32)C1 ZINC000301579858 336316217 /nfs/dbraw/zinc/31/62/17/336316217.db2.gz UKSBTZDKMHJFJG-JGRMJRGVSA-N 0 0 308.472 3.788 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301590018 336316923 /nfs/dbraw/zinc/31/69/23/336316923.db2.gz XGAHVDMEYYMAFB-OKHZJLECSA-N 0 0 320.433 3.866 10 0 DHAERN O[C@H](CNc1nc(-c2ccc(F)cc2)cs1)C1CCCC1 ZINC000301598252 336317287 /nfs/dbraw/zinc/31/72/87/336317287.db2.gz HFPRVQZICNOSGS-OAHLLOKOSA-N 0 0 306.406 3.912 10 0 DHAERN CC(C)n1cnnc1CCNc1nc(-c2ccccc2)cs1 ZINC000301616186 336318495 /nfs/dbraw/zinc/31/84/95/336318495.db2.gz VQAZILSNAPCALY-UHFFFAOYSA-N 0 0 313.430 3.637 10 0 DHAERN Cc1cccc2nc(CNc3ncnc4cccc(C)c43)n(C)c21 ZINC000301646795 336320478 /nfs/dbraw/zinc/32/04/78/336320478.db2.gz DPVRUCULLHIHIX-UHFFFAOYSA-N 0 0 317.396 3.745 10 0 DHAERN CC(C)c1nsc(NCc2cc(Cl)c(Cl)n2C)n1 ZINC000301663142 336321599 /nfs/dbraw/zinc/32/15/99/336321599.db2.gz VKPBOZQBTPTBPX-UHFFFAOYSA-N 0 0 305.234 3.919 10 0 DHAERN Cc1cccc2c(NCc3ccc([S@](C)=O)cc3)cc[nH+]c12 ZINC000301662030 336321607 /nfs/dbraw/zinc/32/16/07/336321607.db2.gz JUNQAHNFDQNZCP-QFIPXVFZSA-N 0 0 310.422 3.893 10 0 DHAERN CSc1ccc(N[C@H]2CC(C)(C)Oc3ccccc32)nn1 ZINC000301666463 336322098 /nfs/dbraw/zinc/32/20/98/336322098.db2.gz OOJFZNVBRDBJEG-LBPRGKRZSA-N 0 0 301.415 3.913 10 0 DHAERN COC(=O)c1ccc(CNc2cc(C)[nH+]c3ccc(F)cc23)o1 ZINC000301668660 336322157 /nfs/dbraw/zinc/32/21/57/336322157.db2.gz MSVJCKZOUULOLT-UHFFFAOYSA-N 0 0 314.316 3.674 10 0 DHAERN CCS[C@@H]1CC[C@]1(O)CNc1cc(C)nc2c(F)cccc12 ZINC000301667867 336322159 /nfs/dbraw/zinc/32/21/59/336322159.db2.gz MJTHKMNZYIPFCN-WBVHZDCISA-N 0 0 320.433 3.741 10 0 DHAERN CCNC(=O)c1ccc(N[C@H](C)c2cc(C)c(CC)s2)nc1 ZINC000301771647 336328758 /nfs/dbraw/zinc/32/87/58/336328758.db2.gz LELQBWJJWGLGOF-GFCCVEGCSA-N 0 0 317.458 3.937 10 0 DHAERN CO[C@@H]1CCC[C@@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000301772767 336328779 /nfs/dbraw/zinc/32/87/79/336328779.db2.gz KCCITVZRSSZMIV-HUUCEWRRSA-N 0 0 301.365 3.652 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000301775871 336329018 /nfs/dbraw/zinc/32/90/18/336329018.db2.gz LGQDCWFYNOEFTM-HOTGVXAUSA-N 0 0 312.417 3.525 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2cc(-c3nc(C(C)C)no3)ccn2)C1 ZINC000301792880 336330234 /nfs/dbraw/zinc/33/02/34/336330234.db2.gz RWWPIMYQUABOFA-KGLIPLIRSA-N 0 0 316.405 3.625 10 0 DHAERN Clc1ccc(Oc2nc(-c3ccncc3)nc3c2CCC3)cn1 ZINC000301796288 336330469 /nfs/dbraw/zinc/33/04/69/336330469.db2.gz YTTVXZDHQIWYJZ-UHFFFAOYSA-N 0 0 324.771 3.868 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nccc(Oc3ccc(F)cc3)n2)C1 ZINC000301803420 336331194 /nfs/dbraw/zinc/33/11/94/336331194.db2.gz XIGZKENFJBTNBC-DZGCQCFKSA-N 0 0 317.364 3.778 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000301811164 336331556 /nfs/dbraw/zinc/33/15/56/336331556.db2.gz ZWFOCZOUYCWZPA-JKSUJKDBSA-N 0 0 312.417 3.525 10 0 DHAERN Fc1ccccc1NC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000301850119 336334043 /nfs/dbraw/zinc/33/40/43/336334043.db2.gz AUQVUZBHTKLSMN-UHFFFAOYSA-N 0 0 310.376 3.783 10 0 DHAERN COc1ccccc1C[C@@H]1CCCN1c1nc2ccccc2[nH]1 ZINC000301858110 336334481 /nfs/dbraw/zinc/33/44/81/336334481.db2.gz DQOSVXVHQUDQAB-HNNXBMFYSA-N 0 0 307.397 3.783 10 0 DHAERN C[C@H](Nc1nc2ccccc2[nH]1)c1cccc(-n2ccnc2)c1 ZINC000301872544 336335416 /nfs/dbraw/zinc/33/54/16/336335416.db2.gz JERGLLDIZJZAPT-ZDUSSCGKSA-N 0 0 303.369 3.922 10 0 DHAERN CCOC(=O)c1cccc(Oc2ncnc3ccc(C)cc32)c1 ZINC000301932688 336338639 /nfs/dbraw/zinc/33/86/39/336338639.db2.gz PLHDXSRFAGRNHR-UHFFFAOYSA-N 0 0 308.337 3.907 10 0 DHAERN CCC[C@@H](CC(=O)OC)Nc1ncnc2c3ccccc3oc21 ZINC000301955806 336339854 /nfs/dbraw/zinc/33/98/54/336339854.db2.gz KYVFNYKSMGCFRD-NSHDSACASA-N 0 0 313.357 3.520 10 0 DHAERN C[C@@H](Nc1ccc2nnc(-c3ccccc3F)n2n1)C(C)(C)C ZINC000301956788 336339923 /nfs/dbraw/zinc/33/99/23/336339923.db2.gz MZRHWBWXXMPVBR-LLVKDONJSA-N 0 0 313.380 3.777 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nnc(Cc3ccccc3F)s2)C1 ZINC000302073705 336347075 /nfs/dbraw/zinc/34/70/75/336347075.db2.gz HXCMUSSLQWQXOL-QWHCGFSZSA-N 0 0 321.421 3.638 10 0 DHAERN C[C@@H]1CCN(c2nc(-c3ccccc3Cl)cs2)C[C@@H]1O ZINC000302119323 336349386 /nfs/dbraw/zinc/34/93/86/336349386.db2.gz CYWFVBDTOYKKEP-YGRLFVJLSA-N 0 0 308.834 3.671 10 0 DHAERN Fc1ccccc1Cc1nnc(N2CCCC3(CC3)C2)s1 ZINC000302261032 336356412 /nfs/dbraw/zinc/35/64/12/336356412.db2.gz PMIIUJVQRLGQHU-UHFFFAOYSA-N 0 0 303.406 3.648 10 0 DHAERN Cn1cc(Oc2nc(-c3cccs3)nc3ccccc32)cn1 ZINC000302273899 336356529 /nfs/dbraw/zinc/35/65/29/336356529.db2.gz HLJVIFYEYROCGQ-UHFFFAOYSA-N 0 0 308.366 3.884 10 0 DHAERN CCOc1cc(N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)ncn1 ZINC000302268678 336356541 /nfs/dbraw/zinc/35/65/41/336356541.db2.gz GLWJVDOMAWBYHB-OCCSQVGLSA-N 0 0 301.390 3.754 10 0 DHAERN CC(C)Cc1nsc(N[C@H]2CCO[C@H]2c2ccccc2)n1 ZINC000302285268 336356685 /nfs/dbraw/zinc/35/66/85/336356685.db2.gz LKMGCGBTHAGIRT-ZFWWWQNUSA-N 0 0 303.431 3.679 10 0 DHAERN COC(=O)c1ccc(CNc2c(C)c[nH+]c3c(C)cccc23)o1 ZINC000302729392 336366882 /nfs/dbraw/zinc/36/68/82/336366882.db2.gz QZMUUMLWMHLFHH-UHFFFAOYSA-N 0 0 310.353 3.843 10 0 DHAERN CC[C@H](Nc1ccc(C(=O)OC)c(OC)n1)c1cccs1 ZINC000302806354 336369951 /nfs/dbraw/zinc/36/99/51/336369951.db2.gz FXAHFHMDTIRWRH-NSHDSACASA-N 0 0 306.387 3.502 10 0 DHAERN CCC[C@]1(COC)CCCN1c1ncnc2c(F)cccc21 ZINC000302834640 336371394 /nfs/dbraw/zinc/37/13/94/336371394.db2.gz UDHHPGWPFROYOF-QGZVFWFLSA-N 0 0 303.381 3.554 10 0 DHAERN CCOC1CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC1 ZINC000302898663 336373688 /nfs/dbraw/zinc/37/36/88/336373688.db2.gz PYROVSJTPMMAMX-UHFFFAOYSA-N 0 0 305.466 3.903 10 0 DHAERN Fc1cccc2c1ncnc2N1CCC(Oc2ccccc2)CC1 ZINC000302902925 336373933 /nfs/dbraw/zinc/37/39/33/336373933.db2.gz RFPYABLRMNEFJO-UHFFFAOYSA-N 0 0 323.371 3.817 10 0 DHAERN C[C@H](N[C@@H](C)C(F)(F)F)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000389492938 336396687 /nfs/dbraw/zinc/39/66/87/336396687.db2.gz UWMFCPXALQZOEP-SRVKXCTJSA-N 0 0 324.387 3.562 10 0 DHAERN Cc1cc(CN2C[C@@H](C)Oc3ccc(Br)cc32)no1 ZINC000193222581 336690850 /nfs/dbraw/zinc/69/08/50/336690850.db2.gz CZDMQMQGANXTHI-SNVBAGLBSA-N 0 0 323.190 3.533 10 0 DHAERN O=C(c1csc(C2CC2)n1)N1CCCC[C@H]1c1nccs1 ZINC000115363729 336824067 /nfs/dbraw/zinc/82/40/67/336824067.db2.gz PXYUKBSVUBIYMR-LBPRGKRZSA-N 0 0 319.455 3.844 10 0 DHAERN C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccco1 ZINC000116040572 336830327 /nfs/dbraw/zinc/83/03/27/336830327.db2.gz CSPDPBMTBHPRKG-WFASDCNBSA-N 0 0 303.333 3.550 10 0 DHAERN Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000116044755 336830599 /nfs/dbraw/zinc/83/05/99/336830599.db2.gz FGCCBZDYUSIYNZ-SNVBAGLBSA-N 0 0 313.184 3.902 10 0 DHAERN O=C(N[C@H]1CCc2cc(F)ccc21)N1CCC[C@@H]1c1ccco1 ZINC000116424075 336840255 /nfs/dbraw/zinc/84/02/55/336840255.db2.gz MKUWROMYIDZTJV-JKSUJKDBSA-N 0 0 314.360 3.953 10 0 DHAERN C[S@@](=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1F ZINC000119326845 336885663 /nfs/dbraw/zinc/88/56/63/336885663.db2.gz XLMPQHQXNUWFGO-SOHPYSCWSA-N 0 0 323.433 3.718 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2ccc(-c3ccccc3)nn2)o1 ZINC000120318859 336908360 /nfs/dbraw/zinc/90/83/60/336908360.db2.gz PWEBYMIWOJVWRX-ZDUSSCGKSA-N 0 0 322.368 3.928 10 0 DHAERN Cc1ccc([C@H]2CCCN2C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)o1 ZINC000374224940 336984269 /nfs/dbraw/zinc/98/42/69/336984269.db2.gz ZYUFICSIWCBUOG-VFSICIBPSA-N 0 0 315.413 3.647 10 0 DHAERN O=C(N1CCO[C@H]2CCCC[C@@H]21)C1(Cc2ccccc2)CCC1 ZINC000122026972 336990863 /nfs/dbraw/zinc/99/08/63/336990863.db2.gz BFQSVEMNXHAHGO-ROUUACIJSA-N 0 0 313.441 3.569 10 0 DHAERN Cc1cnn([C@@H]2CCCN(Cc3ccc(Cl)c(F)c3)C2)c1 ZINC000123102056 337037824 /nfs/dbraw/zinc/03/78/24/337037824.db2.gz YIOWXDVJDBBIOW-CQSZACIVSA-N 0 0 307.800 3.821 10 0 DHAERN Cc1ccc(CC(=O)N[C@H]2c3ccccc3CCC2(C)C)cn1 ZINC000123349701 337045004 /nfs/dbraw/zinc/04/50/04/337045004.db2.gz PZMOPCXAODZJTM-IBGZPJMESA-N 0 0 308.425 3.762 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCOC[C@H]1C)c1ccc(Cl)c(Cl)c1 ZINC000193852461 337079603 /nfs/dbraw/zinc/07/96/03/337079603.db2.gz DTSSSERTCCLRAN-SCVCMEIPSA-N 0 0 316.228 3.843 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000193838857 337079645 /nfs/dbraw/zinc/07/96/45/337079645.db2.gz OHRJASQDOPKWGL-MPGHIAIKSA-N 0 0 303.446 3.735 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)c2cccc(OCC(C)C)c2)cs1 ZINC000170496983 337083270 /nfs/dbraw/zinc/08/32/70/337083270.db2.gz MYSRKGAZLKVCNH-GFCCVEGCSA-N 0 0 318.442 3.977 10 0 DHAERN CSCc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000171280927 337086165 /nfs/dbraw/zinc/08/61/65/337086165.db2.gz NQAMEKLWFSDAQL-HNNXBMFYSA-N 0 0 314.410 3.805 10 0 DHAERN Cc1nc(-c2ccsc2)ccc1C(=O)N1CCS[C@@H](C)C1 ZINC000171567789 337088121 /nfs/dbraw/zinc/08/81/21/337088121.db2.gz JMLLWAJKLNHRJT-NSHDSACASA-N 0 0 318.467 3.696 10 0 DHAERN C/C(=C\C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C)c1ccccc1 ZINC000171819696 337089352 /nfs/dbraw/zinc/08/93/52/337089352.db2.gz IHXHVIOIWUMZHX-JKGDOXCYSA-N 0 0 323.440 3.804 10 0 DHAERN Brc1ccc(CN2CCC[C@@H]2c2ccco2)nc1 ZINC000172030163 337091084 /nfs/dbraw/zinc/09/10/84/337091084.db2.gz RWFZOEHVJSRCSI-CYBMUJFWSA-N 0 0 307.191 3.774 10 0 DHAERN Brc1ccc(CN2CCC[C@H]2c2ccco2)nc1 ZINC000172030160 337091095 /nfs/dbraw/zinc/09/10/95/337091095.db2.gz RWFZOEHVJSRCSI-ZDUSSCGKSA-N 0 0 307.191 3.774 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2ccsc2)C12CCCC2 ZINC000172601476 337130245 /nfs/dbraw/zinc/13/02/45/337130245.db2.gz DYQQUUROIIJNJQ-CABCVRRESA-N 0 0 322.474 3.627 10 0 DHAERN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)[C@@H](C)C2)n1C ZINC000172943823 337132540 /nfs/dbraw/zinc/13/25/40/337132540.db2.gz VEJVTUQXKFIULH-RDJZCZTQSA-N 0 0 312.461 3.564 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000173121337 337134399 /nfs/dbraw/zinc/13/43/99/337134399.db2.gz ZLSCOGWIXIJUIB-JKSUJKDBSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 ZINC000173410406 337135062 /nfs/dbraw/zinc/13/50/62/337135062.db2.gz QMBXOENOSVKDNN-CYBMUJFWSA-N 0 0 304.415 3.681 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 ZINC000173406574 337135117 /nfs/dbraw/zinc/13/51/17/337135117.db2.gz BOFFAIIEXISJLA-CYBMUJFWSA-N 0 0 318.417 3.919 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2)n1 ZINC000173417471 337135229 /nfs/dbraw/zinc/13/52/29/337135229.db2.gz VIZBEIRXNXVNMY-LLVKDONJSA-N 0 0 321.833 3.520 10 0 DHAERN CCN(CC)C(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173461324 337135458 /nfs/dbraw/zinc/13/54/58/337135458.db2.gz WGTNKOJSCLVPBD-CYBMUJFWSA-N 0 0 309.479 3.908 10 0 DHAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC2(CCCC2)C1 ZINC000173757286 337136018 /nfs/dbraw/zinc/13/60/18/337136018.db2.gz AZDBISRXQISGST-KGLIPLIRSA-N 0 0 305.368 3.861 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000173573348 337136512 /nfs/dbraw/zinc/13/65/12/337136512.db2.gz TTXDGNUEWUMMPH-SJORKVTESA-N 0 0 305.466 3.962 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000173601024 337136762 /nfs/dbraw/zinc/13/67/62/337136762.db2.gz HRSKBWYEEHEWBH-JKSUJKDBSA-N 0 0 320.481 3.611 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC(c2ccnn2C)CC1 ZINC000173630195 337136947 /nfs/dbraw/zinc/13/69/47/337136947.db2.gz DEKWXDBSEFAFGG-OAHLLOKOSA-N 0 0 305.466 3.733 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c(C)c1 ZINC000173938636 337137679 /nfs/dbraw/zinc/13/76/79/337137679.db2.gz HKXQAWNXLURXCX-MRXNPFEDSA-N 0 0 319.408 3.980 10 0 DHAERN COCCCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173956507 337137823 /nfs/dbraw/zinc/13/78/23/337137823.db2.gz HPCGJXWCHVIOCS-AWEZNQCLSA-N 0 0 324.490 3.789 10 0 DHAERN COc1c(C)cnc(CNC(C)(C)c2nc(C)c(C)s2)c1C ZINC000173958314 337137976 /nfs/dbraw/zinc/13/79/76/337137976.db2.gz GVOSPRIJYBXBNX-UHFFFAOYSA-N 0 0 319.474 3.805 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)NCCCCC2CCCC2)cn1 ZINC000174203997 337139816 /nfs/dbraw/zinc/13/98/16/337139816.db2.gz TZJVRRMLJWTHFU-QGZVFWFLSA-N 0 0 318.465 3.627 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC000175383772 337145726 /nfs/dbraw/zinc/14/57/26/337145726.db2.gz ZDAATQICCBYOJC-HNNXBMFYSA-N 0 0 305.466 3.773 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)CCc3ccoc3)C2)n1 ZINC000175413773 337145819 /nfs/dbraw/zinc/14/58/19/337145819.db2.gz QQNLNDNLKYSPHP-AWEZNQCLSA-N 0 0 318.442 3.637 10 0 DHAERN CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H]1c1ccco1 ZINC000175704354 337147197 /nfs/dbraw/zinc/14/71/97/337147197.db2.gz ZZVDNIXBVPRCNL-GJZGRUSLSA-N 0 0 317.360 3.940 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)Nc2ccccc2F)no1 ZINC000176330401 337150967 /nfs/dbraw/zinc/15/09/67/337150967.db2.gz MENFNDBRKGDXFG-ZDUSSCGKSA-N 0 0 318.352 3.701 10 0 DHAERN CCn1cc(C2CCN(C(=O)CC3CCCCCC3)CC2)cn1 ZINC000176678896 337152740 /nfs/dbraw/zinc/15/27/40/337152740.db2.gz PUPUKQKLAJXQFZ-UHFFFAOYSA-N 0 0 317.477 3.970 10 0 DHAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3[C@H](C)COC[C@H]3C)c2c1 ZINC000176889585 337153546 /nfs/dbraw/zinc/15/35/46/337153546.db2.gz QNWKTLCKJFWTDO-ZIAGYGMSSA-N 0 0 324.424 3.670 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177187041 337154507 /nfs/dbraw/zinc/15/45/07/337154507.db2.gz JPROALUHXMXRIC-WBVHZDCISA-N 0 0 305.466 3.789 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177210958 337154863 /nfs/dbraw/zinc/15/48/63/337154863.db2.gz UPTMUHUYAFPBRD-IAGOWNOFSA-N 0 0 305.466 3.789 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)NC2CCCCCC2)no1 ZINC000177341596 337156960 /nfs/dbraw/zinc/15/69/60/337156960.db2.gz GQBQTCGIQYGZCR-CQSZACIVSA-N 0 0 320.437 3.762 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000177958166 337159364 /nfs/dbraw/zinc/15/93/64/337159364.db2.gz TVRWLKPFOVXLNL-YVEFUNNKSA-N 0 0 301.386 3.521 10 0 DHAERN CSCc1cc(-c2nc(-c3ccncc3)no2)ccc1F ZINC000178217989 337161338 /nfs/dbraw/zinc/16/13/38/337161338.db2.gz PYEANLXMKPAKSH-UHFFFAOYSA-N 0 0 301.346 3.801 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)o1 ZINC000179130224 337167903 /nfs/dbraw/zinc/16/79/03/337167903.db2.gz WAILMGUDUWPUIJ-YDHLFZDLSA-N 0 0 314.385 3.513 10 0 DHAERN Cc1csc([C@@H]2CN(CC(C)(C)c3ccccc3)CCO2)n1 ZINC000179974908 337172937 /nfs/dbraw/zinc/17/29/37/337172937.db2.gz JWJSJKLJNVTFFB-INIZCTEOSA-N 0 0 316.470 3.803 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427284 337174369 /nfs/dbraw/zinc/17/43/69/337174369.db2.gz HSCNWCSUHJWDNF-OAHLLOKOSA-N 0 0 322.861 3.987 10 0 DHAERN Cc1nc(CCNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)sc1C ZINC000180464749 337174895 /nfs/dbraw/zinc/17/48/95/337174895.db2.gz BRZYZFAIAXWUEQ-FZMZJTMJSA-N 0 0 308.491 3.881 10 0 DHAERN COCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180332208 337175911 /nfs/dbraw/zinc/17/59/11/337175911.db2.gz OGJTUJMWLJBWFE-DOTOQJQBSA-N 0 0 318.461 3.519 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000180520638 337176196 /nfs/dbraw/zinc/17/61/96/337176196.db2.gz BFAFDDBOUHDTLC-CVEARBPZSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCO3)s2)o1 ZINC000180642899 337176915 /nfs/dbraw/zinc/17/69/15/337176915.db2.gz BPZOJHGSVXPMRL-RYUDHWBXSA-N 0 0 305.399 3.614 10 0 DHAERN CCc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180648191 337176945 /nfs/dbraw/zinc/17/69/45/337176945.db2.gz IMKSGTUWMXRGJX-OLZOCXBDSA-N 0 0 318.490 3.691 10 0 DHAERN C[C@@H](NC(=O)c1cn(C)nc1-c1ccccc1)c1cccs1 ZINC000180641663 337177008 /nfs/dbraw/zinc/17/70/08/337177008.db2.gz ARSSFYDCCCRDCE-GFCCVEGCSA-N 0 0 311.410 3.640 10 0 DHAERN C[C@@H](NCc1nc2ccccc2o1)c1cccc(-n2ccnc2)c1 ZINC000180656199 337177194 /nfs/dbraw/zinc/17/71/94/337177194.db2.gz DBGOHYMEOVNYFU-CQSZACIVSA-N 0 0 318.380 3.864 10 0 DHAERN CCCn1cc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000180766574 337177690 /nfs/dbraw/zinc/17/76/90/337177690.db2.gz FZNDHCXKDXSGNZ-JTQLQIEISA-N 0 0 309.772 3.577 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N(C)c2cccnc2N(C)C)CC(C)(C)C1 ZINC000180971561 337178898 /nfs/dbraw/zinc/17/88/98/337178898.db2.gz UYKWKGPSCSHFBB-UONOGXRCSA-N 0 0 303.450 3.573 10 0 DHAERN Cc1csc([C@@H]2CN(CCCc3cccc(C)c3)CCO2)n1 ZINC000181043155 337179389 /nfs/dbraw/zinc/17/93/89/337179389.db2.gz UERXSAKEYNUSDT-KRWDZBQOSA-N 0 0 316.470 3.766 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)NCCCc1ccccn1)[C@@H](C)C2 ZINC000181664896 337183633 /nfs/dbraw/zinc/18/36/33/337183633.db2.gz VMIHNMXIXUOYNX-KXBFYZLASA-N 0 0 323.440 3.555 10 0 DHAERN Clc1cnc(CN2CCO[C@H]3CCCC[C@@H]32)c(Cl)c1 ZINC000182051326 337185885 /nfs/dbraw/zinc/18/58/85/337185885.db2.gz ZKOHSRFCDYEYOY-KBPBESRZSA-N 0 0 301.217 3.532 10 0 DHAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000183006092 337191113 /nfs/dbraw/zinc/19/11/13/337191113.db2.gz PENATQWNUFCFDD-UKRRQHHQSA-N 0 0 306.454 3.861 10 0 DHAERN Cc1nccn1CCCCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183988270 337194275 /nfs/dbraw/zinc/19/42/75/337194275.db2.gz LPFMCEWTPVAGFH-GOEBONIOSA-N 0 0 305.466 3.550 10 0 DHAERN C[C@H]1C[C@@H](C(=O)N2CCC(Cn3cccn3)CC2)CC(C)(C)C1 ZINC000183888892 337195145 /nfs/dbraw/zinc/19/51/45/337195145.db2.gz IGXNTCMQKLMRTJ-DOTOQJQBSA-N 0 0 317.477 3.584 10 0 DHAERN C[C@@H](NC(=O)Nc1ccncc1F)c1ccc(F)c(Cl)c1 ZINC000184189211 337196713 /nfs/dbraw/zinc/19/67/13/337196713.db2.gz WIHUWHQJJVSZAF-MRVPVSSYSA-N 0 0 311.719 3.896 10 0 DHAERN CCCc1cnc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000184065447 337197077 /nfs/dbraw/zinc/19/70/77/337197077.db2.gz KGKDPVIMGFCANB-CYBMUJFWSA-N 0 0 319.434 3.578 10 0 DHAERN CC(C)[C@H](O)CC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184602505 337199370 /nfs/dbraw/zinc/19/93/70/337199370.db2.gz KPAPOLDGUODAAN-LLVKDONJSA-N 0 0 309.715 3.704 10 0 DHAERN Cc1nnc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)s1 ZINC000185366588 337204494 /nfs/dbraw/zinc/20/44/94/337204494.db2.gz CDBMSFCAFURARX-JTQLQIEISA-N 0 0 303.431 3.635 10 0 DHAERN Cc1nccnc1[C@@H](C)N[C@H](c1ccccc1)c1cccnc1 ZINC000187947130 337269000 /nfs/dbraw/zinc/26/90/00/337269000.db2.gz XRETXCMUBBLLES-DNVCBOLYSA-N 0 0 304.397 3.620 10 0 DHAERN CCC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187738981 337269637 /nfs/dbraw/zinc/26/96/37/337269637.db2.gz XCFADBHWMRSOBT-JSGCOSHPSA-N 0 0 304.463 3.868 10 0 DHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089208 337270397 /nfs/dbraw/zinc/27/03/97/337270397.db2.gz PNBJEHFIFHPAKI-WFASDCNBSA-N 0 0 302.397 3.555 10 0 DHAERN CC(C)c1n[nH]cc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000189231091 337277482 /nfs/dbraw/zinc/27/74/82/337277482.db2.gz PUOVZTDESXRJBS-VIFPVBQESA-N 0 0 309.772 3.817 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc2cccc(Cl)c2n1 ZINC000190099216 337284510 /nfs/dbraw/zinc/28/45/10/337284510.db2.gz JAAATEYANPXJGA-CMPLNLGQSA-N 0 0 304.777 3.642 10 0 DHAERN Cc1cc(Br)cc(NC(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000190398943 337285861 /nfs/dbraw/zinc/28/58/61/337285861.db2.gz DKAVPMNSSSQXTO-GXFFZTMASA-N 0 0 312.207 3.511 10 0 DHAERN Cc1cc(Br)cc(NC(=O)[C@H]2CCCO[C@@H]2C)c1 ZINC000190398927 337285894 /nfs/dbraw/zinc/28/58/94/337285894.db2.gz DKAVPMNSSSQXTO-MFKMUULPSA-N 0 0 312.207 3.511 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000190776691 337290726 /nfs/dbraw/zinc/29/07/26/337290726.db2.gz BFFQSYDFTLIZJF-HQJQHLMTSA-N 0 0 304.173 3.508 10 0 DHAERN CC[C@H](NC(=O)c1ccoc1Br)c1ccccc1 ZINC000234037211 337296738 /nfs/dbraw/zinc/29/67/38/337296738.db2.gz HMAQMCFPFWFAOQ-LBPRGKRZSA-N 0 0 308.175 3.923 10 0 DHAERN Cc1nc(CC2CC2)sc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000191705388 337300716 /nfs/dbraw/zinc/30/07/16/337300716.db2.gz MHESFIVFTHQBEW-ZDUSSCGKSA-N 0 0 316.426 3.974 10 0 DHAERN CCn1cc([C@H]2CN(Cc3ccc(C(C)C)cc3)CCO2)cn1 ZINC000191704567 337300768 /nfs/dbraw/zinc/30/07/68/337300768.db2.gz KEQYKHKCEONRBI-LJQANCHMSA-N 0 0 313.445 3.600 10 0 DHAERN COc1ccc(Cl)c(CN2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000192009857 337302078 /nfs/dbraw/zinc/30/20/78/337302078.db2.gz ZBXILYDRLGLUOR-HNNXBMFYSA-N 0 0 319.836 3.691 10 0 DHAERN Cc1cnc([C@@H](C)Nc2ncc(Br)cc2Cl)o1 ZINC000235261361 337308153 /nfs/dbraw/zinc/30/81/53/337308153.db2.gz OCHXTNSWLLWEKB-SSDOTTSWSA-N 0 0 316.586 3.967 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113904 337308261 /nfs/dbraw/zinc/30/82/61/337308261.db2.gz DRPQQZXZJMJSSD-CABCVRRESA-N 0 0 304.434 3.634 10 0 DHAERN FCCOc1ccc2cc(-n3ccc4ccncc43)ncc2c1 ZINC000584605753 337371582 /nfs/dbraw/zinc/37/15/82/337371582.db2.gz QGDGGODXTOURLA-UHFFFAOYSA-N 0 0 307.328 3.922 10 0 DHAERN COc1cc2cc(C)nc([C@H](O)c3ccccc3)c2cc1OC ZINC000584620042 337371762 /nfs/dbraw/zinc/37/17/62/337371762.db2.gz YUFYYHQDCIIMDN-LJQANCHMSA-N 0 0 309.365 3.642 10 0 DHAERN O=C(c1cscc1Br)c1nc2ccccc2o1 ZINC000584609382 337372033 /nfs/dbraw/zinc/37/20/33/337372033.db2.gz HGHNAYZSKLWLMA-UHFFFAOYSA-N 0 0 308.156 3.883 10 0 DHAERN Cn1cc(-c2ccc(-c3cncc4ccc(=S)[nH]c43)cc2)cn1 ZINC000584615969 337372881 /nfs/dbraw/zinc/37/28/81/337372881.db2.gz IIOCFQNOMYFFIL-UHFFFAOYSA-N 0 0 318.405 3.986 10 0 DHAERN Cc1c2cc(F)cc(-c3ccc(F)c(C)c3)c2[nH]c1C(N)=O ZINC000584618692 337373260 /nfs/dbraw/zinc/37/32/60/337373260.db2.gz LZVIQLFNWJJDDU-UHFFFAOYSA-N 0 0 300.308 3.829 10 0 DHAERN O=C1Nc2ccc(F)cc2O[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584626323 337376047 /nfs/dbraw/zinc/37/60/47/337376047.db2.gz KCUBYQLAHSTDNS-CYBMUJFWSA-N 0 0 311.234 3.917 10 0 DHAERN O=C1Nc2ccccc2S[C@@H]1c1ccc(C(F)(F)F)nc1 ZINC000584626223 337376102 /nfs/dbraw/zinc/37/61/02/337376102.db2.gz FLWITCARDXRSJD-GFCCVEGCSA-N 0 0 310.300 3.886 10 0 DHAERN Cc1ccc(N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c(N)c1 ZINC000584654353 337377747 /nfs/dbraw/zinc/37/77/47/337377747.db2.gz BPRFHNSTNWWLKQ-CQSZACIVSA-N 0 0 319.449 3.779 10 0 DHAERN C=Cc1ccc2c(c1)[C@@H](Nc1ncc3c(n1)CCCC3=O)CC2 ZINC000584637296 337379398 /nfs/dbraw/zinc/37/93/98/337379398.db2.gz TUMZHBHWJLLEOP-KRWDZBQOSA-N 0 0 305.381 3.738 10 0 DHAERN O=C1CCCc2nc(N[C@@H]3CCc4ccc(Cl)cc43)ncc21 ZINC000584637199 337379429 /nfs/dbraw/zinc/37/94/29/337379429.db2.gz LASLPFRQUSVFGY-OAHLLOKOSA-N 0 0 313.788 3.748 10 0 DHAERN CCCC[C@@H](CC)CN1C(=O)c2cc3nsnc3cc2C1=O ZINC000584638507 337379650 /nfs/dbraw/zinc/37/96/50/337379650.db2.gz BYKVLTJCGQJSIJ-SNVBAGLBSA-N 0 0 317.414 3.504 10 0 DHAERN C[C@@H]1C[C@]2(Cc3ccc(Br)cc3C2=O)C[C@H](C)C1=O ZINC000584641351 337380076 /nfs/dbraw/zinc/38/00/76/337380076.db2.gz VGHSAHAGIACVBP-WRBXQSRGSA-N 0 0 321.214 3.809 10 0 DHAERN CCCCOC(=O)[C@H]1CC[C@H]([C@](C)(O)c2nccs2)CC1 ZINC000584644303 337380246 /nfs/dbraw/zinc/38/02/46/337380246.db2.gz DPICWFNMDIIHJN-XEZPLFJOSA-N 0 0 311.447 3.500 10 0 DHAERN CCCCOC(=O)[C@H]1CC[C@H]([C@@](C)(O)c2nccs2)CC1 ZINC000584644304 337380289 /nfs/dbraw/zinc/38/02/89/337380289.db2.gz DPICWFNMDIIHJN-XJKCOSOUSA-N 0 0 311.447 3.500 10 0 DHAERN Cc1cc2[nH]c(C(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2c(C)c1 ZINC000113895193 337391329 /nfs/dbraw/zinc/39/13/29/337391329.db2.gz TWVPUBZXXDAKPH-SFHVURJKSA-N 0 0 322.412 3.875 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000113897720 337391331 /nfs/dbraw/zinc/39/13/31/337391331.db2.gz NEFCEGJNZHLQEE-GOSISDBHSA-N 0 0 311.429 3.795 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1cccc(C)c1 ZINC000114511327 337391641 /nfs/dbraw/zinc/39/16/41/337391641.db2.gz WSULDEWIFDUHDO-MRXNPFEDSA-N 0 0 312.417 3.714 10 0 DHAERN CC(C)Cc1nc(C(=O)N2CCC[C@H]2c2ccco2)cs1 ZINC000116041464 337392211 /nfs/dbraw/zinc/39/22/11/337392211.db2.gz WYGQVQIYCCPARI-ZDUSSCGKSA-N 0 0 304.415 3.912 10 0 DHAERN CC(C)Oc1ccccc1CC(=O)N1CCC[C@H]1c1ccco1 ZINC000116048409 337392245 /nfs/dbraw/zinc/39/22/45/337392245.db2.gz KDUSVLIAPVWUOQ-INIZCTEOSA-N 0 0 313.397 3.973 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccnc(C)c3)C2)n1 ZINC000119918418 337395241 /nfs/dbraw/zinc/39/52/41/337395241.db2.gz ZHIJDBBVAYTBDI-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN O=C(c1ccc(Cl)cc1)N1CCC(c2nccs2)CC1 ZINC000040623460 337398718 /nfs/dbraw/zinc/39/87/18/337398718.db2.gz XKZAAAIDUXXPQE-UHFFFAOYSA-N 0 0 306.818 3.816 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)Nc2cnn(C)c2)cc1 ZINC000124956554 337408504 /nfs/dbraw/zinc/40/85/04/337408504.db2.gz AYYYTOXEFLRGRS-ZDUSSCGKSA-N 0 0 300.406 3.501 10 0 DHAERN Cc1ccccc1[C@H](C)CC(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000125399979 337411390 /nfs/dbraw/zinc/41/13/90/337411390.db2.gz YOOMZAWHIGDMFI-OAHLLOKOSA-N 0 0 311.429 3.618 10 0 DHAERN CCC[C@@H](C(=O)N1CCC(c2cc[nH]n2)CC1)c1ccccc1 ZINC000125611321 337413077 /nfs/dbraw/zinc/41/30/77/337413077.db2.gz ZYMZYIFNNDGCPJ-QGZVFWFLSA-N 0 0 311.429 3.700 10 0 DHAERN O=C(CCc1ccc(Cl)s1)N[C@H]1CCOc2ccccc21 ZINC000044339328 337416186 /nfs/dbraw/zinc/41/61/86/337416186.db2.gz XIPXFUCPXSBACU-ZDUSSCGKSA-N 0 0 321.829 3.974 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)c1cc(-c2cccnc2)on1 ZINC000045765600 337421995 /nfs/dbraw/zinc/42/19/95/337421995.db2.gz YVNSCGQHPOAXOT-ZDUSSCGKSA-N 0 0 307.353 3.536 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OC(C)C)cc2)o1 ZINC000048059983 337432317 /nfs/dbraw/zinc/43/23/17/337432317.db2.gz HCYIZUHIHUFAPO-CQSZACIVSA-N 0 0 316.401 3.936 10 0 DHAERN CCc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)s1 ZINC000131147301 337436516 /nfs/dbraw/zinc/43/65/16/337436516.db2.gz POXOTTGCBRGXTO-RYUDHWBXSA-N 0 0 304.463 3.650 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(COCc3ccco3)c2)O1 ZINC000132913156 337443680 /nfs/dbraw/zinc/44/36/80/337443680.db2.gz CHCQNDXGYOKAPG-CXAGYDPISA-N 0 0 315.369 3.502 10 0 DHAERN C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)c(Cl)c1 ZINC000055743315 337455636 /nfs/dbraw/zinc/45/56/36/337455636.db2.gz CWPGEUCISZQOBE-SECBINFHSA-N 0 0 317.751 3.846 10 0 DHAERN C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)c1ccncc1 ZINC000056794839 337457342 /nfs/dbraw/zinc/45/73/42/337457342.db2.gz SZQIKOQDVOEZHI-DYVFJYSZSA-N 0 0 313.376 3.828 10 0 DHAERN O=C(c1cccs1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555126 337460197 /nfs/dbraw/zinc/46/01/97/337460197.db2.gz YWJZVUJKDCLJQA-CQSZACIVSA-N 0 0 301.411 3.679 10 0 DHAERN C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@H]1COc2ccccc21 ZINC000194701364 337463387 /nfs/dbraw/zinc/46/33/87/337463387.db2.gz JBIZNHAWUWDOQL-WBMJQRKESA-N 0 0 314.360 3.662 10 0 DHAERN Cc1cc(CS(=O)(=O)c2ccc3c(c2)CCC3)c(C)s1 ZINC000194799965 337463584 /nfs/dbraw/zinc/46/35/84/337463584.db2.gz ZUDASWJWBMKBJB-UHFFFAOYSA-N 0 0 306.452 3.828 10 0 DHAERN Cc1ccccc1NC(=O)CN1CCCC[C@H]1c1nccs1 ZINC000195368291 337466411 /nfs/dbraw/zinc/46/64/11/337466411.db2.gz IFTOGEDUNZCDBQ-HNNXBMFYSA-N 0 0 315.442 3.617 10 0 DHAERN CCOc1ccccc1CN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195375188 337466419 /nfs/dbraw/zinc/46/64/19/337466419.db2.gz NXWKFDYFEOWUSI-HNNXBMFYSA-N 0 0 315.417 3.929 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCc3ccccc32)CCO1 ZINC000245716322 337490165 /nfs/dbraw/zinc/49/01/65/337490165.db2.gz ODHXAHINGDINMV-JZXOWHBKSA-N 0 0 301.430 3.776 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)O1 ZINC000246037455 337506995 /nfs/dbraw/zinc/50/69/95/337506995.db2.gz ONCHGDSOJHNESM-RLCCDNCMSA-N 0 0 307.821 3.865 10 0 DHAERN Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000246291064 337529718 /nfs/dbraw/zinc/52/97/18/337529718.db2.gz FITVWHUUYLLCEH-CDHAZOANSA-N 0 0 311.429 3.816 10 0 DHAERN CC(=O)c1ccccc1C(=O)N1CC=C(c2cccs2)CC1 ZINC000073797517 337550901 /nfs/dbraw/zinc/55/09/01/337550901.db2.gz MKQZYCCZDUCMGK-UHFFFAOYSA-N 0 0 311.406 3.880 10 0 DHAERN C[S@](=O)Cc1cccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000246738033 337554788 /nfs/dbraw/zinc/55/47/88/337554788.db2.gz FECOUUCEBUTWMH-HOIFWPIMSA-N 0 0 319.470 3.720 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@H]2CCOc3ccccc32)[C@@H]1c1ccccc1 ZINC000247450286 337559680 /nfs/dbraw/zinc/55/96/80/337559680.db2.gz OXGFBRWHHNRSLC-LJHODMEESA-N 0 0 322.408 3.913 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2nccs2)CCO1 ZINC000248599080 337566100 /nfs/dbraw/zinc/56/61/00/337566100.db2.gz UEAQMQMLWLMXOX-KFWWJZLASA-N 0 0 322.474 3.792 10 0 DHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CCOc2ccccc21 ZINC000248629534 337566341 /nfs/dbraw/zinc/56/63/41/337566341.db2.gz HGBZCCPRPGOVHA-PVAVHDDUSA-N 0 0 317.429 3.612 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H]1CCC[C@H]1C ZINC000248923062 337568512 /nfs/dbraw/zinc/56/85/12/337568512.db2.gz FKXOTNGOINFDDC-KCXAZCMYSA-N 0 0 303.450 3.527 10 0 DHAERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000248967629 337569031 /nfs/dbraw/zinc/56/90/31/337569031.db2.gz OLGMLKJLFUWNEZ-AGIUHOORSA-N 0 0 318.442 3.631 10 0 DHAERN Cc1nsc(C)c1-c1noc(/C=C\C2(C)CCOCC2)n1 ZINC000428211792 337593961 /nfs/dbraw/zinc/59/39/61/337593961.db2.gz YFKOBEGKJCQANB-PLNGDYQASA-N 0 0 305.403 3.640 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ncc(-c2cccs2)o1 ZINC000081569140 337725931 /nfs/dbraw/zinc/72/59/31/337725931.db2.gz WPTGEMXKSLIGTE-NSHDSACASA-N 0 0 322.430 3.565 10 0 DHAERN Nc1ccccc1NC(=O)COc1cc(Cl)cc(Cl)c1 ZINC000036814093 337761420 /nfs/dbraw/zinc/76/14/20/337761420.db2.gz UUZBBASTEXNGAC-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN COC(=O)Cc1cccc(NC(=O)[C@H]2C[C@H]2C2CCCCC2)c1 ZINC000119871319 337867249 /nfs/dbraw/zinc/86/72/49/337867249.db2.gz CYEQJXDLYNJEPR-IRXDYDNUSA-N 0 0 315.413 3.557 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000120468893 337874742 /nfs/dbraw/zinc/87/47/42/337874742.db2.gz LNHVKSUBIVZDGS-MSOLQXFVSA-N 0 0 311.381 3.512 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1COc2ccccc21)c1ccccc1Cl ZINC000058577593 337876612 /nfs/dbraw/zinc/87/66/12/337876612.db2.gz QVFRNEYHPGTSIL-XHDPSFHLSA-N 0 0 316.788 3.834 10 0 DHAERN O=C(CCc1ccccc1Cl)N[C@@H]1COc2ccccc21 ZINC000058726761 337878863 /nfs/dbraw/zinc/87/88/63/337878863.db2.gz JLMNOYLIMOZOBC-OAHLLOKOSA-N 0 0 301.773 3.523 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H]1CCc1ccccc1 ZINC000091169745 337890196 /nfs/dbraw/zinc/89/01/96/337890196.db2.gz CSBZSGPJKQFHJI-WOJBJXKFSA-N 0 0 323.436 3.734 10 0 DHAERN O=C1[C@@H]2CC=CC[C@@H]2C(=O)N1CCCc1cccc2ccccc21 ZINC000121964319 337903805 /nfs/dbraw/zinc/90/38/05/337903805.db2.gz CMLWZDZTTNSAGV-KDURUIRLSA-N 0 0 319.404 3.724 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2scnc2CC)C12CCCC2 ZINC000122482259 337919776 /nfs/dbraw/zinc/91/97/76/337919776.db2.gz IJJFGTYLFDIPNY-UONOGXRCSA-N 0 0 322.474 3.515 10 0 DHAERN Cc1ccc([C@@H](C)NCc2cccc(O)c2Br)o1 ZINC000315343073 337985184 /nfs/dbraw/zinc/98/51/84/337985184.db2.gz KNOXNRCBPBXJHP-SNVBAGLBSA-N 0 0 310.191 3.907 10 0 DHAERN CC1(C)[C@H](Nc2cccc(OC(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000085629864 338011003 /nfs/dbraw/zinc/01/10/03/338011003.db2.gz ZWHFUQKSOKUJLF-XQQFMLRXSA-N 0 0 301.308 3.811 10 0 DHAERN C[C@H](SCc1nccs1)C(=O)N[C@@H](C)c1ccccc1 ZINC000161771565 338064623 /nfs/dbraw/zinc/06/46/23/338064623.db2.gz JKGSRYGXWGUEQZ-RYUDHWBXSA-N 0 0 306.456 3.642 10 0 DHAERN O=C(NCc1ccn(C2CCCC2)n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000156658445 338377133 /nfs/dbraw/zinc/37/71/33/338377133.db2.gz YRSUGKHQWSZHLV-MSOLQXFVSA-N 0 0 315.461 3.831 10 0 DHAERN CSC1(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000194827483 338764167 /nfs/dbraw/zinc/76/41/67/338764167.db2.gz APLDHKSCDUGYSV-GHMZBOCLSA-N 0 0 324.412 3.692 10 0 DHAERN CC[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2O1 ZINC000172688036 340336671 /nfs/dbraw/zinc/33/66/71/340336671.db2.gz ZWVIBHRWNLHIKF-HNNXBMFYSA-N 0 0 306.365 3.986 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)CCCc1ccccc1 ZINC000172964026 340350367 /nfs/dbraw/zinc/35/03/67/340350367.db2.gz YRFBZVRYEQHNAD-KRWDZBQOSA-N 0 0 311.425 3.731 10 0 DHAERN CCc1ccsc1C(=O)N[C@H](C)COCc1ccccc1 ZINC000172977072 340351012 /nfs/dbraw/zinc/35/10/12/340351012.db2.gz ZOBITKMUPQACLG-CYBMUJFWSA-N 0 0 303.427 3.646 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)c1ccc(F)cc1 ZINC000173339476 340362970 /nfs/dbraw/zinc/36/29/70/340362970.db2.gz VORHHBAOQAUVMV-AWEZNQCLSA-N 0 0 316.376 3.577 10 0 DHAERN C[C@@H](NC(=O)N[C@H](C)c1nc(C(C)(C)C)no1)c1cccs1 ZINC000173424744 340364785 /nfs/dbraw/zinc/36/47/85/340364785.db2.gz JWTSDBMOBFGRNF-NXEZZACHSA-N 0 0 322.434 3.550 10 0 DHAERN COc1ccc2sc(C(=O)N3CCS[C@@H](C)C3)c(C)c2c1 ZINC000173532890 340367153 /nfs/dbraw/zinc/36/71/53/340367153.db2.gz QXMOBIXQWRMUCG-JTQLQIEISA-N 0 0 321.467 3.796 10 0 DHAERN CCOc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](C)COC ZINC000173870981 340376411 /nfs/dbraw/zinc/37/64/11/340376411.db2.gz AXQZPFMRKSUVAJ-GDBMZVCRSA-N 0 0 307.434 3.571 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCC(C)(C)C[C@@H](C)O)cc1 ZINC000174554188 340391461 /nfs/dbraw/zinc/39/14/61/340391461.db2.gz QNGSRONABFKUAX-CABCVRRESA-N 0 0 320.477 3.967 10 0 DHAERN C[C@@H](NC(=O)N1Cc2ccccc2C[C@H]1C)c1cccs1 ZINC000174821996 340396775 /nfs/dbraw/zinc/39/67/75/340396775.db2.gz GZIBFVJZRJFFTA-CHWSQXEVSA-N 0 0 300.427 3.966 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)NCc2ccoc2)cc1 ZINC000176869498 340433194 /nfs/dbraw/zinc/43/31/94/340433194.db2.gz FODSMKPCRAZZRG-AWEZNQCLSA-N 0 0 316.401 3.875 10 0 DHAERN COc1cccc2c1CC[C@@H]2NC(=O)N[C@@H](C)c1cccs1 ZINC000177125277 340436403 /nfs/dbraw/zinc/43/64/03/340436403.db2.gz GKWZPMBIJNHGQV-FZMZJTMJSA-N 0 0 316.426 3.804 10 0 DHAERN C[C@@H](NC(=O)[C@@H](C)Oc1cccc(F)c1F)c1ccccc1 ZINC000178164805 340447314 /nfs/dbraw/zinc/44/73/14/340447314.db2.gz VKRGAEHUURJKAP-VXGBXAGGSA-N 0 0 305.324 3.610 10 0 DHAERN Cc1noc(C)c1CCC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088235797 340459634 /nfs/dbraw/zinc/45/96/34/340459634.db2.gz CZDCISRSFLNPTA-NSHDSACASA-N 0 0 304.365 3.549 10 0 DHAERN C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1cccc(-n2ccnc2)c1 ZINC000184745173 340479624 /nfs/dbraw/zinc/47/96/24/340479624.db2.gz XKUBQNNENCEUAJ-PMPSAXMXSA-N 0 0 311.429 3.876 10 0 DHAERN CCO[C@@H]1C[C@@H](Nc2cccc([C@@H](C)OC)c2)C12CCOCC2 ZINC000186485376 340513484 /nfs/dbraw/zinc/51/34/84/340513484.db2.gz LDZTVYCIXSYQAA-ZTFGCOKTSA-N 0 0 319.445 3.780 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc(Cl)cc1Cl ZINC000190581455 340545987 /nfs/dbraw/zinc/54/59/87/340545987.db2.gz FSZPNPOFKKLWFA-OUJBWJOFSA-N 0 0 316.228 3.986 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NC(C)(c1ccccc1)c1ccccc1 ZINC000191258054 340551887 /nfs/dbraw/zinc/55/18/87/340551887.db2.gz KGJYNLMKUXAPDN-LPHOPBHVSA-N 0 0 323.436 3.881 10 0 DHAERN C[C@H](NCc1ccnc(N)c1)c1c(Cl)ccc(F)c1Cl ZINC000193478283 340578261 /nfs/dbraw/zinc/57/82/61/340578261.db2.gz DBOJMIIKTHKADB-QMMMGPOBSA-N 0 0 314.191 3.961 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)C(=O)c2ccccc2)o1 ZINC000194348101 340591482 /nfs/dbraw/zinc/59/14/82/340591482.db2.gz NGTIOJNLNYSRQP-MRXNPFEDSA-N 0 0 311.381 3.779 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1cc(Cl)cs1)C2 ZINC000194390543 340591965 /nfs/dbraw/zinc/59/19/65/340591965.db2.gz NCLZBEWGMAINBP-UHFFFAOYSA-N 0 0 309.866 3.817 10 0 DHAERN C[C@@H](SCc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000194876599 340596823 /nfs/dbraw/zinc/59/68/23/340596823.db2.gz AEWCPCFGCXFKHH-CJNGLKHVSA-N 0 0 313.422 3.558 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1cccc(-n2cccc2)c1 ZINC000194997088 340598131 /nfs/dbraw/zinc/59/81/31/340598131.db2.gz CZCJBJQNTYWLOF-GOSISDBHSA-N 0 0 318.376 3.731 10 0 DHAERN CC[C@H](NC(=O)c1cccc(Br)c1F)C(C)C ZINC000234031828 340650537 /nfs/dbraw/zinc/65/05/37/340650537.db2.gz XZQFXZONCKSVNO-NSHDSACASA-N 0 0 302.187 3.753 10 0 DHAERN O=C(NCc1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000047579099 340710044 /nfs/dbraw/zinc/71/00/44/340710044.db2.gz FTSDPKPGURUEDC-HNNXBMFYSA-N 0 0 316.788 3.663 10 0 DHAERN O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 ZINC000047579098 340710085 /nfs/dbraw/zinc/71/00/85/340710085.db2.gz FTSDPKPGURUEDC-OAHLLOKOSA-N 0 0 316.788 3.663 10 0 DHAERN C[C@H](NC(=O)c1ccc2c(c1)CCN2)c1cccc(Cl)c1 ZINC000038092907 340789483 /nfs/dbraw/zinc/78/94/83/340789483.db2.gz HFTQSPODPBOLIO-NSHDSACASA-N 0 0 300.789 3.799 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000125146311 340802588 /nfs/dbraw/zinc/80/25/88/340802588.db2.gz MAQUZFJNIGEPGU-XPTSAGLGSA-N 0 0 304.187 3.741 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)C1(Cc2ccccc2)CCC1 ZINC000125716010 340806617 /nfs/dbraw/zinc/80/66/17/340806617.db2.gz YWPOKUDQWLMBES-KRWDZBQOSA-N 0 0 307.393 3.649 10 0 DHAERN O=C(NCc1cccc(Cl)c1)c1cccc2c1CCCN2 ZINC000130118769 341000588 /nfs/dbraw/zinc/00/05/88/341000588.db2.gz HJBAEABNPKQXPP-UHFFFAOYSA-N 0 0 300.789 3.628 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2cc(Br)ccc2Cl)O1 ZINC000130441268 341021873 /nfs/dbraw/zinc/02/18/73/341021873.db2.gz WCSQDWUHRXVKRL-HQJQHLMTSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H](NCc1ccnn1C)c1c(Cl)ccc(F)c1Cl ZINC000071138804 341022892 /nfs/dbraw/zinc/02/28/92/341022892.db2.gz PIWIAKHMLUVUAS-QMMMGPOBSA-N 0 0 302.180 3.717 10 0 DHAERN C[C@@H](NCc1ccnn1C)c1c(Cl)ccc(F)c1Cl ZINC000071138805 341022948 /nfs/dbraw/zinc/02/29/48/341022948.db2.gz PIWIAKHMLUVUAS-MRVPVSSYSA-N 0 0 302.180 3.717 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000131848002 341112593 /nfs/dbraw/zinc/11/25/93/341112593.db2.gz ATWXBNCMLCGSEP-NWDGAFQWSA-N 0 0 302.340 3.920 10 0 DHAERN CC(C)OCCCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000132259237 341119561 /nfs/dbraw/zinc/11/95/61/341119561.db2.gz FSAAADZTFGFDHN-MSOLQXFVSA-N 0 0 303.446 3.845 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(O)cc1 ZINC000132689064 341141320 /nfs/dbraw/zinc/14/13/20/341141320.db2.gz PFOACTGYDMDQBE-LBPRGKRZSA-N 0 0 303.789 3.808 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl ZINC000076362198 341206150 /nfs/dbraw/zinc/20/61/50/341206150.db2.gz SHYOYBUDGHJUJY-QWRGUYRKSA-N 0 0 316.228 3.562 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCCc2cc3ccccc3[nH]2)o1 ZINC000136041469 341251457 /nfs/dbraw/zinc/25/14/57/341251457.db2.gz IQTZVVWETRAVBS-CYBMUJFWSA-N 0 0 311.385 3.672 10 0 DHAERN CCCOc1ccc(NC(=O)[C@]2(C)CCCC[NH2+]2)cc1Cl ZINC000136162623 341254090 /nfs/dbraw/zinc/25/40/90/341254090.db2.gz GKNDAIWIJRDNET-INIZCTEOSA-N 0 0 310.825 3.600 10 0 DHAERN C[C@H](CC(=O)N(C)[C@H](C)C(=O)OC(C)(C)C)c1cccc(F)c1 ZINC000081451182 341291277 /nfs/dbraw/zinc/29/12/77/341291277.db2.gz PJKCXDSWZRUBBV-CHWSQXEVSA-N 0 0 323.408 3.508 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000245513412 341298681 /nfs/dbraw/zinc/29/86/81/341298681.db2.gz OTWYOQXWBFEMAJ-LSTDLKDCSA-N 0 0 307.478 3.602 10 0 DHAERN Fc1cccc(N2CCCC2)c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000245545904 341300902 /nfs/dbraw/zinc/30/09/02/341300902.db2.gz UPZGOEGZWOFNQL-RTBURBONSA-N 0 0 318.436 3.569 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000245757122 341313489 /nfs/dbraw/zinc/31/34/89/341313489.db2.gz YUIOMBVHOJSFFT-CADBVGFASA-N 0 0 315.457 3.533 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000245845758 341315891 /nfs/dbraw/zinc/31/58/91/341315891.db2.gz IIQDSJXMRRNXBE-FHWLQOOXSA-N 0 0 313.441 3.551 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000245949446 341319407 /nfs/dbraw/zinc/31/94/07/341319407.db2.gz WFSGWHSVCCGLHV-RGYTYGDFSA-N 0 0 318.852 3.747 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H](C)O1 ZINC000246086706 341324478 /nfs/dbraw/zinc/32/44/78/341324478.db2.gz UPKAOHUNSLUHRJ-NRSFXHEJSA-N 0 0 301.430 3.739 10 0 DHAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1C[C@@H]1C ZINC000246110310 341326979 /nfs/dbraw/zinc/32/69/79/341326979.db2.gz BXWYQWKFLPVVLU-KWBADKCTSA-N 0 0 320.845 3.893 10 0 DHAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@@H]1C[C@@H]1C ZINC000246110325 341327015 /nfs/dbraw/zinc/32/70/15/341327015.db2.gz BXWYQWKFLPVVLU-OUJBWJOFSA-N 0 0 320.845 3.893 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000246129677 341328221 /nfs/dbraw/zinc/32/82/21/341328221.db2.gz BZAMLSWPPBCVRB-ZTFGCOKTSA-N 0 0 319.420 3.564 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000246164869 341330794 /nfs/dbraw/zinc/33/07/94/341330794.db2.gz IZTPMYLGANILAH-BYNSBNAKSA-N 0 0 305.368 3.717 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)o1 ZINC000246218721 341334795 /nfs/dbraw/zinc/33/47/95/341334795.db2.gz PBQYGACPIZOTDY-LGRHPFTQSA-N 0 0 310.397 3.677 10 0 DHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C[C@H](O)C(C)C ZINC000246262368 341339001 /nfs/dbraw/zinc/33/90/01/341339001.db2.gz LJKYNNZPGVSKIH-QAPCUYQASA-N 0 0 318.461 3.719 10 0 DHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246608996 341354447 /nfs/dbraw/zinc/35/44/47/341354447.db2.gz KYUVUGGPEFPJJL-WOPDTQHZSA-N 0 0 306.372 3.985 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCO[C@@H](c2cccs2)C1 ZINC000247626481 341367979 /nfs/dbraw/zinc/36/79/79/341367979.db2.gz UIXIRKLAWRFHIG-ARFHVFGLSA-N 0 0 319.470 3.864 10 0 DHAERN C[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCCO1 ZINC000248231023 341374894 /nfs/dbraw/zinc/37/48/94/341374894.db2.gz BPAOZOQSLGXJJH-FZMZJTMJSA-N 0 0 319.788 3.897 10 0 DHAERN CC[C@@H]1[C@H](C)CCN1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000248472422 341378592 /nfs/dbraw/zinc/37/85/92/341378592.db2.gz JTQRLOFIDGYFQZ-MROQNXINSA-N 0 0 306.372 3.938 10 0 DHAERN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H]1CCCO[C@H]1C ZINC000248705996 341384678 /nfs/dbraw/zinc/38/46/78/341384678.db2.gz HFIMTTCUFZNMMP-RCMKLKEOSA-N 0 0 301.430 3.595 10 0 DHAERN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000249318298 341396422 /nfs/dbraw/zinc/39/64/22/341396422.db2.gz PGGIGAKONKVFFK-ZIAGYGMSSA-N 0 0 315.335 3.565 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000253546885 341457618 /nfs/dbraw/zinc/45/76/18/341457618.db2.gz ZRFZYOZKNHTNGT-BPQIPLTHSA-N 0 0 316.445 3.566 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2nc3c(ccc4ccccc34)s2)O1 ZINC000153247626 341531646 /nfs/dbraw/zinc/53/16/46/341531646.db2.gz UPMGUVGWEIYQBW-GWCFXTLKSA-N 0 0 312.394 3.956 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F ZINC000155910977 341614861 /nfs/dbraw/zinc/61/48/61/341614861.db2.gz UQQGEVRXBMMMTD-QPUJVOFHSA-N 0 0 324.293 3.912 10 0 DHAERN COC(=O)c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1C ZINC000171521498 341779194 /nfs/dbraw/zinc/77/91/94/341779194.db2.gz ZFAPYTXTPLSZHN-LLVKDONJSA-N 0 0 318.398 3.726 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000171792795 341785429 /nfs/dbraw/zinc/78/54/29/341785429.db2.gz BZMIRDKWIINEET-ZDUSSCGKSA-N 0 0 321.421 3.842 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1csc(C(C)(C)C)n1 ZINC000176422757 341873928 /nfs/dbraw/zinc/87/39/28/341873928.db2.gz XHPFIEVZTHUBES-NSHDSACASA-N 0 0 312.479 3.603 10 0 DHAERN CC(C)(C)OC(=O)CCCN1CCCC[C@H]1c1nccs1 ZINC000181651587 518781145 /nfs/dbraw/zinc/78/11/45/518781145.db2.gz DUHPHRNGWUHSHO-ZDUSSCGKSA-N 0 0 310.463 3.792 10 0 DHAERN CC(C)NC(=O)[C@H]1CCCO[C@@H]1c1ccc(Cl)cc1Cl ZINC000182149949 519715996 /nfs/dbraw/zinc/71/59/96/519715996.db2.gz UNPDOIYEQDTHNA-GXTWGEPZSA-N 0 0 316.228 3.986 10 0 DHAERN CC(=O)Nc1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000127723866 519750650 /nfs/dbraw/zinc/75/06/50/519750650.db2.gz WVTSWZSBDJCPBQ-MRXNPFEDSA-N 0 0 315.442 3.829 10 0 DHAERN CC(C)CO[C@H](C)c1noc(CN[C@H](C)c2cccs2)n1 ZINC000182552172 519761121 /nfs/dbraw/zinc/76/11/21/519761121.db2.gz JWQFKUDNIKOBOI-VXGBXAGGSA-N 0 0 309.435 3.716 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000107820678 519792090 /nfs/dbraw/zinc/79/20/90/519792090.db2.gz OXLLOVGLAOJOQT-OCCSQVGLSA-N 0 0 324.396 3.550 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cc(F)c(F)cc1Br ZINC000136573420 519792199 /nfs/dbraw/zinc/79/21/99/519792199.db2.gz KOEAAXDTNMDNCN-SSDOTTSWSA-N 0 0 306.150 3.502 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000107820682 519812803 /nfs/dbraw/zinc/81/28/03/519812803.db2.gz OXLLOVGLAOJOQT-JSGCOSHPSA-N 0 0 324.396 3.550 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2(C)CCOCC2)cc1 ZINC000130516339 519839594 /nfs/dbraw/zinc/83/95/94/519839594.db2.gz LGJAXBMTUNCIJJ-DLBZAZTESA-N 0 0 301.430 3.599 10 0 DHAERN CCCCCC(C)(C)C(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187692307 519943115 /nfs/dbraw/zinc/94/31/15/519943115.db2.gz SLKMGJWFSDRXLS-HOTGVXAUSA-N 0 0 323.502 3.889 10 0 DHAERN CCN(C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccnc1 ZINC000109103683 520054233 /nfs/dbraw/zinc/05/42/33/520054233.db2.gz IMJURWIKWWRUKY-KBPBESRZSA-N 0 0 302.324 3.516 10 0 DHAERN CCC[C@@H](NC(=O)[C@H](C)COC)c1cccc(C(F)(F)F)c1 ZINC000103392820 520748764 /nfs/dbraw/zinc/74/87/64/520748764.db2.gz SNYLZGNHMZGJLG-BXUZGUMPSA-N 0 0 317.351 3.945 10 0 DHAERN CCC(=O)N1CC[C@H](C(=O)O[C@@H](CC)c2cccc(Cl)c2)C1 ZINC000124750461 521145247 /nfs/dbraw/zinc/14/52/47/521145247.db2.gz VFOLMXROZUEKGX-ZFWWWQNUSA-N 0 0 323.820 3.593 10 0 DHAERN CCOc1ccc(OC)cc1NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000105043825 521159892 /nfs/dbraw/zinc/15/98/92/521159892.db2.gz KNCMTCQNRRBJRK-LBPRGKRZSA-N 0 0 318.373 3.878 10 0 DHAERN CCC[C@H](NCc1nnc(C(C)C)n1C)c1ccc(F)cc1F ZINC000181677192 521166023 /nfs/dbraw/zinc/16/60/23/521166023.db2.gz IVZBVGNKWNEDSL-HNNXBMFYSA-N 0 0 322.403 3.848 10 0 DHAERN CCCc1ccc(CN2CCO[C@@H](c3nccs3)C2)cc1 ZINC000171662513 521397954 /nfs/dbraw/zinc/39/79/54/521397954.db2.gz HEVOBRRMADDFMO-MRXNPFEDSA-N 0 0 302.443 3.669 10 0 DHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2ccc(C)o2)CCO1 ZINC000180623637 521610987 /nfs/dbraw/zinc/61/09/87/521610987.db2.gz HNCNDWZYCVVUPA-QRTARXTBSA-N 0 0 322.449 3.932 10 0 DHAERN CCOC(C)(C)CNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000187612055 521622387 /nfs/dbraw/zinc/62/23/87/521622387.db2.gz CKHAKOPBOXHWDR-CQSZACIVSA-N 0 0 308.422 3.640 10 0 DHAERN CCOc1ncccc1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109100424 521624695 /nfs/dbraw/zinc/62/46/95/521624695.db2.gz KVEWSMONNJYLQF-RYUDHWBXSA-N 0 0 318.323 3.501 10 0 DHAERN CCOCCC1(CNC(=O)N[C@H](C)c2ccccc2C)CCC1 ZINC000156576000 521687618 /nfs/dbraw/zinc/68/76/18/521687618.db2.gz KTRCNEMMWRRVCR-MRXNPFEDSA-N 0 0 318.461 3.952 10 0 DHAERN CCOCCC1(CNC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000161746063 521687806 /nfs/dbraw/zinc/68/78/06/521687806.db2.gz METRDABVHOKROR-KRWDZBQOSA-N 0 0 316.445 3.570 10 0 DHAERN CCOCCCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129805276 521696383 /nfs/dbraw/zinc/69/63/83/521696383.db2.gz MNIOBHMSYWNPID-INIZCTEOSA-N 0 0 317.429 3.756 10 0 DHAERN COc1c(C)cnc(CN2CCCC[C@@H]2c2nccs2)c1C ZINC000171235281 521809006 /nfs/dbraw/zinc/80/90/06/521809006.db2.gz FOIGMIXVEXNPKJ-OAHLLOKOSA-N 0 0 317.458 3.891 10 0 DHAERN COCC[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000101612026 521912047 /nfs/dbraw/zinc/91/20/47/521912047.db2.gz QEJCSXSVDVIKAV-UONOGXRCSA-N 0 0 300.402 3.625 10 0 DHAERN COCCc1ccccc1NC(=O)N[C@@H](C)c1cccs1 ZINC000189545789 522021046 /nfs/dbraw/zinc/02/10/46/522021046.db2.gz CCCVCWCYODPWIW-LBPRGKRZSA-N 0 0 304.415 3.820 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)NC3CCCC3)C2)n1 ZINC000113365153 522113331 /nfs/dbraw/zinc/11/33/31/522113331.db2.gz RTRVFTXRECRRTF-GFCCVEGCSA-N 0 0 307.463 3.537 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000113203534 522117896 /nfs/dbraw/zinc/11/78/96/522117896.db2.gz XMTXDNWGJCWRFR-LBPRGKRZSA-N 0 0 318.417 3.864 10 0 DHAERN CCc1nc(C2(NCc3ccc4ccccc4n3)CCCC2)no1 ZINC000173360420 522243874 /nfs/dbraw/zinc/24/38/74/522243874.db2.gz KNKHPVAVLNWZNW-UHFFFAOYSA-N 0 0 322.412 3.739 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000158540561 522501552 /nfs/dbraw/zinc/50/15/52/522501552.db2.gz UHMAPRLFBJMWIP-CPUCHLNUSA-N 0 0 316.351 3.731 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1cccc(F)c1 ZINC000188132069 522511506 /nfs/dbraw/zinc/51/15/06/522511506.db2.gz NHKYQMPRHNNPOF-GJZGRUSLSA-N 0 0 302.397 3.555 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccnc1-c1ccc(Cl)s1 ZINC000187125792 522554282 /nfs/dbraw/zinc/55/42/82/522554282.db2.gz AOASZJZSIHLTAE-VIFPVBQESA-N 0 0 310.806 3.685 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC000105851569 522590954 /nfs/dbraw/zinc/59/09/54/522590954.db2.gz YASYDQONKADRSI-MRXNPFEDSA-N 0 0 303.450 3.579 10 0 DHAERN CCc1nnc(CN[C@@H](CC2CCCC2)c2ccccc2)n1C ZINC000181942856 522742483 /nfs/dbraw/zinc/74/24/83/522742483.db2.gz UJQJPSVTMWDMDA-KRWDZBQOSA-N 0 0 312.461 3.789 10 0 DHAERN CCc1nnc(CN[C@@H](c2ccccc2C)C(C)(C)C)n1C ZINC000180083661 522745548 /nfs/dbraw/zinc/74/55/48/522745548.db2.gz JGQQWQCDHFNRBG-KRWDZBQOSA-N 0 0 300.450 3.563 10 0 DHAERN CCc1nnc(CN[C@H](CC2CCCC2)c2ccccc2)n1C ZINC000181942879 522746564 /nfs/dbraw/zinc/74/65/64/522746564.db2.gz UJQJPSVTMWDMDA-QGZVFWFLSA-N 0 0 312.461 3.789 10 0 DHAERN CC[C@H](N[C@H]1CCCn2nc(C)nc21)c1cccc(Cl)c1F ZINC000161880269 522754332 /nfs/dbraw/zinc/75/43/32/522754332.db2.gz FPMIAJLWGRXPSU-KBPBESRZSA-N 0 0 322.815 3.955 10 0 DHAERN COC(=O)C1CCC(C(=O)N2CC[C@@H](C)c3ccccc32)CC1 ZINC000180156584 522901704 /nfs/dbraw/zinc/90/17/04/522901704.db2.gz JPRNZXWGFPDJNO-WLYUNCDWSA-N 0 0 315.413 3.506 10 0 DHAERN COC(=O)C1CCC(C(=O)N(C)c2ccc(C(C)C)cc2)CC1 ZINC000180382199 522902285 /nfs/dbraw/zinc/90/22/85/522902285.db2.gz ALTXAGOETZKWEN-UHFFFAOYSA-N 0 0 317.429 3.752 10 0 DHAERN COCCC[C@@H](C)C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000182589366 523456308 /nfs/dbraw/zinc/45/63/08/523456308.db2.gz WZOFYEYGBQZGNV-GHMZBOCLSA-N 0 0 301.789 3.719 10 0 DHAERN CCn1ccnc1CS[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000155094986 523544838 /nfs/dbraw/zinc/54/48/38/523544838.db2.gz SJJAETAVHYGNDW-LBPRGKRZSA-N 0 0 314.414 3.947 10 0 DHAERN CCc1c2ccccc2oc1[C@@H](C)N[C@H]1CCCn2ncnc21 ZINC000181870338 523732077 /nfs/dbraw/zinc/73/20/77/523732077.db2.gz FSBPKWWSVLPIBX-DOMZBBRYSA-N 0 0 310.401 3.772 10 0 DHAERN CC[C@@]1(CO)CCCN(C(=O)N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000189960346 523737081 /nfs/dbraw/zinc/73/70/81/523737081.db2.gz GCBBBJUFEVSMCE-SUMWQHHRSA-N 0 0 324.852 3.595 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cnc(Cl)cn2)o1 ZINC000192788668 524035208 /nfs/dbraw/zinc/03/52/08/524035208.db2.gz CXJMSNPABYUMBH-ZDUSSCGKSA-N 0 0 319.792 3.653 10 0 DHAERN COc1ccc(Cl)cc1CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000106223412 524207419 /nfs/dbraw/zinc/20/74/19/524207419.db2.gz WGYSUVZBONGCCB-INIZCTEOSA-N 0 0 319.836 3.691 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(Cc2ccco2)c2ccc(F)cc2F)O1 ZINC000154878243 524329101 /nfs/dbraw/zinc/32/91/01/524329101.db2.gz HBCPDNUUDDGENZ-ZBEGNZNMSA-N 0 0 321.323 3.659 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(N3CCCCCC3)c2)O1 ZINC000156139310 524387426 /nfs/dbraw/zinc/38/74/26/524387426.db2.gz QHMFGVGGILAGEE-WMLDXEAASA-N 0 0 302.418 3.573 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2c(-c3ccccc3)nc3ccccn32)O1 ZINC000153424510 524637352 /nfs/dbraw/zinc/63/73/52/524637352.db2.gz NBQLEXFPHYUOEU-UKRRQHHQSA-N 0 0 321.380 3.507 10 0 DHAERN Cc1cc(Cl)c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000180709372 524843477 /nfs/dbraw/zinc/84/34/77/524843477.db2.gz DNHKGQOAOMDSMZ-MRXNPFEDSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1cccc([C@H](NC(=O)N[C@@H](C)C(C)C)c2ccccn2)c1 ZINC000124581600 524882934 /nfs/dbraw/zinc/88/29/34/524882934.db2.gz FIGBAZQUIOXMTE-YJBOKZPZSA-N 0 0 311.429 3.823 10 0 DHAERN C[C@H](NC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@H]1CCCO1 ZINC000246292845 525009139 /nfs/dbraw/zinc/00/91/39/525009139.db2.gz VJSJNBNTESEIFX-RLFYNMQTSA-N 0 0 316.445 3.564 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000190383101 525016711 /nfs/dbraw/zinc/01/67/11/525016711.db2.gz ZFMLRZVLQDGEOT-CXAGYDPISA-N 0 0 321.848 3.861 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000191641224 525017636 /nfs/dbraw/zinc/01/76/36/525017636.db2.gz HISMQZIXWAPEKT-CZUORRHYSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H](NC(=O)N1CC[C@]2(CCOC2)C1)c1ccc2ccccc2c1 ZINC000162475097 525042277 /nfs/dbraw/zinc/04/22/77/525042277.db2.gz SWSFULNIAMQLNS-YWZLYKJASA-N 0 0 324.424 3.723 10 0 DHAERN C[C@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)c1cccs1 ZINC000180285508 525113324 /nfs/dbraw/zinc/11/33/24/525113324.db2.gz ONHZXFNYQBTSPJ-NSHDSACASA-N 0 0 301.415 3.623 10 0 DHAERN C[C@H](NC(=O)[C@@H](C)c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000174250383 525130081 /nfs/dbraw/zinc/13/00/81/525130081.db2.gz RTOVHWGVOVQWQR-QWRGUYRKSA-N 0 0 306.768 3.855 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1cccc(O)c1 ZINC000192959044 525154986 /nfs/dbraw/zinc/15/49/86/525154986.db2.gz FHTSUXYXBDEDPP-NZVBXONLSA-N 0 0 317.335 3.651 10 0 DHAERN C[C@@H](NC(=O)NC[C@H]1CCCS1)c1ccc(F)c(Cl)c1 ZINC000158541333 525211534 /nfs/dbraw/zinc/21/15/34/525211534.db2.gz WHABGVOFNNRXAZ-MWLCHTKSSA-N 0 0 316.829 3.735 10 0 DHAERN C[C@@H](NC(=O)N[C@H]1CCOc2ccc(F)cc21)c1cccs1 ZINC000171735134 525237039 /nfs/dbraw/zinc/23/70/39/525237039.db2.gz YBWPLKIAWDJWEX-MFKMUULPSA-N 0 0 320.389 3.771 10 0 DHAERN CSCCCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000121835011 525405549 /nfs/dbraw/zinc/40/55/49/525405549.db2.gz CLZDNGPNBUWJJA-AWEZNQCLSA-N 0 0 307.459 3.938 10 0 DHAERN Cc1cccnc1COC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000180327212 525527682 /nfs/dbraw/zinc/52/76/82/525527682.db2.gz ZWDSWDYDLVRORU-CHWSQXEVSA-N 0 0 303.308 3.515 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000188870248 525557199 /nfs/dbraw/zinc/55/71/99/525557199.db2.gz VIWOAOSOGZODTO-FZMZJTMJSA-N 0 0 307.365 3.511 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000188058663 525557506 /nfs/dbraw/zinc/55/75/06/525557506.db2.gz CLAZJRHOAZUXPI-APHBMKBZSA-N 0 0 307.821 3.819 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000191265343 525557988 /nfs/dbraw/zinc/55/79/88/525557988.db2.gz BIWCJAWOCRLZOA-AFAVFJNCSA-N 0 0 305.393 3.598 10 0 DHAERN C[C@@H](NCc1nc(-c2ccoc2)no1)c1ccc(Cl)cc1 ZINC000105607479 525559623 /nfs/dbraw/zinc/55/96/23/525559623.db2.gz NAJTZIKBEAOHIX-SNVBAGLBSA-N 0 0 303.749 3.834 10 0 DHAERN CSC[C@@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129998856 525612117 /nfs/dbraw/zinc/61/21/17/525612117.db2.gz MKCFKDIDTQGTEE-HIFRSBDPSA-N 0 0 319.470 3.938 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccnn2[C@@H](C)C2CC2)o1 ZINC000156369242 525710124 /nfs/dbraw/zinc/71/01/24/525710124.db2.gz UTRZTNSJVAHMAH-NEPJUHHUSA-N 0 0 302.378 3.638 10 0 DHAERN C[C@@H](Nc1ncnc2[nH]ccc21)c1cccc(Br)c1 ZINC000339139454 525732088 /nfs/dbraw/zinc/73/20/88/525732088.db2.gz FSBJPHOMPJDKEB-SECBINFHSA-N 0 0 317.190 3.894 10 0 DHAERN COc1cccc(C(=O)N2CCCC[C@H]2c2nccs2)c1F ZINC000132012944 525796876 /nfs/dbraw/zinc/79/68/76/525796876.db2.gz NDNZZXAKGFQPIJ-LBPRGKRZSA-N 0 0 320.389 3.658 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@H]2CC2(Cl)Cl)o1 ZINC000127816650 525801767 /nfs/dbraw/zinc/80/17/67/525801767.db2.gz XSJVYQVOZRTTKS-MNOVXSKESA-N 0 0 302.201 3.835 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@H](C)c2ncc(C)s2)o1 ZINC000183001534 525900278 /nfs/dbraw/zinc/90/02/78/525900278.db2.gz APWFPGJSLPUCIY-CABZTGNLSA-N 0 0 307.419 3.517 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)Nc2c(C)cccc2Cl)o1 ZINC000182588774 525916616 /nfs/dbraw/zinc/91/66/16/525916616.db2.gz INPQIRYJQKBYHS-LBPRGKRZSA-N 0 0 306.793 3.839 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 ZINC000193114109 525932936 /nfs/dbraw/zinc/93/29/36/525932936.db2.gz MDYUGZDUYDNDIP-KKUMJFAQSA-N 0 0 300.402 3.505 10 0 DHAERN CSc1ccc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)o1 ZINC000112271679 525968702 /nfs/dbraw/zinc/96/87/02/525968702.db2.gz SIHHYFXYJWHYST-BDAKNGLRSA-N 0 0 307.337 3.852 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)Nc2cccc(F)n2)o1 ZINC000129032553 525993583 /nfs/dbraw/zinc/99/35/83/525993583.db2.gz MCGWUAOBXIBILF-GFCCVEGCSA-N 0 0 303.337 3.881 10 0 DHAERN CSc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000180617954 526029715 /nfs/dbraw/zinc/02/97/15/526029715.db2.gz VHJZUNSSATTZBE-HNNXBMFYSA-N 0 0 316.430 3.891 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CSc1ccncc1)[C@@H](C)C2 ZINC000182202331 526201163 /nfs/dbraw/zinc/20/11/63/526201163.db2.gz BQTXFJJOPULQOJ-SCLBCKFNSA-N 0 0 312.438 3.532 10 0 DHAERN O[C@H](CNc1noc(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000157774774 526283950 /nfs/dbraw/zinc/28/39/50/526283950.db2.gz KLBNTGDDDJLARY-SNVBAGLBSA-N 0 0 321.789 3.597 10 0 DHAERN Cc1coc(S[C@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)n1 ZINC000188450167 526291656 /nfs/dbraw/zinc/29/16/56/526291656.db2.gz GHQQORFHUOBCRJ-HIFRSBDPSA-N 0 0 318.442 3.977 10 0 DHAERN Cc1csc(-c2ccc(NC(=O)[C@H]3CCCO[C@@H]3C)cc2)n1 ZINC000190980666 526302326 /nfs/dbraw/zinc/30/23/26/526302326.db2.gz IACMTHPOPOUZPC-DOMZBBRYSA-N 0 0 316.426 3.872 10 0 DHAERN Cc1csc(CNC(=O)N2CCCC[C@H]2c2ccc(C)o2)n1 ZINC000173480262 526349911 /nfs/dbraw/zinc/34/99/11/526349911.db2.gz UUWDZSZOEGQHGC-ZDUSSCGKSA-N 0 0 319.430 3.790 10 0 DHAERN O=C(NCCc1ccc(Cl)nc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000151090768 526405794 /nfs/dbraw/zinc/40/57/94/526405794.db2.gz DNJCRIWIRFGQQW-HUUCEWRRSA-N 0 0 306.837 3.610 10 0 DHAERN O=C(NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000156591991 526556907 /nfs/dbraw/zinc/55/69/07/526556907.db2.gz MESMTJLXARQCTM-FZMZJTMJSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cc[nH]c1 ZINC000156575045 526559130 /nfs/dbraw/zinc/55/91/30/526559130.db2.gz IDPFFIVYAJONOO-GXFFZTMASA-N 0 0 309.196 3.855 10 0 DHAERN O=C(c1ccc(Br)c(Cl)c1)N1C[C@@H]2CC[C@H]1C2 ZINC000127965643 526660439 /nfs/dbraw/zinc/66/04/39/526660439.db2.gz BXTAVJHOZVLKOG-SCZZXKLOSA-N 0 0 314.610 3.727 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2C[C@H]2c2cccnc2)n1 ZINC000299751344 526741071 /nfs/dbraw/zinc/74/10/71/526741071.db2.gz QLWPPQFJYIZJKO-AJNGGQMLSA-N 0 0 313.401 3.654 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000127340651 526881330 /nfs/dbraw/zinc/88/13/30/526881330.db2.gz MFPOKICVQKFIPQ-NVXWUHKLSA-N 0 0 315.413 3.508 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3cc(F)ccc3Cl)C2)no1 ZINC000188944278 526920239 /nfs/dbraw/zinc/92/02/39/526920239.db2.gz SQCFPRKWIRJKHM-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN O=C(Nc1ccc2ccccc2c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151615270 527297087 /nfs/dbraw/zinc/29/70/87/527297087.db2.gz HWLCSCIORURHTH-PXNSSMCTSA-N 0 0 324.424 3.999 10 0 DHAERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2F)cn1 ZINC000171507458 527316253 /nfs/dbraw/zinc/31/62/53/527316253.db2.gz BZRZUUYIYBTEPW-CQSZACIVSA-N 0 0 322.771 3.582 10 0 DHAERN Nc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000262640604 527472689 /nfs/dbraw/zinc/47/26/89/527472689.db2.gz HRHZBICOLSOLCQ-UHFFFAOYSA-N 0 0 310.353 3.563 10 0 DHAERN O=C(C(C1CC1)C1CC1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000132286242 527667092 /nfs/dbraw/zinc/66/70/92/527667092.db2.gz HXJYWZFQNIUIJE-MSOLQXFVSA-N 0 0 313.441 3.537 10 0 DHAERN CCC(C)(C)c1nc2cccc(Br)c2cc1NN ZINC000725268715 563574460 /nfs/dbraw/zinc/57/44/60/563574460.db2.gz ZVWMTNKFDROKDP-UHFFFAOYSA-N 0 0 308.223 3.971 10 0 DHAERN COc1cc(/C=C/C(=O)OC(C)(C)C)ccc1OC(F)F ZINC000405990350 563913049 /nfs/dbraw/zinc/91/30/49/563913049.db2.gz RLBRBWJGPKRUML-SOFGYWHQSA-N 0 0 300.301 3.652 10 0 DHAERN CCSc1nc(-c2ccc(OC)c(OC)c2)cc2nccn21 ZINC000000009125 560176828 /nfs/dbraw/zinc/17/68/28/560176828.db2.gz VCAREOFNIBYKAE-UHFFFAOYSA-N 0 0 315.398 3.526 10 0 in-vitro DHAERN COc1cc2oc(CCc3ccccc3)cc(=O)c2cc1OC ZINC000014503972 560221995 /nfs/dbraw/zinc/22/19/95/560221995.db2.gz MVQOWXHYPYRBOE-UHFFFAOYSA-N 0 0 310.349 3.595 10 0 biogenic,in-vitro DHAERN C[C@H]1CCC[C@H](OCc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000521393858 563412307 /nfs/dbraw/zinc/41/23/07/563412307.db2.gz FWIKCVIYLBZOTR-AAEUAGOBSA-N 0 0 316.357 3.561 10 0 DHAERN CCOC(=O)Cn1nc(-c2ccccc2)c2cc(Cl)ccc21 ZINC000032917046 563443352 /nfs/dbraw/zinc/44/33/52/563443352.db2.gz QDXDOIAHDPAQRY-UHFFFAOYSA-N 0 0 314.772 3.920 10 0 DHAERN O=c1cc(-c2ccc(Br)cc2)[n-]n1-c1ccccc1 ZINC000051943971 563469107 /nfs/dbraw/zinc/46/91/07/563469107.db2.gz QQPLABDBDDLNLI-UHFFFAOYSA-N 0 0 315.170 3.590 10 0 DHAERN Cc1nn(C(C)C)cc1NCc1ccc(Br)nc1 ZINC000725242656 563525760 /nfs/dbraw/zinc/52/57/60/563525760.db2.gz QOUCBQHOXLZNRZ-UHFFFAOYSA-N 0 0 309.211 3.542 10 0 DHAERN FC(F)c1nc2cc(-c3ccoc3)cc(Br)n2n1 ZINC000725248439 563527132 /nfs/dbraw/zinc/52/71/32/563527132.db2.gz VACMBTGWIWPFFF-UHFFFAOYSA-N 0 0 314.089 3.689 10 0 DHAERN FC1(F)CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 ZINC000725265708 563572230 /nfs/dbraw/zinc/57/22/30/563572230.db2.gz VTYZIXCBBNAFKK-UHFFFAOYSA-N 0 0 313.145 3.963 10 0 DHAERN Cc1noc(C)c1[C@@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375848 563796224 /nfs/dbraw/zinc/79/62/24/563796224.db2.gz DFXPYAKTILRGJW-LQJRIPTKSA-N 0 0 319.405 3.745 10 0 DHAERN O=C(c1cccc(F)c1)N1CCS[C@H]1c1ccccc1F ZINC000035816026 563887781 /nfs/dbraw/zinc/88/77/81/563887781.db2.gz SUHNABCPJFFVQV-INIZCTEOSA-N 0 0 305.349 3.853 10 0 DHAERN O=C(c1cccc(F)c1)N1CCS[C@@H]1c1ccccc1F ZINC000035816024 563887928 /nfs/dbraw/zinc/88/79/28/563887928.db2.gz SUHNABCPJFFVQV-MRXNPFEDSA-N 0 0 305.349 3.853 10 0 DHAERN CC(C)(C)OC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000405982899 563913119 /nfs/dbraw/zinc/91/31/19/563913119.db2.gz NYJAHNJZSVSLQF-AATRIKPKSA-N 0 0 310.777 3.856 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(N)cc1NC(=O)Cc1ccccc1 ZINC000226253785 563913363 /nfs/dbraw/zinc/91/33/63/563913363.db2.gz IZKKRGVUWRCISQ-OAHLLOKOSA-N 0 0 323.440 3.829 10 0 DHAERN Cc1nc(Br)sc1N(C)C(=O)OC(C)(C)C ZINC000113496054 563924241 /nfs/dbraw/zinc/92/42/41/563924241.db2.gz ISORWAKWUMQFPW-UHFFFAOYSA-N 0 0 307.213 3.585 10 0 DHAERN Cc1cc(C)c(C(=O)N(C)C[C@@H]2CCCc3sc(C)nc32)o1 ZINC000328645939 563929934 /nfs/dbraw/zinc/92/99/34/563929934.db2.gz ZVIKPRCRUNWQGI-ZDUSSCGKSA-N 0 0 318.442 3.853 10 0 DHAERN Cc1nc2ccc(F)cc2n1C1CCN(C(=O)CC(C)C)CC1 ZINC000034915182 563961191 /nfs/dbraw/zinc/96/11/91/563961191.db2.gz DBCDDZQZCKCUMW-UHFFFAOYSA-N 0 0 317.408 3.693 10 0 DHAERN Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1 ZINC000013583647 581092247 /nfs/dbraw/zinc/09/22/47/581092247.db2.gz FAKNYSRJFRSEFB-UHFFFAOYSA-N 0 0 320.142 3.977 10 0 DHAERN CC(C)(COCc1ccccc1)[NH2+]Cc1ccsc1C(=O)[O-] ZINC000389941919 972256711 /nfs/dbraw/zinc/25/67/11/972256711.db2.gz GTJZOVKLYPEVNL-UHFFFAOYSA-N 0 0 319.426 3.531 10 0 DHAERN CCC[C@](C)([NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[O-] ZINC000159378318 959116454 /nfs/dbraw/zinc/11/64/54/959116454.db2.gz FJMVTDSEJVURBI-ZDUSSCGKSA-N 0 0 307.287 3.578 10 0 DHAERN O=C([O-])C[N@H+](Cc1ccccc1)Cc1ccc(C(F)F)cc1 ZINC000692426036 976465138 /nfs/dbraw/zinc/46/51/38/976465138.db2.gz JWTTXYQCRXYXLI-UHFFFAOYSA-N 0 0 305.324 3.711 10 0 DHAERN CC(C)(C)[C@H](NC(=O)N1CCOC[C@H]1C1CC1)c1cccs1 ZINC000089890755 1032370928 /nfs/dbraw/zinc/37/09/28/1032370928.db2.gz DYUIXQANXDEGOZ-DZGCQCFKSA-N 0 0 322.474 3.656 10 0 DHAERN Clc1ccc([C@H](NCc2ccsc2)c2ncon2)cc1 ZINC000090202355 1032389298 /nfs/dbraw/zinc/38/92/98/1032389298.db2.gz GFDUOFFWFCHOTM-ZDUSSCGKSA-N 0 0 305.790 3.664 10 0 DHAERN Cc1ccccc1CN[C@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202458 1032390384 /nfs/dbraw/zinc/39/03/84/1032390384.db2.gz KOODSYWSYSTPPJ-INIZCTEOSA-N 0 0 313.788 3.911 10 0 DHAERN O=C(C1CCCCC1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062078709 1025937974 /nfs/dbraw/zinc/93/79/74/1025937974.db2.gz UKNZZSFGHOQCFS-MRXNPFEDSA-N 0 0 301.430 3.884 10 0 DHAERN CC(C)[C@H](C)CC(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000067924453 1030529242 /nfs/dbraw/zinc/52/92/42/1030529242.db2.gz WTKSWXFJBYKGNP-WBMJQRKESA-N 0 0 311.372 3.547 10 0 DHAERN CCOCCN(CC)Cc1ncc(-c2ccccc2Cl)o1 ZINC000075718750 1030684235 /nfs/dbraw/zinc/68/42/35/1030684235.db2.gz LPCXXWQDJIQLSK-UHFFFAOYSA-N 0 0 308.809 3.853 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N1CC=C(c2cccs2)CC1 ZINC000080360667 1031345431 /nfs/dbraw/zinc/34/54/31/1031345431.db2.gz LLDIQPNYFZBUGD-UHFFFAOYSA-N 0 0 319.376 3.885 10 0 DHAERN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@H]1CCCn2ccnc21 ZINC000080554779 1031398270 /nfs/dbraw/zinc/39/82/70/1031398270.db2.gz KPGOMJBYVLZSKZ-ZFWWWQNUSA-N 0 0 323.396 3.726 10 0 DHAERN COc1cc(OC)cc([C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000081642961 1031565679 /nfs/dbraw/zinc/56/56/79/1031565679.db2.gz JJEJTVKCXYVXRV-HNNXBMFYSA-N 0 0 317.429 3.600 10 0 DHAERN CO[C@@H](C)CNC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000190366415 334925987 /nfs/dbraw/zinc/92/59/87/334925987.db2.gz DIMXNYUXFASOLO-YUMQZZPRSA-N 0 0 323.195 3.528 10 0 DHAERN CS(=O)(=O)c1ccc(-c2ccccc2Br)cc1 ZINC000095616857 185382785 /nfs/dbraw/zinc/38/27/85/185382785.db2.gz LPOQSZQVVZDJRZ-UHFFFAOYSA-N 0 0 311.200 3.520 10 0 DHAERN CC(C)(C)c1cc(OC2CC2)cnc1I ZINC000095721651 185383497 /nfs/dbraw/zinc/38/34/97/185383497.db2.gz JCCZUTJLUCOUKB-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CSc1ccc(I)cc1OC1CC1 ZINC000095732833 185383742 /nfs/dbraw/zinc/38/37/42/185383742.db2.gz MPULPXSLUNSTMN-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1ccc(Br)c(C)c1 ZINC000087406503 185224119 /nfs/dbraw/zinc/22/41/19/185224119.db2.gz WZBFRNKASWGAKH-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN COc1cc(OC)c(N[C@@H](C)c2cn(C)nc2C)cc1Cl ZINC000087406533 185224207 /nfs/dbraw/zinc/22/42/07/185224207.db2.gz MUYVIDSKDQJHAB-VIFPVBQESA-N 0 0 309.797 3.572 10 0 DHAERN COc1ccc2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)CC2 ZINC000087492984 185226648 /nfs/dbraw/zinc/22/66/48/185226648.db2.gz MZTMCSKWSQDRAX-OAHLLOKOSA-N 0 0 300.354 3.779 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](CC(C)C)c1cccs1 ZINC000090224534 185287432 /nfs/dbraw/zinc/28/74/32/185287432.db2.gz RILFKMSMRPQEKZ-UONOGXRCSA-N 0 0 304.463 3.860 10 0 DHAERN CCCC(CCC)C(=O)N1NC(=O)C[C@H]1c1ccc(C)cc1 ZINC000090416144 185295072 /nfs/dbraw/zinc/29/50/72/185295072.db2.gz WSNCAPNVDODUKV-INIZCTEOSA-N 0 0 302.418 3.516 10 0 DHAERN Cc1nn(C(=O)OC(C)(C)C)c2cc(Br)ccc12 ZINC000090413034 185295211 /nfs/dbraw/zinc/29/52/11/185295211.db2.gz NMNJVQBQTDQWOM-UHFFFAOYSA-N 0 0 311.179 3.890 10 0 DHAERN Oc1ccc(-c2ccc(OCCO[C@@H]3CCCCO3)cc2)cc1 ZINC000090443419 185296833 /nfs/dbraw/zinc/29/68/33/185296833.db2.gz USGITYZUAYVSND-LJQANCHMSA-N 0 0 314.381 3.981 10 0 DHAERN Oc1ccc(-c2ccc(OCCO[C@H]3CCCCO3)cc2)cc1 ZINC000090443421 185296913 /nfs/dbraw/zinc/29/69/13/185296913.db2.gz USGITYZUAYVSND-IBGZPJMESA-N 0 0 314.381 3.981 10 0 DHAERN Cc1csc([C@H]2CN(Cc3cccc(C)c3C)CCO2)n1 ZINC000092789991 185341374 /nfs/dbraw/zinc/34/13/74/185341374.db2.gz VJVKSVSNHWWSRP-MRXNPFEDSA-N 0 0 302.443 3.642 10 0 DHAERN Cc1ccsc1CN1CCCC[C@H]1c1nnc2n1CCCC2 ZINC000092812170 185343336 /nfs/dbraw/zinc/34/33/36/185343336.db2.gz DGQKHWFMOQALSP-AWEZNQCLSA-N 0 0 316.474 3.712 10 0 DHAERN Fc1cc(CN2CCO[C@@H](c3nccs3)C2)ccc1Cl ZINC000092831976 185344745 /nfs/dbraw/zinc/34/47/45/185344745.db2.gz ZVXAZMPCHVIURL-CYBMUJFWSA-N 0 0 312.797 3.509 10 0 DHAERN C/C(=C/c1ccccc1)CN1CCO[C@@H](c2nc(C)cs2)C1 ZINC000092790097 185341422 /nfs/dbraw/zinc/34/14/22/185341422.db2.gz KMNKUDYESWWJLQ-OOXMNIKJSA-N 0 0 314.454 3.928 10 0 DHAERN COC[C@H](C)C(=O)N(Cc1cccs1)Cc1cccs1 ZINC000103361137 185448144 /nfs/dbraw/zinc/44/81/44/185448144.db2.gz LPYXVDZAUUHMGW-LBPRGKRZSA-N 0 0 309.456 3.621 10 0 DHAERN C[C@H]1CN(c2ncnc3sccc32)[C@@H](c2ccccc2)CO1 ZINC000107070541 185468615 /nfs/dbraw/zinc/46/86/15/185468615.db2.gz HDYITVDSQMARGE-SWLSCSKDSA-N 0 0 311.410 3.658 10 0 DHAERN CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 ZINC000226255686 201769937 /nfs/dbraw/zinc/76/99/37/201769937.db2.gz LTYAOTCZKABTLN-UHFFFAOYSA-N 0 0 309.413 3.684 10 0 DHAERN Cc1ccc(COc2ccc(/C=C/C(N)=O)cc2Cl)cc1 ZINC000226333204 201776278 /nfs/dbraw/zinc/77/62/78/201776278.db2.gz BQURMAVMJFUQAD-VQHVLOKHSA-N 0 0 301.773 3.726 10 0 DHAERN CC(C)(C)Oc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)cc1 ZINC000081634625 334956793 /nfs/dbraw/zinc/95/67/93/334956793.db2.gz ABHYYFBRKPVMMG-BBRMVZONSA-N 0 0 320.433 3.537 10 0 DHAERN Nc1ccn(CCOc2cc(Cl)c(Cl)cc2Cl)n1 ZINC000071378852 190964222 /nfs/dbraw/zinc/96/42/22/190964222.db2.gz UERKHQAENSMJLN-UHFFFAOYSA-N 0 0 306.580 3.505 10 0 DHAERN Brc1ccc(-n2nccc2-c2nccs2)cc1 ZINC000072190505 191073467 /nfs/dbraw/zinc/07/34/67/191073467.db2.gz BSSDJVWXULJZFJ-UHFFFAOYSA-N 0 0 306.188 3.758 10 0 DHAERN Nc1cc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2cn1 ZINC000148544424 186044990 /nfs/dbraw/zinc/04/49/90/186044990.db2.gz YZPRIRZUHZVNCB-UHFFFAOYSA-N 0 0 306.156 3.657 10 0 DHAERN COc1ccc(Nc2nc(N3CCCC3)nc3ccccc32)cc1 ZINC000072261066 191090076 /nfs/dbraw/zinc/09/00/76/191090076.db2.gz DQFNSQMZAADMDS-UHFFFAOYSA-N 0 0 320.396 3.982 10 0 DHAERN COCc1nn2c(ncc3c2CCCC3)c1-c1ccc(F)cc1 ZINC000072451927 191171671 /nfs/dbraw/zinc/17/16/71/191171671.db2.gz ZCJNHANNFHMKER-UHFFFAOYSA-N 0 0 311.360 3.561 10 0 DHAERN COc1ccc(-c2nc3nccc(-c4ccsc4)n3n2)cc1 ZINC000072451513 191171781 /nfs/dbraw/zinc/17/17/81/191171781.db2.gz FWGPIBARKFHBMC-UHFFFAOYSA-N 0 0 308.366 3.528 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000072850407 191238314 /nfs/dbraw/zinc/23/83/14/191238314.db2.gz ONORDBUXSZPNPL-NWDGAFQWSA-N 0 0 313.319 3.740 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Nc2ccccc2F)cc1OC ZINC000001946525 180903506 /nfs/dbraw/zinc/90/35/06/180903506.db2.gz MWPJQYATLNZFPC-PKNBQFBNSA-N 0 0 315.344 3.885 10 0 DHAERN O=C(Cc1cccs1)Nc1nnc(-c2ccc(F)cc2)s1 ZINC000004087771 181070888 /nfs/dbraw/zinc/07/08/88/181070888.db2.gz WIIPFUFIRPLKTR-UHFFFAOYSA-N 0 0 319.386 3.587 10 0 DHAERN C[C@H]1CC[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]2C1 ZINC000004377589 181104067 /nfs/dbraw/zinc/10/40/67/181104067.db2.gz CDAVCIQKORJVFJ-ZEGGKSINSA-N 0 0 312.196 3.919 10 0 DHAERN Nc1ccccc1Oc1ncnc2c(-c3ccccc3)c[nH]c21 ZINC000073737733 191350611 /nfs/dbraw/zinc/35/06/11/191350611.db2.gz XCOJDJLBMONJBB-UHFFFAOYSA-N 0 0 302.337 3.999 10 0 DHAERN CCSCC[C@H](C)N(C)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000075381743 191468728 /nfs/dbraw/zinc/46/87/28/191468728.db2.gz UVWGTCJJKONACK-UONOGXRCSA-N 0 0 309.475 3.789 10 0 DHAERN Cc1nn2cc(C(=O)Nc3ccc(C(C)(C)C)cc3)nc2s1 ZINC000077912883 191794774 /nfs/dbraw/zinc/79/47/74/191794774.db2.gz PYOAVKTUVFXTGT-UHFFFAOYSA-N 0 0 314.414 3.649 10 0 DHAERN CNC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(C)c(C)c1 ZINC000005144944 181209364 /nfs/dbraw/zinc/20/93/64/181209364.db2.gz XQBUEAOBZDJAGZ-UHFFFAOYSA-N 0 0 316.426 3.594 10 0 DHAERN CC(=O)c1c(=O)[nH]c2c(Cl)ccc3c2c1-c1ccccc1C3=O ZINC000005236074 181219791 /nfs/dbraw/zinc/21/97/91/181219791.db2.gz WNDWOLCFKCBGKI-UHFFFAOYSA-N 0 0 323.735 3.596 10 0 DHAERN CC(=O)Oc1ccccc1C(=O)Nc1ccccc1C(F)(F)F ZINC000005379042 181236510 /nfs/dbraw/zinc/23/65/10/181236510.db2.gz DVXWOORYQMOSBE-UHFFFAOYSA-N 0 0 323.270 3.883 10 0 DHAERN Cc1csc(NC(=O)/C=C/c2ccc(Br)cc2)n1 ZINC000005669750 181269278 /nfs/dbraw/zinc/26/92/78/181269278.db2.gz DFPNURCHXVWEAA-QPJJXVBHSA-N 0 0 323.215 3.866 10 0 DHAERN CCc1ccc([C@@H](C)C(=O)N2CCCc3c(N)cccc32)cc1 ZINC000236958875 202093769 /nfs/dbraw/zinc/09/37/69/202093769.db2.gz QAEZJXXRERJSNG-CQSZACIVSA-N 0 0 308.425 3.914 10 0 DHAERN CCOc1ccc(CCC(=O)N2CCCc3c(N)cccc32)cc1 ZINC000236971620 202101100 /nfs/dbraw/zinc/10/11/00/202101100.db2.gz HRSRTDSEBZUUNK-UHFFFAOYSA-N 0 0 324.424 3.580 10 0 DHAERN CCc1cc(CCc2nc3c(o2)c(C)ccc3C)c(=O)[nH]c1C ZINC000005887008 181293208 /nfs/dbraw/zinc/29/32/08/181293208.db2.gz XKSPCHATHZHOGY-UHFFFAOYSA-N 0 0 310.397 3.789 10 0 DHAERN CCC(=O)Nc1scc(-c2ccc(F)cc2)c1C(=O)OC ZINC000005916302 181295606 /nfs/dbraw/zinc/29/56/06/181295606.db2.gz WANNGUXWTFDFJL-UHFFFAOYSA-N 0 0 307.346 3.689 10 0 DHAERN CCc1onc(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000089400561 192781671 /nfs/dbraw/zinc/78/16/71/192781671.db2.gz ZHUDYYRYRFOYPZ-WDEREUQCSA-N 0 0 306.312 3.566 10 0 DHAERN CCCCCONC(=O)Nc1ccc(Br)cc1 ZINC000005951337 181299887 /nfs/dbraw/zinc/29/98/87/181299887.db2.gz ZLZVVEMROPEIJO-UHFFFAOYSA-N 0 0 301.184 3.692 10 0 DHAERN CN(C)c1ccc(C(=O)Nc2nc3ccc(F)cc3s2)cc1 ZINC000006247475 181322474 /nfs/dbraw/zinc/32/24/74/181322474.db2.gz XYGBPPLGWLTXHK-UHFFFAOYSA-N 0 0 315.373 3.754 10 0 DHAERN C[C@H](NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000006286835 181326229 /nfs/dbraw/zinc/32/62/29/181326229.db2.gz SPMHUSDGKDKNIV-KMYSJOAASA-N 0 0 313.441 3.787 10 0 DHAERN CCc1cccc2c(C=O)cn(Cc3ccc(C(=O)OC)cc3)c21 ZINC000006285846 181326682 /nfs/dbraw/zinc/32/66/82/181326682.db2.gz XYLBDEBYRPMBTL-UHFFFAOYSA-N 0 0 321.376 3.851 10 0 DHAERN CCCCC(=O)NC(NC(=O)CCCC)c1ccccc1Cl ZINC000006396614 181337032 /nfs/dbraw/zinc/33/70/32/181337032.db2.gz BKUZELBCSNETGX-UHFFFAOYSA-N 0 0 324.852 3.951 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)N2C[C@H](C)C[C@H](C)C2)cc1 ZINC000006396645 181336966 /nfs/dbraw/zinc/33/69/66/181336966.db2.gz XRBJJBSBFBEPET-GASCZTMLSA-N 0 0 316.445 3.933 10 0 DHAERN CCCCC(=O)Nc1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000006594257 181359175 /nfs/dbraw/zinc/35/91/75/181359175.db2.gz NZWZHCHCEIDXAV-AWEZNQCLSA-N 0 0 302.418 3.687 10 0 DHAERN C[C@H](NC(=O)Cn1ncc2c1cccc2Cl)c1ccccc1 ZINC000006768269 181385338 /nfs/dbraw/zinc/38/53/38/181385338.db2.gz LXNPBKPKVNQQRF-LBPRGKRZSA-N 0 0 313.788 3.567 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@]2(CNc3ccccc3C2)C1 ZINC000091297468 193034448 /nfs/dbraw/zinc/03/44/48/193034448.db2.gz LKIXZLHWNLXFAO-GOSISDBHSA-N 0 0 302.418 3.672 10 0 DHAERN COc1cc2c(cc1Cl)C(=O)[C@@](CCF)(CCC(C)=O)C2 ZINC000091302133 193035494 /nfs/dbraw/zinc/03/54/94/193035494.db2.gz RRKOOMHEYYZWTH-MRXNPFEDSA-N 0 0 312.768 3.803 10 0 DHAERN CCC1CCC(NC(=O)c2cccnc2Br)CC1 ZINC000134427125 335002742 /nfs/dbraw/zinc/00/27/42/335002742.db2.gz QBAALUQKTOLPGE-UHFFFAOYSA-N 0 0 311.223 3.543 10 0 DHAERN Cc1ccc(S(=O)(=O)n2ccc3ccc(Cl)cc32)cc1 ZINC000095093347 193423134 /nfs/dbraw/zinc/42/31/34/193423134.db2.gz PDTINBYILVIGEO-UHFFFAOYSA-N 0 0 305.786 3.840 10 0 DHAERN Brc1cc(Br)c(-c2ccccc2)nn1 ZINC000095935501 193450032 /nfs/dbraw/zinc/45/00/32/193450032.db2.gz LINXZJNHOAOKNW-UHFFFAOYSA-N 0 0 313.980 3.669 10 0 DHAERN COc1ccc(Br)cc1/C=C/C(=O)NC1CCCC1 ZINC000008081162 181525051 /nfs/dbraw/zinc/52/50/51/181525051.db2.gz HQEQZXHSDRJZDS-RMKNXTFCSA-N 0 0 324.218 3.530 10 0 DHAERN CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2c(C)cccc2C)c1 ZINC000008162982 181531706 /nfs/dbraw/zinc/53/17/06/181531706.db2.gz XAKRVVFVIUATHL-OAHLLOKOSA-N 0 0 311.381 3.912 10 0 DHAERN CCOc1ccc(Nc2nc(C(=O)NCC(C)C)cs2)cc1 ZINC000009208743 181607469 /nfs/dbraw/zinc/60/74/69/181607469.db2.gz BPQWXSIVPCMSQP-UHFFFAOYSA-N 0 0 319.430 3.671 10 0 DHAERN O=C(OCCc1ccccn1)C(c1ccccc1)c1ccccc1 ZINC000013208941 181837845 /nfs/dbraw/zinc/83/78/45/181837845.db2.gz IIBUVPKHFWFIES-UHFFFAOYSA-N 0 0 317.388 3.999 10 0 DHAERN O=C([C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1)C(F)(F)F ZINC000013470355 181853280 /nfs/dbraw/zinc/85/32/80/181853280.db2.gz UULZNQAKNIEXQW-AWEZNQCLSA-N 0 0 310.271 3.556 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1OC ZINC000015414138 182001097 /nfs/dbraw/zinc/00/10/97/182001097.db2.gz GCSFQPSLGBEBAN-CSKARUKUSA-N 0 0 315.344 3.885 10 0 DHAERN CC[C@H](Oc1ccc(C=O)cc1)C(=O)Nc1c(C)cccc1C ZINC000016896481 182062298 /nfs/dbraw/zinc/06/22/98/182062298.db2.gz SFAOLXMRIRWIPO-KRWDZBQOSA-N 0 0 311.381 3.912 10 0 DHAERN CCc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 ZINC000016966004 182066340 /nfs/dbraw/zinc/06/63/40/182066340.db2.gz DXMPYWBXNSLISW-MDZDMXLPSA-N 0 0 301.415 3.876 10 0 DHAERN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(F)c(N)c2)cc1 ZINC000019231438 182109470 /nfs/dbraw/zinc/10/94/70/182109470.db2.gz WXNIPAYPVUEKTM-LLVKDONJSA-N 0 0 304.390 3.836 10 0 DHAERN Cc1cccc(N)c1C(=O)Nc1ccc(Br)c(C)c1 ZINC000019517763 182127052 /nfs/dbraw/zinc/12/70/52/182127052.db2.gz GERJNEKJABDYPT-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN NC(=S)c1ccc(COc2cccc(Br)c2)cc1 ZINC000019432566 182123317 /nfs/dbraw/zinc/12/33/17/182123317.db2.gz LGAOLIINXLCFBM-UHFFFAOYSA-N 0 0 322.227 3.662 10 0 DHAERN Cc1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000020020349 182178729 /nfs/dbraw/zinc/17/87/29/182178729.db2.gz FIDRQUSDKGOSIP-AWEZNQCLSA-N 0 0 303.427 3.880 10 0 DHAERN Cc1ccc(Oc2ccccc2C(N)=O)c(Br)c1 ZINC000020077734 182185511 /nfs/dbraw/zinc/18/55/11/182185511.db2.gz IZJYWNNZLAZVEH-UHFFFAOYSA-N 0 0 306.159 3.649 10 0 DHAERN Cc1cc(NC(=O)Cc2cccc(N)c2)ccc1Br ZINC000020186190 182195128 /nfs/dbraw/zinc/19/51/28/182195128.db2.gz XTDSVMSSJOYKHY-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN Nc1cccc(CCC(=O)Nc2ccccc2Br)c1 ZINC000020187211 182195571 /nfs/dbraw/zinc/19/55/71/182195571.db2.gz VYGUHFHBOWJWLP-UHFFFAOYSA-N 0 0 319.202 3.603 10 0 DHAERN Cc1ccc(CN(C)c2ccc(Br)cc2N)cc1 ZINC000020264222 182200797 /nfs/dbraw/zinc/20/07/97/182200797.db2.gz RRNLUEOWZXZHTI-UHFFFAOYSA-N 0 0 305.219 3.976 10 0 DHAERN Cc1nc2scc(-c3ccc(Cl)cc3)c2c(NCCO)n1 ZINC000020324279 182207587 /nfs/dbraw/zinc/20/75/87/182207587.db2.gz MMGNNCHXTRXIRI-UHFFFAOYSA-N 0 0 319.817 3.724 10 0 DHAERN CCc1cccc(OCC(=O)Nc2ccc(N)cc2Cl)c1 ZINC000020344551 182209692 /nfs/dbraw/zinc/20/96/92/182209692.db2.gz PNWFVJUBJSMKEC-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN CC(C)(C)OCCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000020507488 182225709 /nfs/dbraw/zinc/22/57/09/182225709.db2.gz NEYXVDJOUCGLLE-UHFFFAOYSA-N 0 0 305.205 3.719 10 0 DHAERN Nc1cccc(NC(=O)COc2cccc(Cl)c2Cl)c1 ZINC000021512895 182276306 /nfs/dbraw/zinc/27/63/06/182276306.db2.gz GVPQYPDVTLAVBN-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2cccc(Br)c2)o1 ZINC000021839506 182294955 /nfs/dbraw/zinc/29/49/55/182294955.db2.gz PLGLZCSPJCMRCS-JTQLQIEISA-N 0 0 308.175 3.842 10 0 DHAERN CC1(C)OC[C@@H](COc2ccccc2OCc2ccccc2)O1 ZINC000022006317 182303535 /nfs/dbraw/zinc/30/35/35/182303535.db2.gz OGVIQJJLNDUROX-MRXNPFEDSA-N 0 0 314.381 3.796 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1 ZINC000023387000 182359441 /nfs/dbraw/zinc/35/94/41/182359441.db2.gz UNHCIBPKAROQSV-ZJUUUORDSA-N 0 0 306.715 3.586 10 0 DHAERN Nc1ncnc2ccc([S@](=O)c3ccc4ccccc4c3)cc12 ZINC000025970854 182427204 /nfs/dbraw/zinc/42/72/04/182427204.db2.gz WKTNHYNLNBRPTF-QHCPKHFHSA-N 0 0 319.389 3.532 10 0 DHAERN COc1ccc(-c2nc3n(c2-c2ccncc2)CCS3)cc1 ZINC000027853836 182493538 /nfs/dbraw/zinc/49/35/38/182493538.db2.gz ZHWNEMPWBUUIII-UHFFFAOYSA-N 0 0 309.394 3.726 10 0 DHAERN Cc1cccc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)c1 ZINC000028092827 182507973 /nfs/dbraw/zinc/50/79/73/182507973.db2.gz ZVNWSCBOLGWAMO-GOSISDBHSA-N 0 0 324.424 3.697 10 0 DHAERN CC[C@@H](C)c1nn(C)c(N)c1-c1cccc(Br)c1 ZINC000036765925 182842045 /nfs/dbraw/zinc/84/20/45/182842045.db2.gz TWFVDNZNBLLYQO-SECBINFHSA-N 0 0 308.223 3.945 10 0 DHAERN Cc1c(C(=O)Oc2ccc(C)cc2)nnn1-c1cc(C)cc(C)c1 ZINC000036639081 182832901 /nfs/dbraw/zinc/83/29/01/182832901.db2.gz KXEBUIPWXODZBQ-UHFFFAOYSA-N 0 0 321.380 3.720 10 0 DHAERN Cc1c(N)cccc1C(=O)Nc1cc(Br)ccc1F ZINC000036750447 182840051 /nfs/dbraw/zinc/84/00/51/182840051.db2.gz LZMKLQFVVKUJRD-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN Cc1nn(C)c(Oc2ccc(Cl)cc2Br)c1N ZINC000036749508 182840253 /nfs/dbraw/zinc/84/02/53/182840253.db2.gz ICDIQRZQUOTKPG-UHFFFAOYSA-N 0 0 316.586 3.519 10 0 DHAERN C[C@H](Nc1ccnc(C(=O)N(C)C)c1)c1cccc(Cl)c1 ZINC000037979485 182950363 /nfs/dbraw/zinc/95/03/63/182950363.db2.gz BUWMLWJFXQKVSW-NSHDSACASA-N 0 0 303.793 3.610 10 0 DHAERN Cc1ccc(S(=O)(=O)N2C[C@@H]2c2ccc3ccccc3c2)cc1 ZINC000038882976 183012148 /nfs/dbraw/zinc/01/21/48/183012148.db2.gz VDXITXKENBMEIA-FIWHBWSRSA-N 0 0 323.417 3.894 10 0 DHAERN O=C1CCCc2cc([C@H](O)c3ccc(Cl)cc3)ccc2N1 ZINC000040261206 183049372 /nfs/dbraw/zinc/04/93/72/183049372.db2.gz QIGLOMRQAMYUJE-QGZVFWFLSA-N 0 0 301.773 3.697 10 0 DHAERN CCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040200082 183045679 /nfs/dbraw/zinc/04/56/79/183045679.db2.gz ZCIYENKHEKIJML-UHFFFAOYSA-N 0 0 321.424 3.727 10 0 DHAERN C=CC(=O)NCCCCCc1nc2ccccc2n1CCCC ZINC000040219568 183046812 /nfs/dbraw/zinc/04/68/12/183046812.db2.gz OCYDSAOQXJHESL-UHFFFAOYSA-N 0 0 313.445 3.851 10 0 DHAERN COCc1nc2ccccc2n1CCOc1ccc(C)c(C)c1 ZINC000040232070 183048876 /nfs/dbraw/zinc/04/88/76/183048876.db2.gz DBQZCRTZLRQAEL-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 ZINC000040311884 183053260 /nfs/dbraw/zinc/05/32/60/183053260.db2.gz ZYPLUDWNUBXLAV-UHFFFAOYSA-N 0 0 322.412 3.970 10 0 DHAERN CCCNC(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040307208 183053647 /nfs/dbraw/zinc/05/36/47/183053647.db2.gz AHRAEPNOTPWJJR-UHFFFAOYSA-N 0 0 307.397 3.538 10 0 DHAERN COCCn1c(COc2cccc(C)c2C)nc2ccccc21 ZINC000040389674 183060119 /nfs/dbraw/zinc/06/01/19/183060119.db2.gz OSIXJILTIWHXAO-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN CC[NH+](CC)CCCn1c2ccc(C(=O)[O-])cc2nc1C(C)C ZINC000040403624 183061441 /nfs/dbraw/zinc/06/14/41/183061441.db2.gz VYIDOQUSKIANTB-UHFFFAOYSA-N 0 0 317.433 3.590 10 0 DHAERN CC(C)(C)Nc1ncnc(NC23CC4CC(CC(C4)C2)C3)c1N ZINC000040680521 183117032 /nfs/dbraw/zinc/11/70/32/183117032.db2.gz CPYPAUSHVZMKHX-UHFFFAOYSA-N 0 0 315.465 3.650 10 0 DHAERN Cc1cc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)no1 ZINC000040680776 183117370 /nfs/dbraw/zinc/11/73/70/183117370.db2.gz MEIGDSCYNJSFNZ-UHFFFAOYSA-N 0 0 311.345 3.508 10 0 DHAERN CCCNc1ncnc(Nc2ccc(Cl)cc2Cl)c1N ZINC000040707804 183120928 /nfs/dbraw/zinc/12/09/28/183120928.db2.gz KNBFJTFAJKKEFL-UHFFFAOYSA-N 0 0 312.204 3.931 10 0 DHAERN Nc1c(Nc2ccccn2)ncnc1Nc1ccccc1Cl ZINC000040778926 183132358 /nfs/dbraw/zinc/13/23/58/183132358.db2.gz TZZKIVVNFHBXEM-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN COc1ccccc1Oc1ncnc(Nc2ccc(C)cc2)c1N ZINC000040782118 183133023 /nfs/dbraw/zinc/13/30/23/183133023.db2.gz QJTOCUANMSBVQI-UHFFFAOYSA-N 0 0 322.368 3.912 10 0 DHAERN Nc1c(Nc2nccs2)ncnc1Nc1cccc(Cl)c1 ZINC000040780791 183133062 /nfs/dbraw/zinc/13/30/62/183133062.db2.gz NBSZCPJZSZAXLB-UHFFFAOYSA-N 0 0 318.793 3.656 10 0 DHAERN Nc1c(Nc2ccccc2)ncnc1Nc1ccc(F)c(F)c1 ZINC000040781121 183133301 /nfs/dbraw/zinc/13/33/01/183133301.db2.gz CQQFHWNXFMNXBY-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN CC(C)CCNc1ncnc(Nc2ccc(F)cc2F)c1N ZINC000040797824 183135355 /nfs/dbraw/zinc/13/53/55/183135355.db2.gz NSYRIGSQDSBXRO-UHFFFAOYSA-N 0 0 307.348 3.539 10 0 DHAERN Nc1c(NC2CCCCCC2)ncnc1N1CCCCCC1 ZINC000040725688 183124804 /nfs/dbraw/zinc/12/48/04/183124804.db2.gz IEVYESGMMFOBMQ-UHFFFAOYSA-N 0 0 303.454 3.574 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ncccc3C)c2N)cc1 ZINC000040758036 183129882 /nfs/dbraw/zinc/12/98/82/183129882.db2.gz JRNWCONERULRDH-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ccccc3F)c2N)c1 ZINC000040759156 183130255 /nfs/dbraw/zinc/13/02/55/183130255.db2.gz FNPFSTRHQHKVHS-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN CCOc1ccc(/C=C/C(=O)Oc2ccc(F)cc2)cc1OC ZINC000040890452 183146233 /nfs/dbraw/zinc/14/62/33/183146233.db2.gz FTPLPOGDKMMHFT-VZUCSPMQSA-N 0 0 316.328 3.852 10 0 DHAERN CCCC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 ZINC000040966307 183152948 /nfs/dbraw/zinc/15/29/48/183152948.db2.gz NXDYHAAIGIKWGJ-UHFFFAOYSA-N 0 0 317.410 3.517 10 0 DHAERN O=C(Nc1ccnc2ccc(C(F)(F)F)cc21)c1cccnc1 ZINC000041057188 183160086 /nfs/dbraw/zinc/16/00/86/183160086.db2.gz OVAYGICZFFHFRS-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN OC[C@@H](Cc1ccccc1F)c1cccc(Br)c1 ZINC000041542935 183201456 /nfs/dbraw/zinc/20/14/56/183201456.db2.gz UWJPYHBKDVTSTI-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN O=S1CCC(Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000042335471 183255197 /nfs/dbraw/zinc/25/51/97/183255197.db2.gz IFXOSFNGUFQRMU-UHFFFAOYSA-N 0 0 311.756 3.682 10 0 DHAERN CCCCCN(c1nc(Cl)c(C(=O)OC)s1)C(C)C ZINC000042553185 183284214 /nfs/dbraw/zinc/28/42/14/183284214.db2.gz RVOGHEXXYVVBPW-UHFFFAOYSA-N 0 0 304.843 3.988 10 0 DHAERN CCCCN(c1ncc(Br)cc1N)[C@@H](C)CC ZINC000042602526 183290133 /nfs/dbraw/zinc/29/01/33/183290133.db2.gz UUSIEYGKIRRBQO-JTQLQIEISA-N 0 0 300.244 3.831 10 0 DHAERN Nc1cc(Br)ccc1NCCOc1ccccc1 ZINC000042895194 183317669 /nfs/dbraw/zinc/31/76/69/183317669.db2.gz OMZWZHIRHAMSLP-UHFFFAOYSA-N 0 0 307.191 3.522 10 0 DHAERN Nc1ccc(OCc2cc(Br)cs2)cc1F ZINC000043686636 183380616 /nfs/dbraw/zinc/38/06/16/183380616.db2.gz YWVIDOXIJHEEAV-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN CCOC(=O)N1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccc(O)cc13 ZINC000044136172 183395513 /nfs/dbraw/zinc/39/55/13/183395513.db2.gz GNZVOMHQLAKDAV-IEZWGBDMSA-N 0 0 315.413 3.607 10 0 in-vitro DHAERN CC[C@H](C)OCCC(=O)Nc1c(Cl)cc(N)cc1Cl ZINC000048263699 183634898 /nfs/dbraw/zinc/63/48/98/183634898.db2.gz CCEPASKPWZIICI-QMMMGPOBSA-N 0 0 305.205 3.719 10 0 DHAERN CC[C@H](C)[C@@](C)(O)Cc1cc(Br)ccc1OC ZINC000049597799 183746408 /nfs/dbraw/zinc/74/64/08/183746408.db2.gz ZWSXTIMWIISYNS-HZMBPMFUSA-N 0 0 301.224 3.797 10 0 DHAERN COc1ccc(C[C@@H](O)c2ccccc2)cc1Br ZINC000049598522 183746772 /nfs/dbraw/zinc/74/67/72/183746772.db2.gz RJYWVBFTKUYNCD-CQSZACIVSA-N 0 0 307.187 3.734 10 0 DHAERN COc1ccc(COC[C@@H]2CCCCO2)cc1Br ZINC000049601035 183747569 /nfs/dbraw/zinc/74/75/69/183747569.db2.gz UGCVGZOQNSITQI-LBPRGKRZSA-N 0 0 315.207 3.543 10 0 DHAERN Fc1ccc(Cn2ncc3ccccc32)cc1Br ZINC000050527380 183788823 /nfs/dbraw/zinc/78/88/23/183788823.db2.gz SYIZFQKPMIUIKS-UHFFFAOYSA-N 0 0 305.150 3.986 10 0 DHAERN CN(Cc1cc(Br)cs1)c1cc(F)ccc1N ZINC000052121845 183850297 /nfs/dbraw/zinc/85/02/97/183850297.db2.gz SUXONQSNTORABZ-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN C[C@@H](CNCC(F)(F)F)Sc1nc2ccccc2s1 ZINC000053612313 183908689 /nfs/dbraw/zinc/90/86/89/183908689.db2.gz SUUCZZCLWIYPNF-QMMMGPOBSA-N 0 0 306.378 3.929 10 0 DHAERN C[C@@](O)(c1ccc(F)cc1F)c1ccccc1Br ZINC000055238127 183972900 /nfs/dbraw/zinc/97/29/00/183972900.db2.gz ZETHVYYONQXESI-AWEZNQCLSA-N 0 0 313.141 3.983 10 0 DHAERN CCCc1nc(CN(CC)Cc2ccnc3ccccc23)no1 ZINC000055166836 183968225 /nfs/dbraw/zinc/96/82/25/183968225.db2.gz XKHJCVRPJHHFFD-UHFFFAOYSA-N 0 0 310.401 3.592 10 0 DHAERN COc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1F ZINC000056172894 184006401 /nfs/dbraw/zinc/00/64/01/184006401.db2.gz MWHCRWXVPJTONN-STQMWFEESA-N 0 0 316.376 3.512 10 0 DHAERN O=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1 ZINC000057416143 184037882 /nfs/dbraw/zinc/03/78/82/184037882.db2.gz ODKAPTGRISGNFO-UHFFFAOYSA-N 0 0 302.736 3.890 10 0 DHAERN CN(Cc1ccc(Cl)s1)c1nc(Cl)nc(Cl)n1 ZINC000061053287 184160931 /nfs/dbraw/zinc/16/09/31/184160931.db2.gz QTFNETYPUMYPIX-UHFFFAOYSA-N 0 0 309.609 3.530 10 0 DHAERN CC(C)[C@@H](C)N(C)c1ccc([C@@H](C)O)cc1Br ZINC000061695460 184183406 /nfs/dbraw/zinc/18/34/06/184183406.db2.gz OXRJJHIWLLJDDL-GHMZBOCLSA-N 0 0 300.240 3.983 10 0 DHAERN Cc1cc(Br)ccc1Oc1cc(C(N)=S)ccn1 ZINC000063061964 184268814 /nfs/dbraw/zinc/26/88/14/184268814.db2.gz JHHLYXVEBGAZLY-UHFFFAOYSA-N 0 0 323.215 3.579 10 0 DHAERN Cc1cc(F)ccc1NC(=O)c1cccn1-c1cccnc1C ZINC000064839250 184304181 /nfs/dbraw/zinc/30/41/81/184304181.db2.gz HWJSDSKKWSCOGZ-UHFFFAOYSA-N 0 0 309.344 3.881 10 0 DHAERN COc1ccc(C)cc1NC(=O)c1cccn1-c1cccnc1C ZINC000064839252 184304267 /nfs/dbraw/zinc/30/42/67/184304267.db2.gz MYTZEMAKBCHTRA-UHFFFAOYSA-N 0 0 321.380 3.750 10 0 DHAERN CCc1cccc(NC(=O)c2cccn2-c2cccnc2C)c1 ZINC000064839238 184304285 /nfs/dbraw/zinc/30/42/85/184304285.db2.gz CWWMXLBUUHQPLR-UHFFFAOYSA-N 0 0 305.381 3.995 10 0 DHAERN Cc1ncn(-c2ccc(CNC(=O)C3CCCCC3)cc2)c1C ZINC000065201854 184314371 /nfs/dbraw/zinc/31/43/71/184314371.db2.gz QNUSXQLNSMSIDP-UHFFFAOYSA-N 0 0 311.429 3.686 10 0 DHAERN C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(F)cc1Cl ZINC000301291392 132140886 /nfs/dbraw/zinc/14/08/86/132140886.db2.gz USHVPVPAOCXVJL-LURJTMIESA-N 0 0 301.152 3.678 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000121007100 132151883 /nfs/dbraw/zinc/15/18/83/132151883.db2.gz IQIDCDMISGKGHU-YOEHRIQHSA-N 0 0 314.385 3.652 10 0 DHAERN Cc1cncc(N[C@@H]2C[C@@H]2c2ccc(Br)cc2)n1 ZINC000302245522 132155356 /nfs/dbraw/zinc/15/53/56/132155356.db2.gz ZZBUGTNYVZLGAD-CHWSQXEVSA-N 0 0 304.191 3.516 10 0 DHAERN C[C@@H](NC(=O)CCc1ccco1)c1cccc(Br)c1 ZINC000030465782 132168535 /nfs/dbraw/zinc/16/85/35/132168535.db2.gz HUIIDCKPDLIXSB-LLVKDONJSA-N 0 0 322.202 3.852 10 0 DHAERN C[C@@H]1CCCCN1C(=O)C1CCN(c2cccc(Cl)c2)CC1 ZINC000010343309 134496549 /nfs/dbraw/zinc/49/65/49/134496549.db2.gz CNGVHLVHSDDZGC-CQSZACIVSA-N 0 0 320.864 3.957 10 0 DHAERN CCOc1ccccc1OCCSCc1nccn1CC ZINC000175301262 332886328 /nfs/dbraw/zinc/88/63/28/332886328.db2.gz GNTDHGHRBDIFCW-UHFFFAOYSA-N 0 0 306.431 3.614 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(Cl)c(F)c1 ZINC000179550014 331526979 /nfs/dbraw/zinc/52/69/79/331526979.db2.gz PMEIHDSVPYSDMQ-AWEZNQCLSA-N 0 0 305.736 3.733 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCSc3ncccc32)CC(C)(C)C1 ZINC000180753549 331577011 /nfs/dbraw/zinc/57/70/11/331577011.db2.gz ZZZAHZAPCCNHGH-STQMWFEESA-N 0 0 304.459 3.983 10 0 DHAERN Brc1cncc(Oc2ncnc3c2CCCCC3)c1 ZINC000094887421 331663817 /nfs/dbraw/zinc/66/38/17/331663817.db2.gz UGFGZXKCIBPQDS-UHFFFAOYSA-N 0 0 320.190 3.695 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)o1 ZINC000073720303 331669818 /nfs/dbraw/zinc/66/98/18/331669818.db2.gz QSXMBXXBKHAIBK-OEAJRASXSA-N 0 0 320.433 3.638 10 0 DHAERN C[C@@H](NC(=O)N(C)Cc1ccncc1)c1ccc(F)c(Cl)c1 ZINC000056942378 331786588 /nfs/dbraw/zinc/78/65/88/331786588.db2.gz RESYGNBVEORFLR-LLVKDONJSA-N 0 0 321.783 3.777 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1ncc(-c2ccccc2)o1 ZINC000081578508 331985885 /nfs/dbraw/zinc/98/58/85/331985885.db2.gz WLZJVGJSEBGNJZ-CYBMUJFWSA-N 0 0 316.401 3.504 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)c1occc1Br ZINC000176437332 332940949 /nfs/dbraw/zinc/94/09/49/332940949.db2.gz SVAOSZCUQIJFEU-ZDUSSCGKSA-N 0 0 320.186 3.850 10 0 DHAERN COCCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000088784872 332058074 /nfs/dbraw/zinc/05/80/74/332058074.db2.gz NLAQJWUTKZDJCM-AWEZNQCLSA-N 0 0 310.413 3.509 10 0 DHAERN O=C(c1cccc(-c2ccoc2)c1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000089760084 332076672 /nfs/dbraw/zinc/07/66/72/332076672.db2.gz SLRCZWFPIJRXSD-QZTJIDSGSA-N 0 0 311.381 3.730 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(COc3ccccc3)cc2)O1 ZINC000091064810 332099389 /nfs/dbraw/zinc/09/93/89/332099389.db2.gz CCOMENZWBOMTKR-RDTXWAMCSA-N 0 0 311.381 3.772 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)CC[C@H]2CCOC2)cc1 ZINC000176503640 332944517 /nfs/dbraw/zinc/94/45/17/332944517.db2.gz XSYQRCXAXLOHGT-WBVHZDCISA-N 0 0 303.446 3.879 10 0 DHAERN COc1ccc(F)cc1NC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000092103001 332119193 /nfs/dbraw/zinc/11/91/93/332119193.db2.gz IKTKZIPFMHVSBR-SECBINFHSA-N 0 0 324.302 3.995 10 0 DHAERN CCOC(=O)c1csc(N[C@H]2CCCc3ccccc32)n1 ZINC000133094511 332136589 /nfs/dbraw/zinc/13/65/89/332136589.db2.gz KWPTYEFNSOFOMY-ZDUSSCGKSA-N 0 0 302.399 3.809 10 0 DHAERN CCn1cccc1CNc1ccc(Br)c(OC)c1 ZINC000168895658 332602901 /nfs/dbraw/zinc/60/29/01/332602901.db2.gz ZYXDQHMSBHCDBK-UHFFFAOYSA-N 0 0 309.207 3.891 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1C(F)(F)F ZINC000154605127 332747049 /nfs/dbraw/zinc/74/70/49/332747049.db2.gz SVGQCODQFKFCLQ-QJPTWQEYSA-N 0 0 317.351 3.596 10 0 DHAERN CC(C)n1nnnc1CSCc1csc(C2CCCC2)n1 ZINC000176901168 332962362 /nfs/dbraw/zinc/96/23/62/332962362.db2.gz QSHWWQMZYRZPLA-UHFFFAOYSA-N 0 0 323.491 3.802 10 0 DHAERN Cc1cnc([C@@H](C)Nc2ccc(OC(F)(F)F)cn2)s1 ZINC000302531787 332985907 /nfs/dbraw/zinc/98/59/07/332985907.db2.gz CYTDJSRBNKJMNL-MRVPVSSYSA-N 0 0 303.309 3.918 10 0 DHAERN Cc1cc(F)cc(NC(=O)N[C@@H]2CCOc3ccccc32)c1 ZINC000178266543 333006195 /nfs/dbraw/zinc/00/61/95/333006195.db2.gz NUFZDAKASRLQKD-OAHLLOKOSA-N 0 0 300.333 3.779 10 0 DHAERN CC(C)[C@H](O)Cc1nc(Cc2c(Cl)cccc2Cl)no1 ZINC000109492516 333014638 /nfs/dbraw/zinc/01/46/38/333014638.db2.gz FLMSRIQHUIYKBA-GFCCVEGCSA-N 0 0 315.200 3.527 10 0 DHAERN C[C@H]1CN(C(=O)Nc2ccc(C(F)(F)F)cc2)CCS1 ZINC000171721408 333052908 /nfs/dbraw/zinc/05/29/08/333052908.db2.gz VAWVOJWNZLQIRZ-VIFPVBQESA-N 0 0 304.337 3.675 10 0 DHAERN O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC000171748858 333053831 /nfs/dbraw/zinc/05/38/31/333053831.db2.gz NRSLOOQODBFTAR-MNOVXSKESA-N 0 0 319.273 3.622 10 0 DHAERN CCn1c2ccccc2nc1[C@@H](C)NCc1cnn2ccccc12 ZINC000172340343 333061731 /nfs/dbraw/zinc/06/17/31/333061731.db2.gz QYOZSJZDNCKRPE-CQSZACIVSA-N 0 0 319.412 3.555 10 0 DHAERN Cc1cnc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000173654341 333076480 /nfs/dbraw/zinc/07/64/80/333076480.db2.gz UGUAQHXWLLFOSU-CYBMUJFWSA-N 0 0 305.447 3.943 10 0 DHAERN CCC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCn2ncnc21 ZINC000177558006 333130284 /nfs/dbraw/zinc/13/02/84/333130284.db2.gz NWTYQZMBNPWUIW-CVEARBPZSA-N 0 0 318.465 3.616 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000187991864 333156042 /nfs/dbraw/zinc/15/60/42/333156042.db2.gz DTZWIWHMEHRCNL-DYVFJYSZSA-N 0 0 303.402 3.762 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000182171570 333161655 /nfs/dbraw/zinc/16/16/55/333161655.db2.gz GXEKIBGMUNEMQT-GOEBONIOSA-N 0 0 306.454 3.863 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2NCc1ccc(Oc2ccccc2)o1 ZINC000180996050 333166519 /nfs/dbraw/zinc/16/65/19/333166519.db2.gz QJEYYMBQSIMWRQ-MRXNPFEDSA-N 0 0 324.384 3.597 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000188267327 333362644 /nfs/dbraw/zinc/36/26/44/333362644.db2.gz GOZQLJRRPYHWHK-KUQKPQIMSA-N 0 0 301.430 3.644 10 0 DHAERN Cn1cc([C@H]2CCCN2Cc2ccc(Br)cc2)cn1 ZINC000311808824 333389787 /nfs/dbraw/zinc/38/97/87/333389787.db2.gz LNVPZRSKADMIRK-OAHLLOKOSA-N 0 0 320.234 3.520 10 0 DHAERN Nc1cccc2c1CCCN2Cc1ccccc1OC(F)F ZINC000261941199 333474635 /nfs/dbraw/zinc/47/46/35/333474635.db2.gz LJAKXYUTMHKCSG-UHFFFAOYSA-N 0 0 304.340 3.823 10 0 DHAERN CC1(C)C[C@H](NC(=O)NCc2ccccc2)c2ccccc2O1 ZINC000152103409 333610606 /nfs/dbraw/zinc/61/06/06/333610606.db2.gz BVUADPZTIFCBSK-INIZCTEOSA-N 0 0 310.397 3.788 10 0 DHAERN C[C@@H](NC(=O)C(C)(C)CCCc1ccccc1)[C@@H]1CCCO1 ZINC000112570859 334719503 /nfs/dbraw/zinc/71/95/03/334719503.db2.gz VHBKBEHRXAFTEI-WBVHZDCISA-N 0 0 303.446 3.719 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000188759082 334873599 /nfs/dbraw/zinc/87/35/99/334873599.db2.gz QUKULHOVHZMYML-SECBINFHSA-N 0 0 323.751 3.684 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2Nc1cc(C)nc2c(F)cccc12 ZINC000129128464 334902126 /nfs/dbraw/zinc/90/21/26/334902126.db2.gz WVSIFMDWDHOQHW-AWEZNQCLSA-N 0 0 311.364 3.529 10 0 DHAERN CCCCO[C@@H](C)C(=O)N1CCC[C@H](c2nc(CC)cs2)C1 ZINC000113205755 335212077 /nfs/dbraw/zinc/21/20/77/335212077.db2.gz RRZCFIULMJLYOW-KBPBESRZSA-N 0 0 324.490 3.617 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000179251926 335949847 /nfs/dbraw/zinc/94/98/47/335949847.db2.gz AZDYASAWHMBGMV-JXFKEZNVSA-N 0 0 323.436 3.902 10 0 DHAERN FC(F)c1nc2ccccc2c(N2CCC[C@H]2c2ncc[nH]2)n1 ZINC000329308617 335962328 /nfs/dbraw/zinc/96/23/28/335962328.db2.gz ZWWHEJSZGLTBPR-LBPRGKRZSA-N 0 0 315.327 3.632 10 0 DHAERN CN(C)c1nc2ccc(N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)cc2o1 ZINC000329495476 335984151 /nfs/dbraw/zinc/98/41/51/335984151.db2.gz UUDFCACLBXLUDS-APHBMKBZSA-N 0 0 315.417 3.509 10 0 DHAERN CO[C@@](C)(C(=O)N[C@@H](C)c1ccccc1C)c1ccccc1F ZINC000192076796 336016958 /nfs/dbraw/zinc/01/69/58/336016958.db2.gz LJKXBEVESUKDFZ-IFXJQAMLSA-N 0 0 315.388 3.873 10 0 DHAERN CC(C)[C@@H]1N(C(=O)Nc2ccc3ccoc3c2)C[C@@]12CCCO2 ZINC000333195503 336199680 /nfs/dbraw/zinc/19/96/80/336199680.db2.gz PLNIDHVVQQKBQA-WMZOPIPTSA-N 0 0 314.385 3.854 10 0 DHAERN CCCc1csc(NC(=O)N2C[C@@]3(CCCO3)[C@H]2C(C)C)n1 ZINC000333473405 336204446 /nfs/dbraw/zinc/20/44/46/336204446.db2.gz GFMWNYWLDGUDGV-CJNGLKHVSA-N 0 0 323.462 3.517 10 0 DHAERN COc1cccc(C(=O)N[C@H](C)c2ccc(Cl)s2)c1O ZINC000042373331 336239836 /nfs/dbraw/zinc/23/98/36/336239836.db2.gz OLDLATBFTDYXFW-MRVPVSSYSA-N 0 0 311.790 3.607 10 0 DHAERN COc1ccccc1C(C)(C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000103299411 336239927 /nfs/dbraw/zinc/23/99/27/336239927.db2.gz YEGHFKNAWDPXKB-CYBMUJFWSA-N 0 0 316.401 3.892 10 0 DHAERN COC[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000103357720 336240184 /nfs/dbraw/zinc/24/01/84/336240184.db2.gz OOODBVIMTRLVHV-INIZCTEOSA-N 0 0 311.425 3.607 10 0 DHAERN CCN(C(=O)[C@@H](C)COC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000103373325 336240358 /nfs/dbraw/zinc/24/03/58/336240358.db2.gz ADTNWEPUQKUNLD-RYUDHWBXSA-N 0 0 317.351 3.897 10 0 DHAERN COC[C@@H](C)C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000103372466 336240360 /nfs/dbraw/zinc/24/03/60/336240360.db2.gz FNOBVSLVIBQSKX-ZJUUUORDSA-N 0 0 304.217 3.795 10 0 DHAERN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)C(C)C)c1 ZINC000043066106 336244917 /nfs/dbraw/zinc/24/49/17/336244917.db2.gz PXNXWXDRMMKSPX-KBPBESRZSA-N 0 0 319.449 3.515 10 0 DHAERN CCOC(=O)[C@@H](c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 ZINC000192649466 336254346 /nfs/dbraw/zinc/25/43/46/336254346.db2.gz PGGIGAKONKVFFK-UONOGXRCSA-N 0 0 315.335 3.565 10 0 DHAERN Cc1nnc(NC(=O)N[C@@H](C)c2ccc3ccccc3c2)s1 ZINC000043407360 336255359 /nfs/dbraw/zinc/25/53/59/336255359.db2.gz QYISEUCDTBFPTJ-JTQLQIEISA-N 0 0 312.398 3.882 10 0 DHAERN Brc1ccsc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043511825 336263509 /nfs/dbraw/zinc/26/35/09/336263509.db2.gz YSEDVJWXRJEEJK-NWDGAFQWSA-N 0 0 316.264 3.654 10 0 DHAERN CCCOc1ccc(CNC(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000043721382 336271306 /nfs/dbraw/zinc/27/13/06/336271306.db2.gz JIQAMSMSRHVKFK-CQSZACIVSA-N 0 0 316.401 3.937 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1ccc2c(c1)OCO2)c1cccs1 ZINC000031107002 336279241 /nfs/dbraw/zinc/27/92/41/336279241.db2.gz WAKMTKGSLHUWPI-WDEREUQCSA-N 0 0 318.398 3.598 10 0 DHAERN c1cnn(CCNc2nc(-c3ccsc3)nc3ccccc32)c1 ZINC000301072427 336288416 /nfs/dbraw/zinc/28/84/16/336288416.db2.gz GZFFPCSWKHAZEL-UHFFFAOYSA-N 0 0 321.409 3.667 10 0 DHAERN FC(F)(F)c1cccnc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301189291 336294096 /nfs/dbraw/zinc/29/40/96/336294096.db2.gz LJUFALDZJMRZSV-GFCCVEGCSA-N 0 0 307.319 3.791 10 0 DHAERN CCOC(=O)c1ccc(N2CC=C(c3cccs3)CC2)nc1 ZINC000301271077 336297920 /nfs/dbraw/zinc/29/79/20/336297920.db2.gz HDFOXZISSCNXTN-UHFFFAOYSA-N 0 0 314.410 3.614 10 0 DHAERN C[C@@H](Nc1ncnc2n[nH]cc21)c1cc2cc(Cl)ccc2o1 ZINC000301286273 336298780 /nfs/dbraw/zinc/29/87/80/336298780.db2.gz QWJRGKPUWUXDAP-MRVPVSSYSA-N 0 0 313.748 3.926 10 0 DHAERN O[C@@H](CNc1ccc2c(Cl)ccnc2c1F)C1CCCC1 ZINC000301290648 336299005 /nfs/dbraw/zinc/29/90/05/336299005.db2.gz OWXQZUCAVOSFPW-AWEZNQCLSA-N 0 0 308.784 3.990 10 0 DHAERN Brc1ccc(NCCOCCc2ccccc2)nc1 ZINC000301333375 336300164 /nfs/dbraw/zinc/30/01/64/336300164.db2.gz BFEGHPDGZDKRKX-UHFFFAOYSA-N 0 0 321.218 3.515 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)c2ncnc3sccc32)C12CCCC2 ZINC000301362122 336302594 /nfs/dbraw/zinc/30/25/94/336302594.db2.gz PBDVRQHIIFJLEJ-KGLIPLIRSA-N 0 0 317.458 3.865 10 0 DHAERN CCOC(=O)c1cnc2ccccc2c1N1C[C@H]2CC=CC[C@@H]2C1 ZINC000301401114 336304562 /nfs/dbraw/zinc/30/45/62/336304562.db2.gz BZCQGSCZNNWIPB-HUUCEWRRSA-N 0 0 322.408 3.814 10 0 DHAERN Cc1nc(-c2cccnc2)nc(N2C[C@@H]3CC=CC[C@H]3C2)c1C ZINC000301429872 336306227 /nfs/dbraw/zinc/30/62/27/336306227.db2.gz QCRWSNQXFXCOFN-IRXDYDNUSA-N 0 0 306.413 3.558 10 0 DHAERN Cc1ccc([C@H]2C[C@@H](C)CCN2c2ccc3nccnc3n2)o1 ZINC000301443622 336307220 /nfs/dbraw/zinc/30/72/20/336307220.db2.gz NGPDYWUBDWNWRZ-SWLSCSKDSA-N 0 0 308.385 3.904 10 0 DHAERN FC(F)(F)Cc1cccc(Nc2ccc3nccnc3n2)c1 ZINC000301479204 336309482 /nfs/dbraw/zinc/30/94/82/336309482.db2.gz VKKSVPYGYIRURM-UHFFFAOYSA-N 0 0 304.275 3.873 10 0 DHAERN C[C@@H](COc1ccc(F)cc1)Nc1c(F)c(F)nc(F)c1F ZINC000301615655 336318416 /nfs/dbraw/zinc/31/84/16/336318416.db2.gz VGNQGOYEDVSPOT-ZETCQYMHSA-N 0 0 318.245 3.657 10 0 DHAERN CC(C)(C)[C@H](O)CNc1ccc2cccc(Br)c2n1 ZINC000301620129 336318639 /nfs/dbraw/zinc/31/86/39/336318639.db2.gz XLSUKBNOUQAIDY-GFCCVEGCSA-N 0 0 323.234 3.816 10 0 DHAERN CCC[C@@H](C)[C@H]1CCCN1c1cc(-c2nc(C)no2)ccn1 ZINC000301683108 336323203 /nfs/dbraw/zinc/32/32/03/336323203.db2.gz GUNVLXXTUREUJX-IUODEOHRSA-N 0 0 300.406 3.845 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nc(-c3ccncc3)nc(C)c2C)C1 ZINC000301775870 336329057 /nfs/dbraw/zinc/32/90/57/336329057.db2.gz LGQDCWFYNOEFTM-CVEARBPZSA-N 0 0 312.417 3.525 10 0 DHAERN Cc1cc(N[C@H]2CCCCC[C@@H]2CO)ncc1Br ZINC000301820734 336332204 /nfs/dbraw/zinc/33/22/04/336332204.db2.gz BFDHIGPYBDRAFX-YPMHNXCESA-N 0 0 313.239 3.506 10 0 DHAERN CCc1nc2sccc2c(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)n1 ZINC000301836888 336333284 /nfs/dbraw/zinc/33/32/84/336333284.db2.gz MGFWJZLQGDYNSK-ZLKJLUDKSA-N 0 0 317.458 3.503 10 0 DHAERN CCc1nc2sccc2c(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)n1 ZINC000301836886 336333290 /nfs/dbraw/zinc/33/32/90/336333290.db2.gz MGFWJZLQGDYNSK-HONMWMINSA-N 0 0 317.458 3.503 10 0 DHAERN CC(C)(C)[C@H](O)CNc1cncc(SCc2ccccc2)n1 ZINC000301839893 336333346 /nfs/dbraw/zinc/33/33/46/336333346.db2.gz ZZEGZZSWZDOWKL-CQSZACIVSA-N 0 0 317.458 3.588 10 0 DHAERN CCc1nc2sccc2c(N[C@H](CC)c2noc(C)n2)n1 ZINC000301838782 336333402 /nfs/dbraw/zinc/33/34/02/336333402.db2.gz NQJBHPQQMCQGHE-SNVBAGLBSA-N 0 0 303.391 3.508 10 0 DHAERN CCCc1nnc(N2CC[C@@H](Oc3cccc(Cl)c3)C2)s1 ZINC000301852583 336334229 /nfs/dbraw/zinc/33/42/29/336334229.db2.gz XPJNYFZYNODLRK-CYBMUJFWSA-N 0 0 323.849 3.802 10 0 DHAERN CCCc1nnc(N2CC[C@H](Oc3cccc(Cl)c3)C2)s1 ZINC000301852584 336334331 /nfs/dbraw/zinc/33/43/31/336334331.db2.gz XPJNYFZYNODLRK-ZDUSSCGKSA-N 0 0 323.849 3.802 10 0 DHAERN CCC[C@H](CC(=O)OC)Nc1ncnc2c3ccccc3oc21 ZINC000301955805 336339800 /nfs/dbraw/zinc/33/98/00/336339800.db2.gz KYVFNYKSMGCFRD-LLVKDONJSA-N 0 0 313.357 3.520 10 0 DHAERN c1csc([C@H](Nc2nnc(-c3ccccn3)s2)C2CC2)n1 ZINC000302009266 336342946 /nfs/dbraw/zinc/34/29/46/336342946.db2.gz BSHLQTBKJCVPSW-LLVKDONJSA-N 0 0 315.427 3.620 10 0 DHAERN c1ccc(-c2nnc(N[C@H]3CCOc4ccccc43)s2)nc1 ZINC000302161695 336351653 /nfs/dbraw/zinc/35/16/53/336351653.db2.gz PPHAEEOYCZCCQD-LBPRGKRZSA-N 0 0 310.382 3.536 10 0 DHAERN COCCC(C)(C)CNc1nn2cc(C(C)(C)C)nc2s1 ZINC000302172932 336352285 /nfs/dbraw/zinc/35/22/85/336352285.db2.gz VPALOEVNOLIWGR-UHFFFAOYSA-N 0 0 310.467 3.563 10 0 DHAERN CC1(CCNc2nc(-c3ccc(F)cc3)cs2)OCCO1 ZINC000302174943 336352355 /nfs/dbraw/zinc/35/23/55/336352355.db2.gz WPLFMDWONSXTRT-UHFFFAOYSA-N 0 0 308.378 3.514 10 0 DHAERN Cc1nc(CN(C)c2ccnc3cc(C(F)(F)F)ccc32)no1 ZINC000302212675 336354274 /nfs/dbraw/zinc/35/42/74/336354274.db2.gz YYQHCQYPLJIMIW-UHFFFAOYSA-N 0 0 322.290 3.581 10 0 DHAERN Cc1cncc(N[C@H]2C[C@H]2c2ccccc2Br)n1 ZINC000302222626 336354712 /nfs/dbraw/zinc/35/47/12/336354712.db2.gz NBNQCWMKEZTBAI-AAEUAGOBSA-N 0 0 304.191 3.516 10 0 DHAERN C[C@H]1C[C@H]1Nc1nn2cc(-c3ccc(Cl)cc3)nc2s1 ZINC000302510246 336360450 /nfs/dbraw/zinc/36/04/50/336360450.db2.gz NWGRINLGQHWJMB-GZMMTYOYSA-N 0 0 304.806 3.932 10 0 DHAERN Cc1cc2c(ncnc2N2CC3(CCCC3)OC(C)(C)C2)s1 ZINC000302515862 336360535 /nfs/dbraw/zinc/36/05/35/336360535.db2.gz AAWQWRSPLCGESK-UHFFFAOYSA-N 0 0 317.458 3.928 10 0 DHAERN C[C@@H]1CN(c2nc(C(C)(C)C)ns2)[C@@H](c2ccccc2)CO1 ZINC000302542591 336361186 /nfs/dbraw/zinc/36/11/86/336361186.db2.gz TXRMCECZUIVMRE-TZMCWYRMSA-N 0 0 317.458 3.802 10 0 DHAERN CO[C@@H]1CN(c2ccc3c(Cl)ccnc3c2F)CC[C@@H]1C ZINC000302588600 336362019 /nfs/dbraw/zinc/36/20/19/336362019.db2.gz VWJVWTITZIMMMJ-IINYFYTJSA-N 0 0 308.784 3.889 10 0 DHAERN Clc1cncnc1N[C@H]1CCc2cc(Br)ccc21 ZINC000302642717 336363248 /nfs/dbraw/zinc/36/32/48/336363248.db2.gz LOZWKRFIQVAVSU-LBPRGKRZSA-N 0 0 324.609 3.992 10 0 DHAERN CNc1c(Cl)ncnc1N[C@@H](C)c1csc(C(C)C)n1 ZINC000302734505 336367087 /nfs/dbraw/zinc/36/70/87/336367087.db2.gz OFWWGJDMBFSPFJ-QMMMGPOBSA-N 0 0 311.842 3.925 10 0 DHAERN CCc1nnc(N[C@@H](C)c2csc(C(C)C)n2)nc1CC ZINC000302735878 336367201 /nfs/dbraw/zinc/36/72/01/336367201.db2.gz OSSJEOPQTGHWSV-JTQLQIEISA-N 0 0 305.451 3.749 10 0 DHAERN Cc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)nc2ccccc12 ZINC000113894596 336401006 /nfs/dbraw/zinc/40/10/06/336401006.db2.gz ZQVDRGMTIHYIOO-GOSISDBHSA-N 0 0 320.396 3.634 10 0 DHAERN CC[C@H](CC1CCCC1)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000114331073 336553952 /nfs/dbraw/zinc/55/39/52/336553952.db2.gz MXNOKHZUERLYRH-MSOLQXFVSA-N 0 0 317.477 3.962 10 0 DHAERN O=C(c1csc(-c2ccoc2)n1)N1CCC[C@@H]1c1ccco1 ZINC000116047127 336830631 /nfs/dbraw/zinc/83/06/31/336830631.db2.gz AFPGGUIPPVPZMZ-CYBMUJFWSA-N 0 0 314.366 3.973 10 0 DHAERN O=C(NCc1cc(F)ccc1F)N1CCC[C@H]1c1ccco1 ZINC000116430090 336840282 /nfs/dbraw/zinc/84/02/82/336840282.db2.gz UHGVXMLDENGZKB-AWEZNQCLSA-N 0 0 306.312 3.605 10 0 DHAERN O=C(N[C@@H]1CCc2cc(F)ccc21)N1CCC[C@@H]1c1ccco1 ZINC000116424072 336840307 /nfs/dbraw/zinc/84/03/07/336840307.db2.gz MKUWROMYIDZTJV-HZPDHXFCSA-N 0 0 314.360 3.953 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2cccc2)cc1 ZINC000023647087 336974327 /nfs/dbraw/zinc/97/43/27/336974327.db2.gz WOMTXDBQDSBWGC-SFHVURJKSA-N 0 0 318.376 3.731 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cc(F)c(F)c(F)c1 ZINC000122782487 337023870 /nfs/dbraw/zinc/02/38/70/337023870.db2.gz DTHJLXAQWJLUHZ-HNNXBMFYSA-N 0 0 323.362 3.791 10 0 DHAERN CCn1c(C)cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1C ZINC000043826554 337077926 /nfs/dbraw/zinc/07/79/26/337077926.db2.gz JYYHSMTUPGRVFR-STQMWFEESA-N 0 0 316.367 3.976 10 0 DHAERN c1csc([C@H]2CCCCN2Cc2cn3ccsc3n2)n1 ZINC000171081335 337086632 /nfs/dbraw/zinc/08/66/32/337086632.db2.gz BKDGMHDXUBOGSR-GFCCVEGCSA-N 0 0 304.444 3.580 10 0 DHAERN C[C@H]1CN(Cc2csc(Cc3ccccc3)n2)CCS1 ZINC000171691027 337088610 /nfs/dbraw/zinc/08/86/10/337088610.db2.gz WGBSRMDFPZSYPS-ZDUSSCGKSA-N 0 0 304.484 3.671 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2cnc(C)nc2C(C)C)cc1 ZINC000172097416 337089836 /nfs/dbraw/zinc/08/98/36/337089836.db2.gz CDPGEWXKWPUABO-ZDUSSCGKSA-N 0 0 311.429 3.962 10 0 DHAERN O=C(NCc1cccc2cccnc21)N1CCC[C@@H]1c1ccco1 ZINC000172118982 337089948 /nfs/dbraw/zinc/08/99/48/337089948.db2.gz MMRXMVTZTZVYGU-MRXNPFEDSA-N 0 0 321.380 3.875 10 0 DHAERN CO[C@H](CNC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000172117462 337089961 /nfs/dbraw/zinc/08/99/61/337089961.db2.gz QYADWSBKVGDFNL-DOTOQJQBSA-N 0 0 314.385 3.514 10 0 DHAERN O=C(Nc1ccc2c(c1)CCCO2)N1CCC[C@H]1c1ccco1 ZINC000172152734 337090099 /nfs/dbraw/zinc/09/00/99/337090099.db2.gz WHOMRKXQQGZKMN-HNNXBMFYSA-N 0 0 312.369 3.974 10 0 DHAERN CCOc1ncc(C(=O)N[C@@H](C)c2cccs2)cc1Cl ZINC000171986422 337090654 /nfs/dbraw/zinc/09/06/54/337090654.db2.gz PKCMCIFZGAAOHL-VIFPVBQESA-N 0 0 310.806 3.686 10 0 DHAERN CCO[C@H]1C[C@H](N(C)C(=O)NCc2ccsc2)C12CCCC2 ZINC000172601468 337130220 /nfs/dbraw/zinc/13/02/20/337130220.db2.gz DYQQUUROIIJNJQ-GJZGRUSLSA-N 0 0 322.474 3.627 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 ZINC000173069248 337131858 /nfs/dbraw/zinc/13/18/58/337131858.db2.gz UOJAFRBKXOUVSE-ZNFPLGDCSA-N 0 0 312.438 3.871 10 0 DHAERN C[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1cccs1 ZINC000173094750 337132072 /nfs/dbraw/zinc/13/20/72/337132072.db2.gz FWTSYMQXAJDIRB-ABAIWWIYSA-N 0 0 303.452 3.956 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1nccc2ccccc21 ZINC000172964678 337132647 /nfs/dbraw/zinc/13/26/47/337132647.db2.gz AOHBIMDOGLOAGW-OAHLLOKOSA-N 0 0 320.392 3.570 10 0 DHAERN CCCCCC[C@@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000172975386 337132687 /nfs/dbraw/zinc/13/26/87/337132687.db2.gz HOZPPEDVCZGBQO-GDBMZVCRSA-N 0 0 321.465 3.766 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC2(O)CCCCC2)o1 ZINC000173189249 337133537 /nfs/dbraw/zinc/13/35/37/337133537.db2.gz XRQHOMIBMOKACW-HNNXBMFYSA-N 0 0 305.418 3.727 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cc(C)oc3C)C2)n1 ZINC000173410391 337135164 /nfs/dbraw/zinc/13/51/64/337135164.db2.gz QMBXOENOSVKDNN-ZDUSSCGKSA-N 0 0 304.415 3.681 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)n1 ZINC000173414874 337135234 /nfs/dbraw/zinc/13/52/34/337135234.db2.gz ZDHPHTOMMHIHGH-LBPRGKRZSA-N 0 0 322.380 3.750 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)n1 ZINC000173428471 337135264 /nfs/dbraw/zinc/13/52/64/337135264.db2.gz TXYFJHWNPNAMKL-SNVBAGLBSA-N 0 0 310.806 3.718 10 0 DHAERN CCN(CC)C(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173461310 337135427 /nfs/dbraw/zinc/13/54/27/337135427.db2.gz WGTNKOJSCLVPBD-ZDUSSCGKSA-N 0 0 309.479 3.908 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)C2CCCCCC2)no1 ZINC000173457840 337135448 /nfs/dbraw/zinc/13/54/48/337135448.db2.gz IACIPZKDQBMSFB-AWEZNQCLSA-N 0 0 305.422 3.827 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCc2ccncc2)o1 ZINC000173476321 337135477 /nfs/dbraw/zinc/13/54/77/337135477.db2.gz SLAMUAYRAGPCQU-INIZCTEOSA-N 0 0 313.401 3.674 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCc3ccsc3)C2)n1 ZINC000173482311 337135621 /nfs/dbraw/zinc/13/56/21/337135621.db2.gz DKRDMWXBGWBSLO-CYBMUJFWSA-N 0 0 321.471 3.602 10 0 DHAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@H]1c1ccco1)C2 ZINC000173509274 337136158 /nfs/dbraw/zinc/13/61/58/337136158.db2.gz KGULYLFWVHGZIK-MAUKXSAKSA-N 0 0 311.381 3.564 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(Cl)nc3)C2)n1 ZINC000173585028 337136648 /nfs/dbraw/zinc/13/66/48/337136648.db2.gz VUXFAYWRYZZSKL-GFCCVEGCSA-N 0 0 321.833 3.520 10 0 DHAERN CCCn1nccc1NC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000173648162 337137137 /nfs/dbraw/zinc/13/71/37/337137137.db2.gz JVFQMPXRAGHUAR-CQSZACIVSA-N 0 0 316.405 3.954 10 0 DHAERN C[C@H](NC(=O)CC1=CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173921006 337137590 /nfs/dbraw/zinc/13/75/90/337137590.db2.gz BOIQNRAYASRHAC-HNNXBMFYSA-N 0 0 309.413 3.940 10 0 DHAERN CCOCCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173967756 337138143 /nfs/dbraw/zinc/13/81/43/337138143.db2.gz FRUVSBSETRYBLQ-AWEZNQCLSA-N 0 0 324.490 3.789 10 0 DHAERN Cn1ccc2ccc(NC(=O)N[C@@H]3CCOc4ccccc43)cc21 ZINC000173803495 337138293 /nfs/dbraw/zinc/13/82/93/337138293.db2.gz LJWUDZYHWSWLGZ-MRXNPFEDSA-N 0 0 321.380 3.824 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000175384399 337145683 /nfs/dbraw/zinc/14/56/83/337145683.db2.gz WAZKLSIBDYDSGK-INIZCTEOSA-N 0 0 305.466 3.962 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000175432101 337147284 /nfs/dbraw/zinc/14/72/84/337147284.db2.gz VTIGSSMSKWKTIH-UHFFFAOYSA-N 0 0 305.466 3.728 10 0 DHAERN O=C(c1cccc2[nH]ccc21)N1CCCC[C@@H]1c1nccs1 ZINC000176217308 337149800 /nfs/dbraw/zinc/14/98/00/337149800.db2.gz ZIHQXMZKWUTOPM-OAHLLOKOSA-N 0 0 311.410 3.992 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000175998830 337150123 /nfs/dbraw/zinc/15/01/23/337150123.db2.gz IYKVXDRTTPIIIV-JKSUJKDBSA-N 0 0 306.454 3.626 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)o1 ZINC000176063953 337150321 /nfs/dbraw/zinc/15/03/21/337150321.db2.gz PVGNVCVIXRPSMN-ZDUSSCGKSA-N 0 0 322.364 3.638 10 0 DHAERN C[C@H]1CN(C(=O)c2cc(Cl)ccc2OC(F)F)CCS1 ZINC000176303124 337150778 /nfs/dbraw/zinc/15/07/78/337150778.db2.gz UJDHLEHHJIWICQ-QMMMGPOBSA-N 0 0 321.776 3.519 10 0 DHAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3[C@H](C)COC[C@@H]3C)c2c1 ZINC000176889555 337153494 /nfs/dbraw/zinc/15/34/94/337153494.db2.gz QNWKTLCKJFWTDO-OKILXGFUSA-N 0 0 324.424 3.670 10 0 DHAERN Cc1n[nH]cc1C(=O)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000177956654 337159372 /nfs/dbraw/zinc/15/93/72/337159372.db2.gz WBESZQYPWDABIX-CABZTGNLSA-N 0 0 324.211 3.558 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)C(=O)Nc2ccsc2)cc1 ZINC000178156331 337162776 /nfs/dbraw/zinc/16/27/76/337162776.db2.gz SNPXKGADNRVZAO-GFCCVEGCSA-N 0 0 316.426 3.687 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2ccc3c(c2)CCCC3)n1C ZINC000179031110 337166875 /nfs/dbraw/zinc/16/68/75/337166875.db2.gz OKUOHHGBTHRQBZ-CQSZACIVSA-N 0 0 312.461 3.668 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000178885953 337167306 /nfs/dbraw/zinc/16/73/06/337167306.db2.gz ZSBUGFPQJCPANQ-CVEARBPZSA-N 0 0 317.477 3.917 10 0 DHAERN O=C(/C=C/c1cccc(O)c1)N1CCCC[C@H]1c1nccs1 ZINC000180085501 337173525 /nfs/dbraw/zinc/17/35/25/337173525.db2.gz LGQTXNYNGHZUMW-KIUWMYQTSA-N 0 0 314.410 3.616 10 0 DHAERN COCCN(Cc1cccnc1)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180332159 337175917 /nfs/dbraw/zinc/17/59/17/337175917.db2.gz OGJTUJMWLJBWFE-WBVHZDCISA-N 0 0 318.461 3.519 10 0 DHAERN Cc1c(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cnn1C(C)C ZINC000181106636 337179819 /nfs/dbraw/zinc/17/98/19/337179819.db2.gz OALAHMFUGNISEY-FZKQIMNGSA-N 0 0 311.429 3.744 10 0 DHAERN Cc1ccc(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1O ZINC000181200569 337180245 /nfs/dbraw/zinc/18/02/45/337180245.db2.gz LSVZNYWLYPZBBK-HNNXBMFYSA-N 0 0 311.381 3.733 10 0 DHAERN CC(=O)Nc1ccc(C(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cc1 ZINC000181241730 337180562 /nfs/dbraw/zinc/18/05/62/337180562.db2.gz BDXIGADMMMYTNF-BFUOFWGJSA-N 0 0 322.408 3.617 10 0 DHAERN Cn1ncc2c1CCC[C@H]2N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000181255371 337180791 /nfs/dbraw/zinc/18/07/91/337180791.db2.gz ZVJGGKZBDJQSFV-YPMHNXCESA-N 0 0 303.372 3.754 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000181921572 337185300 /nfs/dbraw/zinc/18/53/00/337185300.db2.gz KRLDJAJUKPYIKP-KRWDZBQOSA-N 0 0 322.424 3.708 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2csnc2C)o1 ZINC000182064331 337186116 /nfs/dbraw/zinc/18/61/16/337186116.db2.gz OIMFFAWKGLPQJB-CQSZACIVSA-N 0 0 304.415 3.974 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)CCCOC(C)C)C2)n1 ZINC000182431035 337186406 /nfs/dbraw/zinc/18/64/06/337186406.db2.gz WOSGRBZUHITOMZ-CQSZACIVSA-N 0 0 324.490 3.617 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC[C@H](c3cc[nH]n3)C2)CC(C)(C)C1 ZINC000183455084 337191720 /nfs/dbraw/zinc/19/17/20/337191720.db2.gz QPGKMURTDZRWJJ-ILXRZTDVSA-N 0 0 303.450 3.578 10 0 DHAERN CO[C@H](C)CCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000183680907 337192964 /nfs/dbraw/zinc/19/29/64/337192964.db2.gz MMKKPTCYUPYUGH-ZIAGYGMSSA-N 0 0 324.490 3.788 10 0 DHAERN CO[C@H](C)CCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000183680924 337192986 /nfs/dbraw/zinc/19/29/86/337192986.db2.gz MMKKPTCYUPYUGH-KGLIPLIRSA-N 0 0 324.490 3.788 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)o1 ZINC000183934199 337195594 /nfs/dbraw/zinc/19/55/94/337195594.db2.gz FBAZGBMRCSWCEU-CQSZACIVSA-N 0 0 309.369 3.573 10 0 DHAERN O=C(Nc1ccncc1F)N[C@H]1CCCc2cc(F)ccc21 ZINC000184239924 337197535 /nfs/dbraw/zinc/19/75/35/337197535.db2.gz KOAFIICQVLZVCT-AWEZNQCLSA-N 0 0 303.312 3.559 10 0 DHAERN O=C(Nc1ccncc1F)N[C@@H]1CCCc2cc(F)ccc21 ZINC000184239939 337197544 /nfs/dbraw/zinc/19/75/44/337197544.db2.gz KOAFIICQVLZVCT-CQSZACIVSA-N 0 0 303.312 3.559 10 0 DHAERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCC2(CC2)C1 ZINC000185509628 337248673 /nfs/dbraw/zinc/24/86/73/337248673.db2.gz JBBXPAROMQKIEB-NEPJUHHUSA-N 0 0 304.356 3.693 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cccc(-c3cc[nH]n3)c2)o1 ZINC000185978872 337253605 /nfs/dbraw/zinc/25/36/05/337253605.db2.gz ISHMZGHPMDTGSJ-LBPRGKRZSA-N 0 0 310.357 3.861 10 0 DHAERN CC(C)c1nc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cs1 ZINC000186364419 337256709 /nfs/dbraw/zinc/25/67/09/337256709.db2.gz UYLWEGHTQRINHD-VXGBXAGGSA-N 0 0 319.478 3.606 10 0 DHAERN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000186563366 337257619 /nfs/dbraw/zinc/25/76/19/337257619.db2.gz FWNBQWVILNBECV-UCLAIMLFSA-N 0 0 311.429 3.732 10 0 DHAERN CCCc1cccc(CN2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000186927457 337260453 /nfs/dbraw/zinc/26/04/53/337260453.db2.gz PFSULURTFHIDCF-QGZVFWFLSA-N 0 0 316.470 3.978 10 0 DHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccnc2ccncc21 ZINC000187013612 337261151 /nfs/dbraw/zinc/26/11/51/337261151.db2.gz ULTDCFUEOSVELP-QGZVFWFLSA-N 0 0 323.783 3.701 10 0 DHAERN CC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cccc(F)c1 ZINC000188089230 337270438 /nfs/dbraw/zinc/27/04/38/337270438.db2.gz PNBJEHFIFHPAKI-SWLSCSKDSA-N 0 0 302.397 3.555 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2cc(C)cc(Br)c2)o1 ZINC000231793773 337278605 /nfs/dbraw/zinc/27/86/05/337278605.db2.gz YBWQMVUJGNBNBX-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN O=C(NCCC1=CCCC1)N[C@H]1CCCc2c(O)cccc21 ZINC000189660978 337281503 /nfs/dbraw/zinc/28/15/03/337281503.db2.gz WMXPIJMNCFIQLI-INIZCTEOSA-N 0 0 300.402 3.569 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2Br)O1 ZINC000190093467 337284536 /nfs/dbraw/zinc/28/45/36/337284536.db2.gz HRCYYLVWSKZICJ-XVKPBYJWSA-N 0 0 318.598 3.609 10 0 DHAERN COc1cccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)c1F ZINC000192947654 337308696 /nfs/dbraw/zinc/30/86/96/337308696.db2.gz PMASTGKYORBHIZ-CYBMUJFWSA-N 0 0 319.380 3.678 10 0 DHAERN O=C(NCc1cc2ccccc2o1)N[C@@H]1CCOc2ccccc21 ZINC000193025333 337308877 /nfs/dbraw/zinc/30/88/77/337308877.db2.gz ZYGMDCOWYOQIOC-MRXNPFEDSA-N 0 0 322.364 3.756 10 0 DHAERN COc1cc2cc(C)nc(C(=O)c3ccccc3)c2cc1OC ZINC000584605242 337371478 /nfs/dbraw/zinc/37/14/78/337371478.db2.gz GQYGEQFWYOUJIF-UHFFFAOYSA-N 0 0 307.349 3.791 10 0 DHAERN O=C(c1ccnc(F)c1)N1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000584606302 337371681 /nfs/dbraw/zinc/37/16/81/337371681.db2.gz RWAQZNHMALZNGA-AWEZNQCLSA-N 0 0 318.779 3.894 10 0 DHAERN Clc1ccccc1-c1c[nH]c2nccc(N3CCOCC3)c12 ZINC000584620183 337372081 /nfs/dbraw/zinc/37/20/81/337372081.db2.gz QTKXJBCAIFNSRK-UHFFFAOYSA-N 0 0 313.788 3.720 10 0 DHAERN O=C1C[C@H](C/C(Br)=C(/Cl)c2ccccc2)O1 ZINC000584611118 337372200 /nfs/dbraw/zinc/37/22/00/337372200.db2.gz IWIPJXMEMWEKIA-ZJVCQKQLSA-N 0 0 301.567 3.695 10 0 DHAERN CCOC(=O)C(F)(F)/C=C(\Br)c1ccccc1 ZINC000584611476 337372210 /nfs/dbraw/zinc/37/22/10/337372210.db2.gz IPSQBTBRLSXDGD-NTMALXAHSA-N 0 0 305.118 3.621 10 0 DHAERN COC(=O)c1c(C)c2cc(Cl)cc(Br)c2n1C ZINC000584618382 337373199 /nfs/dbraw/zinc/37/31/99/337373199.db2.gz HGBMMYQZBPZTAT-UHFFFAOYSA-N 0 0 316.582 3.689 10 0 DHAERN Cc1cc(Br)cc(Cl)c1OCCCCN1CC1 ZINC000584591626 337373509 /nfs/dbraw/zinc/37/35/09/337373509.db2.gz BBBTVTVJMNDTPQ-UHFFFAOYSA-N 0 0 318.642 3.886 10 0 DHAERN CC(C)CCCNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584631869 337377024 /nfs/dbraw/zinc/37/70/24/337377024.db2.gz DMDQWPCILGNVDT-UHFFFAOYSA-N 0 0 316.376 3.759 10 0 DHAERN CCCc1[nH]c(=O)c(C(=O)N[C@H](C)c2ccccc2)cc1CC ZINC000584631937 337377060 /nfs/dbraw/zinc/37/70/60/337377060.db2.gz FLUZIBBKWCGAKE-CYBMUJFWSA-N 0 0 312.413 3.793 10 0 DHAERN COc1ccccc1N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000584655869 337377874 /nfs/dbraw/zinc/37/78/74/337377874.db2.gz ZGHFDMKVHSYKQZ-AWEZNQCLSA-N 0 0 320.433 3.897 10 0 DHAERN CCOC(=O)c1c(=O)c2ccccc2oc1-c1ccc(F)cc1 ZINC000584661092 337378286 /nfs/dbraw/zinc/37/82/86/337378286.db2.gz NIKHOHFEAPQUJB-UHFFFAOYSA-N 0 0 312.296 3.776 10 0 DHAERN O[C@@H](c1ccccn1)c1cc(C(F)(F)F)nc2ccc(F)cc21 ZINC000584637419 337379449 /nfs/dbraw/zinc/37/94/49/337379449.db2.gz MGEDNTJMPVUVQE-OAHLLOKOSA-N 0 0 322.261 3.869 10 0 DHAERN CC(C)c1ccc(-c2ccc(I)cc2)nn1 ZINC000584648781 337380391 /nfs/dbraw/zinc/38/03/91/337380391.db2.gz OQYIRVMGXWRKCI-UHFFFAOYSA-N 0 0 324.165 3.872 10 0 DHAERN COc1ccc(CNc2cncc(Br)c2)cc1F ZINC000301369352 337386289 /nfs/dbraw/zinc/38/62/89/337386289.db2.gz OXNXVTPLLSTCNA-UHFFFAOYSA-N 0 0 311.154 3.604 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(C)ccc1C ZINC000105846673 337386840 /nfs/dbraw/zinc/38/68/40/337386840.db2.gz LEGPMDBMKZBFMR-KRWDZBQOSA-N 0 0 311.429 3.631 10 0 DHAERN CCc1nccn1[C@H]1CCCN(Cc2csc(C(C)C)n2)C1 ZINC000106213297 337387072 /nfs/dbraw/zinc/38/70/72/337387072.db2.gz RWPNKKKZJLOSDV-HNNXBMFYSA-N 0 0 318.490 3.863 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1csc(C(C)C)n1 ZINC000106207109 337387170 /nfs/dbraw/zinc/38/71/70/337387170.db2.gz WAKMYRXYGWKDEN-OAHLLOKOSA-N 0 0 318.490 3.954 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)CCC3CCCCC3)C2)c1 ZINC000109686476 337388536 /nfs/dbraw/zinc/38/85/36/337388536.db2.gz LMMNGNWJFIGQHE-KRWDZBQOSA-N 0 0 303.450 3.716 10 0 DHAERN COc1ccc(SCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116040936 337392242 /nfs/dbraw/zinc/39/22/42/337392242.db2.gz SUSHWOGTLWHSJM-HNNXBMFYSA-N 0 0 317.410 3.744 10 0 DHAERN O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H]1c1ccco1 ZINC000116045698 337392246 /nfs/dbraw/zinc/39/22/46/337392246.db2.gz WXSRWBDIPHLAQK-INIZCTEOSA-N 0 0 312.344 3.806 10 0 DHAERN CCSc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccn1 ZINC000116041554 337392273 /nfs/dbraw/zinc/39/22/73/337392273.db2.gz WZEFHLWIOGMJHA-ZDUSSCGKSA-N 0 0 302.399 3.764 10 0 DHAERN CSc1cccc(NC(=O)CN2CCC[C@H]2c2ccco2)c1 ZINC000116288778 337392584 /nfs/dbraw/zinc/39/25/84/337392584.db2.gz MVQOWZAHNPBMLI-HNNXBMFYSA-N 0 0 316.426 3.777 10 0 DHAERN O=C(NCCc1c(F)cccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116420099 337392657 /nfs/dbraw/zinc/39/26/57/337392657.db2.gz VUWNFZCNRZZVNF-OAHLLOKOSA-N 0 0 320.339 3.647 10 0 DHAERN Cc1ccc(CCC(=O)N2CCC(Cc3ccccn3)CC2)cc1 ZINC000039307106 337396644 /nfs/dbraw/zinc/39/66/44/337396644.db2.gz OPCRIODJUUNPHE-UHFFFAOYSA-N 0 0 322.452 3.804 10 0 DHAERN CC1(C)CO[C@H](c2ccccc2)CN1C(=O)c1ccc(F)cc1 ZINC000041174462 337400736 /nfs/dbraw/zinc/40/07/36/337400736.db2.gz BSRNIWDNJZZGTF-KRWDZBQOSA-N 0 0 313.372 3.818 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2nnc(CC(C)C)s2)o1 ZINC000043374612 337410876 /nfs/dbraw/zinc/41/08/76/337410876.db2.gz KIIIGNBXTHIIKI-SNVBAGLBSA-N 0 0 308.407 3.521 10 0 DHAERN O=C(c1csc2ccccc12)N1CCC(c2cc[nH]n2)CC1 ZINC000125353974 337411106 /nfs/dbraw/zinc/41/11/06/337411106.db2.gz YHSBTIWLVWCVKV-UHFFFAOYSA-N 0 0 311.410 3.644 10 0 DHAERN O=C(c1ccc(Cl)cc1Cl)N1CCC(c2cc[nH]n2)CC1 ZINC000125388938 337411391 /nfs/dbraw/zinc/41/13/91/337411391.db2.gz GONLKPCWAANKQL-UHFFFAOYSA-N 0 0 324.211 3.736 10 0 DHAERN O=C(CC/C=C/c1ccccc1)N1CCC(Cn2cccn2)CC1 ZINC000125862432 337414360 /nfs/dbraw/zinc/41/43/60/337414360.db2.gz FLDFWOLAPILMRA-RUDMXATFSA-N 0 0 323.440 3.615 10 0 DHAERN C[C@@H](CC(=O)N1CCC(Cn2cccn2)CC1)C1CCCCC1 ZINC000125969062 337414793 /nfs/dbraw/zinc/41/47/93/337414793.db2.gz UONSAKCNWHOCOI-INIZCTEOSA-N 0 0 317.477 3.728 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cnn(C(C)(C)C)c2)o1 ZINC000129225385 337428776 /nfs/dbraw/zinc/42/87/76/337428776.db2.gz DTFILBOVOPZVFZ-HNNXBMFYSA-N 0 0 315.417 3.907 10 0 DHAERN Cc1nc(CC(=O)N[C@@H](C)c2ccc(Cl)s2)c(C)s1 ZINC000129650918 337430260 /nfs/dbraw/zinc/43/02/60/337430260.db2.gz REEVCDBKCCZKSP-ZETCQYMHSA-N 0 0 314.863 3.895 10 0 DHAERN Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC[C@H](C)O3)cn2)cc1 ZINC000132076041 337439929 /nfs/dbraw/zinc/43/99/29/337439929.db2.gz BIBGXTWJCUSSNU-XJKSGUPXSA-N 0 0 312.369 3.688 10 0 DHAERN CC(C)[C@H](O)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000153868837 337446992 /nfs/dbraw/zinc/44/69/92/337446992.db2.gz FQZHVUYSVCSTQR-LLVKDONJSA-N 0 0 309.715 3.704 10 0 DHAERN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000134100748 337447714 /nfs/dbraw/zinc/44/77/14/337447714.db2.gz DWKWYRGHPSIQKL-IKGGRYGDSA-N 0 0 315.461 3.906 10 0 DHAERN CCCCCC[C@H](C)CC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000135240278 337451057 /nfs/dbraw/zinc/45/10/57/337451057.db2.gz INYXNPMKVSCSMV-GJZGRUSLSA-N 0 0 320.481 3.788 10 0 DHAERN O=C(c1cccc2ccccc21)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135695553 337452739 /nfs/dbraw/zinc/45/27/39/337452739.db2.gz HFXMAZLEXXWKIC-QGZVFWFLSA-N 0 0 318.376 3.528 10 0 DHAERN O=C(Nc1cc(Cl)ccc1F)N[C@H]1COc2ccccc21 ZINC000058609218 337458581 /nfs/dbraw/zinc/45/85/81/337458581.db2.gz MTHSUZRFFQYYDM-ZDUSSCGKSA-N 0 0 306.724 3.734 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000194243810 337462017 /nfs/dbraw/zinc/46/20/17/337462017.db2.gz JXMQIXRHLCJJLB-CVEARBPZSA-N 0 0 317.477 3.825 10 0 DHAERN O=C(Nc1ccccc1OC(F)F)N[C@@H]1COc2ccccc21 ZINC000194718380 337463337 /nfs/dbraw/zinc/46/33/37/337463337.db2.gz UNEIXVZVAQGWJI-GFCCVEGCSA-N 0 0 320.295 3.543 10 0 DHAERN COc1c(C)ccc(NC(=O)N[C@H]2COc3ccccc32)c1C ZINC000194730695 337463527 /nfs/dbraw/zinc/46/35/27/337463527.db2.gz FBBRGPOTCXWAMH-HNNXBMFYSA-N 0 0 312.369 3.567 10 0 DHAERN O=C(/C=C/c1nc2ccccc2s1)N[C@H]1COc2ccccc21 ZINC000194884807 337463942 /nfs/dbraw/zinc/46/39/42/337463942.db2.gz SZUKVXSYTGGZRI-HBWSCVEGSA-N 0 0 322.389 3.559 10 0 DHAERN CCCCc1nc(CN2CCC(c3ccnn3C)CC2)cs1 ZINC000195503987 337467514 /nfs/dbraw/zinc/46/75/14/337467514.db2.gz TUIZKBBWSDBHAG-UHFFFAOYSA-N 0 0 318.490 3.599 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000245862984 337495711 /nfs/dbraw/zinc/49/57/11/337495711.db2.gz DRJUSKOBXIGEME-CUSZFKRNSA-N 0 0 315.461 3.690 10 0 DHAERN Cc1ccc(OCc2cccc(C(=O)N[C@@H](C)C(C)C)c2)cn1 ZINC000074397912 337551896 /nfs/dbraw/zinc/55/18/96/337551896.db2.gz PHIOPFMTFKFMNF-HNNXBMFYSA-N 0 0 312.413 3.743 10 0 DHAERN C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000246614677 337554064 /nfs/dbraw/zinc/55/40/64/337554064.db2.gz VCCPESWDTNSKTA-NFAWXSAZSA-N 0 0 302.418 3.871 10 0 DHAERN C[S@](=O)Cc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000246738047 337554777 /nfs/dbraw/zinc/55/47/77/337554777.db2.gz FECOUUCEBUTWMH-JKSBSHDWSA-N 0 0 319.470 3.720 10 0 DHAERN Cc1cc(CN(C)Cc2ncc(-c3ccccc3Cl)o2)no1 ZINC000075624663 337556985 /nfs/dbraw/zinc/55/69/85/337556985.db2.gz KYBFHCZWWWYZIZ-UHFFFAOYSA-N 0 0 317.776 3.923 10 0 DHAERN C[C@@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1nnc2n1CCCC2 ZINC000247220163 337558457 /nfs/dbraw/zinc/55/84/57/337558457.db2.gz WJGQUWROQACUHF-CKEIUWERSA-N 0 0 310.445 3.904 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC[C@H]2CC[C@@H](C)O2)o1 ZINC000247465008 337559778 /nfs/dbraw/zinc/55/97/78/337559778.db2.gz REWJCFZNIKREND-BMFZPTHFSA-N 0 0 305.418 3.989 10 0 DHAERN Cc1noc(C)c1[C@H](C)CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248568591 337564754 /nfs/dbraw/zinc/56/47/54/337564754.db2.gz NWKJAVLCZPKLFF-LALPHHSUSA-N 0 0 306.450 3.974 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@H](C)C[C@H]2c2cccnc2)o1 ZINC000248620130 337566225 /nfs/dbraw/zinc/56/62/25/337566225.db2.gz ZYXUPGBXJDDARZ-INWMFGNUSA-N 0 0 313.401 3.837 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2C[C@@H](C)C[C@H]2c2cccnc2)o1 ZINC000248620136 337566259 /nfs/dbraw/zinc/56/62/59/337566259.db2.gz ZYXUPGBXJDDARZ-NOLJZWGESA-N 0 0 313.401 3.837 10 0 DHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1[C@@H](C)COC[C@@H]1C ZINC000076365470 337568708 /nfs/dbraw/zinc/56/87/08/337568708.db2.gz ARNSWHLHROYGLB-UWVGGRQHSA-N 0 0 307.777 3.644 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC([C@H]3CCCO3)CC2)CC(C)(C)C1 ZINC000249222223 337570063 /nfs/dbraw/zinc/57/00/63/337570063.db2.gz UMKMPVAYHWRGMJ-HYVNUMGLSA-N 0 0 307.478 3.866 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000077367484 337579121 /nfs/dbraw/zinc/57/91/21/337579121.db2.gz XDNCINXQEQXURK-HZPDHXFCSA-N 0 0 324.424 3.548 10 0 DHAERN CCS[C@H]1CC[C@H](Nc2ccc(Br)cn2)C1 ZINC000078586840 337602784 /nfs/dbraw/zinc/60/27/84/337602784.db2.gz PDAMOFCUMREBSP-QWRGUYRKSA-N 0 0 301.253 3.930 10 0 DHAERN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCc2ccccc21 ZINC000263438898 337629018 /nfs/dbraw/zinc/62/90/18/337629018.db2.gz VQEUDQVOJUBWFT-RDTXWAMCSA-N 0 0 309.409 3.983 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000080060334 337649664 /nfs/dbraw/zinc/64/96/64/337649664.db2.gz ZCZQICFEERMWFH-JKSUJKDBSA-N 0 0 315.413 3.557 10 0 DHAERN CCCCCC[C@@](C)(CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000081579453 337725922 /nfs/dbraw/zinc/72/59/22/337725922.db2.gz GNTZQIFUXXRTHG-MAUKXSAKSA-N 0 0 320.481 3.924 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)NC[C@@H](Cc2ccccc2)c2ccccc2)O1 ZINC000119574488 337861985 /nfs/dbraw/zinc/86/19/85/337861985.db2.gz KCCZCUPCVYUAOR-AHRSYUTCSA-N 0 0 323.436 3.697 10 0 DHAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC[C@H]1c1ccco1 ZINC000089244724 337867950 /nfs/dbraw/zinc/86/79/50/337867950.db2.gz FGGLCHLGXIOVAY-LSDHHAIUSA-N 0 0 319.788 3.720 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)NCCCC(C)(C)C ZINC000121276852 337890207 /nfs/dbraw/zinc/89/02/07/337890207.db2.gz YOGZJCJQGWEDLQ-HNNXBMFYSA-N 0 0 320.481 3.710 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@H]1c1cccc(F)c1 ZINC000091171162 337890248 /nfs/dbraw/zinc/89/02/48/337890248.db2.gz QMIDJEHDXXLIDC-ZWKOTPCHSA-N 0 0 313.372 3.613 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)NCCCC(C)(C)C ZINC000121277027 337890252 /nfs/dbraw/zinc/89/02/52/337890252.db2.gz YOGZJCJQGWEDLQ-OAHLLOKOSA-N 0 0 320.481 3.710 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000091618422 337893771 /nfs/dbraw/zinc/89/37/71/337893771.db2.gz QMTGYLYWTDXYBZ-FZMZJTMJSA-N 0 0 316.405 3.536 10 0 DHAERN CCCc1sc(C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1CC ZINC000085981416 338012904 /nfs/dbraw/zinc/01/29/04/338012904.db2.gz YGLLHTHSROFYIW-KBPBESRZSA-N 0 0 309.475 3.544 10 0 DHAERN COc1ccccc1[C@@H](C)NC(=O)c1occc1Br ZINC000433514424 338196132 /nfs/dbraw/zinc/19/61/32/338196132.db2.gz CDOAVPPRWIAUAY-SECBINFHSA-N 0 0 324.174 3.542 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)O1 ZINC000154152805 338237885 /nfs/dbraw/zinc/23/78/85/338237885.db2.gz JDVMVBJVZOSIQT-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN O=C(c1cc(Cl)cc(Br)c1)N1C[C@@H]2CCC[C@H]21 ZINC000437254700 338304775 /nfs/dbraw/zinc/30/47/75/338304775.db2.gz XATHYBFPRQGLDB-QPUJVOFHSA-N 0 0 314.610 3.727 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Nc2cnn(-c3ccccc3)c2C)o1 ZINC000156741678 338382621 /nfs/dbraw/zinc/38/26/21/338382621.db2.gz SIVXGGOBMSFZOB-ZDUSSCGKSA-N 0 0 324.384 3.965 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000160281743 338546886 /nfs/dbraw/zinc/54/68/86/338546886.db2.gz FVTYITHFUVGZED-LDWIPMOCSA-N 0 0 322.124 3.606 10 0 DHAERN CSC1(CNC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000195045317 338845824 /nfs/dbraw/zinc/84/58/24/338845824.db2.gz GIICPIXENHQFAE-IUODEOHRSA-N 0 0 304.459 3.820 10 0 DHAERN CSC1(CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000195045304 338845841 /nfs/dbraw/zinc/84/58/41/338845841.db2.gz GIICPIXENHQFAE-WFASDCNBSA-N 0 0 304.459 3.820 10 0 DHAERN COc1ccc(OC(F)F)c(N[C@@H](C)c2cncs2)c1 ZINC000165655485 339052995 /nfs/dbraw/zinc/05/29/95/339052995.db2.gz CCPKGXQEFOAVJH-QMMMGPOBSA-N 0 0 300.330 3.926 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1COc2ccccc21 ZINC000172914153 340348159 /nfs/dbraw/zinc/34/81/59/340348159.db2.gz HNYPLZHCOCHMDO-CXAGYDPISA-N 0 0 313.372 3.644 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@@H](C)c1ccccc1F ZINC000172961816 340350223 /nfs/dbraw/zinc/35/02/23/340350223.db2.gz TVGNOLWFHQXVCX-GJZGRUSLSA-N 0 0 315.388 3.651 10 0 DHAERN CC[C@H](C(=O)N[C@H](C)COCc1ccccc1)c1ccccc1 ZINC000172967128 340350404 /nfs/dbraw/zinc/35/04/04/340350404.db2.gz ZVZDYDFJJRZZMJ-APWZRJJASA-N 0 0 311.425 3.902 10 0 DHAERN CC(C)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)n(C)n1 ZINC000173262839 340361400 /nfs/dbraw/zinc/36/14/00/340361400.db2.gz VUHFJSHTZCHGAY-NSHDSACASA-N 0 0 305.809 3.688 10 0 DHAERN CCN(C(=O)N[C@H](C)COCc1ccccc1)C1CCCC1 ZINC000173335756 340362731 /nfs/dbraw/zinc/36/27/31/340362731.db2.gz HDTFTYCJPVFSEE-OAHLLOKOSA-N 0 0 304.434 3.566 10 0 DHAERN CC[C@]1(C)CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000173372608 340363516 /nfs/dbraw/zinc/36/35/16/340363516.db2.gz IMJDMKBTDIQNML-MAUKXSAKSA-N 0 0 302.418 3.732 10 0 DHAERN CO[C@]1(C)C[C@@H](N(C)C(=O)N[C@H](C)c2cccs2)C1(C)C ZINC000173423070 340364792 /nfs/dbraw/zinc/36/47/92/340364792.db2.gz WVLFHUYYOKGWBU-AXAPSJFSSA-N 0 0 310.463 3.654 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000174138490 340382718 /nfs/dbraw/zinc/38/27/18/340382718.db2.gz ZRFZYOZKNHTNGT-NJAFHUGGSA-N 0 0 316.445 3.566 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@@H]1C1CCC1 ZINC000174141514 340382899 /nfs/dbraw/zinc/38/28/99/340382899.db2.gz GHIAGDKMNPEYOL-CRAIPNDOSA-N 0 0 316.445 3.566 10 0 DHAERN CC(C)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000174486367 340389761 /nfs/dbraw/zinc/38/97/61/340389761.db2.gz JPRTVCWOMFJKSJ-HUUCEWRRSA-N 0 0 307.384 3.963 10 0 DHAERN CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C)c1cccs1 ZINC000175069488 340402341 /nfs/dbraw/zinc/40/23/41/340402341.db2.gz UTOPCVJAEXQHNH-AAEUAGOBSA-N 0 0 307.390 3.922 10 0 DHAERN CCc1nc(C2(NC(=O)C[C@@H](CC)C(C)C)CCCC2)no1 ZINC000175156027 340404386 /nfs/dbraw/zinc/40/43/86/340404386.db2.gz DPEZZYDDOWGRQW-CYBMUJFWSA-N 0 0 307.438 3.590 10 0 DHAERN Cc1c2ccccc2oc1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000175724074 340418176 /nfs/dbraw/zinc/41/81/76/340418176.db2.gz NTCIMUXQTAJBSZ-GFCCVEGCSA-N 0 0 317.385 3.543 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@@H]2COc3ccccc32)[C@H]1c1ccccc1 ZINC000176043456 340424708 /nfs/dbraw/zinc/42/47/08/340424708.db2.gz LOPCAISSGKBKPN-MZMPZRCHSA-N 0 0 308.381 3.523 10 0 DHAERN CC(C)COc1ccc(NC(=O)C[C@H](O)C(C)C)cc1Cl ZINC000178894557 340452453 /nfs/dbraw/zinc/45/24/53/340452453.db2.gz KDXVMLVEKPXSPF-AWEZNQCLSA-N 0 0 313.825 3.720 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)NCCCc2ccccn2)c2ccccc21 ZINC000179087463 340453093 /nfs/dbraw/zinc/45/30/93/340453093.db2.gz ANIXNQJHVPNCGN-HNAYVOBHSA-N 0 0 323.440 3.952 10 0 DHAERN C[C@H](NC(=O)N1CCc2c1cccc2F)c1ccc(F)c(F)c1 ZINC000184403358 340492638 /nfs/dbraw/zinc/49/26/38/340492638.db2.gz PCFFYUOJCVVVAI-JTQLQIEISA-N 0 0 320.314 3.937 10 0 DHAERN CC(C)[C@@H]1C[C@@H]1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000185286070 340499677 /nfs/dbraw/zinc/49/96/77/340499677.db2.gz HKTYHSJSPHZNAW-YESZJQIVSA-N 0 0 301.430 3.657 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000189835904 340540402 /nfs/dbraw/zinc/54/04/02/340540402.db2.gz BTDXYBRRKGMOGS-SWLSCSKDSA-N 0 0 309.837 3.549 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000190013385 340541942 /nfs/dbraw/zinc/54/19/42/340541942.db2.gz LQUMLRNVLJPSDC-KBXCAEBGSA-N 0 0 309.409 3.998 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)NC(C)(C)c1cccc(Cl)c1F ZINC000190349532 340544429 /nfs/dbraw/zinc/54/44/29/340544429.db2.gz RRNIWDNFCFZRKQ-QWRGUYRKSA-N 0 0 313.800 3.646 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N2CCSCC[C@H]2C)cc1 ZINC000190464311 340545397 /nfs/dbraw/zinc/54/53/97/340545397.db2.gz CMSNADGGILYZGN-KGLIPLIRSA-N 0 0 306.475 3.847 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1cc(Cl)ccc1Cl ZINC000190516793 340545691 /nfs/dbraw/zinc/54/56/91/340545691.db2.gz AMDXKWPNGOBABY-JFGNBEQYSA-N 0 0 316.228 3.986 10 0 DHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)CC2 ZINC000190538769 340545787 /nfs/dbraw/zinc/54/57/87/340545787.db2.gz AWIIAHCBXUZKBH-FDQGKXFDSA-N 0 0 301.430 3.729 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000191382491 340553813 /nfs/dbraw/zinc/55/38/13/340553813.db2.gz BMGBEGLCDAENCV-CRAIPNDOSA-N 0 0 309.409 3.707 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC000191923303 340560301 /nfs/dbraw/zinc/56/03/01/340560301.db2.gz VMRGUKKVVDCBGC-CXAGYDPISA-N 0 0 305.393 3.916 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(CC1CCCCC1)c1ccccn1 ZINC000191931889 340560328 /nfs/dbraw/zinc/56/03/28/340560328.db2.gz GXODPGDAWOCFDD-WBVHZDCISA-N 0 0 316.445 3.810 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000191954085 340560365 /nfs/dbraw/zinc/56/03/65/340560365.db2.gz DQEKVTBXWSIHRZ-CZUORRHYSA-N 0 0 307.409 3.768 10 0 DHAERN C[C@H](NC(=O)CCc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000192307742 340565961 /nfs/dbraw/zinc/56/59/61/340565961.db2.gz BHILANRSRVLUEZ-JTQLQIEISA-N 0 0 324.211 3.593 10 0 DHAERN CC(C)(C)OC(=O)NCCN1Sc2cccc(F)c2S1 ZINC000521399916 340577636 /nfs/dbraw/zinc/57/76/36/340577636.db2.gz BWPXSBBWNGLOQS-UHFFFAOYSA-N 0 0 316.423 3.680 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CCOC[C@H]2C)cc1 ZINC000194685871 340594873 /nfs/dbraw/zinc/59/48/73/340594873.db2.gz RXMWBACGHCYFNS-VKJFTORMSA-N 0 0 319.445 3.571 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC000194861359 340596634 /nfs/dbraw/zinc/59/66/34/340596634.db2.gz AOTIRXHDMNEQAF-CQSZACIVSA-N 0 0 322.389 3.674 10 0 DHAERN COc1ccc(Br)c(NC(=O)[C@@H]2CCC[C@H]2C)c1 ZINC000230057510 340617867 /nfs/dbraw/zinc/61/78/67/340617867.db2.gz CHCJHVLANIPPSS-MWLCHTKSSA-N 0 0 312.207 3.832 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000062509862 340710697 /nfs/dbraw/zinc/71/06/97/340710697.db2.gz MZZLFCAQSPYSCW-GASCZTMLSA-N 0 0 303.446 3.553 10 0 DHAERN C[C@@H](NC(=O)N(C)[C@H](C)c1ccncc1)c1ccc(F)c(F)c1 ZINC000126890208 340839323 /nfs/dbraw/zinc/83/93/23/340839323.db2.gz NYDZCQWFCZOVKC-VXGBXAGGSA-N 0 0 319.355 3.823 10 0 DHAERN Fc1cc(CN[C@H]2COc3ccccc32)ccc1Br ZINC000127450907 340851133 /nfs/dbraw/zinc/85/11/33/340851133.db2.gz GSSASXSTQLZRAB-AWEZNQCLSA-N 0 0 322.177 3.812 10 0 DHAERN COC(=O)[C@@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000072588785 341092475 /nfs/dbraw/zinc/09/24/75/341092475.db2.gz XDIOGJNCPXPRKS-BZNIZROVSA-N 0 0 305.324 3.530 10 0 DHAERN C[C@@H]1CN(C(=O)CCCc2csc3ccccc23)C[C@@H](C)O1 ZINC000132664647 341137842 /nfs/dbraw/zinc/13/78/42/341137842.db2.gz KVPMFXDKCWIDLW-ZIAGYGMSSA-N 0 0 317.454 3.860 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Cc1ccc(O)cc1 ZINC000132689265 341141371 /nfs/dbraw/zinc/14/13/71/341141371.db2.gz PFOACTGYDMDQBE-GFCCVEGCSA-N 0 0 303.789 3.808 10 0 DHAERN CCc1noc(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000133030717 341152252 /nfs/dbraw/zinc/15/22/52/341152252.db2.gz IIKXKHYVUVEOOY-WDEREUQCSA-N 0 0 306.312 3.566 10 0 DHAERN CCC1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000075561086 341178324 /nfs/dbraw/zinc/17/83/24/341178324.db2.gz ZCYOQJIBVQYHMR-UHFFFAOYSA-N 0 0 315.457 3.820 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NC[C@@H](C)SC)o1 ZINC000133958287 341202884 /nfs/dbraw/zinc/20/28/84/341202884.db2.gz JJAIEQWGOAFOQU-TZMCWYRMSA-N 0 0 310.463 3.830 10 0 DHAERN O=C(c1cc2cc(F)ccc2s1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000076925868 341215754 /nfs/dbraw/zinc/21/57/54/341215754.db2.gz UTLYKMGFZYLFTQ-UONOGXRCSA-N 0 0 319.401 3.824 10 0 DHAERN CC(C)CNC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000135716169 341244725 /nfs/dbraw/zinc/24/47/25/341244725.db2.gz IUPRBOSUUXLHHV-SECBINFHSA-N 0 0 321.223 3.555 10 0 DHAERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1O ZINC000078744745 341247279 /nfs/dbraw/zinc/24/72/79/341247279.db2.gz MCCSSLIBYWQKQR-GHMZBOCLSA-N 0 0 301.308 3.552 10 0 DHAERN CC(C)(C)Oc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000079412656 341258642 /nfs/dbraw/zinc/25/86/42/341258642.db2.gz YRHORBZHPOSETK-IRXDYDNUSA-N 0 0 317.429 3.648 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@](C)(O)[C@H](C)c1ccccc1 ZINC000245417167 341292383 /nfs/dbraw/zinc/29/23/83/341292383.db2.gz JOKASQOWWJZFRD-GQIGUUNPSA-N 0 0 311.425 3.727 10 0 DHAERN COc1ccc2oc(CN3CCO[C@@H]4CCCC[C@H]43)cc2c1 ZINC000245544868 341300877 /nfs/dbraw/zinc/30/08/77/341300877.db2.gz SSQHAYYKXHWQLR-SJLPKXTDSA-N 0 0 301.386 3.585 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCCOCC2)cc1 ZINC000245592668 341304080 /nfs/dbraw/zinc/30/40/80/341304080.db2.gz AONFSEXEJHGZCK-OKZBNKHCSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1nc(C2(NCCc3ccccc3F)CCCC2)no1 ZINC000138317924 341305057 /nfs/dbraw/zinc/30/50/57/341305057.db2.gz KZTNPOWIXVPROC-UHFFFAOYSA-N 0 0 317.408 3.934 10 0 DHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000081937648 341310585 /nfs/dbraw/zinc/31/05/85/341310585.db2.gz RMYKHIMUAZPSMZ-WMLDXEAASA-N 0 0 318.461 3.750 10 0 DHAERN C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCCc3cc(F)ccc32)O1 ZINC000245881132 341317249 /nfs/dbraw/zinc/31/72/49/341317249.db2.gz IEDZJMKGTRQAJY-VMGRFDJRSA-N 0 0 305.393 3.667 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000246132573 341328325 /nfs/dbraw/zinc/32/83/25/341328325.db2.gz VKJWSTJGFPTJLM-ZSGPHXLJSA-N 0 0 301.430 3.945 10 0 DHAERN CCn1ccnc1C[S@@](=O)C(c1ccccc1)c1ccccc1 ZINC000083033496 341340256 /nfs/dbraw/zinc/34/02/56/341340256.db2.gz DOQNZLWABQUOHM-QHCPKHFHSA-N 0 0 324.449 3.941 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H](C)C3)C2)n1 ZINC000246333456 341342630 /nfs/dbraw/zinc/34/26/30/341342630.db2.gz ONJQEUHLMFQVPN-BPLDGKMQSA-N 0 0 321.490 3.919 10 0 DHAERN CCC[C@H](CCO)CNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246697472 341355756 /nfs/dbraw/zinc/35/57/56/341355756.db2.gz WXYIUJITCLHUFF-RKVPGOIHSA-N 0 0 318.461 3.723 10 0 DHAERN CC(C)CCc1nc(CN2CC[C@@]3(O)CCCC[C@H]3C2)cs1 ZINC000247966841 341371574 /nfs/dbraw/zinc/37/15/74/341371574.db2.gz GXRJIEKYILZQSO-YJBOKZPZSA-N 0 0 322.518 3.859 10 0 DHAERN CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@H](C)c1cccs1 ZINC000248465528 341378507 /nfs/dbraw/zinc/37/85/07/341378507.db2.gz COYKVHNBQZKHTD-RDBSUJKOSA-N 0 0 310.463 3.702 10 0 DHAERN C[C@@H]1CCSCCN1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000248965349 341390991 /nfs/dbraw/zinc/39/09/91/341390991.db2.gz NTDITQSHNNMBSW-UTUOFQBUSA-N 0 0 324.412 3.645 10 0 DHAERN CO[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CC[C@@H]1C ZINC000249168484 341394915 /nfs/dbraw/zinc/39/49/15/341394915.db2.gz KTAAPZRPDAESAZ-WQANXHIZSA-N 0 0 315.457 3.797 10 0 DHAERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000249331237 341396516 /nfs/dbraw/zinc/39/65/16/341396516.db2.gz WTGBRGDNRFZYSA-KBMXLJTQSA-N 0 0 302.418 3.730 10 0 DHAERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000253280638 341452809 /nfs/dbraw/zinc/45/28/09/341452809.db2.gz VOHVTRUIJLDSMV-INMHGKMJSA-N 0 0 303.446 3.674 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000147792305 341490333 /nfs/dbraw/zinc/49/03/33/341490333.db2.gz YEGSADVYLGGPNA-BZUAXINKSA-N 0 0 313.784 3.693 10 0 DHAERN CCC[C@H](CCO)CNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000153262773 341532360 /nfs/dbraw/zinc/53/23/60/341532360.db2.gz WXYIUJITCLHUFF-DAYGRLMNSA-N 0 0 318.461 3.723 10 0 DHAERN CCc1cnccc1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000155031968 341600483 /nfs/dbraw/zinc/60/04/83/341600483.db2.gz WTEIOMNLKNSQAJ-JTQLQIEISA-N 0 0 306.768 3.928 10 0 DHAERN C[C@H]1CN(C(=O)Nc2cccnc2-c2ccccc2)CCS1 ZINC000157091965 341632276 /nfs/dbraw/zinc/63/22/76/341632276.db2.gz JKJMPGFPORTADR-ZDUSSCGKSA-N 0 0 313.426 3.718 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccccc1N1CCc2ccccc21 ZINC000171444303 341778100 /nfs/dbraw/zinc/77/81/00/341778100.db2.gz WYJHTUSTRWXOJB-AWEZNQCLSA-N 0 0 310.397 3.602 10 0 DHAERN CC(C)Oc1ccc(Cl)cc1C(=O)N1CCS[C@H](C)C1 ZINC000171565566 341780520 /nfs/dbraw/zinc/78/05/20/341780520.db2.gz RCPHXGXLCKLEPI-LLVKDONJSA-N 0 0 313.850 3.705 10 0 DHAERN C[C@H]1CN(C(=O)CCc2ccc(Cl)cc2Cl)CCS1 ZINC000171583164 341780896 /nfs/dbraw/zinc/78/08/96/341780896.db2.gz KFVPZJLFDYSHMU-JTQLQIEISA-N 0 0 318.269 3.890 10 0 DHAERN C[C@H](CNC(=O)N[C@H](C)c1cccs1)Oc1ccccc1 ZINC000172179977 341794354 /nfs/dbraw/zinc/79/43/54/341794354.db2.gz IDFKDQJAQSMJJM-CHWSQXEVSA-N 0 0 304.415 3.576 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)NCc2ncc(C)s2)o1 ZINC000173509752 341817450 /nfs/dbraw/zinc/81/74/50/341817450.db2.gz QYFORPSPOKMVLU-ZDUSSCGKSA-N 0 0 319.430 3.790 10 0 DHAERN CCCC1(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)CCC1 ZINC000177251533 341918300 /nfs/dbraw/zinc/91/83/00/341918300.db2.gz NRKYMMQZULHCIU-GFCCVEGCSA-N 0 0 306.372 3.941 10 0 DHAERN CC(C)c1nnc(CN2c3ccccc3S[C@H](C)[C@@H]2C)n1C ZINC000177345373 341918783 /nfs/dbraw/zinc/91/87/83/341918783.db2.gz IQXQECMSATZXFD-QWHCGFSZSA-N 0 0 316.474 3.828 10 0 DHAERN CC(C)c1nnc(CN2c3ccccc3S[C@H](C)[C@H]2C)n1C ZINC000177345356 341918846 /nfs/dbraw/zinc/91/88/46/341918846.db2.gz IQXQECMSATZXFD-CHWSQXEVSA-N 0 0 316.474 3.828 10 0 DHAERN CCCN(C(=O)N[C@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000177652462 341922580 /nfs/dbraw/zinc/92/25/80/341922580.db2.gz QNGSFWALQOEBKG-HNNXBMFYSA-N 0 0 302.418 3.873 10 0 DHAERN C[C@@]1(C(=O)N2CCC[C@@H]2c2cccs2)CC1(Cl)Cl ZINC000068783136 518181217 /nfs/dbraw/zinc/18/12/17/518181217.db2.gz FAKNRQYKHJNZJX-SKDRFNHKSA-N 0 0 304.242 3.996 10 0 DHAERN CC(=O)N(C)c1cccc(NC(=O)N[C@@H](C)c2cccs2)c1 ZINC000174959226 519456440 /nfs/dbraw/zinc/45/64/40/519456440.db2.gz UTXYFZLTQDMOFA-NSHDSACASA-N 0 0 317.414 3.614 10 0 DHAERN CC(C)N(CC(F)F)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000161874702 519638797 /nfs/dbraw/zinc/63/87/97/519638797.db2.gz VTDFTXVVEXPOGO-MNOVXSKESA-N 0 0 303.299 3.570 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000128419541 519744113 /nfs/dbraw/zinc/74/41/13/519744113.db2.gz ZUARFVMZOSFCFC-SJORKVTESA-N 0 0 300.402 3.800 10 0 DHAERN CC(C)CO[C@@H](C)c1noc(CN[C@@H](C)c2cccs2)n1 ZINC000182552117 519759748 /nfs/dbraw/zinc/75/97/48/519759748.db2.gz JWQFKUDNIKOBOI-RYUDHWBXSA-N 0 0 309.435 3.716 10 0 DHAERN CC(C)[C@@H](SC1CCOCC1)C(=O)N[C@@H](C)c1ccccc1 ZINC000131396543 519801364 /nfs/dbraw/zinc/80/13/64/519801364.db2.gz LPGAZNYBSUNVJG-WMLDXEAASA-N 0 0 321.486 3.801 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(Cl)cc2)no1 ZINC000173453733 519868613 /nfs/dbraw/zinc/86/86/13/519868613.db2.gz UUILZEAQRNUBQX-CYBMUJFWSA-N 0 0 319.792 3.824 10 0 DHAERN CCCCC[C@@H](C(=O)N1CCO[C@@H](c2nccs2)C1)C(C)C ZINC000153839967 520274221 /nfs/dbraw/zinc/27/42/21/520274221.db2.gz DWUNUPRODYUHPJ-HUUCEWRRSA-N 0 0 324.490 3.896 10 0 DHAERN CCCOc1cccc(N[C@H]2C[C@@H](OCC)C23CCOCC3)c1 ZINC000186451703 520464795 /nfs/dbraw/zinc/46/47/95/520464795.db2.gz VHVMTHFIKVIVKN-ZWKOTPCHSA-N 0 0 319.445 3.862 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)Cc1ccsc1 ZINC000171306301 520512064 /nfs/dbraw/zinc/51/20/64/520512064.db2.gz PIBQYNDVKZSEBM-MRXNPFEDSA-N 0 0 315.438 3.669 10 0 DHAERN CCC[C@@H](NC(=O)c1ccccc1SC)C(=O)OC(C)(C)C ZINC000183640382 520754060 /nfs/dbraw/zinc/75/40/60/520754060.db2.gz DMYTUAAHMQPEKT-CYBMUJFWSA-N 0 0 323.458 3.649 10 0 DHAERN CC1=C(C(=O)N[C@H](C)c2ccccc2Br)CCCO1 ZINC000159286413 520801676 /nfs/dbraw/zinc/80/16/76/520801676.db2.gz VURCUZLLUFGIHP-SNVBAGLBSA-N 0 0 324.218 3.711 10 0 DHAERN CCC(CC)(CC)[S@](=O)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000190570179 521405424 /nfs/dbraw/zinc/40/54/24/521405424.db2.gz OPRJTBMMTGSZJV-AYSMAOOMSA-N 0 0 323.502 3.970 10 0 DHAERN CCOCCCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129805094 521695535 /nfs/dbraw/zinc/69/55/35/521695535.db2.gz MNIOBHMSYWNPID-MRXNPFEDSA-N 0 0 317.429 3.756 10 0 DHAERN COC(=O)c1ccc(CN2CCCC[C@H]2c2nccs2)s1 ZINC000163327007 522006953 /nfs/dbraw/zinc/00/69/53/522006953.db2.gz KWUVSAIKEQBQAR-LBPRGKRZSA-N 0 0 322.455 3.718 10 0 DHAERN CCc1cnc([C@@H](C)Nc2noc(-c3ccccc3)n2)s1 ZINC000157884910 522057379 /nfs/dbraw/zinc/05/73/79/522057379.db2.gz UUHQFUAJJRFYMW-SNVBAGLBSA-N 0 0 300.387 3.929 10 0 DHAERN CC[C@@H](C)OCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000156153673 522241025 /nfs/dbraw/zinc/24/10/25/522241025.db2.gz WQUKPJWBGFEXOV-ZIAGYGMSSA-N 0 0 324.490 3.788 10 0 DHAERN COC[C@H](C)C(=O)N(C)[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000163206885 522543479 /nfs/dbraw/zinc/54/34/79/522543479.db2.gz FMDUXGZOKOFUOB-JOYOIKCWSA-N 0 0 323.742 3.684 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1ccsc1)c1ccc(Cl)cc1 ZINC000171460895 522550630 /nfs/dbraw/zinc/55/06/30/522550630.db2.gz QPQQCFRSXUIIAY-XHDPSFHLSA-N 0 0 323.845 3.890 10 0 DHAERN CCc1nccn1[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 ZINC000163071866 522599656 /nfs/dbraw/zinc/59/96/56/522599656.db2.gz LOGMLBTWFOPGPJ-HNNXBMFYSA-N 0 0 316.474 3.617 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC000179912591 522600564 /nfs/dbraw/zinc/60/05/64/522600564.db2.gz VSAJIFZUSFFKSP-AWEZNQCLSA-N 0 0 317.458 3.601 10 0 DHAERN CCc1ncsc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000123451467 522616034 /nfs/dbraw/zinc/61/60/34/522616034.db2.gz RIQPSMIDUMXFPE-NSHDSACASA-N 0 0 307.444 3.529 10 0 DHAERN CCc1nn(C)c(CC)c1CN1CCCC[C@H]1c1nccs1 ZINC000127747437 522652943 /nfs/dbraw/zinc/65/29/43/522652943.db2.gz FGTZEJHGYAZXJR-INIZCTEOSA-N 0 0 318.490 3.729 10 0 DHAERN CCc1nnc(CN[C@H](c2cccc(C)c2)C(C)(C)C)n1C ZINC000180793881 522747857 /nfs/dbraw/zinc/74/78/57/522747857.db2.gz MMUBZUVANMAGCO-QGZVFWFLSA-N 0 0 300.450 3.563 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)n1C ZINC000180015051 522748709 /nfs/dbraw/zinc/74/87/09/522748709.db2.gz VIGMIBWPHDYQPV-FABXCBLPSA-N 0 0 318.852 3.518 10 0 DHAERN CCc1onc(C)c1NC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000184131593 523055134 /nfs/dbraw/zinc/05/51/34/523055134.db2.gz IUEIKXREDCDBOF-ZBEGNZNMSA-N 0 0 313.401 3.909 10 0 DHAERN COCCC1(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000164246509 523057855 /nfs/dbraw/zinc/05/78/55/523057855.db2.gz LXQHJLQIISMGMK-ROUUACIJSA-N 0 0 315.457 3.846 10 0 DHAERN CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000123540437 523112448 /nfs/dbraw/zinc/11/24/48/523112448.db2.gz PAWHHXSEHNMSSC-HIFRSBDPSA-N 0 0 301.390 3.837 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](C)c1cccc(Cl)c1Cl ZINC000183752475 523153855 /nfs/dbraw/zinc/15/38/55/523153855.db2.gz NVGUDHHTDQDOKF-VIFPVBQESA-N 0 0 313.232 3.764 10 0 DHAERN COCc1noc([C@H](C)N[C@H](C)c2ccc(CC(C)C)cc2)n1 ZINC000183007275 523275168 /nfs/dbraw/zinc/27/51/68/523275168.db2.gz DTVWAWUGIYGZMP-KGLIPLIRSA-N 0 0 317.433 3.826 10 0 DHAERN CCc1cc(O)ccc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000191079645 523827948 /nfs/dbraw/zinc/82/79/48/523827948.db2.gz VVJDKFNDCUTZFS-UONOGXRCSA-N 0 0 317.335 3.975 10 0 DHAERN COc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1OC ZINC000127699247 524026539 /nfs/dbraw/zinc/02/65/39/524026539.db2.gz PJMNPDXLEBUOHI-CQSZACIVSA-N 0 0 318.442 3.888 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2cncc(Cl)n2)o1 ZINC000192356040 524035619 /nfs/dbraw/zinc/03/56/19/524035619.db2.gz RWONXDHKIDMHGI-ZDUSSCGKSA-N 0 0 319.792 3.653 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2snnc2CC)o1 ZINC000128523956 524035754 /nfs/dbraw/zinc/03/57/54/524035754.db2.gz JGLHQMUZMBFCSD-ZDUSSCGKSA-N 0 0 319.430 3.623 10 0 DHAERN CCc1cccc(C)c1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000151576662 524064471 /nfs/dbraw/zinc/06/44/71/524064471.db2.gz SWCZXXNHWYSHEW-QFBILLFUSA-N 0 0 316.445 3.716 10 0 DHAERN Cc1cc(C)c(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)o1 ZINC000168778027 524237844 /nfs/dbraw/zinc/23/78/44/524237844.db2.gz SRPYRUMAXHOBAP-CYBMUJFWSA-N 0 0 311.303 3.800 10 0 DHAERN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)s1 ZINC000115367141 524250528 /nfs/dbraw/zinc/25/05/28/524250528.db2.gz OOEFWVFXHONPIQ-ZDUSSCGKSA-N 0 0 306.456 3.809 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(Br)c2Cl)O1 ZINC000338514927 524640089 /nfs/dbraw/zinc/64/00/89/524640089.db2.gz QUJKJOCJNZAASZ-GMSGAONNSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccccc1CC(F)(F)F ZINC000188200451 525018987 /nfs/dbraw/zinc/01/89/87/525018987.db2.gz DXBLRRBUKOIAGN-ZYHUDNBSSA-N 0 0 301.308 3.545 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@@H](C)CC1)c1ccc(F)c(F)c1 ZINC000192223168 525036898 /nfs/dbraw/zinc/03/68/98/525036898.db2.gz UATXGEBQXJVJMH-QWRGUYRKSA-N 0 0 314.401 3.563 10 0 DHAERN C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1cc2ccccc2s1 ZINC000191451631 525175640 /nfs/dbraw/zinc/17/56/40/525175640.db2.gz HHTBAKDYOVSBME-OBJOEFQTSA-N 0 0 303.427 3.894 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccc2ccccc2c1 ZINC000131810776 525269089 /nfs/dbraw/zinc/26/90/89/525269089.db2.gz SCXACRMDHKQDBX-CXAGYDPISA-N 0 0 319.408 3.860 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(Cl)c1Br ZINC000191733310 525326331 /nfs/dbraw/zinc/32/63/31/525326331.db2.gz QZXIODAWZLBDHK-MUWHJKNJSA-N 0 0 303.587 3.632 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1 ZINC000107090795 525357779 /nfs/dbraw/zinc/35/77/79/525357779.db2.gz FKZHQSLAFYBLSK-CYBMUJFWSA-N 0 0 307.353 3.536 10 0 DHAERN C[C@@H](NC(=O)c1sccc1OC(F)F)c1cccs1 ZINC000170917050 525384112 /nfs/dbraw/zinc/38/41/12/525384112.db2.gz YGPACVZTJXZDMZ-SSDOTTSWSA-N 0 0 303.355 3.902 10 0 DHAERN CSCCCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000188262492 525424806 /nfs/dbraw/zinc/42/48/06/525424806.db2.gz YEBSNUVBYAYQEO-STQMWFEESA-N 0 0 313.413 3.718 10 0 DHAERN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(N)cc2)C2CC2)o1 ZINC000262313637 525508037 /nfs/dbraw/zinc/50/80/37/525508037.db2.gz OSIZEGWDUNXSOH-SJKOYZFVSA-N 0 0 310.397 3.790 10 0 DHAERN Cc1nc(/C=C/c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)cs1 ZINC000299751471 534868393 /nfs/dbraw/zinc/86/83/93/534868393.db2.gz QOYNYUSKVDVYNM-GSKXSAQWSA-N 0 0 319.430 3.924 10 0 DHAERN CSC[C@H](C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129998211 525671749 /nfs/dbraw/zinc/67/17/49/525671749.db2.gz MKCFKDIDTQGTEE-DZGCQCFKSA-N 0 0 319.470 3.938 10 0 DHAERN CS[C@@H](C)CC(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000162828620 525789974 /nfs/dbraw/zinc/78/99/74/525789974.db2.gz UQYIXBMCRMYFFD-DZGCQCFKSA-N 0 0 307.459 3.507 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCc2cscn2)o1 ZINC000172667696 525797430 /nfs/dbraw/zinc/79/74/30/525797430.db2.gz NUIAZRZRGABDBP-AWEZNQCLSA-N 0 0 304.415 3.731 10 0 DHAERN COc1cccc(CC(=O)N2CCCC[C@@H]2c2ccc(C)o2)c1 ZINC000127828176 525865961 /nfs/dbraw/zinc/86/59/61/525865961.db2.gz NJRYVYIPVKRFII-QGZVFWFLSA-N 0 0 313.397 3.893 10 0 DHAERN CSc1cc(C(=O)N2CCCC[C@H]2c2nccs2)ccn1 ZINC000115364092 525924729 /nfs/dbraw/zinc/92/47/29/525924729.db2.gz BIHMLOUITONPMB-LBPRGKRZSA-N 0 0 319.455 3.627 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc(-c3ccc(F)c(F)c3)no2)o1 ZINC000182579871 525930704 /nfs/dbraw/zinc/93/07/04/525930704.db2.gz YUDYOMOSLCVOON-JTQLQIEISA-N 0 0 319.311 3.767 10 0 DHAERN COc1cccc(CN2CCCC[C@H]2c2nccs2)c1OC ZINC000127683236 525935622 /nfs/dbraw/zinc/93/56/22/525935622.db2.gz SKCYBULSVYKWCW-AWEZNQCLSA-N 0 0 318.442 3.888 10 0 DHAERN CSc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000157304138 526031597 /nfs/dbraw/zinc/03/15/97/526031597.db2.gz WKSSDNIBBOLRRV-SUMWQHHRSA-N 0 0 320.458 3.567 10 0 DHAERN CSc1cccc(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000151594897 526123325 /nfs/dbraw/zinc/12/33/25/526123325.db2.gz LRRFDVOHNDYLGA-SUMWQHHRSA-N 0 0 320.458 3.567 10 0 DHAERN C[C@H](CC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1cccc(F)c1 ZINC000116202054 526225647 /nfs/dbraw/zinc/22/56/47/526225647.db2.gz NROIBLQJWABNGM-DYVFJYSZSA-N 0 0 315.392 3.796 10 0 DHAERN Cc1ccc(C(=O)Nc2ccccc2N)c(Br)c1 ZINC000163596569 526226705 /nfs/dbraw/zinc/22/67/05/526226705.db2.gz UKBIPWCBCXHBNS-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN Cc1csc(CS[C@H](C)C(=O)N[C@@H](C)c2ccccc2)n1 ZINC000127112839 526366728 /nfs/dbraw/zinc/36/67/28/526366728.db2.gz UXRGWTFVSNLOBD-QWHCGFSZSA-N 0 0 320.483 3.951 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Nc3ccsc3)C2)n1 ZINC000157254259 526419654 /nfs/dbraw/zinc/41/96/54/526419654.db2.gz FKQUHLYBUJYISX-LLVKDONJSA-N 0 0 307.444 3.925 10 0 DHAERN Cc1csc([C@H]2CN(CCCc3cccc(F)c3)CCO2)n1 ZINC000182723819 526444065 /nfs/dbraw/zinc/44/40/65/526444065.db2.gz WGISRTDBMWXOLE-MRXNPFEDSA-N 0 0 320.433 3.597 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1 ZINC000157077250 526445088 /nfs/dbraw/zinc/44/50/88/526445088.db2.gz NPENCUZGYSAYLL-CQSZACIVSA-N 0 0 308.834 3.678 10 0 DHAERN O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC[C@H]1C1CCC1 ZINC000246051810 526510203 /nfs/dbraw/zinc/51/02/03/526510203.db2.gz VXAGICXDGUGNPZ-VBQJREDUSA-N 0 0 305.368 3.859 10 0 DHAERN Cc1noc(C)c1CNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 ZINC000124783790 526512970 /nfs/dbraw/zinc/51/29/70/526512970.db2.gz SKYKTYRJGFAEGY-CYBMUJFWSA-N 0 0 314.429 3.910 10 0 DHAERN c1cn(-c2ccccc2)c(CNc2nnc(CC3CCCC3)o2)n1 ZINC000191536179 526525160 /nfs/dbraw/zinc/52/51/60/526525160.db2.gz FKLACHNYYIJASO-UHFFFAOYSA-N 0 0 323.400 3.600 10 0 DHAERN c1csc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737297 526585388 /nfs/dbraw/zinc/58/53/88/526585388.db2.gz YCLCLLVAGKVBAW-KRWDZBQOSA-N 0 0 310.422 3.870 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)C1=COCCC1 ZINC000129843191 526881159 /nfs/dbraw/zinc/88/11/59/526881159.db2.gz KQYFONVJZPFFEB-MRXNPFEDSA-N 0 0 313.397 3.634 10 0 DHAERN Cn1c(CSCc2cc(Cl)ccc2F)nnc1C1CC1 ZINC000190057454 527066581 /nfs/dbraw/zinc/06/65/81/527066581.db2.gz BAPNSHJKFQTWDI-UHFFFAOYSA-N 0 0 311.813 3.918 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cc2ccccc2s1 ZINC000188228360 527187578 /nfs/dbraw/zinc/18/75/78/527187578.db2.gz DCYUKTPQTNDERR-RISCZKNCSA-N 0 0 312.442 3.987 10 0 DHAERN Cn1cc(CN2CCCC[C@@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964726 527199309 /nfs/dbraw/zinc/19/93/09/527199309.db2.gz NIYFIHQGNIMQLU-CQSZACIVSA-N 0 0 318.490 3.901 10 0 DHAERN O=C(Nc1ccc(F)cc1Cl)N1CCCC[C@H]1c1cn[nH]c1 ZINC000180595927 527207844 /nfs/dbraw/zinc/20/78/44/527207844.db2.gz RNVDZZOQAJCKEI-AWEZNQCLSA-N 0 0 322.771 3.961 10 0 DHAERN Cn1cc([C@@H]2CCCN2Cc2cnc(C(C)(C)C)s2)cn1 ZINC000131930614 527299955 /nfs/dbraw/zinc/29/99/55/527299955.db2.gz ABGSKODBKSTAQU-AWEZNQCLSA-N 0 0 304.463 3.511 10 0 DHAERN Cn1nccc1C1CCN(C(=O)NCCCCC(C)(C)C)CC1 ZINC000159067851 527597928 /nfs/dbraw/zinc/59/79/28/527597928.db2.gz FLKAYUVDNREPIE-UHFFFAOYSA-N 0 0 320.481 3.526 10 0 DHAERN Cn1nccc1C1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000153314372 527597952 /nfs/dbraw/zinc/59/79/52/527597952.db2.gz SBQVTBCTWLTVNV-INIZCTEOSA-N 0 0 317.477 3.733 10 0 DHAERN O[C@@H](CNc1noc(-c2ccccc2)n1)c1ccc(Cl)s1 ZINC000157774627 527657111 /nfs/dbraw/zinc/65/71/11/527657111.db2.gz KLBNTGDDDJLARY-JTQLQIEISA-N 0 0 321.789 3.597 10 0 DHAERN Clc1sc([C@@H]2NCCc3ccoc32)cc1Br ZINC000701386626 568414049 /nfs/dbraw/zinc/41/40/49/568414049.db2.gz MWZKOXBRNZLMRM-VIFPVBQESA-N 0 0 318.623 3.992 10 0 DHAERN O=c1[nH]ncc2c3ccccc3n(Cc3cccc(Cl)c3)c21 ZINC000013520331 563382822 /nfs/dbraw/zinc/38/28/22/563382822.db2.gz CAGQVVSZSXIJEC-UHFFFAOYSA-N 0 0 309.756 3.580 10 0 DHAERN COC(=O)c1c(NC(=O)OC(C)(C)C)sc2c1CCCC2 ZINC000071863973 563501518 /nfs/dbraw/zinc/50/15/18/563501518.db2.gz YOXOEVFUXYRJIK-UHFFFAOYSA-N 0 0 311.403 3.761 10 0 DHAERN CCc1nc(-c2ccc(C(=O)NC3CCC(C)CC3)cc2)no1 ZINC000033254237 563502131 /nfs/dbraw/zinc/50/21/31/563502131.db2.gz IKOZRAYHQVWYOP-UHFFFAOYSA-N 0 0 313.401 3.608 10 0 DHAERN CC(C)Cc1nc2cc(C(F)F)cc(Br)n2n1 ZINC000725247923 563526782 /nfs/dbraw/zinc/52/67/82/563526782.db2.gz DGDXTZYYTVCQPD-UHFFFAOYSA-N 0 0 304.138 3.628 10 0 DHAERN Oc1cc2cccc(Br)c2nc1C1CCOCC1 ZINC000725267376 563573980 /nfs/dbraw/zinc/57/39/80/563573980.db2.gz BOYRDPLBYCXYEW-UHFFFAOYSA-N 0 0 308.175 3.597 10 0 DHAERN CCOC(=O)N1c2cc(C)ccc2NC(=O)N1c1ccccc1 ZINC000584904508 563637749 /nfs/dbraw/zinc/63/77/49/563637749.db2.gz ICZSEGKLDGYOJG-UHFFFAOYSA-N 0 0 311.341 3.925 10 0 DHAERN c1ccc2c(c1)CCCN2c1ncnc2c1nc1n2CCCCC1 ZINC000006899577 563874053 /nfs/dbraw/zinc/87/40/53/563874053.db2.gz FIDHMNUYEICNRZ-UHFFFAOYSA-N 0 0 319.412 3.637 10 0 DHAERN CC[C@H](C)N(Cc1csc(COc2ccccc2)n1)C(C)=O ZINC000036114503 563894298 /nfs/dbraw/zinc/89/42/98/563894298.db2.gz YKTNQXFAFXWDCY-ZDUSSCGKSA-N 0 0 318.442 3.869 10 0 DHAERN Cc1ccc2c(c1)[nH]c(C(=O)[O-])c2C[NH2+]C1CCCCCC1 ZINC000006894421 563899157 /nfs/dbraw/zinc/89/91/57/563899157.db2.gz YFIQPDRPRGQEBS-UHFFFAOYSA-N 0 0 300.402 3.987 10 0 DHAERN CC(C)n1c2cnccc2nc(Nc2ccc(Cl)cc2)c1=O ZINC000075877510 563910855 /nfs/dbraw/zinc/91/08/55/563910855.db2.gz FWFKQTVYRGHEBJ-UHFFFAOYSA-N 0 0 314.776 3.769 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)c1ccc(Cl)cc1Cl ZINC000226261249 563913163 /nfs/dbraw/zinc/91/31/63/563913163.db2.gz UOCHBWOFVWFFHC-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN CCc1ccc(C(=O)Nc2ccc(N(CC)CC)c(N)c2)cc1 ZINC000226265507 563913422 /nfs/dbraw/zinc/91/34/22/563913422.db2.gz OYSGQCWGWJMQHZ-UHFFFAOYSA-N 0 0 311.429 3.930 10 0 DHAERN CCC(CC)n1nc(C)cc1C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000252527532 563916815 /nfs/dbraw/zinc/91/68/15/563916815.db2.gz CUPFPULXTITWIA-HOCLYGCPSA-N 0 0 303.450 3.957 10 0 DHAERN FC(F)(F)/C=C(/Br)C(F)(F)Br ZINC000096268949 563924235 /nfs/dbraw/zinc/92/42/35/563924235.db2.gz VDBSJDJYQXHGCV-OWOJBTEDSA-N 0 0 303.850 3.815 10 0 DHAERN O=C(c1ccc2cccc(O)c2n1)N1CCCc2ccccc21 ZINC000021717195 563936466 /nfs/dbraw/zinc/93/64/66/563936466.db2.gz KYNHVRRDRXGDQU-UHFFFAOYSA-N 0 0 304.349 3.533 10 0 DHAERN CC(C)C(=O)c1ccc([C@@H](C)C(=O)N2CCc3cnccc32)cc1 ZINC000225778533 563938557 /nfs/dbraw/zinc/93/85/57/563938557.db2.gz QSXOKFYPZBJKOF-CQSZACIVSA-N 0 0 322.408 3.613 10 0 DHAERN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722135615 955194263 /nfs/dbraw/zinc/19/42/63/955194263.db2.gz MVDJOFDGZGXYBT-JQWIXIFHSA-N 0 0 316.228 3.579 10 0 DHAERN C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])c1ccccc1Br ZINC000395808263 972832647 /nfs/dbraw/zinc/83/26/47/972832647.db2.gz JOOJSGGNQSJXHP-JTQLQIEISA-N 0 0 314.223 3.601 10 0 DHAERN O=C([O-])c1ccc(C[N@@H+]2CCC23CCCC3)c(Br)c1 ZINC000707214061 977376985 /nfs/dbraw/zinc/37/69/85/977376985.db2.gz GXRJNGGSVYDWOM-UHFFFAOYSA-N 0 0 324.218 3.666 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000091171161 1032435572 /nfs/dbraw/zinc/43/55/72/1032435572.db2.gz QMIDJEHDXXLIDC-QZTJIDSGSA-N 0 0 313.372 3.613 10 0 DHAERN Cc1nc(Cl)cc(N2CCC(Nc3ccccc3F)CC2)n1 ZINC000078370261 1017628619 /nfs/dbraw/zinc/62/86/19/1017628619.db2.gz LACSIOBNFMWWKF-UHFFFAOYSA-N 0 0 320.799 3.658 10 0 DHAERN O=C(Nc1ccc(F)cc1Br)[C@H]1C[C@H]1c1ccco1 ZINC000049374618 1025708897 /nfs/dbraw/zinc/70/88/97/1025708897.db2.gz LUVZCPLRXUXAIB-ZJUUUORDSA-N 0 0 324.149 3.923 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)C1CCCCC1 ZINC000062093893 1025937429 /nfs/dbraw/zinc/93/74/29/1025937429.db2.gz JCABZYBCVANSGJ-UHFFFAOYSA-N 0 0 312.413 3.889 10 0 DHAERN CC(C)[C@H](C)CC(=O)N1CCC(Nc2ccc(F)cc2)CC1 ZINC000069393899 1030550373 /nfs/dbraw/zinc/55/03/73/1030550373.db2.gz PVEWBVHMTHZEKV-CQSZACIVSA-N 0 0 306.425 3.911 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)[N@H+](Cc3nc(C(C)C)no3)C2)cc1 ZINC000076390244 1030789739 /nfs/dbraw/zinc/78/97/39/1030789739.db2.gz MPZZRAWXAFSUBX-UKRRQHHQSA-N 0 0 315.417 3.580 10 0 DHAERN O=C([C@H]1CCCn2ccnc21)N1CCC[C@@H](c2ccccc2)CC1 ZINC000080637045 1031421912 /nfs/dbraw/zinc/42/19/12/1031421912.db2.gz GBNQQMBYTHBWTG-MSOLQXFVSA-N 0 0 323.440 3.557 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H]1CCc2ccc(Br)cc21 ZINC000095635146 185382946 /nfs/dbraw/zinc/38/29/46/185382946.db2.gz YZEZLDIZHPBHGQ-GFCCVEGCSA-N 0 0 312.207 3.961 10 0 DHAERN CC(C)(C)OC(=O)NCCc1cc(C=O)cc(C(F)(F)F)c1 ZINC000095764882 185384031 /nfs/dbraw/zinc/38/40/31/185384031.db2.gz HMRLQOZBYWOJRX-UHFFFAOYSA-N 0 0 317.307 3.585 10 0 DHAERN FC(F)(F)c1cc(NCCc2ccccc2)nc(Cl)n1 ZINC000082501737 185187270 /nfs/dbraw/zinc/18/72/70/185187270.db2.gz DVCRHWOCGHVLRP-UHFFFAOYSA-N 0 0 301.699 3.803 10 0 DHAERN CCc1cnc(CN(C)C(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000083184431 185216997 /nfs/dbraw/zinc/21/69/97/185216997.db2.gz XHQPFZVSROOVSU-LLVKDONJSA-N 0 0 307.419 3.510 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1cc(Br)ccc1C ZINC000087408351 185224204 /nfs/dbraw/zinc/22/42/04/185224204.db2.gz JPPNZLSLHHTFGM-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN CCCCc1nc(Cl)c(CNCc2ccc(F)c(F)c2)[nH]1 ZINC000088399123 185248465 /nfs/dbraw/zinc/24/84/65/185248465.db2.gz ARBWRQRGKQLWAN-UHFFFAOYSA-N 0 0 313.779 3.974 10 0 DHAERN CC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(Cl)cc1 ZINC000090224904 185287418 /nfs/dbraw/zinc/28/74/18/185287418.db2.gz SAUILYNAKMISNS-HUUCEWRRSA-N 0 0 304.825 3.816 10 0 DHAERN CCOCc1ccc2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c1 ZINC000090473791 185298367 /nfs/dbraw/zinc/29/83/67/185298367.db2.gz RUCLCMOYHFBHKY-UHFFFAOYSA-N 0 0 324.332 3.725 10 0 DHAERN COC(=O)/C=C\c1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC000090513010 185300091 /nfs/dbraw/zinc/30/00/91/185300091.db2.gz VSMVLFKTUMKNRW-KTKRTIGZSA-N 0 0 301.342 3.611 10 0 DHAERN O=C(c1c[nH]c2ncc(Br)cc12)c1ccccc1F ZINC000090550591 185302488 /nfs/dbraw/zinc/30/24/88/185302488.db2.gz HZPPLRIJQVPRIH-UHFFFAOYSA-N 0 0 319.133 3.696 10 0 DHAERN O=C1CS[C@@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1 ZINC000090558311 185303285 /nfs/dbraw/zinc/30/32/85/185303285.db2.gz NYQIDUOYKRXGKJ-INIZCTEOSA-N 0 0 305.349 3.739 10 0 DHAERN Cc1nc(C[C@H]2CCCN(Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814149 185343575 /nfs/dbraw/zinc/34/35/75/185343575.db2.gz XRDRDYSKLBONJL-GFCCVEGCSA-N 0 0 323.799 3.625 10 0 DHAERN Cc1cc(C)c(CN2CCO[C@H](c3nccs3)C2)cc1C ZINC000092831196 185344568 /nfs/dbraw/zinc/34/45/68/185344568.db2.gz ZXZOBQAUXRVLOA-INIZCTEOSA-N 0 0 302.443 3.642 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3cccc(C)c3C)CCO2)n1 ZINC000092789990 185341627 /nfs/dbraw/zinc/34/16/27/185341627.db2.gz VJVKSVSNHWWSRP-INIZCTEOSA-N 0 0 302.443 3.642 10 0 DHAERN Cc1ccc(NC(=O)Cc2cccc(N)c2)cc1Br ZINC000020186109 190645782 /nfs/dbraw/zinc/64/57/82/190645782.db2.gz JUQILGNNZLAUJU-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000226349547 201776091 /nfs/dbraw/zinc/77/60/91/201776091.db2.gz KQZXNCQRUVLNOR-UHFFFAOYSA-N 0 0 304.777 3.962 10 0 DHAERN CCOc1ccc(C(=O)Nc2cc(Cl)c(C)cc2N)cc1 ZINC000226349481 201776833 /nfs/dbraw/zinc/77/68/33/201776833.db2.gz LKQMILFHUCBHFY-UHFFFAOYSA-N 0 0 304.777 3.882 10 0 DHAERN Cc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc1 ZINC000227145071 201793507 /nfs/dbraw/zinc/79/35/07/201793507.db2.gz CQGQPNLVPSRVQS-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN O=C(N[C@@H]1CCCc2occc21)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109084735 185550104 /nfs/dbraw/zinc/55/01/04/185550104.db2.gz UPVQUTZJLOMRNY-HEHGZKQESA-N 0 0 317.335 3.855 10 0 DHAERN O=C(NCCCOC1CCCC1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109095223 185551397 /nfs/dbraw/zinc/55/13/97/185551397.db2.gz OWZKEDMTWVYRIJ-CABCVRRESA-N 0 0 323.383 3.534 10 0 DHAERN CCCn1cc(Br)cc1C(=O)N[C@@H]1CCC[C@H]1C ZINC000071209627 190942737 /nfs/dbraw/zinc/94/27/37/190942737.db2.gz LYWIKDNTVOGHRY-ZYHUDNBSSA-N 0 0 313.239 3.579 10 0 DHAERN Cc1ccc(-c2nc(CCNC(=O)N[C@@H](C)C(C)C)co2)cc1 ZINC000072083861 191034406 /nfs/dbraw/zinc/03/44/06/191034406.db2.gz KRXCYJQWDIKNFR-AWEZNQCLSA-N 0 0 315.417 3.536 10 0 DHAERN N[C@H]1c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000139551817 186023196 /nfs/dbraw/zinc/02/31/96/186023196.db2.gz UZZJBCUTTTZBNE-AWEZNQCLSA-N 0 0 307.180 3.540 10 0 DHAERN N[C@H]1c2cc(Cl)ccc2N(Cc2cccc(Cl)c2)C1=O ZINC000139551073 186023356 /nfs/dbraw/zinc/02/33/56/186023356.db2.gz CFPQYSLWGPXMQL-AWEZNQCLSA-N 0 0 307.180 3.540 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2COc2ccccc2)O1 ZINC000150734288 186061606 /nfs/dbraw/zinc/06/16/06/186061606.db2.gz ZQARLFXDXIHDTK-KDOFPFPSSA-N 0 0 311.381 3.772 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2COc2ccccc2)O1 ZINC000150734276 186061649 /nfs/dbraw/zinc/06/16/49/186061649.db2.gz ZQARLFXDXIHDTK-KBXCAEBGSA-N 0 0 311.381 3.772 10 0 DHAERN Cn1nc(NC(=O)c2c(F)cccc2Cl)c2c1cccc2F ZINC000000114720 180696936 /nfs/dbraw/zinc/69/69/36/180696936.db2.gz XPUARGTZZAAOAN-UHFFFAOYSA-N 0 0 321.714 3.757 10 0 DHAERN C(=C/c1ccnc(N2CCc3ccccc3C2)n1)\c1ccco1 ZINC000072443620 191168394 /nfs/dbraw/zinc/16/83/94/191168394.db2.gz DFZBTFHUIABDRS-BQYQJAHWSA-N 0 0 303.365 3.803 10 0 DHAERN C[C@@H]1CCc2c(sc3ncn4c(-c5ccco5)nnc4c23)C1 ZINC000000132476 180703373 /nfs/dbraw/zinc/70/33/73/180703373.db2.gz IJTZUIFZYCKZDA-SECBINFHSA-N 0 0 310.382 3.724 10 0 DHAERN Fc1ccc2c(ncnc2Nc2cccc(Br)c2)n1 ZINC000003815374 181047205 /nfs/dbraw/zinc/04/72/05/181047205.db2.gz DVVACVMEJKXNQG-UHFFFAOYSA-N 0 0 319.137 3.670 10 0 DHAERN CN(C)c1ccc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1 ZINC000004134687 181077624 /nfs/dbraw/zinc/07/76/24/181077624.db2.gz VBFMJFQSXUNPAS-UHFFFAOYSA-N 0 0 324.409 3.523 10 0 DHAERN Fc1ccc(NC(=S)N[C@H]2C[C@H]3C[C@@H]2[C@H]2C=CC[C@@H]23)cc1 ZINC000004322420 181098025 /nfs/dbraw/zinc/09/80/25/181098025.db2.gz QGSKFVUMFGVPNT-IRHMCKRBSA-N 0 0 302.418 3.713 10 0 DHAERN Fc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1 ZINC000004499113 181115900 /nfs/dbraw/zinc/11/59/00/181115900.db2.gz GDEQIHSBCCMEHU-UHFFFAOYSA-N 0 0 322.303 3.639 10 0 DHAERN COc1ccc(-c2cc(=O)[nH]c(-c3ccc(Cl)cc3)n2)cc1 ZINC000073696400 191342596 /nfs/dbraw/zinc/34/25/96/191342596.db2.gz XTGJNMNIIVORDV-UHFFFAOYSA-N 0 0 312.756 3.766 10 0 DHAERN CCCNC(=O)[C@H](Nc1ccc(OCC)cc1)c1ccccc1 ZINC000005139170 181208559 /nfs/dbraw/zinc/20/85/59/181208559.db2.gz CDDQUHNTEZGWLP-GOSISDBHSA-N 0 0 312.413 3.765 10 0 DHAERN Cc1nc(SCc2ccc(C(F)(F)F)cc2)[nH]c(=O)c1C ZINC000005155306 181211093 /nfs/dbraw/zinc/21/10/93/181211093.db2.gz VALIYYSMYDOJKW-UHFFFAOYSA-N 0 0 314.332 3.698 10 0 DHAERN CCCN(CCC)C(=O)c1ccccc1NC(=O)c1ccco1 ZINC000005468248 181247479 /nfs/dbraw/zinc/24/74/79/181247479.db2.gz MHOZQQVBOJIOOC-UHFFFAOYSA-N 0 0 314.385 3.794 10 0 DHAERN CCNC(=O)O[C@H](c1nc2ccccc2o1)c1cccc(C)c1 ZINC000005573747 181259064 /nfs/dbraw/zinc/25/90/64/181259064.db2.gz ZAHDUHNBXCJVGP-INIZCTEOSA-N 0 0 310.353 3.972 10 0 DHAERN CC(C)(C)OC(=O)N1CC[C@H](CSCc2cncs2)C1 ZINC000085340144 192492391 /nfs/dbraw/zinc/49/23/91/192492391.db2.gz OOWSBMHUTPIZFV-NSHDSACASA-N 0 0 314.476 3.633 10 0 DHAERN CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000005654079 181268021 /nfs/dbraw/zinc/26/80/21/181268021.db2.gz RJCWEQLUZMPAIH-HKFUTYSHSA-N 0 0 317.429 3.802 10 0 DHAERN CCOc1ccc(/C=C/C(=O)N2CCCCCC2)cc1OC ZINC000005654071 181268202 /nfs/dbraw/zinc/26/82/02/181268202.db2.gz RYNMTGZHMPDVSQ-PKNBQFBNSA-N 0 0 303.402 3.510 10 0 DHAERN Cc1cccc(N2C(=O)S/C(=C\c3ccccc3O)C2=O)c1 ZINC000005747829 181280113 /nfs/dbraw/zinc/28/01/13/181280113.db2.gz JNQAQRGEPFRKEY-GDNBJRDFSA-N 0 0 311.362 3.942 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)Cc1csc(-c2ccoc2)n1 ZINC000081569540 192293478 /nfs/dbraw/zinc/29/34/78/192293478.db2.gz AGZKYTUORQBAAP-LLVKDONJSA-N 0 0 322.430 3.565 10 0 DHAERN CC[C@H](C)Oc1cc(N)nc(Sc2ccc(Cl)cc2N)n1 ZINC000005846500 181289143 /nfs/dbraw/zinc/28/91/43/181289143.db2.gz JRIOREGEACUPQJ-QMMMGPOBSA-N 0 0 324.837 3.623 10 0 DHAERN CC[C@H](C)Oc1cc(=O)[nH]c(Sc2ccccc2Cl)n1 ZINC000005885383 181292803 /nfs/dbraw/zinc/29/28/03/181292803.db2.gz DOFUBPSBMDJPNQ-VIFPVBQESA-N 0 0 310.806 3.752 10 0 DHAERN CC(C)c1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1 ZINC000005913185 181295600 /nfs/dbraw/zinc/29/56/00/181295600.db2.gz YFKBAHRDKRGJQA-UHFFFAOYSA-N 0 0 324.409 3.976 10 0 DHAERN CC(=O)N(C)c1ccc(NC(=O)/C(C)=C/c2ccccc2)cc1 ZINC000006191710 181318506 /nfs/dbraw/zinc/31/85/06/181318506.db2.gz BUURWYJELLLRSF-BUHFOSPRSA-N 0 0 308.381 3.711 10 0 DHAERN Cc1ccc(NC(=O)C(F)(F)F)c(C(=O)c2ccccc2)c1 ZINC000006189517 181318623 /nfs/dbraw/zinc/31/86/23/181318623.db2.gz XCGGKTQSQMLFII-UHFFFAOYSA-N 0 0 307.271 3.727 10 0 DHAERN Cc1cc(=O)oc2cc(OC(=O)/C=C/c3ccc(F)cc3)ccc12 ZINC000006390903 181336196 /nfs/dbraw/zinc/33/61/96/181336196.db2.gz MDLYIKDXGORDFZ-RUDMXATFSA-N 0 0 324.307 3.859 10 0 DHAERN CCc1nnc(CS[C@H]2CCc3c2cccc3Cl)n1C ZINC000091037136 192974648 /nfs/dbraw/zinc/97/46/48/192974648.db2.gz QJSAIUWSLXZBFI-ZDUSSCGKSA-N 0 0 307.850 3.952 10 0 DHAERN C[C@H](CCc1ccccc1)[NH2+]Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000006805618 181391714 /nfs/dbraw/zinc/39/17/14/181391714.db2.gz SNWCMEVQDIVJNJ-CQSZACIVSA-N 0 0 322.408 3.977 10 0 DHAERN COc1ccc(-c2ccc(Br)c(OC)c2)c(N)c1 ZINC000091692490 193092710 /nfs/dbraw/zinc/09/27/10/193092710.db2.gz FHFZTKKGDWBONS-UHFFFAOYSA-N 0 0 308.175 3.716 10 0 DHAERN CCCCOc1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000007366323 181458230 /nfs/dbraw/zinc/45/82/30/181458230.db2.gz FKFSSBFZIXQQJJ-UHFFFAOYSA-N 0 0 318.398 3.585 10 0 DHAERN CCOCCN(C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000093347424 193235912 /nfs/dbraw/zinc/23/59/12/193235912.db2.gz LNZBWDHZTBPHHX-AWEZNQCLSA-N 0 0 300.402 3.579 10 0 DHAERN CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccc(CC)cc2s1 ZINC000011071945 181684639 /nfs/dbraw/zinc/68/46/39/181684639.db2.gz WDQMOZGJEVOLEX-ZDUSSCGKSA-N 0 0 318.442 3.781 10 0 DHAERN Cc1sc2ncn([C@@H](C)C(=O)c3ccccc3)c(=O)c2c1C ZINC000011991089 181721685 /nfs/dbraw/zinc/72/16/85/181721685.db2.gz PDNABSGUCLSVDR-NSHDSACASA-N 0 0 312.394 3.519 10 0 DHAERN Cc1ccc(C(=O)NCc2cc(-c3ccc(F)cc3)on2)cc1 ZINC000012636641 181784915 /nfs/dbraw/zinc/78/49/15/181784915.db2.gz JTSWMRMFWPOVES-UHFFFAOYSA-N 0 0 310.328 3.719 10 0 DHAERN COC(=O)COc1cccc(/C=C/c2ccc3ccccc3n2)c1 ZINC000013727952 181885514 /nfs/dbraw/zinc/88/55/14/181885514.db2.gz ZDJMZZUUHCSCKL-PKNBQFBNSA-N 0 0 319.360 3.957 10 0 DHAERN CCOc1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1 ZINC000013837965 181905794 /nfs/dbraw/zinc/90/57/94/181905794.db2.gz DPJXYNCTSVBYRF-UHFFFAOYSA-N 0 0 307.806 3.943 10 0 DHAERN Cc1cc(C)n(C(=O)c2ccc(OCc3ccccc3)cc2)n1 ZINC000014028135 181920940 /nfs/dbraw/zinc/92/09/40/181920940.db2.gz HGHBMXPKDKJRQH-UHFFFAOYSA-N 0 0 306.365 3.767 10 0 DHAERN COc1ccc(CC(=O)Oc2ccc3ccccc3c2C=O)cc1 ZINC000014015715 181919955 /nfs/dbraw/zinc/91/99/55/181919955.db2.gz DIMYAIIHCZWQIX-UHFFFAOYSA-N 0 0 320.344 3.809 10 0 DHAERN C[C@@]12CCc3occc3[C@@H]1CC[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 ZINC000014918949 181975977 /nfs/dbraw/zinc/97/59/77/181975977.db2.gz DNJVYWXIDISQRD-UFUHNIBOSA-N 0 0 316.441 3.639 10 0 DHAERN CCCc1nc(SC)ncc1C(=O)NCCC1=CCCCC1 ZINC000015681182 182012608 /nfs/dbraw/zinc/01/26/08/182012608.db2.gz ZYQBUPMPYMJKHC-UHFFFAOYSA-N 0 0 319.474 3.771 10 0 DHAERN Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000016504803 182047231 /nfs/dbraw/zinc/04/72/31/182047231.db2.gz XIPFMOKEOTWFSJ-AWEZNQCLSA-N 0 0 318.417 3.581 10 0 DHAERN Cc1ccc(NC(=O)c2cccc(C)c2N)c(Br)c1 ZINC000019274813 182111959 /nfs/dbraw/zinc/11/19/59/182111959.db2.gz LCLBERWQQSWSLZ-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Nc1ccc(Cl)cc1C(=O)Nc1ccc(F)c(F)c1F ZINC000019232198 182110037 /nfs/dbraw/zinc/11/00/37/182110037.db2.gz AYVGMOGRGXUBSP-UHFFFAOYSA-N 0 0 300.667 3.592 10 0 DHAERN Cc1nn(-c2cccc(C)c2)c2ncc(Br)cc12 ZINC000019519639 182127109 /nfs/dbraw/zinc/12/71/09/182127109.db2.gz XAUHVWKSWVFAOA-UHFFFAOYSA-N 0 0 302.175 3.800 10 0 DHAERN Nc1ccc2oc(-c3ccc(F)cc3Br)nc2c1 ZINC000019516433 182127161 /nfs/dbraw/zinc/12/71/61/182127161.db2.gz VLBBYZALLNRSPO-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN Nc1ccc(F)cc1OCc1ccc(F)c(Br)c1 ZINC000019442265 182123475 /nfs/dbraw/zinc/12/34/75/182123475.db2.gz OSCUPEGHHYKRAJ-UHFFFAOYSA-N 0 0 314.129 3.889 10 0 DHAERN CCCC(=O)Nc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000019814549 182153538 /nfs/dbraw/zinc/15/35/38/182153538.db2.gz XRYYVZYMYVEZBC-UHFFFAOYSA-N 0 0 324.380 3.880 10 0 DHAERN Nc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)c(Cl)c1 ZINC000020182715 182195121 /nfs/dbraw/zinc/19/51/21/182195121.db2.gz LBEKGUCKHCFMFZ-UHFFFAOYSA-N 0 0 307.180 3.779 10 0 DHAERN C[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1 ZINC000020307589 182205266 /nfs/dbraw/zinc/20/52/66/182205266.db2.gz NRPNPPUXDJLJJI-SECBINFHSA-N 0 0 301.217 3.853 10 0 DHAERN CCc1cccc(OCC(=O)Nc2cc(N)ccc2Cl)c1 ZINC000020344538 182209779 /nfs/dbraw/zinc/20/97/79/182209779.db2.gz FJORJUBVLIKNRU-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1N ZINC000020345136 182209919 /nfs/dbraw/zinc/20/99/19/182209919.db2.gz XNCNZMLJEFKMHS-RUDMXATFSA-N 0 0 302.761 3.583 10 0 DHAERN Cc1cc(N)ccc1NC(=O)Cc1ccc(Br)cc1 ZINC000022175154 182312310 /nfs/dbraw/zinc/31/23/10/182312310.db2.gz TXMVMNZIYJEZNT-UHFFFAOYSA-N 0 0 319.202 3.521 10 0 DHAERN COc1ccc(C(=O)N[C@H](C)c2cccc(Cl)c2)c(O)c1 ZINC000023482610 182362529 /nfs/dbraw/zinc/36/25/29/182362529.db2.gz XXBQTARKTFXRNK-SNVBAGLBSA-N 0 0 305.761 3.545 10 0 DHAERN C[C@@H](Cc1cccs1)N(C)c1cncc(Br)c1 ZINC000135312703 335029292 /nfs/dbraw/zinc/02/92/92/335029292.db2.gz NWZFAKKEZXURCI-JTQLQIEISA-N 0 0 311.248 3.973 10 0 DHAERN O=C(C=Cc1ccccc1)NC(=S)NCCC1=CCCCC1 ZINC000034921272 182744644 /nfs/dbraw/zinc/74/46/44/182744644.db2.gz LRKCZILLZBMNAW-QXMHVHEDSA-N 0 0 314.454 3.581 10 0 DHAERN CCc1cccc(OCc2nc(C(=O)NCC(C)C)cs2)c1 ZINC000036084119 182796270 /nfs/dbraw/zinc/79/62/70/182796270.db2.gz KHYQNJHYJMNDNE-UHFFFAOYSA-N 0 0 318.442 3.670 10 0 DHAERN Nc1n[nH]c(-c2ccoc2)c1-c1cccc(Br)c1 ZINC000036766143 182842434 /nfs/dbraw/zinc/84/24/34/182842434.db2.gz UMAQTUDQGJMUGA-UHFFFAOYSA-N 0 0 304.147 3.681 10 0 DHAERN COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)cc1N ZINC000037337654 182883419 /nfs/dbraw/zinc/88/34/19/182883419.db2.gz ZTADOTAPVMECKG-UHFFFAOYSA-N 0 0 301.289 3.803 10 0 DHAERN COc1ccc(C(=O)c2ccccc2OC)cc1Br ZINC000037362950 182883933 /nfs/dbraw/zinc/88/39/33/182883933.db2.gz SXPXKFYPCURMPA-UHFFFAOYSA-N 0 0 321.170 3.697 10 0 DHAERN O[C@@]1(Cc2ccccc2Br)CCc2ccccc21 ZINC000037530405 182904493 /nfs/dbraw/zinc/90/44/93/182904493.db2.gz WPPKRBSCDGHQEF-MRXNPFEDSA-N 0 0 303.199 3.826 10 0 DHAERN Cn1ccc(N[C@H]2CCCOc3cc(Br)ccc32)n1 ZINC000037560812 182907666 /nfs/dbraw/zinc/90/76/66/182907666.db2.gz WKAMBVGHRIQAJP-LBPRGKRZSA-N 0 0 322.206 3.508 10 0 DHAERN CCOC(=O)[C@@H](CC(C)C)Nc1ccc(Br)cc1 ZINC000037960562 182943400 /nfs/dbraw/zinc/94/34/00/182943400.db2.gz RRZQBKVMOZSTQV-CYBMUJFWSA-N 0 0 314.223 3.839 10 0 DHAERN O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)c1cccnc1Cl ZINC000037981246 182951529 /nfs/dbraw/zinc/95/15/29/182951529.db2.gz UAGCBTZHWYQYPJ-VHSXEESVSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1ccc(CN(C(=O)c2ccc(Cl)nc2)C2CC2)cc1 ZINC000037983894 182953951 /nfs/dbraw/zinc/95/39/51/182953951.db2.gz BQYWCMNBZLBXJR-UHFFFAOYSA-N 0 0 300.789 3.848 10 0 DHAERN CCc1c(C)nc(-c2ccc3c(c2)OCCCO3)nc1Cl ZINC000038004072 182959641 /nfs/dbraw/zinc/95/96/41/182959641.db2.gz JXVILWQGUZEZBG-UHFFFAOYSA-N 0 0 304.777 3.829 10 0 DHAERN Brc1nc(CSc2ccccc2)n2ccncc12 ZINC000038888756 183012278 /nfs/dbraw/zinc/01/22/78/183012278.db2.gz YEBGBOAIJBHTQX-UHFFFAOYSA-N 0 0 320.215 3.784 10 0 DHAERN CC(C)n1c2ccc(N(C)C)cc2c(-c2ccccc2)nc1=O ZINC000039417607 183018616 /nfs/dbraw/zinc/01/86/16/183018616.db2.gz WRAYOMVGECIHRK-UHFFFAOYSA-N 0 0 307.397 3.710 10 0 DHAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)N1CCCC1 ZINC000040239571 183048673 /nfs/dbraw/zinc/04/86/73/183048673.db2.gz LPSMRVBFGVBYPJ-UHFFFAOYSA-N 0 0 319.408 3.634 10 0 DHAERN CC(C)NC(=O)Cn1c(/C=C/c2ccccc2)nc2ccccc21 ZINC000040300724 183053090 /nfs/dbraw/zinc/05/30/90/183053090.db2.gz MJOUISWGCDENCO-OUKQBFOZSA-N 0 0 319.408 3.731 10 0 DHAERN O=C(NCc1cc(-c2ccc(Cl)cc2)no1)c1ccccc1 ZINC000040323447 183054415 /nfs/dbraw/zinc/05/44/15/183054415.db2.gz ZPISWDYAKZKLTQ-UHFFFAOYSA-N 0 0 312.756 3.925 10 0 DHAERN COCCn1c2ccc(C(F)(F)F)cc2nc1-c1ccco1 ZINC000040404519 183062292 /nfs/dbraw/zinc/06/22/92/183062292.db2.gz DHOSYPOBVMPQML-UHFFFAOYSA-N 0 0 310.275 3.962 10 0 DHAERN COCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409587 183063017 /nfs/dbraw/zinc/06/30/17/183063017.db2.gz GUHQSEWBEOKJEI-UHFFFAOYSA-N 0 0 310.275 3.843 10 0 DHAERN COCCCCCNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000101996329 193854350 /nfs/dbraw/zinc/85/43/50/193854350.db2.gz OCXBPWKPUQAUQZ-NSHDSACASA-N 0 0 316.804 3.656 10 0 DHAERN CCN(CC)c1ncnc(Oc2ccc3ccccc3c2)c1N ZINC000040687738 183117900 /nfs/dbraw/zinc/11/79/00/183117900.db2.gz NIMSVYDQHCDOJH-UHFFFAOYSA-N 0 0 308.385 3.851 10 0 DHAERN CNc1ncnc(Nc2ccc(Cl)c(C(F)(F)F)c2)c1N ZINC000040707084 183121373 /nfs/dbraw/zinc/12/13/73/183121373.db2.gz VIASNFNSACWVRN-UHFFFAOYSA-N 0 0 317.702 3.516 10 0 DHAERN Cc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2N)cc1C ZINC000040702802 183120111 /nfs/dbraw/zinc/12/01/11/183120111.db2.gz SOFYVCREDCPFNT-UHFFFAOYSA-N 0 0 320.400 3.858 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cc(C)ccc3C)c2N)nc1 ZINC000040704676 183120798 /nfs/dbraw/zinc/12/07/98/183120798.db2.gz DYCHALGCZXVTPA-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccc(Oc2ncnc(Nc3ccccn3)c2N)cc1C ZINC000040779261 183133173 /nfs/dbraw/zinc/13/31/73/183133173.db2.gz LEONPPJWTIWWAE-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(Nc2ccccc2)c1N ZINC000040735645 183126240 /nfs/dbraw/zinc/12/62/40/183126240.db2.gz NXSRROCEJBYLPI-UHFFFAOYSA-N 0 0 313.449 3.921 10 0 DHAERN Cc1ccccc1Nc1ncnc(Nc2ncccc2C)c1N ZINC000040758022 183129357 /nfs/dbraw/zinc/12/93/57/183129357.db2.gz IRCHTXZKVOZDLD-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccc(Nc2ncnc(N(C)c3ccccc3)c2N)cc1 ZINC000040757758 183129703 /nfs/dbraw/zinc/12/97/03/183129703.db2.gz UMDZIURYLVDJLW-UHFFFAOYSA-N 0 0 321.384 3.579 10 0 DHAERN O=C(Nc1nnc([C@H]2CCCO2)s1)Nc1cccc(Cl)c1 ZINC000040897719 183146967 /nfs/dbraw/zinc/14/69/67/183146967.db2.gz GGVVBNFTSJEJHQ-SNVBAGLBSA-N 0 0 324.793 3.687 10 0 DHAERN COc1cccc(C(=O)Nc2ccnc3c(F)cc(F)cc23)c1 ZINC000041058177 183160849 /nfs/dbraw/zinc/16/08/49/183160849.db2.gz CJLWVMPRPZMQNX-UHFFFAOYSA-N 0 0 314.291 3.774 10 0 DHAERN CC(C)(C)c1ccc(CS(=O)(=O)c2ccc(N)cc2)cc1 ZINC000041518063 183196944 /nfs/dbraw/zinc/19/69/44/183196944.db2.gz YJLONBNFQZBBHP-UHFFFAOYSA-N 0 0 303.427 3.540 10 0 DHAERN COc1ccccc1C[C@@H](O)c1cccc(Br)c1 ZINC000041538326 183200223 /nfs/dbraw/zinc/20/02/23/183200223.db2.gz HYVHXMDSEUHVLK-CQSZACIVSA-N 0 0 307.187 3.734 10 0 DHAERN OC[C@@H](Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000041542923 183201421 /nfs/dbraw/zinc/20/14/21/183201421.db2.gz VVMIBVIQODOLOA-CYBMUJFWSA-N 0 0 309.178 3.907 10 0 DHAERN Nc1cc(Br)cc2nc(Cc3ccccc3)oc21 ZINC000041569813 183204365 /nfs/dbraw/zinc/20/43/65/183204365.db2.gz KQUHWMWWQZYNPQ-UHFFFAOYSA-N 0 0 303.159 3.763 10 0 DHAERN CCC(CC)N(CCO)C(=O)c1c(Cl)cccc1Cl ZINC000042506539 183278091 /nfs/dbraw/zinc/27/80/91/183278091.db2.gz PBGSJBXMRBYEDR-UHFFFAOYSA-N 0 0 304.217 3.617 10 0 DHAERN CN(Cc1cc(Br)cs1)c1cc(N)cc(F)c1 ZINC000042399261 183263903 /nfs/dbraw/zinc/26/39/03/183263903.db2.gz NEJORGSRFWNQPD-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN NC(=S)CCN(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000042546569 183283042 /nfs/dbraw/zinc/28/30/42/183283042.db2.gz CYJDLYOSZXJEDC-UHFFFAOYSA-N 0 0 303.258 3.634 10 0 DHAERN CC[C@@H](NC(=O)c1cc(OC)ccc1Br)C(C)C ZINC000042550728 183283932 /nfs/dbraw/zinc/28/39/32/183283932.db2.gz LRUNFHHFFUMWTH-CYBMUJFWSA-N 0 0 314.223 3.622 10 0 DHAERN C[C@H](Cc1ccsc1)Nc1ncc(Br)cc1N ZINC000042599414 183289545 /nfs/dbraw/zinc/28/95/45/183289545.db2.gz RAZXCXZIYWQBMS-MRVPVSSYSA-N 0 0 312.236 3.531 10 0 DHAERN CC[C@H](NC(=O)c1cc(Br)cn1C(C)C)C(C)C ZINC000042593509 183289666 /nfs/dbraw/zinc/28/96/66/183289666.db2.gz HTBRQVHMUGPDFN-LBPRGKRZSA-N 0 0 315.255 3.996 10 0 DHAERN CCN(CC(=O)c1cc(Cl)sc1Cl)[C@H](C)COC ZINC000042775380 183307487 /nfs/dbraw/zinc/30/74/87/183307487.db2.gz AMGBCJCRYDCCGW-MRVPVSSYSA-N 0 0 310.246 3.594 10 0 DHAERN Cc1nn([C@@H](C)c2cccc(Cl)c2)c(N)c1Br ZINC000043668260 183378160 /nfs/dbraw/zinc/37/81/60/183378160.db2.gz AHONWNBFMBAPAH-QMMMGPOBSA-N 0 0 314.614 3.799 10 0 DHAERN Cc1ccc([C@H](C)n2nc(C)c(Br)c2N)s1 ZINC000043668543 183378359 /nfs/dbraw/zinc/37/83/59/183378359.db2.gz LIRHGRMHUZKFFB-QMMMGPOBSA-N 0 0 300.225 3.515 10 0 DHAERN Nc1ccc(SCc2cc(Br)cs2)cn1 ZINC000043687594 183381270 /nfs/dbraw/zinc/38/12/70/183381270.db2.gz RYBIMLJSBRRJTM-UHFFFAOYSA-N 0 0 301.234 3.780 10 0 DHAERN CC(C)(C)OC(=O)N1CCC2(CC(=O)c3cccc(F)c32)CC1 ZINC000044136741 183396491 /nfs/dbraw/zinc/39/64/91/183396491.db2.gz AUJWYBMCPFDCNJ-UHFFFAOYSA-N 0 0 319.376 3.681 10 0 DHAERN O=C1Nc2ccccc2C1=CNc1ccccc1Br ZINC000103775763 193959357 /nfs/dbraw/zinc/95/93/57/193959357.db2.gz OJLAPMZIIYDFFQ-PKNBQFBNSA-N 0 0 315.170 3.854 10 0 DHAERN CCc1c(C)[nH]c2nnc(-c3ccc(Cl)cc3Cl)n2c1=O ZINC000104481515 194010383 /nfs/dbraw/zinc/01/03/83/194010383.db2.gz BUNLRRSEPIZUTH-UHFFFAOYSA-N 0 0 323.183 3.675 10 0 DHAERN CC(=O)Nc1ccc(Nc2cc(C)nc3nc(C)ccc32)cc1 ZINC000047162430 183582477 /nfs/dbraw/zinc/58/24/77/183582477.db2.gz USIAENKKCFWGBD-UHFFFAOYSA-N 0 0 306.369 3.949 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000105851368 194146572 /nfs/dbraw/zinc/14/65/72/194146572.db2.gz AHMACZASVKYEBI-KRWDZBQOSA-N 0 0 311.429 3.540 10 0 DHAERN COc1ccsc1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000106012103 194178909 /nfs/dbraw/zinc/17/89/09/194178909.db2.gz WWKWGZJXLGHUOK-RKDXNWHRSA-N 0 0 307.337 3.608 10 0 DHAERN COc1ccc(-c2nnc(-c3ccc(F)c(F)c3F)o2)c(F)c1 ZINC000049054113 183707077 /nfs/dbraw/zinc/70/70/77/183707077.db2.gz CDJWQJCSZSNKSF-UHFFFAOYSA-N 0 0 324.233 3.969 10 0 DHAERN Nc1cnn(CCOc2c(Cl)cc(Cl)cc2Cl)c1 ZINC000050615164 183791345 /nfs/dbraw/zinc/79/13/45/183791345.db2.gz RSAGHLBZUUBHFM-UHFFFAOYSA-N 0 0 306.580 3.505 10 0 DHAERN COC(=O)[C@H](C(C)C)[C@@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000052252872 183855837 /nfs/dbraw/zinc/85/58/37/183855837.db2.gz UMXGREHRSKFMHX-JSGCOSHPSA-N 0 0 305.201 3.646 10 0 DHAERN CC(C)(C)c1ncc(-c2ccc(Br)cc2)c(N)n1 ZINC000061675320 184181718 /nfs/dbraw/zinc/18/17/18/184181718.db2.gz ZDHVDMIHYDHCBJ-UHFFFAOYSA-N 0 0 306.207 3.786 10 0 DHAERN CC(=O)c1ccc(N(C)Cc2ccncc2)c(Br)c1 ZINC000061693707 184183442 /nfs/dbraw/zinc/18/34/42/184183442.db2.gz QPLFOCUTRCBRAU-UHFFFAOYSA-N 0 0 319.202 3.683 10 0 DHAERN CC(C)c1ccn(-c2ccc([C@H](C)O)cc2Br)n1 ZINC000061697306 184183934 /nfs/dbraw/zinc/18/39/34/184183934.db2.gz DQDCQAQXDDKRGJ-JTQLQIEISA-N 0 0 309.207 3.812 10 0 DHAERN CCCn1ccnc1CNc1cc(Br)ccc1F ZINC000061877596 184192262 /nfs/dbraw/zinc/19/22/62/184192262.db2.gz WLKVEASWQFWAGY-UHFFFAOYSA-N 0 0 312.186 3.807 10 0 DHAERN CC[C@H](C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O ZINC000064361675 184295504 /nfs/dbraw/zinc/29/55/04/184295504.db2.gz JUVRJNYFHAUUEF-LBPRGKRZSA-N 0 0 311.381 3.767 10 0 DHAERN Cc1ccccc1-c1noc(Cc2nnc(-c3ccccc3)o2)n1 ZINC000065185340 184314147 /nfs/dbraw/zinc/31/41/47/184314147.db2.gz OBCUMXQDLMWTAU-UHFFFAOYSA-N 0 0 318.336 3.686 10 0 DHAERN CCc1nnc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cccn12 ZINC000065228193 184315513 /nfs/dbraw/zinc/31/55/13/184315513.db2.gz YKESOJAMSJGUCC-UHFFFAOYSA-N 0 0 322.412 3.842 10 0 DHAERN CCc1noc(-c2cnc3nc(C)ccc3c2NCC(C)C)n1 ZINC000065250620 184318864 /nfs/dbraw/zinc/31/88/64/184318864.db2.gz GIPRMBTVRVYEBO-UHFFFAOYSA-N 0 0 311.389 3.619 10 0 DHAERN CCN(CC)c1cc(CCC(=O)Nc2ccccc2C)ccn1 ZINC000065269927 184320247 /nfs/dbraw/zinc/32/02/47/184320247.db2.gz WPQPLJYBDBZIFT-UHFFFAOYSA-N 0 0 311.429 3.808 10 0 DHAERN COc1ccc(-c2cc(O)cc(Br)c2)cc1OC ZINC000065343887 184325319 /nfs/dbraw/zinc/32/53/19/184325319.db2.gz QJSAKTYTAIFLRN-UHFFFAOYSA-N 0 0 309.159 3.839 10 0 DHAERN CC(C)C(=O)Nc1cccc(-n2ccnc2-c2cccnc2)c1 ZINC000065496584 184355053 /nfs/dbraw/zinc/35/50/53/184355053.db2.gz VHDUVQNSKSKTOS-UHFFFAOYSA-N 0 0 306.369 3.529 10 0 DHAERN CCCOc1ccc(C(=O)OC(C)C)cc1Br ZINC000066056771 184386043 /nfs/dbraw/zinc/38/60/43/184386043.db2.gz YDBGOLGZZFLZGF-UHFFFAOYSA-N 0 0 301.180 3.803 10 0 DHAERN CC(C)OC[C@@H]1CCC[C@@]12CN(Cc1ccsc1)CCO2 ZINC000253377505 257106099 /nfs/dbraw/zinc/10/60/99/257106099.db2.gz XHOGDJWZYCYWIX-DLBZAZTESA-N 0 0 309.475 3.544 10 0 DHAERN C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000298315683 132056000 /nfs/dbraw/zinc/05/60/00/132056000.db2.gz QTWFEQWWUFGDLX-SLEUVZQESA-N 0 0 310.825 3.610 10 0 DHAERN Fc1ccc(N2CCCN(c3ccnc(Cl)c3)CC2)cc1 ZINC000122527335 132166054 /nfs/dbraw/zinc/16/60/54/132166054.db2.gz DDVMHOVMSAPZJU-UHFFFAOYSA-N 0 0 305.784 3.591 10 0 DHAERN CC1(C)C[C@@H](NC(=O)Nc2ccc3cc[nH]c3c2)C(C)(C)O1 ZINC000194278456 335065144 /nfs/dbraw/zinc/06/51/44/335065144.db2.gz ULJGGMOSGJVXJG-CQSZACIVSA-N 0 0 301.390 3.636 10 0 DHAERN Cc1ccc(NC(=O)C2CCCC2)cc1N1CCCCC1=O ZINC000005441755 134471366 /nfs/dbraw/zinc/47/13/66/134471366.db2.gz AUBPVKVKEOJAPV-UHFFFAOYSA-N 0 0 300.402 3.641 10 0 DHAERN CC[C@@H]1Oc2ccc(N)cc2N(Cc2ccc(Cl)cc2)C1=O ZINC000019954226 134641235 /nfs/dbraw/zinc/64/12/35/134641235.db2.gz LYZQRAKWBDXCMT-HNNXBMFYSA-N 0 0 316.788 3.626 10 0 DHAERN CCCN(C[C@H]1CCCCO1)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194312061 335066917 /nfs/dbraw/zinc/06/69/17/335066917.db2.gz GKSXEKVUADLCAF-MRXNPFEDSA-N 0 0 315.417 3.981 10 0 DHAERN C[C@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000129204818 196028737 /nfs/dbraw/zinc/02/87/37/196028737.db2.gz IZGOXDBOYVYMIT-RDTXWAMCSA-N 0 0 309.413 3.862 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCSc3ncccc32)CC(C)(C)C1 ZINC000180753568 331577108 /nfs/dbraw/zinc/57/71/08/331577108.db2.gz ZZZAHZAPCCNHGH-CHWSQXEVSA-N 0 0 304.459 3.983 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)Nc1cc(F)ccc1Br ZINC000230059100 331637099 /nfs/dbraw/zinc/63/70/99/331637099.db2.gz HSKVNMOSWRHKOW-PSASIEDQSA-N 0 0 300.171 3.963 10 0 DHAERN O=C(/C=C\c1ccnc(Cl)c1)N1CCC[C@H]1c1ccco1 ZINC000255172529 331722291 /nfs/dbraw/zinc/72/22/91/331722291.db2.gz JGPXVLRSKOENFY-SZZPACECSA-N 0 0 302.761 3.705 10 0 DHAERN Cc1cncc(/C=C\C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000255871868 331811634 /nfs/dbraw/zinc/81/16/34/331811634.db2.gz LIUBSXIRFCTEJF-XZVRFQMRSA-N 0 0 322.408 3.822 10 0 DHAERN C[C@@H](NC(=O)CCC(F)(F)F)c1cccc(Br)c1 ZINC000088833846 332058244 /nfs/dbraw/zinc/05/82/44/332058244.db2.gz ODTJLUGZYZZRRQ-MRVPVSSYSA-N 0 0 324.140 3.969 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2ccc(Br)c(O)c2)o1 ZINC000132950747 332135929 /nfs/dbraw/zinc/13/59/29/332135929.db2.gz GKPPQVZURWEPIU-VIFPVBQESA-N 0 0 324.174 3.547 10 0 DHAERN CCOC(=O)c1csc(N[C@@H](C)c2ccc(C)c(F)c2)n1 ZINC000133163127 332137928 /nfs/dbraw/zinc/13/79/28/332137928.db2.gz BNGYPGGLEDYDTQ-JTQLQIEISA-N 0 0 308.378 3.940 10 0 DHAERN CC[C@H](C)[C@H](C)C(=O)NC1(c2noc(C(C)C)n2)CCCC1 ZINC000180901452 332144910 /nfs/dbraw/zinc/14/49/10/332144910.db2.gz PVSQOXYLYIHNCV-STQMWFEESA-N 0 0 307.438 3.761 10 0 DHAERN CCNC(=O)C(C)(C)C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000181136484 332179767 /nfs/dbraw/zinc/17/97/67/332179767.db2.gz NOQGQTYDBRFWOK-IBGZPJMESA-N 0 0 324.468 3.836 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC[C@@H]1CCCCO1)[C@@H](C)C2 ZINC000181238573 332187783 /nfs/dbraw/zinc/18/77/83/332187783.db2.gz DXECJVXYHFXKOS-URLQWDBASA-N 0 0 301.430 3.694 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)Cc1noc3ccccc13)[C@@H](C)C2 ZINC000181245221 332187823 /nfs/dbraw/zinc/18/78/23/332187823.db2.gz YBAQMQSROZTSHE-RBZFPXEDSA-N 0 0 320.392 3.728 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCC1CCOCC1)[C@@H](C)C2 ZINC000181247383 332187986 /nfs/dbraw/zinc/18/79/86/332187986.db2.gz DWFOFVBIPMCFJX-IFXJQAMLSA-N 0 0 301.430 3.551 10 0 DHAERN Nc1ccc2c(c1)CCC[C@H]2Nc1ccc(C(F)(F)F)nn1 ZINC000261833312 332467215 /nfs/dbraw/zinc/46/72/15/332467215.db2.gz BMCXPEXVDCDUGM-GFCCVEGCSA-N 0 0 308.307 3.567 10 0 DHAERN Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1 ZINC000151595703 332592593 /nfs/dbraw/zinc/59/25/93/332592593.db2.gz PDAMJXCLDWDQOQ-KBXCAEBGSA-N 0 0 322.408 3.688 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCCc2ccccn2)cc1 ZINC000053517746 332969471 /nfs/dbraw/zinc/96/94/71/332969471.db2.gz RBSUZWXTKOQQSW-HNNXBMFYSA-N 0 0 311.429 3.808 10 0 DHAERN CC(C)[C@@H](O)Cc1nc(Cc2ccc(Cl)c(Cl)c2)no1 ZINC000109491796 333014671 /nfs/dbraw/zinc/01/46/71/333014671.db2.gz WFZAGQYPUSZZIF-LBPRGKRZSA-N 0 0 315.200 3.527 10 0 DHAERN Cc1nc2c(cnn2C)c(N[C@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000178609069 333016692 /nfs/dbraw/zinc/01/66/92/333016692.db2.gz JKFQTJXVLBZDGO-BZNIZROVSA-N 0 0 307.401 3.722 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000171730508 333053361 /nfs/dbraw/zinc/05/33/61/333053361.db2.gz CPIRBXSVWOUXAD-OCCSQVGLSA-N 0 0 303.431 3.576 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N(CC(F)(F)F)C1CC1 ZINC000171748864 333053963 /nfs/dbraw/zinc/05/39/63/333053963.db2.gz NRSLOOQODBFTAR-GHMZBOCLSA-N 0 0 319.273 3.622 10 0 DHAERN CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1cccs1 ZINC000172345633 333061922 /nfs/dbraw/zinc/06/19/22/333061922.db2.gz NHYSLOYPXLJGHA-TZMCWYRMSA-N 0 0 303.431 3.997 10 0 DHAERN CS[C@H](C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1 ZINC000172362540 333062108 /nfs/dbraw/zinc/06/21/08/333062108.db2.gz DHFQUICIDFDCNW-WBVHZDCISA-N 0 0 313.422 3.731 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)NCCc1cccc(Br)c1 ZINC000314157174 333090330 /nfs/dbraw/zinc/09/03/30/333090330.db2.gz GQLCKUFQBRNIJV-BXUZGUMPSA-N 0 0 310.235 3.544 10 0 DHAERN C[C@H]1Sc2ccccc2N(Cc2nnc(C3CC3)n2C)[C@H]1C ZINC000177343792 333127451 /nfs/dbraw/zinc/12/74/51/333127451.db2.gz COHVNDOPEBXDLI-NWDGAFQWSA-N 0 0 314.458 3.582 10 0 DHAERN CC[C@@H](C)N(C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000178218307 333136160 /nfs/dbraw/zinc/13/61/60/333136160.db2.gz VRMKSMTVAPGMPC-YPMHNXCESA-N 0 0 302.340 3.600 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000178453030 333139041 /nfs/dbraw/zinc/13/90/41/333139041.db2.gz LAUFKZOUTSKCLB-ZDUSSCGKSA-N 0 0 300.450 3.755 10 0 DHAERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H]1CCCO[C@H]1C ZINC000187828891 333150027 /nfs/dbraw/zinc/15/00/27/333150027.db2.gz ZBBOQVKNOVQERF-XEZPLFJOSA-N 0 0 309.837 3.545 10 0 DHAERN CO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC[C@@H]1C ZINC000188116372 333159894 /nfs/dbraw/zinc/15/98/94/333159894.db2.gz KTAAPZRPDAESAZ-JEDBISTDSA-N 0 0 315.457 3.797 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)[C@H](C)C2 ZINC000182189741 333183045 /nfs/dbraw/zinc/18/30/45/333183045.db2.gz HDVQCTQRZJXXPY-ACJLOTCBSA-N 0 0 311.429 3.515 10 0 DHAERN COCc1ccsc1C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182196449 333183439 /nfs/dbraw/zinc/18/34/39/333183439.db2.gz KBOIORSEALOBPL-LRDDRELGSA-N 0 0 315.438 3.866 10 0 DHAERN C[C@@H](C(=O)N[C@@H]1COc2ccccc21)c1cn(C)c2ccccc12 ZINC000185191056 333205615 /nfs/dbraw/zinc/20/56/15/333205615.db2.gz GQYHOAPTDYZBDG-CXAGYDPISA-N 0 0 320.392 3.532 10 0 DHAERN COCc1ccccc1C(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182219888 333205811 /nfs/dbraw/zinc/20/58/11/333205811.db2.gz PCCRIXBONWNVPW-AUUYWEPGSA-N 0 0 309.409 3.805 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000188406965 333246663 /nfs/dbraw/zinc/24/66/63/333246663.db2.gz YOWMMILQYKEUQW-GWCFXTLKSA-N 0 0 301.308 3.545 10 0 DHAERN Cc1ccc(-c2ccncc2)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191019339 333276745 /nfs/dbraw/zinc/27/67/45/333276745.db2.gz UFUYQSBHBFMWOL-RHSMWYFYSA-N 0 0 310.397 3.811 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCCc2cc(C)c(O)c(C)c2)o1 ZINC000188500691 333368849 /nfs/dbraw/zinc/36/88/49/333368849.db2.gz QJWGEGCWHSLNMC-CQSZACIVSA-N 0 0 316.401 3.513 10 0 DHAERN COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1C ZINC000187143476 333422116 /nfs/dbraw/zinc/42/21/16/333422116.db2.gz JBIOBWLVZHPHIR-UONOGXRCSA-N 0 0 313.401 3.520 10 0 DHAERN C[C@@H](NC(=O)c1c[nH]nc1-c1ccsc1)c1cccs1 ZINC000187215080 333426756 /nfs/dbraw/zinc/42/67/56/333426756.db2.gz ULDWMIOBVWXWSB-SECBINFHSA-N 0 0 303.412 3.691 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc(Cl)n1 ZINC000125682198 333512166 /nfs/dbraw/zinc/51/21/66/333512166.db2.gz JEORJQBKENINKI-WDEREUQCSA-N 0 0 320.742 3.894 10 0 DHAERN COc1ccc(Cl)cc1CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000048061873 333565152 /nfs/dbraw/zinc/56/51/52/333565152.db2.gz OPGUHRNZCSMLPN-NSHDSACASA-N 0 0 322.792 3.810 10 0 DHAERN COC[C@H](C)C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000152075254 333593665 /nfs/dbraw/zinc/59/36/65/333593665.db2.gz JNSDCADTSSCLOB-AWEZNQCLSA-N 0 0 315.438 3.737 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000152233137 333648771 /nfs/dbraw/zinc/64/87/71/333648771.db2.gz KVEFACIBVTZUSP-LSDHHAIUSA-N 0 0 303.450 3.692 10 0 DHAERN COC(=O)[C@H](NCc1ccc2nc(C)ccc2c1)c1ccccc1 ZINC000187641967 334266554 /nfs/dbraw/zinc/26/65/54/334266554.db2.gz HQQYOMZBOCEPPN-LJQANCHMSA-N 0 0 320.392 3.547 10 0 DHAERN C[C@H](NCCn1cccn1)c1c(Cl)ccc(F)c1Cl ZINC000049074850 334307448 /nfs/dbraw/zinc/30/74/48/334307448.db2.gz GEXNGGHFOSGHBK-VIFPVBQESA-N 0 0 302.180 3.680 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111790053 334357426 /nfs/dbraw/zinc/35/74/26/334357426.db2.gz ORAHLKFKJBYCOH-IAGOWNOFSA-N 0 0 320.481 3.754 10 0 DHAERN CC[C@H]1CN(C(=O)N[C@H](C)c2ccc3ccccc3c2)CCO1 ZINC000049787198 334359299 /nfs/dbraw/zinc/35/92/99/334359299.db2.gz HQUPFPJOQUHPLF-KDOFPFPSSA-N 0 0 312.413 3.721 10 0 DHAERN C[C@@H](NC(=O)N1CCSCC1)c1ccc2ccccc2c1 ZINC000049787278 334359353 /nfs/dbraw/zinc/35/93/53/334359353.db2.gz MILSPGPNGJHMJM-CYBMUJFWSA-N 0 0 300.427 3.659 10 0 DHAERN COC[C@H](C)C(=O)Nc1cccc(OCc2ccccc2C)c1 ZINC000112178398 334368173 /nfs/dbraw/zinc/36/81/73/334368173.db2.gz OICXDKTUKBSYRN-HNNXBMFYSA-N 0 0 313.397 3.795 10 0 DHAERN CN(C)c1nc2ccc(N[C@@H]3CCCC34CCOCC4)cc2o1 ZINC000328657290 334746208 /nfs/dbraw/zinc/74/62/08/334746208.db2.gz OSAOAHVGMCFAKH-MRXNPFEDSA-N 0 0 315.417 3.655 10 0 DHAERN Cc1nc(-c2cccc(C(=O)N3CCCC34CCCCC4)c2)n[nH]1 ZINC000328895084 334764078 /nfs/dbraw/zinc/76/40/78/334764078.db2.gz WAUHSVNORCPKEW-UHFFFAOYSA-N 0 0 324.428 3.719 10 0 DHAERN CO[C@@H](C)CNC(=O)Nc1ccccc1Oc1ccccc1 ZINC000189666897 334905719 /nfs/dbraw/zinc/90/57/19/334905719.db2.gz MFRATXDIEQUWHL-ZDUSSCGKSA-N 0 0 300.358 3.635 10 0 DHAERN CO[C@H](C)CNC(=O)Nc1ccccc1Oc1cccc(F)c1 ZINC000189815200 334911278 /nfs/dbraw/zinc/91/12/78/334911278.db2.gz PTVUZJONRKMRGZ-GFCCVEGCSA-N 0 0 318.348 3.774 10 0 DHAERN CC1(C)C[C@@H](Nc2nnc(Cc3ccccc3F)s2)CCO1 ZINC000130063858 334919254 /nfs/dbraw/zinc/91/92/54/334919254.db2.gz JOPGTGMNFBIQHX-LBPRGKRZSA-N 0 0 321.421 3.638 10 0 DHAERN C[C@H](c1ccccc1)N(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000053961741 335848626 /nfs/dbraw/zinc/84/86/26/335848626.db2.gz DVETZAUYVBBBLQ-PBHICJAKSA-N 0 0 310.397 3.913 10 0 DHAERN COCCCNC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000054029465 335857137 /nfs/dbraw/zinc/85/71/37/335857137.db2.gz AIZKNOHIKROBDK-HNNXBMFYSA-N 0 0 312.413 3.750 10 0 DHAERN CC(C)(C)[C@H]1CN(C(=O)c2cnn3ccncc23)c2ccccc21 ZINC000329504824 335985587 /nfs/dbraw/zinc/98/55/87/335985587.db2.gz LGVMZSJFSYWCCS-HNNXBMFYSA-N 0 0 320.396 3.519 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N2CCC[C@H]2c2cccc(C)n2)cc1 ZINC000167258637 336030330 /nfs/dbraw/zinc/03/03/30/336030330.db2.gz YFCTZELUOCKSPG-BEFAXECRSA-N 0 0 324.424 3.866 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000167258528 336030360 /nfs/dbraw/zinc/03/03/60/336030360.db2.gz YFCTZELUOCKSPG-HNAYVOBHSA-N 0 0 324.424 3.866 10 0 DHAERN Cc1ccc2oc(N3CCC(c4noc(C5CC5)n4)CC3)nc2c1 ZINC000329728649 336070982 /nfs/dbraw/zinc/07/09/82/336070982.db2.gz HJCXIFKMLIMLOR-UHFFFAOYSA-N 0 0 324.384 3.781 10 0 DHAERN O=C(Nc1ccccc1NC1CCCC1)c1n[nH]c2c1CCC2 ZINC000330041032 336108626 /nfs/dbraw/zinc/10/86/26/336108626.db2.gz CSHILZIJCSCYSU-UHFFFAOYSA-N 0 0 310.401 3.505 10 0 DHAERN Cc1csc(C2(NCc3nc4cccnc4s3)CCC2)n1 ZINC000330260802 336131025 /nfs/dbraw/zinc/13/10/25/336131025.db2.gz OQFHKOAGSIYYCH-UHFFFAOYSA-N 0 0 316.455 3.625 10 0 DHAERN Cc1nc(C(C)C)oc1Cn1cnc2sc(C)c(C)c2c1=O ZINC000333027813 336196936 /nfs/dbraw/zinc/19/69/36/336196936.db2.gz GSDNYAAHWQMNFZ-UHFFFAOYSA-N 0 0 317.414 3.543 10 0 DHAERN CC(C)c1cnc(NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)s1 ZINC000333208254 336199791 /nfs/dbraw/zinc/19/97/91/336199791.db2.gz SRIUNXVGEOGWPE-BBRMVZONSA-N 0 0 323.462 3.688 10 0 DHAERN CC(C)c1cnc(NC(=O)N2C[C@]3(CCCO3)[C@H]2C(C)C)s1 ZINC000333208266 336199794 /nfs/dbraw/zinc/19/97/94/336199794.db2.gz SRIUNXVGEOGWPE-CZUORRHYSA-N 0 0 323.462 3.688 10 0 DHAERN C[C@@H](NC(=O)CC(F)(F)F)c1cccc(Br)c1 ZINC000042239941 336237760 /nfs/dbraw/zinc/23/77/60/336237760.db2.gz MNDZFKZMUKTMKY-SSDOTTSWSA-N 0 0 310.113 3.579 10 0 DHAERN Cc1cc(N[C@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1F ZINC000103164761 336238134 /nfs/dbraw/zinc/23/81/34/336238134.db2.gz BOOQFZTZSHPRDW-ZIAGYGMSSA-N 0 0 300.377 3.812 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000103362840 336240252 /nfs/dbraw/zinc/24/02/52/336240252.db2.gz IZWINJIXJAJOFB-SNVBAGLBSA-N 0 0 324.833 3.608 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 ZINC000103362961 336240295 /nfs/dbraw/zinc/24/02/95/336240295.db2.gz AIPRLYVRLHAUAU-LBPRGKRZSA-N 0 0 310.353 3.716 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000103360773 336240299 /nfs/dbraw/zinc/24/02/99/336240299.db2.gz HHDIILQSWMLTLC-SUMWQHHRSA-N 0 0 317.816 3.828 10 0 DHAERN COC[C@@H](C)C(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000103381657 336241148 /nfs/dbraw/zinc/24/11/48/336241148.db2.gz DMOWPSRNTCZNOO-CXAGYDPISA-N 0 0 317.816 3.828 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000103381652 336241156 /nfs/dbraw/zinc/24/11/56/336241156.db2.gz DMOWPSRNTCZNOO-DYVFJYSZSA-N 0 0 317.816 3.828 10 0 DHAERN Brc1csc(CN2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000043687347 336269973 /nfs/dbraw/zinc/26/99/73/336269973.db2.gz OTIPZFMFFMTLPG-QWHCGFSZSA-N 0 0 316.264 3.654 10 0 DHAERN CC(C)c1cccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000104981612 336273297 /nfs/dbraw/zinc/27/32/97/336273297.db2.gz QDVVZOZUWJAXIO-QGZVFWFLSA-N 0 0 301.434 3.512 10 0 DHAERN CN(C)c1cccc(CNc2ccc(-c3ccc(F)cc3)nn2)c1 ZINC000301083053 336289049 /nfs/dbraw/zinc/28/90/49/336289049.db2.gz FZBPRNINTVWKIP-UHFFFAOYSA-N 0 0 322.387 3.961 10 0 DHAERN CCCN(CC(F)F)c1nn2cc(C(C)(C)C)nc2s1 ZINC000301130326 336291444 /nfs/dbraw/zinc/29/14/44/336291444.db2.gz XLUHPFMFWHMIKS-UHFFFAOYSA-N 0 0 302.394 3.570 10 0 DHAERN O[C@H]1CCC[C@@H](Nc2ccnc3c(Br)cccc23)C1 ZINC000301148671 336292128 /nfs/dbraw/zinc/29/21/28/336292128.db2.gz CALGAMQHRTXHGS-MNOVXSKESA-N 0 0 321.218 3.713 10 0 DHAERN CCN(Cc1ccoc1)c1nn2cc(C(C)(C)C)nc2s1 ZINC000301193491 336294261 /nfs/dbraw/zinc/29/42/61/336294261.db2.gz SRIVDUWNYUOKQP-UHFFFAOYSA-N 0 0 304.419 3.708 10 0 DHAERN C[C@@H](Nc1cc(Cl)nc(N)n1)c1nc(C(C)(C)C)cs1 ZINC000301204787 336294794 /nfs/dbraw/zinc/29/47/94/336294794.db2.gz RVDHWVVBENBZRV-SSDOTTSWSA-N 0 0 311.842 3.639 10 0 DHAERN O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)C1CCCC1 ZINC000301288077 336298862 /nfs/dbraw/zinc/29/88/62/336298862.db2.gz NQOPUUGTCGCBEH-LLVKDONJSA-N 0 0 308.731 3.717 10 0 DHAERN OC1(CNc2ccc(-c3ccc(F)cc3)nn2)CCCCCC1 ZINC000301291528 336299083 /nfs/dbraw/zinc/29/90/83/336299083.db2.gz POBGQEFAUQLQJZ-UHFFFAOYSA-N 0 0 315.392 3.780 10 0 DHAERN Fc1ccccc1C1(CNc2ncc(Br)cn2)CC1 ZINC000301294080 336299226 /nfs/dbraw/zinc/29/92/26/336299226.db2.gz WMMURBSCQXDWEJ-UHFFFAOYSA-N 0 0 322.181 3.522 10 0 DHAERN Brc1ccc(N[C@H]2CCN(c3ccccc3)C2)nc1 ZINC000301339870 336301404 /nfs/dbraw/zinc/30/14/04/336301404.db2.gz DREKHCVIVIGVIC-ZDUSSCGKSA-N 0 0 318.218 3.535 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)c2ccnc(C3CC3)n2)C12CCCC2 ZINC000301342222 336301637 /nfs/dbraw/zinc/30/16/37/336301637.db2.gz IKUUSKQRRICRCO-LSDHHAIUSA-N 0 0 301.434 3.528 10 0 DHAERN C[C@@]1(CO)CCC[C@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000301350665 336301946 /nfs/dbraw/zinc/30/19/46/336301946.db2.gz JYHQPMISVYDPDB-CJNGLKHVSA-N 0 0 308.784 3.990 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@H]1CNc1ccc(Br)cn1 ZINC000301359906 336302415 /nfs/dbraw/zinc/30/24/15/336302415.db2.gz LXATYWSTIHFSFE-GWCFXTLKSA-N 0 0 313.239 3.707 10 0 DHAERN COc1ccc(Sc2ncnc3sccc32)cc1OC ZINC000301372130 336303121 /nfs/dbraw/zinc/30/31/21/336303121.db2.gz UERYMPUPSUFCET-UHFFFAOYSA-N 0 0 304.396 3.860 10 0 DHAERN CCc1c(Cl)nc(C)nc1N[C@@H]1CCN(c2ccccc2)C1 ZINC000301403360 336304659 /nfs/dbraw/zinc/30/46/59/336304659.db2.gz RXJRKEPHHFYGMM-CYBMUJFWSA-N 0 0 316.836 3.692 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1ncc(C(=O)N2CCCCC2)cc1Cl ZINC000301412303 336305010 /nfs/dbraw/zinc/30/50/10/336305010.db2.gz APGVEZHICCFMMB-IUODEOHRSA-N 0 0 321.852 3.962 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000301419269 336305426 /nfs/dbraw/zinc/30/54/26/336305426.db2.gz DHCZXWWEFCLSIE-NVXWUHKLSA-N 0 0 321.424 3.885 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1ncccc1C(=O)N1CCc2ccccc21 ZINC000301457798 336308001 /nfs/dbraw/zinc/30/80/01/336308001.db2.gz SNZIXVSAIPBXIU-WBVHZDCISA-N 0 0 321.424 3.885 10 0 DHAERN CCC[C@@H]1C[C@H]1Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301467018 336308649 /nfs/dbraw/zinc/30/86/49/336308649.db2.gz XWITXACYQWQLND-BXUZGUMPSA-N 0 0 311.364 3.531 10 0 DHAERN CCc1ccccc1NC(=O)CNc1cc(C(F)(F)F)ccn1 ZINC000301508033 336311360 /nfs/dbraw/zinc/31/13/60/336311360.db2.gz DJGPQJRJAZWUQH-UHFFFAOYSA-N 0 0 323.318 3.713 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000301519207 336312037 /nfs/dbraw/zinc/31/20/37/336312037.db2.gz CQRTVSCUNWICNM-PZPWOCDFSA-N 0 0 302.443 3.727 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@H]3Cc3ccccc3)c2)n1 ZINC000301548212 336314112 /nfs/dbraw/zinc/31/41/12/336314112.db2.gz UNVDZMNLMHRCJT-KRWDZBQOSA-N 0 0 320.396 3.652 10 0 DHAERN CC[C@@H](CNc1ccc(SC)nn1)Oc1ccccc1C ZINC000301571716 336315762 /nfs/dbraw/zinc/31/57/62/336315762.db2.gz RJIZOKKTHFUDBV-ZDUSSCGKSA-N 0 0 303.431 3.776 10 0 DHAERN CC[S@](=O)[C@H]1CCC[C@H](Nc2ccnc3ccsc32)C1 ZINC000301579859 336316229 /nfs/dbraw/zinc/31/62/29/336316229.db2.gz UKSBTZDKMHJFJG-PVUDRZGPSA-N 0 0 308.472 3.788 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000301593597 336317150 /nfs/dbraw/zinc/31/71/50/336317150.db2.gz YGDAQHHHFGZVLJ-BJFPOWJFSA-N 0 0 320.380 3.592 10 0 DHAERN O[C@@H](CNc1nc(-c2ccc(F)cc2)cs1)C1CCCC1 ZINC000301598251 336317324 /nfs/dbraw/zinc/31/73/24/336317324.db2.gz HFPRVQZICNOSGS-HNNXBMFYSA-N 0 0 306.406 3.912 10 0 DHAERN CCCNC(=O)c1ccc(N[C@@H](C)c2ccc(C)c(F)c2)nc1 ZINC000301598302 336317356 /nfs/dbraw/zinc/31/73/56/336317356.db2.gz HHGXIESOARDZEQ-ZDUSSCGKSA-N 0 0 315.392 3.842 10 0 DHAERN CSc1ccc(N[C@H](C)c2ccccc2-n2cccn2)nn1 ZINC000301646565 336320488 /nfs/dbraw/zinc/32/04/88/336320488.db2.gz OAQCDGRUMNIVHQ-GFCCVEGCSA-N 0 0 311.414 3.557 10 0 DHAERN Cc1cccc2c(N3CC[C@H](C)[C@H](n4ccnc4)C3)cc[nH+]c12 ZINC000301663726 336321771 /nfs/dbraw/zinc/32/17/71/336321771.db2.gz KQXVIGWMDQJTGL-KBXCAEBGSA-N 0 0 306.413 3.827 10 0 DHAERN OCCC1(CNc2ccc3c(Cl)ccnc3c2F)CCC1 ZINC000301720232 336325449 /nfs/dbraw/zinc/32/54/49/336325449.db2.gz ZORNPEFFYCJENM-UHFFFAOYSA-N 0 0 308.784 3.992 10 0 DHAERN CCc1sc([C@@H](C)Nc2cc(C)nc3ncnn32)cc1C ZINC000301765817 336328411 /nfs/dbraw/zinc/32/84/11/336328411.db2.gz GZEXAIMKANNGNZ-LLVKDONJSA-N 0 0 301.419 3.538 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2nc(-c3cccnc3)nc(C)c2C)C1 ZINC000301811161 336331529 /nfs/dbraw/zinc/33/15/29/336331529.db2.gz ZWFOCZOUYCWZPA-HOTGVXAUSA-N 0 0 312.417 3.525 10 0 DHAERN Clc1cccc(-c2noc(NCCC3=CCOCC3)n2)c1 ZINC000301830280 336332811 /nfs/dbraw/zinc/33/28/11/336332811.db2.gz RSFIPMZZKHUSCK-UHFFFAOYSA-N 0 0 305.765 3.539 10 0 DHAERN CC[C@H](Nc1nccc(Oc2ccc(F)cc2)n1)[C@@H]1CCCO1 ZINC000301843168 336333612 /nfs/dbraw/zinc/33/36/12/336333612.db2.gz KLJUWKIDHLOZQE-GJZGRUSLSA-N 0 0 317.364 3.778 10 0 DHAERN CSc1ccc(N2CC[C@H](Oc3cccc(Cl)c3)C2)nn1 ZINC000301848595 336333912 /nfs/dbraw/zinc/33/39/12/336333912.db2.gz VNSVIDKHTAXXRM-ZDUSSCGKSA-N 0 0 321.833 3.510 10 0 DHAERN COc1ccc([C@@H]2C[C@@H](C)N(c3nc4ccccc4[nH]3)C2)cc1 ZINC000301855440 336334457 /nfs/dbraw/zinc/33/44/57/336334457.db2.gz CUDMWAFNJLUUQI-UKRRQHHQSA-N 0 0 307.397 3.954 10 0 DHAERN c1ccc2[nH]c(NCCNc3ccc4ccccc4n3)nc2c1 ZINC000301897325 336336848 /nfs/dbraw/zinc/33/68/48/336336848.db2.gz VOALODOTKFTFSW-UHFFFAOYSA-N 0 0 303.369 3.635 10 0 DHAERN COC(=O)c1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)nc1C ZINC000301937469 336338941 /nfs/dbraw/zinc/33/89/41/336338941.db2.gz RWNBKZLHEGOPEN-WDEREUQCSA-N 0 0 316.323 3.710 10 0 DHAERN CCc1ccc(CN(Cc2cccnc2)c2nccc(C)n2)cc1 ZINC000302028639 336344001 /nfs/dbraw/zinc/34/40/01/336344001.db2.gz MDSQLSWYMNROFY-UHFFFAOYSA-N 0 0 318.424 3.949 10 0 DHAERN Cc1nc2c(c(NC[C@@H](O)c3ccc(Cl)s3)n1)CCCC2 ZINC000302092211 336348037 /nfs/dbraw/zinc/34/80/37/336348037.db2.gz MPUMYLQQSGANDZ-GFCCVEGCSA-N 0 0 323.849 3.524 10 0 DHAERN Cc1nc2c(c(N[C@@H]3CCO[C@H]3c3ccccc3)n1)CCCC2 ZINC000302123214 336349531 /nfs/dbraw/zinc/34/95/31/336349531.db2.gz YSEXVNCATDKDBB-MSOLQXFVSA-N 0 0 309.413 3.606 10 0 DHAERN Cc1nc2c(c(N[C@H]3CCO[C@H]3c3ccccc3)n1)CCCC2 ZINC000302123216 336349581 /nfs/dbraw/zinc/34/95/81/336349581.db2.gz YSEXVNCATDKDBB-ROUUACIJSA-N 0 0 309.413 3.606 10 0 DHAERN CC1(CCNc2ccc3c(Cl)ccnc3c2F)OCCO1 ZINC000302143267 336350608 /nfs/dbraw/zinc/35/06/08/336350608.db2.gz GCVXSWCWCNGTFB-UHFFFAOYSA-N 0 0 310.756 3.592 10 0 DHAERN Cc1cnc(C)c(N[C@H]2CCc3cc(Br)ccc32)n1 ZINC000302225261 336354952 /nfs/dbraw/zinc/35/49/52/336354952.db2.gz OQRFKAZISYHZOH-AWEZNQCLSA-N 0 0 318.218 3.955 10 0 DHAERN CCOC(=O)c1ccc(CNc2noc(-c3ccccc3)n2)cc1 ZINC000302238201 336355792 /nfs/dbraw/zinc/35/57/92/336355792.db2.gz LCXUIVIUFZNXPF-UHFFFAOYSA-N 0 0 323.352 3.525 10 0 DHAERN CCOc1ccc2c(c1)CN(c1noc(-c3ccccc3)n1)CC2 ZINC000302247730 336356141 /nfs/dbraw/zinc/35/61/41/336356141.db2.gz USXDDNMMWJAPNE-UHFFFAOYSA-N 0 0 321.380 3.698 10 0 DHAERN Clc1cncnc1N[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000302608233 336362535 /nfs/dbraw/zinc/36/25/35/336362535.db2.gz DMENVHXCOHHTTH-ZYHUDNBSSA-N 0 0 324.609 3.861 10 0 DHAERN CN(C)c1ccc(CCNc2ncc(C(F)(F)F)s2)cc1 ZINC000302668621 336364074 /nfs/dbraw/zinc/36/40/74/336364074.db2.gz CUYISWJNMWPXPK-UHFFFAOYSA-N 0 0 315.364 3.883 10 0 DHAERN CCC[C@]1(COC)CCCN1c1ccc(C(F)(F)F)cn1 ZINC000302798945 336369677 /nfs/dbraw/zinc/36/96/77/336369677.db2.gz BIWUOJDUBPTSGD-CQSZACIVSA-N 0 0 302.340 3.886 10 0 DHAERN CCC[C@]1(COC)CCCN1c1nc(-c2ccccc2)ns1 ZINC000302826982 336370988 /nfs/dbraw/zinc/37/09/88/336370988.db2.gz NFIKGWATQPJKRO-QGZVFWFLSA-N 0 0 317.458 3.991 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000108951434 336394759 /nfs/dbraw/zinc/39/47/59/336394759.db2.gz GUVCYUQSHFYABJ-ZDUSSCGKSA-N 0 0 324.350 3.792 10 0 DHAERN CCC1CCC(NC(=O)c2ncccc2Br)CC1 ZINC000194896153 336423328 /nfs/dbraw/zinc/42/33/28/336423328.db2.gz LPXPXAJINYFEHM-UHFFFAOYSA-N 0 0 311.223 3.543 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N[C@H](C)CCC(C)C ZINC000114582193 336607372 /nfs/dbraw/zinc/60/73/72/336607372.db2.gz SWFHIOVJMVWING-CZUORRHYSA-N 0 0 320.481 3.708 10 0 DHAERN Cc1ccncc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000358204157 336616706 /nfs/dbraw/zinc/61/67/06/336616706.db2.gz UELJQVXQEUDHOR-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN CC(C)COc1ncccc1C(=O)N1CCC[C@H]1c1ccco1 ZINC000116047035 336830538 /nfs/dbraw/zinc/83/05/38/336830538.db2.gz ZBXFXBOHQGYASZ-HNNXBMFYSA-N 0 0 314.385 3.687 10 0 DHAERN Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3cn[nH]c3)cc2c1C ZINC000116764881 336845457 /nfs/dbraw/zinc/84/54/57/336845457.db2.gz LAZGDZSTFAFELB-SFHVURJKSA-N 0 0 322.412 3.875 10 0 DHAERN O=C(Cc1ccccc1OC(F)F)N1CCC[C@@H]1c1ccco1 ZINC000118229753 336865634 /nfs/dbraw/zinc/86/56/34/336865634.db2.gz OQJMUJYXYXJPQL-CYBMUJFWSA-N 0 0 321.323 3.787 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)O1 ZINC000120234806 336904629 /nfs/dbraw/zinc/90/46/29/336904629.db2.gz RRVJHJHXOJKVIG-YVEFUNNKSA-N 0 0 323.383 3.804 10 0 DHAERN CSc1cnn(-c2ccccc2)c1NC(=O)N[C@H](C)C(C)C ZINC000120433893 336912013 /nfs/dbraw/zinc/91/20/13/336912013.db2.gz VXHGREJDQOYXTG-GFCCVEGCSA-N 0 0 318.446 3.760 10 0 DHAERN CCn1cc(C2CCN(C(=O)C(C)(C)C3CCCC3)CC2)cn1 ZINC000122788599 337024095 /nfs/dbraw/zinc/02/40/95/337024095.db2.gz KKILRKGUZZZDJT-UHFFFAOYSA-N 0 0 317.477 3.825 10 0 DHAERN O=C(Nc1cccc(OCCF)c1)N1CCC[C@@H]1c1ccco1 ZINC000123057960 337034924 /nfs/dbraw/zinc/03/49/24/337034924.db2.gz IEBDRPNAWNEURG-OAHLLOKOSA-N 0 0 318.348 3.997 10 0 DHAERN CC(C)[C@@H](C(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000123177592 337038755 /nfs/dbraw/zinc/03/87/55/337038755.db2.gz UNOYBTSXNFJTHL-RTBURBONSA-N 0 0 324.424 3.501 10 0 DHAERN CCn1c(C)cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1C ZINC000043826557 337077910 /nfs/dbraw/zinc/07/79/10/337077910.db2.gz JYYHSMTUPGRVFR-CHWSQXEVSA-N 0 0 316.367 3.976 10 0 DHAERN Cc1nc([C@H](C)NC(=O)c2ccc(OCC(C)C)cc2)cs1 ZINC000170496996 337083265 /nfs/dbraw/zinc/08/32/65/337083265.db2.gz XWCIDQYLLASBBW-LBPRGKRZSA-N 0 0 318.442 3.977 10 0 DHAERN Cc1nc([C@H](C)NC(=O)c2ccc(-n3cccc3)cc2)cs1 ZINC000170497006 337083311 /nfs/dbraw/zinc/08/33/11/337083311.db2.gz JVCKMJJGWMASLS-LBPRGKRZSA-N 0 0 311.410 3.733 10 0 DHAERN CC(C)N(Cc1ccccc1)C(=O)N[C@H]1COc2ccccc21 ZINC000171210871 337085892 /nfs/dbraw/zinc/08/58/92/337085892.db2.gz ONXBRHPMFBCUDD-KRWDZBQOSA-N 0 0 310.397 3.740 10 0 DHAERN Cc1[nH]c2c(cccc2C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1C ZINC000171022612 337086574 /nfs/dbraw/zinc/08/65/74/337086574.db2.gz BRQUQMPCICBESV-DLBZAZTESA-N 0 0 312.413 3.568 10 0 DHAERN c1csc([C@@H]2CCCCN2Cc2cn3ccsc3n2)n1 ZINC000171081331 337086693 /nfs/dbraw/zinc/08/66/93/337086693.db2.gz BKDGMHDXUBOGSR-LBPRGKRZSA-N 0 0 304.444 3.580 10 0 DHAERN C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171697671 337088631 /nfs/dbraw/zinc/08/86/31/337088631.db2.gz YZOBMYBYSOJDJG-KBXCAEBGSA-N 0 0 322.408 3.839 10 0 DHAERN COc1ccc(C)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(C)o1 ZINC000172593760 337130168 /nfs/dbraw/zinc/13/01/68/337130168.db2.gz SMDGKEVODLTUJW-KGLIPLIRSA-N 0 0 316.401 3.583 10 0 DHAERN CC(C)c1nccc(N[C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000172788836 337131034 /nfs/dbraw/zinc/13/10/34/337131034.db2.gz XOAXWECWMOGHHQ-AWEZNQCLSA-N 0 0 307.401 3.959 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccnc2ccccc21 ZINC000172956110 337132607 /nfs/dbraw/zinc/13/26/07/337132607.db2.gz QCRPLOPKJGEXFV-OAHLLOKOSA-N 0 0 320.392 3.570 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000173057619 337133393 /nfs/dbraw/zinc/13/33/93/337133393.db2.gz AOOPWTHDPZDTAI-GOEBONIOSA-N 0 0 321.465 3.766 10 0 DHAERN Cc1ccc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)o1 ZINC000173301606 337134514 /nfs/dbraw/zinc/13/45/14/337134514.db2.gz SWMQZANXZFYZFN-MRXNPFEDSA-N 0 0 319.426 3.645 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)/C=C/c3cccs3)C2)n1 ZINC000173406646 337135096 /nfs/dbraw/zinc/13/50/96/337135096.db2.gz FLVTYCKCKHMKIJ-KTRBRXNASA-N 0 0 318.467 3.932 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 ZINC000173425989 337135186 /nfs/dbraw/zinc/13/51/86/337135186.db2.gz YOLUPARHXUXVAY-CYBMUJFWSA-N 0 0 320.483 3.852 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 ZINC000173417852 337135204 /nfs/dbraw/zinc/13/52/04/337135204.db2.gz OLWVKXHOUPDWAR-INIZCTEOSA-N 0 0 314.454 3.790 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H](C)OCCC(C)C)C2)n1 ZINC000173426690 337135235 /nfs/dbraw/zinc/13/52/35/337135235.db2.gz LRXUGYOZFKOSCB-HUUCEWRRSA-N 0 0 324.490 3.609 10 0 DHAERN CSCCCCC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173429490 337135282 /nfs/dbraw/zinc/13/52/82/337135282.db2.gz WHBNASNKBQXUKD-ZDUSSCGKSA-N 0 0 312.504 3.691 10 0 DHAERN CSc1ccc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452545 337135322 /nfs/dbraw/zinc/13/53/22/337135322.db2.gz ZPBNVIBNKLYWLU-OLZOCXBDSA-N 0 0 316.474 3.748 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccccc3F)C2)n1 ZINC000173431477 337135354 /nfs/dbraw/zinc/13/53/54/337135354.db2.gz YCKZMSQQIAPHDQ-LBPRGKRZSA-N 0 0 304.390 3.610 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2CCCCCC2)no1 ZINC000173457854 337135410 /nfs/dbraw/zinc/13/54/10/337135410.db2.gz IACIPZKDQBMSFB-CQSZACIVSA-N 0 0 305.422 3.827 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 ZINC000173475581 337135416 /nfs/dbraw/zinc/13/54/16/337135416.db2.gz XFCQQIWPQKJBGM-OAHLLOKOSA-N 0 0 315.442 3.541 10 0 DHAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)C2 ZINC000173509250 337136197 /nfs/dbraw/zinc/13/61/97/337136197.db2.gz KGULYLFWVHGZIK-CRAIPNDOSA-N 0 0 311.381 3.564 10 0 DHAERN O=C([C@@H]1C[C@]12CCc1ccccc12)N1CCC[C@@H]1c1ccco1 ZINC000173634888 337137141 /nfs/dbraw/zinc/13/71/41/337137141.db2.gz MLUFPCMGUZMOFU-QKLQHJQFSA-N 0 0 307.393 3.847 10 0 DHAERN C[C@H](NC(=O)CCc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000173910395 337137524 /nfs/dbraw/zinc/13/75/24/337137524.db2.gz QKGZUCDYGBMAHN-INIZCTEOSA-N 0 0 319.408 3.682 10 0 DHAERN Cc1ccc(CC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000173939386 337137800 /nfs/dbraw/zinc/13/78/00/337137800.db2.gz OQEDJHWPHPDXQR-INIZCTEOSA-N 0 0 319.408 3.601 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCCCC(C)C)C2)n1 ZINC000173822368 337138449 /nfs/dbraw/zinc/13/84/49/337138449.db2.gz UFLDZYOODMQZAA-AWEZNQCLSA-N 0 0 309.479 3.777 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NC[C@@H]3CC=CCC3)C2)n1 ZINC000174371174 337141111 /nfs/dbraw/zinc/14/11/11/337141111.db2.gz JQXUOVMJWZNDFS-HUUCEWRRSA-N 0 0 319.474 3.697 10 0 DHAERN O=S(=O)(/C=C/c1ccc(F)cc1)N1CCC[C@H]1c1ccco1 ZINC000175290567 337146719 /nfs/dbraw/zinc/14/67/19/337146719.db2.gz UGGOICZBXFJXID-RZXPCSSPSA-N 0 0 321.373 3.556 10 0 DHAERN CCCCCC[C@H](C)NC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000175523699 337147854 /nfs/dbraw/zinc/14/78/54/337147854.db2.gz SJRRHDDUXWXGRM-DOTOQJQBSA-N 0 0 320.481 3.724 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH]cnc3c2)o1 ZINC000175606491 337148419 /nfs/dbraw/zinc/14/84/19/337148419.db2.gz RVELAHMTZLLAIY-MRXNPFEDSA-N 0 0 309.369 3.832 10 0 DHAERN O=C(C/C=C/c1ccc(F)cc1)N[C@H]1CCOc2ccccc21 ZINC000175940038 337148865 /nfs/dbraw/zinc/14/88/65/337148865.db2.gz BRSGVQJKAUSZCE-IDOMTICXSA-N 0 0 311.356 3.869 10 0 DHAERN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000175980005 337149977 /nfs/dbraw/zinc/14/99/77/337149977.db2.gz LFKFATBCJIVWNZ-KOLCDFICSA-N 0 0 308.403 3.551 10 0 DHAERN O=C(C/C=C/c1ccc(F)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000176308868 337150720 /nfs/dbraw/zinc/15/07/20/337150720.db2.gz KWRAAGVZLUCGKC-IDOMTICXSA-N 0 0 313.376 3.706 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CC[C@]3(CCOC3)C2)cc1 ZINC000176406707 337151113 /nfs/dbraw/zinc/15/11/13/337151113.db2.gz VOBRHCWUANQVNS-KXBFYZLASA-N 0 0 316.445 3.693 10 0 DHAERN CCCC[C@H](CCC)NC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000176420658 337151188 /nfs/dbraw/zinc/15/11/88/337151188.db2.gz RRSGYEPCPVGUNY-IRXDYDNUSA-N 0 0 320.481 3.724 10 0 DHAERN COc1csc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000176493883 337151542 /nfs/dbraw/zinc/15/15/42/337151542.db2.gz RVAYJGJBEIQKPB-BDAKNGLRSA-N 0 0 307.337 3.608 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C/C=C/c3ccc(C)cc3)C2)c1 ZINC000176622010 337152427 /nfs/dbraw/zinc/15/24/27/337152427.db2.gz UMHHPDWEYMLXAU-MEDHRJKHSA-N 0 0 323.440 3.767 10 0 DHAERN CCCCCCNC(=O)N1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000177339059 337156951 /nfs/dbraw/zinc/15/69/51/337156951.db2.gz GKUXVWFAQXUIHN-CYBMUJFWSA-N 0 0 308.426 3.620 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)c2cccc(N)c2)cc1 ZINC000178630955 337165694 /nfs/dbraw/zinc/16/56/94/337165694.db2.gz YSDVAWFEDFQNFC-CQSZACIVSA-N 0 0 312.413 3.795 10 0 DHAERN Cc1cnc([C@H](C)NCc2csc(Br)c2)o1 ZINC000220907387 337167161 /nfs/dbraw/zinc/16/71/61/337167161.db2.gz CNTGQWJTTZVXLX-QMMMGPOBSA-N 0 0 301.209 3.658 10 0 DHAERN CC(C)Cn1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)cn1 ZINC000180563718 337176381 /nfs/dbraw/zinc/17/63/81/337176381.db2.gz QRKYTWVIHCSPCZ-SNVBAGLBSA-N 0 0 311.838 3.745 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)C3(C)CCCCCC3)C2)no1 ZINC000180708410 337177448 /nfs/dbraw/zinc/17/74/48/337177448.db2.gz QFPALISPPIJLPE-HNNXBMFYSA-N 0 0 319.449 3.520 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)Cc1nnc(C2CCC2)n1C ZINC000181051905 337179494 /nfs/dbraw/zinc/17/94/94/337179494.db2.gz CTKNCPRHGIEBIF-GFCCVEGCSA-N 0 0 318.852 3.929 10 0 DHAERN CCCn1cc(C(=O)N2CCCC[C@@H]2c2ccc(CC)o2)cn1 ZINC000181074892 337179566 /nfs/dbraw/zinc/17/95/66/337179566.db2.gz XZHWCVNZZZNXMP-MRXNPFEDSA-N 0 0 315.417 3.816 10 0 DHAERN Cc1ccc2c(c1)[C@@H](Nc1cnn(Cc3ccncc3)c1)[C@@H](C)C2 ZINC000181166840 337182105 /nfs/dbraw/zinc/18/21/05/337182105.db2.gz QENBJPNLMSJUNP-YWZLYKJASA-N 0 0 318.424 3.980 10 0 DHAERN COC(=O)c1ccc(F)c(CN2CCC[C@H]2c2ccco2)c1 ZINC000181946200 337185487 /nfs/dbraw/zinc/18/54/87/337185487.db2.gz FLAXTMLWSXLRLS-HNNXBMFYSA-N 0 0 303.333 3.542 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)CCCOC(C)C)C2)n1 ZINC000182431054 337186397 /nfs/dbraw/zinc/18/63/97/337186397.db2.gz WOSGRBZUHITOMZ-AWEZNQCLSA-N 0 0 324.490 3.617 10 0 DHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@H]1COc2ccccc21 ZINC000182808467 337188312 /nfs/dbraw/zinc/18/83/12/337188312.db2.gz SJFWCFORKNFCLH-LBPRGKRZSA-N 0 0 324.714 3.873 10 0 DHAERN COc1ccc(-c2nc(CN[C@@H](C)c3cccs3)no2)cc1 ZINC000182551278 337188825 /nfs/dbraw/zinc/18/88/25/337188825.db2.gz DBHBGVIJHSRQDB-NSHDSACASA-N 0 0 315.398 3.658 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)NCc2nc3ccccc3n2C)CC(C)(C)C1 ZINC000182638566 337189183 /nfs/dbraw/zinc/18/91/83/337189183.db2.gz JKXGGWNHPNGIGV-ZIAGYGMSSA-N 0 0 313.445 3.652 10 0 DHAERN COCc1ccsc1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000182975176 337190931 /nfs/dbraw/zinc/19/09/31/337190931.db2.gz UXOQECOENUCJEJ-HNNXBMFYSA-N 0 0 319.401 3.841 10 0 DHAERN Cc1ccc([C@H](C)NCC(=O)N(Cc2ccccc2)C(C)C)o1 ZINC000183076202 337191280 /nfs/dbraw/zinc/19/12/80/337191280.db2.gz DAFIJVUGFNQOMS-INIZCTEOSA-N 0 0 314.429 3.676 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2nnc(C(F)F)s2)CC(C)(C)C1 ZINC000183413143 337191543 /nfs/dbraw/zinc/19/15/43/337191543.db2.gz CRLCARIWDMUGNT-HTQZYQBOSA-N 0 0 303.378 3.877 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3C[C@@H](C)C[C@H](C)C3)CC2)cn1 ZINC000183884639 337195189 /nfs/dbraw/zinc/19/51/89/337195189.db2.gz AGURQJVJBXLZEN-GJZGRUSLSA-N 0 0 317.477 3.681 10 0 DHAERN O=C(NCCC1=CCCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000184090209 337196139 /nfs/dbraw/zinc/19/61/39/337196139.db2.gz ZBFVPKWGHGGEHZ-UHFFFAOYSA-N 0 0 316.449 3.579 10 0 DHAERN COc1ccc([C@H](C)CNc2cccc3c2OCC[C@H]3O)cc1 ZINC000184064267 337197074 /nfs/dbraw/zinc/19/70/74/337197074.db2.gz XJUPZJUQDIIFPI-FZKQIMNGSA-N 0 0 313.397 3.727 10 0 DHAERN Cc1nccn1CCCN(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184249991 337197587 /nfs/dbraw/zinc/19/75/87/337197587.db2.gz SXRXAGLVIYLDIK-HOCLYGCPSA-N 0 0 305.466 3.502 10 0 DHAERN Cc1cnc([C@@H](C)NC(=O)c2cc(Br)ccc2C)o1 ZINC000226613652 337199918 /nfs/dbraw/zinc/19/99/18/337199918.db2.gz CVYVXHDJIYQGJA-SNVBAGLBSA-N 0 0 323.190 3.545 10 0 DHAERN CSCc1ccccc1NC(=O)N[C@@H]1COc2ccccc21 ZINC000184764965 337200884 /nfs/dbraw/zinc/20/08/84/337200884.db2.gz NFKZIVYGLKGKQG-OAHLLOKOSA-N 0 0 314.410 3.805 10 0 DHAERN COCCC(C)(C)CNC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000185154696 337202359 /nfs/dbraw/zinc/20/23/59/337202359.db2.gz QXRGOPBMQQSEAM-OAHLLOKOSA-N 0 0 322.449 3.887 10 0 DHAERN COc1ccc(F)cc1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000185314745 337204944 /nfs/dbraw/zinc/20/49/44/337204944.db2.gz JYLBXXKOHZMTPP-KRWDZBQOSA-N 0 0 313.372 3.571 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C(C)C)C2)n1 ZINC000185410602 337205290 /nfs/dbraw/zinc/20/52/90/337205290.db2.gz RQKVYPMDHJWWOT-BPLDGKMQSA-N 0 0 306.475 3.704 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1Cl ZINC000186269783 337255566 /nfs/dbraw/zinc/25/55/66/337255566.db2.gz AVYNRNWFTUYYLQ-KKFJDGPESA-N 0 0 302.201 3.738 10 0 DHAERN CC(=O)Nc1ccc(C)c(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000187054526 337261517 /nfs/dbraw/zinc/26/15/17/337261517.db2.gz ZECUVKMDKLEQCJ-MRXNPFEDSA-N 0 0 312.369 3.524 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cc(Cl)cc(Cl)c1 ZINC000188957361 337276855 /nfs/dbraw/zinc/27/68/55/337276855.db2.gz HUDWGBVQYMHXIU-HZMBPMFUSA-N 0 0 316.228 3.767 10 0 DHAERN CCC[C@H](NC(=O)[C@H]1CCCO[C@@H]1C)c1ccc(F)cc1F ZINC000189310952 337278629 /nfs/dbraw/zinc/27/86/29/337278629.db2.gz JBFSGCDNXFUMEW-FFSVYQOJSA-N 0 0 311.372 3.737 10 0 DHAERN C[C@H]1CCSCCN1C(=O)N[C@H]1CCCc2ccccc21 ZINC000190305105 337286562 /nfs/dbraw/zinc/28/65/62/337286562.db2.gz JAGYTGIAQBEVEG-BBRMVZONSA-N 0 0 304.459 3.601 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000190851876 337290187 /nfs/dbraw/zinc/29/01/87/337290187.db2.gz UVLBRDNUJUIEIY-KRWDZBQOSA-N 0 0 309.413 3.731 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(CCC(F)(F)F)Cc2ccccc2)O1 ZINC000191944501 337301434 /nfs/dbraw/zinc/30/14/34/337301434.db2.gz VLHOFRQRNSLQDD-JSGCOSHPSA-N 0 0 315.335 3.535 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccoc3Cl)C2)n1 ZINC000192393749 337305084 /nfs/dbraw/zinc/30/50/84/337305084.db2.gz IXLOJJFYXZWFEI-SNVBAGLBSA-N 0 0 310.806 3.718 10 0 DHAERN Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)ccn1 ZINC000235183958 337307735 /nfs/dbraw/zinc/30/77/35/337307735.db2.gz FUWNHQALTKJWDU-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)ccn1 ZINC000235497121 337309392 /nfs/dbraw/zinc/30/93/92/337309392.db2.gz FUWNHQALTKJWDU-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN O=C(c1ccccc1)[C@@H](F)[C@](O)(c1ccccc1)C(F)(F)F ZINC000584600481 337370724 /nfs/dbraw/zinc/37/07/24/337370724.db2.gz GZGPWRPCWNQQMQ-HUUCEWRRSA-N 0 0 312.262 3.658 10 0 DHAERN CCc1cc(C(=O)N2CCC[C@@H](c3ccccc3OC)C2)ccn1 ZINC000584605075 337371482 /nfs/dbraw/zinc/37/14/82/337371482.db2.gz LBKOZRVVIYIJLA-MRXNPFEDSA-N 0 0 324.424 3.672 10 0 DHAERN O=C1NC[C@H](Cc2ccccc2)c2cc(Br)ccc21 ZINC000584613005 337372510 /nfs/dbraw/zinc/37/25/10/337372510.db2.gz HNYGEPUGIDBUCD-LBPRGKRZSA-N 0 0 316.198 3.519 10 0 DHAERN CN1c2cc(-c3nc(-c4cccnc4)co3)ccc2C(C)(C)C1=O ZINC000584625855 337375908 /nfs/dbraw/zinc/37/59/08/337375908.db2.gz ZOXAHHOANVDUTP-UHFFFAOYSA-N 0 0 319.364 3.658 10 0 DHAERN CC(C)c1nnc([C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)o1 ZINC000584651935 337381012 /nfs/dbraw/zinc/38/10/12/337381012.db2.gz NEJSSIPOAGVNKU-HAQNSBGRSA-N 0 0 309.410 3.744 10 0 DHAERN Cc1cnn([C@H]2CCCN(Cc3csc(C(C)C)n3)C2)c1 ZINC000105901356 337386796 /nfs/dbraw/zinc/38/67/96/337386796.db2.gz OZIXCFZVWJSORJ-HNNXBMFYSA-N 0 0 304.463 3.609 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC000105853039 337386816 /nfs/dbraw/zinc/38/68/16/337386816.db2.gz MVOGWODHNZHNME-MRXNPFEDSA-N 0 0 303.450 3.579 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)cc1C ZINC000105846863 337386880 /nfs/dbraw/zinc/38/68/80/337386880.db2.gz ZLIVEFPCWYSCSU-QGZVFWFLSA-N 0 0 311.429 3.631 10 0 DHAERN Cc1cnccc1C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000311521717 337389204 /nfs/dbraw/zinc/38/92/04/337389204.db2.gz DZMIMMOSCBKATN-NSHDSACASA-N 0 0 319.202 3.644 10 0 DHAERN O=C(c1cccc2ccccc21)N1CCO[C@H](c2nccs2)C1 ZINC000110884923 337389233 /nfs/dbraw/zinc/38/92/33/337389233.db2.gz KZRTZTFILZRHMM-INIZCTEOSA-N 0 0 324.405 3.510 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1coc2ccccc12 ZINC000113173972 337390914 /nfs/dbraw/zinc/39/09/14/337390914.db2.gz PCYFJZGDXUKWRY-MRXNPFEDSA-N 0 0 323.396 3.760 10 0 DHAERN CCCCCCOCC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000115365035 337392072 /nfs/dbraw/zinc/39/20/72/337392072.db2.gz BFYOOEDFKPSJSD-CQSZACIVSA-N 0 0 310.463 3.794 10 0 DHAERN O=C(c1cccc(OC(F)F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116041179 337392216 /nfs/dbraw/zinc/39/22/16/337392216.db2.gz OHYYXDJRDNNWNW-CYBMUJFWSA-N 0 0 307.296 3.858 10 0 DHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116045532 337392234 /nfs/dbraw/zinc/39/22/34/337392234.db2.gz WTUNTCWXWHNNBF-CQSZACIVSA-N 0 0 305.761 3.676 10 0 DHAERN COc1ccc(CCCC(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116045643 337392248 /nfs/dbraw/zinc/39/22/48/337392248.db2.gz WSTZQMVUMXRACC-KRWDZBQOSA-N 0 0 313.397 3.975 10 0 DHAERN O=C(c1cnn(Cc2ccccc2)c1)N1CCC[C@H]1c1ccco1 ZINC000116043317 337392254 /nfs/dbraw/zinc/39/22/54/337392254.db2.gz ORNKXPZRHQIZBR-KRWDZBQOSA-N 0 0 321.380 3.502 10 0 DHAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116045314 337392293 /nfs/dbraw/zinc/39/22/93/337392293.db2.gz QYIMMJSKPDGIBJ-HNNXBMFYSA-N 0 0 308.337 3.511 10 0 DHAERN O=C(CN1CCC[C@@H]1c1ccco1)N[C@H](c1ccccc1)C1CC1 ZINC000116293990 337392488 /nfs/dbraw/zinc/39/24/88/337392488.db2.gz RBQBHVMIIJLSBW-YLJYHZDGSA-N 0 0 324.424 3.684 10 0 DHAERN c1coc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)c1 ZINC000116291297 337392630 /nfs/dbraw/zinc/39/26/30/337392630.db2.gz XXSVJDSSIBGLLV-LBPRGKRZSA-N 0 0 301.371 3.728 10 0 DHAERN CCc1ccc(CNC(=O)N2CCC[C@@H]2c2ccco2)s1 ZINC000116419267 337392658 /nfs/dbraw/zinc/39/26/58/337392658.db2.gz FPQOBLPHFGFXED-CQSZACIVSA-N 0 0 304.415 3.950 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116418498 337392705 /nfs/dbraw/zinc/39/27/05/337392705.db2.gz KBRXMOLOMXXJOE-OCCSQVGLSA-N 0 0 304.415 3.819 10 0 DHAERN Cc1cc(Br)ccc1C(=O)Nc1ccccc1N ZINC000036829249 337394969 /nfs/dbraw/zinc/39/49/69/337394969.db2.gz PWQMZAYRACROOP-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN CC(C)CC1(C(=O)N2CCC(c3ccnn3C)CC2)CCCC1 ZINC000119733296 337394997 /nfs/dbraw/zinc/39/49/97/337394997.db2.gz QVSUDVKLLYJWNY-UHFFFAOYSA-N 0 0 317.477 3.733 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cc(F)cc(F)c1 ZINC000122729427 337396948 /nfs/dbraw/zinc/39/69/48/337396948.db2.gz LFTJWRFUTTZRKY-MRXNPFEDSA-N 0 0 305.372 3.652 10 0 DHAERN O=C(Cc1ccc(Cl)cc1)N1CCC(c2nccs2)CC1 ZINC000040623405 337398685 /nfs/dbraw/zinc/39/86/85/337398685.db2.gz QUCOCIODPPRKTK-UHFFFAOYSA-N 0 0 320.845 3.745 10 0 DHAERN C[C@H]1CC[C@H](C(=O)NCC(c2ccccc2)c2ccccc2)O1 ZINC000123641977 337400184 /nfs/dbraw/zinc/40/01/84/337400184.db2.gz YSAVKEUMDSDCDI-HNAYVOBHSA-N 0 0 309.409 3.502 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2Cc2noc(C3CC3)n2)o1 ZINC000124879196 337407990 /nfs/dbraw/zinc/40/79/90/337407990.db2.gz OQCHPVLPPFQNND-AWEZNQCLSA-N 0 0 301.390 3.830 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)O1 ZINC000125225532 337410099 /nfs/dbraw/zinc/41/00/99/337410099.db2.gz KPCMSBZZDOLHHW-SJCJKPOMSA-N 0 0 321.380 3.736 10 0 DHAERN O=C(CCCC1CCCCC1)N1CCC(c2cc[nH]n2)CC1 ZINC000125504663 337412256 /nfs/dbraw/zinc/41/22/56/337412256.db2.gz MFEKXLVMGMAKOL-UHFFFAOYSA-N 0 0 303.450 3.866 10 0 DHAERN CCCCCC[C@H](CC)C(=O)N1CCC[C@@H](Cn2cncn2)C1 ZINC000126590107 337417148 /nfs/dbraw/zinc/41/71/48/337417148.db2.gz BKFPWLBACSSZIG-SJORKVTESA-N 0 0 320.481 3.513 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N2CCCCC2)O1 ZINC000127107875 337419213 /nfs/dbraw/zinc/41/92/13/337419213.db2.gz NRZFRGCOPHMXRV-MLGOLLRUSA-N 0 0 322.836 3.836 10 0 DHAERN COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ccc(C)o1 ZINC000127530126 337421250 /nfs/dbraw/zinc/42/12/50/337421250.db2.gz CCBBLKKPQHZXCC-MRXNPFEDSA-N 0 0 313.397 3.893 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)c2cccc3c2OCO3)o1 ZINC000127716168 337422134 /nfs/dbraw/zinc/42/21/34/337422134.db2.gz SWNPKZYBMJKTCU-AWEZNQCLSA-N 0 0 313.353 3.684 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)COc2ccc(F)cc2)o1 ZINC000127742760 337422181 /nfs/dbraw/zinc/42/21/81/337422181.db2.gz NDFAWUTVIMGOEA-MRXNPFEDSA-N 0 0 317.360 3.860 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCCCOC2CCCCC2)o1 ZINC000048060197 337432281 /nfs/dbraw/zinc/43/22/81/337432281.db2.gz IIXKZFYEQAHULJ-CQSZACIVSA-N 0 0 308.422 3.688 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000130479609 337433306 /nfs/dbraw/zinc/43/33/06/337433306.db2.gz DRJUSKOBXIGEME-LHHMISFZSA-N 0 0 315.461 3.690 10 0 DHAERN CC(C)(CNC(=O)[C@H]1C[C@@H]1C1CCCCC1)c1ccncc1 ZINC000131872069 337439220 /nfs/dbraw/zinc/43/92/20/337439220.db2.gz VCZHIGGPNDTARW-SJORKVTESA-N 0 0 300.446 3.692 10 0 DHAERN C[C@@H](NC(=O)NCc1ccncc1)c1ccc2ccccc2c1 ZINC000054028838 337453026 /nfs/dbraw/zinc/45/30/26/337453026.db2.gz UWPNXAZPJYVXEJ-CQSZACIVSA-N 0 0 305.381 3.795 10 0 DHAERN CC[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2=O)c1cccs1 ZINC000055965888 337456103 /nfs/dbraw/zinc/45/61/03/337456103.db2.gz HDTMWBQDIPAPLR-PIGZVRMJSA-N 0 0 305.443 3.711 10 0 DHAERN Cc1nc2c(cnn2C)c(N[C@@H](C)c2ccc(F)c(Cl)c2)n1 ZINC000057148097 337457500 /nfs/dbraw/zinc/45/75/00/337457500.db2.gz PDNOGTNJQCIIPW-QMMMGPOBSA-N 0 0 319.771 3.637 10 0 DHAERN O=C(NCc1ccc2ncccc2c1)N1CCC[C@H]1c1ccco1 ZINC000194565411 337462782 /nfs/dbraw/zinc/46/27/82/337462782.db2.gz ABYTWUWUIVJELQ-KRWDZBQOSA-N 0 0 321.380 3.875 10 0 DHAERN O=C(Nc1cccc(OC(F)F)c1)N[C@@H]1COc2ccccc21 ZINC000194732442 337463468 /nfs/dbraw/zinc/46/34/68/337463468.db2.gz NLNLZURPAOPUNU-CYBMUJFWSA-N 0 0 320.295 3.543 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)[C@H]1CCCc2cccnc21 ZINC000194804446 337463909 /nfs/dbraw/zinc/46/39/09/337463909.db2.gz AINWODKMQMCNIZ-ROUUACIJSA-N 0 0 324.399 3.834 10 0 DHAERN COc1ccc(CN2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000195374164 337466280 /nfs/dbraw/zinc/46/62/80/337466280.db2.gz CLIRBQGEWNJLKD-HNNXBMFYSA-N 0 0 301.390 3.539 10 0 DHAERN COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000245974194 337500748 /nfs/dbraw/zinc/50/07/48/337500748.db2.gz FYZGNOGIUHTTTG-FHLIZLRMSA-N 0 0 317.429 3.706 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000246069998 337509004 /nfs/dbraw/zinc/50/90/04/337509004.db2.gz SADSKCRNPCBTRO-XHBSWPGZSA-N 0 0 307.821 3.960 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000246069992 337509065 /nfs/dbraw/zinc/50/90/65/337509065.db2.gz SADSKCRNPCBTRO-HSMVNMDESA-N 0 0 307.821 3.960 10 0 DHAERN CC(C)c1nc(C(=O)N2CCC[C@H](c3nccs3)C2)cs1 ZINC000067048677 337543285 /nfs/dbraw/zinc/54/32/85/337543285.db2.gz XNWGGIDSSMOFOK-NSHDSACASA-N 0 0 321.471 3.743 10 0 DHAERN COc1ccc([C@@H]2CCCN2C(=O)CNc2ccc(C)cc2)cc1 ZINC000072953213 337548986 /nfs/dbraw/zinc/54/89/86/337548986.db2.gz CCUSVUCABHPZNV-IBGZPJMESA-N 0 0 324.424 3.779 10 0 DHAERN COC(=O)[C@H](N[C@@H]1CC[C@@H](C)c2ccccc21)c1cccnc1 ZINC000246698228 337554498 /nfs/dbraw/zinc/55/44/98/337554498.db2.gz XAMWLONFSNVPOK-FSPWUOQZSA-N 0 0 310.397 3.524 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CCO1 ZINC000248532846 337564324 /nfs/dbraw/zinc/56/43/24/337564324.db2.gz FPIPPNBMEFMZEQ-ADAWSYLGSA-N 0 0 301.430 3.946 10 0 DHAERN CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCc3cc(F)ccc32)CCO1 ZINC000248612818 337566140 /nfs/dbraw/zinc/56/61/40/337566140.db2.gz WNDQZUXUMOFNHC-UNEWFSDZSA-N 0 0 305.393 3.525 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccccc2C[S@@](C)=O)CC(C)(C)C1 ZINC000248901618 337568431 /nfs/dbraw/zinc/56/84/31/337568431.db2.gz XIIRDPIWXBCCQT-QOAZOABKSA-N 0 0 321.486 3.966 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000249268755 337570140 /nfs/dbraw/zinc/57/01/40/337570140.db2.gz CLAZJRHOAZUXPI-RCBQFDQVSA-N 0 0 307.821 3.819 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H](c1ccccc1)C(F)(F)F ZINC000250541532 337574164 /nfs/dbraw/zinc/57/41/64/337574164.db2.gz NJSDYPFTOFLAMU-IACUBPJLSA-N 0 0 315.335 3.564 10 0 DHAERN Fc1ccc2ncnc(NC[C@@H]3CCO[C@H]3c3ccccc3)c2c1 ZINC000078357757 337596239 /nfs/dbraw/zinc/59/62/39/337596239.db2.gz PFHSMRPYIRRRIN-KSSFIOAISA-N 0 0 323.371 3.959 10 0 DHAERN CCOc1ccccc1[C@H](CC(C)C)NC(=O)C[C@H](O)C(C)C ZINC000161757363 337596570 /nfs/dbraw/zinc/59/65/70/337596570.db2.gz KJLIWHSCJQWBDV-IRXDYDNUSA-N 0 0 321.461 3.696 10 0 DHAERN Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)c2cc(N)ccc2C)cc1 ZINC000262333787 337616891 /nfs/dbraw/zinc/61/68/91/337616891.db2.gz FTKOHFFGFYQORM-MOPGFXCFSA-N 0 0 324.424 3.536 10 0 DHAERN Cc1cncc(C(=O)N[C@H](C)c2ccccc2Br)c1 ZINC000079295787 337619478 /nfs/dbraw/zinc/61/94/78/337619478.db2.gz CBCXJUMYSCRXBY-LLVKDONJSA-N 0 0 319.202 3.644 10 0 DHAERN Cc1[nH+]c2c(Cl)cccc2c(N2CCC(C(=O)[O-])CC2)c1C ZINC000263489904 337630340 /nfs/dbraw/zinc/63/03/40/337630340.db2.gz IGVPRLLCKJZYRM-UHFFFAOYSA-N 0 0 318.804 3.806 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)CCC2CCOCC2)c2ccccc21 ZINC000162762696 337664753 /nfs/dbraw/zinc/66/47/53/337664753.db2.gz JHEZQPBWADQURD-KDOFPFPSSA-N 0 0 301.430 3.948 10 0 DHAERN CC(C)(C)[C@@H](NC(=O)[C@H]1CCCn2ccnc21)c1cccs1 ZINC000080597021 337680397 /nfs/dbraw/zinc/68/03/97/337680397.db2.gz QGKBPFNPVCJUNF-JSGCOSHPSA-N 0 0 317.458 3.726 10 0 DHAERN CC(C)(C)[C@@H](NC(=O)[C@@H]1CCCn2ccnc21)c1cccs1 ZINC000080597008 337680434 /nfs/dbraw/zinc/68/04/34/337680434.db2.gz QGKBPFNPVCJUNF-OCCSQVGLSA-N 0 0 317.458 3.726 10 0 DHAERN CCn1ccnc1CSCc1nc(-c2ccc(F)cc2)no1 ZINC000083632121 337842587 /nfs/dbraw/zinc/84/25/87/337842587.db2.gz YARSKIRKGCLSOK-UHFFFAOYSA-N 0 0 318.377 3.526 10 0 DHAERN C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[C@H]1c1ccccc1 ZINC000089285782 337868005 /nfs/dbraw/zinc/86/80/05/337868005.db2.gz JWXCEGVNAQNEMT-AHRSYUTCSA-N 0 0 323.436 3.762 10 0 DHAERN Cc1ccc(CC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1O ZINC000089459732 337869781 /nfs/dbraw/zinc/86/97/81/337869781.db2.gz MTXVYXJQVKDQHS-KRWDZBQOSA-N 0 0 313.372 3.576 10 0 DHAERN Cc1ccc(CC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1O ZINC000089459731 337869812 /nfs/dbraw/zinc/86/98/12/337869812.db2.gz MTXVYXJQVKDQHS-QGZVFWFLSA-N 0 0 313.372 3.576 10 0 DHAERN Cc1ccccc1C(C)(C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000058637019 337879370 /nfs/dbraw/zinc/87/93/70/337879370.db2.gz YJGHRQLCEQZNOM-KRWDZBQOSA-N 0 0 309.409 3.913 10 0 DHAERN CC(C)=C(F)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000092070368 337899253 /nfs/dbraw/zinc/89/92/53/337899253.db2.gz ZQHLRLVBINTHHS-UHFFFAOYSA-N 0 0 309.356 3.597 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2ccn(CCC(C)C)n2)cc1 ZINC000122286253 337913677 /nfs/dbraw/zinc/91/36/77/337913677.db2.gz SVILAUQYUDOYHO-CQSZACIVSA-N 0 0 315.417 3.680 10 0 DHAERN COCCCC(=O)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000097699537 337952007 /nfs/dbraw/zinc/95/20/07/337952007.db2.gz UMNILDDXBGZUCE-MRVPVSSYSA-N 0 0 308.180 3.736 10 0 DHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H](C)[C@H]1CCCO1 ZINC000084076980 337999940 /nfs/dbraw/zinc/99/99/40/337999940.db2.gz QMWPSDXEBGTJTC-ZWNOBZJWSA-N 0 0 313.850 3.749 10 0 DHAERN Cc1cc(CCCC(=O)N2CCO[C@H]3CCCC[C@H]32)c(C)s1 ZINC000084529003 338003214 /nfs/dbraw/zinc/00/32/14/338003214.db2.gz CUTAFIHCBZXARD-SJORKVTESA-N 0 0 321.486 3.858 10 0 DHAERN CCc1cc(Br)ccc1NC(=O)c1cccc(N)c1 ZINC000148024306 338072490 /nfs/dbraw/zinc/07/24/90/338072490.db2.gz PFCRPYCQMJULDZ-UHFFFAOYSA-N 0 0 319.202 3.846 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2COc3ccccc32)cc1F ZINC000154553268 338245821 /nfs/dbraw/zinc/24/58/21/338245821.db2.gz VCDQPZMAKDJISH-BLLLJJGKSA-N 0 0 314.360 3.628 10 0 DHAERN O=C(NCc1ccn(C2CCCC2)n1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156658324 338377065 /nfs/dbraw/zinc/37/70/65/338377065.db2.gz YRSUGKHQWSZHLV-QZTJIDSGSA-N 0 0 315.461 3.831 10 0 DHAERN CC(C)[C@@H](O)CC(=O)NC1(c2cccc(Cl)c2)CCCC1 ZINC000162793540 338663186 /nfs/dbraw/zinc/66/31/86/338663186.db2.gz NEHUMIOMFRZHEF-HNNXBMFYSA-N 0 0 309.837 3.633 10 0 DHAERN CSC1(CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000195045329 338845877 /nfs/dbraw/zinc/84/58/77/338845877.db2.gz GIICPIXENHQFAE-SWLSCSKDSA-N 0 0 304.459 3.820 10 0 DHAERN Cc1cc(N[C@@H]2COc3ccccc32)ncc1Br ZINC000166120354 339053084 /nfs/dbraw/zinc/05/30/84/339053084.db2.gz ZVPAYVKEZYYBSM-GFCCVEGCSA-N 0 0 305.175 3.698 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)C(C)(C)c1cccs1 ZINC000172958611 340350085 /nfs/dbraw/zinc/35/00/85/340350085.db2.gz JLNZRUMJTUQZOZ-AWEZNQCLSA-N 0 0 317.454 3.747 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N(C)C1CCCCC1 ZINC000173333799 340362751 /nfs/dbraw/zinc/36/27/51/340362751.db2.gz NNBQEGHPPICGSI-OAHLLOKOSA-N 0 0 304.434 3.566 10 0 DHAERN CC[C@@]1(C)CCCN(C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000173372591 340363530 /nfs/dbraw/zinc/36/35/30/340363530.db2.gz IMJDMKBTDIQNML-QAPCUYQASA-N 0 0 302.418 3.732 10 0 DHAERN CC[C@@]1(C)CCCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000173372623 340363548 /nfs/dbraw/zinc/36/35/48/340363548.db2.gz IMJDMKBTDIQNML-YJBOKZPZSA-N 0 0 302.418 3.732 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000173592336 340368285 /nfs/dbraw/zinc/36/82/85/340368285.db2.gz JNYCJCYGJQDGGU-FHLIZLRMSA-N 0 0 319.420 3.564 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N[C@H](C)CCc1cccn1C ZINC000173834774 340375442 /nfs/dbraw/zinc/37/54/42/340375442.db2.gz LCCDUHSKQHNRDL-CVEARBPZSA-N 0 0 313.445 3.715 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)N[C@H](C)[C@@H]2CCCO2)o1 ZINC000173979251 340379227 /nfs/dbraw/zinc/37/92/27/340379227.db2.gz UAKJYVVBBSPZNA-KBMXLJTQSA-N 0 0 320.433 3.646 10 0 DHAERN CC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCS1 ZINC000174533147 340391088 /nfs/dbraw/zinc/39/10/88/340391088.db2.gz QROKFGPCHJPNLG-JQWIXIFHSA-N 0 0 314.401 3.563 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@H](CSc2ccccc2)C1 ZINC000174743970 340395497 /nfs/dbraw/zinc/39/54/97/340395497.db2.gz VELFAZHUICHOEM-CABCVRRESA-N 0 0 306.475 3.855 10 0 DHAERN C[C@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1ccccc1F ZINC000174820135 340396753 /nfs/dbraw/zinc/39/67/53/340396753.db2.gz FVHGLGGAXHGFAQ-NEPJUHHUSA-N 0 0 322.405 3.715 10 0 DHAERN C[C@@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1cccc(F)c1 ZINC000174822216 340396830 /nfs/dbraw/zinc/39/68/30/340396830.db2.gz IRZKQAJPAOCFFX-RYUDHWBXSA-N 0 0 322.405 3.715 10 0 DHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000174826945 340396925 /nfs/dbraw/zinc/39/69/25/340396925.db2.gz OQEVCLBJISMXHS-OLZOCXBDSA-N 0 0 321.421 3.888 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](c2nc(C3CCCC3)no2)C1 ZINC000174826937 340396996 /nfs/dbraw/zinc/39/69/96/340396996.db2.gz OQEVCLBJISMXHS-CHWSQXEVSA-N 0 0 321.421 3.888 10 0 DHAERN C[C@@H](NC(=O)N(C[C@H]1CCCO1)C1CCCC1)c1cccs1 ZINC000175577891 340415236 /nfs/dbraw/zinc/41/52/36/340415236.db2.gz PWHJBWIVZAJSQB-UKRRQHHQSA-N 0 0 322.474 3.942 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1c(F)cc(Br)cc1F ZINC000087427589 340456901 /nfs/dbraw/zinc/45/69/01/340456901.db2.gz PZIZDSBOGFXUSL-WRWORJQWSA-N 0 0 318.161 3.646 10 0 DHAERN CCCCn1cc(C(=O)N[C@H]2CCCc3ccccc32)c(C)n1 ZINC000184731970 340495398 /nfs/dbraw/zinc/49/53/98/340495398.db2.gz ZDGBDNLALAZEIX-SFHVURJKSA-N 0 0 311.429 3.799 10 0 DHAERN COC(=O)c1ccc(Cl)c(NCc2nccn2C(C)C)c1C ZINC000185228110 340498986 /nfs/dbraw/zinc/49/89/86/340498986.db2.gz DKCHVBBWSSPIDB-UHFFFAOYSA-N 0 0 321.808 3.825 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N(C)[C@H](C)C(=O)OC(C)(C)C ZINC000185766894 340504957 /nfs/dbraw/zinc/50/49/57/340504957.db2.gz AMLJPCDCIMJNBY-LLVKDONJSA-N 0 0 317.385 3.543 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccccc1CCC(F)(F)F ZINC000189256591 340532127 /nfs/dbraw/zinc/53/21/27/340532127.db2.gz SHOQPGQKVUIPEG-WCQYABFASA-N 0 0 315.335 3.935 10 0 DHAERN O=C(Nc1ccc(OC2COC2)cc1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000189612761 340538465 /nfs/dbraw/zinc/53/84/65/340538465.db2.gz BWLRZVCLFGDJFE-QZTJIDSGSA-N 0 0 315.413 3.619 10 0 DHAERN C[C@@H](NC(=O)c1cn2ccnc2s1)c1ccc(Cl)cc1 ZINC000189862624 340540600 /nfs/dbraw/zinc/54/06/00/340540600.db2.gz JOVKDWDBORARBC-SECBINFHSA-N 0 0 305.790 3.540 10 0 DHAERN CCN(C(=O)[C@H]1CCCO[C@H]1C)C12CC3CC(CC(C3)C1)C2 ZINC000191584746 340556226 /nfs/dbraw/zinc/55/62/26/340556226.db2.gz HCRVSZVOLWTNTP-MCMJNGCASA-N 0 0 305.462 3.619 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000191605343 340556415 /nfs/dbraw/zinc/55/64/15/340556415.db2.gz IXNQXWGQGGLDBA-VQIMIIECSA-N 0 0 315.457 3.673 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CC(C)(C)Sc2ccccc21 ZINC000191922772 340560322 /nfs/dbraw/zinc/56/03/22/340560322.db2.gz UTRMSHMWKXRBKT-QWHCGFSZSA-N 0 0 305.443 3.719 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@H](C)CC1)c1ccc(Cl)s1 ZINC000192229443 340564804 /nfs/dbraw/zinc/56/48/04/340564804.db2.gz VNRPOONMPPASKM-ZJUUUORDSA-N 0 0 318.895 4.000 10 0 DHAERN COc1ccc(C(=O)N[C@H]2COc3ccccc32)c2ccccc12 ZINC000194873816 340596723 /nfs/dbraw/zinc/59/67/23/340596723.db2.gz QWOWTPMDLRPWBU-KRWDZBQOSA-N 0 0 319.360 3.712 10 0 DHAERN C[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1cccc(Br)c1 ZINC000230055105 340617783 /nfs/dbraw/zinc/61/77/83/340617783.db2.gz BBJKDBHSWVGIHQ-RISCZKNCSA-N 0 0 310.235 3.844 10 0 DHAERN Cc1cccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000026289457 340704786 /nfs/dbraw/zinc/70/47/86/340704786.db2.gz YEVMKVVIKSNUJX-ZIAGYGMSSA-N 0 0 314.351 3.915 10 0 DHAERN CC(C)c1csc([C@@H]2CCCN(C(=O)Cc3ccoc3)C2)n1 ZINC000126334016 340826209 /nfs/dbraw/zinc/82/62/09/340826209.db2.gz BXQXWQIJQFQAKY-CQSZACIVSA-N 0 0 318.442 3.808 10 0 DHAERN O=C(Nc1cc(-c2ccccc2)on1)N[C@@H]1COc2ccccc21 ZINC000127074552 340843489 /nfs/dbraw/zinc/84/34/89/340843489.db2.gz HTYSBEGAJBOIAU-CQSZACIVSA-N 0 0 321.336 3.597 10 0 DHAERN O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cccc(F)c1 ZINC000128251257 340862757 /nfs/dbraw/zinc/86/27/57/340862757.db2.gz WZQCLBXGXVFMJI-AWEZNQCLSA-N 0 0 311.278 3.729 10 0 DHAERN CCc1cc(C)c(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)o1 ZINC000128346162 340875917 /nfs/dbraw/zinc/87/59/17/340875917.db2.gz SZGHDBWPQIGUGM-CYBMUJFWSA-N 0 0 318.442 3.935 10 0 DHAERN C[C@H]1CCC[C@H](OCc2cccc(NC(=O)[C@@H]3CCCO3)c2)C1 ZINC000068776541 340929968 /nfs/dbraw/zinc/92/99/68/340929968.db2.gz NLFNLLIXTLKRAS-WBAXXEDZSA-N 0 0 317.429 3.899 10 0 DHAERN CCC1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 ZINC000130072324 340996243 /nfs/dbraw/zinc/99/62/43/340996243.db2.gz AAGAOOTVRXOGCA-UQPPLGOBSA-N 0 0 317.429 3.742 10 0 DHAERN Cc1cccc(CCNC(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 ZINC000072056437 341058665 /nfs/dbraw/zinc/05/86/65/341058665.db2.gz IRGSNNZZOMYHCI-CYBMUJFWSA-N 0 0 318.367 3.876 10 0 DHAERN CC[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000132450729 341123519 /nfs/dbraw/zinc/12/35/19/341123519.db2.gz PVHYRAVCADCWKS-KURKYZTESA-N 0 0 301.430 3.551 10 0 DHAERN CC1(C)CCC(CC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000132871616 341148030 /nfs/dbraw/zinc/14/80/30/341148030.db2.gz KRIIEQREJKLCKS-LPHOPBHVSA-N 0 0 307.478 3.747 10 0 DHAERN CC[C@H](C)OCC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000132904730 341149121 /nfs/dbraw/zinc/14/91/21/341149121.db2.gz SMORVBUTGSUGJU-GOEBONIOSA-N 0 0 317.429 3.754 10 0 DHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCn2c3ccccc3nc21 ZINC000133396887 341174484 /nfs/dbraw/zinc/17/44/84/341174484.db2.gz ZDCQHSDSFXMGNT-CABCVRRESA-N 0 0 309.413 3.599 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000133677419 341181377 /nfs/dbraw/zinc/18/13/77/341181377.db2.gz DHJQKWBLNURAAP-CHWSQXEVSA-N 0 0 310.825 3.547 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCOC(C)(C)C2)cc1 ZINC000076958153 341216345 /nfs/dbraw/zinc/21/63/45/341216345.db2.gz SKPXSFNLMQYXSO-SJORKVTESA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2cccc(O)c2)cc1 ZINC000077613685 341227339 /nfs/dbraw/zinc/22/73/39/341227339.db2.gz AISORZHAWIDGTN-UXHICEINSA-N 0 0 323.436 3.978 10 0 DHAERN CCC1CCC(NC(=O)Cc2c(C)nn(CC(C)C)c2C)CC1 ZINC000078233760 341238602 /nfs/dbraw/zinc/23/86/02/341238602.db2.gz VOINYGKXOMTFNW-UHFFFAOYSA-N 0 0 319.493 3.783 10 0 DHAERN C[C@H](NC(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccc2ccccc2c1 ZINC000136354162 341257252 /nfs/dbraw/zinc/25/72/52/341257252.db2.gz VXFAYSKAHMBEPX-KKUMJFAQSA-N 0 0 312.413 3.720 10 0 DHAERN CC(C)(C)Oc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000079412663 341258582 /nfs/dbraw/zinc/25/85/82/341258582.db2.gz YRHORBZHPOSETK-DLBZAZTESA-N 0 0 317.429 3.648 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000136712831 341265808 /nfs/dbraw/zinc/26/58/08/341265808.db2.gz WNTPNCNATTVSOG-KUHUBIRLSA-N 0 0 309.409 3.740 10 0 DHAERN Cc1cc(CN(C)[C@H](C)C(=O)OC(C)(C)C)c2ccccc2n1 ZINC000081567512 341296608 /nfs/dbraw/zinc/29/66/08/341296608.db2.gz MNPRGRNGCHADMZ-CQSZACIVSA-N 0 0 314.429 3.705 10 0 DHAERN Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000081937642 341310610 /nfs/dbraw/zinc/31/06/10/341310610.db2.gz RMYKHIMUAZPSMZ-YOEHRIQHSA-N 0 0 318.461 3.750 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)n1C ZINC000245943267 341319145 /nfs/dbraw/zinc/31/91/45/341319145.db2.gz VIGMIBWPHDYQPV-JDSLSITLSA-N 0 0 318.852 3.518 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@@H](C)O2)CC[C@@H]1c1ccccc1 ZINC000246047754 341322869 /nfs/dbraw/zinc/32/28/69/341322869.db2.gz PSWGXIJKXWSIDJ-LMSBXDPUSA-N 0 0 301.430 3.596 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@H](C)O)cc1 ZINC000246068016 341323579 /nfs/dbraw/zinc/32/35/79/341323579.db2.gz DSUMPZZRGYJFJF-QZHFEQFPSA-N 0 0 315.457 3.675 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)O1 ZINC000246077749 341324009 /nfs/dbraw/zinc/32/40/09/341324009.db2.gz SYFFIEXARMJEER-DQYPLSBCSA-N 0 0 305.393 3.741 10 0 DHAERN CC(C)[C@H](C(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccccc1 ZINC000246239103 341337115 /nfs/dbraw/zinc/33/71/15/341337115.db2.gz UKWLDOPIJURLLI-KURKYZTESA-N 0 0 301.430 3.596 10 0 DHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H](C)c2ccc(C)o2)C1 ZINC000246387125 341346654 /nfs/dbraw/zinc/34/66/54/341346654.db2.gz KIBXYGKRLUUXOW-HZSPNIEDSA-N 0 0 310.463 3.965 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000246523312 341352592 /nfs/dbraw/zinc/35/25/92/341352592.db2.gz ITQZOBUFNCKHPK-LSDHHAIUSA-N 0 0 304.434 3.595 10 0 DHAERN C[C@H](NC(=O)N1C[C@@H]2CCCC[C@H]2C1)c1ccc(F)c(F)c1 ZINC000246664003 341355363 /nfs/dbraw/zinc/35/53/63/341355363.db2.gz PIRUUVIICVCWJL-UBHSHLNASA-N 0 0 308.372 3.857 10 0 DHAERN C[C@H](NC(=O)[C@H]1[C@@H]2CCC[C@@H]21)c1ccccc1Br ZINC000246840361 341357642 /nfs/dbraw/zinc/35/76/42/341357642.db2.gz LHRNBQOAXBHNAY-PQFRYHKHSA-N 0 0 308.219 3.672 10 0 DHAERN CO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000247086582 341360832 /nfs/dbraw/zinc/36/08/32/341360832.db2.gz UBWKSMJXKQRLQL-KZNAEPCWSA-N 0 0 301.430 3.551 10 0 DHAERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H]1C ZINC000247453189 341365317 /nfs/dbraw/zinc/36/53/17/341365317.db2.gz PIHOPGCBABLWKZ-FDYHWXHSSA-N 0 0 306.372 3.938 10 0 DHAERN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CC[C@H](C)O1 ZINC000248071343 341373090 /nfs/dbraw/zinc/37/30/90/341373090.db2.gz QJDNGBGKBRENEP-BFVZDQMLSA-N 0 0 316.228 3.608 10 0 DHAERN C[C@@H]1CCCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249431644 341397557 /nfs/dbraw/zinc/39/75/57/341397557.db2.gz JUIWQXVJVMPOKW-JHJVBQTASA-N 0 0 306.372 3.939 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000249518481 341398703 /nfs/dbraw/zinc/39/87/03/341398703.db2.gz IOLYTMXZRGFMGX-VBNZEHGJSA-N 0 0 322.836 3.754 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H](c2ccccc2)CC1 ZINC000253277804 341452557 /nfs/dbraw/zinc/45/25/57/341452557.db2.gz MNUQOUNMPCLTOT-CGTJXYLNSA-N 0 0 301.430 3.598 10 0 DHAERN COc1cccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1F ZINC000153165635 341527980 /nfs/dbraw/zinc/52/79/80/341527980.db2.gz JLKQRLXJOQFKNQ-OAHLLOKOSA-N 0 0 317.335 3.781 10 0 DHAERN CC[C@@](C)(CCO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000153452984 341541032 /nfs/dbraw/zinc/54/10/32/341541032.db2.gz RWJVOLOJWFFWRS-KUHUBIRLSA-N 0 0 314.429 3.751 10 0 DHAERN C[C@@H](NC(=O)c1cc(Cl)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000154560200 341591454 /nfs/dbraw/zinc/59/14/54/341591454.db2.gz BDBLEMOGSJVHNO-PRHODGIISA-N 0 0 321.726 3.656 10 0 DHAERN C[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)[C@@H]1CCCO1 ZINC000157545440 341640120 /nfs/dbraw/zinc/64/01/20/341640120.db2.gz ITEKFRXDBZRZPW-YGRLFVJLSA-N 0 0 323.845 3.781 10 0 DHAERN CCCC1(CNC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000164211027 341704182 /nfs/dbraw/zinc/70/41/82/341704182.db2.gz IVIBJOBNZXMTKT-RYUDHWBXSA-N 0 0 306.372 3.987 10 0 DHAERN CCCN(Cc1nnc(C2CC2)n1C)c1ccc(Cl)cc1 ZINC000171963142 341789057 /nfs/dbraw/zinc/78/90/57/341789057.db2.gz UBYFEUNQFZDSGR-UHFFFAOYSA-N 0 0 304.825 3.763 10 0 DHAERN CCCN(C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)C1CC1 ZINC000177652452 341922632 /nfs/dbraw/zinc/92/26/32/341922632.db2.gz QNGSFWALQOEBKG-OAHLLOKOSA-N 0 0 302.418 3.873 10 0 DHAERN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@@H](C)C(C)C)c1 ZINC000129793789 519522726 /nfs/dbraw/zinc/52/27/26/519522726.db2.gz OMZPFWWPBAUXDR-NSHDSACASA-N 0 0 310.825 3.709 10 0 DHAERN CC(C)COc1ccc([C@@H](C)NC(=O)Cc2cncs2)cc1 ZINC000189384954 519763491 /nfs/dbraw/zinc/76/34/91/519763491.db2.gz ZKHOIFXWMZFYFC-CYBMUJFWSA-N 0 0 318.442 3.598 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000124585660 519812826 /nfs/dbraw/zinc/81/28/26/519812826.db2.gz NISLGUZWIMDTDJ-GUYCJALGSA-N 0 0 315.392 3.654 10 0 DHAERN CC(C)[C@H](O)Cc1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000133342570 519823742 /nfs/dbraw/zinc/82/37/42/519823742.db2.gz UROICIHGPZWZSX-LLVKDONJSA-N 0 0 301.173 3.603 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CC[C@@H](C)O3)C2)n1 ZINC000156954030 519857476 /nfs/dbraw/zinc/85/74/76/519857476.db2.gz ILJPZMDGJPOHHW-VNHYZAJKSA-N 0 0 322.474 3.540 10 0 DHAERN CC(C)c1nc(CN2CCc3c(nc(C(C)C)n3C)C2)cs1 ZINC000106373896 519863370 /nfs/dbraw/zinc/86/33/70/519863370.db2.gz LSINEEHVMOTYIH-UHFFFAOYSA-N 0 0 318.490 3.682 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@H](c2nncn2CC)C1 ZINC000175389530 519940306 /nfs/dbraw/zinc/94/03/06/519940306.db2.gz ZENABSOYGHVDGU-HNNXBMFYSA-N 0 0 320.481 3.611 10 0 DHAERN CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C)cccc1C ZINC000177907612 521135626 /nfs/dbraw/zinc/13/56/26/521135626.db2.gz CWYFWKNEEWHXMU-AWEZNQCLSA-N 0 0 320.433 3.935 10 0 DHAERN CCOC(=O)[C@H](c1nc(-c2ccccc2C)no1)c1ccccc1 ZINC000057353608 521274976 /nfs/dbraw/zinc/27/49/76/521274976.db2.gz QWHYEHKPOSSNFS-INIZCTEOSA-N 0 0 322.364 3.740 10 0 DHAERN CCC1(C(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CCCCC1 ZINC000187763973 521665064 /nfs/dbraw/zinc/66/50/64/521665064.db2.gz CTXFAPIFNMPLRB-HOTGVXAUSA-N 0 0 321.486 3.643 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H](C)c2ccc(C)o2)CCC1 ZINC000161991284 521687409 /nfs/dbraw/zinc/68/74/09/521687409.db2.gz MFHUCDGKJWPFFS-AWEZNQCLSA-N 0 0 308.422 3.545 10 0 DHAERN CCc1cccc(NC(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 ZINC000111706674 521759781 /nfs/dbraw/zinc/75/97/81/521759781.db2.gz RYDYKYUWTUDMLS-KRWDZBQOSA-N 0 0 312.417 3.623 10 0 DHAERN CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccsc1 ZINC000118628361 521852836 /nfs/dbraw/zinc/85/28/36/521852836.db2.gz REKMUAXKXSFXSF-SWLSCSKDSA-N 0 0 316.426 3.531 10 0 DHAERN COC[C@@H](C)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1 ZINC000103362201 522174515 /nfs/dbraw/zinc/17/45/15/522174515.db2.gz UPPBWEWXYMHQMZ-CYBMUJFWSA-N 0 0 317.360 3.517 10 0 DHAERN COC[C@@H](C)C(=O)NCC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000173634316 522174982 /nfs/dbraw/zinc/17/49/82/522174982.db2.gz WPXCURKRPCOWEG-NWDGAFQWSA-N 0 0 317.351 3.598 10 0 DHAERN CCc1nc(CC(=O)N2CCCC[C@@H]2c2ccc(C)o2)cs1 ZINC000127567818 522252259 /nfs/dbraw/zinc/25/22/59/522252259.db2.gz UYMAMKDDLJTFAL-CQSZACIVSA-N 0 0 318.442 3.903 10 0 DHAERN CC[C@@H](NCc1noc(C(C)(C)C)n1)c1cc(F)ccc1F ZINC000179798491 522898719 /nfs/dbraw/zinc/89/87/19/522898719.db2.gz YDIQCPLWYVINQR-CYBMUJFWSA-N 0 0 309.360 3.886 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2cccc(C(F)F)c2)CC1 ZINC000180133178 522903740 /nfs/dbraw/zinc/90/37/40/522903740.db2.gz AKNFLSBFVNZAMT-UHFFFAOYSA-N 0 0 311.328 3.542 10 0 DHAERN CC[C@@H](Nc1cccc(-n2nc(C)cc2C)c1)c1nccn1C ZINC000182875221 522961056 /nfs/dbraw/zinc/96/10/56/522961056.db2.gz ZGJCZZXMFLNOOC-QGZVFWFLSA-N 0 0 309.417 3.786 10 0 DHAERN CCc1sc([C@@H](C)Nc2c(C)c(C)nc3ncnn32)cc1C ZINC000157789019 523076449 /nfs/dbraw/zinc/07/64/49/523076449.db2.gz DBEROCAPGBGGMI-GFCCVEGCSA-N 0 0 315.446 3.847 10 0 DHAERN COCCCC(=O)NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000156636489 523081546 /nfs/dbraw/zinc/08/15/46/523081546.db2.gz UUEREJCYHOOSTA-MFKMUULPSA-N 0 0 316.228 3.640 10 0 DHAERN CC[C@@H](c1ccc(F)cc1)N1CCO[C@H](c2cnn(CC)c2)C1 ZINC000190749555 523092142 /nfs/dbraw/zinc/09/21/42/523092142.db2.gz OJSWDLQYPMDFLV-ROUUACIJSA-N 0 0 317.408 3.567 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccccc1F)C1CCCC1 ZINC000181488237 523157493 /nfs/dbraw/zinc/15/74/93/523157493.db2.gz DWORBNDNKPAZTJ-SFHVURJKSA-N 0 0 316.424 3.767 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cc(C)cc(C)c3)CC2)cn1 ZINC000124098159 523353287 /nfs/dbraw/zinc/35/32/87/523353287.db2.gz QUIHZRDLRZOETO-UHFFFAOYSA-N 0 0 311.429 3.540 10 0 DHAERN CCc1ccc(-c2csc(NC(=O)[C@@H](C)COC)n2)cc1 ZINC000103358240 523857090 /nfs/dbraw/zinc/85/70/90/523857090.db2.gz FIVUESVAZRKNHF-NSHDSACASA-N 0 0 304.415 3.594 10 0 DHAERN COC(=O)[C@H](NC1CC(c2ccc(F)cc2)C1)c1ccccc1 ZINC000237119452 523924678 /nfs/dbraw/zinc/92/46/78/523924678.db2.gz GRPIGGJPQYMSNB-VMWRSERWSA-N 0 0 313.372 3.576 10 0 DHAERN COc1ccc(CN2CCCC[C@@H]2c2nccs2)cc1O ZINC000127665592 524026499 /nfs/dbraw/zinc/02/64/99/524026499.db2.gz GIPBXPAUKSIBCR-CYBMUJFWSA-N 0 0 304.415 3.585 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CC2CCOCC2)o1 ZINC000128455832 524053235 /nfs/dbraw/zinc/05/32/35/524053235.db2.gz LZVFURRBQKBBJO-MRXNPFEDSA-N 0 0 305.418 3.712 10 0 DHAERN CNC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000172836014 524080098 /nfs/dbraw/zinc/08/00/98/524080098.db2.gz ZHNMQAPVYJNXOQ-JKSUJKDBSA-N 0 0 315.417 3.593 10 0 DHAERN COc1cccc2c1CCN(C(=O)N[C@@H](C)c1cccs1)C2 ZINC000182405392 524207998 /nfs/dbraw/zinc/20/79/98/524207998.db2.gz WJPWVRKPULMPTK-LBPRGKRZSA-N 0 0 316.426 3.586 10 0 DHAERN COc1ccccc1CN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000127860553 524448997 /nfs/dbraw/zinc/44/89/97/524448997.db2.gz VIYRDUQZGGIXHC-CQSZACIVSA-N 0 0 301.390 3.539 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)O1 ZINC000157523706 524640150 /nfs/dbraw/zinc/64/01/50/524640150.db2.gz JVHIFGSAQVABIP-BDJLRTHQSA-N 0 0 307.365 3.653 10 0 DHAERN Cc1ccc(C[C@@H](C)C(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000181901151 524651977 /nfs/dbraw/zinc/65/19/77/524651977.db2.gz WJGDHNSKAZUMFC-QAPCUYQASA-N 0 0 311.429 3.651 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCCO[C@@H]2C)c1C ZINC000188037165 524848681 /nfs/dbraw/zinc/84/86/81/524848681.db2.gz LCRKLMUQALNYIV-NJAFHUGGSA-N 0 0 301.430 3.782 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(Cl)c1Br ZINC000191733324 524850640 /nfs/dbraw/zinc/85/06/40/524850640.db2.gz QZXIODAWZLBDHK-RCOVLWMOSA-N 0 0 303.587 3.632 10 0 DHAERN C[C@H]1C[C@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000160591400 524962581 /nfs/dbraw/zinc/96/25/81/524962581.db2.gz NFAGTDKAEYMONV-QUBYGPBYSA-N 0 0 322.124 3.606 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000191160411 525014455 /nfs/dbraw/zinc/01/44/55/525014455.db2.gz WANAJMSHQGNHGF-SCZZXKLOSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000191569387 525015320 /nfs/dbraw/zinc/01/53/20/525015320.db2.gz PCNKKXODNBXDKU-RISCZKNCSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@H](NC(=O)N[C@H](CCCO)c1ccccc1)c1cccs1 ZINC000172593434 525099179 /nfs/dbraw/zinc/09/91/79/525099179.db2.gz RTPWSLCTISEFKF-DZGCQCFKSA-N 0 0 318.442 3.622 10 0 DHAERN Cc1ccc(NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cc1 ZINC000176329072 525131236 /nfs/dbraw/zinc/13/12/36/525131236.db2.gz WGVRWXTVWPCVPY-AWEZNQCLSA-N 0 0 314.389 3.870 10 0 DHAERN C[C@]1(C(=O)N2CCC[C@@H]2c2cccs2)CC1(Cl)Cl ZINC000068783134 525191225 /nfs/dbraw/zinc/19/12/25/525191225.db2.gz FAKNRQYKHJNZJX-BXKDBHETSA-N 0 0 304.242 3.996 10 0 DHAERN CSCCCCCNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000188186556 525423904 /nfs/dbraw/zinc/42/39/04/525423904.db2.gz HYHMOBHDHGOTIE-SJORKVTESA-N 0 0 321.486 3.804 10 0 DHAERN C[C@H](NCc1nnc(C2CC2)n1C)c1cccc(C(F)(F)F)c1 ZINC000181601572 525495917 /nfs/dbraw/zinc/49/59/17/525495917.db2.gz PJETXRZXGZLTMP-JTQLQIEISA-N 0 0 324.350 3.562 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000187984740 525558579 /nfs/dbraw/zinc/55/85/79/525558579.db2.gz LPVCHOXDRBGEBC-KBXCAEBGSA-N 0 0 317.429 3.899 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000188490695 525559720 /nfs/dbraw/zinc/55/97/20/525559720.db2.gz NDGSSDHIJHIXEC-XJKSGUPXSA-N 0 0 312.369 3.628 10 0 DHAERN CSCC[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000134313742 525563543 /nfs/dbraw/zinc/56/35/43/525563543.db2.gz GHAYVPILVWHOGY-UHTWSYAYSA-N 0 0 313.413 3.668 10 0 DHAERN Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000152116410 525573541 /nfs/dbraw/zinc/57/35/41/525573541.db2.gz XEJSECFPJQDKNI-DLBZAZTESA-N 0 0 324.424 3.559 10 0 DHAERN COc1ccc2sc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c(C)c2c1 ZINC000172767040 525696486 /nfs/dbraw/zinc/69/64/86/525696486.db2.gz PCIKUNADLURIOH-FZMZJTMJSA-N 0 0 319.426 3.516 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)c2nc(Cc3ccccc3)no2)o1 ZINC000182599032 525742551 /nfs/dbraw/zinc/74/25/51/525742551.db2.gz RKDPNGOMOSYZNK-KGLIPLIRSA-N 0 0 311.385 3.974 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CC[C@@H]2CCCCO2)o1 ZINC000127625413 525797161 /nfs/dbraw/zinc/79/71/61/525797161.db2.gz CWZFPHFJCFYJIZ-HOTGVXAUSA-N 0 0 305.418 3.991 10 0 DHAERN COc1cccc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)c1O ZINC000127535209 525797444 /nfs/dbraw/zinc/79/74/44/525797444.db2.gz YFWPLTRPYORBEB-AWEZNQCLSA-N 0 0 315.369 3.670 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000188490137 525852480 /nfs/dbraw/zinc/85/24/80/525852480.db2.gz TVDONIMDFLTRRS-MIGQKNRLSA-N 0 0 305.418 3.703 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227816092 526046166 /nfs/dbraw/zinc/04/61/66/526046166.db2.gz PHWPXPKXLCSUKF-VDDIYKPWSA-N 0 0 302.201 3.707 10 0 DHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000188654823 526251335 /nfs/dbraw/zinc/25/13/35/526251335.db2.gz LBQSPMPCOUPUHP-ZYHUDNBSSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1ccc2nc(NCc3cn(C(C)(C)C)nn3)sc2c1 ZINC000191517994 526253817 /nfs/dbraw/zinc/25/38/17/526253817.db2.gz MFSXCPFDDDIQLW-UHFFFAOYSA-N 0 0 301.419 3.563 10 0 DHAERN Cc1ccc2ncc(CN3CCCC[C@@H]3c3nccs3)n2c1 ZINC000127745267 526257536 /nfs/dbraw/zinc/25/75/36/526257536.db2.gz OUJAOJWKDDEYGV-OAHLLOKOSA-N 0 0 312.442 3.826 10 0 DHAERN Fc1ccc(Oc2ccnc(NCCC3=CCOCC3)n2)cc1 ZINC000158147100 526359572 /nfs/dbraw/zinc/35/95/72/526359572.db2.gz DQYZFDLPFGXLBK-UHFFFAOYSA-N 0 0 315.348 3.557 10 0 DHAERN Cc1noc(C)c1CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130220615 526513016 /nfs/dbraw/zinc/51/30/16/526513016.db2.gz QIGABVSXUPNDDD-IRXDYDNUSA-N 0 0 312.413 3.835 10 0 DHAERN Cc1noc(C)c1C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156927211 526536253 /nfs/dbraw/zinc/53/62/53/526536253.db2.gz GHUHBDVAXJQXTR-YMRXKLBXSA-N 0 0 304.434 3.555 10 0 DHAERN c1csc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)c1 ZINC000157737444 526589462 /nfs/dbraw/zinc/58/94/62/526589462.db2.gz YCLCLLVAGKVBAW-QGZVFWFLSA-N 0 0 310.422 3.870 10 0 DHAERN O=C(Nc1cc(Cl)ccc1F)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180612121 527111463 /nfs/dbraw/zinc/11/14/63/527111463.db2.gz IWYUIZQKPRCCBO-CQSZACIVSA-N 0 0 322.771 3.961 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000182148961 527188359 /nfs/dbraw/zinc/18/83/59/527188359.db2.gz QIMHFFPTWYZRTF-JKSUJKDBSA-N 0 0 320.387 3.687 10 0 DHAERN CC[C@H]1CC[C@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)O1 ZINC000299752445 529258078 /nfs/dbraw/zinc/25/80/78/529258078.db2.gz UDSMGRADAWQYAR-CAOSSQGBSA-N 0 0 314.385 3.945 10 0 DHAERN CCc1cc2c(ncnc2N(C)Cc2nc(C)cs2)s1 ZINC000301287049 536158680 /nfs/dbraw/zinc/15/86/80/536158680.db2.gz NEWRGRMPXFNZPS-UHFFFAOYSA-N 0 0 304.444 3.655 10 0 DHAERN CCOc1ccc(-c2ccc(C(N)=O)cc2Br)cc1 ZINC000725263758 563570319 /nfs/dbraw/zinc/57/03/19/563570319.db2.gz FXUXVLACTGIYRC-UHFFFAOYSA-N 0 0 320.186 3.614 10 0 DHAERN Cc1coc2c1[C@@H](OC(=O)C(C)C)[C@]1(C)[C@@H](C)CCC[C@]1(O)C2 ZINC000004098275 560195416 /nfs/dbraw/zinc/19/54/16/560195416.db2.gz WWBNAQLGGJMUOJ-BIGGFVEDSA-N 0 0 320.429 3.942 10 0 biogenic,in-vitro DHAERN CCCCOC(=O)C(=Cc1ccccc1)C(=O)OCCCC ZINC000146253260 563437326 /nfs/dbraw/zinc/43/73/26/563437326.db2.gz PUXMGRWRNPUWCR-UHFFFAOYSA-N 0 0 304.386 3.757 10 0 DHAERN CCc1ccc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccccc3)C2)cc1 ZINC000034708617 563451077 /nfs/dbraw/zinc/45/10/77/563451077.db2.gz JLPDONVLFQJCSE-VQTJNVASSA-N 0 0 323.436 3.939 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4[C@H](O)C(=O)CC[C@]43C)[C@@H]1CCCC2=O ZINC000035565068 563453565 /nfs/dbraw/zinc/45/35/65/563453565.db2.gz PSDYUQOKDCQVKL-JFBKEYHMSA-N 0 0 318.457 3.528 10 0 DHAERN CCOC(=O)c1ccc(CP(=O)(OCC)OCC)cc1 ZINC000047818657 563466320 /nfs/dbraw/zinc/46/63/20/563466320.db2.gz OFUCEQWVGVURAS-UHFFFAOYSA-N 0 0 300.291 3.629 10 0 DHAERN CCc1ncn(-c2cccc(C(C)C)c2)c(=O)c1Br ZINC000725243456 563525587 /nfs/dbraw/zinc/52/55/87/563525587.db2.gz IRAGELFHUFMXPH-UHFFFAOYSA-N 0 0 321.218 3.681 10 0 DHAERN COC(=O)c1cc(Cl)nc2cc(OC(F)(F)F)ccc21 ZINC000095912938 563530540 /nfs/dbraw/zinc/53/05/40/563530540.db2.gz UFYUIVRHRIUGHE-UHFFFAOYSA-N 0 0 305.639 3.573 10 0 DHAERN NC(=O)c1ccc(-c2cccc3occc32)c(Br)c1 ZINC000725263349 563569650 /nfs/dbraw/zinc/56/96/50/563569650.db2.gz PSGSOWGAMMCNJM-UHFFFAOYSA-N 0 0 316.154 3.961 10 0 DHAERN CCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)cc1N ZINC000222957415 563729963 /nfs/dbraw/zinc/72/99/63/563729963.db2.gz QUAXPMCGRPZNEG-UHFFFAOYSA-N 0 0 303.337 3.744 10 0 DHAERN COc1nsc(OC)c1-c1cc(Br)c(C)s1 ZINC000669380164 563870157 /nfs/dbraw/zinc/87/01/57/563870157.db2.gz SJDUCYZABCDIBS-UHFFFAOYSA-N 0 0 320.233 3.960 10 0 DHAERN Nc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000226267029 563913554 /nfs/dbraw/zinc/91/35/54/563913554.db2.gz WJPIRJBUNRRSCZ-UHFFFAOYSA-N 0 0 315.804 3.775 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](c3ccccc3F)n3nnnc3N2)cc1C ZINC000002919761 563941055 /nfs/dbraw/zinc/94/10/55/563941055.db2.gz RQGDRHNFZNGOBN-DLBZAZTESA-N 0 0 323.375 3.575 10 0 DHAERN Cc1ccc(Cl)cc1NC(=O)N1CCN(C)c2ncccc21 ZINC000020860632 563961657 /nfs/dbraw/zinc/96/16/57/563961657.db2.gz QHKABRUEISRRBZ-UHFFFAOYSA-N 0 0 316.792 3.532 10 0 aggregator DHAERN Oc1c(Br)cc(-n2cccc2)cc1Br ZINC000226245116 568420650 /nfs/dbraw/zinc/42/06/50/568420650.db2.gz LEIBCQMVMNOOSN-UHFFFAOYSA-N 0 0 316.980 3.708 10 0 DHAERN CS[C@@H]1CC[N@H+](Cc2c3ccccc3sc2C(=O)[O-])C1 ZINC000382880266 971837189 /nfs/dbraw/zinc/83/71/89/971837189.db2.gz LUQBANCDYPOKMM-SNVBAGLBSA-N 0 0 307.440 3.537 10 0 DHAERN C[C@@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000722138058 955193108 /nfs/dbraw/zinc/19/31/08/955193108.db2.gz FRZFPGPZCPAMMC-QMTHXVAHSA-N 0 0 316.228 3.579 10 0 DHAERN COc1ccc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1cccs1 ZINC000131833812 958756348 /nfs/dbraw/zinc/75/63/48/958756348.db2.gz CZOUEKUIOKZBHR-LLVKDONJSA-N 0 0 305.399 3.648 10 0 DHAERN C[C@@H]([NH2+]Cc1ccccc1CC(=O)[O-])c1ccccc1Cl ZINC000167618009 959351284 /nfs/dbraw/zinc/35/12/84/959351284.db2.gz OMOHOEWZUXQZJN-GFCCVEGCSA-N 0 0 303.789 3.818 10 0 DHAERN Cc1cc([C@H](C)NC(=O)N2CCC(OCC(C)C)CC2)c(C)o1 ZINC000067727637 1013781006 /nfs/dbraw/zinc/78/10/06/1013781006.db2.gz ZRPJQPHBUYPKDJ-AWEZNQCLSA-N 0 0 322.449 3.804 10 0 DHAERN Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(C)n1 ZINC000048678846 1016298174 /nfs/dbraw/zinc/29/81/74/1016298174.db2.gz QMGFZOBKXOGIIE-VIFPVBQESA-N 0 0 301.415 3.532 10 0 DHAERN CC(C)[C@@H](C)CC(=O)NC[C@H](C)c1nc(-c2ccccc2)no1 ZINC000089953848 1032376396 /nfs/dbraw/zinc/37/63/96/1032376396.db2.gz FZBZWFNWJMDNMU-KBPBESRZSA-N 0 0 315.417 3.639 10 0 DHAERN CC(=O)c1ccc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)cc1C ZINC000089918414 1032373356 /nfs/dbraw/zinc/37/33/56/1032373356.db2.gz XVUKRKHMZVDHRO-XIKOKIGWSA-N 0 0 309.365 3.701 10 0 DHAERN Fc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202701 1032389093 /nfs/dbraw/zinc/38/90/93/1032389093.db2.gz JFICDZDRACUNEK-HNNXBMFYSA-N 0 0 317.751 3.741 10 0 DHAERN O=C(c1cccc2ncccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000067047881 1030520727 /nfs/dbraw/zinc/52/07/27/1030520727.db2.gz GQVNONTWDTXHGF-CYBMUJFWSA-N 0 0 323.421 3.711 10 0 DHAERN CC(C)CCSCC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000067048414 1030523012 /nfs/dbraw/zinc/52/30/12/1030523012.db2.gz YMEYBFUVHNVLRL-CYBMUJFWSA-N 0 0 312.504 3.628 10 0 DHAERN C[C@H]1COC[C@H](C)N1Cc1ncc(-c2ccccc2Cl)o1 ZINC000075766241 1030686524 /nfs/dbraw/zinc/68/65/24/1030686524.db2.gz HCZUXXFPLDCAGE-RYUDHWBXSA-N 0 0 306.793 3.604 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3)C2)cc1 ZINC000078187622 1030920080 /nfs/dbraw/zinc/92/00/80/1030920080.db2.gz DZDPGRYITVQZLH-CJNGLKHVSA-N 0 0 313.372 3.853 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)c2ncc(F)cc2F)c2ccccc21 ZINC000190490105 334928713 /nfs/dbraw/zinc/92/87/13/334928713.db2.gz YIMCMILBLAMHTF-BONVTDFDSA-N 0 0 302.324 3.728 10 0 DHAERN CC(C)(C)c1cnc(I)cc1OC1CC1 ZINC000095721833 185383371 /nfs/dbraw/zinc/38/33/71/185383371.db2.gz QFYLCVRKPDWCMA-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)c1cccc(OC2CC2)c1I ZINC000095725094 185383520 /nfs/dbraw/zinc/38/35/20/185383520.db2.gz CARAGNXTPMNJCD-UHFFFAOYSA-N 0 0 302.155 3.956 10 0 DHAERN CSc1c(I)cccc1OC1CC1 ZINC000095732546 185383683 /nfs/dbraw/zinc/38/36/83/185383683.db2.gz VHCDCNHBDOPHRX-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000079433943 185171407 /nfs/dbraw/zinc/17/14/07/185171407.db2.gz IZBDPCAPNCWZEZ-PWSUYJOCSA-N 0 0 321.289 3.745 10 0 DHAERN O=Cc1cc2cc(Br)cc(Br)c2o1 ZINC000083228801 185221162 /nfs/dbraw/zinc/22/11/62/185221162.db2.gz JFVXVCJFPBOTLS-UHFFFAOYSA-N 0 0 303.937 3.770 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1ccc(Br)c(C)c1 ZINC000087406505 185224077 /nfs/dbraw/zinc/22/40/77/185224077.db2.gz WZBFRNKASWGAKH-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN COc1ccc(N[C@@H](C)c2cn(C)nc2C)cc1Br ZINC000088317968 185245378 /nfs/dbraw/zinc/24/53/78/185245378.db2.gz NBIDXGUIFDJJJO-VIFPVBQESA-N 0 0 324.222 3.673 10 0 DHAERN COc1ccc(N[C@H](C)c2cn(C)nc2C)cc1Br ZINC000088317966 185245500 /nfs/dbraw/zinc/24/55/00/185245500.db2.gz NBIDXGUIFDJJJO-SECBINFHSA-N 0 0 324.222 3.673 10 0 DHAERN CCCCc1nc(Cl)c(CNCc2ccc(F)cc2F)[nH]1 ZINC000088399190 185248445 /nfs/dbraw/zinc/24/84/45/185248445.db2.gz RDKNAINJRUCLDT-UHFFFAOYSA-N 0 0 313.779 3.974 10 0 DHAERN CCCCc1nc(Cl)c(CN[C@H](C)c2cccc(O)c2)[nH]1 ZINC000088398962 185248565 /nfs/dbraw/zinc/24/85/65/185248565.db2.gz RPZGDDXDIQJROU-LLVKDONJSA-N 0 0 307.825 3.962 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccc(Cl)cc1 ZINC000088559935 185258045 /nfs/dbraw/zinc/25/80/45/185258045.db2.gz PHIPLCSUYCYSCL-BXUZGUMPSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1ccccc1C(F)(F)F ZINC000090224010 185287217 /nfs/dbraw/zinc/28/72/17/185287217.db2.gz DJFSUSPQYCNPDY-IINYFYTJSA-N 0 0 324.350 3.791 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1oc2ccccc2c1C ZINC000090225123 185287552 /nfs/dbraw/zinc/28/75/52/185287552.db2.gz OLMPMMKINQOZCA-WFASDCNBSA-N 0 0 310.401 3.827 10 0 DHAERN Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nc2ccnn21 ZINC000090487050 185298783 /nfs/dbraw/zinc/29/87/83/185298783.db2.gz GVSKTEGTCBPXEG-UHFFFAOYSA-N 0 0 312.682 3.651 10 0 DHAERN O=C1CS[C@H](c2cccc(F)c2)N1Cc1cccc(F)c1 ZINC000090558589 185303205 /nfs/dbraw/zinc/30/32/05/185303205.db2.gz CLZDWKJFDYOHGT-MRXNPFEDSA-N 0 0 305.349 3.739 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3ccc(F)c(Cl)c3)C2)no1 ZINC000092813879 185343461 /nfs/dbraw/zinc/34/34/61/185343461.db2.gz MQAKYHSSHSAAMP-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN C[C@H](NC(=O)NC[C@@H]1CCCOC1)c1ccc(C(C)(C)C)cc1 ZINC000056419961 334941585 /nfs/dbraw/zinc/94/15/85/334941585.db2.gz JWMBJJALTNIKJI-GJZGRUSLSA-N 0 0 318.461 3.771 10 0 DHAERN COc1ccc(Cl)cc1Nc1nc(Cl)nc(Cl)n1 ZINC000061518068 190694265 /nfs/dbraw/zinc/69/42/65/190694265.db2.gz GWDQHDWSXGNPEG-UHFFFAOYSA-N 0 0 305.552 3.584 10 0 DHAERN COc1ccc(Cl)cc1C(=O)Nc1ccc([C@@H](C)O)cc1 ZINC000226273233 201771064 /nfs/dbraw/zinc/77/10/64/201771064.db2.gz XBHUXWTXACLVLB-SNVBAGLBSA-N 0 0 305.761 3.654 10 0 DHAERN CCc1nnc2sc(-c3ccc4c5c(cccc53)CC4)nn12 ZINC000226298682 201773532 /nfs/dbraw/zinc/77/35/32/201773532.db2.gz GQEXEVLKMNKLAB-UHFFFAOYSA-N 0 0 306.394 3.667 10 0 DHAERN Nc1cccc(-c2ccc(C(=O)N3CCc4ccccc43)o2)c1 ZINC000226304352 201773936 /nfs/dbraw/zinc/77/39/36/201773936.db2.gz DTAUFGWRYYDVLI-UHFFFAOYSA-N 0 0 304.349 3.732 10 0 DHAERN Cc1cccc(OCC(=O)Nc2cc(Cl)c(C)cc2N)c1 ZINC000226358791 201777955 /nfs/dbraw/zinc/77/79/55/201777955.db2.gz KTXCPLKAWWECJO-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN CC(C)c1nnc(CN2CC[C@@H](C)Sc3ccccc32)n1C ZINC000109130359 185553278 /nfs/dbraw/zinc/55/32/78/185553278.db2.gz AGPGFAGQFZKEHI-CYBMUJFWSA-N 0 0 316.474 3.829 10 0 DHAERN O=CN(c1nc2ccccc2[nH]1)C1(c2ccccc2)CCCC1 ZINC000071622061 190994011 /nfs/dbraw/zinc/99/40/11/190994011.db2.gz IPSKREFXMHAFQK-UHFFFAOYSA-N 0 0 305.381 3.995 10 0 DHAERN CCc1nc(CCNC(=O)N[C@@H](C)c2ccccc2C)cs1 ZINC000072083214 191034653 /nfs/dbraw/zinc/03/46/53/191034653.db2.gz XHWQSIAFOLVOMO-ZDUSSCGKSA-N 0 0 317.458 3.617 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)O1 ZINC000146159459 186037612 /nfs/dbraw/zinc/03/76/12/186037612.db2.gz OEXPQEJQYUCEAH-CPCISQLKSA-N 0 0 307.699 3.865 10 0 DHAERN COc1ccc(C)c2sc(NC(=O)NC3CCCC3)nc21 ZINC000084708667 192459352 /nfs/dbraw/zinc/45/93/52/192459352.db2.gz VMKACTCQIHEMKP-UHFFFAOYSA-N 0 0 305.403 3.677 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(Cl)o2)C12CCCC2 ZINC000150807419 186067697 /nfs/dbraw/zinc/06/76/97/186067697.db2.gz GJEPRPYACLXAGG-QWHCGFSZSA-N 0 0 311.809 3.743 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)Nc3cccc(C)c3)c(=O)[nH]2)cc1 ZINC000072451028 191169982 /nfs/dbraw/zinc/16/99/82/191169982.db2.gz JYEBVEPINFHXIL-UHFFFAOYSA-N 0 0 318.376 3.911 10 0 DHAERN FC(F)(F)c1nc2nccc(-c3ccc4ccccc4c3)n2n1 ZINC000072439886 191167388 /nfs/dbraw/zinc/16/73/88/191167388.db2.gz LCWOOWQRGJHQKL-UHFFFAOYSA-N 0 0 314.270 3.963 10 0 DHAERN COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)CCC3 ZINC000072451758 191171964 /nfs/dbraw/zinc/17/19/64/191171964.db2.gz QTPJCXJYZUHAOL-UHFFFAOYSA-N 0 0 313.788 3.685 10 0 DHAERN Cc1nc(N2CCCC2)ncc1C(=O)Nc1ccc(C(C)C)cc1 ZINC000072465099 191174373 /nfs/dbraw/zinc/17/43/73/191174373.db2.gz OGZSOMUHJSBMQY-UHFFFAOYSA-N 0 0 324.428 3.761 10 0 DHAERN Clc1ccc(-c2ccn3c(nnc3-c3cccnc3)n2)cc1 ZINC000072467843 191174400 /nfs/dbraw/zinc/17/44/00/191174400.db2.gz QPQVAKHHVJIHSN-UHFFFAOYSA-N 0 0 307.744 3.507 10 0 DHAERN Cc1ccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)cc1 ZINC000072464994 191174433 /nfs/dbraw/zinc/17/44/33/191174433.db2.gz YYKBGMLEZYEMAJ-UHFFFAOYSA-N 0 0 324.428 3.582 10 0 DHAERN CC1CCN(C(=O)Cn2c3ccccc3nc2-c2ccco2)CC1 ZINC000000419860 180783385 /nfs/dbraw/zinc/78/33/85/180783385.db2.gz GQVSUEJIMILCRT-UHFFFAOYSA-N 0 0 323.396 3.555 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)C[C@@H](C)C(=O)c2cccc(F)c2)o1 ZINC000072909064 191250531 /nfs/dbraw/zinc/25/05/31/191250531.db2.gz OQEHIWFUEZVRHC-YPMHNXCESA-N 0 0 317.360 3.813 10 0 DHAERN Cc1ccc(NC(=S)NC(=O)CCc2ccccc2)cc1C ZINC000000503280 180809153 /nfs/dbraw/zinc/80/91/53/180809153.db2.gz NOKRNMHJMCUPNI-UHFFFAOYSA-N 0 0 312.438 3.749 10 0 DHAERN CC(=O)N[C@@H](C)Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000003656431 181044151 /nfs/dbraw/zinc/04/41/51/181044151.db2.gz QZJNFQSONSFTJX-HNNXBMFYSA-N 0 0 306.409 3.757 10 0 DHAERN C[C@]1(c2ccccc2)c2ccccc2N(CN2CCCCC2)C1=O ZINC000003604509 181039457 /nfs/dbraw/zinc/03/94/57/181039457.db2.gz SVIWCQZMJCTJMJ-NRFANRHFSA-N 0 0 320.436 3.783 10 0 DHAERN S=C1N=NC(c2ccc(Br)o2)N1c1ccccc1 ZINC000004201323 181084385 /nfs/dbraw/zinc/08/43/85/181084385.db2.gz SHMWMALNQXACKI-UHFFFAOYSA-N 0 0 322.187 3.579 10 0 DHAERN COc1ccc2[nH+]cc(C(=O)[O-])c(NCc3ccccc3)c2c1 ZINC000004226224 181086028 /nfs/dbraw/zinc/08/60/28/181086028.db2.gz NQCPHNYBYVYJBS-UHFFFAOYSA-N 0 0 308.337 3.554 10 0 DHAERN Cc1ccc(S(=O)(=O)Oc2cccc3c(O)cccc23)cc1 ZINC000004666668 181134256 /nfs/dbraw/zinc/13/42/56/181134256.db2.gz RZDHDCQAMLJYTK-UHFFFAOYSA-N 0 0 314.362 3.622 10 0 DHAERN COCc1cc(=S)[nH]c(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073695470 191342298 /nfs/dbraw/zinc/34/22/98/191342298.db2.gz CYUUMKIKMBTDTJ-UHFFFAOYSA-N 0 0 300.305 3.598 10 0 DHAERN COc1cccc(NC(=O)[C@@H](Cc2ccccc2)n2cccc2)c1 ZINC000005055260 181197761 /nfs/dbraw/zinc/19/77/61/181197761.db2.gz BWJMMFMFYFAARB-LJQANCHMSA-N 0 0 320.392 3.919 10 0 DHAERN O=[S@@](c1ccc2ccccc2c1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000005521533 181253110 /nfs/dbraw/zinc/25/31/10/181253110.db2.gz YNLYTHFYWIHLPS-XQBPLPMBSA-N 0 0 308.402 3.606 10 0 DHAERN O=C(c1ccccc1)N1CCc2ccccc2[C@H]1c1ccncc1 ZINC000005740994 181279549 /nfs/dbraw/zinc/27/95/49/181279549.db2.gz CFDVGISUQGZZQP-HXUWFJFHSA-N 0 0 314.388 3.870 10 0 DHAERN CC(C)c1cccc(OCC(=O)N2CCCc3c(N)cccc32)c1 ZINC000236865467 202042919 /nfs/dbraw/zinc/04/29/19/202042919.db2.gz UAAXOZJEYHXOTB-UHFFFAOYSA-N 0 0 324.424 3.750 10 0 DHAERN COc1ccc(OCc2nnc(-c3ccc(Cl)cc3)[nH]2)cc1 ZINC000005910952 181296082 /nfs/dbraw/zinc/29/60/82/181296082.db2.gz WWVMOUAUCOLZGS-UHFFFAOYSA-N 0 0 315.760 3.713 10 0 DHAERN O=C(/C=C\c1ccc(Cl)c(Cl)c1)NCc1ccncc1 ZINC000005932168 181297223 /nfs/dbraw/zinc/29/72/23/181297223.db2.gz WUMQAAGGMOOERD-RQOWECAXSA-N 0 0 307.180 3.718 10 0 DHAERN CCN(CC)C(=O)C1C[C@H]2CCC[C@@H](C1)C21SCCS1 ZINC000005979184 181303493 /nfs/dbraw/zinc/30/34/93/181303493.db2.gz PXLGFTQPRWMMPD-AGUYFDCRSA-N 0 0 313.532 3.857 10 0 DHAERN CC(C)(C)NC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1 ZINC000006692920 181371127 /nfs/dbraw/zinc/37/11/27/181371127.db2.gz VALDQHVWDWLWFP-INIZCTEOSA-N 0 0 315.392 3.540 10 0 DHAERN CC(C)CC(=O)N(Cc1nccn1Cc1ccccc1)C(C)C ZINC000006696803 181371406 /nfs/dbraw/zinc/37/14/06/181371406.db2.gz KXGRMJZQUWLQCN-UHFFFAOYSA-N 0 0 313.445 3.715 10 0 DHAERN CCn1c(C)nnc1CSCCCOc1ccc(C)c(C)c1 ZINC000091028297 192972350 /nfs/dbraw/zinc/97/23/50/192972350.db2.gz RLHLSBVRRKMRSM-UHFFFAOYSA-N 0 0 319.474 3.926 10 0 DHAERN CCc1nnc(CSCCc2c(F)cccc2Cl)n1C ZINC000091030517 192973196 /nfs/dbraw/zinc/97/31/96/192973196.db2.gz MUQMRAPIZQTOQW-UHFFFAOYSA-N 0 0 313.829 3.646 10 0 DHAERN CCc1c(C)c(C(=O)NC(C)C)n(Cc2cccc(F)c2)c1C ZINC000006801661 181390888 /nfs/dbraw/zinc/39/08/88/181390888.db2.gz JKVMXKLMVXPHND-UHFFFAOYSA-N 0 0 316.420 3.993 10 0 DHAERN Cc1nc(-n2cccc2)sc1C(=O)Nc1ccc(F)cc1F ZINC000006806367 181392183 /nfs/dbraw/zinc/39/21/83/181392183.db2.gz MQKIUJDDOQYJLB-UHFFFAOYSA-N 0 0 319.336 3.773 10 0 DHAERN CCn1c2ccccc2nc1[C@H](C)NCc1ncc(C)s1 ZINC000091348578 193045192 /nfs/dbraw/zinc/04/51/92/193045192.db2.gz NABTVKYMSFFQPY-LBPRGKRZSA-N 0 0 300.431 3.672 10 0 DHAERN O=C(NCc1ccccc1Br)OCc1ccccc1 ZINC000091368696 193047519 /nfs/dbraw/zinc/04/75/19/193047519.db2.gz MZJVUNATGWJVGB-UHFFFAOYSA-N 0 0 320.186 3.876 10 0 DHAERN COC[C@H](N[C@@H]1CCOc2ccccc21)c1ccc(F)c(F)c1 ZINC000091413255 193053355 /nfs/dbraw/zinc/05/33/55/193053355.db2.gz VDUAORPJMXKXDF-SJORKVTESA-N 0 0 319.351 3.766 10 0 DHAERN COC(=O)C1CCC(c2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000091583374 193075286 /nfs/dbraw/zinc/07/52/86/193075286.db2.gz OVTXPSQKTJVEOV-UHFFFAOYSA-N 0 0 318.348 3.631 10 0 DHAERN O=C(/C=C/c1cccc(Cl)c1)N[C@@H]1CCOc2ccccc21 ZINC000007215194 181446141 /nfs/dbraw/zinc/44/61/41/181446141.db2.gz BNERPESTCWQUGC-ROJDOSBLSA-N 0 0 313.784 3.993 10 0 DHAERN C[C@@H]1Sc2nnc(-c3ccccc3)n2N=C1c1ccc(F)cc1 ZINC000007572546 181475366 /nfs/dbraw/zinc/47/53/66/181475366.db2.gz BPNKHNCLKSNOCM-NSHDSACASA-N 0 0 324.384 3.831 10 0 DHAERN Cc1nn(-c2ccccc2)cc1CN1CCCC[C@H]1c1cn[nH]c1 ZINC000093437979 193251908 /nfs/dbraw/zinc/25/19/08/193251908.db2.gz QSMHGAIYGPBRLW-IBGZPJMESA-N 0 0 321.428 3.631 10 0 DHAERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000094203805 193348342 /nfs/dbraw/zinc/34/83/42/193348342.db2.gz DOOHIMPVDBRSAV-GHMZBOCLSA-N 0 0 303.299 3.985 10 0 DHAERN CC(=O)c1nc2cccnc2n1Cc1c(Cl)cccc1Cl ZINC000095082737 193418053 /nfs/dbraw/zinc/41/80/53/193418053.db2.gz XUSLOZLHKPLNSL-UHFFFAOYSA-N 0 0 320.179 3.989 10 0 DHAERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOCc1ccccn1 ZINC000095086398 193419669 /nfs/dbraw/zinc/41/96/69/193419669.db2.gz SZSUKGBDXIQAKD-MRXNPFEDSA-N 0 0 320.433 3.778 10 0 DHAERN Clc1nc(Cl)c(Br)cc1Br ZINC000095932112 193450327 /nfs/dbraw/zinc/45/03/27/193450327.db2.gz RCTRHPMUUQUWIK-UHFFFAOYSA-N 0 0 305.784 3.913 10 0 DHAERN O=C(Nc1onc2c1CCCC2)c1ccc(Br)cc1 ZINC000008976542 181594372 /nfs/dbraw/zinc/59/43/72/181594372.db2.gz NYZFZELIQWPNKC-UHFFFAOYSA-N 0 0 321.174 3.568 10 0 DHAERN CC[C@H](C)NC(=S)NC(=O)c1ccc(OCCC(C)C)cc1 ZINC000010120657 181657555 /nfs/dbraw/zinc/65/75/55/181657555.db2.gz UUQBCQUJELRJAO-ZDUSSCGKSA-N 0 0 322.474 3.514 10 0 DHAERN CCOc1ccccc1C(=O)Oc1ccc(C=O)cc1OCC ZINC000014778826 181970652 /nfs/dbraw/zinc/97/06/52/181970652.db2.gz FRJVWVRREQZDLB-UHFFFAOYSA-N 0 0 314.337 3.516 10 0 DHAERN CCCCC(=O)NC(=S)Nc1cccc(OCC(C)C)c1 ZINC000014774606 181970654 /nfs/dbraw/zinc/97/06/54/181970654.db2.gz CDPXNAQUKMAGDD-UHFFFAOYSA-N 0 0 308.447 3.725 10 0 DHAERN CCC[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@@H](C)CCC ZINC000015776934 182016185 /nfs/dbraw/zinc/01/61/85/182016185.db2.gz VOSACQGRIMFAAT-OKILXGFUSA-N 0 0 304.434 3.523 10 0 DHAERN CC[C@H](C(=O)Nc1cc(C)cc(C)c1)n1nnc2ccccc21 ZINC000016896291 182062287 /nfs/dbraw/zinc/06/22/87/182062287.db2.gz LCSYJDIBKJPRAZ-MRXNPFEDSA-N 0 0 308.385 3.638 10 0 DHAERN CCc1cc2c(ncnc2S[C@H](C)C(=O)NCC(C)C)s1 ZINC000016712711 182058605 /nfs/dbraw/zinc/05/86/05/182058605.db2.gz XWGJUEYECDHPGE-SNVBAGLBSA-N 0 0 323.487 3.507 10 0 DHAERN C[C@H]1CCCC[C@H]1OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019232577 182110241 /nfs/dbraw/zinc/11/02/41/182110241.db2.gz UCAHFSYDTVSSTR-XHDPSFHLSA-N 0 0 310.825 3.846 10 0 DHAERN CCOC(=O)c1c(N)scc1C12CC3CC(CC(C3)C1)C2 ZINC000019232667 182110487 /nfs/dbraw/zinc/11/04/87/182110487.db2.gz RQUSMLTYOUKYGP-UHFFFAOYSA-N 0 0 305.443 3.975 10 0 DHAERN CCOC(=O)c1ccc(Oc2ccccc2Br)nc1 ZINC000019430752 182123215 /nfs/dbraw/zinc/12/32/15/182123215.db2.gz SXRRFTIDRXMBSH-UHFFFAOYSA-N 0 0 322.158 3.813 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(Br)cc2F)c1N ZINC000019406031 182122031 /nfs/dbraw/zinc/12/20/31/182122031.db2.gz JQKMKGHEGAORTQ-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN O=C([O-])c1ccc2[nH+]c3c(c(Nc4ccccc4O)c2c1)CCC3 ZINC000019794271 182150078 /nfs/dbraw/zinc/15/00/78/182150078.db2.gz DXIDQLJIFZTJCA-UHFFFAOYSA-N 0 0 320.348 3.871 10 0 DHAERN NC(=S)c1ccc(Nc2ccccc2Br)cc1 ZINC000019866876 182158330 /nfs/dbraw/zinc/15/83/30/182158330.db2.gz WRTSJJPHEXONJC-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN Nc1ccc2c(c1)CCCN2Cc1ccccc1Br ZINC000019875223 182159214 /nfs/dbraw/zinc/15/92/14/182159214.db2.gz HRFVMEWMYSKSPU-UHFFFAOYSA-N 0 0 317.230 3.984 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1ccc(Br)s1 ZINC000019875009 182159271 /nfs/dbraw/zinc/15/92/71/182159271.db2.gz OGVYRJFIQWAZCT-UHFFFAOYSA-N 0 0 309.232 3.656 10 0 DHAERN COC(=O)c1sc2ncnc(Nc3cccc(F)c3)c2c1C ZINC000019956128 182170194 /nfs/dbraw/zinc/17/01/94/182170194.db2.gz YSCZZVWFUXQZOB-UHFFFAOYSA-N 0 0 317.345 3.669 10 0 DHAERN Nc1ccc2nc(NC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)sc2c1 ZINC000019978547 182173139 /nfs/dbraw/zinc/17/31/39/182173139.db2.gz BQWCOUNUEBSDIU-AXFHLTTASA-N 0 0 301.415 3.643 10 0 DHAERN CC(C)(C)SCC(=O)Nc1ccc(C(F)(F)F)cc1N ZINC000020011724 182177736 /nfs/dbraw/zinc/17/77/36/182177736.db2.gz JDUQAUKDPXTEGD-UHFFFAOYSA-N 0 0 306.353 3.758 10 0 DHAERN CN(C(=O)c1cc(F)ccc1Br)c1ccc(O)cc1 ZINC000020210681 182197709 /nfs/dbraw/zinc/19/77/09/182197709.db2.gz UKEJBVWKFKYODI-UHFFFAOYSA-N 0 0 324.149 3.570 10 0 DHAERN C[C@@H](Nc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000020299621 182203753 /nfs/dbraw/zinc/20/37/53/182203753.db2.gz WYFCUMPESYMTOV-SNVBAGLBSA-N 0 0 300.324 3.565 10 0 DHAERN Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1 ZINC000020335925 182209045 /nfs/dbraw/zinc/20/90/45/182209045.db2.gz KOINAPFXQPEOEP-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN Nc1cccc(-c2csc(NC(=O)c3cccc(F)c3)n2)c1 ZINC000020336192 182209217 /nfs/dbraw/zinc/20/92/17/182209217.db2.gz JYWGYKSMOUFAST-UHFFFAOYSA-N 0 0 313.357 3.784 10 0 DHAERN Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2N)c1 ZINC000020520924 182226606 /nfs/dbraw/zinc/22/66/06/182226606.db2.gz YSNTWUULWBIPQL-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN O=C(C[C@@H](c1cccc(F)c1)n1cccc1)NC1CCCC1 ZINC000020998049 182258077 /nfs/dbraw/zinc/25/80/77/182258077.db2.gz ZCNUIWXJXZUPLM-KRWDZBQOSA-N 0 0 300.377 3.666 10 0 DHAERN COc1c(Cl)cc(C(=O)Nc2cccc(O)c2)cc1Cl ZINC000021025140 182261529 /nfs/dbraw/zinc/26/15/29/182261529.db2.gz LKZOCXJSHOWXEN-UHFFFAOYSA-N 0 0 312.152 3.960 10 0 DHAERN CC[C@H](C)C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000021145306 182266932 /nfs/dbraw/zinc/26/69/32/182266932.db2.gz DWMOOODCNZETGK-NSHDSACASA-N 0 0 311.341 3.981 10 0 DHAERN Cc1csc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000021143290 182266946 /nfs/dbraw/zinc/26/69/46/182266946.db2.gz HEUQFVIAJMDIHH-UHFFFAOYSA-N 0 0 317.414 3.688 10 0 DHAERN COc1c(O)ccc2c1CC[C@H]1[C@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000022062288 182307097 /nfs/dbraw/zinc/30/70/97/182307097.db2.gz BCWZIZLVBYHFES-WBPPIEPESA-N 0 0 302.414 3.618 10 0 endogenous,in-man DHAERN Cc1cccc(N)c1C(=O)Nc1ccccc1Br ZINC000022165978 182311860 /nfs/dbraw/zinc/31/18/60/182311860.db2.gz PQUHXYYMTYJXJA-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN C[C@@H](NC(=O)c1ccccc1O)c1ccccc1Br ZINC000023526003 182363256 /nfs/dbraw/zinc/36/32/56/182363256.db2.gz LAKKXQZTWISIHY-SNVBAGLBSA-N 0 0 320.186 3.646 10 0 DHAERN O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1ccco1 ZINC000028229815 182514216 /nfs/dbraw/zinc/51/42/16/182514216.db2.gz CNAHQMUEGBYRJW-UHFFFAOYSA-N 0 0 319.723 3.569 10 0 DHAERN CCOC(=O)c1csc2c1CCCN2C(=O)OC(C)(C)C ZINC000098213241 193791879 /nfs/dbraw/zinc/79/18/79/193791879.db2.gz CHQHVHFSGJNNPB-UHFFFAOYSA-N 0 0 311.403 3.613 10 0 DHAERN CC[C@H](Cc1ccccc1)N(CC)C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000152377845 335034970 /nfs/dbraw/zinc/03/49/70/335034970.db2.gz RWIFVIOPRQTPDP-NXHRZFHOSA-N 0 0 318.461 3.607 10 0 DHAERN COc1ccc(-c2n[nH]c(C)c2NC(=O)c2ccccc2)cc1 ZINC000035936052 182790916 /nfs/dbraw/zinc/79/09/16/182790916.db2.gz NZDJDLKKTOAKRH-UHFFFAOYSA-N 0 0 307.353 3.646 10 0 DHAERN COc1ccc(OC)c(C(=O)c2cccc(Br)c2)c1 ZINC000037353759 182883159 /nfs/dbraw/zinc/88/31/59/182883159.db2.gz SGTYMVSZZBKTSQ-UHFFFAOYSA-N 0 0 321.170 3.697 10 0 DHAERN Cn1ccc(N[C@@H]2CCCOc3cc(Br)ccc32)n1 ZINC000037560810 182907798 /nfs/dbraw/zinc/90/77/98/182907798.db2.gz WKAMBVGHRIQAJP-GFCCVEGCSA-N 0 0 322.206 3.508 10 0 DHAERN CCOC(=O)[C@@](C)(Nc1ccc(Br)cc1)C1CC1 ZINC000037960530 182943203 /nfs/dbraw/zinc/94/32/03/182943203.db2.gz KVYOTSRPMZHRKF-AWEZNQCLSA-N 0 0 312.207 3.593 10 0 DHAERN CCC(C)(C)C1CCC(NCC(F)(F)F)(C(=O)OC)CC1 ZINC000037973438 182946096 /nfs/dbraw/zinc/94/60/96/182946096.db2.gz PJPHBMIKRACHFN-UHFFFAOYSA-N 0 0 309.372 3.677 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cnc(Cl)c(Cl)c1 ZINC000037975897 182948161 /nfs/dbraw/zinc/94/81/61/182948161.db2.gz KCLKLTTWEMRWOQ-LBPRGKRZSA-N 0 0 323.179 3.642 10 0 DHAERN Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2n[nH]cc2c1 ZINC000038781544 183009608 /nfs/dbraw/zinc/00/96/08/183009608.db2.gz GIWCBSLJBLIGKK-UHFFFAOYSA-N 0 0 309.344 3.570 10 0 DHAERN CCOC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250619 183049248 /nfs/dbraw/zinc/04/92/48/183049248.db2.gz YKQHXDJCVFQDEQ-UHFFFAOYSA-N 0 0 314.772 3.920 10 0 DHAERN CC(C)CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21 ZINC000040190232 183045030 /nfs/dbraw/zinc/04/50/30/183045030.db2.gz GWXRATQMEQLYCO-UHFFFAOYSA-N 0 0 301.434 3.745 10 0 DHAERN CC(C)(C)c1nc2ccccc2n1CC(=O)N1CCCCCC1 ZINC000040239312 183048698 /nfs/dbraw/zinc/04/86/98/183048698.db2.gz PLEYWIRHXNBZTE-UHFFFAOYSA-N 0 0 313.445 3.736 10 0 DHAERN CCN(CC)C(=O)Cn1c2ccccc2nc1-c1ccc(C)cc1 ZINC000040249358 183049190 /nfs/dbraw/zinc/04/91/90/183049190.db2.gz RCJMIZXWAOJVOE-UHFFFAOYSA-N 0 0 321.424 3.880 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1ccccc1OC ZINC000040295724 183053060 /nfs/dbraw/zinc/05/30/60/183053060.db2.gz KAHAZIAVCQBAIR-UHFFFAOYSA-N 0 0 323.396 3.636 10 0 DHAERN Cc1ccc(-c2nc3ccccc3n2CC(=O)NCC(C)C)cc1 ZINC000040307212 183053558 /nfs/dbraw/zinc/05/35/58/183053558.db2.gz GMTCHOFGEAOXMP-UHFFFAOYSA-N 0 0 321.424 3.784 10 0 DHAERN OCCCc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1 ZINC000040409643 183062962 /nfs/dbraw/zinc/06/29/62/183062962.db2.gz OLUGDRXCKQMWTN-UHFFFAOYSA-N 0 0 324.302 3.621 10 0 DHAERN CCN(c1ccccc1)c1ncnc(Nc2ccccc2)c1N ZINC000040679620 183115960 /nfs/dbraw/zinc/11/59/60/183115960.db2.gz CZTCSBXDHUEUIU-UHFFFAOYSA-N 0 0 305.385 3.960 10 0 DHAERN CCN(c1ccccc1)c1ncnc(OC2CCCCC2)c1N ZINC000040679830 183115963 /nfs/dbraw/zinc/11/59/63/183115963.db2.gz FLXJBRFWCUKTEC-UHFFFAOYSA-N 0 0 312.417 3.928 10 0 DHAERN Cc1cc(C)cc(Oc2ncnc(Nc3cccnc3)c2N)c1 ZINC000040681406 183117010 /nfs/dbraw/zinc/11/70/10/183117010.db2.gz VQVSGMHZJZDGQG-UHFFFAOYSA-N 0 0 307.357 3.607 10 0 DHAERN CC(C)(C)Nc1ncnc(Oc2cccc3cccnc32)c1N ZINC000040680500 183117185 /nfs/dbraw/zinc/11/71/85/183117185.db2.gz RPDYMTKPVGJBQE-UHFFFAOYSA-N 0 0 309.373 3.610 10 0 DHAERN COc1cccc(Nc2ncnc(Nc3ccccc3)c2N)c1 ZINC000040688040 183117920 /nfs/dbraw/zinc/11/79/20/183117920.db2.gz ZMXOKCQECAUZPM-UHFFFAOYSA-N 0 0 307.357 3.555 10 0 DHAERN CN(c1ccccc1)c1ncnc(N2CCc3ccccc32)c1N ZINC000040687336 183118162 /nfs/dbraw/zinc/11/81/62/183118162.db2.gz TZTXSMGDJGRMMF-UHFFFAOYSA-N 0 0 317.396 3.521 10 0 DHAERN Cc1ccc(Nc2ncnc(NCc3ccccc3)c2N)cc1 ZINC000040709294 183121349 /nfs/dbraw/zinc/12/13/49/183121349.db2.gz WHOCICAPQGWAOZ-UHFFFAOYSA-N 0 0 305.385 3.723 10 0 DHAERN CCCNc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040700861 183119773 /nfs/dbraw/zinc/11/97/73/183119773.db2.gz KFWKQGMGIFWPJS-UHFFFAOYSA-N 0 0 312.204 3.931 10 0 DHAERN Cc1ccc(C)c(Nc2ncnc(Nc3ccccn3)c2N)c1 ZINC000040704522 183119792 /nfs/dbraw/zinc/11/97/92/183119792.db2.gz YELBLHIKDOWJQV-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1cc(Oc2ncnc(NC(C)C)c2N)cc(C)c1Cl ZINC000040708294 183120641 /nfs/dbraw/zinc/12/06/41/183120641.db2.gz VYGCYTBTRPKTED-UHFFFAOYSA-N 0 0 306.797 3.942 10 0 DHAERN CC(=O)c1ccc(Nc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781044 183133185 /nfs/dbraw/zinc/13/31/85/183133185.db2.gz GRPODCOPJAERTI-UHFFFAOYSA-N 0 0 319.368 3.749 10 0 DHAERN COc1ccc(Oc2ncnc(Nc3ccccc3)c2N)cc1 ZINC000040781145 183133338 /nfs/dbraw/zinc/13/33/38/183133338.db2.gz DPEFOSLBZFENLA-UHFFFAOYSA-N 0 0 308.341 3.603 10 0 DHAERN Cc1ccc(CNc2ncnc(Nc3ccc(F)cc3)c2N)cc1 ZINC000040782457 183133837 /nfs/dbraw/zinc/13/38/37/183133837.db2.gz WZNAUDXWONXRIZ-UHFFFAOYSA-N 0 0 323.375 3.862 10 0 DHAERN Nc1c(NC2CCCCCC2)ncnc1-n1cnc2ccccc21 ZINC000040800991 183135391 /nfs/dbraw/zinc/13/53/91/183135391.db2.gz GFXHZLGHJGPEBC-UHFFFAOYSA-N 0 0 322.416 3.532 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)cc3C)c2N)nc1 ZINC000040755523 183129633 /nfs/dbraw/zinc/12/96/33/183129633.db2.gz QPOVZBCYXLLMIP-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1cccc(Nc2[nH]cnc(=NNc3ccccc3)c2N)c1C ZINC000040755024 183129810 /nfs/dbraw/zinc/12/98/10/183129810.db2.gz ANCOTBIIZCBVNN-UHFFFAOYSA-N 0 0 320.400 3.858 10 0 DHAERN COc1cc(/C=C/C(=O)NC(C)C)ccc1OCCC(C)C ZINC000040944064 183149921 /nfs/dbraw/zinc/14/99/21/183149921.db2.gz ZJHLCEFVTAHUKY-VQHVLOKHSA-N 0 0 305.418 3.658 10 0 DHAERN COc1ccc2oc(=O)c(C(=O)Oc3cc(C)cc(C)c3)cc2c1 ZINC000040949484 183150440 /nfs/dbraw/zinc/15/04/40/183150440.db2.gz RYFLHKPCJPDCIO-UHFFFAOYSA-N 0 0 324.332 3.638 10 0 DHAERN Brc1ccccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000042251465 183246552 /nfs/dbraw/zinc/24/65/52/183246552.db2.gz UKZXNGOJQJGLJB-LSDHHAIUSA-N 0 0 310.235 3.593 10 0 DHAERN Brc1ccc(CN2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000042251411 183246654 /nfs/dbraw/zinc/24/66/54/183246654.db2.gz PJDSSVRAEPYRGL-GJZGRUSLSA-N 0 0 310.235 3.593 10 0 DHAERN CCO[C@H]1CCCN(CC(=O)c2cc(Cl)sc2Cl)C1 ZINC000042423792 183268807 /nfs/dbraw/zinc/26/88/07/183268807.db2.gz ABWYZMFBXAUIDG-VIFPVBQESA-N 0 0 322.257 3.739 10 0 DHAERN CCCCN(c1ncc(Br)cc1N)[C@H](C)CC ZINC000042602527 183290605 /nfs/dbraw/zinc/29/06/05/183290605.db2.gz UUSIEYGKIRRBQO-SNVBAGLBSA-N 0 0 300.244 3.831 10 0 DHAERN CCN(CC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)COC ZINC000042774809 183308044 /nfs/dbraw/zinc/30/80/44/183308044.db2.gz BLJDQDACPUQYOP-JTQLQIEISA-N 0 0 304.217 3.533 10 0 DHAERN O=C1CCCCCCN1Cc1cc(Br)cs1 ZINC000043687373 183381001 /nfs/dbraw/zinc/38/10/01/183381001.db2.gz KAHKCDNVLVOLJC-UHFFFAOYSA-N 0 0 302.237 3.803 10 0 DHAERN CCOc1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)ccc1OC ZINC000043721747 183383543 /nfs/dbraw/zinc/38/35/43/183383543.db2.gz IVEYLTXVJIWFQE-LBPRGKRZSA-N 0 0 318.373 3.878 10 0 DHAERN CC(=O)c1csc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000106736163 194248042 /nfs/dbraw/zinc/24/80/42/194248042.db2.gz NMPSUSFAEVLPHL-MNOVXSKESA-N 0 0 319.348 3.802 10 0 DHAERN COc1ccc(Br)cc1N[C@H]1CCCCC[C@H]1O ZINC000049566537 183742833 /nfs/dbraw/zinc/74/28/33/183742833.db2.gz JDRFGKPRUIGJFN-WCQYABFASA-N 0 0 314.223 3.563 10 0 DHAERN CCCCOCCNc1cc(Br)ccc1OC ZINC000049566568 183742977 /nfs/dbraw/zinc/74/29/77/183742977.db2.gz VEDROXGBIJSELC-UHFFFAOYSA-N 0 0 302.212 3.686 10 0 DHAERN CCc1n[nH]c(=S)n1[C@@H](C)c1cccc(Br)c1 ZINC000049569211 183742983 /nfs/dbraw/zinc/74/29/83/183742983.db2.gz BMIPULHKIPTOTI-QMMMGPOBSA-N 0 0 312.236 3.875 10 0 DHAERN COc1ccc(Br)cc1CC(=O)c1ccsc1 ZINC000049598124 183746233 /nfs/dbraw/zinc/74/62/33/183746233.db2.gz RAIOIYAKRKRQMJ-UHFFFAOYSA-N 0 0 311.200 3.945 10 0 DHAERN Cc1nn(Cc2ccc(Cl)cc2N)c(C)c1Br ZINC000050588718 183789642 /nfs/dbraw/zinc/78/96/42/183789642.db2.gz OAZRKQMJOYUIDP-UHFFFAOYSA-N 0 0 314.614 3.546 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3cccc(F)c3C)n2)cc1 ZINC000057342154 184034151 /nfs/dbraw/zinc/03/41/51/184034151.db2.gz XPBOVJMUZCEMFA-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2ccc(F)cc2Cl)[nH]1 ZINC000057342178 184034181 /nfs/dbraw/zinc/03/41/81/184034181.db2.gz RWDDRIREHFGKDZ-UHFFFAOYSA-N 0 0 315.735 3.973 10 0 DHAERN CC1(C)C(=O)Nc2ccc([C@@H](O)c3ccccc3Cl)cc21 ZINC000058089554 184074117 /nfs/dbraw/zinc/07/41/17/184074117.db2.gz IGUOONWEVAOKPC-OAHLLOKOSA-N 0 0 301.773 3.651 10 0 DHAERN O=C(c1c[nH]c2ccc(Br)cc21)C1CCOCC1 ZINC000061671226 184181968 /nfs/dbraw/zinc/18/19/68/184181968.db2.gz WHDQRKZNEFLWAG-UHFFFAOYSA-N 0 0 308.175 3.540 10 0 DHAERN CCN(c1ccc(C(C)=O)cc1Br)[C@@H](C)COC ZINC000061694184 184183508 /nfs/dbraw/zinc/18/35/08/184183508.db2.gz JORBPTINSYSDPY-JTQLQIEISA-N 0 0 314.223 3.513 10 0 DHAERN Cc1ccc(Oc2ccc([C@H](C)O)cc2Br)cn1 ZINC000061697910 184183793 /nfs/dbraw/zinc/18/37/93/184183793.db2.gz PTDXBNZNCGWDOK-JTQLQIEISA-N 0 0 308.175 3.998 10 0 DHAERN Cc1ccc(N(C)Cc2cccc(Br)c2)cc1N ZINC000061701510 184183896 /nfs/dbraw/zinc/18/38/96/184183896.db2.gz AZJATEQRXKLZFN-UHFFFAOYSA-N 0 0 305.219 3.976 10 0 DHAERN COc1nc(Oc2ccc(Br)cc2C)ccc1N ZINC000063061530 184268753 /nfs/dbraw/zinc/26/87/53/184268753.db2.gz RFGSNJGIKSUYPZ-UHFFFAOYSA-N 0 0 309.163 3.536 10 0 DHAERN O=C(Nc1ccccc1C(F)(F)F)[C@H]1Cc2ccccc2N1 ZINC000064373506 184296251 /nfs/dbraw/zinc/29/62/51/184296251.db2.gz DJDNMLWQNKXVOO-CQSZACIVSA-N 0 0 306.287 3.681 10 0 DHAERN C[C@H](NC(=O)c1ccc(-c2cccnc2)nc1)c1ccc(F)cc1 ZINC000065177884 184313764 /nfs/dbraw/zinc/31/37/64/184313764.db2.gz VRBQDVYUWSBICN-ZDUSSCGKSA-N 0 0 321.355 3.774 10 0 DHAERN C[C@@H](NC(=O)c1ccc(-c2cccnc2)nc1)c1ccccc1 ZINC000065173715 184313831 /nfs/dbraw/zinc/31/38/31/184313831.db2.gz VAAWXZFUEALIJY-CQSZACIVSA-N 0 0 303.365 3.635 10 0 DHAERN COC(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343874 184325745 /nfs/dbraw/zinc/32/57/45/184325745.db2.gz HHQJXFNISASTQC-UHFFFAOYSA-N 0 0 307.143 3.608 10 0 DHAERN CCc1ccccc1[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000067173472 184452483 /nfs/dbraw/zinc/45/24/83/184452483.db2.gz JWFNSGPCAUTCPD-MOPGFXCFSA-N 0 0 309.409 3.549 10 0 DHAERN COc1cc(F)c(C(C)(C)C)cc1I ZINC000116383130 194742669 /nfs/dbraw/zinc/74/26/69/194742669.db2.gz DOJYXHVKTXPRSJ-UHFFFAOYSA-N 0 0 308.134 3.736 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@@H]2C[C@H]2C2CCCCC2)s1 ZINC000119646520 195009086 /nfs/dbraw/zinc/00/90/86/195009086.db2.gz HEZDZXBTCQKVSF-LSDHHAIUSA-N 0 0 306.475 3.635 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(OC(F)(F)C(F)(F)F)CC1 ZINC000091252501 257211366 /nfs/dbraw/zinc/21/13/66/257211366.db2.gz YGVPZGBEWMNZEP-UHFFFAOYSA-N 0 0 319.270 3.558 10 0 DHAERN CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccc2cc[nH]c2c1 ZINC000194239419 335064727 /nfs/dbraw/zinc/06/47/27/335064727.db2.gz CPXUNNAZEBVLKC-WMLDXEAASA-N 0 0 315.417 3.741 10 0 DHAERN Cc1ccc2onc(CNC(=O)N3CCCc4ccccc43)c2c1 ZINC000009117000 134491858 /nfs/dbraw/zinc/49/18/58/134491858.db2.gz BHYAOZMKVAHQTD-UHFFFAOYSA-N 0 0 321.380 3.799 10 0 DHAERN C[C@@H](c1ccncc1)N(C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000129204612 196028211 /nfs/dbraw/zinc/02/82/11/196028211.db2.gz IZGOXDBOYVYMIT-KBXCAEBGSA-N 0 0 309.413 3.862 10 0 DHAERN Cc1ccc(COc2ccc(/C=C\C(N)=O)cc2Cl)cc1 ZINC000409416177 262509781 /nfs/dbraw/zinc/50/97/81/262509781.db2.gz BQURMAVMJFUQAD-CLFYSBASSA-N 0 0 301.773 3.726 10 0 DHAERN COc1ccccc1NC(=O)c1c(F)cccc1Br ZINC000175214846 332881622 /nfs/dbraw/zinc/88/16/22/332881622.db2.gz OVUSXFKAEUTIDU-UHFFFAOYSA-N 0 0 324.149 3.849 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@H](C)C2)cc1OC ZINC000047034357 331494902 /nfs/dbraw/zinc/49/49/02/331494902.db2.gz UMSNLWHSUFBGES-YDHLFZDLSA-N 0 0 320.433 3.643 10 0 DHAERN COC(=O)C1CCC(C(=O)N2CCC[C@H]2C2CCCCC2)CC1 ZINC000179471385 331524623 /nfs/dbraw/zinc/52/46/23/331524623.db2.gz ALVJXBGAFYNHCK-JCYILVPMSA-N 0 0 321.461 3.537 10 0 DHAERN CCc1cnc(CCNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)s1 ZINC000180309210 331565894 /nfs/dbraw/zinc/56/58/94/331565894.db2.gz DEPIWQNPCHTUAB-STQMWFEESA-N 0 0 308.491 3.827 10 0 DHAERN CCc1cnc(CCNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180309241 331565907 /nfs/dbraw/zinc/56/59/07/331565907.db2.gz DEPIWQNPCHTUAB-OLZOCXBDSA-N 0 0 308.491 3.827 10 0 DHAERN C[C@H]1CCC[C@@H](OCc2nnc(-c3ccc4c(c3)OCO4)o2)C1 ZINC000521393860 331567565 /nfs/dbraw/zinc/56/75/65/331567565.db2.gz FWIKCVIYLBZOTR-WCQYABFASA-N 0 0 316.357 3.561 10 0 DHAERN COc1ccccc1-c1noc(CCOc2ccc(F)cc2)n1 ZINC000109455142 331575625 /nfs/dbraw/zinc/57/56/25/331575625.db2.gz CKNTUZRAZBAWQW-UHFFFAOYSA-N 0 0 314.316 3.506 10 0 DHAERN O=C(/C=C\Sc1ccccc1)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000255393978 331737906 /nfs/dbraw/zinc/73/79/06/331737906.db2.gz BUZZWOZMVXNKKX-HGPCXVNDSA-N 0 0 313.426 3.769 10 0 DHAERN O=C(C/C=C\c1cccc(F)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000255638050 331782174 /nfs/dbraw/zinc/78/21/74/331782174.db2.gz JBBSKOCBSBOAAD-AATOQMJSSA-N 0 0 313.376 3.706 10 0 DHAERN C[C@@H]1CC(C(=O)Nc2cc(C(C)(C)C)ccc2O)C[C@@H](C)O1 ZINC000093093591 331921853 /nfs/dbraw/zinc/92/18/53/331921853.db2.gz XZPAAUMLOFLJRF-VXGBXAGGSA-N 0 0 305.418 3.832 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC2(c3ccccc3F)CC2)o1 ZINC000077545822 331958982 /nfs/dbraw/zinc/95/89/82/331958982.db2.gz LCVQAABURQHWIX-LBPRGKRZSA-N 0 0 302.349 3.777 10 0 DHAERN CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000084768900 332005787 /nfs/dbraw/zinc/00/57/87/332005787.db2.gz FUWOBNQBYXYIEA-HOCLYGCPSA-N 0 0 323.864 3.576 10 0 DHAERN CCC[C@@](C)(CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000086340266 332020856 /nfs/dbraw/zinc/02/08/56/332020856.db2.gz JQRJEDMWMPUUTI-KUHUBIRLSA-N 0 0 314.429 3.751 10 0 DHAERN CCC[C@](C)(CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000086340268 332020941 /nfs/dbraw/zinc/02/09/41/332020941.db2.gz JQRJEDMWMPUUTI-AUUYWEPGSA-N 0 0 314.429 3.751 10 0 DHAERN C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]([NH3+])c1ccccc1 ZINC000130116425 332022803 /nfs/dbraw/zinc/02/28/03/332022803.db2.gz LHQIBGQLLCYWSJ-MEBBXXQBSA-N 0 0 306.768 3.754 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000176503630 332944512 /nfs/dbraw/zinc/94/45/12/332944512.db2.gz XSYQRCXAXLOHGT-DOTOQJQBSA-N 0 0 303.446 3.879 10 0 DHAERN COC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CCC1 ZINC000180869650 332142517 /nfs/dbraw/zinc/14/25/17/332142517.db2.gz JRAGMVPWJDSGAK-SJORKVTESA-N 0 0 301.430 3.599 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2ccn(CC(F)(F)F)n2)CC(C)(C)C1 ZINC000181146121 332186524 /nfs/dbraw/zinc/18/65/24/332186524.db2.gz WGNINAKQAJHXDC-MNOVXSKESA-N 0 0 317.355 3.846 10 0 DHAERN CCc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)cc(=O)[nH]1 ZINC000181162327 332186769 /nfs/dbraw/zinc/18/67/69/332186769.db2.gz AFSGCLKBEVRIFE-CYBMUJFWSA-N 0 0 320.392 3.582 10 0 DHAERN OC1(c2cc(Br)cc(Br)c2)CCCC1 ZINC000238654310 332454188 /nfs/dbraw/zinc/45/41/88/332454188.db2.gz FDRGQDHJRUDCAZ-UHFFFAOYSA-N 0 0 320.024 3.973 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCOc3ccncc32)cc1 ZINC000178385249 333009574 /nfs/dbraw/zinc/00/95/74/333009574.db2.gz ZXKTYNYFVOSAJX-IAGOWNOFSA-N 0 0 322.408 3.734 10 0 DHAERN C[C@H](NC(=O)NC[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000171759011 333054185 /nfs/dbraw/zinc/05/41/85/333054185.db2.gz SYUILPRACHUQMM-STQMWFEESA-N 0 0 316.426 3.675 10 0 DHAERN CSCC[C@H](NC(=O)[C@H](C)C(C)C)c1nc2ccccc2[nH]1 ZINC000171976597 333056710 /nfs/dbraw/zinc/05/67/10/333056710.db2.gz VZASBYPEFAXECW-DOMZBBRYSA-N 0 0 319.474 3.765 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000173653486 333076452 /nfs/dbraw/zinc/07/64/52/333076452.db2.gz GTOULFUHLMGMSX-UONOGXRCSA-N 0 0 310.463 3.650 10 0 DHAERN CCc1noc(CC)c1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000086966045 333113103 /nfs/dbraw/zinc/11/31/03/333113103.db2.gz DPASKFCZVFYUFV-QGZVFWFLSA-N 0 0 312.413 3.536 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2c[nH]nc2-c2ccccc2F)o1 ZINC000087104806 333140302 /nfs/dbraw/zinc/14/03/02/333140302.db2.gz MSLDMFLQVBBAHM-NSHDSACASA-N 0 0 313.332 3.608 10 0 DHAERN CCCC[C@@H](CC)CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182171592 333161609 /nfs/dbraw/zinc/16/16/09/333161609.db2.gz GXEKIBGMUNEMQT-ZBFHGGJFSA-N 0 0 306.454 3.863 10 0 DHAERN COCc1ccccc1C(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182219908 333205855 /nfs/dbraw/zinc/20/58/55/333205855.db2.gz PCCRIXBONWNVPW-KUHUBIRLSA-N 0 0 309.409 3.805 10 0 DHAERN CCOCCCNC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000020539366 333321425 /nfs/dbraw/zinc/32/14/25/333321425.db2.gz VFNCLOHGZRGSSX-CQSZACIVSA-N 0 0 300.402 3.627 10 0 DHAERN CC(C)C[C@@H](CO)N(C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000188367560 333364425 /nfs/dbraw/zinc/36/44/25/333364425.db2.gz RMXLSXIYWCNVKI-QWRGUYRKSA-N 0 0 318.870 3.511 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)c2cn3ccnc3s2)c2ccccc21 ZINC000188544080 333373145 /nfs/dbraw/zinc/37/31/45/333373145.db2.gz KVCREYRIRGDOPO-FZMZJTMJSA-N 0 0 311.410 3.764 10 0 DHAERN Cn1cc([C@@H]2CCCN2Cc2ccc(Br)cc2)cn1 ZINC000311808821 333389749 /nfs/dbraw/zinc/38/97/49/333389749.db2.gz LNVPZRSKADMIRK-HNNXBMFYSA-N 0 0 320.234 3.520 10 0 DHAERN C[C@@H](Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Cl)cc1 ZINC000021813609 333390648 /nfs/dbraw/zinc/39/06/48/333390648.db2.gz AUVFKXLOHPPREO-LLVKDONJSA-N 0 0 309.818 3.917 10 0 DHAERN CC1CC(C(=O)N2CCCc3cc(Br)ccc32)C1 ZINC000531478442 333414351 /nfs/dbraw/zinc/41/43/51/333414351.db2.gz PGZQQHWIMSYJTI-UHFFFAOYSA-N 0 0 308.219 3.774 10 0 DHAERN Cc1c(CNc2ccccc2NC(=O)OC(C)(C)C)cnn1C ZINC000227591550 333426153 /nfs/dbraw/zinc/42/61/53/333426153.db2.gz KKHQMQIQKHLTMD-UHFFFAOYSA-N 0 0 316.405 3.688 10 0 DHAERN C[C@H](NS(=O)(=O)CC1CCCCC1)c1ccc(F)c(F)c1 ZINC000101568918 334327730 /nfs/dbraw/zinc/32/77/30/334327730.db2.gz GCWGPQCWMFMXNN-NSHDSACASA-N 0 0 317.401 3.526 10 0 DHAERN CC(C)(C)[C@@H](O)CNC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000112386247 334577342 /nfs/dbraw/zinc/57/73/42/334577342.db2.gz HYMFRCVBFHZVKD-NSHDSACASA-N 0 0 305.205 3.522 10 0 DHAERN Clc1ccc2c(c1Cl)CC[C@@H]2N[C@@H]1CCCn2ncnc21 ZINC000164812729 334669023 /nfs/dbraw/zinc/66/90/23/334669023.db2.gz IVMBBAAWJACMGY-QWHCGFSZSA-N 0 0 323.227 3.697 10 0 DHAERN Cc1nccnc1[C@H](C)Nc1ccc(-n2ccnc2)c(Cl)c1 ZINC000188409516 334707771 /nfs/dbraw/zinc/70/77/71/334707771.db2.gz YIAJAZZYXNTYTD-LBPRGKRZSA-N 0 0 313.792 3.797 10 0 DHAERN CC[C@H](OC1CCCC1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000112859782 334728389 /nfs/dbraw/zinc/72/83/89/334728389.db2.gz YHXJBYKCMSUHPS-SCRDCRAPSA-N 0 0 321.383 3.962 10 0 DHAERN COc1ccc(C)cc1[C@@H](C)N[C@H](C)c1ccncc1OC ZINC000188779836 334872312 /nfs/dbraw/zinc/87/23/12/334872312.db2.gz LVZYYHKSDPNOTD-ZIAGYGMSSA-N 0 0 300.402 3.819 10 0 DHAERN CC[C@H](C)Oc1ccc(NC(=O)N2CCS[C@@H](C)C2)cc1 ZINC000171380065 334884167 /nfs/dbraw/zinc/88/41/67/334884167.db2.gz UPRXQCNRIBSHJS-STQMWFEESA-N 0 0 308.447 3.833 10 0 DHAERN Cc1cc(N2CC[C@@H](Oc3cccnc3)C2)c2cccc(F)c2n1 ZINC000130315653 334923041 /nfs/dbraw/zinc/92/30/41/334923041.db2.gz XCQFRGCFLVIEQI-OAHLLOKOSA-N 0 0 323.371 3.735 10 0 DHAERN CCCS(=O)(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000098037393 335905529 /nfs/dbraw/zinc/90/55/29/335905529.db2.gz HDNCQMBEYGNAHJ-ZETCQYMHSA-N 0 0 314.209 3.523 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)NC1CCSCC1 ZINC000179216131 335947005 /nfs/dbraw/zinc/94/70/05/335947005.db2.gz WLSFYWPDEJYOCD-INIZCTEOSA-N 0 0 318.486 3.895 10 0 DHAERN C[C@@H]1CN(C(=O)N[C@@H]2c3ccccc3CCC2(C)C)CCCO1 ZINC000179185851 335948687 /nfs/dbraw/zinc/94/86/87/335948687.db2.gz LBDQSVMFSIBYTL-RHSMWYFYSA-N 0 0 316.445 3.521 10 0 DHAERN CCCn1c(C)nnc1CN[C@@H](C)c1ccc(C(C)C)cc1 ZINC000179373458 335952625 /nfs/dbraw/zinc/95/26/25/335952625.db2.gz YKIKFXMDYFPVGF-AWEZNQCLSA-N 0 0 300.450 3.971 10 0 DHAERN C[C@@H]1C(=O)CC[C@@H](c2nc(COC3CCCC3)no2)C1(C)C ZINC000329370024 335968873 /nfs/dbraw/zinc/96/88/73/335968873.db2.gz AQFCNJBYUDIQQH-YPMHNXCESA-N 0 0 306.406 3.638 10 0 DHAERN Cc1cc2cc[nH]c2cc1NC(=O)N1CCC[C@H](n2cccn2)C1 ZINC000333185990 336199459 /nfs/dbraw/zinc/19/94/59/336199459.db2.gz NZOVEXYNBJZPCA-HNNXBMFYSA-N 0 0 323.400 3.542 10 0 DHAERN Cc1nc2c(nccc2C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)[nH]1 ZINC000333224597 336200079 /nfs/dbraw/zinc/20/00/79/336200079.db2.gz FMDPMIZUBGFQNS-BZNIZROVSA-N 0 0 320.396 3.635 10 0 DHAERN CC(C)[C@H]1N(C(=O)Nc2cccc3[nH]ccc32)C[C@@]12CCCO2 ZINC000333278584 336201087 /nfs/dbraw/zinc/20/10/87/336201087.db2.gz XKZBNOHGQUSTGC-AEFFLSMTSA-N 0 0 313.401 3.589 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000103380983 336241209 /nfs/dbraw/zinc/24/12/09/336241209.db2.gz FLOALNRNIGKMFR-CQSZACIVSA-N 0 0 314.385 3.712 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2cccc(OC)c2)cc1 ZINC000103383833 336241343 /nfs/dbraw/zinc/24/13/43/336241343.db2.gz HJVJDGHMRQYFEK-ZDUSSCGKSA-N 0 0 315.369 3.709 10 0 DHAERN COC[C@H](C)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 ZINC000103392885 336241488 /nfs/dbraw/zinc/24/14/88/336241488.db2.gz KWIIGINLOMUMFQ-ZDUSSCGKSA-N 0 0 317.816 3.906 10 0 DHAERN COC[C@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000103393853 336241509 /nfs/dbraw/zinc/24/15/09/336241509.db2.gz PROUWDQOBFCBRQ-LBPRGKRZSA-N 0 0 303.333 3.839 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000043067602 336244929 /nfs/dbraw/zinc/24/49/29/336244929.db2.gz SFYXIQSLMRZIQF-DOMZBBRYSA-N 0 0 302.422 3.604 10 0 DHAERN C[C@H]1C[C@H](C(=O)NCCc2nc3ccccc3[nH]2)CC(C)(C)C1 ZINC000182640282 336277569 /nfs/dbraw/zinc/27/75/69/336277569.db2.gz DQDIIFKHIWDGTQ-KBPBESRZSA-N 0 0 313.445 3.684 10 0 DHAERN Cc1noc(C)c1[C@@H](C)Nc1nn2cc(C(C)(C)C)nc2s1 ZINC000301307681 336300140 /nfs/dbraw/zinc/30/01/40/336300140.db2.gz ZUHJYFHEQOIGNY-MRVPVSSYSA-N 0 0 319.434 3.866 10 0 DHAERN CC(C)(C)[C@@H]1OCC[C@@H]1CNc1ccc(Br)cn1 ZINC000301359911 336302438 /nfs/dbraw/zinc/30/24/38/336302438.db2.gz LXATYWSTIHFSFE-ZWNOBZJWSA-N 0 0 313.239 3.707 10 0 DHAERN CCOc1ccc(CNc2ncccc2-c2nc(C)no2)cc1C ZINC000301402022 336304463 /nfs/dbraw/zinc/30/44/63/336304463.db2.gz QXHLBBIGLGYYTF-UHFFFAOYSA-N 0 0 324.384 3.759 10 0 DHAERN Clc1cccc(-c2noc(N3C[C@@H]4CC=CC[C@@H]4C3)n2)c1 ZINC000301403130 336304678 /nfs/dbraw/zinc/30/46/78/336304678.db2.gz DQAGUNPYQBWCGF-BETUJISGSA-N 0 0 301.777 3.792 10 0 DHAERN Nc1nc(Cl)cc(N[C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000301426712 336305985 /nfs/dbraw/zinc/30/59/85/336305985.db2.gz PEBRVFGYWZCRDT-VXGBXAGGSA-N 0 0 306.772 3.600 10 0 DHAERN Cc1ccc([C@H]2C[C@H](C)CCN2c2ccc3nccnc3n2)o1 ZINC000301443621 336307234 /nfs/dbraw/zinc/30/72/34/336307234.db2.gz NGPDYWUBDWNWRZ-IUODEOHRSA-N 0 0 308.385 3.904 10 0 DHAERN CCS[C@@H]1CC[C@@]1(O)CNc1cc2ccccc2c(Cl)n1 ZINC000301489575 336309991 /nfs/dbraw/zinc/30/99/91/336309991.db2.gz LIPGTUUFYBPDJO-CZUORRHYSA-N 0 0 322.861 3.947 10 0 DHAERN C[C@]1(CNc2ccc(-c3ccc(F)cc3)nn2)CCCC[C@H]1O ZINC000301502979 336310847 /nfs/dbraw/zinc/31/08/47/336310847.db2.gz YEFNHAZCUCJFHJ-SJLPKXTDSA-N 0 0 315.392 3.636 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@@H]3c3ccccc3)c2)n1 ZINC000301504529 336311146 /nfs/dbraw/zinc/31/11/46/336311146.db2.gz GJZJVHAYCYQMDM-MRXNPFEDSA-N 0 0 306.369 3.782 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2ccnc3ccsc32)C1 ZINC000301579857 336316277 /nfs/dbraw/zinc/31/62/77/336316277.db2.gz UKSBTZDKMHJFJG-HTGLOVNISA-N 0 0 308.472 3.788 10 0 DHAERN Cn1c(CNc2nc(C3CC3)ns2)cc(Cl)c1Cl ZINC000301635860 336319807 /nfs/dbraw/zinc/31/98/07/336319807.db2.gz KVWGTYAAPKUVRT-UHFFFAOYSA-N 0 0 303.218 3.673 10 0 DHAERN O[C@@H](CN(c1ncc(Cl)cc1F)C1CC1)c1ccc(F)cc1 ZINC000301667123 336322059 /nfs/dbraw/zinc/32/20/59/336322059.db2.gz MPOATTJXRCFNCL-HNNXBMFYSA-N 0 0 324.758 3.716 10 0 DHAERN CC[C@H](CNc1cc(C)nc2ncnn21)c1ccc(Cl)cc1 ZINC000301673100 336322596 /nfs/dbraw/zinc/32/25/96/336322596.db2.gz ATVCROIWXLLNAD-GFCCVEGCSA-N 0 0 315.808 3.692 10 0 DHAERN C[C@@](CO)(Nc1nc(-c2ccccc2)nc2ccccc21)C1CC1 ZINC000301678760 336322955 /nfs/dbraw/zinc/32/29/55/336322955.db2.gz RVNWREPPSHVHOM-FQEVSTJZSA-N 0 0 319.408 3.870 10 0 DHAERN COCc1cc(Oc2cccc(F)c2F)nc(C(C)(C)C)n1 ZINC000301777584 336329207 /nfs/dbraw/zinc/32/92/07/336329207.db2.gz HGIPWURASYMUJX-UHFFFAOYSA-N 0 0 308.328 3.991 10 0 DHAERN CSc1nc2ncnc(N3CCC[C@H]4CCCC[C@@H]43)c2s1 ZINC000301925914 336338368 /nfs/dbraw/zinc/33/83/68/336338368.db2.gz JDVISBGDNNTORA-MNOVXSKESA-N 0 0 320.487 3.967 10 0 DHAERN CSc1nc2ncnc(N3CCC[C@H]4CCCC[C@H]43)c2s1 ZINC000301925912 336338426 /nfs/dbraw/zinc/33/84/26/336338426.db2.gz JDVISBGDNNTORA-GHMZBOCLSA-N 0 0 320.487 3.967 10 0 DHAERN O=S(=O)(c1ccc(Oc2c(F)cccc2F)cc1)C(F)F ZINC000301938152 336338987 /nfs/dbraw/zinc/33/89/87/336338987.db2.gz WXGLYTIJWWEPJR-UHFFFAOYSA-N 0 0 320.263 3.753 10 0 DHAERN Cc1nc(N2CCCC2)ccc1Nc1ccc(C(F)(F)F)nn1 ZINC000301947630 336339448 /nfs/dbraw/zinc/33/94/48/336339448.db2.gz HPBMRVPCZCSQKF-UHFFFAOYSA-N 0 0 323.322 3.543 10 0 DHAERN COc1ccc(C2(CNc3ccc(C(F)(F)F)nn3)CC2)cc1 ZINC000301949983 336339481 /nfs/dbraw/zinc/33/94/81/336339481.db2.gz INSLNESRWCMMHJ-UHFFFAOYSA-N 0 0 323.318 3.648 10 0 DHAERN CCc1ccc(CN(Cc2cccnc2)c2cc(C)ncn2)cc1 ZINC000302008920 336342843 /nfs/dbraw/zinc/34/28/43/336342843.db2.gz BPPRCQDIRZHJJU-UHFFFAOYSA-N 0 0 318.424 3.949 10 0 DHAERN c1ccc([C@@H]2OCC[C@@H]2Nc2nnc(-c3ccccn3)s2)cc1 ZINC000302040121 336344801 /nfs/dbraw/zinc/34/48/01/336344801.db2.gz RBJYWTWZJQZWJB-ZFWWWQNUSA-N 0 0 324.409 3.542 10 0 DHAERN C[C@H](Nc1nc2ccccc2c(-c2ccccc2)n1)c1nc[nH]n1 ZINC000302051804 336345652 /nfs/dbraw/zinc/34/56/52/336345652.db2.gz PAPYSFIUCNWOAC-LBPRGKRZSA-N 0 0 316.368 3.588 10 0 DHAERN CCc1cc(N2CCO[C@H](c3ccc(C)cc3C)C2)nc(C)n1 ZINC000302095327 336348240 /nfs/dbraw/zinc/34/82/40/336348240.db2.gz NUCUGMOZXHMYSZ-SFHVURJKSA-N 0 0 311.429 3.542 10 0 DHAERN Cc1ccc(CN(C)c2nnc(-c3ccccn3)s2)c(C)c1 ZINC000302178358 336352636 /nfs/dbraw/zinc/35/26/36/336352636.db2.gz YAUCFWKMAPJMIS-UHFFFAOYSA-N 0 0 310.426 3.853 10 0 DHAERN C[C@H](Nc1nccn2c1nnc2C1CC1)c1cc2ccccc2o1 ZINC000302202203 336353705 /nfs/dbraw/zinc/35/37/05/336353705.db2.gz IDHFIVCNRHPXRI-NSHDSACASA-N 0 0 319.368 3.921 10 0 DHAERN CC(C)Oc1cncc(N[C@@H](C)c2ccc(-n3cccn3)cc2)n1 ZINC000302260257 336356397 /nfs/dbraw/zinc/35/63/97/336356397.db2.gz CGRCIVPOEBYFHN-AWEZNQCLSA-N 0 0 323.400 3.623 10 0 DHAERN Fc1cc(F)c2nccc(NC[C@H]3CSCCS3)c2c1 ZINC000302392509 336358104 /nfs/dbraw/zinc/35/81/04/336358104.db2.gz DOVGHCSKOGEXNT-JTQLQIEISA-N 0 0 312.410 3.774 10 0 DHAERN CCOC(=O)[C@@H]1CC[C@@H](Nc2ccnc3c(F)cc(F)cc23)C1 ZINC000302526421 336360812 /nfs/dbraw/zinc/36/08/12/336360812.db2.gz OUNBESRKSZEBQQ-ZYHUDNBSSA-N 0 0 320.339 3.657 10 0 DHAERN Cc1ccc(Br)cc1CNc1cc(C)c(C)nn1 ZINC000302529360 336360931 /nfs/dbraw/zinc/36/09/31/336360931.db2.gz DYTBMMNAUHGAHJ-UHFFFAOYSA-N 0 0 306.207 3.776 10 0 DHAERN OCCN(Cc1cccc(Cl)c1)c1nc2cc(F)ccc2o1 ZINC000302700246 336365619 /nfs/dbraw/zinc/36/56/19/336365619.db2.gz FLYSUZZWDKKCDG-UHFFFAOYSA-N 0 0 320.751 3.619 10 0 DHAERN C[C@@H]1CC(=O)Oc2cc(Oc3ncnc4c(F)cccc34)ccc21 ZINC000302803686 336369978 /nfs/dbraw/zinc/36/99/78/336369978.db2.gz DRDHTFWAOYNNHM-SNVBAGLBSA-N 0 0 324.311 3.974 10 0 DHAERN Cc1ccc(Oc2ncnc3c2cnn3C(C)(C)C)cc1F ZINC000302868935 336372572 /nfs/dbraw/zinc/37/25/72/336372572.db2.gz XDNRBLFCAJLYRP-UHFFFAOYSA-N 0 0 300.337 3.821 10 0 DHAERN CCCCC[C@H](C)NC(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000114582130 336607261 /nfs/dbraw/zinc/60/72/61/336607261.db2.gz LTGGCBMHDBUMRG-XJKSGUPXSA-N 0 0 320.481 3.852 10 0 DHAERN C[C@@H](NC(=O)c1ccoc1Br)c1cccs1 ZINC000193303275 336693913 /nfs/dbraw/zinc/69/39/13/336693913.db2.gz GMZLZZGRPJDQJK-SSDOTTSWSA-N 0 0 300.177 3.595 10 0 DHAERN CC1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CC1 ZINC000121136384 336931896 /nfs/dbraw/zinc/93/18/96/336931896.db2.gz YMCMHHBLTAJULJ-HNNXBMFYSA-N 0 0 302.418 3.730 10 0 DHAERN CCC[C@]1(COC)CCCN1C(=O)N[C@@H](C)c1cccs1 ZINC000193452566 336933688 /nfs/dbraw/zinc/93/36/88/336933688.db2.gz PHBBCWKVZWNVQY-XJKSGUPXSA-N 0 0 310.463 3.800 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccc(Cl)c(Cl)c1 ZINC000123425767 337048061 /nfs/dbraw/zinc/04/80/61/337048061.db2.gz YJJNLFNGTJQEKD-ZDMBXUJBSA-N 0 0 302.201 3.738 10 0 DHAERN C[C@H](NC(=O)N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000026243121 337050404 /nfs/dbraw/zinc/05/04/04/337050404.db2.gz SQMORHGUVPWTMG-AAEUAGOBSA-N 0 0 302.399 3.632 10 0 DHAERN C[C@@H](NC(=O)N[C@H]1CCOc2ccccc21)c1cccs1 ZINC000026243115 337050408 /nfs/dbraw/zinc/05/04/08/337050408.db2.gz SQMORHGUVPWTMG-YPMHNXCESA-N 0 0 302.399 3.632 10 0 DHAERN Cc1nn(C)c(Cl)c1CN1CCCC[C@@H]1c1nccs1 ZINC000170748647 337083090 /nfs/dbraw/zinc/08/30/90/337083090.db2.gz LNKVVSHHXWFXIA-GFCCVEGCSA-N 0 0 310.854 3.566 10 0 DHAERN CCC(CC)CNC(=O)N[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000170926083 337085419 /nfs/dbraw/zinc/08/54/19/337085419.db2.gz FBGPYKSBCZRCBG-LBPRGKRZSA-N 0 0 308.422 3.500 10 0 DHAERN O=C(Nc1cccc(C(F)F)c1)N[C@@H]1COc2ccccc21 ZINC000171394458 337086560 /nfs/dbraw/zinc/08/65/60/337086560.db2.gz DWKAGZHVPQTXES-CYBMUJFWSA-N 0 0 304.296 3.879 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000171506984 337087639 /nfs/dbraw/zinc/08/76/39/337087639.db2.gz GWLLXTBPLKSDAW-HNNXBMFYSA-N 0 0 318.808 3.751 10 0 DHAERN CCOc1cc(C(=O)N[C@H]2CCOc3ccccc32)ccc1C ZINC000172001273 337090798 /nfs/dbraw/zinc/09/07/98/337090798.db2.gz RPKMRSFWMIREPK-INIZCTEOSA-N 0 0 311.381 3.647 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)Cc2nccn2C(C)C)C12CCCC2 ZINC000172670629 337129430 /nfs/dbraw/zinc/12/94/30/337129430.db2.gz MIWZSWDNRIUAMU-JKSUJKDBSA-N 0 0 305.466 3.634 10 0 DHAERN CCc1ccccc1CNC(=O)N[C@H]1CCOc2ccccc21 ZINC000172695064 337129709 /nfs/dbraw/zinc/12/97/09/337129709.db2.gz UPQXRLYDLVTJHP-KRWDZBQOSA-N 0 0 310.397 3.572 10 0 DHAERN C[C@H](COCc1ccccc1)Nc1nc2ccccc2cc1CO ZINC000172780679 337130897 /nfs/dbraw/zinc/13/08/97/337130897.db2.gz JKRDGIPUOXTDRX-OAHLLOKOSA-N 0 0 322.408 3.744 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)CSc1ccccc1 ZINC000172951944 337132558 /nfs/dbraw/zinc/13/25/58/337132558.db2.gz RRAFMCHCTBXCKL-OAHLLOKOSA-N 0 0 315.438 3.500 10 0 DHAERN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c(C)n1 ZINC000173380638 337134998 /nfs/dbraw/zinc/13/49/98/337134998.db2.gz XXWYDMFHGYQULF-CQSZACIVSA-N 0 0 301.415 3.522 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 ZINC000173411032 337135054 /nfs/dbraw/zinc/13/50/54/337135054.db2.gz OVLZAFKUPGYXOE-LLVKDONJSA-N 0 0 322.380 3.750 10 0 DHAERN CSc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)o1 ZINC000173422624 337135249 /nfs/dbraw/zinc/13/52/49/337135249.db2.gz CJCNADXSIANUEY-LLVKDONJSA-N 0 0 322.455 3.786 10 0 DHAERN COc1ccsc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000173426567 337135261 /nfs/dbraw/zinc/13/52/61/337135261.db2.gz MRJYKLOFXWHZOE-LLVKDONJSA-N 0 0 322.455 3.541 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CCC2CCCC2)no1 ZINC000173462192 337135457 /nfs/dbraw/zinc/13/54/57/337135457.db2.gz CAQGXYPSEPYVFU-AWEZNQCLSA-N 0 0 305.422 3.827 10 0 DHAERN CC(C)=CCOc1cccc(C(=O)N2CCS[C@@H](C)C2)c1 ZINC000173533026 337136222 /nfs/dbraw/zinc/13/62/22/337136222.db2.gz XFDWQHIEJMCOAQ-AWEZNQCLSA-N 0 0 305.443 3.609 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000173573390 337136499 /nfs/dbraw/zinc/13/64/99/337136499.db2.gz TTXDGNUEWUMMPH-DLBZAZTESA-N 0 0 305.466 3.962 10 0 DHAERN C[C@@H](N[C@H](C)c1ccccc1Cl)c1nnc2n1CCCC2 ZINC000173631280 337136949 /nfs/dbraw/zinc/13/69/49/337136949.db2.gz HZDRTVXUTPSWKW-VXGBXAGGSA-N 0 0 304.825 3.680 10 0 DHAERN C[C@@H](N[C@@H](C)c1cccc(Cl)c1)c1nnc2n1CCCC2 ZINC000173628091 337136993 /nfs/dbraw/zinc/13/69/93/337136993.db2.gz SDBKHLZZWQBQTC-NWDGAFQWSA-N 0 0 304.825 3.680 10 0 DHAERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1 ZINC000173625820 337137045 /nfs/dbraw/zinc/13/70/45/337137045.db2.gz LZCIIZDDQTXSBB-IUODEOHRSA-N 0 0 302.397 3.555 10 0 DHAERN CCCn1nccc1NC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000173648174 337137129 /nfs/dbraw/zinc/13/71/29/337137129.db2.gz JVFQMPXRAGHUAR-AWEZNQCLSA-N 0 0 316.405 3.954 10 0 DHAERN C[C@@H](NC(=O)c1ccc(Cl)o1)c1cccc(-n2ccnc2)c1 ZINC000173912157 337137513 /nfs/dbraw/zinc/13/75/13/337137513.db2.gz PAXXPLQWSBEDBH-LLVKDONJSA-N 0 0 315.760 3.610 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)s1 ZINC000173932866 337137592 /nfs/dbraw/zinc/13/75/92/337137592.db2.gz RMMDPXLFXKVGLX-CYBMUJFWSA-N 0 0 311.410 3.733 10 0 DHAERN C[C@@H](NC(=O)CC1=CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000173921015 337137611 /nfs/dbraw/zinc/13/76/11/337137611.db2.gz BOIQNRAYASRHAC-OAHLLOKOSA-N 0 0 309.413 3.940 10 0 DHAERN Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cc1F ZINC000173928218 337137641 /nfs/dbraw/zinc/13/76/41/337137641.db2.gz IYLVASRFJJAAFE-AWEZNQCLSA-N 0 0 323.371 3.811 10 0 DHAERN C[C@H](Nc1cc(N2CCC[C@@H](C)C2)ncn1)c1cccc(O)c1 ZINC000174721368 337143340 /nfs/dbraw/zinc/14/33/40/337143340.db2.gz JXNVKNYSUYEEKP-KGLIPLIRSA-N 0 0 312.417 3.592 10 0 DHAERN C[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1 ZINC000174872630 337145049 /nfs/dbraw/zinc/14/50/49/337145049.db2.gz VLYXOIOJQICSGK-LULLPPNCSA-N 0 0 315.457 3.927 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000175389540 337145657 /nfs/dbraw/zinc/14/56/57/337145657.db2.gz ZENABSOYGHVDGU-OAHLLOKOSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC[C@@H](C)C(C)C)C2)n1 ZINC000175208067 337146172 /nfs/dbraw/zinc/14/61/72/337146172.db2.gz VMYUBIDUNRYDQN-OCCSQVGLSA-N 0 0 309.479 3.633 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)CCCC(C)C ZINC000175510629 337147808 /nfs/dbraw/zinc/14/78/08/337147808.db2.gz OXKQJKWEKRDSTN-WBVHZDCISA-N 0 0 320.481 3.580 10 0 DHAERN CCn1c(C)nnc1CN1CCCSc2ccc(Cl)cc21 ZINC000175962389 337149914 /nfs/dbraw/zinc/14/99/14/337149914.db2.gz DEURNEHAJJBNDX-UHFFFAOYSA-N 0 0 322.865 3.762 10 0 DHAERN Cc1ccc2nc(C3CC3)cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000176388345 337151086 /nfs/dbraw/zinc/15/10/86/337151086.db2.gz FXKAMBUQHIRAKY-ZIAGYGMSSA-N 0 0 324.424 3.670 10 0 DHAERN c1nc2n(n1)CCC[C@@H]2N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000176683954 337152645 /nfs/dbraw/zinc/15/26/45/337152645.db2.gz KUBXCNBNMLVLIZ-OALUTQOASA-N 0 0 318.424 3.687 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3oc(C)cc3C)C2)n1 ZINC000176945771 337153900 /nfs/dbraw/zinc/15/39/00/337153900.db2.gz NTOIVOVEDYYKTE-CYBMUJFWSA-N 0 0 304.415 3.681 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000177187010 337154594 /nfs/dbraw/zinc/15/45/94/337154594.db2.gz JPROALUHXMXRIC-NVXWUHKLSA-N 0 0 305.466 3.789 10 0 DHAERN C[C@H](NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21)c1cccs1 ZINC000179077558 337166970 /nfs/dbraw/zinc/16/69/70/337166970.db2.gz AHIFYGUCRQKADK-OBJOEFQTSA-N 0 0 316.426 3.673 10 0 DHAERN Cc1cnc([C@@H](C)NCc2ccc(F)cc2Br)o1 ZINC000220917507 337167174 /nfs/dbraw/zinc/16/71/74/337167174.db2.gz HPYNEEHSZAZVNV-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN CCCC(CCC)C(=O)N1CCC[C@@H](n2ccnc2CC)C1 ZINC000178815494 337167277 /nfs/dbraw/zinc/16/72/77/337167277.db2.gz FTPHEJPBPCNRES-MRXNPFEDSA-N 0 0 305.466 3.825 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CCCC(C)(C)C3)C2)c1 ZINC000178886433 337167307 /nfs/dbraw/zinc/16/73/07/337167307.db2.gz VZENPVZYVIJLIF-CVEARBPZSA-N 0 0 303.450 3.571 10 0 DHAERN CC(C)Cn1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cn1 ZINC000180766641 337177766 /nfs/dbraw/zinc/17/77/66/337177766.db2.gz HJSIOCPDMPGUOE-LLVKDONJSA-N 0 0 323.799 3.823 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3[C@H](C)COC[C@H]3C)s2)o1 ZINC000181062555 337179639 /nfs/dbraw/zinc/17/96/39/337179639.db2.gz MTSGSAZKUDXVNU-GHMZBOCLSA-N 0 0 305.399 3.566 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000181202939 337180279 /nfs/dbraw/zinc/18/02/79/337180279.db2.gz HMUNBYUBTFITQW-SJORKVTESA-N 0 0 305.466 3.789 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ncc(C(C)C)s3)CCO2)n1 ZINC000183034160 337190994 /nfs/dbraw/zinc/19/09/94/337190994.db2.gz VPNJNLDSFQBZML-LBPRGKRZSA-N 0 0 323.487 3.605 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(Cc2ncc(C(C)C)s2)C1 ZINC000183060808 337191228 /nfs/dbraw/zinc/19/12/28/337191228.db2.gz LCTIOYWTOYLELO-CQSZACIVSA-N 0 0 318.490 3.863 10 0 DHAERN C[C@@H](N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1nccn1C ZINC000183343112 337191479 /nfs/dbraw/zinc/19/14/79/337191479.db2.gz VKGHCQMCUREBSA-GDBMZVCRSA-N 0 0 311.429 3.907 10 0 DHAERN Cc1cc(C)cc([C@H]2CCN(Cc3nnc(C(C)C)n3C)C2)c1 ZINC000183476609 337191817 /nfs/dbraw/zinc/19/18/17/337191817.db2.gz HLCMGIKFCKNFRZ-INIZCTEOSA-N 0 0 312.461 3.545 10 0 DHAERN COc1ccc(CN(C)C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)cc1O ZINC000184194006 337196856 /nfs/dbraw/zinc/19/68/56/337196856.db2.gz IPZHJJSLOWWMGA-HIFRSBDPSA-N 0 0 319.445 3.822 10 0 DHAERN C/C(=C\C(C)(C)C)C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000185392774 337204545 /nfs/dbraw/zinc/20/45/45/337204545.db2.gz GIVPUPCQAQYCHI-AYJWMTRPSA-N 0 0 303.450 3.693 10 0 DHAERN Cc1cnc([C@H](C)NCc2ccc(C)c(Br)c2)o1 ZINC000227556413 337249473 /nfs/dbraw/zinc/24/94/73/337249473.db2.gz VFUSVTYTJHICEK-NSHDSACASA-N 0 0 309.207 3.905 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H]1CCCc2c(C)ccc(C)c21 ZINC000186191882 337254357 /nfs/dbraw/zinc/25/43/57/337254357.db2.gz JTJNOUOUPAZMPT-IAGOWNOFSA-N 0 0 324.472 3.959 10 0 DHAERN CC(C)c1nc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cs1 ZINC000186364440 337256769 /nfs/dbraw/zinc/25/67/69/337256769.db2.gz UYLWEGHTQRINHD-NWDGAFQWSA-N 0 0 319.478 3.606 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCOc3c(F)cccc32)o1 ZINC000187827497 337268331 /nfs/dbraw/zinc/26/83/31/337268331.db2.gz AKSIKRYKDHZGBI-FZMZJTMJSA-N 0 0 318.348 3.611 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000187868065 337268473 /nfs/dbraw/zinc/26/84/73/337268473.db2.gz LEYUVBZYWGSLMB-UGSOOPFHSA-N 0 0 301.430 3.740 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000187867985 337268536 /nfs/dbraw/zinc/26/85/36/337268536.db2.gz LEYUVBZYWGSLMB-FZKQIMNGSA-N 0 0 301.430 3.740 10 0 DHAERN CC(C)c1nc(CN2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000188144630 337271094 /nfs/dbraw/zinc/27/10/94/337271094.db2.gz VXSSFOPPBNPWMP-ZFWWWQNUSA-N 0 0 322.499 3.536 10 0 DHAERN CSC1(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CC1 ZINC000188274863 337272652 /nfs/dbraw/zinc/27/26/52/337272652.db2.gz FBAIXNHUHSPDMA-CQSZACIVSA-N 0 0 317.454 3.835 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000190423730 337287636 /nfs/dbraw/zinc/28/76/36/337287636.db2.gz ZCUSWNOBNXFFDZ-PSASIEDQSA-N 0 0 305.271 3.598 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000190557977 337288858 /nfs/dbraw/zinc/28/88/58/337288858.db2.gz TZWQNZNAPIEQHF-ZYHUDNBSSA-N 0 0 316.228 3.767 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000191698596 337300606 /nfs/dbraw/zinc/30/06/06/337300606.db2.gz ZWYCECUUGIBQMA-NWDGAFQWSA-N 0 0 307.356 3.619 10 0 DHAERN Cc1noc2ncnc(N[C@@H]3CC(C)(C)Oc4ccccc43)c12 ZINC000192490683 337305516 /nfs/dbraw/zinc/30/55/16/337305516.db2.gz YIAWFRVHNDTFGA-GFCCVEGCSA-N 0 0 310.357 3.641 10 0 DHAERN CC(C)n1nnnc1CSCCCSCc1ccccc1 ZINC000192541399 337306357 /nfs/dbraw/zinc/30/63/57/337306357.db2.gz QPFXFIUXDXSCLF-UHFFFAOYSA-N 0 0 322.503 3.811 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]1c1cccn1C)c1cccs1 ZINC000193190286 337310101 /nfs/dbraw/zinc/31/01/01/337310101.db2.gz NRMJJVYOZCMMOH-JSGCOSHPSA-N 0 0 303.431 3.694 10 0 DHAERN O[C@H](C[C@H]1c2ncccc2-c2cncn21)C1CCC2(CC2)CC1 ZINC000584590447 337369462 /nfs/dbraw/zinc/36/94/62/337369462.db2.gz OEDPOSRKYMLFOV-DOTOQJQBSA-N 0 0 309.413 3.569 10 0 DHAERN O=C(c1ccccc1)[C@H](F)[C@@](O)(c1ccccc1)C(F)(F)F ZINC000584600480 337370691 /nfs/dbraw/zinc/37/06/91/337370691.db2.gz GZGPWRPCWNQQMQ-GJZGRUSLSA-N 0 0 312.262 3.658 10 0 DHAERN CCOC(=O)C[C@@H]1C[C@@H]([C@H](C)OC(=O)c2ccccc2)C1(C)C ZINC000584600357 337370764 /nfs/dbraw/zinc/37/07/64/337370764.db2.gz JJBXJRNRYCKXTL-BPUTZDHNSA-N 0 0 318.413 3.847 10 0 DHAERN CCOC(=O)N(Cc1ccccc1)OCCOc1ccccc1 ZINC000584600852 337370877 /nfs/dbraw/zinc/37/08/77/337370877.db2.gz GQWXUHMDIISOTA-UHFFFAOYSA-N 0 0 315.369 3.656 10 0 DHAERN Clc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1 ZINC000584620179 337372106 /nfs/dbraw/zinc/37/21/06/337372106.db2.gz QMQJFRBEIOAQNT-UHFFFAOYSA-N 0 0 313.788 3.720 10 0 DHAERN CCCC[C@@H](CC)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000584613166 337372516 /nfs/dbraw/zinc/37/25/16/337372516.db2.gz JOLVWFPZHAFCRZ-CYBMUJFWSA-N 0 0 313.401 3.548 10 0 DHAERN COc1ccc2c(c1)CCN(c1ccc(CC3CC3)cc1)C2=O ZINC000584613078 337372517 /nfs/dbraw/zinc/37/25/17/337372517.db2.gz XIQXKVLCBYGHCE-UHFFFAOYSA-N 0 0 307.393 3.851 10 0 DHAERN OCc1ccc(C2CCCCC2)c(I)c1 ZINC000584596021 337374112 /nfs/dbraw/zinc/37/41/12/337374112.db2.gz IJMLCWKZZLIINI-UHFFFAOYSA-N 0 0 316.182 3.831 10 0 DHAERN NC(=O)c1ccc(Br)c2cc(-c3ccccc3)[nH]c21 ZINC000584619651 337374428 /nfs/dbraw/zinc/37/44/28/337374428.db2.gz XLMUMMMEUTUMRR-UHFFFAOYSA-N 0 0 315.170 3.696 10 0 DHAERN COC(=O)c1cc(-c2cccc(CC(F)F)n2)ccc1Cl ZINC000584597726 337374467 /nfs/dbraw/zinc/37/44/67/337374467.db2.gz ZTUPPDSGWDUWRG-UHFFFAOYSA-N 0 0 311.715 3.996 10 0 DHAERN COCCCOc1cc(CC(=O)C(C)C)cc(Cl)c1F ZINC000584624380 337375311 /nfs/dbraw/zinc/37/53/11/337375311.db2.gz COWFGAHAKKUOMO-UHFFFAOYSA-N 0 0 302.773 3.662 10 0 DHAERN CCCCC1(C)CC(=O)N([C@H](C)Cc2ccccc2)C(=O)C1 ZINC000584624151 337375376 /nfs/dbraw/zinc/37/53/76/337375376.db2.gz BROJWAOHTDWLSN-OAHLLOKOSA-N 0 0 301.430 3.963 10 0 DHAERN CN(C)c1ccc([C@H](O)C2(c3ccccc3)CCOCC2)cc1 ZINC000584625697 337375671 /nfs/dbraw/zinc/37/56/71/337375671.db2.gz PDMCNCLEBAQQCY-IBGZPJMESA-N 0 0 311.425 3.534 10 0 DHAERN COc1ccc([C@]2(O)CCc3cc(OC)ccc3C2(C)C)cc1 ZINC000584626966 337376074 /nfs/dbraw/zinc/37/60/74/337376074.db2.gz VPIWYTRKRYTGQL-HXUWFJFHSA-N 0 0 312.409 3.815 10 0 DHAERN Nc1ccccc1NC(=O)Cc1ccc(Nc2ccccc2)nc1 ZINC000584656644 337378045 /nfs/dbraw/zinc/37/80/45/337378045.db2.gz PILQTIUDPLNYLB-UHFFFAOYSA-N 0 0 318.380 3.589 10 0 DHAERN CCOC(=O)[C@@]1(Cl)C[C@@H]1C(=O)c1cccc2ccccc21 ZINC000584660376 337378222 /nfs/dbraw/zinc/37/82/22/337378222.db2.gz ZVWFJRZOKFNXMW-RHSMWYFYSA-N 0 0 302.757 3.583 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](F)C[C@@]43C)[C@@H]1CCC2=O ZINC000584637550 337379506 /nfs/dbraw/zinc/37/95/06/337379506.db2.gz CKCZFAJNIBVOPP-PPMYXAGCSA-N 0 0 308.437 3.907 10 0 DHAERN Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116039421 337392171 /nfs/dbraw/zinc/39/21/71/337392171.db2.gz DEHGMGQKTJVGMU-QGZVFWFLSA-N 0 0 308.381 3.976 10 0 DHAERN O=C(CCCOc1ccccc1F)N1CCC[C@@H]1c1ccco1 ZINC000116047285 337392297 /nfs/dbraw/zinc/39/22/97/337392297.db2.gz LSVBFLUMBVEKRB-OAHLLOKOSA-N 0 0 317.360 3.941 10 0 DHAERN Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccco2)cc1F ZINC000116406100 337392679 /nfs/dbraw/zinc/39/26/79/337392679.db2.gz UFVYMLTWBOODPK-HNNXBMFYSA-N 0 0 302.349 3.774 10 0 DHAERN CC1(C)C[C@@H](NC(=O)Cc2ccsc2)c2ccccc2O1 ZINC000121385284 337396410 /nfs/dbraw/zinc/39/64/10/337396410.db2.gz RLLFLSAKENVTEQ-CQSZACIVSA-N 0 0 301.411 3.709 10 0 DHAERN CCn1cc(C2CCN(C(=O)C3CCCCCC3)CC2)cn1 ZINC000124113677 337403721 /nfs/dbraw/zinc/40/37/21/337403721.db2.gz LNSIQVIQGVRFSH-UHFFFAOYSA-N 0 0 303.450 3.579 10 0 DHAERN Cc1cccc(NC(=O)N[C@H](Cc2ccccc2)C(F)(F)F)n1 ZINC000124523591 337405865 /nfs/dbraw/zinc/40/58/65/337405865.db2.gz RWLRNSHYDFOQFE-CYBMUJFWSA-N 0 0 323.318 3.685 10 0 DHAERN C[C@H](CCC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1ccccc1 ZINC000124652094 337406665 /nfs/dbraw/zinc/40/66/65/337406665.db2.gz VPMXBJOPJPSFMX-VQIMIIECSA-N 0 0 324.424 3.645 10 0 DHAERN Cc1[nH]c2c(cccc2C(=O)N2CCC(c3cc[nH]n3)CC2)c1C ZINC000125807243 337414040 /nfs/dbraw/zinc/41/40/40/337414040.db2.gz OKZLFLJMQBPVIR-UHFFFAOYSA-N 0 0 322.412 3.528 10 0 DHAERN C[C@H](CCC(C)(C)C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000127076591 337419098 /nfs/dbraw/zinc/41/90/98/337419098.db2.gz IBVJMJFLKXUVGU-OAHLLOKOSA-N 0 0 320.481 3.520 10 0 DHAERN C[C@@H](NC(=O)NC1CCC(O)CC1)c1ccc2ccccc2c1 ZINC000045547838 337421031 /nfs/dbraw/zinc/42/10/31/337421031.db2.gz KVQBECICYCVYEP-NLNFPOJYSA-N 0 0 312.413 3.504 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2Cc2c[nH]nc2C(C)(C)C)no1 ZINC000127847823 337422786 /nfs/dbraw/zinc/42/27/86/337422786.db2.gz BKCRDKCXZRIYOF-ZDUSSCGKSA-N 0 0 317.437 3.551 10 0 DHAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000133790094 337446597 /nfs/dbraw/zinc/44/65/97/337446597.db2.gz GZMOGXRPLGGXCZ-QGZVFWFLSA-N 0 0 322.412 3.875 10 0 DHAERN COc1cc(C(=O)N2CCC[C@H]2c2ccco2)ccc1Cl ZINC000134967731 337450118 /nfs/dbraw/zinc/45/01/18/337450118.db2.gz OXRWVMWYSOSKAY-ZDUSSCGKSA-N 0 0 305.761 3.919 10 0 DHAERN C[C@H](NC(=O)CCCC1CCCCC1)c1nnc2n1CCCC2 ZINC000135400583 337451696 /nfs/dbraw/zinc/45/16/96/337451696.db2.gz MZRZDHRYMUZGOZ-AWEZNQCLSA-N 0 0 318.465 3.542 10 0 DHAERN c1coc(-c2noc(CN3CCCC[C@@H]3c3nccs3)n2)c1 ZINC000195360941 337466229 /nfs/dbraw/zinc/46/62/29/337466229.db2.gz UEOUNUWGFNOSRX-LLVKDONJSA-N 0 0 316.386 3.513 10 0 DHAERN Cc1ccc2nc(CN3CCCC[C@H]3c3nccs3)cn2c1 ZINC000195440244 337466974 /nfs/dbraw/zinc/46/69/74/337466974.db2.gz SVRIKVILQKGMDN-HNNXBMFYSA-N 0 0 312.442 3.826 10 0 DHAERN O=C(c1cc2ccccc2s1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000238852339 337470708 /nfs/dbraw/zinc/47/07/08/337470708.db2.gz JOXNSLKQFFQTLT-CQSZACIVSA-N 0 0 324.405 3.590 10 0 DHAERN C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000245849722 337495366 /nfs/dbraw/zinc/49/53/66/337495366.db2.gz KXZATCIIFOMARO-VYDXJSESSA-N 0 0 317.477 3.936 10 0 DHAERN O=C(c1ccnc2ccccc21)N1CCC[C@H](c2nccs2)C1 ZINC000067048225 337543283 /nfs/dbraw/zinc/54/32/83/337543283.db2.gz TZPYTVRUAZKNBI-ZDUSSCGKSA-N 0 0 323.421 3.711 10 0 DHAERN Cc1cccc(C)c1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000072534665 337547896 /nfs/dbraw/zinc/54/78/96/337547896.db2.gz IJVPAZMTMXSBDC-INIZCTEOSA-N 0 0 319.408 3.980 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000247085016 337557662 /nfs/dbraw/zinc/55/76/62/337557662.db2.gz UHMAPRLFBJMWIP-VBQJREDUSA-N 0 0 316.351 3.731 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2cn[nH]c2)CC(C)(C)C1 ZINC000248528634 337564367 /nfs/dbraw/zinc/56/43/67/337564367.db2.gz DMCQODCTXBDVFZ-YCPHGPKFSA-N 0 0 303.450 3.926 10 0 DHAERN Cc1csc([C@H](C)CNC(=O)[C@H]2C[C@H]2C2CCCCC2)n1 ZINC000248597286 337566009 /nfs/dbraw/zinc/56/60/09/337566009.db2.gz TYQOESJPPABHQY-UGFHNGPFSA-N 0 0 306.475 3.888 10 0 DHAERN Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cc(-c2ccncc2)[nH]n1 ZINC000077613773 337582919 /nfs/dbraw/zinc/58/29/19/337582919.db2.gz BZKVQTWHLBLDNX-CVEARBPZSA-N 0 0 318.380 3.522 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccsc3)C2)cc1 ZINC000078186694 337592243 /nfs/dbraw/zinc/59/22/43/337592243.db2.gz RWDSYMUXITUVBX-SWLSCSKDSA-N 0 0 301.411 3.775 10 0 DHAERN CCC[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc(F)cc1F ZINC000253351328 337600494 /nfs/dbraw/zinc/60/04/94/337600494.db2.gz JBFSGCDNXFUMEW-GHJWDPDVSA-N 0 0 311.372 3.737 10 0 DHAERN Cc1cc(Br)c(C(=O)N[C@H]2C[C@H]2C)cc1Cl ZINC000285957924 337602572 /nfs/dbraw/zinc/60/25/72/337602572.db2.gz AHFBHIDMFHHOGZ-HQJQHLMTSA-N 0 0 302.599 3.549 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@@H](c1ccccc1F)C1CCCC1 ZINC000162421357 337619106 /nfs/dbraw/zinc/61/91/06/337619106.db2.gz WMMLEIMUQAPJDM-SJLPKXTDSA-N 0 0 307.409 3.580 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H]2SCCc3ccccc32)o1 ZINC000079547640 337623777 /nfs/dbraw/zinc/62/37/77/337623777.db2.gz FPRXUYSSHBUHRN-MLGOLLRUSA-N 0 0 301.411 3.796 10 0 DHAERN C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])[C@H](C)c1nc2ccccc2s1 ZINC000263073807 337624035 /nfs/dbraw/zinc/62/40/35/337624035.db2.gz PZRXRIPDNGSJGV-RYUDHWBXSA-N 0 0 320.458 3.879 10 0 DHAERN CCC1CCC(NC(=O)Nc2ccc(F)c(NC(C)=O)c2)CC1 ZINC000079664835 337626019 /nfs/dbraw/zinc/62/60/19/337626019.db2.gz KCINGWYUNJMPAY-UHFFFAOYSA-N 0 0 321.396 3.874 10 0 DHAERN CCN(C(=O)N1C[C@H](c2ccccc2)OCC1(C)C)C(C)C ZINC000162705030 337661366 /nfs/dbraw/zinc/66/13/66/337661366.db2.gz XKQPEBMJGYWTBZ-MRXNPFEDSA-N 0 0 304.434 3.689 10 0 DHAERN C[C@@H](NC(=O)Nc1cccc(OC2CCCC2)c1)[C@@H]1CCCO1 ZINC000044202859 337808491 /nfs/dbraw/zinc/80/84/91/337808491.db2.gz UXCKRCSYJKWIIY-DYVFJYSZSA-N 0 0 318.417 3.697 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)cc2O)o1 ZINC000044491054 337809868 /nfs/dbraw/zinc/80/98/68/337809868.db2.gz NEPDTOADMLQIRK-SECBINFHSA-N 0 0 324.174 3.547 10 0 DHAERN O=C(N[C@H](c1ccccc1)C1CC1)N[C@H]1CCOc2ccccc21 ZINC000045124634 337819136 /nfs/dbraw/zinc/81/91/36/337819136.db2.gz SRIJDMCKKPYVIE-PKOBYXMFSA-N 0 0 322.408 3.961 10 0 DHAERN COc1cccc(OC)c1C(=O)N1CC=C(c2ccccc2)CC1 ZINC000082340833 337836604 /nfs/dbraw/zinc/83/66/04/337836604.db2.gz RNBRTUVNRLGOMX-UHFFFAOYSA-N 0 0 323.392 3.633 10 0 DHAERN Cc1nc(Cc2noc([C@@H](C)c3ccc4ccccc4c3)n2)no1 ZINC000084507646 337845053 /nfs/dbraw/zinc/84/50/53/337845053.db2.gz SWZQRLNTGGMWFN-NSHDSACASA-N 0 0 320.352 3.657 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000117254521 337846832 /nfs/dbraw/zinc/84/68/32/337846832.db2.gz VOUXHHIAJPSIDA-DLBZAZTESA-N 0 0 305.466 3.962 10 0 DHAERN O=C(C[C@@H](O)c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccco1 ZINC000089244725 337867991 /nfs/dbraw/zinc/86/79/91/337867991.db2.gz FGGLCHLGXIOVAY-HUUCEWRRSA-N 0 0 319.788 3.720 10 0 DHAERN CCn1ccnc1C[S@](=O)Cc1ccc(C(C)(C)C)cc1 ZINC000083033654 337992466 /nfs/dbraw/zinc/99/24/66/337992466.db2.gz UJBBQXAMPSTJCI-NRFANRHFSA-N 0 0 304.459 3.649 10 0 DHAERN C[C@H](NC(=O)C(C)(C)Cc1cccc(Cl)c1)[C@H]1CCCO1 ZINC000084743077 338004813 /nfs/dbraw/zinc/00/48/13/338004813.db2.gz OHBXUJOGQDXRQL-SWLSCSKDSA-N 0 0 309.837 3.592 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2Br)O1 ZINC000155710441 338303821 /nfs/dbraw/zinc/30/38/21/338303821.db2.gz CAJJEYDIXZJGRU-CPCISQLKSA-N 0 0 318.598 3.609 10 0 DHAERN O=C(c1cc(Cl)cc(Br)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000437254705 338304774 /nfs/dbraw/zinc/30/47/74/338304774.db2.gz XATHYBFPRQGLDB-UFBFGSQYSA-N 0 0 314.610 3.727 10 0 DHAERN CC[C@H](NC(=O)c1cccc(F)c1Br)C(C)C ZINC000156554426 338368954 /nfs/dbraw/zinc/36/89/54/338368954.db2.gz BSQGUPJYWPMAPC-NSHDSACASA-N 0 0 302.187 3.753 10 0 DHAERN Cc1[nH]c2ccc(C(=O)N[C@H]3COc4ccccc43)cc2c1C ZINC000195009397 338842324 /nfs/dbraw/zinc/84/23/24/338842324.db2.gz YWCIMPBDPWFUHP-KRWDZBQOSA-N 0 0 306.365 3.648 10 0 DHAERN NC(=O)N1c2ccccc2C(=O)C(Cl)(Cl)c2ccccc21 ZINC000504214632 340142956 /nfs/dbraw/zinc/14/29/56/340142956.db2.gz PJCNKGXLGJJUKF-UHFFFAOYSA-N 0 0 321.163 3.730 10 0 DHAERN C[C@H](CC(=O)N[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000172959498 340350034 /nfs/dbraw/zinc/35/00/34/340350034.db2.gz RVFJKWDPLGMSBY-SJORKVTESA-N 0 0 311.425 3.902 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 ZINC000172975226 340350933 /nfs/dbraw/zinc/35/09/33/340350933.db2.gz OFNYVZTZUUVDSV-CQSZACIVSA-N 0 0 317.816 3.604 10 0 DHAERN Cc1ccccc1C1(C(=O)N[C@@H](C)COCc2ccccc2)CC1 ZINC000172974343 340350951 /nfs/dbraw/zinc/35/09/51/340350951.db2.gz ROIILXKNENOTNJ-KRWDZBQOSA-N 0 0 323.436 3.748 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)Cc1ccc(Cl)cc1 ZINC000172975220 340350955 /nfs/dbraw/zinc/35/09/55/340350955.db2.gz OFNYVZTZUUVDSV-AWEZNQCLSA-N 0 0 317.816 3.604 10 0 DHAERN O=C([C@H]1C[C@H]1C1CCCCC1)N1CCSc2ncccc21 ZINC000173300621 340361798 /nfs/dbraw/zinc/36/17/98/340361798.db2.gz JHLGSKFRFAOTKC-KBPBESRZSA-N 0 0 302.443 3.737 10 0 DHAERN O=C([C@H]1C[C@@H]1C1CCCCC1)N1CCSc2ncccc21 ZINC000173300584 340361866 /nfs/dbraw/zinc/36/18/66/340361866.db2.gz JHLGSKFRFAOTKC-KGLIPLIRSA-N 0 0 302.443 3.737 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000173337899 340362953 /nfs/dbraw/zinc/36/29/53/340362953.db2.gz JQUVYSCRRYJGHM-CABCVRRESA-N 0 0 316.445 3.564 10 0 DHAERN C[C@@H](NC(=O)N(C)C1CCC1)c1ccc(OC(F)(F)F)cc1 ZINC000173724287 340372919 /nfs/dbraw/zinc/37/29/19/340372919.db2.gz UXGDVFQQOIBODJ-SNVBAGLBSA-N 0 0 316.323 3.840 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)N1CCC[C@H]1C1CCC1 ZINC000174141541 340382808 /nfs/dbraw/zinc/38/28/08/340382808.db2.gz GHIAGDKMNPEYOL-QAPCUYQASA-N 0 0 316.445 3.566 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccccc1F ZINC000174264861 340385100 /nfs/dbraw/zinc/38/51/00/340385100.db2.gz SBVQXZOTDKTSBR-CYBMUJFWSA-N 0 0 302.349 3.553 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)NCc2nc(C)c(C)s2)cc1 ZINC000174552499 340391437 /nfs/dbraw/zinc/39/14/37/340391437.db2.gz UMROHHJAKIEWOB-GFCCVEGCSA-N 0 0 317.458 3.883 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000174744002 340395457 /nfs/dbraw/zinc/39/54/57/340395457.db2.gz VELFAZHUICHOEM-LSDHHAIUSA-N 0 0 306.475 3.855 10 0 DHAERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000174826916 340396958 /nfs/dbraw/zinc/39/69/58/340396958.db2.gz OQEVCLBJISMXHS-QWHCGFSZSA-N 0 0 321.421 3.888 10 0 DHAERN C[C@H](NC(=O)NCCC1CC1)c1cccc(Br)c1 ZINC000174899626 340398778 /nfs/dbraw/zinc/39/87/78/340398778.db2.gz HCIFYSMWBRPFDH-JTQLQIEISA-N 0 0 311.223 3.609 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)NCC3CCC3)C2)n1 ZINC000175051516 340401986 /nfs/dbraw/zinc/40/19/86/340401986.db2.gz IXVCTXRHPKKYCK-AWEZNQCLSA-N 0 0 321.490 3.956 10 0 DHAERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1cccs1 ZINC000179035003 340452931 /nfs/dbraw/zinc/45/29/31/340452931.db2.gz PZBMAYBKKOMVHY-ZJUUUORDSA-N 0 0 307.419 3.517 10 0 DHAERN CCOC1CC(CCNC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000189749532 340539970 /nfs/dbraw/zinc/53/99/70/340539970.db2.gz SFHYWLBKWSIHKY-MXWWQKGMSA-N 0 0 318.461 3.814 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000190696909 340546585 /nfs/dbraw/zinc/54/65/85/340546585.db2.gz IFSXLPNHVINSKU-VDGAXYAQSA-N 0 0 323.436 3.902 10 0 DHAERN CCC[C@@H](N[C@@H](C)c1cnn(C(C)C)c1C)C(=O)OC(C)(C)C ZINC000191501549 340554995 /nfs/dbraw/zinc/55/49/95/340554995.db2.gz YNTKOEOSHCYECO-XJKSGUPXSA-N 0 0 323.481 3.933 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)C(C)(C)C ZINC000191954099 340560353 /nfs/dbraw/zinc/56/03/53/340560353.db2.gz DQEKVTBXWSIHRZ-CJNGLKHVSA-N 0 0 307.409 3.768 10 0 DHAERN C[C@@H](NC(=O)c1ccoc1Cl)c1cccc(-n2ccnc2)c1 ZINC000192323657 340566041 /nfs/dbraw/zinc/56/60/41/340566041.db2.gz RDGLOGZDUGFDRL-LLVKDONJSA-N 0 0 315.760 3.610 10 0 DHAERN CSC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(C(C)C)cc2)CC1 ZINC000194536170 340593342 /nfs/dbraw/zinc/59/33/42/340593342.db2.gz KESUVHDPNVWWJU-CVEARBPZSA-N 0 0 303.471 3.925 10 0 DHAERN C[C@@H](NC(=O)N[C@H]1COc2ccccc21)c1ccccc1Cl ZINC000194705519 340594966 /nfs/dbraw/zinc/59/49/66/340594966.db2.gz QVFRNEYHPGTSIL-ABAIWWIYSA-N 0 0 316.788 3.834 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1 ZINC000230055120 340617758 /nfs/dbraw/zinc/61/77/58/340617758.db2.gz BBJKDBHSWVGIHQ-BXUZGUMPSA-N 0 0 310.235 3.844 10 0 DHAERN CCC[C@H]1C[C@@H]1NC(=O)c1ccc(F)c(Br)c1 ZINC000231691528 340625254 /nfs/dbraw/zinc/62/52/54/340625254.db2.gz UYTAUNQAQIYWLR-UFBFGSQYSA-N 0 0 300.171 3.507 10 0 DHAERN C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000082340616 340711669 /nfs/dbraw/zinc/71/16/69/340711669.db2.gz FYDIHEVIUICMLP-XJKSGUPXSA-N 0 0 308.381 3.671 10 0 DHAERN CCCOCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000124204652 340797722 /nfs/dbraw/zinc/79/77/22/340797722.db2.gz PQSDLNPQJBAHQF-QMMMGPOBSA-N 0 0 308.180 3.736 10 0 DHAERN CCn1ccnc1COc1c(Cl)c(Cl)ccc1C(C)=O ZINC000067783638 340861646 /nfs/dbraw/zinc/86/16/46/340861646.db2.gz OIBKAXGIXWFNNY-UHFFFAOYSA-N 0 0 313.184 3.991 10 0 DHAERN Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000130775923 341042597 /nfs/dbraw/zinc/04/25/97/341042597.db2.gz JAHNXLPAMFUESM-ZYHUDNBSSA-N 0 0 312.207 3.572 10 0 DHAERN C[C@H](Cc1ccccc1Cl)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000131389032 341084285 /nfs/dbraw/zinc/08/42/85/341084285.db2.gz VWKZGYIETNEUPJ-XOKHGSTOSA-N 0 0 321.848 3.689 10 0 DHAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000131510087 341093021 /nfs/dbraw/zinc/09/30/21/341093021.db2.gz HKAGVYMKMKFZBD-SUNKGSAMSA-N 0 0 322.380 3.792 10 0 DHAERN C[C@@H](NC(=O)NCC(C)(C)CCO)c1ccc(C(C)(C)C)cc1 ZINC000073777621 341121224 /nfs/dbraw/zinc/12/12/24/341121224.db2.gz SQQFWZRZKWPGME-CQSZACIVSA-N 0 0 320.477 3.753 10 0 DHAERN C[C@@H]1CC[C@@H](CC(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000133327821 341172909 /nfs/dbraw/zinc/17/29/09/341172909.db2.gz XCLSIYZGLXEMOW-CHWSQXEVSA-N 0 0 317.433 3.659 10 0 DHAERN CCOc1cc(Cl)ccc1NC(=O)N1CCS[C@@H](C)C1 ZINC000133661807 341181184 /nfs/dbraw/zinc/18/11/84/341181184.db2.gz XSCOJRAAPOXJJG-JTQLQIEISA-N 0 0 314.838 3.708 10 0 DHAERN C[C@@H](NC(=O)NC[C@@H]1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000076470983 341207893 /nfs/dbraw/zinc/20/78/93/341207893.db2.gz SQBKVFWNABYNQN-HZPDHXFCSA-N 0 0 324.428 3.589 10 0 DHAERN C[C@@H]1CN(Cc2ccc(Br)cc2F)CCS1 ZINC000134344073 341213651 /nfs/dbraw/zinc/21/36/51/341213651.db2.gz CXIIOJVYKWXBCD-SECBINFHSA-N 0 0 304.228 3.526 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCOC(C)(C)C2)cc1 ZINC000076958154 341216309 /nfs/dbraw/zinc/21/63/09/341216309.db2.gz SKPXSFNLMQYXSO-DLBZAZTESA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCc2cccc(O)c2)cc1 ZINC000077613686 341227324 /nfs/dbraw/zinc/22/73/24/341227324.db2.gz AISORZHAWIDGTN-VQTJNVASSA-N 0 0 323.436 3.978 10 0 DHAERN CCc1cnc([C@H](C)Nc2ccc(C(F)(F)F)nn2)s1 ZINC000135605615 341242760 /nfs/dbraw/zinc/24/27/60/341242760.db2.gz MJDAVWOCHAGHDK-ZETCQYMHSA-N 0 0 302.325 3.687 10 0 DHAERN CCCCN(CCO)C(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000079219489 341255589 /nfs/dbraw/zinc/25/55/89/341255589.db2.gz LVPAONOTWLFNJL-HNNXBMFYSA-N 0 0 306.450 3.675 10 0 DHAERN Cc1cc2cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)oc2cc1C ZINC000079614315 341262031 /nfs/dbraw/zinc/26/20/31/341262031.db2.gz LFNRDEBSQKEHAG-HOTGVXAUSA-N 0 0 313.397 3.833 10 0 DHAERN C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000079614797 341262033 /nfs/dbraw/zinc/26/20/33/341262033.db2.gz BZAMLSWPPBCVRB-JLSDUUJJSA-N 0 0 319.420 3.564 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)N[C@@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000245501766 341297883 /nfs/dbraw/zinc/29/78/83/341297883.db2.gz DMQLWUQIHXWLRT-FZKCQIBNSA-N 0 0 320.433 3.781 10 0 DHAERN CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(C)o2)CCO1 ZINC000245518169 341299596 /nfs/dbraw/zinc/29/95/96/341299596.db2.gz HNCNDWZYCVVUPA-KMFMINBZSA-N 0 0 322.449 3.932 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000245565646 341302187 /nfs/dbraw/zinc/30/21/87/341302187.db2.gz DTQONLUOBFHTJN-TUFGIGEDSA-N 0 0 315.457 3.986 10 0 DHAERN CC(C)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)nn1C ZINC000081929314 341310280 /nfs/dbraw/zinc/31/02/80/341310280.db2.gz FGJJWVLKGAWNNG-SNVBAGLBSA-N 0 0 323.799 3.827 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1C ZINC000245850629 341316190 /nfs/dbraw/zinc/31/61/90/341316190.db2.gz CVVBJIBRAJMUML-YVECIDJPSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H](N(C)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1(C)CC1 ZINC000245874746 341317025 /nfs/dbraw/zinc/31/70/25/341317025.db2.gz IAEAFGMAHHLNGP-TUAOUCFPSA-N 0 0 306.372 3.938 10 0 DHAERN CCn1c(C)nnc1CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000245949450 341319360 /nfs/dbraw/zinc/31/93/60/341319360.db2.gz WFSGWHSVCCGLHV-XQAQDONZSA-N 0 0 318.852 3.747 10 0 DHAERN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)[C@H]2CC[C@@H](C)O2)cc1 ZINC000246070299 341323635 /nfs/dbraw/zinc/32/36/35/341323635.db2.gz SCCZCOSRYQLJPI-AHCXZYCDSA-N 0 0 301.430 3.862 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12)c1cccs1 ZINC000246175556 341331559 /nfs/dbraw/zinc/33/15/59/341331559.db2.gz IHDGTRHMSKRYIE-HYEYJGRESA-N 0 0 312.438 3.837 10 0 DHAERN CCn1ccnc1C[S@](=O)C(c1ccccc1)c1ccccc1 ZINC000083033499 341340288 /nfs/dbraw/zinc/34/02/88/341340288.db2.gz DOQNZLWABQUOHM-HSZRJFAPSA-N 0 0 324.449 3.941 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C)C2)n1 ZINC000246433200 341348749 /nfs/dbraw/zinc/34/87/49/341348749.db2.gz TVLKLFIVGIGIPW-BPLDGKMQSA-N 0 0 321.490 3.919 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000246502324 341351045 /nfs/dbraw/zinc/35/10/45/341351045.db2.gz HPODFNNPNYCUAN-RLFYNMQTSA-N 0 0 318.461 3.816 10 0 DHAERN C[C@@H]1CC[C@@H](C)N1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000246611723 341354488 /nfs/dbraw/zinc/35/44/88/341354488.db2.gz DOTMYXLCPADJCD-YRGRVCCFSA-N 0 0 314.351 3.742 10 0 DHAERN CC[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000246642191 341354952 /nfs/dbraw/zinc/35/49/52/341354952.db2.gz HKAGVYMKMKFZBD-MJVIPROJSA-N 0 0 322.380 3.792 10 0 DHAERN Cc1cc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1F ZINC000247273062 341363061 /nfs/dbraw/zinc/36/30/61/341363061.db2.gz YDSJLVSISCANCU-KSSFIOAISA-N 0 0 321.342 3.720 10 0 DHAERN C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H]1C ZINC000247453196 341365190 /nfs/dbraw/zinc/36/51/90/341365190.db2.gz PIHOPGCBABLWKZ-YVECIDJPSA-N 0 0 306.372 3.938 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(F)cc2F)C(C)(C)C)O1 ZINC000248114360 341373322 /nfs/dbraw/zinc/37/33/22/341373322.db2.gz COZAXGOWBDUOGK-VCTAVGKDSA-N 0 0 311.372 3.736 10 0 DHAERN C[C@@H]1CN(C(=O)CCc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000248203156 341374758 /nfs/dbraw/zinc/37/47/58/341374758.db2.gz XPBJKSWFMYSAGH-HUUCEWRRSA-N 0 0 303.446 3.553 10 0 DHAERN CC[C@@H]1[C@@H](C)CCN1C(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000248466221 341378451 /nfs/dbraw/zinc/37/84/51/341378451.db2.gz DFVKOZCHOFTAKQ-GZBFAFLISA-N 0 0 320.433 3.595 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC(C)(C)C1 ZINC000248590112 341380658 /nfs/dbraw/zinc/38/06/58/341380658.db2.gz RPHGEKIAIHOJGD-OLMMMNRUSA-N 0 0 307.478 3.602 10 0 DHAERN CC[C@]1(CO)CCCN1C(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000249177363 341394847 /nfs/dbraw/zinc/39/48/47/341394847.db2.gz MIPMQEGWEOKXNY-NLWGTHIKSA-N 0 0 315.457 3.677 10 0 DHAERN CO[C@@H]1CN(C(=O)N[C@H](C)c2ccc(Cl)s2)CC[C@@H]1C ZINC000251693113 341419114 /nfs/dbraw/zinc/41/91/14/341419114.db2.gz JOIIDHWPIMTMQK-HBNTYKKESA-N 0 0 316.854 3.529 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccs2)C12CCCC2 ZINC000152751987 341504422 /nfs/dbraw/zinc/50/44/22/341504422.db2.gz MTVQOIUKKXVUQL-LSDHHAIUSA-N 0 0 322.474 3.627 10 0 DHAERN CCc1cccc(C)c1NC(=O)CN1CCCc2c(N)cccc21 ZINC000261964845 341510399 /nfs/dbraw/zinc/51/03/99/341510399.db2.gz YHLXHMCTKREGNW-UHFFFAOYSA-N 0 0 323.440 3.531 10 0 DHAERN Cc1ccccc1-c1cc(NC(=O)N[C@@H](C)C(C)C)n(C)n1 ZINC000153389903 341537635 /nfs/dbraw/zinc/53/76/35/341537635.db2.gz DQXWVPJEYWEGIS-ZDUSSCGKSA-N 0 0 300.406 3.562 10 0 DHAERN COc1ccc([C@H](C)C(=O)Nc2cccc(OCCF)c2)cc1 ZINC000153875686 341580716 /nfs/dbraw/zinc/58/07/16/341580716.db2.gz SNKGCLYINHFODP-ZDUSSCGKSA-N 0 0 317.360 3.786 10 0 DHAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000154065535 341584018 /nfs/dbraw/zinc/58/40/18/341584018.db2.gz JYXXETXPFXWPKL-HOTGVXAUSA-N 0 0 308.853 3.853 10 0 DHAERN Cc1csc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)n1 ZINC000155709064 341611686 /nfs/dbraw/zinc/61/16/86/341611686.db2.gz HJAYHKRUOQMOQG-ZDUSSCGKSA-N 0 0 305.378 3.790 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CC1(O)CCCC1 ZINC000156457124 341621698 /nfs/dbraw/zinc/62/16/98/341621698.db2.gz ZMZBRYTYXFFLEZ-KRWDZBQOSA-N 0 0 301.430 3.512 10 0 DHAERN O=C(N[C@H]1CCCc2cc(F)ccc21)c1scnc1C1CC1 ZINC000157893185 341647360 /nfs/dbraw/zinc/64/73/60/341647360.db2.gz JMLIIMIBJQXQMM-AWEZNQCLSA-N 0 0 316.401 3.967 10 0 DHAERN CC(C)Oc1ccc([C@@H](C)NC(=O)N2CCS[C@H](C)C2)cc1 ZINC000171739553 341784055 /nfs/dbraw/zinc/78/40/55/341784055.db2.gz RRKXPYHKGFEMIB-ZIAGYGMSSA-N 0 0 322.474 3.682 10 0 DHAERN O=C(NC/C=C/c1ccccc1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171992593 341789528 /nfs/dbraw/zinc/78/95/28/341789528.db2.gz MEQSFDADCAMOIU-YOSLTCIPSA-N 0 0 313.347 3.898 10 0 DHAERN CC[C@H](C)N(C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000178218344 341949488 /nfs/dbraw/zinc/94/94/88/341949488.db2.gz VRMKSMTVAPGMPC-WCQYABFASA-N 0 0 302.340 3.600 10 0 DHAERN CC(C)Cn1ncnc1CN[C@@H](C)c1ccc2ccccc2c1 ZINC000183093147 519545637 /nfs/dbraw/zinc/54/56/37/519545637.db2.gz JXGRNMSYEDDNEK-HNNXBMFYSA-N 0 0 308.429 3.938 10 0 DHAERN CC(C)Cn1ncnc1CN[C@H](C)c1ccc2ccccc2c1 ZINC000183093165 519547744 /nfs/dbraw/zinc/54/77/44/519547744.db2.gz JXGRNMSYEDDNEK-OAHLLOKOSA-N 0 0 308.429 3.938 10 0 DHAERN CC(C)NC(=O)[C@H]1CCCO[C@H]1c1ccc(Cl)cc1Cl ZINC000182149988 519716013 /nfs/dbraw/zinc/71/60/13/519716013.db2.gz UNPDOIYEQDTHNA-JSGCOSHPSA-N 0 0 316.228 3.986 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000128419739 519743493 /nfs/dbraw/zinc/74/34/93/519743493.db2.gz ZUARFVMZOSFCFC-DLBZAZTESA-N 0 0 300.402 3.800 10 0 DHAERN CC(C)OCCCC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000183121137 519758372 /nfs/dbraw/zinc/75/83/72/519758372.db2.gz KFAPKNYPQLIEIO-HNNXBMFYSA-N 0 0 305.418 3.610 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000181858789 519759889 /nfs/dbraw/zinc/75/98/89/519759889.db2.gz XGICUZKLTGEZPM-ZDUSSCGKSA-N 0 0 312.841 3.905 10 0 DHAERN CC(C)COc1ccc([C@H](C)NCc2nc(C3CC3)no2)cc1 ZINC000181397571 519763930 /nfs/dbraw/zinc/76/39/30/519763930.db2.gz JLGFEPAOTBVURN-ZDUSSCGKSA-N 0 0 315.417 3.833 10 0 DHAERN CCC(CC)(CC)CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000154710262 521388808 /nfs/dbraw/zinc/38/88/08/521388808.db2.gz ZJNXFRSEPLJTKF-UHFFFAOYSA-N 0 0 320.481 3.526 10 0 DHAERN CC[C@H](C)OCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000156153794 521747741 /nfs/dbraw/zinc/74/77/41/521747741.db2.gz WQUKPJWBGFEXOV-UONOGXRCSA-N 0 0 324.490 3.788 10 0 DHAERN CCc1csc([C@@H]2CCCN(Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013209 522111913 /nfs/dbraw/zinc/11/19/13/522111913.db2.gz JVJYGPBWHSDAHR-CQSZACIVSA-N 0 0 318.490 3.863 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cc(Cl)c(C)cc1Br ZINC000127033554 522176892 /nfs/dbraw/zinc/17/68/92/522176892.db2.gz SEWZLIBZKFMMJK-MRVPVSSYSA-N 0 0 320.614 3.632 10 0 DHAERN COC[C@H](C)C(=O)N(Cc1c(F)cccc1F)C1CCCC1 ZINC000104416303 522546379 /nfs/dbraw/zinc/54/63/79/522546379.db2.gz FQMOUJTZWVNUDJ-LBPRGKRZSA-N 0 0 311.372 3.519 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC000189308423 522589504 /nfs/dbraw/zinc/58/95/04/522589504.db2.gz WWDBLRAMKUCHKC-GFCCVEGCSA-N 0 0 323.849 3.638 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC000189308450 522600381 /nfs/dbraw/zinc/60/03/81/522600381.db2.gz WWDBLRAMKUCHKC-LBPRGKRZSA-N 0 0 323.849 3.638 10 0 DHAERN COC[C@H](C)Oc1ccc(Cl)cc1N[C@H]1CCOC[C@@H]1C ZINC000195128464 522638161 /nfs/dbraw/zinc/63/81/61/522638161.db2.gz CFAHHZLUQGCCPE-OBJOEFQTSA-N 0 0 313.825 3.591 10 0 DHAERN CN(CCC1CC1)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000122818898 522703115 /nfs/dbraw/zinc/70/31/15/522703115.db2.gz ZVTCMIVAMCZTTO-AWEZNQCLSA-N 0 0 314.351 3.602 10 0 DHAERN CN(CCC1CCOCC1)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000161696331 522713564 /nfs/dbraw/zinc/71/35/64/522713564.db2.gz OLFWXVUYDFWTMV-GOSISDBHSA-N 0 0 316.445 3.522 10 0 DHAERN COCCC(C)(C)CNC(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000185433992 522980171 /nfs/dbraw/zinc/98/01/71/522980171.db2.gz IUFBSEXEADYOCW-LBPRGKRZSA-N 0 0 312.841 3.763 10 0 DHAERN CCn1c(C)nnc1CN[C@@H](c1ccc(F)cc1F)C(C)(C)C ZINC000181614969 523156753 /nfs/dbraw/zinc/15/67/53/523156753.db2.gz WTVIYFNORCQVIM-INIZCTEOSA-N 0 0 322.403 3.762 10 0 DHAERN COCc1noc([C@@H](C)N[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000183008094 523270582 /nfs/dbraw/zinc/27/05/82/523270582.db2.gz OSTXHSMYBYKDHR-QWHCGFSZSA-N 0 0 311.385 3.781 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3ccc(C)c(C)c3)CC2)cn1 ZINC000123760484 523354633 /nfs/dbraw/zinc/35/46/33/523354633.db2.gz BCTSFDOKRGLJCI-UHFFFAOYSA-N 0 0 311.429 3.540 10 0 DHAERN COc1ccc(C(F)(F)C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000119505864 523794492 /nfs/dbraw/zinc/79/44/92/523794492.db2.gz OTHAWAWSFHNLIG-LLVKDONJSA-N 0 0 309.312 3.566 10 0 DHAERN COC(=O)[C@H](N[C@@H](C)c1ccccc1C)c1ccccc1F ZINC000173806285 523931003 /nfs/dbraw/zinc/93/10/03/523931003.db2.gz ZORWOMFHDLTCNL-SUMWQHHRSA-N 0 0 301.361 3.699 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000128382703 524035546 /nfs/dbraw/zinc/03/55/46/524035546.db2.gz DHPVUVWEERPLMB-ZDUSSCGKSA-N 0 0 304.415 3.974 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2c(C)noc2C)o1 ZINC000128308396 524053446 /nfs/dbraw/zinc/05/34/46/524053446.db2.gz ZRGNZNQHHDKVMC-CQSZACIVSA-N 0 0 302.374 3.814 10 0 DHAERN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)cc1Cl ZINC000161994299 524060864 /nfs/dbraw/zinc/06/08/64/524060864.db2.gz YMVFIXJMCJIOGA-NSHDSACASA-N 0 0 322.792 3.810 10 0 DHAERN C[C@@H](C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1)c1ccccc1 ZINC000183388373 524120679 /nfs/dbraw/zinc/12/06/79/524120679.db2.gz RNWFMMYJZHEGDC-UXPWSPDFSA-N 0 0 323.436 3.905 10 0 DHAERN COc1ccc(CSCc2nnc(C(C)C)n2C)cc1F ZINC000182345821 524125975 /nfs/dbraw/zinc/12/59/75/524125975.db2.gz AVUVHZLZEXKWKH-UHFFFAOYSA-N 0 0 309.410 3.520 10 0 DHAERN COc1ccc(Cl)cc1CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000106223409 524207555 /nfs/dbraw/zinc/20/75/55/524207555.db2.gz WGYSUVZBONGCCB-MRXNPFEDSA-N 0 0 319.836 3.691 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cccc(C2SCCS2)c1 ZINC000191142967 525015651 /nfs/dbraw/zinc/01/56/51/525015651.db2.gz NGYAHWNRPIWTNS-BXUZGUMPSA-N 0 0 323.483 3.919 10 0 DHAERN Cc1ccccc1Cc1noc(CN[C@H](C)c2cccs2)n1 ZINC000182552312 525207989 /nfs/dbraw/zinc/20/79/89/525207989.db2.gz YTDVGJUPFNLBHL-CYBMUJFWSA-N 0 0 313.426 3.881 10 0 DHAERN Cc1ccc(NC(=O)[C@H]2CCCO[C@@H]2C)c(Br)c1 ZINC000190575693 525223092 /nfs/dbraw/zinc/22/30/92/525223092.db2.gz YBVSEDYYOLUSOR-MNOVXSKESA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccc(F)c(F)c1 ZINC000112430706 525225248 /nfs/dbraw/zinc/22/52/48/525225248.db2.gz QBYKBHOQWRDOHA-WDEREUQCSA-N 0 0 320.339 3.792 10 0 DHAERN C[C@@H](NC(=O)[C@H]1CCCc2n[nH]cc21)c1ccc2ccccc2c1 ZINC000131811171 525292511 /nfs/dbraw/zinc/29/25/11/525292511.db2.gz SCXACRMDHKQDBX-DYVFJYSZSA-N 0 0 319.408 3.860 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)N[C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000158756307 525325293 /nfs/dbraw/zinc/32/52/93/525325293.db2.gz VEPRRWOUEPIAAC-RLCCDNCMSA-N 0 0 315.804 3.532 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1Br ZINC000160591050 525326976 /nfs/dbraw/zinc/32/69/76/525326976.db2.gz NFAGTDKAEYMONV-LDWIPMOCSA-N 0 0 322.124 3.606 10 0 DHAERN Cc1ccccc1[C@@H](C)CC(=O)N1CCC[C@H]1c1cnn(C)c1 ZINC000116191132 525345134 /nfs/dbraw/zinc/34/51/34/525345134.db2.gz PMFLXJLVIPBACC-YJBOKZPZSA-N 0 0 311.429 3.586 10 0 DHAERN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H]2CCCO[C@@H]2C)C1 ZINC000188246897 525459369 /nfs/dbraw/zinc/45/93/69/525459369.db2.gz SACLACUEKVTFKK-BQGCOEIASA-N 0 0 305.393 3.550 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000189184939 525556587 /nfs/dbraw/zinc/55/65/87/525556587.db2.gz WKTFMNFOUACUAN-FZMZJTMJSA-N 0 0 315.335 3.935 10 0 DHAERN CSCC[C@H](NC(=O)[C@H]1CC1(C)C)c1nc2ccccc2[nH]1 ZINC000127379047 525588985 /nfs/dbraw/zinc/58/89/85/525588985.db2.gz ZLSUPPBLUYKSNO-RISCZKNCSA-N 0 0 317.458 3.519 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2csc(C(F)(F)F)n2)o1 ZINC000188941907 525719399 /nfs/dbraw/zinc/71/93/99/525719399.db2.gz AYUFOTZGYUHBBO-SSDOTTSWSA-N 0 0 304.293 3.554 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000188050633 525800308 /nfs/dbraw/zinc/80/03/08/525800308.db2.gz JHRWQDVTPKINCK-NXHRZFHOSA-N 0 0 301.430 3.864 10 0 DHAERN COc1cccc(CC(=O)N2CCCC[C@H]2c2ccc(C)o2)c1 ZINC000127827927 525866409 /nfs/dbraw/zinc/86/64/09/525866409.db2.gz NJRYVYIPVKRFII-KRWDZBQOSA-N 0 0 313.397 3.893 10 0 DHAERN CS[C@H](C)CC(=O)N[C@H](C)c1ccccc1Br ZINC000155685107 525867543 /nfs/dbraw/zinc/86/75/43/525867543.db2.gz DMOOKGMWPSUOGA-NXEZZACHSA-N 0 0 316.264 3.768 10 0 DHAERN CSc1c(F)cc(NCc2nnc(C(C)C)n2C)cc1F ZINC000181872900 525919596 /nfs/dbraw/zinc/91/95/96/525919596.db2.gz VYCVTNQLNTYCRL-UHFFFAOYSA-N 0 0 312.389 3.551 10 0 DHAERN CSc1cc(C(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccc1F ZINC000162819313 525925769 /nfs/dbraw/zinc/92/57/69/525925769.db2.gz SAPUXYHKXUVMEA-CQSZACIVSA-N 0 0 319.405 3.638 10 0 DHAERN Cc1ccc([C@H]2CCCCCN2Cc2nnc(C(C)C)n2C)o1 ZINC000158625555 525990282 /nfs/dbraw/zinc/99/02/82/525990282.db2.gz ZDWXLBKDIXLMRX-OAHLLOKOSA-N 0 0 316.449 3.957 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000130826584 526043250 /nfs/dbraw/zinc/04/32/50/526043250.db2.gz FAUPBOVPFAEZIM-LBPRGKRZSA-N 0 0 319.836 3.563 10 0 DHAERN COc1cccc(Cl)c1CC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000152982410 526095449 /nfs/dbraw/zinc/09/54/49/526095449.db2.gz ZTQIDPQAKSFOHR-NSHDSACASA-N 0 0 307.777 3.670 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1nccs1)[C@@H](C)C2 ZINC000181909152 526202202 /nfs/dbraw/zinc/20/22/02/526202202.db2.gz RBVJSXHEVQNOFD-BLLLJJGKSA-N 0 0 315.442 3.526 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)C3CCC(C)(C)CC3)C2)c1 ZINC000158191873 526267148 /nfs/dbraw/zinc/26/71/48/526267148.db2.gz OZBGJOMYAXUOET-INIZCTEOSA-N 0 0 303.450 3.571 10 0 DHAERN O=C(CC(F)(F)F)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130037327 526323374 /nfs/dbraw/zinc/32/33/74/526323374.db2.gz YQLXADSKRMGHEJ-GFCCVEGCSA-N 0 0 313.319 3.892 10 0 DHAERN Cc1csc([C@@H]2CN(CCCc3cccc(F)c3)CCO2)n1 ZINC000182723802 526423358 /nfs/dbraw/zinc/42/33/58/526423358.db2.gz WGISRTDBMWXOLE-INIZCTEOSA-N 0 0 320.433 3.597 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccccc3Cl)CCO2)n1 ZINC000157077912 526445761 /nfs/dbraw/zinc/44/57/61/526445761.db2.gz CILSEYFLCYGDRB-CQSZACIVSA-N 0 0 308.834 3.678 10 0 DHAERN Cc1nc(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c(C)s1 ZINC000163606676 526791656 /nfs/dbraw/zinc/79/16/56/526791656.db2.gz DPCTUJQAXMPVLK-GHMZBOCLSA-N 0 0 320.380 3.540 10 0 DHAERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(Cl)cn2)cs1 ZINC000186896020 527048633 /nfs/dbraw/zinc/04/86/33/527048633.db2.gz INHOODQUAGOHPS-LBPRGKRZSA-N 0 0 322.821 3.869 10 0 DHAERN O=C(Nc1ccc2[nH]ccc2c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000184715959 527265508 /nfs/dbraw/zinc/26/55/08/527265508.db2.gz JSMRZNOFSUIGSK-INIZCTEOSA-N 0 0 309.373 3.650 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)NCCC2=CCCCCC2)cn1 ZINC000184075149 527297645 /nfs/dbraw/zinc/29/76/45/527297645.db2.gz NCVUGSXEXRXXRC-KRWDZBQOSA-N 0 0 316.449 3.547 10 0 DHAERN O=C(/C=C/c1ccc(O)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000183353834 527616705 /nfs/dbraw/zinc/61/67/05/527616705.db2.gz PPFIFQGDAXXMDY-YSDIBMRGSA-N 0 0 313.319 3.643 10 0 DHAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000124891393 527665626 /nfs/dbraw/zinc/66/56/26/527665626.db2.gz NMKPJZGZDOMQFQ-QMTHXVAHSA-N 0 0 317.820 3.750 10 0 DHAERN Cc1nn(C)cc1[C@@H](C)Nc1cccc(Br)c1C ZINC000182748919 527697599 /nfs/dbraw/zinc/69/75/99/527697599.db2.gz YMXAABZYFNNWDO-SNVBAGLBSA-N 0 0 308.223 3.973 10 0 DHAERN CCC1CCC(NC(=O)c2ncsc2Br)CC1 ZINC000288010972 535320799 /nfs/dbraw/zinc/32/07/99/535320799.db2.gz MCUMSLWTCKYNNY-UHFFFAOYSA-N 0 0 317.252 3.604 10 0 DHAERN CCOC(=O)c1sc(Br)cc1C1CCOCC1 ZINC000675057858 563910264 /nfs/dbraw/zinc/91/02/64/563910264.db2.gz LQSDFUKSYXTAHP-UHFFFAOYSA-N 0 0 319.220 3.581 10 0 DHAERN Nc1ccc(N2CCCCC2)c(NC(=O)c2cccs2)c1 ZINC000226254156 563913258 /nfs/dbraw/zinc/91/32/58/563913258.db2.gz YLKOZKJBWKKDNU-UHFFFAOYSA-N 0 0 301.415 3.573 10 0 DHAERN Cc1cc(NC(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C ZINC000226275777 563913634 /nfs/dbraw/zinc/91/36/34/563913634.db2.gz RLCXKSYGYIXPEU-LLVKDONJSA-N 0 0 300.324 3.875 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC(=O)O2 ZINC000004777675 560200020 /nfs/dbraw/zinc/20/00/20/560200020.db2.gz CXFWIKINSICEBC-ARKCUIHYSA-N 0 0 304.430 3.894 10 0 in-vitro DHAERN CC(C)CCCCCCCCCCCC(=O)OC[C@@H](O)CO ZINC000015261757 560229935 /nfs/dbraw/zinc/22/99/35/560229935.db2.gz CALSYPDGGJMMDZ-KRWDZBQOSA-N 0 0 316.482 3.830 10 0 biogenic DHAERN CCCC(CCC)C(=O)N1CC(OCc2cccc(F)c2)C1 ZINC000064666035 563370631 /nfs/dbraw/zinc/37/06/31/563370631.db2.gz XUFHRKHZANHKHM-UHFFFAOYSA-N 0 0 307.409 3.770 10 0 DHAERN CCC(CC)C(=O)N1CC(OCc2ccc(F)cc2Cl)C1 ZINC000064666090 563370800 /nfs/dbraw/zinc/37/08/00/563370800.db2.gz CISVMXOYINCNTG-UHFFFAOYSA-N 0 0 313.800 3.643 10 0 DHAERN CCn1nc(-c2c(C)cc(C)cc2C)cc1C(=O)NCC1CC1 ZINC000034903451 563452137 /nfs/dbraw/zinc/45/21/37/563452137.db2.gz RWBFDSUBJCWGQI-UHFFFAOYSA-N 0 0 311.429 3.635 10 0 DHAERN Cc1nc(N)sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000048553696 563466582 /nfs/dbraw/zinc/46/65/82/563466582.db2.gz IUIMOCSUQUWIHY-UHFFFAOYSA-N 0 0 302.186 3.593 10 0 DHAERN CCOc1ccccc1/C=C1\S[C@H]2Nc3ccccc3N2C1=O ZINC000048512996 563466596 /nfs/dbraw/zinc/46/65/96/563466596.db2.gz HVOFULOHHIAOQG-QMJOVRGKSA-N 0 0 324.405 3.915 10 0 DHAERN Cc1ccc(CSc2nc3ccccc3n3nnnc23)cc1C ZINC000033277819 563518344 /nfs/dbraw/zinc/51/83/44/563518344.db2.gz NSFIBJHWFFVFHK-UHFFFAOYSA-N 0 0 321.409 3.582 10 0 DHAERN CCc1c(C)cc2nc(C[C@@H](C)CC)nn2c1Br ZINC000725248250 563527022 /nfs/dbraw/zinc/52/70/22/563527022.db2.gz PMIYAFFVHNZOFQ-VIFPVBQESA-N 0 0 310.239 3.951 10 0 DHAERN Oc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 ZINC000098210636 563544492 /nfs/dbraw/zinc/54/44/92/563544492.db2.gz NJLIFUDHGDDCFS-UHFFFAOYSA-N 0 0 317.076 3.784 10 0 DHAERN Oc1cc2c(Br)cccc2nc1[C@H]1CCCOC1 ZINC000725267385 563573947 /nfs/dbraw/zinc/57/39/47/563573947.db2.gz BZSBHDVQOLJWSW-VIFPVBQESA-N 0 0 308.175 3.597 10 0 DHAERN Cc1ccc(NCn2c3ccc(Cl)cc3oc2=O)c(C)c1 ZINC000000175284 563574567 /nfs/dbraw/zinc/57/45/67/563574567.db2.gz RFPUYQYSGPJBDV-UHFFFAOYSA-N 0 0 302.761 3.934 10 0 DHAERN Cc1noc(C)c1[C@H](C)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190375866 563796125 /nfs/dbraw/zinc/79/61/25/563796125.db2.gz DFXPYAKTILRGJW-WFBYXXMGSA-N 0 0 319.405 3.745 10 0 DHAERN CCn1cnc2cc(CNC(=O)c3cc(C)ccc3C)ccc21 ZINC000064754811 563893191 /nfs/dbraw/zinc/89/31/91/563893191.db2.gz KHRHCNZTVNPYLO-UHFFFAOYSA-N 0 0 307.397 3.603 10 0 DHAERN CCOC(=O)c1c(C)nc(C(F)(F)Br)c(C)c1C ZINC000675081439 563911403 /nfs/dbraw/zinc/91/14/03/563911403.db2.gz CLTWEZHTSJLTLT-UHFFFAOYSA-N 0 0 322.149 3.628 10 0 DHAERN Cc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1 ZINC000226254413 563913295 /nfs/dbraw/zinc/91/32/95/563913295.db2.gz SQOBLASFOYHQIF-UHFFFAOYSA-N 0 0 309.413 3.820 10 0 DHAERN C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccs2)cc1N ZINC000226263141 563913399 /nfs/dbraw/zinc/91/33/99/563913399.db2.gz YAPUFVCREIMOGI-GFCCVEGCSA-N 0 0 315.442 3.961 10 0 DHAERN Nc1cc(NC(=O)c2ccccc2F)ccc1N1CCCCC1 ZINC000226266081 563913618 /nfs/dbraw/zinc/91/36/18/563913618.db2.gz LXTGMZKJICSOPR-UHFFFAOYSA-N 0 0 313.376 3.651 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCCC[C@@H]2C)cc1 ZINC000226284973 563913672 /nfs/dbraw/zinc/91/36/72/563913672.db2.gz MIVZUFICAOUDEG-LBPRGKRZSA-N 0 0 314.351 3.981 10 0 DHAERN CC1=C(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2Br)CC1 ZINC000382497944 971817912 /nfs/dbraw/zinc/81/79/12/971817912.db2.gz MARKGZWNFQKWFU-UHFFFAOYSA-N 0 0 324.218 3.689 10 0 DHAERN C[C@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000722131663 955193136 /nfs/dbraw/zinc/19/31/36/955193136.db2.gz COBLMBAGHLGSSZ-HZMBPMFUSA-N 0 0 316.228 3.721 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000722135617 955193727 /nfs/dbraw/zinc/19/37/27/955193727.db2.gz MVDJOFDGZGXYBT-ZYHUDNBSSA-N 0 0 316.228 3.579 10 0 DHAERN C[C@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@@H]1C(=O)[O-] ZINC000722138055 955193794 /nfs/dbraw/zinc/19/37/94/955193794.db2.gz FRZFPGPZCPAMMC-HZMBPMFUSA-N 0 0 316.228 3.579 10 0 DHAERN O=C([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c(Br)c1 ZINC000710328470 977503759 /nfs/dbraw/zinc/50/37/59/977503759.db2.gz CSEJOOLWXBMGIQ-WFASDCNBSA-N 0 0 324.218 3.570 10 0 DHAERN C[C@H]1C[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@]1(C)C(=O)[O-] ZINC000722134839 978132793 /nfs/dbraw/zinc/13/27/93/978132793.db2.gz DMMPCYVAXBVEAC-BONVTDFDSA-N 0 0 316.228 3.579 10 0 DHAERN CC(C)[C@H](C)CC(=O)Nc1ccc(NC2CCOCC2)cc1 ZINC000069436188 1014804543 /nfs/dbraw/zinc/80/45/43/1014804543.db2.gz ZZJUMKNOASPHBB-CQSZACIVSA-N 0 0 304.434 3.898 10 0 DHAERN CC(C)[C@H](C)CC(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000089953847 1032375242 /nfs/dbraw/zinc/37/52/42/1032375242.db2.gz FZBZWFNWJMDNMU-ZIAGYGMSSA-N 0 0 315.417 3.639 10 0 DHAERN CC(C)=C(F)C(=O)N[C@H](c1noc(C)n1)c1ccc(Cl)cc1 ZINC000092527440 1032501499 /nfs/dbraw/zinc/50/14/99/1032501499.db2.gz CBCGTBSDLUBJLK-ZDUSSCGKSA-N 0 0 323.755 3.500 10 0 DHAERN C[C@@H]1CC(C(=O)Nc2cc(Cl)c(Cl)cn2)C[C@@H](C)O1 ZINC000091922583 1019493881 /nfs/dbraw/zinc/49/38/81/1019493881.db2.gz KPLXVGXXSDKHGC-HTQZYQBOSA-N 0 0 303.189 3.531 10 0 DHAERN Cc1csc(SCC(=O)N2CCC[C@H]2c2cccs2)n1 ZINC000048643580 1025664968 /nfs/dbraw/zinc/66/49/68/1025664968.db2.gz ZHXPUDFSTXOUMO-NSHDSACASA-N 0 0 324.496 3.969 10 0 DHAERN O=C(c1ccnc2ccccc21)N1CCC[C@@H](c2nccs2)C1 ZINC000067048226 1030524121 /nfs/dbraw/zinc/52/41/21/1030524121.db2.gz TZPYTVRUAZKNBI-CYBMUJFWSA-N 0 0 323.421 3.711 10 0 DHAERN CC(C)[C@@H](C)CC(=O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000067924454 1030528988 /nfs/dbraw/zinc/52/89/88/1030528988.db2.gz WTKSWXFJBYKGNP-BLLLJJGKSA-N 0 0 311.372 3.547 10 0 DHAERN C[C@H](CC1CC1)NC(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000074205890 1030615141 /nfs/dbraw/zinc/61/51/41/1030615141.db2.gz RKLHKUMCZOEXQA-CYBMUJFWSA-N 0 0 319.424 3.600 10 0 DHAERN C[C@H](NC(=O)Nc1cnn(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000079648265 1031178501 /nfs/dbraw/zinc/17/85/01/1031178501.db2.gz JUMFGQGXSYEIBJ-LBPRGKRZSA-N 0 0 300.406 3.600 10 0 DHAERN O=C([C@@H]1CCCn2ccnc21)N1CCC[C@H](c2ccccc2)CC1 ZINC000080637041 1031423022 /nfs/dbraw/zinc/42/30/22/1031423022.db2.gz GBNQQMBYTHBWTG-ZWKOTPCHSA-N 0 0 323.440 3.557 10 0 DHAERN COc1cc(OC)cc([C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000081642958 1031566694 /nfs/dbraw/zinc/56/66/94/1031566694.db2.gz JJEJTVKCXYVXRV-OAHLLOKOSA-N 0 0 317.429 3.600 10 0 DHAERN CO[C@H](C)CNC(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000190450537 334929956 /nfs/dbraw/zinc/92/99/56/334929956.db2.gz HOKHFEABKSCPPK-HUUCEWRRSA-N 0 0 322.449 3.507 10 0 DHAERN CSc1cccc(OC2CC2)c1I ZINC000095733120 185383598 /nfs/dbraw/zinc/38/35/98/185383598.db2.gz UVVIGAHKSKXNSG-UHFFFAOYSA-N 0 0 306.168 3.554 10 0 DHAERN COc1ccc(-c2cnc(Nc3ccc(C)c(N)c3)nc2)cc1 ZINC000079069758 185153217 /nfs/dbraw/zinc/15/32/17/185153217.db2.gz RNTKULVHEDWAJF-UHFFFAOYSA-N 0 0 306.369 3.786 10 0 DHAERN O=C(Cc1cc(F)ccc1F)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000079433936 185171404 /nfs/dbraw/zinc/17/14/04/185171404.db2.gz IZBDPCAPNCWZEZ-JQWIXIFHSA-N 0 0 321.289 3.745 10 0 DHAERN Cn1cccc1[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1 ZINC000083054980 185212245 /nfs/dbraw/zinc/21/22/45/185212245.db2.gz RHJFMXDEVUPYPL-MRXNPFEDSA-N 0 0 301.365 3.923 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@H](CC)c1ccc(F)cc1F ZINC000088559882 185257895 /nfs/dbraw/zinc/25/78/95/185257895.db2.gz ULHZXOISYVPCBR-CABCVRRESA-N 0 0 320.387 3.695 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000090226499 185287679 /nfs/dbraw/zinc/28/76/79/185287679.db2.gz HLLYLKKLCOKKPE-YGRLFVJLSA-N 0 0 324.350 3.791 10 0 DHAERN COc1cc(C=O)ccc1OCCc1coc(-c2ccccc2)n1 ZINC000090525648 185300396 /nfs/dbraw/zinc/30/03/96/185300396.db2.gz ZXOBSOFQCWYSCZ-UHFFFAOYSA-N 0 0 323.348 3.784 10 0 DHAERN CCCC(CCC)C(=O)N1NC(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000090416146 185295100 /nfs/dbraw/zinc/29/51/00/185295100.db2.gz OQOAHJJTTPMKKN-HNNXBMFYSA-N 0 0 322.836 3.861 10 0 DHAERN Oc1cc(Cl)cc(Oc2cncc(Br)c2)c1 ZINC000090550635 185302346 /nfs/dbraw/zinc/30/23/46/185302346.db2.gz ITZFNUCAFNMWFF-UHFFFAOYSA-N 0 0 300.539 3.995 10 0 DHAERN Fc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1Cl ZINC000092831442 185344509 /nfs/dbraw/zinc/34/45/09/185344509.db2.gz USZUTBZZBQCTOR-ZDUSSCGKSA-N 0 0 312.797 3.509 10 0 DHAERN Fc1c(Cl)cccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000092831918 185344605 /nfs/dbraw/zinc/34/46/05/185344605.db2.gz RMJPNWYUQTXRCT-GFCCVEGCSA-N 0 0 312.797 3.509 10 0 DHAERN O=C(OCCc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000097020023 185398295 /nfs/dbraw/zinc/39/82/95/185398295.db2.gz RKACJBCEAKFKFP-DFNIBXOVSA-N 0 0 322.404 3.931 10 0 DHAERN COC[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC ZINC000103357259 185447719 /nfs/dbraw/zinc/44/77/19/185447719.db2.gz MODWHTKDRLAGBD-NSHDSACASA-N 0 0 313.353 3.816 10 0 DHAERN Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCCC1 ZINC000226275460 201772103 /nfs/dbraw/zinc/77/21/03/201772103.db2.gz MKYQZLHDCIPNCT-UHFFFAOYSA-N 0 0 300.324 3.510 10 0 DHAERN CN(C)c1ccc(N)cc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000226324160 201775506 /nfs/dbraw/zinc/77/55/06/201775506.db2.gz ORRDNMWUSGFQLU-UHFFFAOYSA-N 0 0 323.318 3.606 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)C[C@@H](C)C3)o2)cc1N ZINC000226304155 201773876 /nfs/dbraw/zinc/77/38/76/201773876.db2.gz FVKGFQZCHKMOQQ-CHWSQXEVSA-N 0 0 312.413 3.955 10 0 DHAERN CCOC(=O)c1sc(C)c(C)c1NC(=O)c1ccccc1 ZINC000000050859 180678007 /nfs/dbraw/zinc/67/80/07/180678007.db2.gz JZQRQLJOHZOPJF-UHFFFAOYSA-N 0 0 303.383 3.794 10 0 DHAERN NC(=S)N1N=C(c2ccccc2Cl)C[C@H]1c1cccs1 ZINC000072413807 191156142 /nfs/dbraw/zinc/15/61/42/191156142.db2.gz NMPWPLMITBJJAG-LBPRGKRZSA-N 0 0 321.858 3.796 10 0 DHAERN Cc1ccccc1NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000072450914 191169854 /nfs/dbraw/zinc/16/98/54/191169854.db2.gz AGVNJTHSPXQGNX-UHFFFAOYSA-N 0 0 322.339 3.742 10 0 DHAERN O=C(c1ccccc1Cl)N1CCCn2c3ccccc3nc21 ZINC000072465424 191173651 /nfs/dbraw/zinc/17/36/51/191173651.db2.gz UGDIMTRZPJFAAX-UHFFFAOYSA-N 0 0 311.772 3.740 10 0 DHAERN Cc1nn2cc3c(nc2c1-c1ccccc1)CC(C)(C)CC3=O ZINC000072464041 191173942 /nfs/dbraw/zinc/17/39/42/191173942.db2.gz FMXVWJKCSIMZPR-UHFFFAOYSA-N 0 0 305.381 3.860 10 0 DHAERN Cc1nn2cc3c(nc2c1-c1cccc(Cl)c1)CCCC3=O ZINC000072464081 191174692 /nfs/dbraw/zinc/17/46/92/191174692.db2.gz ZUBRADLEHUSNFB-UHFFFAOYSA-N 0 0 311.772 3.877 10 0 DHAERN Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)C(C)C ZINC000072498585 191184130 /nfs/dbraw/zinc/18/41/30/191184130.db2.gz MQTHFAHGXJWYEY-LBPRGKRZSA-N 0 0 316.401 3.645 10 0 DHAERN CC(=O)c1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000072850410 191238026 /nfs/dbraw/zinc/23/80/26/191238026.db2.gz ONORDBUXSZPNPL-NEPJUHHUSA-N 0 0 313.319 3.740 10 0 DHAERN COc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1OC ZINC000000430522 180788534 /nfs/dbraw/zinc/78/85/34/180788534.db2.gz LJPKWMDEVQOSQD-GXDHUFHOSA-N 0 0 315.369 3.580 10 0 DHAERN Clc1ccc(C2=NN[C@H](c3ccc4c(c3)OCCO4)C2)cc1 ZINC000073169933 191287876 /nfs/dbraw/zinc/28/78/76/191287876.db2.gz KBKLDEUOBGTCCR-HNNXBMFYSA-N 0 0 314.772 3.550 10 0 DHAERN Nc1nc(-c2ccccc2OC(F)F)c(Br)s1 ZINC000073711106 191345230 /nfs/dbraw/zinc/34/52/30/191345230.db2.gz RDDHMODKQGILEP-UHFFFAOYSA-N 0 0 321.146 3.756 10 0 DHAERN CC(C)[C@@H]1COC(c2cccn2Cc2ccccc2Cl)=N1 ZINC000004970689 181181233 /nfs/dbraw/zinc/18/12/33/181181233.db2.gz PFNJEHBNLBUBKE-HNNXBMFYSA-N 0 0 302.805 3.991 10 0 DHAERN Cc1ccc(CN(Cc2ccco2)C(=O)N[C@H]2C[C@H]2C)s1 ZINC000075981330 191547199 /nfs/dbraw/zinc/54/71/99/191547199.db2.gz GUCZRDRENDIKRB-ABAIWWIYSA-N 0 0 304.415 3.770 10 0 DHAERN CCOc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1 ZINC000005396301 181238568 /nfs/dbraw/zinc/23/85/68/181238568.db2.gz UGMUTBDXUFKWKS-UHFFFAOYSA-N 0 0 320.392 3.666 10 0 DHAERN CCO[C@@H](C(=O)c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000005335507 181230890 /nfs/dbraw/zinc/23/08/90/181230890.db2.gz XGDJUIWMIKCXJN-GOSISDBHSA-N 0 0 300.354 3.664 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@@H]1CSCc1ccccn1 ZINC000085333782 192491703 /nfs/dbraw/zinc/49/17/03/192491703.db2.gz VEYPWQAGZUXEHZ-CQSZACIVSA-N 0 0 308.447 3.714 10 0 DHAERN O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccccc1F ZINC000005603660 181262878 /nfs/dbraw/zinc/26/28/78/181262878.db2.gz UVPSMNHSKLIHEZ-CQSZACIVSA-N 0 0 311.278 3.729 10 0 DHAERN Cc1ccc(N2C(=O)c3ccccc3C2=O)c(Br)c1 ZINC000005744451 181280081 /nfs/dbraw/zinc/28/00/81/181280081.db2.gz SMFOBRUFHDAKFH-UHFFFAOYSA-N 0 0 316.154 3.558 10 0 DHAERN CC[C@@H](C)Oc1cc(=O)[nH]c(Sc2ccccc2Cl)n1 ZINC000005884720 181292860 /nfs/dbraw/zinc/29/28/60/181292860.db2.gz DOFUBPSBMDJPNQ-SECBINFHSA-N 0 0 310.806 3.752 10 0 DHAERN Nc1nc(N)c2cc(CNc3cccc4ccccc43)ccc2n1 ZINC000005940023 181298481 /nfs/dbraw/zinc/29/84/81/181298481.db2.gz OIWLBXVOEQWTCG-UHFFFAOYSA-N 0 0 315.380 3.560 10 0 DHAERN O=C(C1C[C@H]2CCC[C@@H](C1)C21SCCS1)N1CCCC1 ZINC000005975873 181303039 /nfs/dbraw/zinc/30/30/39/181303039.db2.gz ORNGLLVDRKXNLQ-AGUYFDCRSA-N 0 0 311.516 3.611 10 0 DHAERN COc1ccc(-c2nc3c(cc(N)cc3Br)[nH]2)cc1 ZINC000006296978 181326973 /nfs/dbraw/zinc/32/69/73/181326973.db2.gz ANFBOBHCYXJNHW-UHFFFAOYSA-N 0 0 318.174 3.583 10 0 DHAERN Cc1ccc(C=CC(=O)NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000006478646 181344384 /nfs/dbraw/zinc/34/43/84/181344384.db2.gz KKGDELMLQQCBBJ-LHNRBYRGSA-N 0 0 324.449 3.760 10 0 DHAERN C[C@H](NC(=O)N[C@H](c1ccccc1)C(C)(C)C)[C@@H]1CCCO1 ZINC000195647505 201420574 /nfs/dbraw/zinc/42/05/74/201420574.db2.gz WCXYTDSFMBKKCZ-CWRNSKLLSA-N 0 0 304.434 3.641 10 0 DHAERN Cc1ccc(C2=NN[C@@H](c3coc4ccccc4c3=O)C2)cc1 ZINC000211710295 201441464 /nfs/dbraw/zinc/44/14/64/201441464.db2.gz NCBSYKAGAQATJX-QGZVFWFLSA-N 0 0 304.349 3.540 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CNc3ccccc32)C1 ZINC000091303105 193035141 /nfs/dbraw/zinc/03/51/41/193035141.db2.gz UVKWHITVTJOVCV-ZFWWWQNUSA-N 0 0 302.418 3.843 10 0 DHAERN F[C@]1(Cl)Oc2ccc(Br)cc2O[C@]1(F)Cl ZINC000091252151 193027326 /nfs/dbraw/zinc/02/73/26/193027326.db2.gz DEVDQAXVEGUCIT-YUMQZZPRSA-N 0 0 319.916 3.945 10 0 DHAERN CN1CCc2sc(-c3ccc(Br)cc3)nc2C1 ZINC000091691902 193093371 /nfs/dbraw/zinc/09/33/71/193093371.db2.gz CICWSJWUYLDXPV-UHFFFAOYSA-N 0 0 309.232 3.561 10 0 DHAERN CCOc1cc(CN2CCCC[C@@H]2c2cn[nH]c2)ccc1OC ZINC000093438153 193251594 /nfs/dbraw/zinc/25/15/94/193251594.db2.gz NRIADAWNGRAYJO-MRXNPFEDSA-N 0 0 315.417 3.544 10 0 DHAERN CC(C)(C)OC(=O)Nc1c(Cl)cncc1Br ZINC000095930365 193450127 /nfs/dbraw/zinc/45/01/27/193450127.db2.gz DORABQDENCTVOJ-UHFFFAOYSA-N 0 0 307.575 3.845 10 0 DHAERN CC[C@H](C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000008218907 181536386 /nfs/dbraw/zinc/53/63/86/181536386.db2.gz VZDSFENTWUTORD-DZGCQCFKSA-N 0 0 316.445 3.786 10 0 DHAERN COC(=O)c1cnc(-c2ccccc2)nc1-c1ccccc1F ZINC000008700200 181573575 /nfs/dbraw/zinc/57/35/75/181573575.db2.gz UUYPZGABRASWJV-UHFFFAOYSA-N 0 0 308.312 3.736 10 0 DHAERN CCSc1ccccc1C(=O)Nc1onc2c1CCCC2 ZINC000008976647 181594153 /nfs/dbraw/zinc/59/41/53/181594153.db2.gz NUTAQHOXYNVPCH-UHFFFAOYSA-N 0 0 302.399 3.918 10 0 DHAERN CC(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000009173323 181605579 /nfs/dbraw/zinc/60/55/79/181605579.db2.gz HMCBVLUWULFDAU-HNNXBMFYSA-N 0 0 302.805 3.639 10 0 DHAERN CC(=O)N/C(=C\c1ccccc1C)C(=O)Nc1c(C)cccc1C ZINC000014023927 181920934 /nfs/dbraw/zinc/92/09/34/181920934.db2.gz ZJSQZQJKLQBJIG-PDGQHHTCSA-N 0 0 322.408 3.728 10 0 DHAERN Cc1ccc2onc(CC(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)c2c1 ZINC000015675066 182011940 /nfs/dbraw/zinc/01/19/40/182011940.db2.gz FQNKLEVHMBPQCF-UMVBOHGHSA-N 0 0 300.402 3.620 10 0 DHAERN Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1ccc[nH]c1=O ZINC000016045175 182030671 /nfs/dbraw/zinc/03/06/71/182030671.db2.gz VAQOSYPRRSTZOD-UHFFFAOYSA-N 0 0 313.397 3.646 10 0 DHAERN Cc1cccc(-c2nnc(CN3CCc4ccccc4C3)o2)c1 ZINC000016332779 182040151 /nfs/dbraw/zinc/04/01/51/182040151.db2.gz YCBUDDJDHVQAOM-UHFFFAOYSA-N 0 0 305.381 3.603 10 0 DHAERN Cc1ccc(NC(=O)CSc2ccc(N)cc2)cc1Cl ZINC000017031460 182069140 /nfs/dbraw/zinc/06/91/40/182069140.db2.gz MDLZMJKLCGOVSR-UHFFFAOYSA-N 0 0 306.818 3.961 10 0 DHAERN Nc1ccc(SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000017032209 182069955 /nfs/dbraw/zinc/06/99/55/182069955.db2.gz HQVLZWMZNFDTOU-UHFFFAOYSA-N 0 0 310.781 3.792 10 0 DHAERN Nc1ccc(SCC(=O)Nc2nc3ccccc3s2)cc1 ZINC000017053493 182071457 /nfs/dbraw/zinc/07/14/57/182071457.db2.gz RERPPVQPEIOVCV-UHFFFAOYSA-N 0 0 315.423 3.609 10 0 DHAERN COc1ccc(OCc2ccc(Br)cc2)c(N)c1 ZINC000019278984 182112002 /nfs/dbraw/zinc/11/20/02/182112002.db2.gz CJKYELHVWHIMDR-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN Cc1ccsc1Cn1ncc2cc(Br)cnc21 ZINC000019435351 182123107 /nfs/dbraw/zinc/12/31/07/182123107.db2.gz MLWQGWUOULPIOT-UHFFFAOYSA-N 0 0 308.204 3.612 10 0 DHAERN Oc1ccc2c(c1)OC[C@@H]2Nc1ccc(Br)cc1F ZINC000019908040 182163340 /nfs/dbraw/zinc/16/33/40/182163340.db2.gz JXCPTFBHSDKDFC-ZDUSSCGKSA-N 0 0 324.149 3.839 10 0 DHAERN COC(=O)c1sc2ncnc(Nc3ccccc3C)c2c1C ZINC000019959646 182170379 /nfs/dbraw/zinc/17/03/79/182170379.db2.gz NDIAJZDPTHMQDM-UHFFFAOYSA-N 0 0 313.382 3.838 10 0 DHAERN CCc1cc2c(ncnc2Nc2cccc(NC(C)=O)c2)s1 ZINC000019974712 182172539 /nfs/dbraw/zinc/17/25/39/182172539.db2.gz RCODFBPTEFTNNU-UHFFFAOYSA-N 0 0 312.398 3.956 10 0 DHAERN Nc1ccc2nc(NC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)sc2c1 ZINC000019978551 182173004 /nfs/dbraw/zinc/17/30/04/182173004.db2.gz BQWCOUNUEBSDIU-HBNTYKKESA-N 0 0 301.415 3.643 10 0 DHAERN Cc1cc(N)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 ZINC000019986476 182173504 /nfs/dbraw/zinc/17/35/04/182173504.db2.gz FPQMIDSZXMFFAN-LLVKDONJSA-N 0 0 304.777 3.637 10 0 DHAERN COc1ccc(CCC(=O)Nc2ccc(N)cc2Cl)cc1 ZINC000019986222 182173712 /nfs/dbraw/zinc/17/37/12/182173712.db2.gz SYQNAARAQWEXBT-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN NC(=S)CCN(C(=O)c1ccccc1Cl)c1ccccc1 ZINC000020008023 182177244 /nfs/dbraw/zinc/17/72/44/182177244.db2.gz LUJRFBGBNXJNLX-UHFFFAOYSA-N 0 0 318.829 3.663 10 0 DHAERN CCc1cc2c(nc(C)n(Cc3ccc(F)cc3)c2=O)s1 ZINC000020158417 182194132 /nfs/dbraw/zinc/19/41/32/182194132.db2.gz KBMGWTFYBVKABV-UHFFFAOYSA-N 0 0 302.374 3.516 10 0 DHAERN C[C@@H](Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCC1 ZINC000020307892 182205296 /nfs/dbraw/zinc/20/52/96/182205296.db2.gz HXYAUADTCQGGHT-SECBINFHSA-N 0 0 301.217 3.853 10 0 DHAERN Cc1ccc(C(=O)Nc2nc(-c3cccc(N)c3)cs2)cc1 ZINC000020336186 182209195 /nfs/dbraw/zinc/20/91/95/182209195.db2.gz GFNCBDQJBVGMCV-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN COc1ccc(-c2nnc(Cl)c3ccccc32)cc1OC ZINC000020381186 182212852 /nfs/dbraw/zinc/21/28/52/182212852.db2.gz QTIWNFIMJQNGNQ-UHFFFAOYSA-N 0 0 300.745 3.967 10 0 DHAERN Cc1cc(NC2N=NC(=S)S2)ccc1Br ZINC000020581622 182234905 /nfs/dbraw/zinc/23/49/05/182234905.db2.gz PTTDAAMMQGGOKM-UHFFFAOYSA-N 0 0 302.222 3.641 10 0 DHAERN Fc1cccc(CN2CCc3[nH]nc(-c4ccccc4)c3C2)c1 ZINC000020999760 182258692 /nfs/dbraw/zinc/25/86/92/182258692.db2.gz AFTZEGFCWDJKFG-UHFFFAOYSA-N 0 0 307.372 3.774 10 0 DHAERN CCOC(=O)c1cnc2ccc(OC(F)(F)F)cc2c1Cl ZINC000021013326 182259840 /nfs/dbraw/zinc/25/98/40/182259840.db2.gz MCYOAKSELHWBGV-UHFFFAOYSA-N 0 0 319.666 3.964 10 0 DHAERN C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)C[C@H](C)O1 ZINC000021898072 182297273 /nfs/dbraw/zinc/29/72/73/182297273.db2.gz BXYWHTVTVNIIQX-RYUDHWBXSA-N 0 0 319.401 3.804 10 0 DHAERN CCS[C@@H]1CC[C@@H](Nc2nc(Cl)c(C(=O)OC)s2)C1 ZINC000230923217 335027890 /nfs/dbraw/zinc/02/78/90/335027890.db2.gz WZDFRECZMZTQDC-HTQZYQBOSA-N 0 0 320.867 3.669 10 0 DHAERN Cc1nc(C(=O)Nc2cc(C)cc(C)c2)nn1-c1ccccc1C ZINC000034910632 182743312 /nfs/dbraw/zinc/74/33/12/182743312.db2.gz FXBNUVNZFRCNTL-UHFFFAOYSA-N 0 0 320.396 3.753 10 0 DHAERN CCCn1cc(Br)cc1C(=O)NCc1ccccc1 ZINC000036858240 182849194 /nfs/dbraw/zinc/84/91/94/182849194.db2.gz PYVDXXDSZMLVQY-UHFFFAOYSA-N 0 0 321.218 3.591 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1cc(Br)cn1C(C)C ZINC000036860278 182849236 /nfs/dbraw/zinc/84/92/36/182849236.db2.gz XZGCLHAPKYZODW-SNVBAGLBSA-N 0 0 301.228 3.606 10 0 DHAERN CCOc1cc(Br)c(C(=O)CC)cc1OCC ZINC000036926262 182853230 /nfs/dbraw/zinc/85/32/30/182853230.db2.gz FSGNQKCQZXSHTG-UHFFFAOYSA-N 0 0 301.180 3.839 10 0 DHAERN Cc1cc(Br)ccc1NCC(=O)OC(C)(C)C ZINC000037394296 182887169 /nfs/dbraw/zinc/88/71/69/182887169.db2.gz YWJGIWANKGPSCG-UHFFFAOYSA-N 0 0 300.196 3.511 10 0 DHAERN COC(=O)[C@](C)(NC1CCCC1)c1cc(Cl)ccc1Cl ZINC000037970019 182945103 /nfs/dbraw/zinc/94/51/03/182945103.db2.gz IIAPTASTOOENCN-OAHLLOKOSA-N 0 0 316.228 3.914 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)nc(Cl)c1 ZINC000037976521 182948049 /nfs/dbraw/zinc/94/80/49/182948049.db2.gz CPIAZJTXRDWJTO-NSHDSACASA-N 0 0 323.179 3.642 10 0 DHAERN CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(Cl)ccn1 ZINC000037983700 182952998 /nfs/dbraw/zinc/95/29/98/182952998.db2.gz UUSPJJDMXWFITA-UHFFFAOYSA-N 0 0 310.731 3.676 10 0 DHAERN COc1ccc(C[C@@H](O)c2ccc(Br)cc2)cc1 ZINC000040243358 183049392 /nfs/dbraw/zinc/04/93/92/183049392.db2.gz XQILEBDEVBXTKC-OAHLLOKOSA-N 0 0 307.187 3.734 10 0 DHAERN COC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000040250618 183049462 /nfs/dbraw/zinc/04/94/62/183049462.db2.gz ZVMWNHXOEDDGAC-UHFFFAOYSA-N 0 0 300.745 3.530 10 0 DHAERN COCc1nc2ccccc2n1CCOc1c(C)cccc1C ZINC000040232000 183048582 /nfs/dbraw/zinc/04/85/82/183048582.db2.gz IAONRBNUQZEWQO-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN COCc1nc2ccccc2n1CCOc1cc(C)cc(C)c1 ZINC000040232012 183048708 /nfs/dbraw/zinc/04/87/08/183048708.db2.gz FPUXIJGUEKXRFT-UHFFFAOYSA-N 0 0 310.397 3.879 10 0 DHAERN CCCN(CCC)C(=O)Cn1c2ccccc2nc1C(C)C ZINC000040231373 183048753 /nfs/dbraw/zinc/04/87/53/183048753.db2.gz UALKOPLLHJVYQV-UHFFFAOYSA-N 0 0 301.434 3.808 10 0 DHAERN CCc1ccc(OCCn2c(COC)nc3ccccc32)cc1 ZINC000040232019 183048890 /nfs/dbraw/zinc/04/88/90/183048890.db2.gz MILRNKKNFZJHIB-UHFFFAOYSA-N 0 0 310.397 3.824 10 0 DHAERN Cc1nc2cc(C)c(C)cc2n1CC(=O)Nc1cccc(F)c1 ZINC000040295548 183052644 /nfs/dbraw/zinc/05/26/44/183052644.db2.gz URYBYGOWUHRZKK-UHFFFAOYSA-N 0 0 311.360 3.739 10 0 DHAERN CCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C ZINC000040295720 183052996 /nfs/dbraw/zinc/05/29/96/183052996.db2.gz OBMCNUJPLABVPP-UHFFFAOYSA-N 0 0 307.397 3.936 10 0 DHAERN OCCCn1c(COc2ccccc2)nc2cc(Cl)ccc21 ZINC000040402439 183061402 /nfs/dbraw/zinc/06/14/02/183061402.db2.gz FFSKNMKHODYKGR-UHFFFAOYSA-N 0 0 316.788 3.651 10 0 DHAERN COCCn1c(COc2ccccc2)nc2ccc(Cl)cc21 ZINC000040404745 183062095 /nfs/dbraw/zinc/06/20/95/183062095.db2.gz DSSBBDBEAJAJFO-UHFFFAOYSA-N 0 0 316.788 3.915 10 0 DHAERN COc1ccc(CCn2cnc3cc(Cl)ccc32)cc1OC ZINC000040406874 183062116 /nfs/dbraw/zinc/06/21/16/183062116.db2.gz HOJLKVGBISCINN-UHFFFAOYSA-N 0 0 316.788 3.950 10 0 DHAERN CCN(c1ccccc1)c1ncnc(NC2CCCCC2)c1N ZINC000040679458 183116199 /nfs/dbraw/zinc/11/61/99/183116199.db2.gz CVAUFZAOOAOFJV-UHFFFAOYSA-N 0 0 311.433 3.961 10 0 DHAERN CCN(c1ccccc1)c1ncnc(Nc2ncccc2C)c1N ZINC000040679570 183116674 /nfs/dbraw/zinc/11/66/74/183116674.db2.gz HILHXBBGOSYMAF-UHFFFAOYSA-N 0 0 320.400 3.664 10 0 DHAERN Cc1ccc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)nc1 ZINC000040681588 183116971 /nfs/dbraw/zinc/11/69/71/183116971.db2.gz JRBJRXFSKUVPSM-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN CCc1ccccc1Nc1ncnc(Nc2cc(C)ccn2)c1N ZINC000040688164 183118117 /nfs/dbraw/zinc/11/81/17/183118117.db2.gz CRAPHSOHLPRMOI-UHFFFAOYSA-N 0 0 320.400 3.812 10 0 DHAERN Cc1ccc(Nc2ncnc(N3CCCCCC3)c2N)cc1C ZINC000040702711 183120304 /nfs/dbraw/zinc/12/03/04/183120304.db2.gz UGNMSAJSDXSZAI-UHFFFAOYSA-N 0 0 311.433 3.800 10 0 DHAERN CC(C)CCNc1ncnc(Nc2ccc(Cl)cc2)c1N ZINC000040782185 183133995 /nfs/dbraw/zinc/13/39/95/183133995.db2.gz FBGYAFBRZJDGGY-UHFFFAOYSA-N 0 0 305.813 3.914 10 0 DHAERN O=C(Nc1ccccc1O)c1cccc2c1C(=O)c1ccccc1-2 ZINC000040834807 183140131 /nfs/dbraw/zinc/14/01/31/183140131.db2.gz FJIRXABIHQZMIS-UHFFFAOYSA-N 0 0 315.328 3.856 10 0 DHAERN Cc1ccc(Oc2ncnc(NNc3ccccc3)c2N)cc1 ZINC000040757560 183129820 /nfs/dbraw/zinc/12/98/20/183129820.db2.gz VMVYURYADNMLKG-UHFFFAOYSA-N 0 0 307.357 3.599 10 0 DHAERN CCc1c(C(=O)OC)sc2nc(-c3ccc(F)cc3)cn21 ZINC000041005733 183155900 /nfs/dbraw/zinc/15/59/00/183155900.db2.gz OFXJXDJQPUPAPU-UHFFFAOYSA-N 0 0 304.346 3.551 10 0 DHAERN COc1ccc2nccc(NC(=O)/C=C/c3ccccc3)c2c1 ZINC000041058020 183160727 /nfs/dbraw/zinc/16/07/27/183160727.db2.gz CKJNKRLJIQBSPB-JXMROGBWSA-N 0 0 304.349 3.895 10 0 DHAERN COc1ccc2nccc(NC(=O)c3ccccc3OC)c2c1 ZINC000041058039 183161046 /nfs/dbraw/zinc/16/10/46/183161046.db2.gz FUVCDTMNYGVCGT-UHFFFAOYSA-N 0 0 308.337 3.504 10 0 DHAERN Cc1nc(NC(=O)COc2c(C)ccc(C)c2C)sc1C ZINC000040870970 183144963 /nfs/dbraw/zinc/14/49/63/183144963.db2.gz DLPYBHXIXKYZQY-UHFFFAOYSA-N 0 0 304.415 3.703 10 0 DHAERN Cc1cc2c(N)c(Br)cnc2cc1Br ZINC000041702450 183217578 /nfs/dbraw/zinc/21/75/78/183217578.db2.gz XARNKEXWCBOCQW-UHFFFAOYSA-N 0 0 315.996 3.650 10 0 DHAERN CC(C)N(CCC(N)=S)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000041624237 183211331 /nfs/dbraw/zinc/21/13/31/183211331.db2.gz SKQORBIVDLFNHQ-UHFFFAOYSA-N 0 0 306.475 3.511 10 0 DHAERN CN(Cc1csc(Br)c1)c1ccc(F)cc1N ZINC000042361895 183258213 /nfs/dbraw/zinc/25/82/13/183258213.db2.gz FHWIKCKBJWWUAO-UHFFFAOYSA-N 0 0 315.211 3.868 10 0 DHAERN C[C@@H](Cc1ccsc1)Nc1ncc(Br)cc1N ZINC000042599410 183289377 /nfs/dbraw/zinc/28/93/77/183289377.db2.gz RAZXCXZIYWQBMS-QMMMGPOBSA-N 0 0 312.236 3.531 10 0 DHAERN Cc1cccc(OCCNc2ccc(Br)cc2N)c1 ZINC000042895410 183317800 /nfs/dbraw/zinc/31/78/00/183317800.db2.gz QJAHOCHIURJHHX-UHFFFAOYSA-N 0 0 321.218 3.831 10 0 DHAERN CCN(CC(=O)c1cc(Cl)sc1Cl)[C@@H](C)COC ZINC000042775377 183307928 /nfs/dbraw/zinc/30/79/28/183307928.db2.gz AMGBCJCRYDCCGW-QMMMGPOBSA-N 0 0 310.246 3.594 10 0 DHAERN Clc1c2c(Br)n[nH]c2ccc1Br ZINC000043220607 183345278 /nfs/dbraw/zinc/34/52/78/183345278.db2.gz RWWFIUNEJUYQOE-UHFFFAOYSA-N 0 0 310.376 3.741 10 0 DHAERN COc1ccc(CC[C@@H](O)C(C)(C)C)cc1Br ZINC000043657679 183377970 /nfs/dbraw/zinc/37/79/70/183377970.db2.gz MMKIPCPOJAZRDO-CYBMUJFWSA-N 0 0 301.224 3.797 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000105029602 194065492 /nfs/dbraw/zinc/06/54/92/194065492.db2.gz NPGUQTDQDNLNQT-DOMZBBRYSA-N 0 0 313.426 3.904 10 0 DHAERN CCCN(CCc1ccccn1)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000105087081 194071916 /nfs/dbraw/zinc/07/19/16/194071916.db2.gz WFHMBAMSJXMLES-HNNXBMFYSA-N 0 0 315.417 3.708 10 0 DHAERN CC(C)c1nc2c(n1C)CCN([C@H](C)c1ccccc1F)C2 ZINC000106373906 194201896 /nfs/dbraw/zinc/20/18/96/194201896.db2.gz SOMCCSQLUGTUTA-CYBMUJFWSA-N 0 0 301.409 3.802 10 0 DHAERN COC[C@H](C)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000053173177 183891028 /nfs/dbraw/zinc/89/10/28/183891028.db2.gz DYQZPEFYAPHBQI-ZETCQYMHSA-N 0 0 312.129 3.915 10 0 DHAERN COC[C@@H](C)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000053173178 183891224 /nfs/dbraw/zinc/89/12/24/183891224.db2.gz DYQZPEFYAPHBQI-SSDOTTSWSA-N 0 0 312.129 3.915 10 0 DHAERN Nc1cccc(-c2nc(-c3ccc(Br)s3)no2)c1 ZINC000053993850 183918584 /nfs/dbraw/zinc/91/85/84/183918584.db2.gz AJUBTDMWLSAXSH-UHFFFAOYSA-N 0 0 322.187 3.810 10 0 DHAERN CCOC(=O)[C@H](C)CSc1cccc(Br)c1 ZINC000055306440 183977948 /nfs/dbraw/zinc/97/79/48/183977948.db2.gz RNBSMSLJUQEBME-SECBINFHSA-N 0 0 303.221 3.740 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(F)c3)n2)cc1 ZINC000057342091 184034538 /nfs/dbraw/zinc/03/45/38/184034538.db2.gz XGGALPJGYCBZIU-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN CC1(C)C(=O)Nc2ccc([C@H](O)c3ccc(Cl)cc3)cc21 ZINC000058089566 184074175 /nfs/dbraw/zinc/07/41/75/184074175.db2.gz VUFNFBSKNSXMPQ-OAHLLOKOSA-N 0 0 301.773 3.651 10 0 DHAERN Cc1cc([C@H](C)NC(=O)N[C@@H]2COc3ccccc32)c(C)s1 ZINC000058576026 184123090 /nfs/dbraw/zinc/12/30/90/184123090.db2.gz AUMVPXOFKQQFJX-XHDPSFHLSA-N 0 0 316.426 3.859 10 0 DHAERN CNC(=O)c1ccc(C)c(N[C@H]2CCCc3sccc32)c1 ZINC000061327404 184168615 /nfs/dbraw/zinc/16/86/15/184168615.db2.gz PAMGYNWVXUUNAL-AWEZNQCLSA-N 0 0 300.427 3.906 10 0 DHAERN Brc1cnc2[nH]c(C3(c4ccccc4)CC3)nc2c1 ZINC000061618305 184179351 /nfs/dbraw/zinc/17/93/51/184179351.db2.gz SSGDNKBHIKUPIO-UHFFFAOYSA-N 0 0 314.186 3.800 10 0 DHAERN CC(=O)c1ccc(Sc2cnn(C)c2)c(Br)c1 ZINC000061696932 184183869 /nfs/dbraw/zinc/18/38/69/184183869.db2.gz AOIMBFKSODWJJJ-UHFFFAOYSA-N 0 0 311.204 3.536 10 0 DHAERN COc1ccc(Br)c([C@H](O)Cc2ccsc2)c1 ZINC000062137559 184208021 /nfs/dbraw/zinc/20/80/21/184208021.db2.gz GUTBWRNMRVBFAM-CYBMUJFWSA-N 0 0 313.216 3.795 10 0 DHAERN O[C@H](c1ccc2c(c1)COC2)c1ccc(F)cc1Br ZINC000062334810 184230892 /nfs/dbraw/zinc/23/08/92/184230892.db2.gz ZZCGJNLMRRUDFH-OAHLLOKOSA-N 0 0 323.161 3.700 10 0 DHAERN Oc1ccc(CNc2ccc3c(c2)CCO3)cc1Br ZINC000062702618 184248332 /nfs/dbraw/zinc/24/83/32/184248332.db2.gz TUXVPLVCKLGUFF-UHFFFAOYSA-N 0 0 320.186 3.702 10 0 DHAERN Cc1ccccc1C(=O)N1CCc2cn(C)c3cccc(c23)C1 ZINC000065148810 184311516 /nfs/dbraw/zinc/31/15/16/184311516.db2.gz VTAIPNPIBXOSHJ-UHFFFAOYSA-N 0 0 304.393 3.685 10 0 DHAERN C[C@H](NC(=O)c1cc(-c2ccncc2)cn1C)c1ccc(F)cc1 ZINC000065209747 184314489 /nfs/dbraw/zinc/31/44/89/184314489.db2.gz LPXZPFQSKOEFRW-ZDUSSCGKSA-N 0 0 323.371 3.717 10 0 DHAERN Cc1ccc(-c2cc3n(n2)CCCN(Cc2cccnc2)C3)cc1 ZINC000065270459 184320444 /nfs/dbraw/zinc/32/04/44/184320444.db2.gz PDTUGGBXZKYDJG-UHFFFAOYSA-N 0 0 318.424 3.659 10 0 DHAERN Cc1ccc2[nH]c(Sc3ncc(Br)cn3)nc2c1 ZINC000067119995 184450559 /nfs/dbraw/zinc/45/05/59/184450559.db2.gz QDRONHRKWNDBLH-UHFFFAOYSA-N 0 0 321.203 3.575 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@@H]2CC[C@H](C)C2)cc1OC ZINC000119645552 195008215 /nfs/dbraw/zinc/00/82/15/195008215.db2.gz YEBKWQMJBQIVAX-MELADBBJSA-N 0 0 305.418 3.707 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)c4ccccc34)CC[C@H]2O1 ZINC000249688747 257106971 /nfs/dbraw/zinc/10/69/71/257106971.db2.gz IPCUORGAAQDZFD-SNUQEOBHSA-N 0 0 313.372 3.618 10 0 DHAERN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nccs1 ZINC000038926942 257129501 /nfs/dbraw/zinc/12/95/01/257129501.db2.gz XKQIMMSGBAFRMN-CYBMUJFWSA-N 0 0 304.415 3.952 10 0 DHAERN COc1ccc(COc2cccc(Br)c2C=O)cc1 ZINC000394838477 257103370 /nfs/dbraw/zinc/10/33/70/257103370.db2.gz ISLJXYKCQSMITD-UHFFFAOYSA-N 0 0 321.170 3.849 10 0 DHAERN Cc1nc(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)sc1C ZINC000151320286 196664758 /nfs/dbraw/zinc/66/47/58/196664758.db2.gz ZQSWMCGXLDBXGI-CABCVRRESA-N 0 0 306.475 3.635 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cscc2Br)o1 ZINC000285268857 131152610 /nfs/dbraw/zinc/15/26/10/131152610.db2.gz SUHQFKZJHHYFBZ-MRVPVSSYSA-N 0 0 314.204 3.903 10 0 DHAERN Nc1ccc2c(c1)N(C(=O)c1ccccc1Cl)CCS2 ZINC000038051202 134705277 /nfs/dbraw/zinc/70/52/77/134705277.db2.gz SCAWDWPLHUPJGU-UHFFFAOYSA-N 0 0 304.802 3.675 10 0 DHAERN C[C@H](c1ccncc1)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000129205245 196028053 /nfs/dbraw/zinc/02/80/53/196028053.db2.gz IZGOXDBOYVYMIT-KDOFPFPSSA-N 0 0 309.413 3.862 10 0 DHAERN C[C@@H](c1ccncc1)N(C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000129205017 196028103 /nfs/dbraw/zinc/02/81/03/196028103.db2.gz IZGOXDBOYVYMIT-KSSFIOAISA-N 0 0 309.413 3.862 10 0 DHAERN Nc1cc([C@@H]2CCN(Cc3ccccc3)c3ccccc32)[nH]n1 ZINC000616674802 435366471 /nfs/dbraw/zinc/36/64/71/435366471.db2.gz HVVHPXCGOGSEEP-OAHLLOKOSA-N 0 0 304.397 3.534 10 0 DHAERN NC(=O)/C=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409416284 332838381 /nfs/dbraw/zinc/83/83/81/332838381.db2.gz ZDKCWYLYPCSQFK-YWEYNIOJSA-N 0 0 305.736 3.557 10 0 DHAERN CC(C)Cc1ccc([C@H](C)NCc2ncnn2CC(C)C)cc1 ZINC000183092791 331521174 /nfs/dbraw/zinc/52/11/74/331521174.db2.gz TZJVWANECZNXII-INIZCTEOSA-N 0 0 314.477 3.983 10 0 DHAERN C[C@@H](N[C@@H](C)c1nncn1C)c1c(Cl)ccc(F)c1Cl ZINC000037017247 331533119 /nfs/dbraw/zinc/53/31/19/331533119.db2.gz KWRUHAIGDYCRAL-SFYZADRCSA-N 0 0 317.195 3.673 10 0 DHAERN Cc1ccc(S(=O)(=O)C[C@H](C)Nc2ccccc2C)cc1 ZINC000186236354 332918702 /nfs/dbraw/zinc/91/87/02/332918702.db2.gz BXJKZCKANOIKRA-HNNXBMFYSA-N 0 0 303.427 3.578 10 0 DHAERN COCC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)CC1 ZINC000076999589 331957293 /nfs/dbraw/zinc/95/72/93/331957293.db2.gz BBULYJVWCYCRTF-OALUTQOASA-N 0 0 315.457 3.799 10 0 DHAERN Cc1cc(CCCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(C)s1 ZINC000084528999 332003705 /nfs/dbraw/zinc/00/37/05/332003705.db2.gz CUTAFIHCBZXARD-IRXDYDNUSA-N 0 0 321.486 3.858 10 0 DHAERN O=C(c1cccc(-c2ccoc2)c1)N1CCO[C@H]2CCCC[C@H]21 ZINC000089760083 332076592 /nfs/dbraw/zinc/07/65/92/332076592.db2.gz SLRCZWFPIJRXSD-MSOLQXFVSA-N 0 0 311.381 3.730 10 0 DHAERN Fc1cc(CN2CCO[C@@H]3CCCC[C@@H]32)ccc1OC(F)F ZINC000091978704 332098911 /nfs/dbraw/zinc/09/89/11/332098911.db2.gz PZESPBWGPVAOQI-DZGCQCFKSA-N 0 0 315.335 3.571 10 0 DHAERN C[C@H](CC(=O)N1[C@H](C)COC[C@@H]1C)Cc1ccc(Cl)cc1 ZINC000092941831 332132355 /nfs/dbraw/zinc/13/23/55/332132355.db2.gz IAKORYAHDMQPKX-MELADBBJSA-N 0 0 309.837 3.545 10 0 DHAERN COC(=O)c1sc(Nc2ccc(OC)c(C)c2)nc1Cl ZINC000049533179 332315984 /nfs/dbraw/zinc/31/59/84/332315984.db2.gz MADZPCIEMMIKKJ-UHFFFAOYSA-N 0 0 312.778 3.644 10 0 DHAERN CC[C@@H]1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C1 ZINC000150890091 332450478 /nfs/dbraw/zinc/45/04/78/332450478.db2.gz KUVCBBCTRDKISJ-UKRRQHHQSA-N 0 0 302.418 3.730 10 0 DHAERN O=C(N[C@@H]1CCCC[C@H]1CO)C1CCC(c2ccccc2)CC1 ZINC000151010699 332476975 /nfs/dbraw/zinc/47/69/75/332476975.db2.gz XQMBRBLKFLUSBK-WZOJCFFYSA-N 0 0 315.457 3.628 10 0 DHAERN O=C(NCC1(C2CC2)CC1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000151491771 332581384 /nfs/dbraw/zinc/58/13/84/332581384.db2.gz GRRKEHGWWIEQNG-RYUDHWBXSA-N 0 0 304.356 3.597 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000171730519 333053300 /nfs/dbraw/zinc/05/33/00/333053300.db2.gz CPIRBXSVWOUXAD-GXTWGEPZSA-N 0 0 303.431 3.576 10 0 DHAERN C[C@H](CC(=O)N[C@H](C)c1cccs1)C(=O)c1cccc(F)c1 ZINC000173660116 333076720 /nfs/dbraw/zinc/07/67/20/333076720.db2.gz IXCOYIWQMZIKHT-VXGBXAGGSA-N 0 0 319.401 3.974 10 0 DHAERN Cc1nc(C(=O)N2CCCC[C@@H]2c2nccs2)c(C)s1 ZINC000178520068 333140231 /nfs/dbraw/zinc/14/02/31/333140231.db2.gz NOAHVSWZJRPSSL-LLVKDONJSA-N 0 0 307.444 3.584 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3cccc(C)c3Cl)C2)c1 ZINC000179072897 333146250 /nfs/dbraw/zinc/14/62/50/333146250.db2.gz SYNKYRYQUFMIBZ-AWEZNQCLSA-N 0 0 317.820 3.631 10 0 DHAERN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000187828830 333150084 /nfs/dbraw/zinc/15/00/84/333150084.db2.gz ZBBOQVKNOVQERF-HEHGZKQESA-N 0 0 309.837 3.545 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)c1cc(C(C)C)n(C)n1)[C@H](C)C2 ZINC000182189725 333182991 /nfs/dbraw/zinc/18/29/91/333182991.db2.gz HDVQCTQRZJXXPY-FZKQIMNGSA-N 0 0 311.429 3.515 10 0 DHAERN C[C@H](Nc1ncnc2nn(C)cc21)c1cc(Cl)ccc1Cl ZINC000186001368 333372077 /nfs/dbraw/zinc/37/20/77/333372077.db2.gz UXIYRFTWTWZLNU-QMMMGPOBSA-N 0 0 322.199 3.843 10 0 DHAERN Fc1cccc(N[C@@H]2CCOc3ccc(Br)cc32)n1 ZINC000057140080 333396485 /nfs/dbraw/zinc/39/64/85/333396485.db2.gz WIBZHUFXYOXVMV-LLVKDONJSA-N 0 0 323.165 3.919 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCc1cccs1)[C@H](C)C2 ZINC000182412532 333501354 /nfs/dbraw/zinc/50/13/54/333501354.db2.gz RQEYJAJOAWTDTO-MLGOLLRUSA-N 0 0 300.427 3.789 10 0 DHAERN CC(C)[C@H](NCc1cc(C(N)=O)co1)c1ccccc1Cl ZINC000187729625 334269951 /nfs/dbraw/zinc/26/99/51/334269951.db2.gz LXMXHSKPNGTGFN-HNNXBMFYSA-N 0 0 306.793 3.519 10 0 DHAERN C[C@@H](NC(=O)N[C@@H]1COc2ccccc21)c1cc2ccccc2o1 ZINC000187934676 334489903 /nfs/dbraw/zinc/48/99/03/334489903.db2.gz CTIWKTIGHPXFQF-IUODEOHRSA-N 0 0 322.364 3.927 10 0 DHAERN Clc1ccc2c(c1Cl)CC[C@@H]2N[C@H]1CCCn2ncnc21 ZINC000164812973 334668936 /nfs/dbraw/zinc/66/89/36/334668936.db2.gz IVMBBAAWJACMGY-STQMWFEESA-N 0 0 323.227 3.697 10 0 DHAERN CC(=O)N(c1nc(CN[C@H]2C[C@H]2C)cs1)c1ccc(C)cc1 ZINC000113335661 335325014 /nfs/dbraw/zinc/32/50/14/335325014.db2.gz YAPUZOPMEGDSES-WBMJQRKESA-N 0 0 315.442 3.634 10 0 DHAERN O=C(c1cc(Cl)ccc1Br)N1C[C@@H]2CCC[C@@H]21 ZINC000349332718 335664063 /nfs/dbraw/zinc/66/40/63/335664063.db2.gz OMLARALKBXSGTL-UFBFGSQYSA-N 0 0 314.610 3.727 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)c1 ZINC000124769671 335760509 /nfs/dbraw/zinc/76/05/09/335760509.db2.gz XWXGCOFYYSVCQI-INIZCTEOSA-N 0 0 324.852 3.774 10 0 DHAERN Cc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC000116209063 335880717 /nfs/dbraw/zinc/88/07/17/335880717.db2.gz NPNMFJGALHWDDQ-JKSUJKDBSA-N 0 0 315.363 3.736 10 0 DHAERN CO[C@](C)(C(=O)N[C@@H](C)c1ccccc1C)c1ccccc1F ZINC000192076805 336017047 /nfs/dbraw/zinc/01/70/47/336017047.db2.gz LJKXBEVESUKDFZ-LIRRHRJNSA-N 0 0 315.388 3.873 10 0 DHAERN CCCC[C@H](CC)CNC(=O)CCc1cnc2ccccc2n1 ZINC000583653029 336025207 /nfs/dbraw/zinc/02/52/07/336025207.db2.gz XFHFSWXLVDMEGF-HNNXBMFYSA-N 0 0 313.445 3.895 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)C(=O)c2ccoc2Cl)C12CCCC2 ZINC000192318519 336031084 /nfs/dbraw/zinc/03/10/84/336031084.db2.gz MWFSZEPQKPDTEP-OLZOCXBDSA-N 0 0 311.809 3.743 10 0 DHAERN CC(C)[C@@H]1CCO[C@@H]1c1nc(CO[C@H]2CCCC[C@H]2C)no1 ZINC000329720968 336070105 /nfs/dbraw/zinc/07/01/05/336070105.db2.gz BVPXDQBQBJPAFE-HOSILWTGSA-N 0 0 308.422 3.899 10 0 DHAERN CC(C)C[C@H](C)n1nccc1NC(=O)C[C@H]1CCCCNC1=O ZINC000330292855 336136097 /nfs/dbraw/zinc/13/60/97/336136097.db2.gz DMDALDQZYURAKA-UONOGXRCSA-N 0 0 320.437 3.575 10 0 DHAERN O=C(Nc1ccc2cc[nH]c2c1)N1CCC(OCC2CC2)CC1 ZINC000333045195 336197351 /nfs/dbraw/zinc/19/73/51/336197351.db2.gz PHDOBQJTRSBGPQ-UHFFFAOYSA-N 0 0 313.401 3.591 10 0 DHAERN Cc1nc(C(C)C)oc1CSc1nnnn1C1CCCCC1 ZINC000333054290 336197384 /nfs/dbraw/zinc/19/73/84/336197384.db2.gz LXTXLAAEMDFAKR-UHFFFAOYSA-N 0 0 321.450 3.890 10 0 DHAERN C[C@H]1CC(c2nc(-c3ccc4c(c3)NC(=O)C4)no2)C[C@H](C)C1 ZINC000333077537 336197730 /nfs/dbraw/zinc/19/77/30/336197730.db2.gz DVLLIRPCJLDIHR-GHMZBOCLSA-N 0 0 311.385 3.771 10 0 DHAERN O=C(Nc1ccc2ccoc2c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000333296551 336201235 /nfs/dbraw/zinc/20/12/35/336201235.db2.gz GRZCPLRNDJGCBS-KDOFPFPSSA-N 0 0 314.385 3.592 10 0 DHAERN CC(C)[C@@H]1CCO[C@@H]1c1nc([C@@H]2CCO[C@H]2C(C)(C)C)no1 ZINC000333645552 336207711 /nfs/dbraw/zinc/20/77/11/336207711.db2.gz YAMFFXIBGNLOHT-RFQIPJPRSA-N 0 0 308.422 3.722 10 0 DHAERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC000333675268 336208000 /nfs/dbraw/zinc/20/80/00/336208000.db2.gz DHPVFUIPHQXBTR-CRAIPNDOSA-N 0 0 315.413 3.595 10 0 DHAERN CC[C@H](CC1CCCC1)C(=O)N1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000334126260 336218866 /nfs/dbraw/zinc/21/88/66/336218866.db2.gz PNZKLSIZQOZFBD-CVEARBPZSA-N 0 0 318.465 3.773 10 0 DHAERN COC[C@H](C)C(=O)N1CC[C@H](C)Sc2ccc(Cl)cc21 ZINC000103382972 336241248 /nfs/dbraw/zinc/24/12/48/336241248.db2.gz JVXHSQOFKZFVFH-QWRGUYRKSA-N 0 0 313.850 3.840 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(OCc2ccccc2F)cc1 ZINC000103388569 336241327 /nfs/dbraw/zinc/24/13/27/336241327.db2.gz KHFDXZPGUBSKAE-ZDUSSCGKSA-N 0 0 317.360 3.626 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000103385904 336241375 /nfs/dbraw/zinc/24/13/75/336241375.db2.gz FMUQIOMLVNOHEM-LLVKDONJSA-N 0 0 320.776 3.748 10 0 DHAERN CC(C)CCN(C(=O)N[C@@H]1CCOc2ccccc21)C1CC1 ZINC000043165262 336246607 /nfs/dbraw/zinc/24/66/07/336246607.db2.gz GANXGFDOIDNNSD-MRXNPFEDSA-N 0 0 302.418 3.730 10 0 DHAERN CCC(C)(C)NC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000395995194 336257956 /nfs/dbraw/zinc/25/79/56/336257956.db2.gz ISZWIUMKAROLTD-JTQLQIEISA-N 0 0 313.239 3.998 10 0 DHAERN COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000043721403 336271288 /nfs/dbraw/zinc/27/12/88/336271288.db2.gz YFSNOJISOFNPHG-NWDGAFQWSA-N 0 0 320.364 3.857 10 0 DHAERN C[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000192941483 336285516 /nfs/dbraw/zinc/28/55/16/336285516.db2.gz KPYPZSUCPFUKHB-STQMWFEESA-N 0 0 321.417 3.641 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc2ccccc2n1 ZINC000301212899 336295140 /nfs/dbraw/zinc/29/51/40/336295140.db2.gz VXVORYAAENRHPS-QGZVFWFLSA-N 0 0 306.413 3.927 10 0 DHAERN c1ccc(OC[C@H]2CCCN(c3ccnc(C4CC4)n3)C2)cc1 ZINC000301252419 336296907 /nfs/dbraw/zinc/29/69/07/336296907.db2.gz ALQFVQQYMGMFSO-HNNXBMFYSA-N 0 0 309.413 3.649 10 0 DHAERN Cc1nc(Cl)cc(N2CCC[C@@H](COc3ccccc3)C2)n1 ZINC000301264614 336297650 /nfs/dbraw/zinc/29/76/50/336297650.db2.gz FAQZZVOSYJMCFA-CQSZACIVSA-N 0 0 317.820 3.734 10 0 DHAERN C[C@H](Nc1ncnc2nc[nH]c21)c1cc2cc(Cl)ccc2o1 ZINC000301266940 336297742 /nfs/dbraw/zinc/29/77/42/336297742.db2.gz IBTIVYHKUIAFJP-QMMMGPOBSA-N 0 0 313.748 3.926 10 0 DHAERN C[C@H]1SCCN(c2nc(-c3cccc(Cl)c3)no2)[C@H]1C ZINC000301307322 336299944 /nfs/dbraw/zinc/29/99/44/336299944.db2.gz ZTGMDERMTVBZDS-VHSXEESVSA-N 0 0 309.822 3.720 10 0 DHAERN C[C@@H]1SCCN(c2nc(-c3cccc(Cl)c3)no2)[C@H]1C ZINC000301307321 336299965 /nfs/dbraw/zinc/29/99/65/336299965.db2.gz ZTGMDERMTVBZDS-UWVGGRQHSA-N 0 0 309.822 3.720 10 0 DHAERN O[C@@H](CNc1nc(C(F)F)nc2ccccc21)C1CCCC1 ZINC000301306602 336300033 /nfs/dbraw/zinc/30/00/33/336300033.db2.gz YZJPVTLYWFQOOH-ZDUSSCGKSA-N 0 0 307.344 3.530 10 0 DHAERN CCO[C@H]1C[C@@H](N(C)c2ccnc(C3CC3)n2)C12CCCC2 ZINC000301342219 336301596 /nfs/dbraw/zinc/30/15/96/336301596.db2.gz IKUUSKQRRICRCO-CABCVRRESA-N 0 0 301.434 3.528 10 0 DHAERN COc1ccc(CNc2cncc(Br)c2)cc1C ZINC000301395688 336304258 /nfs/dbraw/zinc/30/42/58/336304258.db2.gz FMHZITFERZTRDS-UHFFFAOYSA-N 0 0 307.191 3.773 10 0 DHAERN Cc1noc(-c2ccnc(N3CCC[C@H]3c3ccccc3)c2)n1 ZINC000301504528 336311067 /nfs/dbraw/zinc/31/10/67/336311067.db2.gz GJZJVHAYCYQMDM-INIZCTEOSA-N 0 0 306.369 3.782 10 0 DHAERN CCc1cnc([C@H](C)Nc2cc(-c3nc(C)no3)ccn2)s1 ZINC000301526373 336312502 /nfs/dbraw/zinc/31/25/02/336312502.db2.gz GCSWRVGECZBDIQ-VIFPVBQESA-N 0 0 315.402 3.632 10 0 DHAERN Cc1nc(-c2ccc(N3CC[C@@H]4CCCC[C@H]43)nc2)[nH]c(=O)c1C ZINC000301537024 336313241 /nfs/dbraw/zinc/31/32/41/336313241.db2.gz ATPWVWXWJBBKPR-GOEBONIOSA-N 0 0 324.428 3.630 10 0 DHAERN COc1cccc([C@@H]2CCCN2c2ccc(SC)nn2)c1 ZINC000301539245 336313301 /nfs/dbraw/zinc/31/33/01/336313301.db2.gz RRRDTCZCOZPYBA-AWEZNQCLSA-N 0 0 301.415 3.549 10 0 DHAERN Cc1cccc2ncnc(N3Cc4ccccc4N(C)C[C@H]3C)c12 ZINC000301569975 336315669 /nfs/dbraw/zinc/31/56/69/336315669.db2.gz NNMXBMFKNFNLQQ-OAHLLOKOSA-N 0 0 318.424 3.783 10 0 DHAERN Cc1ccn(-c2ccc(N[C@H](C)c3ccc(C)c(F)c3)nn2)n1 ZINC000301602937 336317745 /nfs/dbraw/zinc/31/77/45/336317745.db2.gz KRBYNWVVQNSGMM-CYBMUJFWSA-N 0 0 311.364 3.591 10 0 DHAERN Cc1cccc2c(NCc3ccc([S@@](C)=O)cc3)cc[nH+]c12 ZINC000301662027 336321560 /nfs/dbraw/zinc/32/15/60/336321560.db2.gz JUNQAHNFDQNZCP-JOCHJYFZSA-N 0 0 310.422 3.893 10 0 DHAERN CC[C@H](CNc1nc(COC)ns1)c1ccc(Cl)cc1 ZINC000301706308 336324675 /nfs/dbraw/zinc/32/46/75/336324675.db2.gz SGMOJUVFLSWEQG-SNVBAGLBSA-N 0 0 311.838 3.944 10 0 DHAERN Fc1ccc2[nH]c(CCNc3cccc(C(F)(F)F)n3)nc2c1 ZINC000301711412 336324950 /nfs/dbraw/zinc/32/49/50/336324950.db2.gz IBQJWZXKCYSALG-UHFFFAOYSA-N 0 0 324.281 3.770 10 0 DHAERN Cc1cnc(NCc2cnc(OCC(C)C)c(Cl)c2)nc1C ZINC000301912564 336337757 /nfs/dbraw/zinc/33/77/57/336337757.db2.gz DJTXZJUZOKWODO-UHFFFAOYSA-N 0 0 320.824 3.789 10 0 DHAERN C[C@H](Nc1nc(-c2ccsc2)nc2ccccc21)c1nc[nH]n1 ZINC000301983773 336341340 /nfs/dbraw/zinc/34/13/40/336341340.db2.gz AVQMXODODAOYDO-JTQLQIEISA-N 0 0 322.397 3.650 10 0 DHAERN CC1CCC(Nc2nn3cc(-c4cccnc4)nc3s2)CC1 ZINC000302075379 336347194 /nfs/dbraw/zinc/34/71/94/336347194.db2.gz GUBAQFFDJKWQDT-UHFFFAOYSA-N 0 0 313.430 3.843 10 0 DHAERN COC(=O)c1ccc(F)c(CNc2cccc(F)c2C(C)=O)c1 ZINC000302211889 336354193 /nfs/dbraw/zinc/35/41/93/336354193.db2.gz YSVJWNZCAOAHKW-UHFFFAOYSA-N 0 0 319.307 3.566 10 0 DHAERN C[C@H]1CN(c2nc(-c3ccsc3)nc3ccccc32)CCC1=O ZINC000302398113 336358219 /nfs/dbraw/zinc/35/82/19/336358219.db2.gz DJRBKCYAUCEQEA-LBPRGKRZSA-N 0 0 323.421 3.774 10 0 DHAERN OCC[C@H]1CCC[C@H]1Nc1ncc(C(F)(F)F)cc1Cl ZINC000302479383 336359630 /nfs/dbraw/zinc/35/96/30/336359630.db2.gz VYGYEUBSCKMWLK-LDYMZIIASA-N 0 0 308.731 3.717 10 0 DHAERN C[C@H](CNc1ccnc2c(F)cc(F)cc12)CC1(C)OCCO1 ZINC000302551343 336361432 /nfs/dbraw/zinc/36/14/32/336361432.db2.gz WHFFAEUYXSFXOU-NSHDSACASA-N 0 0 322.355 3.714 10 0 DHAERN Cc1cc(Oc2ccc3c(c2)CCC3=O)nc(-c2cccnc2)n1 ZINC000302556259 336361544 /nfs/dbraw/zinc/36/15/44/336361544.db2.gz RUJIIALVOKZPNW-UHFFFAOYSA-N 0 0 317.348 3.768 10 0 DHAERN FC(F)(F)Oc1ccc(N[C@H](c2nccs2)C2CC2)nc1 ZINC000302605718 336362389 /nfs/dbraw/zinc/36/23/89/336362389.db2.gz ZTLOBAFGTOSBBQ-NSHDSACASA-N 0 0 315.320 4.000 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1cnc2cc(F)c(F)cc2n1 ZINC000302833379 336371251 /nfs/dbraw/zinc/37/12/51/336371251.db2.gz SHLXIICCMWJUHV-KRWDZBQOSA-N 0 0 321.371 3.694 10 0 DHAERN Cc1cnc(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)s1 ZINC000302842036 336371680 /nfs/dbraw/zinc/37/16/80/336371680.db2.gz MJLKVVLGANRKFB-NSHDSACASA-N 0 0 316.430 3.909 10 0 DHAERN COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116040041 336830330 /nfs/dbraw/zinc/83/03/30/336830330.db2.gz JEKWCJHUHZAEOA-YESZJQIVSA-N 0 0 311.381 3.755 10 0 DHAERN COc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116483001 336840621 /nfs/dbraw/zinc/84/06/21/336840621.db2.gz QUPCMYRVMBMFLU-ZDUSSCGKSA-N 0 0 304.321 3.796 10 0 DHAERN CCO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(CC)cc2)n1 ZINC000120364131 336909058 /nfs/dbraw/zinc/90/90/58/336909058.db2.gz BBOXSFGRZGSUKU-STQMWFEESA-N 0 0 303.406 3.580 10 0 DHAERN COC(=O)c1c(C)[nH]c(-c2csc(-c3ccncc3)n2)c1C ZINC000023623317 336974224 /nfs/dbraw/zinc/97/42/24/336974224.db2.gz OTCIZAFFVMWQSS-UHFFFAOYSA-N 0 0 313.382 3.604 10 0 DHAERN C[C@H](C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1c(F)cccc1F ZINC000122012380 336990450 /nfs/dbraw/zinc/99/04/50/336990450.db2.gz WFPIHINKPYGCHX-XHDPSFHLSA-N 0 0 319.355 3.545 10 0 DHAERN C[C@@H](C(=O)N1CCCC[C@H]1c1cn[nH]c1)c1c(F)cccc1F ZINC000122013075 336990459 /nfs/dbraw/zinc/99/04/59/336990459.db2.gz WFPIHINKPYGCHX-ABAIWWIYSA-N 0 0 319.355 3.545 10 0 DHAERN CC(C)CCC[C@@H](C)NC(=O)N1CCC(Cn2cccn2)CC1 ZINC000122385488 337005631 /nfs/dbraw/zinc/00/56/31/337005631.db2.gz JBRFKEJWKKZWPF-MRXNPFEDSA-N 0 0 320.481 3.520 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1c(F)cccc1F ZINC000122817977 337026621 /nfs/dbraw/zinc/02/66/21/337026621.db2.gz PGVUOARIUWZOSQ-MRXNPFEDSA-N 0 0 305.372 3.652 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000123168409 337038671 /nfs/dbraw/zinc/03/86/71/337038671.db2.gz WJNVPOBHNXJGLX-OAHLLOKOSA-N 0 0 322.412 3.746 10 0 DHAERN COCc1nc(C)c(C(=O)N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000123237229 337041133 /nfs/dbraw/zinc/04/11/33/337041133.db2.gz GDBYGAYNTMDYOG-VIFPVBQESA-N 0 0 324.833 3.742 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)/C=C/c2ccc(Cl)s2)cn1 ZINC000171350855 337086315 /nfs/dbraw/zinc/08/63/15/337086315.db2.gz JXYUXVMGSFUQRD-IYNGYCSASA-N 0 0 321.833 3.512 10 0 DHAERN CO[C@@H](CNC(=O)N1CCC[C@H]1c1ccco1)c1ccccc1 ZINC000172117457 337089863 /nfs/dbraw/zinc/08/98/63/337089863.db2.gz QYADWSBKVGDFNL-RDJZCZTQSA-N 0 0 314.385 3.514 10 0 DHAERN Cc1ccccc1-n1cc(C(=O)N[C@@H](C)c2cccs2)cn1 ZINC000171935389 337090380 /nfs/dbraw/zinc/09/03/80/337090380.db2.gz JTQNYEPVLHSMCM-ZDUSSCGKSA-N 0 0 311.410 3.733 10 0 DHAERN Cc1c(C(=O)N2CCC[C@H]2c2ccco2)oc2c1C(=O)CCC2 ZINC000172241254 337091498 /nfs/dbraw/zinc/09/14/98/337091498.db2.gz JVVDOBAYERHBBI-LBPRGKRZSA-N 0 0 313.353 3.677 10 0 DHAERN O=c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)[nH]1 ZINC000145070810 337108152 /nfs/dbraw/zinc/10/81/52/337108152.db2.gz HVGPEIPVWZJDQW-UHFFFAOYSA-N 0 0 309.074 3.763 10 0 DHAERN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593996 337130264 /nfs/dbraw/zinc/13/02/64/337130264.db2.gz JTBRKYHTKMWNKD-OLZOCXBDSA-N 0 0 304.365 3.713 10 0 DHAERN C[C@@H](COCc1ccccc1)Nc1nc2ccccc2cc1CO ZINC000172780671 337130948 /nfs/dbraw/zinc/13/09/48/337130948.db2.gz JKRDGIPUOXTDRX-HNNXBMFYSA-N 0 0 322.408 3.744 10 0 DHAERN CC(C)c1nccc(N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 ZINC000172809221 337131220 /nfs/dbraw/zinc/13/12/20/337131220.db2.gz SQHQNHQSVAREEK-IRXDYDNUSA-N 0 0 311.429 3.693 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(C(=O)C3CCCCCCC3)C2)no1 ZINC000172832125 337131368 /nfs/dbraw/zinc/13/13/68/337131368.db2.gz XDRXHZKCKCBXKK-HNNXBMFYSA-N 0 0 319.449 3.520 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879908 337131656 /nfs/dbraw/zinc/13/16/56/337131656.db2.gz BXELQDUPHNHXFC-CHWSQXEVSA-N 0 0 320.820 3.597 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC(c2nncn2CC)CC1 ZINC000173099065 337132091 /nfs/dbraw/zinc/13/20/91/337132091.db2.gz FJNPSMRTWFPVBX-HNNXBMFYSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)CCCC3CCCC3)C2)c1 ZINC000173097856 337132092 /nfs/dbraw/zinc/13/20/92/337132092.db2.gz LDKKNBDFWDPMOK-KRWDZBQOSA-N 0 0 303.450 3.716 10 0 DHAERN CC(C)c1nnc(CN2CC[C@H](c3ccccc3)[C@H](C)C2)n1C ZINC000172943816 337132574 /nfs/dbraw/zinc/13/25/74/337132574.db2.gz VEJVTUQXKFIULH-WBVHZDCISA-N 0 0 312.461 3.564 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc2ncccc2c1 ZINC000172961272 337132616 /nfs/dbraw/zinc/13/26/16/337132616.db2.gz QKRSKYJPMBSKOJ-OAHLLOKOSA-N 0 0 320.392 3.570 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc2ncccc2c1 ZINC000172961267 337132622 /nfs/dbraw/zinc/13/26/22/337132622.db2.gz QKRSKYJPMBSKOJ-HNNXBMFYSA-N 0 0 320.392 3.570 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccnc2ccccc21 ZINC000172956105 337132628 /nfs/dbraw/zinc/13/26/28/337132628.db2.gz QCRPLOPKJGEXFV-HNNXBMFYSA-N 0 0 320.392 3.570 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1nccc2ccccc21 ZINC000172964669 337132646 /nfs/dbraw/zinc/13/26/46/337132646.db2.gz AOHBIMDOGLOAGW-HNNXBMFYSA-N 0 0 320.392 3.570 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)/C=C/c3cccs3)C2)n1 ZINC000173406664 337135128 /nfs/dbraw/zinc/13/51/28/337135128.db2.gz FLVTYCKCKHMKIJ-YBJDMEARSA-N 0 0 318.467 3.932 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 ZINC000173407016 337135155 /nfs/dbraw/zinc/13/51/55/337135155.db2.gz KFULPDDQKDLEQC-LBPRGKRZSA-N 0 0 306.456 3.841 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 ZINC000173426179 337135170 /nfs/dbraw/zinc/13/51/70/337135170.db2.gz FRZVNXDRVFAZOM-LLVKDONJSA-N 0 0 322.380 3.750 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)CC2CCCCC2)no1 ZINC000173453347 337135373 /nfs/dbraw/zinc/13/53/73/337135373.db2.gz QFWNLGPOJWWZGZ-AWEZNQCLSA-N 0 0 305.422 3.827 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cccnc3Cl)C2)n1 ZINC000173588617 337136672 /nfs/dbraw/zinc/13/66/72/337136672.db2.gz ZZEFVWKFJNAMGT-LLVKDONJSA-N 0 0 321.833 3.520 10 0 DHAERN CCCCC[C@@H](C)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000173633381 337137085 /nfs/dbraw/zinc/13/70/85/337137085.db2.gz BRRXXWJCHUUIDB-MRXNPFEDSA-N 0 0 305.466 3.728 10 0 DHAERN Cc1ccccc1CC(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173911298 337137483 /nfs/dbraw/zinc/13/74/83/337137483.db2.gz LXHAGARINNVIES-MRXNPFEDSA-N 0 0 319.408 3.601 10 0 DHAERN C[C@@H](NC(=O)CCc1ccccc1)c1cccc(-n2ccnc2)c1 ZINC000173910405 337137516 /nfs/dbraw/zinc/13/75/16/337137516.db2.gz QKGZUCDYGBMAHN-MRXNPFEDSA-N 0 0 319.408 3.682 10 0 DHAERN CCc1nc(NC(=O)N2CCC[C@@H]2c2ccco2)sc1C ZINC000174354336 337141017 /nfs/dbraw/zinc/14/10/17/337141017.db2.gz CARYWLVRJIIFGP-GFCCVEGCSA-N 0 0 305.403 3.976 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)Nc1ccccc1Cl ZINC000175148695 337144696 /nfs/dbraw/zinc/14/46/96/337144696.db2.gz HGHPPBXBUFPOOT-ZDUSSCGKSA-N 0 0 318.808 3.541 10 0 DHAERN O=C(NCCc1cc(F)ccc1F)N1CCC[C@@H]1c1ccco1 ZINC000174874452 337145130 /nfs/dbraw/zinc/14/51/30/337145130.db2.gz LENOJAQJPVOKCM-OAHLLOKOSA-N 0 0 320.339 3.647 10 0 DHAERN CCCCCC(C)(C)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000175431333 337147352 /nfs/dbraw/zinc/14/73/52/337147352.db2.gz OQYIOIDXKBMRET-UHFFFAOYSA-N 0 0 305.466 3.733 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1c(Cl)cccc1Cl ZINC000176147471 337150520 /nfs/dbraw/zinc/15/05/20/337150520.db2.gz KMIHEWNYQFSYAK-GFCCVEGCSA-N 0 0 308.164 3.857 10 0 DHAERN Cc1nc(CCCC(=O)N2CCC[C@@H]2c2ccco2)cs1 ZINC000176601744 337152314 /nfs/dbraw/zinc/15/23/14/337152314.db2.gz ZLTJOLVKIWVHSR-CQSZACIVSA-N 0 0 304.415 3.731 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)CCCC1CCCC1 ZINC000177223481 337154882 /nfs/dbraw/zinc/15/48/82/337154882.db2.gz KALTUOHYLCMBPM-QGZVFWFLSA-N 0 0 303.450 3.543 10 0 DHAERN Cc1csc([C@@H]2CN([C@@H]3CCc4ccc(F)cc43)CCO2)n1 ZINC000177697805 337158540 /nfs/dbraw/zinc/15/85/40/337158540.db2.gz GSNZPKBNVSTNCX-CVEARBPZSA-N 0 0 318.417 3.651 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)CC1CCCCCC1 ZINC000177723566 337158932 /nfs/dbraw/zinc/15/89/32/337158932.db2.gz GEHVJXFIEGEMBQ-QGZVFWFLSA-N 0 0 303.450 3.543 10 0 DHAERN Cc1cc2ccccc2nc1N[C@@H]1CCc2nnc(C(C)C)n2C1 ZINC000177912721 337159084 /nfs/dbraw/zinc/15/90/84/337159084.db2.gz BTODQWDTEFSSBI-OAHLLOKOSA-N 0 0 321.428 3.685 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cccc(Cl)c1F ZINC000177939140 337159247 /nfs/dbraw/zinc/15/92/47/337159247.db2.gz HHNRQTXFBVKYKR-ZDUSSCGKSA-N 0 0 305.736 3.733 10 0 DHAERN CC(=O)CCC(=O)NC[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000178006072 337159667 /nfs/dbraw/zinc/15/96/67/337159667.db2.gz SBMODQAABIALLQ-GWCFXTLKSA-N 0 0 314.212 3.582 10 0 DHAERN C[C@H](N[C@H]1CC(C)(C)c2ccccc21)c1nnc2n1CCCC2 ZINC000178076304 337160313 /nfs/dbraw/zinc/16/03/13/337160313.db2.gz DUDHZMQTNVHVNS-BBRMVZONSA-N 0 0 310.445 3.688 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC000178815463 337167244 /nfs/dbraw/zinc/16/72/44/337167244.db2.gz QWFJFBHJBQYJSV-INIZCTEOSA-N 0 0 317.477 3.970 10 0 DHAERN COCc1cccc(C[N@@H+]2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000179214231 337168322 /nfs/dbraw/zinc/16/83/22/337168322.db2.gz GHGSGTFNCVIKQM-SFHVURJKSA-N 0 0 313.445 3.520 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccccc1NCc1ccccc1C ZINC000180389541 337174056 /nfs/dbraw/zinc/17/40/56/337174056.db2.gz CQOXQFDHLGNVMZ-OAHLLOKOSA-N 0 0 312.413 3.828 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000180472032 337174922 /nfs/dbraw/zinc/17/49/22/337174922.db2.gz AYKCBZJGWRWYQA-IRXDYDNUSA-N 0 0 305.466 3.962 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N3CCS[C@H](C)C3)s2)o1 ZINC000180936348 337178690 /nfs/dbraw/zinc/17/86/90/337178690.db2.gz IAAQVGCVOVCKAM-LLVKDONJSA-N 0 0 307.440 3.894 10 0 DHAERN CCCn1cc(C(=O)N2CCCC[C@H]2c2ccc(CC)o2)cn1 ZINC000181074909 337179714 /nfs/dbraw/zinc/17/97/14/337179714.db2.gz XZHWCVNZZZNXMP-INIZCTEOSA-N 0 0 315.417 3.816 10 0 DHAERN Cc1noc2ncc(C(=O)N[C@H]3c4cc(C)ccc4C[C@@H]3C)cc12 ZINC000181242248 337180596 /nfs/dbraw/zinc/18/05/96/337180596.db2.gz KXBBARHDRNSIOV-APPDUMDISA-N 0 0 321.380 3.503 10 0 DHAERN COc1ccc(-c2nc(CN[C@@H](C)c3ccccc3C)no2)cc1 ZINC000181533503 337182855 /nfs/dbraw/zinc/18/28/55/337182855.db2.gz YCVYKBADECAMHY-AWEZNQCLSA-N 0 0 323.396 3.904 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCCc1ccccn1)[C@@H](C)C2 ZINC000181664875 337183747 /nfs/dbraw/zinc/18/37/47/337183747.db2.gz VMIHNMXIXUOYNX-HNAYVOBHSA-N 0 0 323.440 3.555 10 0 DHAERN COc1cccc2[nH]cc(CC(=O)N3CCC[C@H]3c3ccco3)c21 ZINC000181972027 337185573 /nfs/dbraw/zinc/18/55/73/337185573.db2.gz XZSHMMURRWNGSZ-HNNXBMFYSA-N 0 0 324.380 3.676 10 0 DHAERN CCC[C@H](NC(=O)CN[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091548 337191295 /nfs/dbraw/zinc/19/12/95/337191295.db2.gz ZZZDLUJVXLDUJT-RDJZCZTQSA-N 0 0 314.429 3.896 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000183649367 337194011 /nfs/dbraw/zinc/19/40/11/337194011.db2.gz MNMUETGPPLTKPM-IIAWOOMASA-N 0 0 303.450 3.546 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000184134581 337196458 /nfs/dbraw/zinc/19/64/58/337196458.db2.gz DIKADDIAVCTESA-XIRDDKMYSA-N 0 0 317.477 3.645 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCO[C@H](c3ccco3)C2)CC(C)(C)C1 ZINC000184156564 337196582 /nfs/dbraw/zinc/19/65/82/337196582.db2.gz LYRQAANOPVMAFR-FMKPAKJESA-N 0 0 305.418 3.642 10 0 DHAERN Cc1nccn1CCCN(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000184250010 337197571 /nfs/dbraw/zinc/19/75/71/337197571.db2.gz SXRXAGLVIYLDIK-GDBMZVCRSA-N 0 0 305.466 3.502 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccc(C)cn3)C2)n1 ZINC000184276389 337197664 /nfs/dbraw/zinc/19/76/64/337197664.db2.gz RZOZFVGLYPYFEK-ZDUSSCGKSA-N 0 0 316.430 3.566 10 0 DHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000185396765 337204774 /nfs/dbraw/zinc/20/47/74/337204774.db2.gz UQPPBWKKOFQWGX-UXLLHSPISA-N 0 0 315.413 3.657 10 0 DHAERN Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[C@H]1c1ccco1)CO2 ZINC000185905122 337251536 /nfs/dbraw/zinc/25/15/36/337251536.db2.gz PLIFHDHOPWOLSM-CVEARBPZSA-N 0 0 311.381 3.736 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H]1CCCc2c(C)ccc(C)c21 ZINC000186191918 337254263 /nfs/dbraw/zinc/25/42/63/337254263.db2.gz JTJNOUOUPAZMPT-DLBZAZTESA-N 0 0 324.472 3.959 10 0 DHAERN COCCC1(CNC(=O)N[C@@H](C)c2ccc(C)o2)CCCCC1 ZINC000186340535 337256632 /nfs/dbraw/zinc/25/66/32/337256632.db2.gz KZDKJKQUYPFMOK-HNNXBMFYSA-N 0 0 322.449 3.935 10 0 DHAERN O=C(CCCC1CCCC1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187758478 337268053 /nfs/dbraw/zinc/26/80/53/337268053.db2.gz HYAPIJZGBIBJNT-IRXDYDNUSA-N 0 0 321.486 3.643 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000188051171 337270257 /nfs/dbraw/zinc/27/02/57/337270257.db2.gz AUTOBHUPVQMEPD-GWCFXTLKSA-N 0 0 301.308 3.545 10 0 DHAERN CC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1C ZINC000188512418 337273876 /nfs/dbraw/zinc/27/38/76/337273876.db2.gz GUVREOSGFFYEFG-INIZCTEOSA-N 0 0 312.369 3.524 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N[C@@H](CC1CCC1)c1ccccc1 ZINC000190061997 337284991 /nfs/dbraw/zinc/28/49/91/337284991.db2.gz WEYAORUGPSCQPH-WBAXXEDZSA-N 0 0 301.430 3.849 10 0 DHAERN c1csc([C@H]2CCCC[N@H+]2CC2CCC3(CC2)OCCO3)n1 ZINC000190206176 337285575 /nfs/dbraw/zinc/28/55/75/337285575.db2.gz JRYDTFMEDPUMAP-OAHLLOKOSA-N 0 0 322.474 3.603 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000190776674 337290694 /nfs/dbraw/zinc/29/06/94/337290694.db2.gz BFFQSYDFTLIZJF-WRWORJQWSA-N 0 0 304.173 3.508 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)c2ccc(C3CCC3)cc2)cn1 ZINC000191244793 337295107 /nfs/dbraw/zinc/29/51/07/337295107.db2.gz IHANGDAZDUCSFZ-SFHVURJKSA-N 0 0 309.413 3.665 10 0 DHAERN CCCC[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(OC)cc1 ZINC000191238976 337295172 /nfs/dbraw/zinc/29/51/72/337295172.db2.gz WQLVSUYMKWNMKH-OLMNPRSZSA-N 0 0 319.445 3.858 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000191698627 337300562 /nfs/dbraw/zinc/30/05/62/337300562.db2.gz ZWYCECUUGIBQMA-VXGBXAGGSA-N 0 0 307.356 3.619 10 0 DHAERN Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000192105711 337302918 /nfs/dbraw/zinc/30/29/18/337302918.db2.gz FGEYPYBRQBCWIH-LJQANCHMSA-N 0 0 321.428 3.631 10 0 DHAERN Brc1ccc2c(c1)CCCCN2Cc1ncccn1 ZINC000192143950 337303212 /nfs/dbraw/zinc/30/32/12/337303212.db2.gz SXMBRFFSPXWSCV-UHFFFAOYSA-N 0 0 318.218 3.582 10 0 DHAERN C[C@@H](NCc1ncccn1)c1c(Cl)ccc(F)c1Cl ZINC000192150200 337303318 /nfs/dbraw/zinc/30/33/18/337303318.db2.gz BHDYKNVUSWJWKL-MRVPVSSYSA-N 0 0 300.164 3.773 10 0 DHAERN CC1(C)C[C@H](NC(=O)c2ccoc2Cl)c2ccccc2O1 ZINC000192340623 337304603 /nfs/dbraw/zinc/30/46/03/337304603.db2.gz QOSQZMONXFHDOE-LBPRGKRZSA-N 0 0 305.761 3.965 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccoc3Cl)C2)n1 ZINC000192393752 337304943 /nfs/dbraw/zinc/30/49/43/337304943.db2.gz IXLOJJFYXZWFEI-JTQLQIEISA-N 0 0 310.806 3.718 10 0 DHAERN COc1ccc2[nH]cc(CC(=O)N[C@H](C)c3cccs3)c2c1 ZINC000193129716 337308447 /nfs/dbraw/zinc/30/84/47/337308447.db2.gz BWCBHCUVKIHFTK-LLVKDONJSA-N 0 0 314.410 3.658 10 0 DHAERN Cc1noc(C)c1CN(Cc1c(C)noc1C)[C@H](C)C1CC1 ZINC000192939650 337308562 /nfs/dbraw/zinc/30/85/62/337308562.db2.gz SKDFOBJFZMWRMG-GFCCVEGCSA-N 0 0 303.406 3.697 10 0 DHAERN COC(=O)c1cc(-c2nc(N)c(F)cc2Cl)ccc1Cl ZINC000584599115 337370575 /nfs/dbraw/zinc/37/05/75/337370575.db2.gz YEHOAHUBBBYVGI-UHFFFAOYSA-N 0 0 315.131 3.563 10 0 DHAERN O=C1[C@@H]2CCCCCCCCN2C(=S)N1c1ccccc1 ZINC000584605809 337371591 /nfs/dbraw/zinc/37/15/91/337371591.db2.gz LZZYAKIUZJXSID-HNNXBMFYSA-N 0 0 302.443 3.733 10 0 DHAERN CCOC(=O)C1=C(Cc2cc(OC)ccc2OC)CCCC1 ZINC000584616520 337372901 /nfs/dbraw/zinc/37/29/01/337372901.db2.gz NTASSPJZZLQHGR-UHFFFAOYSA-N 0 0 304.386 3.680 10 0 DHAERN Cc1cc(-c2cnn(C)c2)ccc1-c1cncc2ccc(=O)[nH]c21 ZINC000584615978 337372958 /nfs/dbraw/zinc/37/29/58/337372958.db2.gz JSYQWBAKQRVZJS-UHFFFAOYSA-N 0 0 316.364 3.711 10 0 DHAERN NC(=O)c1cnc2cncc(-c3ccc(Cl)cc3Cl)c2c1 ZINC000584616005 337372976 /nfs/dbraw/zinc/37/29/76/337372976.db2.gz OSBMCAAGAMWTHR-UHFFFAOYSA-N 0 0 318.163 3.703 10 0 DHAERN COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCO[C@@]2(C)O ZINC000584617862 337373045 /nfs/dbraw/zinc/37/30/45/337373045.db2.gz WHICPBKYSOOHKI-SWBPCFCJSA-N 0 0 316.441 3.886 10 0 DHAERN C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(CO)[C@H]3CC[C@@]21C ZINC000584591598 337373517 /nfs/dbraw/zinc/37/35/17/337373517.db2.gz JFXDQBUSGSGMEG-IPOQXWOTSA-N 0 0 304.474 3.919 10 0 DHAERN O=C1Nc2ccc(F)cc2N[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000584621555 337374885 /nfs/dbraw/zinc/37/48/85/337374885.db2.gz WZTFKXFYRNOGPM-CYBMUJFWSA-N 0 0 310.250 3.950 10 0 DHAERN C[C@](O)(c1c[nH]c2cc(Br)ccc21)C(F)(F)F ZINC000584623143 337375224 /nfs/dbraw/zinc/37/52/24/337375224.db2.gz DDNMKQFSHFCFEY-JTQLQIEISA-N 0 0 308.097 3.700 10 0 DHAERN C[C@@](O)(c1ccc(O)cc1)[C@H](c1ccccc1)c1ccccn1 ZINC000584629690 337376596 /nfs/dbraw/zinc/37/65/96/337376596.db2.gz OIAKROPZZAXBON-WOJBJXKFSA-N 0 0 305.377 3.827 10 0 DHAERN CCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584632762 337377173 /nfs/dbraw/zinc/37/71/73/337377173.db2.gz NNUSHGWYGBOWJG-UHFFFAOYSA-N 0 0 304.777 3.590 10 0 DHAERN CC(C)(C)OC(=O)C1=C(O)CCc2cc3cc(Cl)ccc3n21 ZINC000584656541 337378031 /nfs/dbraw/zinc/37/80/31/337378031.db2.gz YJWSVBDNYUYFFC-HNNXBMFYSA-N 0 0 319.788 3.693 10 0 DHAERN CC(C)(C)OC(=O)n1c(=O)ccc2cc(Br)ccc21 ZINC000584662002 337378458 /nfs/dbraw/zinc/37/84/58/337378458.db2.gz LZCOHRYRIDGLHW-UHFFFAOYSA-N 0 0 324.174 3.547 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(C)c(C)c1 ZINC000105846925 337386801 /nfs/dbraw/zinc/38/68/01/337386801.db2.gz KWUOKVDABQLTKC-KRWDZBQOSA-N 0 0 311.429 3.631 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC000105850738 337386878 /nfs/dbraw/zinc/38/68/78/337386878.db2.gz VUPVTDQWXNHWHC-MRXNPFEDSA-N 0 0 303.450 3.671 10 0 DHAERN CC(C)[C@H](C)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000030997123 337390649 /nfs/dbraw/zinc/39/06/49/337390649.db2.gz DAKPSMXVBGFPLK-NSHDSACASA-N 0 0 306.406 3.652 10 0 DHAERN O=C(C1C2CC3CC(C2)CC1C3)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113891375 337391309 /nfs/dbraw/zinc/39/13/09/337391309.db2.gz BYEKYJAREBUTDY-HRWDSRQLSA-N 0 0 313.445 3.536 10 0 DHAERN O=C(c1ccc(OC(F)F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116039869 337392195 /nfs/dbraw/zinc/39/21/95/337392195.db2.gz IUYSBORTBYRHGR-ZDUSSCGKSA-N 0 0 307.296 3.858 10 0 DHAERN CCC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccco2)c1 ZINC000116042990 337392220 /nfs/dbraw/zinc/39/22/20/337392220.db2.gz ZOTMEXCBPCGORG-HNNXBMFYSA-N 0 0 312.369 3.605 10 0 DHAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1c1ccco1 ZINC000116046661 337392240 /nfs/dbraw/zinc/39/22/40/337392240.db2.gz GLLPHFMMJGLXON-FVNWOWOISA-N 0 0 319.364 3.600 10 0 DHAERN Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116211473 337392457 /nfs/dbraw/zinc/39/24/57/337392457.db2.gz IDILHUPSYVRKOG-GFCCVEGCSA-N 0 0 308.765 3.526 10 0 DHAERN O=C(c1c(Cl)nc2ccccn21)N1CCC[C@H]1c1ccco1 ZINC000116211496 337392555 /nfs/dbraw/zinc/39/25/55/337392555.db2.gz SJRDMEVAYWJAJK-NSHDSACASA-N 0 0 315.760 3.558 10 0 DHAERN C[C@H](Cc1ccccc1F)NC(=O)N1CCC[C@H]1c1ccco1 ZINC000116423748 337392710 /nfs/dbraw/zinc/39/27/10/337392710.db2.gz MBMZAKRRUQXMOG-CJNGLKHVSA-N 0 0 316.376 3.896 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1F ZINC000121742426 337396519 /nfs/dbraw/zinc/39/65/19/337396519.db2.gz JJJFTUVJQMJPMU-NTQSIJHJSA-N 0 0 317.404 3.707 10 0 DHAERN CN(C(=O)N[C@H]1CCOc2ccccc21)[C@@H]1CCc2ccccc21 ZINC000043165022 337410001 /nfs/dbraw/zinc/41/00/01/337410001.db2.gz XEBAWUFDLLSJEU-ZWKOTPCHSA-N 0 0 322.408 3.839 10 0 DHAERN CCc1ccc([C@H](CC)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000130945457 337435428 /nfs/dbraw/zinc/43/54/28/337435428.db2.gz NGZBWQIAXBUFGL-PBHICJAKSA-N 0 0 312.461 3.979 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc2ccccc2o1 ZINC000131133179 337436415 /nfs/dbraw/zinc/43/64/15/337436415.db2.gz CRAIPTLPLIRADW-OLZOCXBDSA-N 0 0 310.401 3.772 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)c1ccncc1 ZINC000056794836 337457376 /nfs/dbraw/zinc/45/73/76/337457376.db2.gz SZQIKOQDVOEZHI-SUMWQHHRSA-N 0 0 313.376 3.828 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccc(C)cc1 ZINC000062093906 337459968 /nfs/dbraw/zinc/45/99/68/337459968.db2.gz GSZVEUNMXYHWOV-UHFFFAOYSA-N 0 0 320.392 3.931 10 0 DHAERN CC(C)n1nnnc1CNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000194983969 337464530 /nfs/dbraw/zinc/46/45/30/337464530.db2.gz NPPHLLXXSRXQCF-UHFFFAOYSA-N 0 0 319.718 3.538 10 0 DHAERN Cc1ccc(NCc2nnc(C3CC3)n2C)cc1C(F)(F)F ZINC000194987579 337464539 /nfs/dbraw/zinc/46/45/39/337464539.db2.gz OIFKXFGXRDJFOG-UHFFFAOYSA-N 0 0 310.323 3.632 10 0 DHAERN CCc1nc2cc(NC(=O)N[C@@H]3COc4ccccc43)ccc2o1 ZINC000195196518 337465552 /nfs/dbraw/zinc/46/55/52/337465552.db2.gz DJQRAPUAOGJDIW-CQSZACIVSA-N 0 0 323.352 3.645 10 0 DHAERN C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc21)[C@@H]1CCCO1 ZINC000245929865 337498810 /nfs/dbraw/zinc/49/88/10/337498810.db2.gz PUNJNKHQQDARRH-YFYLHZKVSA-N 0 0 309.409 3.627 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)O1 ZINC000245953790 337499749 /nfs/dbraw/zinc/49/97/49/337499749.db2.gz BPXLOQDACQDCPM-BVGQSLNGSA-N 0 0 312.413 3.789 10 0 DHAERN CC(C)C[C@@H](C)S(=O)(=O)N1CCC[C@@H]1c1cccs1 ZINC000074362547 337551844 /nfs/dbraw/zinc/55/18/44/337551844.db2.gz HXKYCSRDDGPAKC-CHWSQXEVSA-N 0 0 301.477 3.649 10 0 DHAERN CC(C)C[C@H](C)NC(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000246490067 337552292 /nfs/dbraw/zinc/55/22/92/337552292.db2.gz GPFMPVVNMLMMCC-RYQLBKOJSA-N 0 0 318.461 3.719 10 0 DHAERN COC(=O)[C@H](N[C@H]1CC[C@H](C)c2ccccc21)c1cccnc1 ZINC000246698211 337554510 /nfs/dbraw/zinc/55/45/10/337554510.db2.gz XAMWLONFSNVPOK-DOPJRALCSA-N 0 0 310.397 3.524 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)C[C@@H](C)C1 ZINC000248563720 337564682 /nfs/dbraw/zinc/56/46/82/337564682.db2.gz MYBZAMGZJPNRKB-JZAWBGDQSA-N 0 0 319.445 3.766 10 0 DHAERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2ncon2)c1 ZINC000076986213 337575479 /nfs/dbraw/zinc/57/54/79/337575479.db2.gz YEUDBLIMZPQJRI-IRXDYDNUSA-N 0 0 319.364 3.787 10 0 DHAERN CC[C@@H](NC(=O)N1CCS[C@H](C)C1)c1cc(F)ccc1F ZINC000077873690 337585684 /nfs/dbraw/zinc/58/56/84/337585684.db2.gz GUJBJYLSGATDHU-QMTHXVAHSA-N 0 0 314.401 3.563 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3ccc(C)nc3C)C2)cc1 ZINC000078188250 337592381 /nfs/dbraw/zinc/59/23/81/337592381.db2.gz MSRLRSBZOIABDP-WMLDXEAASA-N 0 0 324.424 3.725 10 0 DHAERN CC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c1C ZINC000078261926 337592730 /nfs/dbraw/zinc/59/27/30/337592730.db2.gz RZNBVSVRRIWTRT-LBPRGKRZSA-N 0 0 315.373 3.738 10 0 DHAERN CCS[C@@H]1CC[C@@H](Nc2ccc(Br)cn2)C1 ZINC000078586847 337602777 /nfs/dbraw/zinc/60/27/77/337602777.db2.gz PDAMOFCUMREBSP-GHMZBOCLSA-N 0 0 301.253 3.930 10 0 DHAERN CC(C)OCc1ccc(C(=O)N2CCCc3c(N)cccc32)cc1 ZINC000261684088 337608513 /nfs/dbraw/zinc/60/85/13/337608513.db2.gz ADETWOODUMALBX-UHFFFAOYSA-N 0 0 324.424 3.787 10 0 DHAERN CCc1ccc(NC(=O)[C@H](C)N2CCCc3c(N)cccc32)cc1 ZINC000261711035 337609050 /nfs/dbraw/zinc/60/90/50/337609050.db2.gz DONCINDHRRABDB-AWEZNQCLSA-N 0 0 323.440 3.611 10 0 DHAERN CCn1c2cccc(F)c2nc1CN1CCCc2c(N)cccc21 ZINC000261903908 337612378 /nfs/dbraw/zinc/61/23/78/337612378.db2.gz WNMVRNLYYRDTAX-UHFFFAOYSA-N 0 0 324.403 3.730 10 0 DHAERN CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1)C(=O)[O-] ZINC000263032831 337623393 /nfs/dbraw/zinc/62/33/93/337623393.db2.gz HMLJLCLYOUOXAK-HYVNUMGLSA-N 0 0 307.409 3.798 10 0 DHAERN CCC1CCC(NC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000079648493 337625864 /nfs/dbraw/zinc/62/58/64/337625864.db2.gz AXYCXYQZAJHWFN-UHFFFAOYSA-N 0 0 303.406 3.735 10 0 DHAERN CCC[C@H]([NH2+][C@H](C)[C@H](C)c1nc2ccccc2s1)C(=O)[O-] ZINC000263379659 337627101 /nfs/dbraw/zinc/62/71/01/337627101.db2.gz BJULSCYZXJMUER-LOWVWBTDSA-N 0 0 306.431 3.631 10 0 DHAERN CC1(C)CCc2ccccc2[C@H]1[NH2+]C1CCC(C(=O)[O-])CC1 ZINC000263412925 337628187 /nfs/dbraw/zinc/62/81/87/337628187.db2.gz MAMVEPSQRYNXEF-VMBOVVBDSA-N 0 0 301.430 3.933 10 0 DHAERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2ccccc21 ZINC000263510792 337630849 /nfs/dbraw/zinc/63/08/49/337630849.db2.gz NIWVQRXJFZKMEA-IEBWSBKVSA-N 0 0 309.409 3.740 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)c2ccc(-c3ncon3)cc2)cc1 ZINC000107090768 337823543 /nfs/dbraw/zinc/82/35/43/337823543.db2.gz UOJXAEDCADJLHX-ZDUSSCGKSA-N 0 0 321.380 3.790 10 0 DHAERN O=C(c1cc(Cl)ccc1Cl)N1CCO[C@H]2CCCC[C@H]21 ZINC000046486545 337836212 /nfs/dbraw/zinc/83/62/12/337836212.db2.gz XJKQBSUWMJEBLI-KGLIPLIRSA-N 0 0 314.212 3.777 10 0 DHAERN C[C@H](Sc1ccccn1)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000084967300 337846258 /nfs/dbraw/zinc/84/62/58/337846258.db2.gz PDZVKLTVYASBDV-HNNXBMFYSA-N 0 0 324.449 3.878 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)Cc2cc(F)ccc2F)cc1F ZINC000119422084 337859630 /nfs/dbraw/zinc/85/96/30/337859630.db2.gz LSLLQMDZQVVYPV-NSHDSACASA-N 0 0 307.315 3.832 10 0 DHAERN COC(=O)Cc1cccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000119870840 337867218 /nfs/dbraw/zinc/86/72/18/337867218.db2.gz CYEQJXDLYNJEPR-IAGOWNOFSA-N 0 0 315.413 3.557 10 0 DHAERN Cc1c(C(=O)N2CC=C(c3cccs3)CC2)cnn1C(C)C ZINC000092463877 337904441 /nfs/dbraw/zinc/90/44/41/337904441.db2.gz IETDYZSWDVYGIG-UHFFFAOYSA-N 0 0 315.442 3.763 10 0 DHAERN Cc1c(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)cnn1C(C)C ZINC000092499431 337905529 /nfs/dbraw/zinc/90/55/29/337905529.db2.gz VJCDBQGTEDLVLN-LBPRGKRZSA-N 0 0 303.381 3.711 10 0 DHAERN CCSc1ccc(Cl)cc1C(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000084076976 337999868 /nfs/dbraw/zinc/99/98/68/337999868.db2.gz QMWPSDXEBGTJTC-MFKMUULPSA-N 0 0 313.850 3.749 10 0 DHAERN C[C@@H]1CN(Cc2csc(CCc3ccccc3)n2)C[C@@H](C)O1 ZINC000084676675 338004454 /nfs/dbraw/zinc/00/44/54/338004454.db2.gz NEZYXOIKEKKMSB-HUUCEWRRSA-N 0 0 316.470 3.538 10 0 DHAERN O=C(c1cc(Cl)cc(Br)c1)N1C[C@H]2CCC[C@@H]21 ZINC000437254693 338304810 /nfs/dbraw/zinc/30/48/10/338304810.db2.gz XATHYBFPRQGLDB-PELKAZGASA-N 0 0 314.610 3.727 10 0 DHAERN CSC1(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)CCC1 ZINC000194774585 338746498 /nfs/dbraw/zinc/74/64/98/338746498.db2.gz USALCWAHCMZRMF-SNVBAGLBSA-N 0 0 314.401 3.611 10 0 DHAERN CC(C)(C)[C@H](O)COc1ccc(Br)cc1Cl ZINC000302832542 340283335 /nfs/dbraw/zinc/28/33/35/340283335.db2.gz JNNPMNWVOIZZBR-LLVKDONJSA-N 0 0 307.615 3.888 10 0 DHAERN C[C@H](NC(=O)NCCOc1ccccc1)c1ccc(Cl)cc1 ZINC000302902708 340285803 /nfs/dbraw/zinc/28/58/03/340285803.db2.gz UHVSMTFKZDEUBD-ZDUSSCGKSA-N 0 0 318.804 3.779 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1COc2ccccc21 ZINC000172914189 340348143 /nfs/dbraw/zinc/34/81/43/340348143.db2.gz MFBKTLRLEGOZKP-DYVFJYSZSA-N 0 0 313.372 3.644 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1COc2ccccc21 ZINC000172914178 340348239 /nfs/dbraw/zinc/34/82/39/340348239.db2.gz MFBKTLRLEGOZKP-CXAGYDPISA-N 0 0 313.372 3.644 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1cc(Cl)ccc1F ZINC000172952394 340349762 /nfs/dbraw/zinc/34/97/62/340349762.db2.gz XBWLQMWFMHYFLK-LBPRGKRZSA-N 0 0 321.779 3.814 10 0 DHAERN CC[C@@H](C(=O)N[C@@H](C)COCc1ccccc1)c1ccccc1 ZINC000172967119 340350410 /nfs/dbraw/zinc/35/04/10/340350410.db2.gz ZVZDYDFJJRZZMJ-QFBILLFUSA-N 0 0 311.425 3.902 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1c(F)cccc1Cl ZINC000172967519 340350444 /nfs/dbraw/zinc/35/04/44/340350444.db2.gz JUVIODJTOVHOJO-LBPRGKRZSA-N 0 0 321.779 3.814 10 0 DHAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@@H]1C ZINC000173153555 340359121 /nfs/dbraw/zinc/35/91/21/340359121.db2.gz AJBFJILWTLGFIY-VHSXEESVSA-N 0 0 302.201 3.772 10 0 DHAERN CCN(C(=O)N[C@@H](C)COCc1ccccc1)C1CCCC1 ZINC000173335744 340362806 /nfs/dbraw/zinc/36/28/06/340362806.db2.gz HDTFTYCJPVFSEE-HNNXBMFYSA-N 0 0 304.434 3.566 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000173374536 340363706 /nfs/dbraw/zinc/36/37/06/340363706.db2.gz XFTHBDUHZZQKOC-HOCLYGCPSA-N 0 0 302.418 3.588 10 0 DHAERN CCSCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000174534133 340391079 /nfs/dbraw/zinc/39/10/79/340391079.db2.gz AMPVNTGJKISYBG-MNOVXSKESA-N 0 0 316.417 3.857 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000175565711 340415221 /nfs/dbraw/zinc/41/52/21/340415221.db2.gz ZEWVEEYUZDVKCB-JTQLQIEISA-N 0 0 323.314 3.992 10 0 DHAERN COc1cccc2c1CC[C@@H]2NC(=O)N[C@H](C)c1cccs1 ZINC000177125294 340436409 /nfs/dbraw/zinc/43/64/09/340436409.db2.gz GKWZPMBIJNHGQV-RISCZKNCSA-N 0 0 316.426 3.804 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCCc2ccc(F)cc2C)o1 ZINC000087054723 340454467 /nfs/dbraw/zinc/45/44/67/340454467.db2.gz KNAJRJNQVKNWRF-CYBMUJFWSA-N 0 0 304.365 3.638 10 0 DHAERN CNC(=O)c1ccc(C)c(NC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)c1 ZINC000183031342 340486159 /nfs/dbraw/zinc/48/61/59/340486159.db2.gz VQZSYFCTKMMSIJ-IUODEOHRSA-N 0 0 316.445 3.756 10 0 DHAERN C[C@@H](NC(=O)C1=CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000184234019 340491457 /nfs/dbraw/zinc/49/14/57/340491457.db2.gz JHPAMJJBXFSICE-OAHLLOKOSA-N 0 0 307.393 3.878 10 0 DHAERN COc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2C)cc1OC ZINC000184665057 340494917 /nfs/dbraw/zinc/49/49/17/340494917.db2.gz VVLLCLVYMLJCIS-RDBSUJKOSA-N 0 0 305.418 3.707 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)ccc1C(F)(F)F ZINC000190794710 340547180 /nfs/dbraw/zinc/54/71/80/340547180.db2.gz CHGDXKKNUPZNPR-CMPLNLGQSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NCc2ccc3ncccc3c2)o1 ZINC000193931477 340585998 /nfs/dbraw/zinc/58/59/98/340585998.db2.gz DKJLNIRUHYQADG-CYBMUJFWSA-N 0 0 309.369 3.697 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2nc3cccnc3s2)cc1F ZINC000193984018 340587213 /nfs/dbraw/zinc/58/72/13/340587213.db2.gz NPNPISPCDDLMAO-SNVBAGLBSA-N 0 0 315.373 3.630 10 0 DHAERN COc1ccc([C@H](C)C(=O)NCc2ccc3ncccc3c2)cc1 ZINC000193992648 340587601 /nfs/dbraw/zinc/58/76/01/340587601.db2.gz UMCFMBFXUYKLBH-AWEZNQCLSA-N 0 0 320.392 3.663 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)N2CCCc3ccccc32)o1 ZINC000194021718 340588167 /nfs/dbraw/zinc/58/81/67/340588167.db2.gz RAYSWJCINNFMJJ-HUUCEWRRSA-N 0 0 312.413 3.607 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)[C@@H]1CCCCC1(C)C)C2 ZINC000194106675 340589117 /nfs/dbraw/zinc/58/91/17/340589117.db2.gz VVZQJFXBYAESDZ-AWEZNQCLSA-N 0 0 317.477 3.645 10 0 DHAERN C[C@H](NC(=O)Cc1cccc(Br)c1)c1cccs1 ZINC000194770270 340595873 /nfs/dbraw/zinc/59/58/73/340595873.db2.gz SZKLLSAEDXRZLN-JTQLQIEISA-N 0 0 324.243 3.931 10 0 DHAERN CC(C)(C)c1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000041117083 340709507 /nfs/dbraw/zinc/70/95/07/340709507.db2.gz MEDAXTRONYSCPX-IRXDYDNUSA-N 0 0 301.430 3.768 10 0 DHAERN COc1ccccc1CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000243403166 340713003 /nfs/dbraw/zinc/71/30/03/340713003.db2.gz MOFWJEBUDOISFA-HNNXBMFYSA-N 0 0 323.436 3.994 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)O1 ZINC000124908839 340801483 /nfs/dbraw/zinc/80/14/83/340801483.db2.gz QKLZPIGKBLJRGZ-SCLBCKFNSA-N 0 0 321.380 3.532 10 0 DHAERN CCCOc1ccc(NC(=O)N[C@H]2COc3ccccc32)cc1 ZINC000125426976 340804153 /nfs/dbraw/zinc/80/41/53/340804153.db2.gz FTWLMEGCQYWLHD-INIZCTEOSA-N 0 0 312.369 3.731 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)Cc3ccoc3)C2)n1 ZINC000126334207 340826227 /nfs/dbraw/zinc/82/62/27/340826227.db2.gz BXQXWQIJQFQAKY-AWEZNQCLSA-N 0 0 318.442 3.808 10 0 DHAERN CC(C)COc1ccc([C@H](C)NC(=O)NCc2ccco2)cc1 ZINC000127756705 340856037 /nfs/dbraw/zinc/85/60/37/340856037.db2.gz JEDDAHQRPRTDAR-AWEZNQCLSA-N 0 0 316.401 3.875 10 0 DHAERN COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)ccn1 ZINC000128243377 340862590 /nfs/dbraw/zinc/86/25/90/340862590.db2.gz QCKOQUYOXKBDHL-QZTJIDSGSA-N 0 0 324.424 3.634 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2ccc(O)cc2O)o1 ZINC000128530859 340893914 /nfs/dbraw/zinc/89/39/14/340893914.db2.gz QBNCMWDBKONDCA-OAHLLOKOSA-N 0 0 315.369 3.621 10 0 DHAERN COc1ccncc1NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000130660881 341037694 /nfs/dbraw/zinc/03/76/94/341037694.db2.gz VBERQEFSXUFDDF-HZPDHXFCSA-N 0 0 310.397 3.956 10 0 DHAERN COc1ccncc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130660272 341037762 /nfs/dbraw/zinc/03/77/62/341037762.db2.gz VBERQEFSXUFDDF-HOTGVXAUSA-N 0 0 310.397 3.956 10 0 DHAERN CC[C@H](C)OCC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000132905087 341149122 /nfs/dbraw/zinc/14/91/22/341149122.db2.gz SMORVBUTGSUGJU-HOCLYGCPSA-N 0 0 317.429 3.754 10 0 DHAERN C[C@H](NC(=O)Cc1ccc(O)cc1)c1ccc(F)c(Cl)c1 ZINC000133406655 341174789 /nfs/dbraw/zinc/17/47/89/341174789.db2.gz UHNZPSLKFWUAQD-JTQLQIEISA-N 0 0 307.752 3.605 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(Br)ccc1F ZINC000075374003 341175074 /nfs/dbraw/zinc/17/50/74/341175074.db2.gz HUJBHANWZZVGIS-PELKAZGASA-N 0 0 300.171 3.507 10 0 DHAERN CCC1CCC(NC(=O)CCCc2nc(C(C)(C)C)no2)CC1 ZINC000075561079 341178325 /nfs/dbraw/zinc/17/83/25/341178325.db2.gz JHZAFPODPHVYEC-UHFFFAOYSA-N 0 0 321.465 3.775 10 0 DHAERN CC[C@H](Cc1ccccc1Br)C(=O)N[C@@H]1C[C@@H]1C ZINC000133876693 341196336 /nfs/dbraw/zinc/19/63/36/341196336.db2.gz FZNMDABWUSRISD-MISXGVKJSA-N 0 0 310.235 3.542 10 0 DHAERN CC(C)[C@H](C)CNC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000076471257 341207977 /nfs/dbraw/zinc/20/79/77/341207977.db2.gz AHOTWFXEAVXYBK-CABCVRRESA-N 0 0 314.433 3.525 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)C[C@@H]2CCCO2)cc1 ZINC000076987204 341216632 /nfs/dbraw/zinc/21/66/32/341216632.db2.gz CKUASWVMZDLMNG-BZSNNMDCSA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2cccc(O)c2)cc1 ZINC000077613684 341227352 /nfs/dbraw/zinc/22/73/52/341227352.db2.gz AISORZHAWIDGTN-PMACEKPBSA-N 0 0 323.436 3.978 10 0 DHAERN Cc1cc2cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)oc2cc1C ZINC000079614324 341262062 /nfs/dbraw/zinc/26/20/62/341262062.db2.gz LFNRDEBSQKEHAG-CVEARBPZSA-N 0 0 313.397 3.833 10 0 DHAERN CCc1ncsc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000137971994 341286084 /nfs/dbraw/zinc/28/60/84/341286084.db2.gz LIYANZRLHCXBPI-MRVPVSSYSA-N 0 0 312.797 3.989 10 0 DHAERN C[C@H](CC(=O)N(C)[C@@H](C)C(=O)OC(C)(C)C)c1ccccc1F ZINC000081451706 341291210 /nfs/dbraw/zinc/29/12/10/341291210.db2.gz QGBQWKKSFMZCNM-OLZOCXBDSA-N 0 0 323.408 3.508 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/C=C/c1ccccc1 ZINC000081451788 341291216 /nfs/dbraw/zinc/29/12/16/341291216.db2.gz HQSHXPZRBOYJJX-BMQCOBNYSA-N 0 0 317.429 3.669 10 0 DHAERN COc1ccc2oc(CN3CCO[C@H]4CCCC[C@H]43)cc2c1 ZINC000245544866 341300863 /nfs/dbraw/zinc/30/08/63/341300863.db2.gz SSQHAYYKXHWQLR-AEFFLSMTSA-N 0 0 301.386 3.585 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1cc2ccccc2s1)[C@H]1CCCO1 ZINC000245930994 341318698 /nfs/dbraw/zinc/31/86/98/341318698.db2.gz PXAOPUZRAVOUJT-MBNYWOFBSA-N 0 0 318.442 3.829 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)O1)C(c1ccccc1)c1ccccc1 ZINC000246020809 341322099 /nfs/dbraw/zinc/32/20/99/341322099.db2.gz MJBOODXHOUIXGV-MDZRGWNJSA-N 0 0 323.436 3.891 10 0 DHAERN C[C@H]1C[C@H]1[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccc(Cl)cc1 ZINC000246083084 341324340 /nfs/dbraw/zinc/32/43/40/341324340.db2.gz UEISVRINSMLCGY-IQVWLFHZSA-N 0 0 307.821 3.721 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)s1 ZINC000246411803 341348007 /nfs/dbraw/zinc/34/80/07/341348007.db2.gz RLJOFTKUWFQGJS-DLOVCJGASA-N 0 0 322.380 3.711 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000246746335 341356705 /nfs/dbraw/zinc/35/67/05/341356705.db2.gz JIYJOYQZLRVEQT-ZCTGUTNYSA-N 0 0 305.368 3.859 10 0 DHAERN CSC[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246802660 341357207 /nfs/dbraw/zinc/35/72/07/341357207.db2.gz JCQPLLCAMKAYNY-UTUOFQBUSA-N 0 0 324.412 3.645 10 0 DHAERN CCS[C@@H]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(OC)cc2)C1 ZINC000246958621 341359132 /nfs/dbraw/zinc/35/91/32/341359132.db2.gz PCOMDTSRZSZHAR-UKPHBRMFSA-N 0 0 321.486 3.931 10 0 DHAERN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc2ccccc2c1 ZINC000249291273 341396091 /nfs/dbraw/zinc/39/60/91/341396091.db2.gz PQMDXFWZQOYHTE-RBSFLKMASA-N 0 0 312.413 3.720 10 0 DHAERN Cc1cc(C)c(NC(=O)CN2CCCc3c(N)cccc32)c(C)c1 ZINC000261932869 341509604 /nfs/dbraw/zinc/50/96/04/341509604.db2.gz SZFSCKRZMURHBT-UHFFFAOYSA-N 0 0 323.440 3.585 10 0 DHAERN CCC1CCC(NC(=O)c2cn(C)nc2-c2cccs2)CC1 ZINC000153054944 341522686 /nfs/dbraw/zinc/52/26/86/341522686.db2.gz AGQPVTPPWHTBLS-UHFFFAOYSA-N 0 0 317.458 3.847 10 0 DHAERN CN(Cc1cc(Cl)cn1C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000154065427 341584066 /nfs/dbraw/zinc/58/40/66/341584066.db2.gz JYXXETXPFXWPKL-JKSUJKDBSA-N 0 0 308.853 3.853 10 0 DHAERN COCCCCCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000154811768 341596369 /nfs/dbraw/zinc/59/63/69/341596369.db2.gz NRCMFWNNKVSJQU-WMLDXEAASA-N 0 0 304.434 3.741 10 0 DHAERN CC[C@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000155659080 341610835 /nfs/dbraw/zinc/61/08/35/341610835.db2.gz MVMWWQDSMCWBIW-JSGCOSHPSA-N 0 0 314.351 3.602 10 0 DHAERN O=C(Nc1cc(Br)ccn1)[C@H]1CCCCC1(F)F ZINC000336884121 341809818 /nfs/dbraw/zinc/80/98/18/341809818.db2.gz ANENHIOKRMHJJB-SECBINFHSA-N 0 0 319.149 3.608 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2cccs2)no1 ZINC000138943230 518808745 /nfs/dbraw/zinc/80/87/45/518808745.db2.gz AONOJVUSKYTTPN-JTQLQIEISA-N 0 0 321.402 3.870 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)NC(=O)Cc2cncs2)cc1 ZINC000187898250 519446097 /nfs/dbraw/zinc/44/60/97/519446097.db2.gz INDUFYAWTDYWSM-CYBMUJFWSA-N 0 0 302.443 3.762 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000124585448 519792118 /nfs/dbraw/zinc/79/21/18/519792118.db2.gz NISLGUZWIMDTDJ-DYVFJYSZSA-N 0 0 315.392 3.654 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCCCCO)cc1 ZINC000182296161 519839658 /nfs/dbraw/zinc/83/96/58/519839658.db2.gz SPHJXAUSTAISDB-ZWKOTPCHSA-N 0 0 303.446 3.582 10 0 DHAERN CCC1CCC(NC(=O)c2csc([C@H]3CCCO3)n2)CC1 ZINC000162886800 519856586 /nfs/dbraw/zinc/85/65/86/519856586.db2.gz NYAGMUNRZNNJOR-ORHYLEIMSA-N 0 0 308.447 3.693 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2Cc2c(F)cccc2F)no1 ZINC000127880119 519867206 /nfs/dbraw/zinc/86/72/06/519867206.db2.gz MBENNHHEFUCWNO-AWEZNQCLSA-N 0 0 307.344 3.808 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2Cc2cc(F)cc(F)c2)no1 ZINC000127756987 519867325 /nfs/dbraw/zinc/86/73/25/519867325.db2.gz JGRIKMSRATUGNY-AWEZNQCLSA-N 0 0 307.344 3.808 10 0 DHAERN CC(C)c1nnc(CN[C@H](C)c2ccccc2Br)o1 ZINC000181571567 519887648 /nfs/dbraw/zinc/88/76/48/519887648.db2.gz GFPSMQQVMOIHSZ-SNVBAGLBSA-N 0 0 324.222 3.806 10 0 DHAERN CC(C)c1nnc(CNc2ccccc2OC(C)(C)C)n1C ZINC000172284485 519888452 /nfs/dbraw/zinc/88/84/52/519888452.db2.gz CXZDVKYGMFIYSY-UHFFFAOYSA-N 0 0 302.422 3.728 10 0 DHAERN CCN(C(=O)C1CCC(C(=O)OC)CC1)c1cc(C)ccc1C ZINC000180148545 519900654 /nfs/dbraw/zinc/90/06/54/519900654.db2.gz KTLNMEPXMUJNCJ-UHFFFAOYSA-N 0 0 317.429 3.636 10 0 DHAERN CC(C)n1ccnc1CNc1cc(F)ccc1Br ZINC000124778973 520035119 /nfs/dbraw/zinc/03/51/19/520035119.db2.gz TXAYAFWUCXHUBU-UHFFFAOYSA-N 0 0 312.186 3.978 10 0 DHAERN CCOc1ccc(-c2nc(CN3CCS[C@@H](C)C3)co2)cc1 ZINC000159844894 520817552 /nfs/dbraw/zinc/81/75/52/520817552.db2.gz CQCBDUHWMNGHOJ-ZDUSSCGKSA-N 0 0 318.442 3.678 10 0 DHAERN CCCC[C@H](NCc1nnc(C)n1CC)c1ccc(OC)cc1 ZINC000182140325 521241863 /nfs/dbraw/zinc/24/18/63/521241863.db2.gz GUUYUNAPMJWZDH-KRWDZBQOSA-N 0 0 316.449 3.636 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCCO[C@@H]1C ZINC000191669192 521312226 /nfs/dbraw/zinc/31/22/26/521312226.db2.gz KZYUTULOEZPZHS-PWSUYJOCSA-N 0 0 301.839 3.565 10 0 DHAERN CCC(CC)(CC)[S@](=O)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000190570198 521404870 /nfs/dbraw/zinc/40/48/70/521404870.db2.gz OPRJTBMMTGSZJV-SMASLZHESA-N 0 0 323.502 3.970 10 0 DHAERN CCCc1ccccc1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000158712440 521439110 /nfs/dbraw/zinc/43/91/10/521439110.db2.gz AIAPZROUGXPIGG-LPHOPBHVSA-N 0 0 316.445 3.798 10 0 DHAERN CCCc1ccccc1NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000158712302 521439425 /nfs/dbraw/zinc/43/94/25/521439425.db2.gz AIAPZROUGXPIGG-QFBILLFUSA-N 0 0 316.445 3.798 10 0 DHAERN CCCn1c(C)nnc1CN1CCCC[C@H]1c1ccc(C)o1 ZINC000159298742 521622782 /nfs/dbraw/zinc/62/27/82/521622782.db2.gz PBSINRBEEBMUTL-HNNXBMFYSA-N 0 0 302.422 3.625 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)N[C@@H](C)C(C)C)C2)n1 ZINC000113578189 522117279 /nfs/dbraw/zinc/11/72/79/522117279.db2.gz COJMEZVAPCOMEN-STQMWFEESA-N 0 0 309.479 3.639 10 0 DHAERN COC[C@@H](C)C(=O)NCc1ccccc1Sc1ccccc1 ZINC000107196672 522175028 /nfs/dbraw/zinc/17/50/28/522175028.db2.gz QFAAERMRJOWWPH-CQSZACIVSA-N 0 0 315.438 3.737 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(C)cc1-c1nc2ccccc2[nH]1 ZINC000110243762 522554716 /nfs/dbraw/zinc/55/47/16/522554716.db2.gz OKFJCDJSOIFTDE-ZDUSSCGKSA-N 0 0 323.396 3.759 10 0 DHAERN CN(CCC1CCOCC1)C(=O)N[C@H]1CCCc2ccccc21 ZINC000161696464 522713821 /nfs/dbraw/zinc/71/38/21/522713821.db2.gz OLFWXVUYDFWTMV-SFHVURJKSA-N 0 0 316.445 3.522 10 0 DHAERN CCc1nnc(CN[C@H](c2ccc(Cl)cc2F)C(C)C)n1C ZINC000180260940 522747553 /nfs/dbraw/zinc/74/75/53/522747553.db2.gz NOMLDLYUXXPYQU-INIZCTEOSA-N 0 0 324.831 3.657 10 0 DHAERN CCc1nnc(CS[C@H](C)c2nc3ccccc3o2)n1C ZINC000183294019 522753950 /nfs/dbraw/zinc/75/39/50/522753950.db2.gz ZHVDYNHDZCQPHS-SNVBAGLBSA-N 0 0 302.403 3.513 10 0 DHAERN CC[C@@H](NCc1nnc(C2CC2)n1C)c1cccc(Cl)c1 ZINC000182584434 522899128 /nfs/dbraw/zinc/89/91/28/522899128.db2.gz ZDLIVVCKNJWEDB-CQSZACIVSA-N 0 0 304.825 3.587 10 0 DHAERN COC(=O)C1CCC(C(=O)Nc2cccc3ccccc32)CC1 ZINC000180106997 522904964 /nfs/dbraw/zinc/90/49/64/522904964.db2.gz FXJUUEBLHCIDNH-UHFFFAOYSA-N 0 0 311.381 3.758 10 0 DHAERN COCC1=CCN(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000188192059 522917939 /nfs/dbraw/zinc/91/79/39/522917939.db2.gz GHNVSWYARJKCCT-OAHLLOKOSA-N 0 0 316.445 3.859 10 0 DHAERN COCc1ccc(CN2CCC[C@@H]2c2noc(C(C)C)n2)cc1 ZINC000127798068 522972646 /nfs/dbraw/zinc/97/26/46/522972646.db2.gz ABNWVZAJBNFWFN-MRXNPFEDSA-N 0 0 315.417 3.677 10 0 DHAERN CC[C@@H](OC(=O)[C@H]1CCCN(C(C)=O)C1)c1cccc(Cl)c1 ZINC000176621577 523015629 /nfs/dbraw/zinc/01/56/29/523015629.db2.gz IQPPTULAASJRJP-GOEBONIOSA-N 0 0 323.820 3.593 10 0 DHAERN COCCC1(CNC(=O)N[C@H](C)c2cccs2)CCCC1 ZINC000177882430 523046600 /nfs/dbraw/zinc/04/66/00/523046600.db2.gz JABQALRROBBSIA-CYBMUJFWSA-N 0 0 310.463 3.705 10 0 DHAERN COCCC1(CNC(=O)[C@H](C)c2ccc(OC)cc2)CCCC1 ZINC000133047748 523055264 /nfs/dbraw/zinc/05/52/64/523055264.db2.gz AYVQJQNZTXSGEZ-OAHLLOKOSA-N 0 0 319.445 3.512 10 0 DHAERN CCc1sc([C@H](C)Nc2ncccc2C(=O)NC)cc1C ZINC000157774196 523077889 /nfs/dbraw/zinc/07/78/89/523077889.db2.gz FHPDZKLISGZCNB-NSHDSACASA-N 0 0 303.431 3.547 10 0 DHAERN COCc1noc([C@@H](C)N[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008512 523269265 /nfs/dbraw/zinc/26/92/65/523269265.db2.gz LHAPERQULMRIJO-CHWSQXEVSA-N 0 0 303.406 3.751 10 0 DHAERN COCc1noc([C@@H](C)N[C@H](C)c2ccc3ccccc3c2)n1 ZINC000183008310 523270695 /nfs/dbraw/zinc/27/06/95/523270695.db2.gz OSTXHSMYBYKDHR-CHWSQXEVSA-N 0 0 311.385 3.781 10 0 DHAERN COCc1noc([C@H](C)N[C@@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008501 523275266 /nfs/dbraw/zinc/27/52/66/523275266.db2.gz LHAPERQULMRIJO-STQMWFEESA-N 0 0 303.406 3.751 10 0 DHAERN CCn1cc([C@H]2CN([C@@H](C)c3cccc(Cl)c3)CCO2)cn1 ZINC000190768091 523482384 /nfs/dbraw/zinc/48/23/84/523482384.db2.gz SHMKDDCFKHDAEO-SUMWQHHRSA-N 0 0 319.836 3.691 10 0 DHAERN CCc1cc2c(ncnc2N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 ZINC000156753414 523848502 /nfs/dbraw/zinc/84/85/02/523848502.db2.gz KCJWUWVMKFOJQM-YUTCNCBUSA-N 0 0 317.458 3.503 10 0 DHAERN CCc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)c(O)c1 ZINC000191053604 523883546 /nfs/dbraw/zinc/88/35/46/523883546.db2.gz NAYKRJOCUBZXLG-CQSZACIVSA-N 0 0 316.426 3.779 10 0 DHAERN CN(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000130456366 524024145 /nfs/dbraw/zinc/02/41/45/524024145.db2.gz ZINNUPCRIBCDCV-IAGOWNOFSA-N 0 0 314.429 3.543 10 0 DHAERN CN(C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000130456707 524024452 /nfs/dbraw/zinc/02/44/52/524024452.db2.gz ZINNUPCRIBCDCV-DLBZAZTESA-N 0 0 314.429 3.543 10 0 DHAERN COc1ccc(CN2CCCC[C@@H]2c2nccs2)c(OC)c1 ZINC000127617931 524026398 /nfs/dbraw/zinc/02/63/98/524026398.db2.gz FPFOPWJLSKSBTC-OAHLLOKOSA-N 0 0 318.442 3.888 10 0 DHAERN CCc1cccc(C)c1NC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000151576736 524064538 /nfs/dbraw/zinc/06/45/38/524064538.db2.gz SWCZXXNHWYSHEW-LPHOPBHVSA-N 0 0 316.445 3.716 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000189431402 524206157 /nfs/dbraw/zinc/20/61/57/524206157.db2.gz CGYKSYRLXPKIGH-NUJGCVRESA-N 0 0 301.430 3.782 10 0 DHAERN COc1ccccc1-c1noc(-c2cnn(CC(C)C)c2C)n1 ZINC000158158722 524291392 /nfs/dbraw/zinc/29/13/92/524291392.db2.gz BQVONJGWOCEQQD-UHFFFAOYSA-N 0 0 312.373 3.573 10 0 DHAERN C[C@@H]1CC[C@@H](NC(=O)N(C)C[C@@H]2CCCOC2)c2ccccc21 ZINC000153170545 524608739 /nfs/dbraw/zinc/60/87/39/524608739.db2.gz VLLDGJSQLRGIHW-RVKKMQEKSA-N 0 0 316.445 3.693 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000180499414 524850002 /nfs/dbraw/zinc/85/00/02/524850002.db2.gz LNSMACPTPWKMRC-WKEGUHRASA-N 0 0 322.124 3.606 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2ccc(NC(N)=O)cc2)CC(C)(C)C1 ZINC000182997068 524870005 /nfs/dbraw/zinc/87/00/05/524870005.db2.gz FKLREHZVADXFPJ-RYUDHWBXSA-N 0 0 303.406 3.578 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000191641255 525015233 /nfs/dbraw/zinc/01/52/33/525015233.db2.gz HISMQZIXWAPEKT-CJNGLKHVSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000190786152 525016075 /nfs/dbraw/zinc/01/60/75/525016075.db2.gz YLUWZDFELILMPT-CXAGYDPISA-N 0 0 312.369 3.628 10 0 DHAERN Cc1ccccc1C1CCN(C(=O)[C@@H]2CCCO[C@@H]2C)CC1 ZINC000191398278 525091048 /nfs/dbraw/zinc/09/10/48/525091048.db2.gz MIYWWAHGQDEAPZ-CRAIPNDOSA-N 0 0 301.430 3.516 10 0 DHAERN C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1cccs1 ZINC000172050670 525128923 /nfs/dbraw/zinc/12/89/23/525128923.db2.gz XVRCFQXZLWWHNX-DOMZBBRYSA-N 0 0 301.411 3.629 10 0 DHAERN Cc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)cnc1Cl ZINC000186497882 525175518 /nfs/dbraw/zinc/17/55/18/525175518.db2.gz LWBLSQNWEOLWDP-ZDUSSCGKSA-N 0 0 319.796 3.526 10 0 DHAERN C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)[C@@H]1CCCO1 ZINC000103307004 525187754 /nfs/dbraw/zinc/18/77/54/525187754.db2.gz CIEUCORVGUMMSA-DOMZBBRYSA-N 0 0 322.836 3.586 10 0 DHAERN C[C@@H](NC(=O)NC1(c2ccc(Cl)cc2)CCC1)[C@H]1CCCO1 ZINC000103307006 525187808 /nfs/dbraw/zinc/18/78/08/525187808.db2.gz CIEUCORVGUMMSA-IUODEOHRSA-N 0 0 322.836 3.586 10 0 DHAERN COc1ccc([C@H](C)C(=O)NC[C@H](C)Cc2cccs2)cc1 ZINC000156362661 525289795 /nfs/dbraw/zinc/28/97/95/525289795.db2.gz YXEZGDLJDJKEAI-KGLIPLIRSA-N 0 0 317.454 3.855 10 0 DHAERN Cc1ccccc1SCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113893625 525335537 /nfs/dbraw/zinc/33/55/37/525335537.db2.gz VQBDQWXTFOSHTL-OAHLLOKOSA-N 0 0 315.442 3.564 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N(C)Cc2nccn2C(F)F)CC(C)(C)C1 ZINC000183128590 525359314 /nfs/dbraw/zinc/35/93/14/525359314.db2.gz WGXIGCUBHFXGND-NEPJUHHUSA-N 0 0 313.392 3.699 10 0 DHAERN Cc1ccccc1[C@H](C)NCc1nc([C@@H](C)OCC(C)C)no1 ZINC000181545291 525417978 /nfs/dbraw/zinc/41/79/78/525417978.db2.gz RBCXDDVHJQAICI-LSDHHAIUSA-N 0 0 317.433 3.962 10 0 DHAERN Cc1cccnc1COC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000180327241 525527863 /nfs/dbraw/zinc/52/78/63/525527863.db2.gz ZWDSWDYDLVRORU-QWHCGFSZSA-N 0 0 303.308 3.515 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)N1CCC[C@@H]1c1ccccc1Cl ZINC000189086131 525555838 /nfs/dbraw/zinc/55/58/38/525555838.db2.gz LULXUGPGCKURMS-HEHGZKQESA-N 0 0 307.821 3.819 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000190786169 525558801 /nfs/dbraw/zinc/55/88/01/525558801.db2.gz YLUWZDFELILMPT-SUMWQHHRSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000191128086 525559529 /nfs/dbraw/zinc/55/95/29/525559529.db2.gz XLFCUVKTIUGHOS-JOYOIKCWSA-N 0 0 301.358 3.755 10 0 DHAERN CSC[C@@H](C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129998443 525611995 /nfs/dbraw/zinc/61/19/95/525611995.db2.gz MKCFKDIDTQGTEE-UKRRQHHQSA-N 0 0 319.470 3.938 10 0 DHAERN Cc1nc(/C=C/c2nnc([C@H]3CCO[C@@H]3C(C)(C)C)o2)cs1 ZINC000299747960 534868428 /nfs/dbraw/zinc/86/84/28/534868428.db2.gz FOKHYEKBIJMFBT-GSKXSAQWSA-N 0 0 319.430 3.924 10 0 DHAERN Cc1cc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)oc2cc1C ZINC000173059754 525635453 /nfs/dbraw/zinc/63/54/53/525635453.db2.gz WXZYZZXSEAAAPE-MRXNPFEDSA-N 0 0 323.396 3.760 10 0 DHAERN CSC[C@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000066758551 525671287 /nfs/dbraw/zinc/67/12/87/525671287.db2.gz TZDUJAZJBCFDNX-UWVGGRQHSA-N 0 0 316.264 3.625 10 0 DHAERN Cc1ccc([C@@H](C)NCc2noc(-c3ccc(F)cc3F)n2)o1 ZINC000189190038 525736231 /nfs/dbraw/zinc/73/62/31/525736231.db2.gz MKGQDOVMLYRDCQ-SNVBAGLBSA-N 0 0 319.311 3.767 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](C)C2CCOCC2)o1 ZINC000153278908 525799958 /nfs/dbraw/zinc/79/99/58/525799958.db2.gz WPMLQACPSPSDLJ-HOCLYGCPSA-N 0 0 305.418 3.704 10 0 DHAERN Cc1ccc([C@H](C)NCc2cnn(Cc3ccc(F)cc3)c2)o1 ZINC000188998853 525929788 /nfs/dbraw/zinc/92/97/88/525929788.db2.gz UPMMZBVHTJTKIV-AWEZNQCLSA-N 0 0 313.376 3.823 10 0 DHAERN Cc1c2ccccc2oc1C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113888199 525977769 /nfs/dbraw/zinc/97/77/69/525977769.db2.gz NVDBRPMZZFLTPF-HNNXBMFYSA-N 0 0 309.369 3.832 10 0 DHAERN C[C@H](SCc1nnc(C2CC2)n1C)c1nc2ccccc2o1 ZINC000183293206 525983922 /nfs/dbraw/zinc/98/39/22/525983922.db2.gz SZNCQUZRBKOYDY-JTQLQIEISA-N 0 0 314.414 3.828 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)[C@H](C)c2c(C)n[nH]c2C)o1 ZINC000131939786 525992880 /nfs/dbraw/zinc/99/28/80/525992880.db2.gz YADPNZDFFPIEHG-IUODEOHRSA-N 0 0 315.417 3.785 10 0 DHAERN CSc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000116355492 526052658 /nfs/dbraw/zinc/05/26/58/526052658.db2.gz GKDOVZCMNHROMB-AWEZNQCLSA-N 0 0 323.439 3.527 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C3CCC(C)(C)CC3)C2)c1 ZINC000158191718 526265814 /nfs/dbraw/zinc/26/58/14/526265814.db2.gz OZBGJOMYAXUOET-MRXNPFEDSA-N 0 0 303.450 3.571 10 0 DHAERN Cc1csc(-c2ccc(NC(=O)[C@@H]3CCCO[C@@H]3C)cc2)n1 ZINC000190980645 526302011 /nfs/dbraw/zinc/30/20/11/526302011.db2.gz IACMTHPOPOUZPC-IUODEOHRSA-N 0 0 316.426 3.872 10 0 DHAERN Cc1nnc(N[C@H]2CCc3cc(Br)ccc32)s1 ZINC000226142612 526375108 /nfs/dbraw/zinc/37/51/08/526375108.db2.gz QYZAIIWGGUAERG-NSHDSACASA-N 0 0 310.220 3.708 10 0 DHAERN O=C(NCCc1ccc(Cl)nc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000151090910 526406463 /nfs/dbraw/zinc/40/64/63/526406463.db2.gz DNJCRIWIRFGQQW-GJZGRUSLSA-N 0 0 306.837 3.610 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Nc3ccsc3)C2)n1 ZINC000157254414 526442827 /nfs/dbraw/zinc/44/28/27/526442827.db2.gz FKQUHLYBUJYISX-NSHDSACASA-N 0 0 307.444 3.925 10 0 DHAERN O=C(Oc1ccccc1-c1nnco1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000179796672 526447593 /nfs/dbraw/zinc/44/75/93/526447593.db2.gz WKXFKKRTHMHPHT-LSDHHAIUSA-N 0 0 312.369 3.858 10 0 DHAERN O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCc2sccc2C1 ZINC000171737664 526501140 /nfs/dbraw/zinc/50/11/40/526501140.db2.gz VXNYTZFYANPSJT-CHWSQXEVSA-N 0 0 319.376 3.715 10 0 DHAERN O=C(NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000156680668 526626626 /nfs/dbraw/zinc/62/66/26/526626626.db2.gz LCFXFRATHNMPDX-RISCZKNCSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(c1cc2c(s1)CCCC2)N1CCCC[C@H]1c1cn[nH]c1 ZINC000113886332 526634300 /nfs/dbraw/zinc/63/43/00/526634300.db2.gz MULVZQWOMGSVMA-AWEZNQCLSA-N 0 0 315.442 3.717 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2C[C@H]2c2ccco2)n1 ZINC000299739317 526740966 /nfs/dbraw/zinc/74/09/66/526740966.db2.gz NGOFLATUCIXPTA-OPDFLTKYSA-N 0 0 302.374 3.852 10 0 DHAERN O=C(N[C@H]1CCCc2ccccc21)c1cccnc1C(F)(F)F ZINC000188338794 527041157 /nfs/dbraw/zinc/04/11/57/527041157.db2.gz YWXVBPLTBGFQDO-AWEZNQCLSA-N 0 0 320.314 3.908 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180187686 527189936 /nfs/dbraw/zinc/18/99/36/527189936.db2.gz DNFGYPYSEYULFS-CVEARBPZSA-N 0 0 316.836 3.816 10 0 DHAERN O=C(Nc1ccc2c[nH]nc2c1)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000171028065 527294743 /nfs/dbraw/zinc/29/47/43/527294743.db2.gz VWBAKIMTSMPLPY-AEFFLSMTSA-N 0 0 321.380 3.669 10 0 DHAERN O=C(Nc1cccc2ccccc21)N1CCC[C@@H]1Cn1ccnc1 ZINC000176343616 527383012 /nfs/dbraw/zinc/38/30/12/527383012.db2.gz SNMIDMAVUHYJKC-MRXNPFEDSA-N 0 0 320.396 3.733 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)c1ccccc1Cl ZINC000158126621 527506914 /nfs/dbraw/zinc/50/69/14/527506914.db2.gz JSMBSLUSWBEJAQ-INIZCTEOSA-N 0 0 300.789 3.730 10 0 DHAERN Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000113014480 527690525 /nfs/dbraw/zinc/69/05/25/527690525.db2.gz YBEPXVVMRCLNBF-CQSZACIVSA-N 0 0 319.408 3.887 10 0 DHAERN CCOc1nc(Cl)nc(Nc2cccc(C(F)(F)F)c2)n1 ZINC000061515893 563479967 /nfs/dbraw/zinc/47/99/67/563479967.db2.gz SVCTYKPQZVOARW-UHFFFAOYSA-N 0 0 318.686 3.686 10 0 DHAERN Cc1nccn1C[C@@H]1CCc2c(c3cccc4c3n2CCC4)C1=O ZINC000000001149 560176492 /nfs/dbraw/zinc/17/64/92/560176492.db2.gz NCNFDKWULDWJDS-HNNXBMFYSA-N 0 0 319.408 3.538 10 0 in-vitro DHAERN Brc1ccc([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000712581983 563323071 /nfs/dbraw/zinc/32/30/71/563323071.db2.gz QVAPOLREQRPCBC-JTQLQIEISA-N 0 0 300.246 3.807 10 0 DHAERN COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C)ccc2C)c1 ZINC000003478954 563325372 /nfs/dbraw/zinc/32/53/72/563325372.db2.gz DTERNOJXVMNHJW-JXMROGBWSA-N 0 0 311.381 3.973 10 0 DHAERN CC(C)(C)C(=O)C[C@@](O)(c1ccccc1)C(F)(F)C(F)F ZINC000002903113 563355984 /nfs/dbraw/zinc/35/59/84/563355984.db2.gz WWIOLTWSDLMDMH-CQSZACIVSA-N 0 0 306.299 3.780 10 0 DHAERN C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)OC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000000001860 563459342 /nfs/dbraw/zinc/45/93/42/563459342.db2.gz QSLJIVKCVHQPLV-LHGYKDIASA-N 0 0 306.446 3.543 10 0 DHAERN C[N@H+](Cc1ccc2ccccc2n1)Cc1ccccc1C(=O)[O-] ZINC000067886534 563492957 /nfs/dbraw/zinc/49/29/57/563492957.db2.gz DSZPBGWJJMZHKB-UHFFFAOYSA-N 0 0 306.365 3.565 10 0 DHAERN Cc1nn(C(C)C)cc1NCc1cc(O)ccc1Br ZINC000725242623 563525408 /nfs/dbraw/zinc/52/54/08/563525408.db2.gz NHXXXUUMRFOVLU-UHFFFAOYSA-N 0 0 324.222 3.853 10 0 DHAERN CC[C@@H](C)c1nc2cc(C(F)F)cc(Br)n2n1 ZINC000725248415 563526890 /nfs/dbraw/zinc/52/68/90/563526890.db2.gz UNCSILRAMIWFRR-ZCFIWIBFSA-N 0 0 304.138 3.943 10 0 DHAERN CCc1c(C)cc2nc(CC(C)(C)C)nn2c1Br ZINC000725248288 563526969 /nfs/dbraw/zinc/52/69/69/563526969.db2.gz QDPZJEWOCCLEHJ-UHFFFAOYSA-N 0 0 310.239 3.951 10 0 DHAERN CC1CCN(c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 ZINC000226253759 563913359 /nfs/dbraw/zinc/91/33/59/563913359.db2.gz FTRDTQXUPCIUBU-UHFFFAOYSA-N 0 0 323.440 3.686 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2cccc(F)c2)cc1N ZINC000226266832 563913636 /nfs/dbraw/zinc/91/36/36/563913636.db2.gz WQLNBKCLNVXFBB-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN CCCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1C ZINC000226287510 563913779 /nfs/dbraw/zinc/91/37/79/563913779.db2.gz BJUWZKRUKWOKCX-UHFFFAOYSA-N 0 0 308.381 3.894 10 0 DHAERN CSCCSCC(=O)c1cccc(Br)c1 ZINC000320330008 563924908 /nfs/dbraw/zinc/92/49/08/563924908.db2.gz IEHYXTYWSCQMNK-UHFFFAOYSA-N 0 0 305.262 3.728 10 0 DHAERN c1ccc(Cc2noc([C@H]3OCC[C@H]3c3ccccc3)n2)cc1 ZINC000328626985 563929993 /nfs/dbraw/zinc/92/99/93/563929993.db2.gz MIEMPVYESRNVRM-WMZOPIPTSA-N 0 0 306.365 3.906 10 0 DHAERN FC(F)(F)c1nc(-c2ccncc2)sc1Br ZINC000616576030 563961611 /nfs/dbraw/zinc/96/16/11/563961611.db2.gz FEIMMPYZGCADBT-UHFFFAOYSA-N 0 0 309.110 3.986 10 0 DHAERN Cc1ccc(Cl)cc1N1CCN(c2ccc(F)cc2N)CC1 ZINC000020135556 563961678 /nfs/dbraw/zinc/96/16/78/563961678.db2.gz OYLVRJLICOUVQB-UHFFFAOYSA-N 0 0 319.811 3.696 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CCc1cc(Cl)cc(Cl)c1 ZINC000722136144 955193537 /nfs/dbraw/zinc/19/35/37/955193537.db2.gz QYBXKCXRROHRPV-PWSUYJOCSA-N 0 0 316.228 3.721 10 0 DHAERN C[C@H]1CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000722138057 955194298 /nfs/dbraw/zinc/19/42/98/955194298.db2.gz FRZFPGPZCPAMMC-IINYFYTJSA-N 0 0 316.228 3.579 10 0 DHAERN O=C([O-])CCC1CC[NH+]([C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000127963202 958625187 /nfs/dbraw/zinc/62/51/87/958625187.db2.gz JSPWUBBZHOMZAQ-MRXNPFEDSA-N 0 0 307.821 3.904 10 0 DHAERN CCCC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)[O-] ZINC000233037707 960312078 /nfs/dbraw/zinc/31/20/78/960312078.db2.gz FMTLPZWSJSBCQO-GXFFZTMASA-N 0 0 314.223 3.743 10 0 DHAERN CCC(CC)(C[NH2+][C@@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000263085861 962232489 /nfs/dbraw/zinc/23/24/89/962232489.db2.gz SNCCMQUUBLWNPA-MRXNPFEDSA-N 0 0 305.418 3.553 10 0 DHAERN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000308351382 963267976 /nfs/dbraw/zinc/26/79/76/963267976.db2.gz QUBMUSUPPRQGNY-NSHDSACASA-N 0 0 301.839 3.724 10 0 DHAERN C[C@H]1CC(C(=O)Nc2cc(C(C)(C)C)ccc2O)C[C@H](C)O1 ZINC000093093589 1014823829 /nfs/dbraw/zinc/82/38/29/1014823829.db2.gz XZPAAUMLOFLJRF-RYUDHWBXSA-N 0 0 305.418 3.832 10 0 DHAERN CC(C)(C)n1cc(CN2CC=C(c3cccs3)CC2)cn1 ZINC000093533844 1032543136 /nfs/dbraw/zinc/54/31/36/1032543136.db2.gz XTUKGMZSQHVIDZ-UHFFFAOYSA-N 0 0 301.459 3.989 10 0 DHAERN Cc1ccc([C@H]2CN(Cc3cnc(CC(C)C)s3)CCO2)o1 ZINC000093865182 1032563044 /nfs/dbraw/zinc/56/30/44/1032563044.db2.gz FIORHTWGWZYYEZ-MRXNPFEDSA-N 0 0 320.458 3.817 10 0 DHAERN O=C(CSc1ccccn1)N1CCC[C@@H]1c1cccs1 ZINC000048397520 1025657455 /nfs/dbraw/zinc/65/74/55/1025657455.db2.gz BDFQSDGOPIPULB-GFCCVEGCSA-N 0 0 304.440 3.599 10 0 DHAERN O=C(Cc1cccc(Cl)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000067048328 1030523445 /nfs/dbraw/zinc/52/34/45/1030523445.db2.gz RZJNBBRKTSUTPP-CYBMUJFWSA-N 0 0 320.845 3.745 10 0 DHAERN Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000080753850 1031442146 /nfs/dbraw/zinc/44/21/46/1031442146.db2.gz BJSOQXGLRCQLJF-CVEARBPZSA-N 0 0 316.380 3.636 10 0 DHAERN Cc1nc(CN2C[C@H](c3ccccc3)OCC2(C)C)cs1 ZINC000076726213 185036017 /nfs/dbraw/zinc/03/60/17/185036017.db2.gz BSYRUGCZJSZXAN-MRXNPFEDSA-N 0 0 302.443 3.804 10 0 DHAERN O=Cc1ccc(Br)cc1OCCCC(F)(F)F ZINC000095704620 185383285 /nfs/dbraw/zinc/38/32/85/185383285.db2.gz DZEFFUAQHDONET-UHFFFAOYSA-N 0 0 311.097 3.983 10 0 DHAERN CC(C)(C)c1cc(OC2CC2)cc(I)n1 ZINC000095722778 185383377 /nfs/dbraw/zinc/38/33/77/185383377.db2.gz VAZUVCIAWJLRKJ-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)(C)c1cncc(I)c1OC1CC1 ZINC000095727851 185383490 /nfs/dbraw/zinc/38/34/90/185383490.db2.gz FMXIGPBQTCXMMU-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN Cc1nn(C)cc1[C@H](C)Nc1cc(Br)ccc1C ZINC000087408350 185224073 /nfs/dbraw/zinc/22/40/73/185224073.db2.gz JPPNZLSLHHTFGM-JTQLQIEISA-N 0 0 308.223 3.973 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccc(Cl)cc1 ZINC000088559932 185257882 /nfs/dbraw/zinc/25/78/82/185257882.db2.gz PHIPLCSUYCYSCL-FZMZJTMJSA-N 0 0 304.825 3.680 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1oc2ccccc2c1C ZINC000090225119 185287576 /nfs/dbraw/zinc/28/75/76/185287576.db2.gz OLMPMMKINQOZCA-SWLSCSKDSA-N 0 0 310.401 3.827 10 0 DHAERN CCC[C@@H](N[C@@H]1CCCn2nc(C)nc21)c1ccc(OC)cc1 ZINC000090225562 185287599 /nfs/dbraw/zinc/28/75/99/185287599.db2.gz FMXNZVFOLQKACM-IAGOWNOFSA-N 0 0 314.433 3.561 10 0 DHAERN COC(=O)c1ncoc1-c1ccc(OCc2ccccc2)cc1 ZINC000090513775 185299889 /nfs/dbraw/zinc/29/98/89/185299889.db2.gz RHHWHEZTMHSBOO-UHFFFAOYSA-N 0 0 309.321 3.707 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3cc(Cl)ccc3F)C2)no1 ZINC000092814148 185343365 /nfs/dbraw/zinc/34/33/65/185343365.db2.gz XRDRDYSKLBONJL-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN Cc1nc(C[C@@H]2CCCN(Cc3cccc(Cl)c3F)C2)no1 ZINC000092814267 185343251 /nfs/dbraw/zinc/34/32/51/185343251.db2.gz BESONSBSFZHXCC-LBPRGKRZSA-N 0 0 323.799 3.625 10 0 DHAERN CCN(C(=O)C(C)C)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 ZINC000095396145 185352798 /nfs/dbraw/zinc/35/27/98/185352798.db2.gz VHBAZZMLHDDXDF-LJQANCHMSA-N 0 0 324.424 3.610 10 0 DHAERN COC[C@@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000103385103 185449204 /nfs/dbraw/zinc/44/92/04/185449204.db2.gz FFLIANPRIVFQGX-NEPJUHHUSA-N 0 0 318.442 3.578 10 0 DHAERN O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccccc2N1 ZINC000064256503 190702586 /nfs/dbraw/zinc/70/25/86/190702586.db2.gz AICXXOPRWCPOEG-CQSZACIVSA-N 0 0 306.287 3.681 10 0 DHAERN NC(=O)CCc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000226345247 201776244 /nfs/dbraw/zinc/77/62/44/201776244.db2.gz ZFHPKJKDLJMQCI-UHFFFAOYSA-N 0 0 324.207 3.990 10 0 DHAERN NC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000226333494 201776874 /nfs/dbraw/zinc/77/68/74/201776874.db2.gz ZDKCWYLYPCSQFK-XBXARRHUSA-N 0 0 305.736 3.557 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@@H]2CCOc3ccccc32)o1 ZINC000108883724 185538717 /nfs/dbraw/zinc/53/87/17/185538717.db2.gz FPGNWOCSHZPKOA-KBPBESRZSA-N 0 0 314.385 3.515 10 0 DHAERN CCc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)[O-])cc1 ZINC000083434145 192371662 /nfs/dbraw/zinc/37/16/62/192371662.db2.gz RDTNEPFXZDGUNV-RBUKOAKNSA-N 0 0 309.409 3.549 10 0 DHAERN N[C@H]1c2cc(Cl)ccc2N(Cc2ccccc2Cl)C1=O ZINC000139548334 186022920 /nfs/dbraw/zinc/02/29/20/186022920.db2.gz KPRUCLVOTGICGK-AWEZNQCLSA-N 0 0 307.180 3.540 10 0 DHAERN Brc1ccccc1-n1nccc1-c1cccnc1 ZINC000072190559 191073846 /nfs/dbraw/zinc/07/38/46/191073846.db2.gz FIGNSWVZHKRLFK-UHFFFAOYSA-N 0 0 300.159 3.697 10 0 DHAERN FC(F)(F)c1ccccc1-c1ccc(Br)nn1 ZINC000072204652 191076827 /nfs/dbraw/zinc/07/68/27/191076827.db2.gz FSFRKERNOGOLKW-UHFFFAOYSA-N 0 0 303.081 3.925 10 0 DHAERN CCOC(=O)c1cnc2c(Br)cc(C)cc2c1NC ZINC000072237369 191080194 /nfs/dbraw/zinc/08/01/94/191080194.db2.gz ZKIDATYEHVLYNG-UHFFFAOYSA-N 0 0 323.190 3.524 10 0 DHAERN Cc1ccc(Nc2nc(N3CCOCC3)nc3ccccc32)cc1 ZINC000072260473 191089139 /nfs/dbraw/zinc/08/91/39/191089139.db2.gz LZAZETAFAORCJC-UHFFFAOYSA-N 0 0 320.396 3.518 10 0 DHAERN NC(=S)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccs1 ZINC000072413808 191155117 /nfs/dbraw/zinc/15/51/17/191155117.db2.gz NMPWPLMITBJJAG-GFCCVEGCSA-N 0 0 321.858 3.796 10 0 DHAERN O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)[C@@H]1CCCO1 ZINC000000367891 180768885 /nfs/dbraw/zinc/76/88/85/180768885.db2.gz XTENBFNHDUXXOC-INIZCTEOSA-N 0 0 308.337 3.612 10 0 DHAERN Clc1nc(Cl)nc(Nc2cccc(Br)c2)n1 ZINC000002034655 180907455 /nfs/dbraw/zinc/90/74/55/180907455.db2.gz PPUNTDWTGGIFIJ-UHFFFAOYSA-N 0 0 319.977 3.685 10 0 DHAERN Brc1cccc(Nc2ncnc3ccncc32)c1 ZINC000003815229 181046895 /nfs/dbraw/zinc/04/68/95/181046895.db2.gz KXQSONXECJTULQ-UHFFFAOYSA-N 0 0 301.147 3.531 10 0 DHAERN NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 ZINC000003817230 181047420 /nfs/dbraw/zinc/04/74/20/181047420.db2.gz JBXKJSAYNULRHN-UHFFFAOYSA-N 0 0 308.312 3.779 10 0 DHAERN CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 ZINC000004162642 181080124 /nfs/dbraw/zinc/08/01/24/181080124.db2.gz NCUODQHZNQMLNP-UHFFFAOYSA-N 0 0 323.348 3.791 10 0 DHAERN CC(=O)O[C@H]1c2ccccc2C(=O)N1Cc1ccccc1Cl ZINC000004992037 181186841 /nfs/dbraw/zinc/18/68/41/181186841.db2.gz IFLVCDMYWKUNSH-KRWDZBQOSA-N 0 0 315.756 3.558 10 0 aggregator DHAERN CC(C)c1nccn1Cc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076034686 191557639 /nfs/dbraw/zinc/55/76/39/191557639.db2.gz CWTFJOJRBZMBAT-XJKSGUPXSA-N 0 0 312.417 3.585 10 0 DHAERN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](Cc2ccccc2)n2cccc2)C1 ZINC000005055366 181198057 /nfs/dbraw/zinc/19/80/57/181198057.db2.gz KDQQJZPFAMXIFG-ZHALLVOQSA-N 0 0 310.441 3.776 10 0 DHAERN CC[C@]12C=C(C(=O)[O-])n3c4ccccc4c4c3[C@H]1N(CCC2)CC4 ZINC000005140073 181208996 /nfs/dbraw/zinc/20/89/96/181208996.db2.gz ZFCQLDAGNBFMJQ-QUCCMNQESA-N 0 0 322.408 3.670 10 0 in-vitro DHAERN CC(=O)c1cccc(NC(=O)Nc2ccc3snnc3c2)c1 ZINC000005152156 181210228 /nfs/dbraw/zinc/21/02/28/181210228.db2.gz FYGRNLPCLQIUQT-UHFFFAOYSA-N 0 0 312.354 3.538 10 0 DHAERN Cc1cc([C@@H](CCC(C)C)n2nnc3ccccc32)cnc1N ZINC000005379293 181236641 /nfs/dbraw/zinc/23/66/41/181236641.db2.gz WDJBYOWRWTYKEO-MRXNPFEDSA-N 0 0 309.417 3.743 10 0 DHAERN Cc1cccnc1NC(=O)/C=C/c1ccc(Br)cc1 ZINC000005394635 181238600 /nfs/dbraw/zinc/23/86/00/181238600.db2.gz BIFVGYSGUAARIB-RMKNXTFCSA-N 0 0 317.186 3.804 10 0 DHAERN CCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000005312135 181228430 /nfs/dbraw/zinc/22/84/30/181228430.db2.gz IBCGPSZQQOXOIK-UHFFFAOYSA-N 0 0 319.861 3.632 10 0 DHAERN c1ccc(C[C@H](c2ccncc2)n2nnc3ccccc32)cc1 ZINC000005331715 181230138 /nfs/dbraw/zinc/23/01/38/181230138.db2.gz UHIWXUOFXAFGKI-LJQANCHMSA-N 0 0 300.365 3.658 10 0 DHAERN Nc1ccc([C@H](Cc2ccccc2)n2nnc3ccccc32)cc1 ZINC000005331688 181230333 /nfs/dbraw/zinc/23/03/33/181230333.db2.gz AAKPUTFDOVVKOQ-FQEVSTJZSA-N 0 0 314.392 3.846 10 0 DHAERN O=C(/C=C/c1ccc(Br)s1)NCc1ccccc1 ZINC000005557767 181256895 /nfs/dbraw/zinc/25/68/95/181256895.db2.gz PQAPCTSWZRNMMG-VQHVLOKHSA-N 0 0 322.227 3.840 10 0 DHAERN Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2ccccc2)c(C)c1 ZINC000080053481 191996885 /nfs/dbraw/zinc/99/68/85/191996885.db2.gz BVYTUDOUGRVWPC-INIZCTEOSA-N 0 0 317.454 3.521 10 0 DHAERN Cc1ccnc(SC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 ZINC000085333283 192490629 /nfs/dbraw/zinc/49/06/29/192490629.db2.gz IHXJGSJCJAXSND-CYBMUJFWSA-N 0 0 323.462 3.667 10 0 DHAERN CC1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 ZINC000005915764 181295929 /nfs/dbraw/zinc/29/59/29/181295929.db2.gz LQJPZWBDPNGLAZ-QPJJXVBHSA-N 0 0 308.219 3.721 10 0 DHAERN CC(C)CCNC(=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000006305801 181327723 /nfs/dbraw/zinc/32/77/23/181327723.db2.gz YGKDXUNRUYWVDD-UHFFFAOYSA-N 0 0 310.397 3.715 10 0 DHAERN CCOC(=O)CCn1ncc2c1cccc2OCc1ccccc1 ZINC000090471190 192923125 /nfs/dbraw/zinc/92/31/25/192923125.db2.gz GKQMULVEJSMUDT-UHFFFAOYSA-N 0 0 324.380 3.569 10 0 DHAERN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](F)[C@@H]2O ZINC000006499959 181346483 /nfs/dbraw/zinc/34/64/83/181346483.db2.gz LNSIGBRLIFKJTK-PHRFIAIISA-N 0 0 308.437 3.907 10 0 DHAERN C/C=C\C[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000195792206 201422269 /nfs/dbraw/zinc/42/22/69/201422269.db2.gz IHDZWISBXPVSPG-IHWYPQMZSA-N 0 0 314.504 3.733 10 0 DHAERN CC(C)CN1C(=O)c2ccc(-c3nc4ccccc4o3)cc2C1=O ZINC000006693252 181371167 /nfs/dbraw/zinc/37/11/67/181371167.db2.gz RDQKWJLVQMPYDI-UHFFFAOYSA-N 0 0 320.348 3.747 10 0 DHAERN Cc1c(C(=O)Nc2ccc(C)cc2C)oc2c1-c1n[nH]cc1CC2 ZINC000006748370 181382193 /nfs/dbraw/zinc/38/21/93/181382193.db2.gz XQQRVTCQRHKSKC-UHFFFAOYSA-N 0 0 321.380 3.946 10 0 DHAERN CCc1ccccc1N(C)C(=O)Cc1noc2ccc(C)cc21 ZINC000006839311 181397457 /nfs/dbraw/zinc/39/74/57/181397457.db2.gz JQZXCBUVHXUVDP-UHFFFAOYSA-N 0 0 308.381 3.904 10 0 DHAERN COc1ccc(CNC(=O)c2oc3ccc(C)cc3c2C)cc1 ZINC000006860133 181398762 /nfs/dbraw/zinc/39/87/62/181398762.db2.gz BFDNKJSVNWTANQ-UHFFFAOYSA-N 0 0 309.365 3.988 10 0 DHAERN CC(C)(C)OC(=O)Nc1cc(OC(=O)OC(C)(C)C)ccn1 ZINC000261508282 203073983 /nfs/dbraw/zinc/07/39/83/203073983.db2.gz RAILNJLVNDNSNC-UHFFFAOYSA-N 0 0 310.350 3.743 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1C(F)(F)F ZINC000007214659 181445857 /nfs/dbraw/zinc/44/58/57/181445857.db2.gz BBEYPDWSYZIITP-CQSZACIVSA-N 0 0 321.298 3.959 10 0 DHAERN CC(C)(C)c1ncc(CN2CCCC[C@@H]2c2cn[nH]c2)s1 ZINC000093438357 193251770 /nfs/dbraw/zinc/25/17/70/193251770.db2.gz QSBGJNZJHPTEME-CQSZACIVSA-N 0 0 304.463 3.891 10 0 DHAERN Cc1ccc(OCC[C@H]2CCCCN2C(=O)OC(C)(C)C)nc1 ZINC000095090463 193422449 /nfs/dbraw/zinc/42/24/49/193422449.db2.gz DZTUSMJEFRNEQM-OAHLLOKOSA-N 0 0 320.433 3.949 10 0 DHAERN CCOC(=O)c1ccccc1OC(=O)c1ccc(Cl)cc1 ZINC000014017379 181920336 /nfs/dbraw/zinc/92/03/36/181920336.db2.gz GCCPGSNYKZXQSE-UHFFFAOYSA-N 0 0 304.729 3.736 10 0 DHAERN O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1 ZINC000014833721 181972433 /nfs/dbraw/zinc/97/24/33/181972433.db2.gz QRNDAAQCXJDSND-DHZHZOJOSA-N 0 0 316.813 3.866 10 0 DHAERN O=C(Nc1ccccc1CCc1nc2ccccc2[nH]1)C1CC1 ZINC000015863721 182022664 /nfs/dbraw/zinc/02/26/64/182022664.db2.gz OYBVCNFIOLYVPU-UHFFFAOYSA-N 0 0 305.381 3.697 10 0 DHAERN C[C@H]1CCCC[C@@H]1OCCC(=O)Nc1ccc(Cl)cc1N ZINC000019232574 182110141 /nfs/dbraw/zinc/11/01/41/182110141.db2.gz UCAHFSYDTVSSTR-NHYWBVRUSA-N 0 0 310.825 3.846 10 0 DHAERN CC(=O)Nc1ccccc1Oc1ccc(Br)cc1N ZINC000019845752 182156760 /nfs/dbraw/zinc/15/67/60/182156760.db2.gz HFWHLNMEUKQHBG-UHFFFAOYSA-N 0 0 321.174 3.782 10 0 DHAERN C[C@H](Nc1ccc(C(N)=O)cc1)c1cccc(Br)c1 ZINC000019911337 182163794 /nfs/dbraw/zinc/16/37/94/182163794.db2.gz VSGIBXRSNVFMGQ-JTQLQIEISA-N 0 0 319.202 3.721 10 0 DHAERN NC(=S)c1ccccc1Oc1ccccc1Br ZINC000020077488 182185333 /nfs/dbraw/zinc/18/53/33/182185333.db2.gz FEGRHOPZYMDWFM-UHFFFAOYSA-N 0 0 308.200 3.876 10 0 DHAERN NC(=S)c1ccccc1Oc1cccc(Br)c1 ZINC000020077462 182185602 /nfs/dbraw/zinc/18/56/02/182185602.db2.gz ZLFSTCXLOYRTNA-UHFFFAOYSA-N 0 0 308.200 3.876 10 0 DHAERN C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5n[nH]cc5C[C@]43C)[C@@H]1CC[C@@H]2O ZINC000020275474 182202486 /nfs/dbraw/zinc/20/24/86/182202486.db2.gz GZCJWTCFQKPYQN-CWLROJRBSA-N 0 0 314.473 3.728 10 0 DHAERN C[C@H](Nc1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1 ZINC000020299622 182203778 /nfs/dbraw/zinc/20/37/78/182203778.db2.gz WYFCUMPESYMTOV-JTQLQIEISA-N 0 0 300.324 3.565 10 0 DHAERN COc1cccc(COc2ccc(Br)cc2CO)c1 ZINC000020298062 182204134 /nfs/dbraw/zinc/20/41/34/182204134.db2.gz PGJCUCYZTFOHGS-UHFFFAOYSA-N 0 0 323.186 3.529 10 0 DHAERN Nc1cc(NC(=O)c2ccc(Br)o2)ccc1Cl ZINC000020344288 182209865 /nfs/dbraw/zinc/20/98/65/182209865.db2.gz AYGVNTOJQAIJDE-UHFFFAOYSA-N 0 0 315.554 3.530 10 0 DHAERN Cc1cc(Br)ccc1NC1N=NC(=S)S1 ZINC000020581555 182234988 /nfs/dbraw/zinc/23/49/88/182234988.db2.gz GUSVXEZEUMWDKH-UHFFFAOYSA-N 0 0 302.222 3.641 10 0 DHAERN COc1cccc([C@@H](CC(=O)Nc2cccnc2)n2cccc2)c1 ZINC000020998320 182258118 /nfs/dbraw/zinc/25/81/18/182258118.db2.gz MLFIKWUXNFZSRS-GOSISDBHSA-N 0 0 321.380 3.510 10 0 DHAERN O=C(C[C@H](c1cccc(F)c1)n1cccc1)Nc1ccccn1 ZINC000020998255 182258175 /nfs/dbraw/zinc/25/81/75/182258175.db2.gz WCOJHLFWVLPRLI-MRXNPFEDSA-N 0 0 309.344 3.640 10 0 DHAERN Cc1csc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC000021143269 182266789 /nfs/dbraw/zinc/26/67/89/182266789.db2.gz MVMZPAQDKPAKHX-UHFFFAOYSA-N 0 0 317.414 3.688 10 0 DHAERN OC(CCOCc1ccccc1)CCOCc1ccccc1 ZINC000021991521 182302177 /nfs/dbraw/zinc/30/21/77/182302177.db2.gz GGMZZSULBVFBGO-UHFFFAOYSA-N 0 0 300.398 3.561 10 0 DHAERN Nc1ccc(Cl)cc1NC(=O)c1ccc(Br)o1 ZINC000022222550 182313851 /nfs/dbraw/zinc/31/38/51/182313851.db2.gz CORSCINMNXNICA-UHFFFAOYSA-N 0 0 315.554 3.530 10 0 DHAERN CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc2n1 ZINC000022836160 182336858 /nfs/dbraw/zinc/33/68/58/182336858.db2.gz NMNIBGOGXHOGNZ-ZIAGYGMSSA-N 0 0 312.413 3.608 10 0 DHAERN C[C@@H](O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 ZINC000024828442 182392008 /nfs/dbraw/zinc/39/20/08/182392008.db2.gz LIDGHYJOQCIXGO-VXGBXAGGSA-N 0 0 319.788 3.799 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1nc(Cl)ccc1Cl ZINC000024646267 182385909 /nfs/dbraw/zinc/38/59/09/182385909.db2.gz PVPXZXYGUPDDRN-NSHDSACASA-N 0 0 323.179 3.642 10 0 DHAERN O=C(NC1CCC(C(F)(F)F)CC1)c1cc(Cl)ccn1 ZINC000027895738 182496512 /nfs/dbraw/zinc/49/65/12/182496512.db2.gz PRQCLEQLSZEHMK-UHFFFAOYSA-N 0 0 306.715 3.586 10 0 DHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000028576319 182530449 /nfs/dbraw/zinc/53/04/49/182530449.db2.gz LKROMWRCMCWURZ-UWVGGRQHSA-N 0 0 307.777 3.644 10 0 DHAERN CC1(C)CCC[C@H]2[C@]3(C)CC[C@@](C)([C@@H](O)CO)C[C@H]3CC[C@@]21O ZINC000098214409 193792608 /nfs/dbraw/zinc/79/26/08/193792608.db2.gz OBDGLMHTEAXTDJ-OTCXFQBHSA-N 0 0 324.505 3.504 10 0 biogenic DHAERN CCOC(=O)c1cnc2cc(-c3cccc(Cl)c3)nn2c1C ZINC000098179985 193791600 /nfs/dbraw/zinc/79/16/00/193791600.db2.gz SNUHAYDJPGRLMQ-UHFFFAOYSA-N 0 0 315.760 3.535 10 0 DHAERN CNc1c2ccccc2oc(=O)c1NC(=O)C1CCC(C)CC1 ZINC000101098413 193808529 /nfs/dbraw/zinc/80/85/29/193808529.db2.gz NSRKKCRQRUUMAK-UHFFFAOYSA-N 0 0 314.385 3.600 10 0 DHAERN CCCn1nc(C(=O)NC2CCCCC2)cc1-c1ccco1 ZINC000034902276 182742313 /nfs/dbraw/zinc/74/23/13/182742313.db2.gz WQABBHXNBRXEBG-UHFFFAOYSA-N 0 0 301.390 3.616 10 0 DHAERN COc1cccc2oc(=O)nc(NCC(C)(C)c3ccccc3)c12 ZINC000034949042 182745961 /nfs/dbraw/zinc/74/59/61/182745961.db2.gz XYJOKKCUWQUUGY-UHFFFAOYSA-N 0 0 324.380 3.586 10 0 DHAERN CC[C@H](C)NC(=O)c1csc(COc2ccc(C)c(C)c2)n1 ZINC000036084402 182797263 /nfs/dbraw/zinc/79/72/63/182797263.db2.gz STVJESXCUNKAQN-ZDUSSCGKSA-N 0 0 318.442 3.867 10 0 DHAERN O=Cc1ccc(Br)cc1Oc1ccc2c(c1)OCO2 ZINC000036670401 182834922 /nfs/dbraw/zinc/83/49/22/182834922.db2.gz CQOMTGGGGURIJJ-UHFFFAOYSA-N 0 0 321.126 3.783 10 0 DHAERN Nc1ccc(=O)n(CCSc2cc(Cl)ccc2Cl)c1 ZINC000037065977 182865300 /nfs/dbraw/zinc/86/53/00/182865300.db2.gz QHAJVGVLZVBDLU-UHFFFAOYSA-N 0 0 315.225 3.530 10 0 DHAERN CCOC(=O)[C@@](C)(NC(C)C)c1ccc(Cl)cc1Cl ZINC000037446083 182894403 /nfs/dbraw/zinc/89/44/03/182894403.db2.gz OZRKSOZALUZCLQ-AWEZNQCLSA-N 0 0 304.217 3.770 10 0 DHAERN COC(=O)[C@@H](Nc1ccc(Br)cc1)[C@H]1CC=CCC1 ZINC000037960509 182943243 /nfs/dbraw/zinc/94/32/43/182943243.db2.gz CFZJAWVGJRDAQL-FZMZJTMJSA-N 0 0 324.218 3.759 10 0 DHAERN CCOC(=O)[C@@](C)(CC)Nc1ccccc1Br ZINC000037960078 182943493 /nfs/dbraw/zinc/94/34/93/182943493.db2.gz ZUWNCCNCPUMAHW-CYBMUJFWSA-N 0 0 300.196 3.593 10 0 DHAERN CCOC(=O)[C@@H](NCC(F)(F)F)c1ccc(C(C)C)cc1 ZINC000037973893 182946768 /nfs/dbraw/zinc/94/67/68/182946768.db2.gz YFMCJSQOMVIOAW-ZDUSSCGKSA-N 0 0 303.324 3.566 10 0 DHAERN O=C(c1cnc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccncc1 ZINC000037981457 182951711 /nfs/dbraw/zinc/95/17/11/182951711.db2.gz NPKKDHIKEURARP-ZDUSSCGKSA-N 0 0 322.195 3.761 10 0 DHAERN CCCn1cc(NCc2cc(Cl)ccc2OC)ccc1=O ZINC000038051623 182982341 /nfs/dbraw/zinc/98/23/41/182982341.db2.gz UUULIWCCHDFBBA-UHFFFAOYSA-N 0 0 306.793 3.532 10 0 DHAERN CCOC(=O)[C@@H](N[C@@H](C)CC)c1cc(Cl)cc(Cl)c1 ZINC000038067983 182985408 /nfs/dbraw/zinc/98/54/08/182985408.db2.gz XICXLVHPXYZROY-ZANVPECISA-N 0 0 304.217 3.986 10 0 DHAERN Cc1cc(Br)c2nsnc2c1Br ZINC000038885706 183011799 /nfs/dbraw/zinc/01/17/99/183011799.db2.gz IYRMTTBJJGMXER-UHFFFAOYSA-N 0 0 307.998 3.525 10 0 DHAERN Cc1cccc(C(=O)NCc2nc3ccccc3n2CC(C)C)c1 ZINC000040276863 183050801 /nfs/dbraw/zinc/05/08/01/183050801.db2.gz DGXHLMYSKSUFPJ-UHFFFAOYSA-N 0 0 321.424 3.931 10 0 DHAERN Cc1cc2nc(CCO)n(Cc3ccccc3Cl)c2cc1C ZINC000040310672 183053321 /nfs/dbraw/zinc/05/33/21/183053321.db2.gz BDQNQPPFIHVDHB-UHFFFAOYSA-N 0 0 314.816 3.890 10 0 DHAERN Cc1ccc(C)c(OCCn2c(CO)nc3cc(C)c(C)cc32)c1 ZINC000040308927 183053516 /nfs/dbraw/zinc/05/35/16/183053516.db2.gz SGGPXIKUCDCTCD-UHFFFAOYSA-N 0 0 324.424 3.841 10 0 DHAERN Cc1ccc(OCCn2c(CCO)nc3cc(C)c(C)cc32)cc1 ZINC000040310808 183053711 /nfs/dbraw/zinc/05/37/11/183053711.db2.gz UKLYOLQUPPOJDD-UHFFFAOYSA-N 0 0 324.424 3.575 10 0 DHAERN Cc1ccccc1OCc1nc2cc(Cl)ccc2n1CCO ZINC000040401077 183061506 /nfs/dbraw/zinc/06/15/06/183061506.db2.gz NTLFOWDFBMIXSS-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN OCCn1c2ccc(Cl)cc2nc1Cc1ccc(Cl)cc1 ZINC000040401020 183061667 /nfs/dbraw/zinc/06/16/67/183061667.db2.gz TVKQHGOEROBSOX-UHFFFAOYSA-N 0 0 321.207 3.926 10 0 DHAERN CCOC(=O)c1sc2nc(-c3ccccc3OC)cn2c1C ZINC000040437601 183066649 /nfs/dbraw/zinc/06/66/49/183066649.db2.gz UKSXDNYJELKEOV-UHFFFAOYSA-N 0 0 316.382 3.557 10 0 DHAERN Cc1ccc2cccc(Oc3ncnc(NC(C)(C)C)c3N)c2n1 ZINC000040680502 183117163 /nfs/dbraw/zinc/11/71/63/183117163.db2.gz YPKRPSPWLVAVMD-UHFFFAOYSA-N 0 0 323.400 3.918 10 0 DHAERN CCN(CC)c1ncnc(Oc2cccc3ccccc32)c1N ZINC000040683006 183117322 /nfs/dbraw/zinc/11/73/22/183117322.db2.gz QQFXICPEIBJTJA-UHFFFAOYSA-N 0 0 308.385 3.851 10 0 DHAERN CCCNc1ncnc(Nc2cccc(Cl)c2Cl)c1N ZINC000040707750 183121333 /nfs/dbraw/zinc/12/13/33/183121333.db2.gz INPHYLGWKDDVRK-UHFFFAOYSA-N 0 0 312.204 3.931 10 0 DHAERN Nc1c(NC2CCCCCC2)ncnc1N1CCc2ccccc21 ZINC000040687452 183118001 /nfs/dbraw/zinc/11/80/01/183118001.db2.gz XQSCQJUCVZUNNO-UHFFFAOYSA-N 0 0 323.444 3.888 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccc(C)n3)c2N)c(C)c1 ZINC000040685441 183118090 /nfs/dbraw/zinc/11/80/90/183118090.db2.gz PXZHIPNMYNQLBG-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN Cc1ccccc1Nc1ncnc(N2CCc3ccccc32)c1N ZINC000040687363 183118152 /nfs/dbraw/zinc/11/81/52/183118152.db2.gz IUINHIBQUHMROZ-UHFFFAOYSA-N 0 0 317.396 3.805 10 0 DHAERN CC(C)Nc1ncnc(Nc2ccc(Cl)c(Cl)c2)c1N ZINC000040703952 183120013 /nfs/dbraw/zinc/12/00/13/183120013.db2.gz WVOYZQIHANCOBU-UHFFFAOYSA-N 0 0 312.204 3.930 10 0 DHAERN CC(C)Oc1ncnc(Nc2cc(Cl)cc(Cl)c2)c1N ZINC000040701102 183120056 /nfs/dbraw/zinc/12/00/56/183120056.db2.gz GFNBELYFTDRDSR-UHFFFAOYSA-N 0 0 313.188 3.896 10 0 DHAERN Nc1c(Nc2ccc(Cl)c(Cl)c2)ncnc1N1CCCC1 ZINC000040703970 183120268 /nfs/dbraw/zinc/12/02/68/183120268.db2.gz IIVJXHZHKGJWAR-UHFFFAOYSA-N 0 0 324.215 3.709 10 0 DHAERN Nc1c(NCc2ccccc2)ncnc1NC1CCCCCC1 ZINC000040709375 183120870 /nfs/dbraw/zinc/12/08/70/183120870.db2.gz PTLAEHSREMARSP-UHFFFAOYSA-N 0 0 311.433 3.806 10 0 DHAERN COc1ccc(Nc2ncnc(Nc3cccc(C)c3)c2N)cc1 ZINC000040781624 183133084 /nfs/dbraw/zinc/13/30/84/183133084.db2.gz GHXYGKRKLBCJJB-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN Nc1c(NCc2ccc(Cl)cc2)ncnc1NC1CCCC1 ZINC000040784075 183133662 /nfs/dbraw/zinc/13/36/62/183133662.db2.gz JMAVYOMQTJXKDT-UHFFFAOYSA-N 0 0 317.824 3.679 10 0 DHAERN Cc1cccc2sc(Nc3ncnc(OC(C)C)c3N)nc21 ZINC000040783492 183134013 /nfs/dbraw/zinc/13/40/13/183134013.db2.gz JLLQZJXOSKUJDG-UHFFFAOYSA-N 0 0 315.402 3.508 10 0 DHAERN Nc1c(Sc2ccccc2)ncnc1N1CCCCCC1 ZINC000040725539 183124892 /nfs/dbraw/zinc/12/48/92/183124892.db2.gz CFWITLVXENQOMN-UHFFFAOYSA-N 0 0 300.431 3.590 10 0 DHAERN CCN(CC)c1ncnc(Oc2cccc3ccc(C)nc32)c1N ZINC000040723179 183125101 /nfs/dbraw/zinc/12/51/01/183125101.db2.gz GJXKDXCYHPCUNY-UHFFFAOYSA-N 0 0 323.400 3.554 10 0 DHAERN CC(C)CCNc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040758434 183129343 /nfs/dbraw/zinc/12/93/43/183129343.db2.gz ATIYPKDKXOYHTO-UHFFFAOYSA-N 0 0 322.416 3.809 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccccn3)c2N)c(C)c1 ZINC000040755368 183129355 /nfs/dbraw/zinc/12/93/55/183129355.db2.gz AOLXHWJISUSGAI-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN COc1ccc2oc(=O)c(C(=O)Oc3ccc(C)c(C)c3)cc2c1 ZINC000040949480 183150781 /nfs/dbraw/zinc/15/07/81/183150781.db2.gz KDKYGBHJYVNRBH-UHFFFAOYSA-N 0 0 324.332 3.638 10 0 DHAERN Cc1nn2c(C)c(-c3ccc(Br)cc3)nc2s1 ZINC000040963517 183152241 /nfs/dbraw/zinc/15/22/41/183152241.db2.gz HYDWVWSSPSSPNY-UHFFFAOYSA-N 0 0 308.204 3.837 10 0 DHAERN CCCSc1nn2cc(-c3cccc(OC)c3)nc2s1 ZINC000040965210 183152335 /nfs/dbraw/zinc/15/23/35/183152335.db2.gz UGEUMGNBQJVRIX-UHFFFAOYSA-N 0 0 305.428 3.969 10 0 DHAERN O=C(Nc1ccccc1Cl)c1cnc2c(F)cccc2c1O ZINC000041055652 183160356 /nfs/dbraw/zinc/16/03/56/183160356.db2.gz UJELIZNRTXFUGK-UHFFFAOYSA-N 0 0 316.719 3.573 10 0 DHAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1ccncc1 ZINC000041057623 183161018 /nfs/dbraw/zinc/16/10/18/183161018.db2.gz JBTSTIGJDBPVSE-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN c1ccc(CNc2nc(N3CCCC3)nc3ccccc32)cc1 ZINC000041151054 183178503 /nfs/dbraw/zinc/17/85/03/183178503.db2.gz AFFHLSKOOIPDNZ-UHFFFAOYSA-N 0 0 304.397 3.842 10 0 DHAERN Cc1cc(Br)cc2c(N)c(Br)cnc12 ZINC000041702442 183217796 /nfs/dbraw/zinc/21/77/96/183217796.db2.gz WXAMTSZWWWDCFA-UHFFFAOYSA-N 0 0 315.996 3.650 10 0 DHAERN COc1cccc2c(Br)c(Br)cnc12 ZINC000041702600 183218616 /nfs/dbraw/zinc/21/86/16/183218616.db2.gz ASFKKENEGYNZCG-UHFFFAOYSA-N 0 0 316.980 3.768 10 0 DHAERN CNc1ccccc1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000042033532 183229849 /nfs/dbraw/zinc/22/98/49/183229849.db2.gz VGOUJDWQSZXQHB-MNOVXSKESA-N 0 0 300.324 3.579 10 0 DHAERN Brc1cccc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000042251278 183246522 /nfs/dbraw/zinc/24/65/22/183246522.db2.gz MPFJULWFPPIGOL-GJZGRUSLSA-N 0 0 310.235 3.593 10 0 DHAERN C[C@H](N(C)c1cc(Br)ccc1CO)C(C)(C)C ZINC000042772354 183306694 /nfs/dbraw/zinc/30/66/94/183306694.db2.gz VWRWXMNKRPODIX-JTQLQIEISA-N 0 0 300.240 3.812 10 0 DHAERN C[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000042850119 183314377 /nfs/dbraw/zinc/31/43/77/183314377.db2.gz IVZRUZDEVNWFBP-RWMBFGLXSA-N 0 0 315.335 3.691 10 0 DHAERN CCN(CC(=O)c1ccc(Cl)cc1Cl)[C@H](C)COC ZINC000042775020 183307984 /nfs/dbraw/zinc/30/79/84/183307984.db2.gz IGACYEINOKUHDH-SNVBAGLBSA-N 0 0 304.217 3.533 10 0 DHAERN CCCCCCNC(=O)Nc1cccc(C(=O)N(CC)CC)c1 ZINC000043499689 183367303 /nfs/dbraw/zinc/36/73/03/183367303.db2.gz FYYKZYKMGOWMTQ-UHFFFAOYSA-N 0 0 319.449 3.870 10 0 DHAERN Cc1nn([C@H](C)c2cccc(Cl)c2)c(N)c1Br ZINC000043668261 183378306 /nfs/dbraw/zinc/37/83/06/183378306.db2.gz AHONWNBFMBAPAH-MRVPVSSYSA-N 0 0 314.614 3.799 10 0 DHAERN CCCN(CCc1ccccn1)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000105087082 194072126 /nfs/dbraw/zinc/07/21/26/194072126.db2.gz WFHMBAMSJXMLES-OAHLLOKOSA-N 0 0 315.417 3.708 10 0 DHAERN CC[C@H](C)[C@](C)(O)Cc1cc(Br)ccc1OC ZINC000049597797 183746388 /nfs/dbraw/zinc/74/63/88/183746388.db2.gz ZWSXTIMWIISYNS-IINYFYTJSA-N 0 0 301.224 3.797 10 0 DHAERN CCNc1cc(COC)nc2c(F)ccc(Br)c12 ZINC000051698187 183834434 /nfs/dbraw/zinc/83/44/34/183834434.db2.gz DOGPDTCOADREFJ-UHFFFAOYSA-N 0 0 313.170 3.715 10 0 DHAERN CC(C)(C)c1ccc(OCC[NH+]2CCCC2)c(/C=C/C(=O)[O-])c1 ZINC000053993942 183919175 /nfs/dbraw/zinc/91/91/75/183919175.db2.gz HBXMBCGZZVXHQD-RMKNXTFCSA-N 0 0 317.429 3.557 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C)cc3F)n2)cc1 ZINC000057342147 184034222 /nfs/dbraw/zinc/03/42/22/184034222.db2.gz CCGBQUZJPIOMFO-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN COCc1cc(Cl)nc(N2c3ccc(F)cc3CC[C@H]2C)n1 ZINC000057343608 184034266 /nfs/dbraw/zinc/03/42/66/184034266.db2.gz QUWRQELZNWARDV-SNVBAGLBSA-N 0 0 321.783 3.888 10 0 DHAERN COCCN(Cc1nc(Cl)ccc1Cl)[C@@H](C)C1CC1 ZINC000061631185 184179560 /nfs/dbraw/zinc/17/95/60/184179560.db2.gz LOPVEHPQJIVZIT-JTQLQIEISA-N 0 0 303.233 3.635 10 0 DHAERN Clc1ccc(Cl)c(CN2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000061631383 184179902 /nfs/dbraw/zinc/17/99/02/184179902.db2.gz KOWYUMXCANVKPV-QWHCGFSZSA-N 0 0 301.217 3.532 10 0 DHAERN CCn1cc(CNc2cc(Br)ccc2Cl)cn1 ZINC000061691185 184182742 /nfs/dbraw/zinc/18/27/42/184182742.db2.gz WCDSAISVQWZWMU-UHFFFAOYSA-N 0 0 314.614 3.931 10 0 DHAERN CC(C)(C)n1ccnc(Oc2cccc(Br)c2)c1=O ZINC000061761776 184187245 /nfs/dbraw/zinc/18/72/45/184187245.db2.gz ZGOQFHHLDXLXNI-UHFFFAOYSA-N 0 0 323.190 3.553 10 0 DHAERN COc1ccc(Br)c([C@@H](O)Cc2ccsc2)c1 ZINC000062137560 184208423 /nfs/dbraw/zinc/20/84/23/184208423.db2.gz GUTBWRNMRVBFAM-ZDUSSCGKSA-N 0 0 313.216 3.795 10 0 DHAERN O=C(c1ccc2c(c1)COC2)c1ccc(F)cc1Br ZINC000062331474 184231071 /nfs/dbraw/zinc/23/10/71/184231071.db2.gz QFEXSPOEVRJVOD-UHFFFAOYSA-N 0 0 321.145 3.849 10 0 DHAERN CSc1ncccc1-c1nc(-c2ccc3oc(C)nc3c2)no1 ZINC000065149562 184311774 /nfs/dbraw/zinc/31/17/74/184311774.db2.gz QIAPQJMFIVSGDG-UHFFFAOYSA-N 0 0 324.365 3.970 10 0 DHAERN CCn1cc(CC(=O)Nc2ccc(F)cc2F)c2cccnc21 ZINC000065155838 184312848 /nfs/dbraw/zinc/31/28/48/184312848.db2.gz QLBIRSIDWIXESU-UHFFFAOYSA-N 0 0 315.323 3.516 10 0 DHAERN COC(=O)c1cccc(-c2cc(O)cc(Br)c2)c1 ZINC000065343873 184325252 /nfs/dbraw/zinc/32/52/52/184325252.db2.gz PDEOQPJTHBKMNX-UHFFFAOYSA-N 0 0 307.143 3.608 10 0 DHAERN CN(C)C(=O)c1ccc(-c2cc(O)cc(Br)c2)cc1 ZINC000065343917 184325968 /nfs/dbraw/zinc/32/59/68/184325968.db2.gz LKYWHYRAGDCCKQ-UHFFFAOYSA-N 0 0 320.186 3.524 10 0 DHAERN CSC[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000066755393 184428232 /nfs/dbraw/zinc/42/82/32/184428232.db2.gz XTDCXZZWPWRGLM-NXEZZACHSA-N 0 0 316.264 3.625 10 0 DHAERN CSC[C@H](C)C(=O)N[C@H](C)c1ccccc1Br ZINC000066755391 184428293 /nfs/dbraw/zinc/42/82/93/184428293.db2.gz XTDCXZZWPWRGLM-VHSXEESVSA-N 0 0 316.264 3.625 10 0 DHAERN CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)c1cc(Cl)c[nH]1 ZINC000066761795 184429051 /nfs/dbraw/zinc/42/90/51/184429051.db2.gz IPGZXKUXHAZWBM-OAHLLOKOSA-N 0 0 318.804 3.660 10 0 DHAERN Cc1csc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2C)n1 ZINC000069327661 184507301 /nfs/dbraw/zinc/50/73/01/184507301.db2.gz YJTMAODCVFKIQX-QWHCGFSZSA-N 0 0 303.431 3.881 10 0 DHAERN Cc1nc(C)c(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)s1 ZINC000119646391 195009144 /nfs/dbraw/zinc/00/91/44/195009144.db2.gz HEZDZXBTCQKVSF-CABCVRRESA-N 0 0 306.475 3.635 10 0 DHAERN Cc1ccc(N)cc1NC(=O)C[C@H](C)Cc1cccc(F)c1 ZINC000193459429 335050057 /nfs/dbraw/zinc/05/00/57/335050057.db2.gz INICOGOAWCBTPX-GFCCVEGCSA-N 0 0 300.377 3.924 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H](O)c3cc(F)ccc32)c(C)o1 ZINC000096011723 256552230 /nfs/dbraw/zinc/55/22/30/256552230.db2.gz MOGWAKAETHIAFH-INIZCTEOSA-N 0 0 303.333 3.510 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3csc4ccccc34)CC[C@H]2O1 ZINC000249686566 257107014 /nfs/dbraw/zinc/10/70/14/257107014.db2.gz GWPLVJCTZNQMJB-LALPHHSUSA-N 0 0 301.411 3.541 10 0 DHAERN C[C@@H]1C[C@@H]2CN(C(=O)c3ccc(F)c4ccccc34)CC[C@@H]2O1 ZINC000249688749 257107557 /nfs/dbraw/zinc/10/75/57/257107557.db2.gz IPCUORGAAQDZFD-VFVRVIDISA-N 0 0 313.372 3.618 10 0 DHAERN Cc1cc(C)cc(OC[C@@H]2CN(Cc3ccccc3)C(=O)O2)c1 ZINC000398473608 257103100 /nfs/dbraw/zinc/10/31/00/257103100.db2.gz RLMYWFYUYQEWAB-SFHVURJKSA-N 0 0 311.381 3.703 10 0 DHAERN CCCOc1ccc(S(=O)(=O)N(CC)CC)cc1C(C)C ZINC000521401887 257234296 /nfs/dbraw/zinc/23/42/96/257234296.db2.gz SFGRPFUCCMEEKS-UHFFFAOYSA-N 0 0 313.463 3.629 10 0 DHAERN CCCc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 ZINC000071790691 184842501 /nfs/dbraw/zinc/84/25/01/184842501.db2.gz QWPRZYCJBNFORB-INIZCTEOSA-N 0 0 317.429 3.933 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1csc(Cl)n1 ZINC000274504204 130241000 /nfs/dbraw/zinc/24/10/00/130241000.db2.gz PXKAOGRGIFSEIE-NKWVEPMBSA-N 0 0 312.744 3.647 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000298315687 132055726 /nfs/dbraw/zinc/05/57/26/132055726.db2.gz QTWFEQWWUFGDLX-YWPYICTPSA-N 0 0 310.825 3.610 10 0 DHAERN COCc1nc(C)cc(Oc2ccc(C(C)=O)cc2Cl)n1 ZINC000120376374 132141745 /nfs/dbraw/zinc/14/17/45/132141745.db2.gz HNJLYUNBBYMPFU-UHFFFAOYSA-N 0 0 306.749 3.580 10 0 DHAERN Clc1ncnc2cc(Br)cc(Br)c12 ZINC000299889652 262516447 /nfs/dbraw/zinc/51/64/47/262516447.db2.gz MMNLQFHOBYVSOC-UHFFFAOYSA-N 0 0 322.387 3.808 10 0 DHAERN COc1ccc([C@H](C)Nc2nc3ccccc3n2C)cc1OC ZINC000172156422 332817955 /nfs/dbraw/zinc/81/79/55/332817955.db2.gz SBFOUAYRKPRIKK-LBPRGKRZSA-N 0 0 311.385 3.764 10 0 DHAERN CCC(O)(CC)CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000174396021 332854361 /nfs/dbraw/zinc/85/43/61/332854361.db2.gz LJHUHEFWZBYYPR-IRXDYDNUSA-N 0 0 303.446 3.581 10 0 DHAERN CCn1c(C)nnc1CN(CCc1ccccc1)c1ccccc1 ZINC000170726370 332871614 /nfs/dbraw/zinc/87/16/14/332871614.db2.gz QHWHRHCYFGCFFY-UHFFFAOYSA-N 0 0 320.440 3.856 10 0 DHAERN CN(Cc1ccc(F)cc1)C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109079335 331508955 /nfs/dbraw/zinc/50/89/55/331508955.db2.gz NNJGYDVMUOPUAU-GJZGRUSLSA-N 0 0 319.326 3.866 10 0 DHAERN COC(=O)C1CCC(C(=O)N2CCC[C@@H]2C2CCCCC2)CC1 ZINC000179471379 331524551 /nfs/dbraw/zinc/52/45/51/331524551.db2.gz ALVJXBGAFYNHCK-OFLPRAFFSA-N 0 0 321.461 3.537 10 0 DHAERN COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCN2 ZINC000037323061 331555533 /nfs/dbraw/zinc/55/55/33/331555533.db2.gz FCDCFBWGCOWARQ-UHFFFAOYSA-N 0 0 302.761 3.569 10 0 DHAERN CS(=O)(=O)c1ccccc1N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000070275689 331662722 /nfs/dbraw/zinc/66/27/22/331662722.db2.gz LKAFYWYPDMUUFC-MNOVXSKESA-N 0 0 321.364 3.623 10 0 DHAERN CCN(CC)C(=O)CCC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000176168467 332926140 /nfs/dbraw/zinc/92/61/40/332926140.db2.gz PCTGFVDMGMVRBS-OAHLLOKOSA-N 0 0 318.461 3.636 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000130101636 332022774 /nfs/dbraw/zinc/02/27/74/332022774.db2.gz PPEHXCSQEBHQCL-MLGOLLRUSA-N 0 0 302.805 3.923 10 0 DHAERN CCn1cccc1CNc1cc(Br)ccc1OC ZINC000091127510 332099964 /nfs/dbraw/zinc/09/99/64/332099964.db2.gz GCCUWFUKUSYIDR-UHFFFAOYSA-N 0 0 309.207 3.891 10 0 DHAERN Nc1cccc2c1CCCN2C(=O)c1ccc(F)cc1Cl ZINC000133276891 332138831 /nfs/dbraw/zinc/13/88/31/332138831.db2.gz ZABYBAYKWNGRNL-UHFFFAOYSA-N 0 0 304.752 3.654 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180868817 332142459 /nfs/dbraw/zinc/14/24/59/332142459.db2.gz HTGIKWOSNUKUSY-ZFWWWQNUSA-N 0 0 317.429 3.803 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)Cc1ccc(C)c(O)c1)[C@@H](C)C2 ZINC000181108124 332175858 /nfs/dbraw/zinc/17/58/58/332175858.db2.gz NAGFOUFMBXNKIS-VBKZILBWSA-N 0 0 309.409 3.601 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CC[C@@H]1CCCCO1)[C@H](C)C2 ZINC000181238538 332187790 /nfs/dbraw/zinc/18/77/90/332187790.db2.gz DXECJVXYHFXKOS-SIXWZSSISA-N 0 0 301.430 3.694 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC[C@@H]2CCCCO2)cc1 ZINC000181539974 332197537 /nfs/dbraw/zinc/19/75/37/332197537.db2.gz KPWJPWKORZDXJW-FHWLQOOXSA-N 0 0 315.457 3.989 10 0 DHAERN Clc1nc2ccccc2cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000042292997 332241196 /nfs/dbraw/zinc/24/11/96/332241196.db2.gz SQDAIVKUTDXAPZ-HOTGVXAUSA-N 0 0 302.805 3.642 10 0 DHAERN CC(C)(C)c1nc(CN2CCC(Cn3cccn3)CC2)cs1 ZINC000105887049 332255109 /nfs/dbraw/zinc/25/51/09/332255109.db2.gz SDLRSZFENFLNGT-UHFFFAOYSA-N 0 0 318.490 3.549 10 0 DHAERN COC(=O)c1sc(N[C@H]2CCOc3ccccc32)nc1Cl ZINC000048738570 332304930 /nfs/dbraw/zinc/30/49/30/332304930.db2.gz JPBCNOONHZYSSO-VIFPVBQESA-N 0 0 324.789 3.519 10 0 DHAERN Cc1c2cc(C)ccc2[nH]c1C(=O)N1CCC(c2cc[nH]n2)CC1 ZINC000154387314 332432557 /nfs/dbraw/zinc/43/25/57/332432557.db2.gz WNASZDWBHQMENQ-UHFFFAOYSA-N 0 0 322.412 3.528 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CC[C@H](C)O2)ccc1Oc1cccnc1 ZINC000150833619 332438717 /nfs/dbraw/zinc/43/87/17/332438717.db2.gz CEGFXPYZFRYLKQ-GUYCJALGSA-N 0 0 312.369 3.688 10 0 DHAERN O=C(NCC1(C2CC2)CC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000151491839 332581394 /nfs/dbraw/zinc/58/13/94/332581394.db2.gz GRRKEHGWWIEQNG-NEPJUHHUSA-N 0 0 304.356 3.597 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000151553510 332587173 /nfs/dbraw/zinc/58/71/73/332587173.db2.gz CIDUSBGJZLCEQF-JKSUJKDBSA-N 0 0 304.434 3.513 10 0 DHAERN Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)c1 ZINC000151595930 332592453 /nfs/dbraw/zinc/59/24/53/332592453.db2.gz PDAMJXCLDWDQOQ-KDOFPFPSSA-N 0 0 322.408 3.688 10 0 DHAERN C[C@H]1CN(C(=O)[C@H](OC(C)(C)C)c2ccccc2)CCS1 ZINC000152854627 332645495 /nfs/dbraw/zinc/64/54/95/332645495.db2.gz NIMTZUUZOYRHJV-DZGCQCFKSA-N 0 0 307.459 3.507 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000156714208 332651248 /nfs/dbraw/zinc/65/12/48/332651248.db2.gz BTJAKYWCLAWDJI-GZMMTYOYSA-N 0 0 322.207 3.717 10 0 DHAERN CC(C)n1ccnc1C[S@](=O)CCc1ccccc1Cl ZINC000176883907 332961050 /nfs/dbraw/zinc/96/10/50/332961050.db2.gz FPPKIAGPEAQXTI-HXUWFJFHSA-N 0 0 310.850 3.609 10 0 DHAERN C[C@@H](NC(=O)c1ccccc1)c1cccc(Br)c1 ZINC000027745829 332962856 /nfs/dbraw/zinc/96/28/56/332962856.db2.gz SGRHZJOYWJVBCW-LLVKDONJSA-N 0 0 304.187 3.940 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCOc3ccncc32)cc1 ZINC000178385225 333009576 /nfs/dbraw/zinc/00/95/76/333009576.db2.gz ZXKTYNYFVOSAJX-SJORKVTESA-N 0 0 322.408 3.734 10 0 DHAERN Cc1nc2c(cnn2C)c(N[C@@H]2CC[C@@H](C)c3ccccc32)n1 ZINC000178609056 333016517 /nfs/dbraw/zinc/01/65/17/333016517.db2.gz JKFQTJXVLBZDGO-BDJLRTHQSA-N 0 0 307.401 3.722 10 0 DHAERN COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2C)cc1OC ZINC000178908532 333022251 /nfs/dbraw/zinc/02/22/51/333022251.db2.gz SYMBKVVGSQFHAQ-LBPRGKRZSA-N 0 0 317.360 3.642 10 0 DHAERN Cc1nc(N2CCC[C@H](C(F)(F)F)C2)ccc1Br ZINC000181700430 333031113 /nfs/dbraw/zinc/03/11/13/333031113.db2.gz NEYMASKWEPDMOT-VIFPVBQESA-N 0 0 323.156 3.931 10 0 DHAERN Cc1occc1CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000171743184 333053577 /nfs/dbraw/zinc/05/35/77/333053577.db2.gz VLWTZZPHLKUWRY-UONOGXRCSA-N 0 0 305.324 3.628 10 0 DHAERN Cc1cc2c(cc1C)O[C@@H](C(=O)N[C@H](C)c1cccs1)C2 ZINC000173094466 333068810 /nfs/dbraw/zinc/06/88/10/333068810.db2.gz LMHWDEQTLMSCQQ-IUODEOHRSA-N 0 0 301.411 3.546 10 0 DHAERN C[C@@H](NC(=O)CC[C@H]1CCOC1)c1ccc(C(C)(C)C)cc1 ZINC000176660252 333117273 /nfs/dbraw/zinc/11/72/73/333117273.db2.gz KNEXVIOFSQFOMM-CABCVRRESA-N 0 0 303.446 3.978 10 0 DHAERN C[C@H](NC(=O)CCc1nnc(C2CCCC2)o1)c1cccs1 ZINC000177719717 333131861 /nfs/dbraw/zinc/13/18/61/333131861.db2.gz VSUYXNMCBZMXDV-NSHDSACASA-N 0 0 319.430 3.599 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)COC(C)(C)C)C2)n1 ZINC000182033963 333148761 /nfs/dbraw/zinc/14/87/61/333148761.db2.gz FLDMHQSFAGNFEX-ZDUSSCGKSA-N 0 0 324.490 3.788 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000187955500 333154764 /nfs/dbraw/zinc/15/47/64/333154764.db2.gz JBCMZORSAPEROS-CABCVRRESA-N 0 0 321.486 3.881 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2NCc1ccc(Oc2ccccc2)o1 ZINC000180996032 333166544 /nfs/dbraw/zinc/16/65/44/333166544.db2.gz QJEYYMBQSIMWRQ-INIZCTEOSA-N 0 0 324.384 3.597 10 0 DHAERN C[C@@H]1COC[C@H](C)N1C(=O)CCCCCc1ccc(F)cc1 ZINC000188210133 333360727 /nfs/dbraw/zinc/36/07/27/333360727.db2.gz GSYPDBVHHNPXMZ-GASCZTMLSA-N 0 0 307.409 3.564 10 0 DHAERN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCO[C@H]2C)cc1Cl ZINC000188375931 333364612 /nfs/dbraw/zinc/36/46/12/333364612.db2.gz SBHONSIGSGNXQR-WCQYABFASA-N 0 0 311.809 3.881 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)c2cn3ccnc3s2)c2ccccc21 ZINC000188544126 333373221 /nfs/dbraw/zinc/37/32/21/333373221.db2.gz KVCREYRIRGDOPO-SMDDNHRTSA-N 0 0 311.410 3.764 10 0 DHAERN C[C@@H](Nc1ccccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000021794991 333389705 /nfs/dbraw/zinc/38/97/05/333389705.db2.gz VFWVQHCLMVBSEE-LLVKDONJSA-N 0 0 309.818 3.917 10 0 DHAERN CCCn1nccc1NC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182411460 333501275 /nfs/dbraw/zinc/50/12/75/333501275.db2.gz KOOQAGZVAATKNA-GUYCJALGSA-N 0 0 312.417 3.657 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)O1 ZINC000152063408 333592469 /nfs/dbraw/zinc/59/24/69/333592469.db2.gz OUFSCLHBWHMZLH-SMDDNHRTSA-N 0 0 320.389 3.540 10 0 DHAERN COC(=O)[C@H](N[C@H](C)c1ccc2ccccc2c1)c1cccnc1 ZINC000152107462 333612312 /nfs/dbraw/zinc/61/23/12/333612312.db2.gz KGQDZTZXEYTXRR-AUUYWEPGSA-N 0 0 320.392 3.800 10 0 DHAERN CCOC(=O)[C@H](C)N[C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000049367295 334326676 /nfs/dbraw/zinc/32/66/76/334326676.db2.gz VBKDMCRMROQGIR-SFYZADRCSA-N 0 0 308.180 3.735 10 0 DHAERN C[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccc(F)c(F)c1 ZINC000101568921 334327846 /nfs/dbraw/zinc/32/78/46/334327846.db2.gz GCWGPQCWMFMXNN-LLVKDONJSA-N 0 0 317.401 3.526 10 0 DHAERN Cc1ccc(CCC(=O)N2CCCc3c(N)cccc32)c(C)c1 ZINC000126577391 334860950 /nfs/dbraw/zinc/86/09/50/334860950.db2.gz MNJOVFFYBSEKMH-UHFFFAOYSA-N 0 0 308.425 3.798 10 0 DHAERN Cc1nc(CNc2ccc(-c3ccc(F)cc3)nn2)c(C)s1 ZINC000129044909 334904243 /nfs/dbraw/zinc/90/42/43/334904243.db2.gz SVCIVVRUPZIPBG-UHFFFAOYSA-N 0 0 314.389 3.968 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000113204337 335205936 /nfs/dbraw/zinc/20/59/36/335205936.db2.gz FOJZNYAKMCUODH-CQSZACIVSA-N 0 0 306.475 3.992 10 0 DHAERN C[C@H](NC(=O)NCc1cscn1)c1ccc2ccccc2c1 ZINC000051310430 335705852 /nfs/dbraw/zinc/70/58/52/335705852.db2.gz FZZRLQCAOCGGEK-LBPRGKRZSA-N 0 0 311.410 3.857 10 0 DHAERN COC(=O)[C@H]1CCCCN1Cc1cc(Cl)ccc1Cl ZINC000116325082 335883928 /nfs/dbraw/zinc/88/39/28/335883928.db2.gz YQTHBKMADSAQHW-CYBMUJFWSA-N 0 0 302.201 3.521 10 0 DHAERN FC(F)c1nc2ccccc2c(N2CCC[C@@H]2c2ncc[nH]2)n1 ZINC000329308615 335962325 /nfs/dbraw/zinc/96/23/25/335962325.db2.gz ZWWHEJSZGLTBPR-GFCCVEGCSA-N 0 0 315.327 3.632 10 0 DHAERN CC(C)[C@H](C)NC(=O)c1cc(Br)c(F)cc1F ZINC000192061222 336017159 /nfs/dbraw/zinc/01/71/59/336017159.db2.gz QGDOAEGVPYATEC-ZETCQYMHSA-N 0 0 306.150 3.502 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)CCC(=O)OC(C)(C)C)cc1 ZINC000192258362 336022999 /nfs/dbraw/zinc/02/29/99/336022999.db2.gz KKZGEHAGOBKFRB-CYBMUJFWSA-N 0 0 305.418 3.548 10 0 DHAERN O=C(CCc1ccccc1Cl)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113898303 336036029 /nfs/dbraw/zinc/03/60/29/336036029.db2.gz ATZURKRITSIGGP-MRXNPFEDSA-N 0 0 317.820 3.750 10 0 DHAERN O=C(Nc1ccccc1NC1CCCC1)c1cn2c(n1)CCCC2 ZINC000333081996 336197826 /nfs/dbraw/zinc/19/78/26/336197826.db2.gz MGAZFXVSTJTLIP-UHFFFAOYSA-N 0 0 324.428 3.826 10 0 DHAERN CC(C)c1cnc(NC(=O)N2C[C@]3(CCCO3)[C@@H]2C(C)C)s1 ZINC000333208275 336199827 /nfs/dbraw/zinc/19/98/27/336199827.db2.gz SRIUNXVGEOGWPE-XJKSGUPXSA-N 0 0 323.462 3.688 10 0 DHAERN Cc1ccoc1C(=O)N[C@H](C)c1cccc(Br)c1 ZINC000042238921 336239454 /nfs/dbraw/zinc/23/94/54/336239454.db2.gz XRMIAOBZRWTMHF-SNVBAGLBSA-N 0 0 308.175 3.842 10 0 DHAERN COC[C@@H](C)C(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000103357728 336240078 /nfs/dbraw/zinc/24/00/78/336240078.db2.gz UDPUGXHLEPDQRN-QGZVFWFLSA-N 0 0 311.425 3.540 10 0 DHAERN COC[C@@H](C)C(=O)Nc1cc(F)ccc1Oc1ccccc1 ZINC000103393855 336241457 /nfs/dbraw/zinc/24/14/57/336241457.db2.gz PROUWDQOBFCBRQ-GFCCVEGCSA-N 0 0 303.333 3.839 10 0 DHAERN COC[C@H](C)C(=O)N[C@H](C)c1ccc(OCCC(C)C)cc1 ZINC000103390879 336241464 /nfs/dbraw/zinc/24/14/64/336241464.db2.gz SITWCRUCUCWIGZ-LSDHHAIUSA-N 0 0 307.434 3.571 10 0 DHAERN CC(C)[C@H](C)NC(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000043067605 336244889 /nfs/dbraw/zinc/24/48/89/336244889.db2.gz SFYXIQSLMRZIQF-WFASDCNBSA-N 0 0 302.422 3.604 10 0 DHAERN CN(C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCCC1 ZINC000043165052 336246529 /nfs/dbraw/zinc/24/65/29/336246529.db2.gz HDMZROCIPMIYRO-MRXNPFEDSA-N 0 0 302.418 3.874 10 0 DHAERN CCn1cc(NC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cn1 ZINC000043644580 336270044 /nfs/dbraw/zinc/27/00/44/336270044.db2.gz NOXIJZCELQFDRJ-ZDUSSCGKSA-N 0 0 300.406 3.909 10 0 DHAERN Brc1csc(CN2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000043687345 336270101 /nfs/dbraw/zinc/27/01/01/336270101.db2.gz OTIPZFMFFMTLPG-STQMWFEESA-N 0 0 316.264 3.654 10 0 DHAERN COc1cc(F)c([C@@H](C)Nc2ccc(SC)nn2)cc1OC ZINC000301243619 336296516 /nfs/dbraw/zinc/29/65/16/336296516.db2.gz AIKSRBQYWGJJOF-SECBINFHSA-N 0 0 323.393 3.528 10 0 DHAERN CSc1ccc(NCc2ccccc2OC2CCC2)nn1 ZINC000301251916 336296809 /nfs/dbraw/zinc/29/68/09/336296809.db2.gz AGIJSAIZFNHIAL-UHFFFAOYSA-N 0 0 301.415 3.742 10 0 DHAERN Cc1ccc(CNc2cc(N3CCC[C@@H](C)C3)ncn2)s1 ZINC000301266534 336297673 /nfs/dbraw/zinc/29/76/73/336297673.db2.gz UFRVXTFMMFVXRY-GFCCVEGCSA-N 0 0 302.447 3.695 10 0 DHAERN C[C@H](Nc1ccc2nccnc2n1)c1ccc(F)cc1Cl ZINC000301282931 336298582 /nfs/dbraw/zinc/29/85/82/336298582.db2.gz PEQJFJPRSNSCCQ-VIFPVBQESA-N 0 0 302.740 3.990 10 0 DHAERN CCC(CC)[C@@H]1CCN(c2nc(Cl)c(C(=O)OC)s2)C1 ZINC000301366980 336302810 /nfs/dbraw/zinc/30/28/10/336302810.db2.gz OEAUSCGOLFPGAH-SNVBAGLBSA-N 0 0 316.854 3.846 10 0 DHAERN CCc1c(Cl)nc(C)nc1N[C@H]1CCN(c2ccccc2)C1 ZINC000301403361 336304661 /nfs/dbraw/zinc/30/46/61/336304661.db2.gz RXJRKEPHHFYGMM-ZDUSSCGKSA-N 0 0 316.836 3.692 10 0 DHAERN CCS[C@@H]1CC[C@@]1(O)CNc1ccnc2ccc(Cl)cc21 ZINC000301491472 336310149 /nfs/dbraw/zinc/31/01/49/336310149.db2.gz NNZDOOJCSOFNPQ-HZPDHXFCSA-N 0 0 322.861 3.947 10 0 DHAERN C[C@@H]1CCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)[C@@H]1C ZINC000301494689 336310187 /nfs/dbraw/zinc/31/01/87/336310187.db2.gz RZZXCWGQNRGZSG-GHMZBOCLSA-N 0 0 322.334 3.792 10 0 DHAERN CCc1cc(=O)[nH]c(-c2ccc(N3CC[C@@H]4CCCC[C@H]43)nc2)n1 ZINC000301563028 336315150 /nfs/dbraw/zinc/31/51/50/336315150.db2.gz JOLYNMSQWGSNHS-XJKSGUPXSA-N 0 0 324.428 3.576 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@H](Nc2cccc(C(F)(F)F)n2)C1 ZINC000301593598 336317162 /nfs/dbraw/zinc/31/71/62/336317162.db2.gz YGDAQHHHFGZVLJ-FLCAKIMKSA-N 0 0 320.380 3.592 10 0 DHAERN C[C@H](Cc1cccc(F)c1)Nc1c(F)c(F)nc(F)c1F ZINC000301604127 336317813 /nfs/dbraw/zinc/31/78/13/336317813.db2.gz LPBMXAUPBSKHTG-SSDOTTSWSA-N 0 0 302.246 3.820 10 0 DHAERN COc1cccc2c(NCCc3ncc(C)s3)cc(C)nc12 ZINC000301650304 336320733 /nfs/dbraw/zinc/32/07/33/336320733.db2.gz FXERPGPCQMCDRQ-UHFFFAOYSA-N 0 0 313.426 3.971 10 0 DHAERN CCc1sc([C@@H](C)Nc2nnnn2-c2ccccc2)cc1C ZINC000301766415 336328497 /nfs/dbraw/zinc/32/84/97/336328497.db2.gz HJMAZVFKAFHASV-GFCCVEGCSA-N 0 0 313.430 3.768 10 0 DHAERN CO[C@@H]1CCC[C@H](Nc2nc(C(F)F)nc3ccccc32)C1 ZINC000301781085 336329374 /nfs/dbraw/zinc/32/93/74/336329374.db2.gz NNJYACFLWVBWTG-WDEREUQCSA-N 0 0 307.344 3.937 10 0 DHAERN CCc1nc2sccc2c(N2CC[C@H](OCCC(C)C)C2)n1 ZINC000301821109 336332329 /nfs/dbraw/zinc/33/23/29/336332329.db2.gz BIUKBGMQQLLFQE-ZDUSSCGKSA-N 0 0 319.474 3.895 10 0 DHAERN OCCN(Cc1ccsc1)c1ccnc2ccc(Cl)cc21 ZINC000301825401 336332648 /nfs/dbraw/zinc/33/26/48/336332648.db2.gz DRZQZQIINHXQMA-UHFFFAOYSA-N 0 0 318.829 3.949 10 0 DHAERN Cc1nc(CNc2ncnc3sc4c(c32)CCC4)c(C)s1 ZINC000301839448 336333342 /nfs/dbraw/zinc/33/33/42/336333342.db2.gz OEXINYHEQCKVTQ-UHFFFAOYSA-N 0 0 316.455 3.865 10 0 DHAERN CCc1nc2sccc2c(NCc2nc(C)sc2C)n1 ZINC000301853543 336334340 /nfs/dbraw/zinc/33/43/40/336334340.db2.gz XXHOQQVMAPPCIG-UHFFFAOYSA-N 0 0 304.444 3.939 10 0 DHAERN C[C@@H](Nc1nc2ccccc2[nH]1)c1cccc(-n2ccnc2)c1 ZINC000301872542 336335402 /nfs/dbraw/zinc/33/54/02/336335402.db2.gz JERGLLDIZJZAPT-CYBMUJFWSA-N 0 0 303.369 3.922 10 0 DHAERN C[C@@H](Nc1nc(-c2ccccc2)nc2ccccc21)c1nc[nH]n1 ZINC000301914464 336337813 /nfs/dbraw/zinc/33/78/13/336337813.db2.gz FSYNFMVNLODFBQ-GFCCVEGCSA-N 0 0 316.368 3.588 10 0 DHAERN CCc1ncnc(N[C@H](Cc2ccccc2)C(F)(F)F)c1F ZINC000301916124 336337970 /nfs/dbraw/zinc/33/79/70/336337970.db2.gz DNNUFPDYYVONRM-GFCCVEGCSA-N 0 0 313.298 3.764 10 0 DHAERN CCc1cc(N2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)nc(C)n1 ZINC000302053705 336345776 /nfs/dbraw/zinc/34/57/76/336345776.db2.gz PJYKTBCKNILNDS-CJNGLKHVSA-N 0 0 311.429 3.738 10 0 DHAERN CCC1(CC)CN(c2nc3ccccc3cc2C)CC[S@@]1=O ZINC000302216467 336354310 /nfs/dbraw/zinc/35/43/10/336354310.db2.gz IPSUIBFGIYGQSM-QFIPXVFZSA-N 0 0 316.470 3.671 10 0 DHAERN CCc1ccc([C@H](C)Nc2nccn3c2nnc3C2CC2)cc1 ZINC000302230845 336355276 /nfs/dbraw/zinc/35/52/76/336355276.db2.gz YKHRBBYSVMQEIV-LBPRGKRZSA-N 0 0 307.401 3.737 10 0 DHAERN Cc1csc2nc(C)nc(N[C@H]3CCCCC[C@@H]3CO)c12 ZINC000302312650 336357158 /nfs/dbraw/zinc/35/71/58/336357158.db2.gz TYWUIYKMXYRSMG-OLZOCXBDSA-N 0 0 305.447 3.661 10 0 DHAERN O[C@]12CCCC[C@H]1CN(c1ccnc3c(F)cc(F)cc13)CC2 ZINC000302506635 336360395 /nfs/dbraw/zinc/36/03/95/336360395.db2.gz MXUGHSZPFYWHLW-SGTLLEGYSA-N 0 0 318.367 3.644 10 0 DHAERN CC(C)(C)n1ncc2c1ncnc2Oc1ccc2c(c1)CCC2=O ZINC000302521282 336360705 /nfs/dbraw/zinc/36/07/05/336360705.db2.gz ITUUMERMLOLMDT-UHFFFAOYSA-N 0 0 322.368 3.503 10 0 DHAERN C[C@@H](CNc1ccnc2c(F)cc(F)cc12)CC1(C)OCCO1 ZINC000302551340 336361456 /nfs/dbraw/zinc/36/14/56/336361456.db2.gz WHFFAEUYXSFXOU-LLVKDONJSA-N 0 0 322.355 3.714 10 0 DHAERN Cc1cc(Nc2ncncc2Cl)ccc1N1CCSCC1 ZINC000302640070 336363150 /nfs/dbraw/zinc/36/31/50/336363150.db2.gz LBJKXSCRSYDSNF-UHFFFAOYSA-N 0 0 320.849 3.735 10 0 DHAERN COc1cccc2c1ncc(C)c2N1CCC(c2cc[nH]n2)CC1 ZINC000302635941 336363219 /nfs/dbraw/zinc/36/32/19/336363219.db2.gz KEXHZUQDVRQVBX-UHFFFAOYSA-N 0 0 322.412 3.659 10 0 DHAERN Cc1csc(CCCNc2ncc(C(F)(F)F)s2)n1 ZINC000302661429 336363920 /nfs/dbraw/zinc/36/39/20/336363920.db2.gz BBXJYDUEPAVZNV-UHFFFAOYSA-N 0 0 307.366 3.972 10 0 DHAERN COC(=O)c1ccc(CNc2ccnc3c(F)cc(F)cc23)o1 ZINC000302729749 336366857 /nfs/dbraw/zinc/36/68/57/336366857.db2.gz RENGARLHAHKNRH-UHFFFAOYSA-N 0 0 318.279 3.505 10 0 DHAERN FC(F)(F)c1ccc2sc(=NOC[C@@H]3CCOC3)[nH]c2c1 ZINC000302752740 336367810 /nfs/dbraw/zinc/36/78/10/336367810.db2.gz HNHDGJXQEBYFPP-MRVPVSSYSA-N 0 0 318.320 3.695 10 0 DHAERN CC(C)Cc1nsc(Oc2ccc3c(c2)OC(=O)C[C@@H]3C)n1 ZINC000302811246 336370123 /nfs/dbraw/zinc/37/01/23/336370123.db2.gz GZMXNZGDXLLDPA-JTQLQIEISA-N 0 0 318.398 3.942 10 0 DHAERN CCC[C@]1(COC)CCCN1c1cnc2cc(F)c(F)cc2n1 ZINC000302833381 336371185 /nfs/dbraw/zinc/37/11/85/336371185.db2.gz SHLXIICCMWJUHV-QGZVFWFLSA-N 0 0 321.371 3.694 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1cc(Cl)nc(C2CC2)n1 ZINC000302839115 336371510 /nfs/dbraw/zinc/37/15/10/336371510.db2.gz YXZQRDQYTJTEKH-INIZCTEOSA-N 0 0 309.841 3.793 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)NC(C)(c2ccccc2)c2ccccc2)O1 ZINC000152461788 336387971 /nfs/dbraw/zinc/38/79/71/336387971.db2.gz QCDJWCADOHEIHM-QAPCUYQASA-N 0 0 309.409 3.634 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cccc(C(F)(F)F)n1 ZINC000108951284 336394706 /nfs/dbraw/zinc/39/47/06/336394706.db2.gz RYRPDXBLDQPAAB-LBPRGKRZSA-N 0 0 324.350 3.792 10 0 DHAERN O=C(c1cccc(Br)c1Cl)N1C[C@H]2CCC[C@H]21 ZINC000356598032 336555864 /nfs/dbraw/zinc/55/58/64/336555864.db2.gz OXPKEXJGIJRKIF-LDYMZIIASA-N 0 0 314.610 3.727 10 0 DHAERN CCO[C@H](CNC(=O)N[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000193350541 336697099 /nfs/dbraw/zinc/69/70/99/336697099.db2.gz VBDCCQYREHKAMQ-WMLDXEAASA-N 0 0 316.401 3.726 10 0 DHAERN COc1cccc(SCC(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000116045941 336830544 /nfs/dbraw/zinc/83/05/44/336830544.db2.gz WAMFMKPKXWGFTE-OAHLLOKOSA-N 0 0 317.410 3.744 10 0 DHAERN Brc1cccnc1N1CCC(c2nccs2)CC1 ZINC000367971783 336833365 /nfs/dbraw/zinc/83/33/65/336833365.db2.gz FJFLNLFHGSQMLB-UHFFFAOYSA-N 0 0 324.247 3.685 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(Br)c2)O1 ZINC000121790838 336977727 /nfs/dbraw/zinc/97/77/27/336977727.db2.gz BJIZOLDYDLYCJS-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)O1 ZINC000122906440 337030331 /nfs/dbraw/zinc/03/03/31/337030331.db2.gz BWUOBRVOSKPSJP-CABZTGNLSA-N 0 0 302.201 3.519 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@H](Oc2cccnc2)C1)c1ccccc1 ZINC000123177098 337038852 /nfs/dbraw/zinc/03/88/52/337038852.db2.gz UNOYBTSXNFJTHL-OALUTQOASA-N 0 0 324.424 3.501 10 0 DHAERN C[C@@H](NC(=O)N[C@@H]1CCOc2ccccc21)c1cccs1 ZINC000026243105 337050397 /nfs/dbraw/zinc/05/03/97/337050397.db2.gz SQMORHGUVPWTMG-DGCLKSJQSA-N 0 0 302.399 3.632 10 0 DHAERN Cc1csc([C@H]2CN(Cc3ccc(C)c(Cl)c3)CCO2)n1 ZINC000193847679 337079591 /nfs/dbraw/zinc/07/95/91/337079591.db2.gz GLNSSWGWCKMDCC-OAHLLOKOSA-N 0 0 322.861 3.987 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCc3cccnc32)cc1 ZINC000193852022 337079611 /nfs/dbraw/zinc/07/96/11/337079611.db2.gz NAVCTAZJBYGNHE-KDOFPFPSSA-N 0 0 308.425 3.941 10 0 DHAERN Cc1nn(C)c(Cl)c1CN1CCCC[C@H]1c1nccs1 ZINC000170748649 337083059 /nfs/dbraw/zinc/08/30/59/337083059.db2.gz LNKVVSHHXWFXIA-LBPRGKRZSA-N 0 0 310.854 3.566 10 0 DHAERN CCC(CC)CNC(=O)N[C@H](C)c1ccc(OC)c(OC)c1 ZINC000170926086 337085392 /nfs/dbraw/zinc/08/53/92/337085392.db2.gz FBGPYKSBCZRCBG-GFCCVEGCSA-N 0 0 308.422 3.500 10 0 DHAERN CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1COc2ccccc21 ZINC000171210866 337085917 /nfs/dbraw/zinc/08/59/17/337085917.db2.gz ONXBRHPMFBCUDD-QGZVFWFLSA-N 0 0 310.397 3.740 10 0 DHAERN Cn1cc([C@@H]2CCCN2C(=O)Nc2cccc(Cl)c2F)cn1 ZINC000171508506 337087667 /nfs/dbraw/zinc/08/76/67/337087667.db2.gz KOONPBVZPUPJCI-ZDUSSCGKSA-N 0 0 322.771 3.582 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(C)cc1 ZINC000172017035 337090851 /nfs/dbraw/zinc/09/08/51/337090851.db2.gz BFSWNOQLUCKPCB-MRXNPFEDSA-N 0 0 312.417 3.714 10 0 DHAERN Cc1csc([C@@H]2CCCN(Cc3ccn(C(C)C)n3)C2)n1 ZINC000172013184 337090882 /nfs/dbraw/zinc/09/08/82/337090882.db2.gz NRMZOUOTJLCQGS-CQSZACIVSA-N 0 0 304.463 3.609 10 0 DHAERN Fc1cccc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)c1 ZINC000172417312 337128864 /nfs/dbraw/zinc/12/88/64/337128864.db2.gz DSALKFALCSHMMM-HXUWFJFHSA-N 0 0 322.383 3.947 10 0 DHAERN Cc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)o1 ZINC000172593994 337130201 /nfs/dbraw/zinc/13/02/01/337130201.db2.gz JTBRKYHTKMWNKD-CHWSQXEVSA-N 0 0 304.365 3.713 10 0 DHAERN COc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H](C)C2)cc1OC ZINC000172749359 337130744 /nfs/dbraw/zinc/13/07/44/337130744.db2.gz RJWOJLKFQQQKPN-YDHLFZDLSA-N 0 0 305.418 3.707 10 0 DHAERN CC(C)COC1CCN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CC1 ZINC000172789143 337131077 /nfs/dbraw/zinc/13/10/77/337131077.db2.gz WHLVQVCQOPEPOA-ROUUACIJSA-N 0 0 307.478 3.866 10 0 DHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCS[C@H](C)C1 ZINC000173067156 337131873 /nfs/dbraw/zinc/13/18/73/337131873.db2.gz ALYHWOIQRFVPQQ-SNVBAGLBSA-N 0 0 310.488 3.687 10 0 DHAERN CCCCCCNC(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000173278987 337134172 /nfs/dbraw/zinc/13/41/72/337134172.db2.gz SUURGQHBWZGQDZ-AWEZNQCLSA-N 0 0 309.479 3.921 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)C2C(C)(C)C2(C)C)no1 ZINC000173377714 337135021 /nfs/dbraw/zinc/13/50/21/337135021.db2.gz DAENFRDVLISSPE-LLVKDONJSA-N 0 0 305.422 3.539 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(Cl)o3)C2)n1 ZINC000173428481 337135183 /nfs/dbraw/zinc/13/51/83/337135183.db2.gz TXYFJHWNPNAMKL-JTQLQIEISA-N 0 0 310.806 3.718 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3cccc(C)c3)C2)n1 ZINC000173414732 337135225 /nfs/dbraw/zinc/13/52/25/337135225.db2.gz PBGMMYADFNGBRE-HNNXBMFYSA-N 0 0 300.427 3.780 10 0 DHAERN CSc1ccc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452562 337135291 /nfs/dbraw/zinc/13/52/91/337135291.db2.gz ZPBNVIBNKLYWLU-QWHCGFSZSA-N 0 0 316.474 3.748 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)n1 ZINC000173429180 337135312 /nfs/dbraw/zinc/13/53/12/337135312.db2.gz MSVZKBOSDRPRNA-HNNXBMFYSA-N 0 0 300.427 3.780 10 0 DHAERN CSc1ccc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1 ZINC000173452534 337135329 /nfs/dbraw/zinc/13/53/29/337135329.db2.gz ZPBNVIBNKLYWLU-STQMWFEESA-N 0 0 316.474 3.748 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)CCC2CCCC2)no1 ZINC000173462204 337135379 /nfs/dbraw/zinc/13/53/79/337135379.db2.gz CAQGXYPSEPYVFU-CQSZACIVSA-N 0 0 305.422 3.827 10 0 DHAERN c1coc([C@@H]2CCCN2Cc2nc(CCc3ccccc3)no2)c1 ZINC000173759481 337135989 /nfs/dbraw/zinc/13/59/89/337135989.db2.gz RKJQIGNVGMPVTE-INIZCTEOSA-N 0 0 323.396 3.785 10 0 DHAERN CN(C)c1ccccc1CN1CCCC[C@@H]1c1nccs1 ZINC000173602074 337136752 /nfs/dbraw/zinc/13/67/52/337136752.db2.gz NVYCGXQQNYPXJM-MRXNPFEDSA-N 0 0 301.459 3.936 10 0 DHAERN CC[C@H](N[C@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1F ZINC000173621609 337136841 /nfs/dbraw/zinc/13/68/41/337136841.db2.gz KMGXMIHIZRSLRL-ABAIWWIYSA-N 0 0 320.387 3.695 10 0 DHAERN CCCCC[C@H](C)CC(=O)N1CCC(Cn2cccn2)CC1 ZINC000173633394 337137103 /nfs/dbraw/zinc/13/71/03/337137103.db2.gz BRRXXWJCHUUIDB-INIZCTEOSA-N 0 0 305.466 3.728 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)on1 ZINC000173965024 337137998 /nfs/dbraw/zinc/13/79/98/337137998.db2.gz VRPBMKYJJHTKJV-GFCCVEGCSA-N 0 0 319.430 3.583 10 0 DHAERN CSCCC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000173962271 337137999 /nfs/dbraw/zinc/13/79/99/337137999.db2.gz YBVGXTSMVQEAOK-GFCCVEGCSA-N 0 0 312.504 3.726 10 0 DHAERN CCn1c(C)nnc1CN1CCCc2cc(Cl)cc(C)c21 ZINC000174170803 337139673 /nfs/dbraw/zinc/13/96/73/337139673.db2.gz VVLRIKMKJPTWEJ-UHFFFAOYSA-N 0 0 304.825 3.521 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 ZINC000173992135 337140317 /nfs/dbraw/zinc/14/03/17/337140317.db2.gz NYZCXKISUFKQOO-ZDUSSCGKSA-N 0 0 307.463 3.673 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2cccc(C)c21 ZINC000176808408 337153301 /nfs/dbraw/zinc/15/33/01/337153301.db2.gz MFRPPQYZFPVXHH-INIZCTEOSA-N 0 0 321.428 3.630 10 0 DHAERN CC(C)n1ccnc1CS(=O)(=O)c1ccc2ccccc2c1 ZINC000176941385 337153872 /nfs/dbraw/zinc/15/38/72/337153872.db2.gz DANFRQBELBWFNN-UHFFFAOYSA-N 0 0 314.410 3.591 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2c(F)c(F)cc(F)c2F)o1 ZINC000177532785 337156615 /nfs/dbraw/zinc/15/66/15/337156615.db2.gz KNDHGFAFOPZBHY-ZETCQYMHSA-N 0 0 301.239 3.635 10 0 DHAERN CC(C)CC[C@@H](C)NC(=O)N1CCC[C@H]1c1noc(C(C)C)n1 ZINC000177341933 337156998 /nfs/dbraw/zinc/15/69/98/337156998.db2.gz CIACHBPKVTUAJP-KGLIPLIRSA-N 0 0 322.453 3.864 10 0 DHAERN CC1(C)CCCN1C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000177654551 337158290 /nfs/dbraw/zinc/15/82/90/337158290.db2.gz ORFCSAGXBXGZAM-AWEZNQCLSA-N 0 0 302.418 3.873 10 0 DHAERN CCCCCC[C@H](C)CC(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000177682286 337158355 /nfs/dbraw/zinc/15/83/55/337158355.db2.gz PPCBULCWNGBPGO-ZFWWWQNUSA-N 0 0 306.454 3.534 10 0 DHAERN Cc1cnc([C@H](C)NCc2cc(F)ccc2Br)o1 ZINC000220913948 337167085 /nfs/dbraw/zinc/16/70/85/337167085.db2.gz CURYUUYVRFIRTH-VIFPVBQESA-N 0 0 313.170 3.735 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccccc1NCc1ccccc1C ZINC000180389521 337174029 /nfs/dbraw/zinc/17/40/29/337174029.db2.gz CQOXQFDHLGNVMZ-HNNXBMFYSA-N 0 0 312.413 3.828 10 0 DHAERN CCn1c(C)nnc1COc1ccc(Oc2ccccc2)cc1 ZINC000180310091 337175832 /nfs/dbraw/zinc/17/58/32/337175832.db2.gz KLHUZRYISHQWPJ-UHFFFAOYSA-N 0 0 309.369 3.978 10 0 DHAERN COCCN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180332189 337175953 /nfs/dbraw/zinc/17/59/53/337175953.db2.gz OGJTUJMWLJBWFE-NVXWUHKLSA-N 0 0 318.461 3.519 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000180520694 337176159 /nfs/dbraw/zinc/17/61/59/337176159.db2.gz BFAFDDBOUHDTLC-JKSUJKDBSA-N 0 0 320.481 3.611 10 0 DHAERN CCc1nc(CC(=O)N[C@H]2c3cc(C)ccc3C[C@H]2C)cs1 ZINC000181257136 337180740 /nfs/dbraw/zinc/18/07/40/337180740.db2.gz RHHBKEMWKGOGKC-KZULUSFZSA-N 0 0 314.454 3.606 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)NCCCc1ccccn1)[C@H](C)C2 ZINC000181664833 337183702 /nfs/dbraw/zinc/18/37/02/337183702.db2.gz VMIHNMXIXUOYNX-DNVCBOLYSA-N 0 0 323.440 3.555 10 0 DHAERN C[C@H]1C[C@H](C(=O)NCc2nc3ccccc3n2C)CC(C)(C)C1 ZINC000182638548 337189218 /nfs/dbraw/zinc/18/92/18/337189218.db2.gz JKXGGWNHPNGIGV-KBPBESRZSA-N 0 0 313.445 3.652 10 0 DHAERN COCc1nc(CN[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 ZINC000182787109 337189877 /nfs/dbraw/zinc/18/98/77/337189877.db2.gz SNIGNFKNKHMWAR-AWEZNQCLSA-N 0 0 323.396 3.734 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2cc(C(N)=O)ccc2Cl)CC(C)(C)C1 ZINC000182897340 337190682 /nfs/dbraw/zinc/19/06/82/337190682.db2.gz HSEHOJZPZYHPIZ-PWSUYJOCSA-N 0 0 322.836 3.840 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC(C)(C)C1 ZINC000183532119 337192078 /nfs/dbraw/zinc/19/20/78/337192078.db2.gz QGISDGZHQQIALX-RBSFLKMASA-N 0 0 303.450 3.926 10 0 DHAERN C[C@@H]1C[C@H](C(=O)NCCCCNc2ccccn2)CC(C)(C)C1 ZINC000183662910 337194019 /nfs/dbraw/zinc/19/40/19/337194019.db2.gz PLTNCSGLMJKKLT-CVEARBPZSA-N 0 0 317.477 3.852 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000183673002 337194136 /nfs/dbraw/zinc/19/41/36/337194136.db2.gz IQQWCJRCGQTDOC-DCGLDWPTSA-N 0 0 317.477 3.773 10 0 DHAERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183989902 337194251 /nfs/dbraw/zinc/19/42/51/337194251.db2.gz YPRSKZDSDUBQJE-HUUCEWRRSA-N 0 0 305.466 3.618 10 0 DHAERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183989918 337194270 /nfs/dbraw/zinc/19/42/70/337194270.db2.gz YPRSKZDSDUBQJE-LSDHHAIUSA-N 0 0 305.466 3.618 10 0 DHAERN Cc1nccn1CCCCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183988307 337194319 /nfs/dbraw/zinc/19/43/19/337194319.db2.gz LPFMCEWTPVAGFH-GDBMZVCRSA-N 0 0 305.466 3.550 10 0 DHAERN Cc1cnc([C@@H](C)Nc2ncc(Cl)cc2Br)o1 ZINC000225827301 337194428 /nfs/dbraw/zinc/19/44/28/337194428.db2.gz CGLXCHGSRBLWLN-SSDOTTSWSA-N 0 0 316.586 3.967 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCC(c3ccnn3C)CC2)CC(C)(C)C1 ZINC000183885262 337195140 /nfs/dbraw/zinc/19/51/40/337195140.db2.gz FQWLMRRINLDFED-ZBFHGGJFSA-N 0 0 317.477 3.589 10 0 DHAERN CCc1nccn1[C@@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC000184118103 337196424 /nfs/dbraw/zinc/19/64/24/337196424.db2.gz GKNFRMJCDHUTGP-MRXNPFEDSA-N 0 0 317.477 3.970 10 0 DHAERN C[C@H](NC(=O)Nc1ccncc1F)c1ccc(F)c(Cl)c1 ZINC000184189192 337196712 /nfs/dbraw/zinc/19/67/12/337196712.db2.gz WIHUWHQJJVSZAF-QMMMGPOBSA-N 0 0 311.719 3.896 10 0 DHAERN CC(C)[C@@H](O)CC(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000184602524 337199379 /nfs/dbraw/zinc/19/93/79/337199379.db2.gz KPAPOLDGUODAAN-NSHDSACASA-N 0 0 309.715 3.704 10 0 DHAERN Cc1cccnc1/C=C/C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000185176452 337202471 /nfs/dbraw/zinc/20/24/71/337202471.db2.gz WEKBVJRNOKPGJM-SXSDINLZSA-N 0 0 322.408 3.822 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CCC[C@@H]1Cn1ccnc1C ZINC000185779885 337251225 /nfs/dbraw/zinc/25/12/25/337251225.db2.gz RHWORBPSTJPJNQ-OAHLLOKOSA-N 0 0 323.396 3.551 10 0 DHAERN Cc1ncsc1/C=C/C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000186599263 337257821 /nfs/dbraw/zinc/25/78/21/337257821.db2.gz BJFWVBGRZPDCFV-BTDICHCPSA-N 0 0 319.455 3.675 10 0 DHAERN C[C@H](NC(=O)c1ccnc2ccncc21)c1ccc(Cl)cc1 ZINC000186746066 337259153 /nfs/dbraw/zinc/25/91/53/337259153.db2.gz NCPLVQMQXBMJPM-NSHDSACASA-N 0 0 311.772 3.774 10 0 DHAERN Cc1ccc(CN(C(=O)[C@H]2CCCO[C@@H]2C)C2CC2)cc1C ZINC000187997601 337270795 /nfs/dbraw/zinc/27/07/95/337270795.db2.gz DVMUQACLYAKERN-QAPCUYQASA-N 0 0 301.430 3.610 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@H]1CCCn2nc(C)nc21 ZINC000188223985 337272350 /nfs/dbraw/zinc/27/23/50/337272350.db2.gz WPLQWFHJZGMRLC-YOEHRIQHSA-N 0 0 306.454 3.534 10 0 DHAERN CCCCC[C@](C)(CC)C(=O)N[C@@H]1CCCn2nc(C)nc21 ZINC000188223940 337272386 /nfs/dbraw/zinc/27/23/86/337272386.db2.gz WPLQWFHJZGMRLC-PBHICJAKSA-N 0 0 306.454 3.534 10 0 DHAERN COc1ccccc1[C@H](CC(C)C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000188683690 337274941 /nfs/dbraw/zinc/27/49/41/337274941.db2.gz FRCQTKLQWPGLNW-ZOBUZTSGSA-N 0 0 319.445 3.714 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000188996526 337276325 /nfs/dbraw/zinc/27/63/25/337276325.db2.gz MPTZXHXVNHXCKV-MAUKXSAKSA-N 0 0 324.424 3.620 10 0 DHAERN Cc1ccn(C)c1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000190176592 337285341 /nfs/dbraw/zinc/28/53/41/337285341.db2.gz GPBSNYBTZCHKNY-MRXNPFEDSA-N 0 0 324.424 3.900 10 0 DHAERN CC(C)c1cnc(C[N@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)s1 ZINC000190283783 337286465 /nfs/dbraw/zinc/28/64/65/337286465.db2.gz STKOKQAHYXIYKG-KBPBESRZSA-N 0 0 322.499 3.536 10 0 DHAERN COc1cccc(Cl)c1CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000190515683 337288724 /nfs/dbraw/zinc/28/87/24/337288724.db2.gz XZSIYJCIQJDZKV-LLVKDONJSA-N 0 0 322.792 3.810 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCC2=CCCCC2)o1 ZINC000193113952 337308281 /nfs/dbraw/zinc/30/82/81/337308281.db2.gz DRPQQZXZJMJSSD-LSDHHAIUSA-N 0 0 304.434 3.634 10 0 DHAERN Cc1ccc([C@H](C)N[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)o1 ZINC000193114402 337308315 /nfs/dbraw/zinc/30/83/15/337308315.db2.gz OVNNVEOIMRQPAB-AFHWFKKNSA-N 0 0 306.450 3.568 10 0 DHAERN CCOC(=O)[C@@H](N[C@H](C)c1ccccn1)c1ccc(Cl)cc1 ZINC000192944769 337308581 /nfs/dbraw/zinc/30/85/81/337308581.db2.gz USGFWFRBZHZXPF-WBMJQRKESA-N 0 0 318.804 3.690 10 0 DHAERN CCC/C(=C/C[C@]1(C)C(=O)CC[C@H]1O)c1ccc(OC)cc1 ZINC000584603196 337371129 /nfs/dbraw/zinc/37/11/29/337371129.db2.gz MKRNABORWAOGCY-ZCDHQZBXSA-N 0 0 302.414 3.999 10 0 DHAERN O=C(Cc1cccc2nccn21)Nc1ccc(C(F)(F)F)cc1 ZINC000584605176 337371490 /nfs/dbraw/zinc/37/14/90/337371490.db2.gz HOWSAQDWRUJZJJ-UHFFFAOYSA-N 0 0 319.286 3.534 10 0 DHAERN C[C@@H](c1ccccn1)n1ccc2ncc(Br)cc21 ZINC000584620257 337372199 /nfs/dbraw/zinc/37/21/99/337372199.db2.gz WNQDPKKKUUYPCS-JTQLQIEISA-N 0 0 302.175 3.803 10 0 DHAERN Cn1cc(-c2ccc(-c3cncc4ccc(=O)[nH]c43)c(F)c2)cn1 ZINC000584616030 337372932 /nfs/dbraw/zinc/37/29/32/337372932.db2.gz UBYUNEPMZKYJBB-UHFFFAOYSA-N 0 0 320.327 3.542 10 0 DHAERN COc1ccc2c(c1)CC[C@H]1[C@@H]3CO[C@@H](OC)[C@@]3(C)CC[C@H]21 ZINC000584617765 337373161 /nfs/dbraw/zinc/37/31/61/337373161.db2.gz PIAFYQWRSNCWID-FQBWVUSXSA-N 0 0 302.414 3.760 10 0 DHAERN O=S(=O)(c1ccccc1)n1ccc2cc(Cl)cc(F)c21 ZINC000584618451 337373177 /nfs/dbraw/zinc/37/31/77/337373177.db2.gz QIIYYUJRBPKLHE-UHFFFAOYSA-N 0 0 309.749 3.671 10 0 DHAERN Cc1c2cc(F)cc(-c3ccc(F)cc3F)c2[nH]c1C(N)=O ZINC000584618937 337373326 /nfs/dbraw/zinc/37/33/26/337373326.db2.gz ZBZLIKUKYSBUKG-UHFFFAOYSA-N 0 0 304.271 3.660 10 0 DHAERN CCOC(=O)C[C@H](O)Cc1ccc(C2=CCCCCC2)cc1 ZINC000584594804 337373877 /nfs/dbraw/zinc/37/38/77/337373877.db2.gz YFGRZHMJYYKNEQ-GOSISDBHSA-N 0 0 302.414 3.891 10 0 DHAERN CCOC(=O)[C@H](c1ccccc1F)P(=O)(OCC)OCC ZINC000584595575 337374085 /nfs/dbraw/zinc/37/40/85/337374085.db2.gz MQHFFDMMEHLZFG-ZDUSSCGKSA-N 0 0 318.281 3.696 10 0 DHAERN COC(=O)c1ccc(-c2cncn2CCc2ccc(F)cc2)cc1 ZINC000584598524 337374535 /nfs/dbraw/zinc/37/45/35/337374535.db2.gz SVTXCQUCLFGHML-UHFFFAOYSA-N 0 0 324.355 3.719 10 0 DHAERN COc1ccccc1[C@H](O)[C@@H](c1ccccc1)c1ccccn1 ZINC000584629655 337376622 /nfs/dbraw/zinc/37/66/22/337376622.db2.gz NPIGANGUIZQIKO-PMACEKPBSA-N 0 0 305.377 3.956 10 0 DHAERN CCC(CC)CNC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O ZINC000584631969 337376928 /nfs/dbraw/zinc/37/69/28/337376928.db2.gz GGGXCJBBFOSPHS-UHFFFAOYSA-N 0 0 316.376 3.759 10 0 DHAERN CC1=C(c2ccccc2)NC(c2ccccc2)=C(C)S1(=O)=O ZINC000584636039 337377508 /nfs/dbraw/zinc/37/75/08/337377508.db2.gz IAPKDHRNCZRXHC-UHFFFAOYSA-N 0 0 311.406 3.782 10 0 DHAERN CC(C)c1ccncc1-c1nnn(Cc2ccccc2Cl)n1 ZINC000584662230 337378381 /nfs/dbraw/zinc/37/83/81/337378381.db2.gz UDCHCVNTNJYMMI-UHFFFAOYSA-N 0 0 313.792 3.560 10 0 DHAERN O=C(N[C@H]1CCOc2ccccc21)c1cc(Cl)c(Cl)[nH]1 ZINC000023693786 337386322 /nfs/dbraw/zinc/38/63/22/337386322.db2.gz RRCANUNDYDIVLG-JTQLQIEISA-N 0 0 311.168 3.575 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)CCCc2nc3ccccc3[nH]2)o1 ZINC000029260338 337389098 /nfs/dbraw/zinc/38/90/98/337389098.db2.gz RJFNHDVAFVDOIV-CYBMUJFWSA-N 0 0 311.385 3.664 10 0 DHAERN c1coc(-c2noc(CN3CCC[C@H]3c3cccs3)n2)c1 ZINC000029962647 337389890 /nfs/dbraw/zinc/38/98/90/337389890.db2.gz ABRRNGDYQRIHIB-NSHDSACASA-N 0 0 301.371 3.728 10 0 DHAERN Cc1ccc(CCCC(=O)N2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000113897722 337391276 /nfs/dbraw/zinc/39/12/76/337391276.db2.gz NEFCEGJNZHLQEE-SFHVURJKSA-N 0 0 311.429 3.795 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000114511439 337391563 /nfs/dbraw/zinc/39/15/63/337391563.db2.gz JCRYEWPYWPPVOM-HNNXBMFYSA-N 0 0 316.380 3.545 10 0 DHAERN O=C(COC1CCCCC1)N1CCCC[C@@H]1c1nccs1 ZINC000115367371 337392102 /nfs/dbraw/zinc/39/21/02/337392102.db2.gz TVOQZCSTOVIQQI-CQSZACIVSA-N 0 0 308.447 3.546 10 0 DHAERN O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@@H]1c1ccco1 ZINC000116046659 337392218 /nfs/dbraw/zinc/39/22/18/337392218.db2.gz GLLPHFMMJGLXON-OAGJVSPASA-N 0 0 319.364 3.600 10 0 DHAERN O=C(COc1ccccc1Cl)N1CCC[C@H]1c1ccco1 ZINC000116040018 337392227 /nfs/dbraw/zinc/39/22/27/337392227.db2.gz LABGCEKPOCRNML-ZDUSSCGKSA-N 0 0 305.761 3.676 10 0 DHAERN O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@H]1c1ccco1 ZINC000116041961 337392256 /nfs/dbraw/zinc/39/22/56/337392256.db2.gz GPQHRRLKKUAXQA-AWEZNQCLSA-N 0 0 321.323 3.787 10 0 DHAERN O=C(Cc1ccc(OC(F)F)cc1)N1CCC[C@@H]1c1ccco1 ZINC000116041963 337392264 /nfs/dbraw/zinc/39/22/64/337392264.db2.gz GPQHRRLKKUAXQA-CQSZACIVSA-N 0 0 321.323 3.787 10 0 DHAERN O=C(CCn1ccc2ccccc21)N1CCC[C@H]1c1ccco1 ZINC000116211898 337392592 /nfs/dbraw/zinc/39/25/92/337392592.db2.gz KLKODRQQHQFWEF-KRWDZBQOSA-N 0 0 308.381 3.988 10 0 DHAERN CCOc1ccccc1CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000116423718 337392682 /nfs/dbraw/zinc/39/26/82/337392682.db2.gz MZAZIXBUYCSSBX-HNNXBMFYSA-N 0 0 314.385 3.725 10 0 DHAERN Cc1cc(CNC(=O)N2CCC[C@@H]2c2ccco2)ccc1F ZINC000116413827 337392741 /nfs/dbraw/zinc/39/27/41/337392741.db2.gz ZTZGTNBKPKICQU-OAHLLOKOSA-N 0 0 302.349 3.774 10 0 DHAERN COCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000123543598 337399733 /nfs/dbraw/zinc/39/97/33/337399733.db2.gz RXMFRLIGZWWILB-GJZGRUSLSA-N 0 0 322.449 3.507 10 0 DHAERN CCC1CCC(NC(=O)c2cncc(Br)c2)CC1 ZINC000042239099 337406402 /nfs/dbraw/zinc/40/64/02/337406402.db2.gz VAXSCFFOXRRGFQ-UHFFFAOYSA-N 0 0 311.223 3.543 10 0 DHAERN O=C(Cn1ccc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000044442375 337416660 /nfs/dbraw/zinc/41/66/60/337416660.db2.gz TUGZEDIIRNVSGO-SFHVURJKSA-N 0 0 304.393 3.835 10 0 DHAERN Cc1noc(C2CC2)c1NC(=O)N1CCC[C@@H]1c1ccco1 ZINC000129163611 337428378 /nfs/dbraw/zinc/42/83/78/337428378.db2.gz OAKCOVKKXYPVKL-GFCCVEGCSA-N 0 0 301.346 3.822 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)Cc2c(C)noc2Cl)o1 ZINC000129198923 337428689 /nfs/dbraw/zinc/42/86/89/337428689.db2.gz YCRDBZUWXUBQRJ-CYBMUJFWSA-N 0 0 322.792 3.834 10 0 DHAERN C[C@H](NC(=O)C(=O)Nc1cccc2ccccc21)c1cccs1 ZINC000048879833 337436003 /nfs/dbraw/zinc/43/60/03/337436003.db2.gz RNKSTFKQCNHMLY-LBPRGKRZSA-N 0 0 324.405 3.717 10 0 DHAERN O=C(c1cccc(F)c1)N1CCC[C@@H](COc2ccccc2)C1 ZINC000062555139 337460108 /nfs/dbraw/zinc/46/01/08/337460108.db2.gz XKERDPDYJKASKF-OAHLLOKOSA-N 0 0 313.372 3.757 10 0 DHAERN CC(C)n1nnnc1CNc1ccc(C(F)(F)F)cc1Cl ZINC000194987808 337464578 /nfs/dbraw/zinc/46/45/78/337464578.db2.gz QTQRJGKOFJWILQ-UHFFFAOYSA-N 0 0 319.718 3.538 10 0 DHAERN Cc1cccc2nc(CN3CCCC[C@H]3c3nccs3)cn21 ZINC000195359511 337466198 /nfs/dbraw/zinc/46/61/98/337466198.db2.gz GHHDPZNENVDAGX-HNNXBMFYSA-N 0 0 312.442 3.826 10 0 DHAERN CCn1c(SCc2nccn2C(C)C)nnc1-c1ccco1 ZINC000195516461 337468061 /nfs/dbraw/zinc/46/80/61/337468061.db2.gz ZCSLMCUGPAAPOQ-UHFFFAOYSA-N 0 0 317.418 3.628 10 0 DHAERN C[C@@H]1C[C@H](CC(=O)N2CCC[C@H]2c2cnn(C)c2)CC(C)(C)C1 ZINC000245849715 337495367 /nfs/dbraw/zinc/49/53/67/337495367.db2.gz KXZATCIIFOMARO-INMHGKMJSA-N 0 0 317.477 3.936 10 0 DHAERN COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CC[C@@H](C)O2)cc1 ZINC000245974203 337500753 /nfs/dbraw/zinc/50/07/53/337500753.db2.gz FYZGNOGIUHTTTG-JLSDUUJJSA-N 0 0 317.429 3.706 10 0 DHAERN Nc1cccc(-c2nc(-c3cc(Br)cs3)no2)c1 ZINC000071302748 337547055 /nfs/dbraw/zinc/54/70/55/337547055.db2.gz LRPXYQOVAAXCGL-UHFFFAOYSA-N 0 0 322.187 3.810 10 0 DHAERN COC[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000246707389 337554568 /nfs/dbraw/zinc/55/45/68/337554568.db2.gz XSQYJNKJWPXNFS-HDMKZQKVSA-N 0 0 316.445 3.693 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)o1 ZINC000247505552 337560121 /nfs/dbraw/zinc/56/01/21/337560121.db2.gz VGXRPNWAPYPKQV-JKOKRWQUSA-N 0 0 305.324 3.847 10 0 DHAERN Cc1csc([C@H]2CN([C@H](C)c3c(F)cccc3F)CCO2)n1 ZINC000249910081 337572312 /nfs/dbraw/zinc/57/23/12/337572312.db2.gz VSGLGWNMWNYKKP-BXUZGUMPSA-N 0 0 324.396 3.864 10 0 DHAERN CSc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000076958402 337574553 /nfs/dbraw/zinc/57/45/53/337574553.db2.gz UDZQGNSIXXBXPC-OLZOCXBDSA-N 0 0 319.426 3.955 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccs3)C2)cc1 ZINC000078187889 337592333 /nfs/dbraw/zinc/59/23/33/337592333.db2.gz MDPOQSJIKCTJKL-GXTWGEPZSA-N 0 0 301.411 3.775 10 0 DHAERN C[C@H]1CCc2nc(NC(=O)c3ccc(N)cc3Cl)sc2C1 ZINC000262685730 337620587 /nfs/dbraw/zinc/62/05/87/337620587.db2.gz YJVSQSVPVAXWQL-QMMMGPOBSA-N 0 0 321.833 3.756 10 0 DHAERN CCC(CC)(C[NH2+][C@H]1CCCc2cc(OC)ccc21)C(=O)[O-] ZINC000263085859 337624284 /nfs/dbraw/zinc/62/42/84/337624284.db2.gz SNCCMQUUBLWNPA-INIZCTEOSA-N 0 0 305.418 3.553 10 0 DHAERN CC1(C)C[C@@H]([NH2+]C2CCC(C(=O)[O-])CC2)c2ccc(F)cc2O1 ZINC000263382024 337627260 /nfs/dbraw/zinc/62/72/60/337627260.db2.gz BWCYDEYLGYXPBM-ABIUDSBCSA-N 0 0 321.392 3.661 10 0 DHAERN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)[C@@H]1CCCc2ccccc21 ZINC000263421166 337628523 /nfs/dbraw/zinc/62/85/23/337628523.db2.gz OXTDLRDYARUFJV-MFNRNEDNSA-N 0 0 301.430 3.728 10 0 DHAERN O=C([O-])CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000263532726 337631419 /nfs/dbraw/zinc/63/14/19/337631419.db2.gz XMSUOLRESCLHRW-SQNIBIBYSA-N 0 0 301.430 3.631 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)CCC2CCOCC2)c2ccccc21 ZINC000162763089 337664780 /nfs/dbraw/zinc/66/47/80/337664780.db2.gz JHEZQPBWADQURD-KBXCAEBGSA-N 0 0 301.430 3.948 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)c(F)c1 ZINC000080753855 337682509 /nfs/dbraw/zinc/68/25/09/337682509.db2.gz BJSOQXGLRCQLJF-HOTGVXAUSA-N 0 0 316.380 3.636 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1csc(C2CCCC2)n1 ZINC000081569857 337725918 /nfs/dbraw/zinc/72/59/18/337725918.db2.gz SMBYPQXLRKJNQA-LBPRGKRZSA-N 0 0 324.490 3.963 10 0 DHAERN CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000045683201 337826742 /nfs/dbraw/zinc/82/67/42/337826742.db2.gz PJLXJMXCQLMMOI-CMPLNLGQSA-N 0 0 316.854 3.501 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000117254514 337846798 /nfs/dbraw/zinc/84/67/98/337846798.db2.gz VOUXHHIAJPSIDA-SJORKVTESA-N 0 0 305.466 3.962 10 0 DHAERN O=C(NCc1cccc(O)c1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000056941448 337853967 /nfs/dbraw/zinc/85/39/67/337853967.db2.gz QTDYNUNEDVJQSK-INIZCTEOSA-N 0 0 316.788 3.532 10 0 DHAERN CCCC(=O)Nc1ccc(Cl)c(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000119838963 337864924 /nfs/dbraw/zinc/86/49/24/337864924.db2.gz DWBHYWVDHVAWOB-JOYOIKCWSA-N 0 0 309.797 3.609 10 0 DHAERN CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)c1nc2ccccc2n1C ZINC000120139854 337870497 /nfs/dbraw/zinc/87/04/97/337870497.db2.gz ZXFOMQIEFHWCDN-LSDHHAIUSA-N 0 0 311.429 3.753 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CCCCO1)c1c(Cl)ccc(F)c1Cl ZINC000120211192 337871545 /nfs/dbraw/zinc/87/15/45/337871545.db2.gz BURSCWISECWZPO-KCJUWKMLSA-N 0 0 320.191 3.879 10 0 DHAERN Brc1cncnc1N[C@H]1CCCc2ccccc21 ZINC000090781107 337885401 /nfs/dbraw/zinc/88/54/01/337885401.db2.gz UUWFCSLAKKFKEZ-ZDUSSCGKSA-N 0 0 304.191 3.729 10 0 DHAERN C[C@H]1c2ccccc2O[C@H]1C(=O)OCc1nc(C2CC2)cs1 ZINC000091135628 337889878 /nfs/dbraw/zinc/88/98/78/337889878.db2.gz LZKIFQMQIOUANP-MGPLVRAMSA-N 0 0 315.394 3.628 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)o1 ZINC000091618421 337893816 /nfs/dbraw/zinc/89/38/16/337893816.db2.gz QMTGYLYWTDXYBZ-RISCZKNCSA-N 0 0 316.405 3.536 10 0 DHAERN CCC1CCC(NC(=O)CCc2ccc(OC)c(OC)c2)CC1 ZINC000121616245 337896021 /nfs/dbraw/zinc/89/60/21/337896021.db2.gz BQIRMDUWGCCZFN-UHFFFAOYSA-N 0 0 319.445 3.721 10 0 DHAERN Cc1cccc(C2=CCN(C(=O)c3ccc(C=O)cc3)CC2)c1 ZINC000092696246 337907492 /nfs/dbraw/zinc/90/74/92/337907492.db2.gz YDDVMHICYSBVFR-UHFFFAOYSA-N 0 0 305.377 3.737 10 0 DHAERN CC1(C)CN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CCS1 ZINC000083643103 337995923 /nfs/dbraw/zinc/99/59/23/337995923.db2.gz VPVWLKUGTCUIMV-MNOVXSKESA-N 0 0 324.412 3.645 10 0 DHAERN O[C@@H]1CCCC[C@@H]1CNc1ncc(C(F)(F)F)cc1Cl ZINC000086015853 338013275 /nfs/dbraw/zinc/01/32/75/338013275.db2.gz FNAGPCNTRWJREV-LDYMZIIASA-N 0 0 308.731 3.717 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)O1 ZINC000154153021 338237907 /nfs/dbraw/zinc/23/79/07/338237907.db2.gz JDVMVBJVZOSIQT-HQJQHLMTSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Cl)cc2Br)O1 ZINC000155710326 338303754 /nfs/dbraw/zinc/30/37/54/338303754.db2.gz CAJJEYDIXZJGRU-HQJQHLMTSA-N 0 0 318.598 3.609 10 0 DHAERN CC(C)[C@@H](C)NC(=O)c1ccc(Cl)cc1Br ZINC000157481534 338424739 /nfs/dbraw/zinc/42/47/39/338424739.db2.gz JQTLWWJXKZEWBV-MRVPVSSYSA-N 0 0 304.615 3.877 10 0 DHAERN O=C(c1ccc2cc[nH]c2c1)N1CCOc2ccc(Cl)cc21 ZINC000172683736 340336572 /nfs/dbraw/zinc/33/65/72/340336572.db2.gz XEZBVIOJWGEONM-UHFFFAOYSA-N 0 0 312.756 3.861 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(F)cc1Cl ZINC000172965664 340350307 /nfs/dbraw/zinc/35/03/07/340350307.db2.gz UNYSAYVLKCXWDG-GFCCVEGCSA-N 0 0 321.779 3.814 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCSc2ncccc21 ZINC000173300602 340361841 /nfs/dbraw/zinc/36/18/41/340361841.db2.gz JHLGSKFRFAOTKC-UONOGXRCSA-N 0 0 302.443 3.737 10 0 DHAERN Cc1cc(Cl)cc2c1N(Cc1nnc(C3CC3)n1C)CCC2 ZINC000174170549 340383457 /nfs/dbraw/zinc/38/34/57/340383457.db2.gz GVRPNSHUNKQEGM-UHFFFAOYSA-N 0 0 316.836 3.607 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1ccc(F)cc1 ZINC000174173689 340383556 /nfs/dbraw/zinc/38/35/56/340383556.db2.gz KPSVBPWIAOOASF-CYBMUJFWSA-N 0 0 302.349 3.553 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc(F)cc1)c1cccc(-n2ccnc2)c1 ZINC000174173831 340383584 /nfs/dbraw/zinc/38/35/84/340383584.db2.gz XFPHSDJUKMXCOE-CYBMUJFWSA-N 0 0 324.359 3.894 10 0 DHAERN Cc1ccc2[nH]cc(CCC(=O)N[C@H]3COc4ccccc43)c2c1 ZINC000174379551 340387197 /nfs/dbraw/zinc/38/71/97/340387197.db2.gz QBBYRZWAMJNHCI-SFHVURJKSA-N 0 0 320.392 3.659 10 0 DHAERN C[C@@H](CNC(=O)N[C@@H](C)c1cccs1)Oc1ccc(F)cc1 ZINC000174818688 340396685 /nfs/dbraw/zinc/39/66/85/340396685.db2.gz KEPVHKBKMNWOKW-RYUDHWBXSA-N 0 0 322.405 3.715 10 0 DHAERN CC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCS1 ZINC000174852485 340397554 /nfs/dbraw/zinc/39/75/54/340397554.db2.gz GPGFCFBGZVNHCN-SDDRHHMPSA-N 0 0 324.412 3.645 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)o1 ZINC000175343454 340409917 /nfs/dbraw/zinc/40/99/17/340409917.db2.gz NKFJGIDXSXDLMS-BXUZGUMPSA-N 0 0 319.430 3.864 10 0 DHAERN CO[C@H](C)c1nc(C)c(C(=O)N[C@@H](C)c2cccs2)s1 ZINC000175359240 340410726 /nfs/dbraw/zinc/41/07/26/340410726.db2.gz DXOOABNDWFZCIX-WCBMZHEXSA-N 0 0 310.444 3.711 10 0 DHAERN COc1ccc(-c2csc(CNC(=O)N[C@@H]3C[C@@H]3C)c2)cc1 ZINC000176516471 340428140 /nfs/dbraw/zinc/42/81/40/340428140.db2.gz GSFYGNQPZBPIHJ-MEDUHNTESA-N 0 0 316.426 3.631 10 0 DHAERN C[C@@H](Oc1cccc(F)c1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000178164789 340447410 /nfs/dbraw/zinc/44/74/10/340447410.db2.gz VKRGAEHUURJKAP-NWDGAFQWSA-N 0 0 305.324 3.610 10 0 DHAERN C[C@@H](Oc1cc(F)ccc1F)C(=O)N[C@@H](C)c1ccccc1 ZINC000178169489 340447480 /nfs/dbraw/zinc/44/74/80/340447480.db2.gz QFAMUMHVPDQFOL-NWDGAFQWSA-N 0 0 305.324 3.610 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCCc2cscn2)cc1 ZINC000178646438 340451136 /nfs/dbraw/zinc/45/11/36/340451136.db2.gz UVPUMVACCSCRAI-ZDUSSCGKSA-N 0 0 317.458 3.869 10 0 DHAERN CCOC[C@H]1CCCN(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)C1 ZINC000087294284 340455681 /nfs/dbraw/zinc/45/56/81/340455681.db2.gz CDJNOXRQPDXALI-GJZGRUSLSA-N 0 0 322.424 3.653 10 0 DHAERN COC(=O)[C@@H](N[C@@H](C)c1ccc(C)c(F)c1)c1ccccc1 ZINC000088255059 340459689 /nfs/dbraw/zinc/45/96/89/340459689.db2.gz WMFRNXIACQHDBA-GUYCJALGSA-N 0 0 301.361 3.699 10 0 DHAERN C[C@H](NC(=O)CCc1ccc(O)cc1)c1ccc(Cl)cc1 ZINC000183312505 340487437 /nfs/dbraw/zinc/48/74/37/340487437.db2.gz UGZPRHXYDFFEES-LBPRGKRZSA-N 0 0 303.789 3.856 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)O1 ZINC000152552289 340491064 /nfs/dbraw/zinc/49/10/64/340491064.db2.gz YYYBNVOWDZNOLS-FZMZJTMJSA-N 0 0 320.389 3.540 10 0 DHAERN C[C@H](NC(=O)C1=CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000184234000 340491449 /nfs/dbraw/zinc/49/14/49/340491449.db2.gz JHPAMJJBXFSICE-HNNXBMFYSA-N 0 0 307.393 3.878 10 0 DHAERN CC(C)C[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000185517633 340502216 /nfs/dbraw/zinc/50/22/16/340502216.db2.gz TVGVVHFKTGEQKI-GXTWGEPZSA-N 0 0 301.352 3.958 10 0 DHAERN COC1(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CCCCC1 ZINC000186312527 340511052 /nfs/dbraw/zinc/51/10/52/340511052.db2.gz YGCLIKSGCMFLAL-KGLIPLIRSA-N 0 0 323.383 3.534 10 0 DHAERN CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2cccc(Cl)c2)C1 ZINC000228915652 340528154 /nfs/dbraw/zinc/52/81/54/340528154.db2.gz SQFGCRGOKQEVRZ-CYBMUJFWSA-N 0 0 323.820 3.709 10 0 DHAERN O=C(Nc1ccc(OC2COC2)cc1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000189612798 340538507 /nfs/dbraw/zinc/53/85/07/340538507.db2.gz BWLRZVCLFGDJFE-ZWKOTPCHSA-N 0 0 315.413 3.619 10 0 DHAERN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCO[C@H]1C)CC2 ZINC000190538804 340545781 /nfs/dbraw/zinc/54/57/81/340545781.db2.gz AWIIAHCBXUZKBH-QANKJYHBSA-N 0 0 301.430 3.729 10 0 DHAERN Cc1cc(NC(=O)[C@H]2CCCO[C@H]2C)ccc1C(F)(F)F ZINC000190794725 340547090 /nfs/dbraw/zinc/54/70/90/340547090.db2.gz CHGDXKKNUPZNPR-JQWIXIFHSA-N 0 0 301.308 3.767 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1 ZINC000191382520 340553794 /nfs/dbraw/zinc/55/37/94/340553794.db2.gz BMGBEGLCDAENCV-QAPCUYQASA-N 0 0 309.409 3.707 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(c1ccc(F)cc1)C1CCCC1 ZINC000191923315 340560264 /nfs/dbraw/zinc/56/02/64/340560264.db2.gz VMRGUKKVVDCBGC-SUMWQHHRSA-N 0 0 305.393 3.916 10 0 DHAERN CCc1nnc(CSc2cc(Cl)ccc2Cl)n1C ZINC000194669547 340594635 /nfs/dbraw/zinc/59/46/35/340594635.db2.gz AFWAXLCJDGMDIW-UHFFFAOYSA-N 0 0 302.230 3.977 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1cnc(-c2ccccc2)s1 ZINC000194861378 340596643 /nfs/dbraw/zinc/59/66/43/340596643.db2.gz AOTIRXHDMNEQAF-AWEZNQCLSA-N 0 0 322.389 3.674 10 0 DHAERN CCSCc1ccc(C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000194860953 340596644 /nfs/dbraw/zinc/59/66/44/340596644.db2.gz QFLJEMGJJRIOAB-INIZCTEOSA-N 0 0 313.422 3.803 10 0 DHAERN C[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(Br)cc1 ZINC000230042872 340617696 /nfs/dbraw/zinc/61/76/96/340617696.db2.gz ZYQOGJMTVGUBJY-SMDDNHRTSA-N 0 0 310.235 3.844 10 0 DHAERN CCC[C@H]1C[C@H]1NC(=O)c1ccc(Br)c(F)c1 ZINC000231692468 340625268 /nfs/dbraw/zinc/62/52/68/340625268.db2.gz MPSXYRAURPRARK-QPUJVOFHSA-N 0 0 300.171 3.507 10 0 DHAERN CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000072686930 340711069 /nfs/dbraw/zinc/71/10/69/340711069.db2.gz HMGOCNUWMQICQV-OAHLLOKOSA-N 0 0 324.424 3.682 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H]2OCCc3ccccc32)cc1F ZINC000124283069 340798062 /nfs/dbraw/zinc/79/80/62/340798062.db2.gz GWAOTYCNHWFYKX-SCLBCKFNSA-N 0 0 313.372 3.625 10 0 DHAERN C[C@H](NC(=O)Nc1ccnn1C)c1ccc(-c2ccccc2)cc1 ZINC000124651603 340800262 /nfs/dbraw/zinc/80/02/62/340800262.db2.gz AWSBIXCYKSXHFX-AWEZNQCLSA-N 0 0 320.396 3.970 10 0 DHAERN CS[C@H](C)CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000128986485 340934595 /nfs/dbraw/zinc/93/45/95/340934595.db2.gz GXEHNUMAFHGQRR-RKDXNWHRSA-N 0 0 322.257 3.628 10 0 DHAERN CCNc1ncc(C(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000129835856 340986986 /nfs/dbraw/zinc/98/69/86/340986986.db2.gz JMZASOKUHQJCAF-JTQLQIEISA-N 0 0 307.394 3.513 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)Cc1cc(F)c(F)cc1F ZINC000130428921 341021443 /nfs/dbraw/zinc/02/14/43/341021443.db2.gz MRUBMLMYVLJFDJ-LLVKDONJSA-N 0 0 307.315 3.832 10 0 DHAERN CCc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](C)O1 ZINC000130658974 341037539 /nfs/dbraw/zinc/03/75/39/341037539.db2.gz VETBSRVRBKMDQA-TVQRCGJNSA-N 0 0 312.207 3.518 10 0 DHAERN C[C@@H](NC(=O)N1CCOC2(CCC2)C1)c1ccc2ccccc2c1 ZINC000130984687 341055677 /nfs/dbraw/zinc/05/56/77/341055677.db2.gz LWQZQWZMHMCVTK-OAHLLOKOSA-N 0 0 324.424 3.865 10 0 DHAERN COc1ccc(SCC(=O)N[C@H](C)c2ccc(C)o2)cc1 ZINC000072700431 341099699 /nfs/dbraw/zinc/09/96/99/341099699.db2.gz GABARTMDBPOQMH-GFCCVEGCSA-N 0 0 305.399 3.566 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)[C@@H](C)CCOc2ccccc2)o1 ZINC000073017199 341112199 /nfs/dbraw/zinc/11/21/99/341112199.db2.gz OAELJBBWGKVMHJ-DZGCQCFKSA-N 0 0 301.386 3.870 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000133677612 341181348 /nfs/dbraw/zinc/18/13/48/341181348.db2.gz DHJQKWBLNURAAP-QWHCGFSZSA-N 0 0 310.825 3.547 10 0 DHAERN CCC1CCC(NC(=O)Cc2c[nH]c3ccc(OC)cc23)CC1 ZINC000075906862 341188896 /nfs/dbraw/zinc/18/88/96/341188896.db2.gz HWJFFWPIICNBDH-UHFFFAOYSA-N 0 0 314.429 3.804 10 0 DHAERN CC(C)NC(=O)CCN[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000133841740 341193259 /nfs/dbraw/zinc/19/32/59/341193259.db2.gz LBANXYDHJHNLHT-VIFPVBQESA-N 0 0 321.223 3.698 10 0 DHAERN C[C@H](NC(=O)NC[C@H]1CC=CCC1)c1cccc(-n2ccnc2)c1 ZINC000076470980 341207885 /nfs/dbraw/zinc/20/78/85/341207885.db2.gz SQBKVFWNABYNQN-HOTGVXAUSA-N 0 0 324.428 3.589 10 0 DHAERN C[C@H](NC(=O)N1CCS[C@H](C)C1)c1ccc(F)cc1Cl ZINC000077669969 341228526 /nfs/dbraw/zinc/22/85/26/341228526.db2.gz TYULCNUQMKHRMK-ZJUUUORDSA-N 0 0 316.829 3.687 10 0 DHAERN CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000078291589 341239773 /nfs/dbraw/zinc/23/97/73/341239773.db2.gz KYUVUGGPEFPJJL-SRVKXCTJSA-N 0 0 306.372 3.985 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000078291569 341239819 /nfs/dbraw/zinc/23/98/19/341239819.db2.gz RARGVWTXSPJXIR-YIYPIFLZSA-N 0 0 318.383 3.939 10 0 DHAERN O=C(CCCC1CCCCC1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000135714277 341244677 /nfs/dbraw/zinc/24/46/77/341244677.db2.gz UJVNAQSETLRNGA-GOSISDBHSA-N 0 0 316.445 3.812 10 0 DHAERN O=C(CCCC1CCCCC1)N1CC[C@H](Oc2cccnc2)C1 ZINC000135714308 341244748 /nfs/dbraw/zinc/24/47/48/341244748.db2.gz UJVNAQSETLRNGA-SFHVURJKSA-N 0 0 316.445 3.812 10 0 DHAERN CCN(CC)C(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000079157778 341254619 /nfs/dbraw/zinc/25/46/19/341254619.db2.gz VIOQUIUASVJUSK-SNVBAGLBSA-N 0 0 304.312 3.698 10 0 DHAERN C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)C[C@H](C)c1cccc(F)c1 ZINC000081451181 341291260 /nfs/dbraw/zinc/29/12/60/341291260.db2.gz PJKCXDSWZRUBBV-QWHCGFSZSA-N 0 0 323.408 3.508 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)[C@@](C)(O)[C@H](C)c1ccccc1 ZINC000245417168 341292378 /nfs/dbraw/zinc/29/23/78/341292378.db2.gz JOKASQOWWJZFRD-GUXCAODWSA-N 0 0 311.425 3.727 10 0 DHAERN C[C@@H]1CCN(C[C@@H](O)COC(C)(C)C)c2ccccc2S1 ZINC000245941687 341319131 /nfs/dbraw/zinc/31/91/31/341319131.db2.gz MRZXNCPVBAJKOP-ZIAGYGMSSA-N 0 0 309.475 3.553 10 0 DHAERN Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000245955284 341319658 /nfs/dbraw/zinc/31/96/58/341319658.db2.gz WLLLWZMZCPZHJS-WXHSDQCUSA-N 0 0 310.463 3.662 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)NC[C@H](Cc2ccccc2)c2ccccc2)O1 ZINC000246003932 341321756 /nfs/dbraw/zinc/32/17/56/341321756.db2.gz KCCZCUPCVYUAOR-LSTHTHJFSA-N 0 0 323.436 3.697 10 0 DHAERN C[C@@H](CNC(=O)[C@@H]1CC[C@@H](C)O1)c1c(Cl)cccc1Cl ZINC000246084937 341324411 /nfs/dbraw/zinc/32/44/11/341324411.db2.gz UJBKOCANUBYPAN-CWSCBRNRSA-N 0 0 316.228 3.781 10 0 DHAERN C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N[C@H]1C[C@H]1C ZINC000246110319 341326895 /nfs/dbraw/zinc/32/68/95/341326895.db2.gz BXWYQWKFLPVVLU-NRUUGDAUSA-N 0 0 320.845 3.893 10 0 DHAERN CC[C@H](C)[C@@H](C)NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246115836 341327271 /nfs/dbraw/zinc/32/72/71/341327271.db2.gz ICHLYGFOLGTDLM-IACUBPJLSA-N 0 0 309.479 3.775 10 0 DHAERN CC[C@H](C)[C@H](C)NC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000246115828 341327331 /nfs/dbraw/zinc/32/73/31/341327331.db2.gz ICHLYGFOLGTDLM-FPMFFAJLSA-N 0 0 309.479 3.775 10 0 DHAERN CC(C)[C@H](O)CC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000246282509 341339929 /nfs/dbraw/zinc/33/99/29/341339929.db2.gz NRBWHGFIHZEMBP-ZYIUAKIQSA-N 0 0 309.837 3.560 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000246418993 341348265 /nfs/dbraw/zinc/34/82/65/341348265.db2.gz AKTRQONXVCOXOF-AXUOBQJMSA-N 0 0 315.457 3.581 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC[C@H](CO)CC2)cc1 ZINC000246419033 341348315 /nfs/dbraw/zinc/34/83/15/341348315.db2.gz AKTRQONXVCOXOF-UDTPNQRGSA-N 0 0 315.457 3.581 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCO[C@H](c2ccsc2)C1 ZINC000246618608 341354636 /nfs/dbraw/zinc/35/46/36/341354636.db2.gz NNXNXNKGACGRRQ-BBWFWOEESA-N 0 0 319.470 3.864 10 0 DHAERN O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCO[C@@H](c2ccsc2)C1 ZINC000246618616 341354679 /nfs/dbraw/zinc/35/46/79/341354679.db2.gz NNXNXNKGACGRRQ-GVDBMIGSSA-N 0 0 319.470 3.864 10 0 DHAERN CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000246625074 341354683 /nfs/dbraw/zinc/35/46/83/341354683.db2.gz QWQZMCHRRDOVBD-VKJFTORMSA-N 0 0 316.445 3.836 10 0 DHAERN COC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000246900855 341358435 /nfs/dbraw/zinc/35/84/35/341358435.db2.gz HDBJJZILFMBHCU-ATZDWAIDSA-N 0 0 315.457 3.799 10 0 DHAERN C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)C[C@@H](C)C1 ZINC000246980968 341359452 /nfs/dbraw/zinc/35/94/52/341359452.db2.gz QXYMAISAODKWLP-XQHKEYJVSA-N 0 0 306.372 3.795 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)N[C@H](C)c2cccs2)C1(C)C ZINC000247022942 341360052 /nfs/dbraw/zinc/36/00/52/341360052.db2.gz SCPBHOXXAUWLLC-KWCYVHTRSA-N 0 0 310.463 3.654 10 0 DHAERN C[C@H](NC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccc(F)c(F)c1 ZINC000247468395 341365400 /nfs/dbraw/zinc/36/54/00/341365400.db2.gz RUTGQKUGLIIFJB-HWWQOWPSSA-N 0 0 308.372 4.000 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@H]2CCCO2)c1C ZINC000247467843 341365443 /nfs/dbraw/zinc/36/54/43/341365443.db2.gz RPUBFUBPOCCDPH-RYQLBKOJSA-N 0 0 316.445 3.717 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C)c2cccs2)C12CCC2 ZINC000248057304 341372737 /nfs/dbraw/zinc/37/27/37/341372737.db2.gz XOFGMIKQGWZTBV-BPLDGKMQSA-N 0 0 322.474 3.798 10 0 DHAERN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000248071345 341373080 /nfs/dbraw/zinc/37/30/80/341373080.db2.gz QJDNGBGKBRENEP-GPCCPHFNSA-N 0 0 316.228 3.608 10 0 DHAERN CCO[C@@H]1C[C@H](Nc2cccc([C@H](C)OC)c2)C12CCOCC2 ZINC000248991901 341391477 /nfs/dbraw/zinc/39/14/77/341391477.db2.gz LDZTVYCIXSYQAA-JCGIZDLHSA-N 0 0 319.445 3.780 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2C)CC[C@@H]1c1ccccc1 ZINC000249635262 341399982 /nfs/dbraw/zinc/39/99/82/341399982.db2.gz RRYGDNUPXDFNDV-ISARSNTHSA-N 0 0 315.457 3.844 10 0 DHAERN CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCO[C@H]1C ZINC000251219615 341414080 /nfs/dbraw/zinc/41/40/80/341414080.db2.gz XJTCWFCTLHSTGZ-NQYYFHDYSA-N 0 0 315.457 3.986 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(COc3ccccc3)cc2)O1 ZINC000091064813 341421867 /nfs/dbraw/zinc/42/18/67/341421867.db2.gz CCOMENZWBOMTKR-KSSFIOAISA-N 0 0 311.381 3.772 10 0 DHAERN CCCOc1ccc(NC(=O)C[C@@H](O)C(C)C)cc1OCCC ZINC000154130379 341585253 /nfs/dbraw/zinc/58/52/53/341585253.db2.gz UBWOAXYMOCWUCG-OAHLLOKOSA-N 0 0 323.433 3.610 10 0 DHAERN CCc1cnccc1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000155032054 341600476 /nfs/dbraw/zinc/60/04/76/341600476.db2.gz WTEIOMNLKNSQAJ-SNVBAGLBSA-N 0 0 306.768 3.928 10 0 DHAERN CCc1cc(N[C@@H](C)c2ccc(OC)c(OC)c2)nc(C)n1 ZINC000272845154 341630827 /nfs/dbraw/zinc/63/08/27/341630827.db2.gz JKJVWTHUSUNDDR-NSHDSACASA-N 0 0 301.390 3.538 10 0 DHAERN COCC[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000171208108 341773923 /nfs/dbraw/zinc/77/39/23/341773923.db2.gz IVOMSUNEXAFUIQ-VHSXEESVSA-N 0 0 319.232 3.779 10 0 DHAERN C[C@H]1CN(C(=O)C(c2ccccc2)c2ccccc2)CCS1 ZINC000171579890 341780771 /nfs/dbraw/zinc/78/07/71/341780771.db2.gz VCKFKXWSVLHSBP-HNNXBMFYSA-N 0 0 311.450 3.782 10 0 DHAERN Cc1nc(-c2ccccc2)sc1C(=O)N1CCS[C@@H](C)C1 ZINC000171577300 341780830 /nfs/dbraw/zinc/78/08/30/341780830.db2.gz BTLCVGSQXOKWJX-NSHDSACASA-N 0 0 318.467 3.696 10 0 DHAERN C[C@H]1CN(C(=O)c2sccc2-c2ccccc2)CCS1 ZINC000171577294 341780870 /nfs/dbraw/zinc/78/08/70/341780870.db2.gz UWABUHHEYMPGAO-LBPRGKRZSA-N 0 0 303.452 3.993 10 0 DHAERN O=C(Cc1noc2ccccc12)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153288987 518199117 /nfs/dbraw/zinc/19/91/17/518199117.db2.gz MJWBIZRTMYDKOH-MRXNPFEDSA-N 0 0 324.355 3.703 10 0 DHAERN Brc1cnc(-c2ccccc2)nc1N1CCCCC1 ZINC000090550581 518228906 /nfs/dbraw/zinc/22/89/06/518228906.db2.gz JQYABBMUTPFEQO-UHFFFAOYSA-N 0 0 318.218 3.896 10 0 DHAERN CC(C)(C(=O)N[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000170860274 518530250 /nfs/dbraw/zinc/53/02/50/518530250.db2.gz HALYPZRTYOFUBI-MRXNPFEDSA-N 0 0 313.372 3.743 10 0 DHAERN CC(C)(C)n1cc(CNc2nc3ccc(Cl)cc3s2)nn1 ZINC000191518399 519163630 /nfs/dbraw/zinc/16/36/30/519163630.db2.gz NRKOIAJUAZDDDS-UHFFFAOYSA-N 0 0 321.837 3.908 10 0 DHAERN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N[C@H](C)C(C)C)c1 ZINC000129793552 519522974 /nfs/dbraw/zinc/52/29/74/519522974.db2.gz OMZPFWWPBAUXDR-LLVKDONJSA-N 0 0 310.825 3.709 10 0 DHAERN CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000186197410 519829900 /nfs/dbraw/zinc/82/99/00/519829900.db2.gz OYWSAQWQFBMUEH-XSYGEPLQSA-N 0 0 315.457 3.783 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCCO[C@@H](C)C2)cc1 ZINC000171292575 519839161 /nfs/dbraw/zinc/83/91/61/519839161.db2.gz FIYCWMMULNCZLI-LSDHHAIUSA-N 0 0 304.434 3.691 10 0 DHAERN CCC1CCC(NC(=O)Nc2ccccc2C[S@@](C)=O)CC1 ZINC000184264405 519855592 /nfs/dbraw/zinc/85/55/92/519855592.db2.gz IDNLJJCPISZMJD-KTOLVFLJSA-N 0 0 322.474 3.655 10 0 DHAERN CCC1CCC(NC(=O)c2cccc(NC(C)=O)c2C)CC1 ZINC000188270190 519856341 /nfs/dbraw/zinc/85/63/41/519856341.db2.gz ORLJEAQEPFYWPY-UHFFFAOYSA-N 0 0 302.418 3.652 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccc([C@H]3C[C@@H]3C)o1)C2 ZINC000123323120 519869169 /nfs/dbraw/zinc/86/91/69/519869169.db2.gz VIHKMDSVDRPTFA-ZFWWWQNUSA-N 0 0 313.445 3.818 10 0 DHAERN CCO[C@@H]1C[C@@H](Nc2ccc(CSC)cc2)C12CCOCC2 ZINC000186485471 520376747 /nfs/dbraw/zinc/37/67/47/520376747.db2.gz SKHNWHSLYMWDJL-IAGOWNOFSA-N 0 0 321.486 3.936 10 0 DHAERN CCC(=O)Nc1sc(Br)nc1-c1cccs1 ZINC000032500041 521232558 /nfs/dbraw/zinc/23/25/58/521232558.db2.gz JHIKHHPAHINBRD-UHFFFAOYSA-N 0 0 317.233 3.983 10 0 DHAERN CCCc1nc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000181721837 521514273 /nfs/dbraw/zinc/51/42/73/521514273.db2.gz BBWDKJHSTFACJY-LBPRGKRZSA-N 0 0 318.442 3.718 10 0 DHAERN CCCn1cc(C(=O)N2CCCC[C@H]2c2ccc(C)o2)cn1 ZINC000181074750 521644270 /nfs/dbraw/zinc/64/42/70/521644270.db2.gz DAJDJGSWZADGFR-HNNXBMFYSA-N 0 0 301.390 3.562 10 0 DHAERN CCc1cnc([C@H](C)Nc2nnc(C(F)(F)F)s2)s1 ZINC000155383470 522058279 /nfs/dbraw/zinc/05/82/79/522058279.db2.gz FWXWDXYMUJHNKF-YFKPBYRVSA-N 0 0 308.354 3.749 10 0 DHAERN CCc1csc([C@H]2CCCN(c3ccc(C(C)=O)cn3)C2)n1 ZINC000180227460 522116202 /nfs/dbraw/zinc/11/62/02/522116202.db2.gz IPCJDIXELNUMDU-AWEZNQCLSA-N 0 0 315.442 3.687 10 0 DHAERN COC[C@@H](C)C(=O)N1CCc2sccc2[C@H]1c1cccs1 ZINC000103362741 522171151 /nfs/dbraw/zinc/17/11/51/522171151.db2.gz APIBYJQCEHSPIR-ABAIWWIYSA-N 0 0 321.467 3.566 10 0 DHAERN CC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1)c1ccncc1 ZINC000158540852 522515943 /nfs/dbraw/zinc/51/59/43/522515943.db2.gz UHMAPRLFBJMWIP-KEYYUXOJSA-N 0 0 316.351 3.731 10 0 DHAERN COc1cc(Cl)c(Cl)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000190760176 522522973 /nfs/dbraw/zinc/52/29/73/522522973.db2.gz SLRHLTCWMVFKHA-IUCAKERBSA-N 0 0 318.200 3.756 10 0 DHAERN COCC1CCN(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000171924278 522929439 /nfs/dbraw/zinc/92/94/39/522929439.db2.gz VMNMIRNWBFMECX-HNNXBMFYSA-N 0 0 318.461 3.939 10 0 DHAERN COCCCC(=O)NC[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000156636739 523079955 /nfs/dbraw/zinc/07/99/55/523079955.db2.gz UUEREJCYHOOSTA-ZWNOBZJWSA-N 0 0 316.228 3.640 10 0 DHAERN CCn1c(CN[C@H](C)c2ccc(C)o2)nc2c1cccc2F ZINC000182571584 523196325 /nfs/dbraw/zinc/19/63/25/523196325.db2.gz POFOPXYZLQRHQT-GFCCVEGCSA-N 0 0 301.365 3.948 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cn1 ZINC000124095879 523353264 /nfs/dbraw/zinc/35/32/64/523353264.db2.gz FPDFVFFDNDIXDD-UHFFFAOYSA-N 0 0 317.820 3.576 10 0 DHAERN CO[C@@H](C)c1noc(CN[C@H](C)c2ccc3ccccc3c2)n1 ZINC000181489219 523486883 /nfs/dbraw/zinc/48/68/83/523486883.db2.gz UOUTYMXYXDMRLC-OLZOCXBDSA-N 0 0 311.385 3.781 10 0 DHAERN COCCC[C@H](C)C(=O)Oc1ccc(F)cc1Br ZINC000182197613 523487358 /nfs/dbraw/zinc/48/73/58/523487358.db2.gz QJBRVDJBAGMZHD-VIFPVBQESA-N 0 0 319.170 3.556 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)Cc2cccc(O)c2)o1 ZINC000175661805 524053348 /nfs/dbraw/zinc/05/33/48/524053348.db2.gz ZZJZWTZUZBMCIX-QGZVFWFLSA-N 0 0 313.397 3.844 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)CCc2ccccn2)o1 ZINC000128499303 524053391 /nfs/dbraw/zinc/05/33/91/524053391.db2.gz ZSFOQEMDBUNHSW-QGZVFWFLSA-N 0 0 312.413 3.923 10 0 DHAERN Cc1cc(C)c(CC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(C)c1 ZINC000180166992 524254305 /nfs/dbraw/zinc/25/43/05/524254305.db2.gz AZUJRRBAMNZRNJ-SFHVURJKSA-N 0 0 311.429 3.631 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2cc(F)ccc2SCC(F)F)O1 ZINC000155693431 524336632 /nfs/dbraw/zinc/33/66/32/524336632.db2.gz TXBXVZMLZWGMIC-KWQFWETISA-N 0 0 319.348 3.689 10 0 DHAERN C[C@H]1CC[C@@H](NC(=O)Nc2cccc(C(N)=O)c2)c2ccccc21 ZINC000156054480 524367585 /nfs/dbraw/zinc/36/75/85/524367585.db2.gz PAVPEGSCFWBDDO-YVEFUNNKSA-N 0 0 323.396 3.546 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cccc(Br)c2Cl)O1 ZINC000338514928 524385583 /nfs/dbraw/zinc/38/55/83/524385583.db2.gz QUJKJOCJNZAASZ-OIBJUYFYSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@H]1CN(C(=O)c2ccc(-c3ccccc3F)o2)CCS1 ZINC000171579125 524528596 /nfs/dbraw/zinc/52/85/96/524528596.db2.gz WBCITRCYEQNLMJ-NSHDSACASA-N 0 0 305.374 3.663 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)Nc2ccc(Br)cc2Cl)O1 ZINC000153303006 524560931 /nfs/dbraw/zinc/56/09/31/524560931.db2.gz IDKPXEGMXBTESG-HQJQHLMTSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)O1 ZINC000157618955 524632987 /nfs/dbraw/zinc/63/29/87/524632987.db2.gz KZEHKYZPLUEZJG-CDHQVMDDSA-N 0 0 321.420 3.880 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)[C@H](C)c1cccs1 ZINC000172962032 524817423 /nfs/dbraw/zinc/81/74/23/524817423.db2.gz BBMNPDVYNHFNMN-UONOGXRCSA-N 0 0 303.427 3.573 10 0 DHAERN C[C@H]1C[C@H](C(=O)N(C)Cc2nccn2C(F)F)CC(C)(C)C1 ZINC000183128603 524865656 /nfs/dbraw/zinc/86/56/56/524865656.db2.gz WGXIGCUBHFXGND-RYUDHWBXSA-N 0 0 313.392 3.699 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000190097305 525013902 /nfs/dbraw/zinc/01/39/02/525013902.db2.gz HCIIBUIZZJUOMT-SCZZXKLOSA-N 0 0 319.735 3.695 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 ZINC000191488766 525014087 /nfs/dbraw/zinc/01/40/87/525014087.db2.gz ZJIODRSWBOSEEH-ZJUUUORDSA-N 0 0 308.428 3.625 10 0 DHAERN C[C@H](NC(=O)NCCc1ccc(F)c(F)c1)c1cccs1 ZINC000188481368 525067958 /nfs/dbraw/zinc/06/79/58/525067958.db2.gz OGCWBTAKUZQLOT-JTQLQIEISA-N 0 0 310.369 3.629 10 0 DHAERN C[C@@H](NC(=O)Nc1ccc2c(c1)N(C)CC2)c1cccs1 ZINC000180285527 525244211 /nfs/dbraw/zinc/24/42/11/525244211.db2.gz ONHZXFNYQBTSPJ-LLVKDONJSA-N 0 0 301.415 3.623 10 0 DHAERN COc1ccc([C@H](C)C(=O)N2CCC(C(F)(F)F)CC2)cc1 ZINC000173457016 525286723 /nfs/dbraw/zinc/28/67/23/525286723.db2.gz RUJQVIKCLJMYBJ-NSHDSACASA-N 0 0 315.335 3.600 10 0 DHAERN C[C@H](NCc1cn(C(C)(C)C)nn1)c1ccc(F)c(Cl)c1 ZINC000190863273 525473728 /nfs/dbraw/zinc/47/37/28/525473728.db2.gz FJWJZOUZRTXJAT-JTQLQIEISA-N 0 0 310.804 3.676 10 0 DHAERN Cc1c(Br)cccc1NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000191049649 525530055 /nfs/dbraw/zinc/53/00/55/525530055.db2.gz TXGGKGLITGVMEF-GHMZBOCLSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccccc1CC(F)(F)F ZINC000188200519 525557768 /nfs/dbraw/zinc/55/77/68/525557768.db2.gz DXBLRRBUKOIAGN-JQWIXIFHSA-N 0 0 301.308 3.545 10 0 DHAERN COc1cccc(C(=O)N2CCCC[C@@H]2c2ccc(C)o2)c1O ZINC000127535465 525796699 /nfs/dbraw/zinc/79/66/99/525796699.db2.gz YFWPLTRPYORBEB-CQSZACIVSA-N 0 0 315.369 3.670 10 0 DHAERN Cc1ccc([C@H]2CCCCN2C(=O)COc2ccccc2F)o1 ZINC000127624200 525992264 /nfs/dbraw/zinc/99/22/64/525992264.db2.gz LYJUKPBIZILKRD-OAHLLOKOSA-N 0 0 317.360 3.860 10 0 DHAERN CSc1ccc(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000157303834 526031465 /nfs/dbraw/zinc/03/14/65/526031465.db2.gz WKSSDNIBBOLRRV-CXAGYDPISA-N 0 0 320.458 3.567 10 0 DHAERN C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000227817090 526035787 /nfs/dbraw/zinc/03/57/87/526035787.db2.gz YXQZZTNDBVYIMT-KBVBSXBZSA-N 0 0 302.201 3.707 10 0 DHAERN Cc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000188924601 526233388 /nfs/dbraw/zinc/23/33/88/526233388.db2.gz KHJRJBULGLKSBO-RBUKOAKNSA-N 0 0 308.425 3.933 10 0 DHAERN Cc1cc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccco2)sc1C ZINC000154222847 526251452 /nfs/dbraw/zinc/25/14/52/526251452.db2.gz BXXPDUMLPQRYGP-UONOGXRCSA-N 0 0 319.426 3.686 10 0 DHAERN Fc1ccccc1C1(CNc2nnc(C(F)(F)F)s2)CC1 ZINC000154749567 526409090 /nfs/dbraw/zinc/40/90/90/526409090.db2.gz GTFRJBPISNZYSA-UHFFFAOYSA-N 0 0 317.311 3.840 10 0 DHAERN O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000156592245 526560739 /nfs/dbraw/zinc/56/07/39/526560739.db2.gz MESMTJLXARQCTM-SMDDNHRTSA-N 0 0 321.207 3.922 10 0 DHAERN O=C(NCc1nc(C2CC2)cs1)N1CCC[C@H]1c1ccco1 ZINC000156874373 526818913 /nfs/dbraw/zinc/81/89/13/526818913.db2.gz IRBDPMYWXURMCZ-ZDUSSCGKSA-N 0 0 317.414 3.660 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000127340184 526880659 /nfs/dbraw/zinc/88/06/59/526880659.db2.gz MFPOKICVQKFIPQ-WBVHZDCISA-N 0 0 315.413 3.508 10 0 DHAERN Cc1nc(Cl)ccc1C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000124555395 526937718 /nfs/dbraw/zinc/93/77/18/526937718.db2.gz XLTYKUZNNVCYQZ-GFCCVEGCSA-N 0 0 321.833 3.867 10 0 DHAERN O=C(Nc1c[nH]nc1-c1ccccn1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000156591918 527097421 /nfs/dbraw/zinc/09/74/21/527097421.db2.gz WSHZCZCFCZAEJP-UONOGXRCSA-N 0 0 310.401 3.627 10 0 DHAERN Cc1nc2ccccc2n1C(F)(F)C(F)(F)Br ZINC000057354515 527162636 /nfs/dbraw/zinc/16/26/36/527162636.db2.gz AQAHGGCVTTWPBX-UHFFFAOYSA-N 0 0 311.076 3.882 10 0 DHAERN Cn1cc([C@@H]2CCN(c3ccnc4ccc(Cl)cc43)C2)cn1 ZINC000172016484 527300660 /nfs/dbraw/zinc/30/06/60/527300660.db2.gz KBJIRRYRWWNHNR-GFCCVEGCSA-N 0 0 312.804 3.616 10 0 DHAERN O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000156493556 527489017 /nfs/dbraw/zinc/48/90/17/527489017.db2.gz MHPOGZOBSLUASZ-QWHCGFSZSA-N 0 0 315.339 3.600 10 0 DHAERN Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000124890951 527666091 /nfs/dbraw/zinc/66/60/91/527666091.db2.gz NMKPJZGZDOMQFQ-IINYFYTJSA-N 0 0 317.820 3.750 10 0 DHAERN FC(F)(F)CNCc1ccc(Br)c2cccnc12 ZINC000160302849 527668794 /nfs/dbraw/zinc/66/87/94/527668794.db2.gz BXYMAYQMOARLGG-UHFFFAOYSA-N 0 0 319.124 3.649 10 0 DHAERN CCc1cc(Nc2ccc(Cl)c(C[S@@](C)=O)c2)nc(C)n1 ZINC000272834659 536152974 /nfs/dbraw/zinc/15/29/74/536152974.db2.gz HJWDWRLMAHENEK-OAQYLSRUSA-N 0 0 323.849 3.623 10 0 DHAERN COc1ccc(C)cc1NC(=O)N1CCSc2ncccc21 ZINC000020938763 563417747 /nfs/dbraw/zinc/41/77/47/563417747.db2.gz DXQSESTZFFYEKD-UHFFFAOYSA-N 0 0 315.398 3.543 10 0 DHAERN Nc1ccc(SCc2nnc(-c3cccc(F)c3)o2)cc1 ZINC000021356771 563418491 /nfs/dbraw/zinc/41/84/91/563418491.db2.gz KMQYLVYBJPJLII-UHFFFAOYSA-N 0 0 301.346 3.750 10 0 DHAERN Cc1c(Cl)c2ccc(Br)c(C)c2n(C)c1=O ZINC000725260914 563567125 /nfs/dbraw/zinc/56/71/25/563567125.db2.gz ZGRWRSMIDRVQSG-UHFFFAOYSA-N 0 0 300.583 3.571 10 0 DHAERN NNc1cc2ccc(Br)cc2nc1C1CCCC1 ZINC000725268001 563573879 /nfs/dbraw/zinc/57/38/79/563573879.db2.gz FBOMOIVJNYCJSS-UHFFFAOYSA-N 0 0 306.207 3.941 10 0 DHAERN Oc1cc2c(Br)cccc2nc1C1CCOCC1 ZINC000725267782 563574033 /nfs/dbraw/zinc/57/40/33/563574033.db2.gz XYEKWIVBOPGUKT-UHFFFAOYSA-N 0 0 308.175 3.597 10 0 DHAERN Cc1cc(Cl)cc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)CC[NH2+]2)c1 ZINC000675055506 563909933 /nfs/dbraw/zinc/90/99/33/563909933.db2.gz UKPLOQXYLGRZMO-LSDHHAIUSA-N 0 0 324.852 3.966 10 0 DHAERN CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(F)cc1 ZINC000226261110 563913194 /nfs/dbraw/zinc/91/31/94/563913194.db2.gz QMKXRBMSPQKEFN-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2ccc(F)cc2)cc1N ZINC000226266843 563913592 /nfs/dbraw/zinc/91/35/92/563913592.db2.gz PXKZNQLODZFLPD-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN CSC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)[O-])c2Cl)C1 ZINC000381586475 971765622 /nfs/dbraw/zinc/76/56/22/971765622.db2.gz CRXKQYFIWPXKCF-LLVKDONJSA-N 0 0 313.850 3.613 10 0 DHAERN CC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1Br ZINC000226720605 959897293 /nfs/dbraw/zinc/89/72/93/959897293.db2.gz ZGHUQWITJFTHRK-GFCCVEGCSA-N 0 0 312.207 3.522 10 0 DHAERN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)C(C)(C)C ZINC000235218182 960398665 /nfs/dbraw/zinc/39/86/65/960398665.db2.gz OKJYNRJTGSBGJR-SECBINFHSA-N 0 0 314.223 3.672 10 0 DHAERN C[C@H](c1ccccc1Br)[N@H+](C)CCCCC(=O)[O-] ZINC000719356495 977999509 /nfs/dbraw/zinc/99/95/09/977999509.db2.gz RUWRERFDZPCVRP-LLVKDONJSA-N 0 0 314.223 3.697 10 0 DHAERN Cc1cccc(N2CCC(NC(=O)C(C)(C)CC(C)C)CC2)n1 ZINC000084547183 1032207191 /nfs/dbraw/zinc/20/71/91/1032207191.db2.gz MVTDFSAMIPXKFY-UHFFFAOYSA-N 0 0 317.477 3.547 10 0 DHAERN Cc1ccc([C@H]2CN(Cc3cnc(C(C)(C)C)s3)CCO2)o1 ZINC000093864994 1032562124 /nfs/dbraw/zinc/56/21/24/1032562124.db2.gz LBTPMRIYZXMLGS-OAHLLOKOSA-N 0 0 320.458 3.916 10 0 DHAERN O=C(Nc1ccc(Br)cc1F)[C@H]1C[C@@H]1c1ccco1 ZINC000049374115 1025707805 /nfs/dbraw/zinc/70/78/05/1025707805.db2.gz XXIIRZHVCAWIKO-UWVGGRQHSA-N 0 0 324.149 3.923 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)Cc1ccccc1 ZINC000062093928 1025937656 /nfs/dbraw/zinc/93/76/56/1025937656.db2.gz SYINNQONHOERRJ-UHFFFAOYSA-N 0 0 320.392 3.551 10 0 DHAERN O=C(CNc1cc(F)ccc1F)N1CCC[C@@H]1c1cccs1 ZINC000052874476 1026420690 /nfs/dbraw/zinc/42/06/90/1026420690.db2.gz VJMJNMZLESJRGQ-CQSZACIVSA-N 0 0 322.380 3.802 10 0 DHAERN C[C@@H](OC(=O)[C@@H]1CC(=O)Nc2ccccc21)c1cccc(F)c1 ZINC000066886742 1030519325 /nfs/dbraw/zinc/51/93/25/1030519325.db2.gz DKHQKBNXFPIJRT-IAQYHMDHSA-N 0 0 313.328 3.556 10 0 DHAERN Cc1ccc(C(=O)N2CCC[C@H](c3nccs3)C2)cc1C ZINC000067048891 1030522358 /nfs/dbraw/zinc/52/23/58/1030522358.db2.gz PPKPTQRYKFFLLS-HNNXBMFYSA-N 0 0 300.427 3.780 10 0 DHAERN O=C(COc1ccc(Cl)cc1)N1CCC[C@@H]1c1nccs1 ZINC000074909258 1030628184 /nfs/dbraw/zinc/62/81/84/1030628184.db2.gz MVMFYKAKKRRHMM-CYBMUJFWSA-N 0 0 322.817 3.539 10 0 DHAERN O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccn1 ZINC000053280899 1030862763 /nfs/dbraw/zinc/86/27/63/1030862763.db2.gz FKQHCZPSYCNISO-UHFFFAOYSA-N 0 0 313.357 3.525 10 0 DHAERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)/C=C/c3cccnc3)C2)cc1 ZINC000078187541 1030920532 /nfs/dbraw/zinc/92/05/32/1030920532.db2.gz OTEURLWPPVBLEN-DUVNANRZSA-N 0 0 322.408 3.508 10 0 DHAERN C[C@H]1CCCCN1C(=O)CCc1ncc(-c2ccc(F)cc2)o1 ZINC000055551889 1037440686 /nfs/dbraw/zinc/44/06/86/1037440686.db2.gz UCDSLCZKSRZMNZ-ZDUSSCGKSA-N 0 0 316.376 3.814 10 0 DHAERN Cc1c2c(nn1[C@H]1CCCCO1)c1cc(Cl)ccc1[nH]c2=O ZINC000095616866 185382846 /nfs/dbraw/zinc/38/28/46/185382846.db2.gz WKWKRWPZGOOCEO-CYBMUJFWSA-N 0 0 317.776 3.539 10 0 DHAERN CC(C)Oc1c(I)cccc1OC1CC1 ZINC000095719555 185383241 /nfs/dbraw/zinc/38/32/41/185383241.db2.gz STYVOVVCWJRWCM-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CC(C)Oc1cccc(OC2CC2)c1I ZINC000095722309 185383505 /nfs/dbraw/zinc/38/35/05/185383505.db2.gz ZEPCXRGDXAFLTC-UHFFFAOYSA-N 0 0 318.154 3.620 10 0 DHAERN CC(C)(C)OC(=O)N1CCCc2ncc(Br)cc21 ZINC000095774326 185384018 /nfs/dbraw/zinc/38/40/18/185384018.db2.gz XBFUZZLWSHHCIR-UHFFFAOYSA-N 0 0 313.195 3.532 10 0 DHAERN C[C@@H](NC(=O)C1CCOCC1)c1ccc(-c2ccccc2)cc1 ZINC000078925411 185129722 /nfs/dbraw/zinc/12/97/22/185129722.db2.gz KZOYTMIIQUAMBI-OAHLLOKOSA-N 0 0 309.409 3.957 10 0 DHAERN CC(C)c1nc(Cl)cc(NCc2ccc3c(c2)OCO3)n1 ZINC000082509612 185189507 /nfs/dbraw/zinc/18/95/07/185189507.db2.gz ZUWRBKRIIKKRIW-UHFFFAOYSA-N 0 0 305.765 3.594 10 0 DHAERN Cc1ccc(-c2nc3c(Br)cccn3c2N)cc1 ZINC000082695860 185195912 /nfs/dbraw/zinc/19/59/12/185195912.db2.gz FSPBYTMPMBUHHJ-UHFFFAOYSA-N 0 0 302.175 3.654 10 0 DHAERN Cc1cc(Cl)c2cc(I)cc(F)c2n1 ZINC000082788773 185203726 /nfs/dbraw/zinc/20/37/26/185203726.db2.gz WAAYODYVIIDRFC-UHFFFAOYSA-N 0 0 321.520 3.940 10 0 DHAERN CCOc1ccc(C(=O)c2ccc(N)cc2)cc1Br ZINC000083162912 185215347 /nfs/dbraw/zinc/21/53/47/185215347.db2.gz GIAGGWUNXDEBIK-UHFFFAOYSA-N 0 0 320.186 3.661 10 0 DHAERN CC(C)[C@H](C)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000088411972 185249283 /nfs/dbraw/zinc/24/92/83/185249283.db2.gz FFBNYSJWKLCUNN-NSHDSACASA-N 0 0 314.389 3.780 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(Cl)c1 ZINC000088559867 185257898 /nfs/dbraw/zinc/25/78/98/185257898.db2.gz VBZJKJSACLHKHI-FZMZJTMJSA-N 0 0 304.825 3.680 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@@H](CC)c1ccc(F)cc1F ZINC000088559881 185258085 /nfs/dbraw/zinc/25/80/85/185258085.db2.gz ULHZXOISYVPCBR-LSDHHAIUSA-N 0 0 320.387 3.695 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2N[C@H](C)c1ccccc1C(F)(F)F ZINC000090224012 185287460 /nfs/dbraw/zinc/28/74/60/185287460.db2.gz DJFSUSPQYCNPDY-QMTHXVAHSA-N 0 0 324.350 3.791 10 0 DHAERN O=c1[nH]c2cc(-c3ccc(Cl)c(Cl)c3)sc2c(=O)o1 ZINC000090487959 185298888 /nfs/dbraw/zinc/29/88/88/185298888.db2.gz ILNFBBNZZIUTKP-UHFFFAOYSA-N 0 0 314.149 3.517 10 0 DHAERN COc1ccc(-c2cnc(C)nc2NC2CCCC2)cc1OC ZINC000090526793 185300688 /nfs/dbraw/zinc/30/06/88/185300688.db2.gz NTEWQFRZQLOYMT-UHFFFAOYSA-N 0 0 313.401 3.824 10 0 DHAERN CCCCCOc1ccc(C(=O)Oc2ccc(CO)cc2)cc1 ZINC000090443467 185296820 /nfs/dbraw/zinc/29/68/20/185296820.db2.gz QBUFWVBDYYKHST-UHFFFAOYSA-N 0 0 314.381 3.967 10 0 DHAERN CCOC(=O)[C@@H]1CCCc2c3cc(OC(F)F)ccc3[nH]c21 ZINC000090470802 185298202 /nfs/dbraw/zinc/29/82/02/185298202.db2.gz HRNXWTWMHYIKIZ-LLVKDONJSA-N 0 0 309.312 3.752 10 0 DHAERN C=C(c1cc(F)ccc1Br)N1CCCCCC1=O ZINC000090557954 185303068 /nfs/dbraw/zinc/30/30/68/185303068.db2.gz AIPPNOQPTGZWBU-UHFFFAOYSA-N 0 0 312.182 3.962 10 0 DHAERN Fc1ccc(Cn2cnc3ncc(-c4cccs4)nc32)cc1 ZINC000090558322 185303253 /nfs/dbraw/zinc/30/32/53/185303253.db2.gz KTNGGZUOYRVYGI-UHFFFAOYSA-N 0 0 310.357 3.742 10 0 DHAERN O=C(Nc1ccccc1)c1c[nH]nc1-c1cc2ccccc2[nH]1 ZINC000090623684 185307190 /nfs/dbraw/zinc/30/71/90/185307190.db2.gz DEGMXEVTINYRBM-UHFFFAOYSA-N 0 0 302.337 3.810 10 0 DHAERN O=C1CCN(CCc2ccccc2)C[C@@H]1CCc1ccccc1 ZINC000090659450 185308248 /nfs/dbraw/zinc/30/82/48/185308248.db2.gz MCJHCPCZIBZRPH-FQEVSTJZSA-N 0 0 307.437 3.753 10 0 DHAERN Cc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c(C)c1 ZINC000092812081 185343558 /nfs/dbraw/zinc/34/35/58/185343558.db2.gz ZEYPLYGQDLFJMH-GOSISDBHSA-N 0 0 324.472 3.958 10 0 DHAERN C/C(=C/c1ccccc1)CN1CCO[C@H](c2nc(C)cs2)C1 ZINC000092790096 185341576 /nfs/dbraw/zinc/34/15/76/185341576.db2.gz KMNKUDYESWWJLQ-QXSWTLKVSA-N 0 0 314.454 3.928 10 0 DHAERN COC[C@@H](C)C(=O)N(Cc1ccc(C)o1)c1ccc(F)cc1 ZINC000108758707 185531032 /nfs/dbraw/zinc/53/10/32/185531032.db2.gz SLZRLPDBPIQATD-GFCCVEGCSA-N 0 0 305.349 3.543 10 0 DHAERN Cc1cc(NC[C@H](C)Nc2ccccc2)nc(-c2cccnc2)n1 ZINC000133341411 334957627 /nfs/dbraw/zinc/95/76/27/334957627.db2.gz APXVTHSQKDJNPZ-HNNXBMFYSA-N 0 0 319.412 3.760 10 0 DHAERN Cc1ccc(-n2nnc(CO)c2-c2ccc(Cl)cc2)cc1F ZINC000070457302 190896740 /nfs/dbraw/zinc/89/67/40/190896740.db2.gz XIBDWPZLSGRKED-UHFFFAOYSA-N 0 0 317.751 3.528 10 0 DHAERN CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C)nc2C)C12CCCC2 ZINC000150786373 186065732 /nfs/dbraw/zinc/06/57/32/186065732.db2.gz WLFSDGOZIFMQPY-IAGOWNOFSA-N 0 0 316.445 3.508 10 0 DHAERN CCOC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)[nH]c1=O ZINC000072416840 191155298 /nfs/dbraw/zinc/15/52/98/191155298.db2.gz WQUUXUFBDSMXPE-UHFFFAOYSA-N 0 0 319.360 3.886 10 0 DHAERN CCCCCNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450849 191169925 /nfs/dbraw/zinc/16/99/25/191169925.db2.gz WAVDROAZQLKLEF-UHFFFAOYSA-N 0 0 318.804 3.615 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)Nc3ccccc3F)c(=O)[nH]2)cc1 ZINC000072451072 191170436 /nfs/dbraw/zinc/17/04/36/191170436.db2.gz URTQLVJCRLERRT-UHFFFAOYSA-N 0 0 322.339 3.742 10 0 DHAERN COc1ccc(-c2ccnc3nc(-c4ccc(C)cc4)nn32)cc1 ZINC000072451531 191171933 /nfs/dbraw/zinc/17/19/33/191171933.db2.gz PGJLUNNKHAIFRM-UHFFFAOYSA-N 0 0 316.364 3.775 10 0 DHAERN COc1ccc(-c2cnn3cc4c(nc23)CC(C)(C)CC4=O)cc1 ZINC000072464034 191174214 /nfs/dbraw/zinc/17/42/14/191174214.db2.gz ZIJFEPXHHGGDJE-UHFFFAOYSA-N 0 0 321.380 3.560 10 0 DHAERN O=C(c1cccnc1)N1c2ccccc2S(=O)c2ccccc21 ZINC000072470928 191176102 /nfs/dbraw/zinc/17/61/02/191176102.db2.gz PSGYSIZWVAHUHO-UHFFFAOYSA-N 0 0 320.373 3.540 10 0 DHAERN Cc1cc(C)c2ccc(NC(=O)c3cccnc3Cl)nc2n1 ZINC000000160966 180711844 /nfs/dbraw/zinc/71/18/44/180711844.db2.gz OETFSDWMHWZALU-UHFFFAOYSA-N 0 0 312.760 3.547 10 0 DHAERN CSc1nnc(S[C@H](C)C(=O)c2ccc(F)cc2)s1 ZINC000072645873 191208754 /nfs/dbraw/zinc/20/87/54/191208754.db2.gz ZAKQTYSSUVNLBH-SSDOTTSWSA-N 0 0 314.432 3.763 10 0 DHAERN COc1ccc(-c2cc(=O)cc(-c3ccc(OC)cc3)o2)cc1 ZINC000001574239 180874710 /nfs/dbraw/zinc/87/47/10/180874710.db2.gz LECSSHUYKZKQDD-UHFFFAOYSA-N 0 0 308.333 3.991 10 0 DHAERN C[C@@H]1CCc2c(sc3ncn4c(nnc4-c4ccncc4)c23)C1 ZINC000001942486 180903281 /nfs/dbraw/zinc/90/32/81/180903281.db2.gz PKOPILYLFWMPMZ-SNVBAGLBSA-N 0 0 321.409 3.526 10 0 DHAERN CCCCCCN(CCC(=O)NCCCC)C(=O)c1ccoc1 ZINC000004872907 181167006 /nfs/dbraw/zinc/16/70/06/181167006.db2.gz NZQIITVVWYIBPG-UHFFFAOYSA-N 0 0 322.449 3.609 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)NCC(C)(C)CCO)cc1 ZINC000073489738 191321600 /nfs/dbraw/zinc/32/16/00/191321600.db2.gz RNPFDZOHPOBJKW-CQSZACIVSA-N 0 0 306.450 3.579 10 0 DHAERN CCC[C@@H]1C[C@@H]1NC(=O)c1cc(F)ccc1Br ZINC000075376825 191467658 /nfs/dbraw/zinc/46/76/58/191467658.db2.gz NNFNEIBQUNONFX-PELKAZGASA-N 0 0 300.171 3.507 10 0 DHAERN Nc1ccc(Br)cc1C(=O)c1cccc(Cl)c1 ZINC000005161768 181211974 /nfs/dbraw/zinc/21/19/74/181211974.db2.gz CIHUFPIEIXGOOQ-UHFFFAOYSA-N 0 0 310.578 3.916 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)CNc1ccc(N(C)C)cc1 ZINC000005215200 181217931 /nfs/dbraw/zinc/21/79/31/181217931.db2.gz GOKVKYBSPUKFMK-UHFFFAOYSA-N 0 0 317.820 3.765 10 0 DHAERN Cc1ccc(N2C(=O)[C@H](C(C)C)N3C(=O)c4ccccc4[C@@H]23)cc1 ZINC000005751631 181281083 /nfs/dbraw/zinc/28/10/83/181281083.db2.gz IWZNCGONGRJQPL-ROUUACIJSA-N 0 0 320.392 3.521 10 0 DHAERN CCc1ccc([C@H](C)C(=O)N2CCCc3c(N)cccc32)cc1 ZINC000236973346 202103753 /nfs/dbraw/zinc/10/37/53/202103753.db2.gz QAEZJXXRERJSNG-AWEZNQCLSA-N 0 0 308.425 3.914 10 0 DHAERN O=C(Cc1ccc(F)c(F)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000087050847 192617371 /nfs/dbraw/zinc/61/73/71/192617371.db2.gz IDHDVOQYQVWKEB-QWRGUYRKSA-N 0 0 321.289 3.745 10 0 DHAERN O=C(c1ccccc1F)N1CCC(Nc2ccccc2F)CC1 ZINC000006226930 181320935 /nfs/dbraw/zinc/32/09/35/181320935.db2.gz IYIWVASUCQABJP-UHFFFAOYSA-N 0 0 316.351 3.682 10 0 DHAERN CCN(C(=S)NC(=O)C=Cc1ccc(C)cc1)c1ccccc1 ZINC000006311606 181328557 /nfs/dbraw/zinc/32/85/57/181328557.db2.gz RRXZRJMGNPRAME-BUHFOSPRSA-N 0 0 324.449 3.936 10 0 DHAERN CCOc1ncccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000006335826 181331517 /nfs/dbraw/zinc/33/15/17/181331517.db2.gz FQBUSGJUUNOJEE-NSHDSACASA-N 0 0 304.777 3.625 10 0 DHAERN CCc1nn(Cc2ccccc2)c(=O)c2cc3cc(C)ccc3n21 ZINC000006803419 181391215 /nfs/dbraw/zinc/39/12/15/181391215.db2.gz QJQXOONLBUOQRF-UHFFFAOYSA-N 0 0 317.392 3.568 10 0 DHAERN Cc1cc(-n2cccn2)ccc1-c1cn([C@@H](C)c2ccco2)nn1 ZINC000091468460 193059958 /nfs/dbraw/zinc/05/99/58/193059958.db2.gz VUIRYZUFMIRNDT-AWEZNQCLSA-N 0 0 319.368 3.642 10 0 DHAERN COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1Br ZINC000091690869 193091969 /nfs/dbraw/zinc/09/19/69/193091969.db2.gz WQXISULVFBEYDR-UHFFFAOYSA-N 0 0 322.202 3.702 10 0 DHAERN O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1 ZINC000224281785 201673110 /nfs/dbraw/zinc/67/31/10/201673110.db2.gz JUEHDPGSAZXXPV-UHFFFAOYSA-N 0 0 309.300 3.660 10 0 DHAERN N[C@H]1c2ccsc2N=CN1c1cccc(Br)c1 ZINC000257351035 203068807 /nfs/dbraw/zinc/06/88/07/203068807.db2.gz BTNTUUZARXLUEV-LLVKDONJSA-N 0 0 308.204 3.648 10 0 DHAERN N[C@@H]1c2ccsc2N=CN1c1ccc(Br)cc1 ZINC000257352524 203069174 /nfs/dbraw/zinc/06/91/74/203069174.db2.gz LUEFDISPHKQGKH-NSHDSACASA-N 0 0 308.204 3.648 10 0 DHAERN C[C@H](NCC(=O)Nc1c(Cl)cccc1Cl)c1ccco1 ZINC000007800010 181498290 /nfs/dbraw/zinc/49/82/90/181498290.db2.gz SZUDVJBPGXYISH-VIFPVBQESA-N 0 0 313.184 3.876 10 0 DHAERN CCN(CC)c1ncnc(Nc2cccc3nc(C)ccc32)c1N ZINC000096328192 193613375 /nfs/dbraw/zinc/61/33/75/193613375.db2.gz QCZKDFZXWJSZFK-UHFFFAOYSA-N 0 0 322.416 3.505 10 0 DHAERN CCc1ccc(OCCn2c3ccccc3nc2C(C)(C)O)cc1 ZINC000008785986 181586699 /nfs/dbraw/zinc/58/66/99/181586699.db2.gz KYYGWNLHVQEGNB-UHFFFAOYSA-N 0 0 324.424 3.905 10 0 DHAERN C[C@@H]1CCc2c(sc(N)c2C(=O)NCc2ccc(F)cc2)C1 ZINC000009246192 181609920 /nfs/dbraw/zinc/60/99/20/181609920.db2.gz YOYTZJFJHBYODY-SNVBAGLBSA-N 0 0 318.417 3.524 10 0 DHAERN CCCCNC(=S)NC(=O)c1cccc(OCCC(C)C)c1 ZINC000010472148 181671889 /nfs/dbraw/zinc/67/18/89/181671889.db2.gz XNULHXVMGULZNL-UHFFFAOYSA-N 0 0 322.474 3.516 10 0 DHAERN CC(=O)N(C[C@@H]1CCCO1)c1nc2c(cc(Cl)cc2C)s1 ZINC000010526683 181673779 /nfs/dbraw/zinc/67/37/79/181673779.db2.gz SFSXEUSNHWDGKS-LBPRGKRZSA-N 0 0 324.833 3.790 10 0 DHAERN COc1cccc2cc3c(nc21)N(C(=O)c1ccc(F)cc1)CC3 ZINC000012032115 181724754 /nfs/dbraw/zinc/72/47/54/181724754.db2.gz FQKJCKIBWMDKNI-UHFFFAOYSA-N 0 0 322.339 3.585 10 0 DHAERN COc1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1 ZINC000014028827 181920811 /nfs/dbraw/zinc/92/08/11/181920811.db2.gz XZWWTCWKSYOAOM-UHFFFAOYSA-N 0 0 320.458 3.869 10 0 DHAERN CCOc1ccc(C(=O)Oc2cccc(NC(=O)CC)c2)cc1 ZINC000014767223 181970181 /nfs/dbraw/zinc/97/01/81/181970181.db2.gz IVOBMFPJEDEHMY-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN CCCCOc1ccccc1NC(=S)NC(=O)CC(C)C ZINC000014783983 181971000 /nfs/dbraw/zinc/97/10/00/181971000.db2.gz ARICNRZWILWKBP-UHFFFAOYSA-N 0 0 308.447 3.725 10 0 DHAERN CCc1ccc(NC(=O)[C@H](CC)Oc2ccc(C=O)cc2)cc1 ZINC000016895759 182062410 /nfs/dbraw/zinc/06/24/10/182062410.db2.gz PXFGKVJRHZBFKH-SFHVURJKSA-N 0 0 311.381 3.858 10 0 DHAERN C[C@@H]1CN(C(=O)/C(=C/c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000017055821 182073311 /nfs/dbraw/zinc/07/33/11/182073311.db2.gz VZIYGZNKPNNMAY-UQEILIANSA-N 0 0 321.420 3.863 10 0 DHAERN C[C@H]1CN(C(=O)c2ccccc2Cc2ccccc2)C[C@H](C)O1 ZINC000017325863 182083593 /nfs/dbraw/zinc/08/35/93/182083593.db2.gz TZJNZNCXMSIMRW-HOTGVXAUSA-N 0 0 309.409 3.527 10 0 DHAERN Nc1ccc2oc(-c3ccc(Br)cc3F)nc2c1 ZINC000019434462 182123103 /nfs/dbraw/zinc/12/31/03/182123103.db2.gz KKCXFJJQYZKGFD-UHFFFAOYSA-N 0 0 307.122 3.979 10 0 DHAERN Cc1cccc(C(=O)Nc2ccc(Br)cc2C)c1N ZINC000019407817 182122354 /nfs/dbraw/zinc/12/23/54/182122354.db2.gz ZONYAMZXVWNGKO-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Cc1ccc(O)c(C(=O)Nc2ccccc2Br)c1 ZINC000019509391 182126526 /nfs/dbraw/zinc/12/65/26/182126526.db2.gz QIEXLWIOBXTQHM-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN COc1ccc(N)cc1OCc1cccc(Br)c1 ZINC000019519506 182127485 /nfs/dbraw/zinc/12/74/85/182127485.db2.gz KGLFDEYEPODKII-UHFFFAOYSA-N 0 0 308.175 3.619 10 0 DHAERN C[C@@H](c1cc2cc(Br)ccc2o1)n1nccc1N ZINC000019689236 182136727 /nfs/dbraw/zinc/13/67/27/182136727.db2.gz QKPDOYPPXJDMOT-QMMMGPOBSA-N 0 0 306.163 3.583 10 0 DHAERN Cc1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1N ZINC000020011120 182178042 /nfs/dbraw/zinc/17/80/42/182178042.db2.gz CNRPIKHDDQLXEF-NSHDSACASA-N 0 0 304.777 3.637 10 0 DHAERN CCOC(=O)c1c(N)scc1-c1ccccc1OC(F)F ZINC000020018101 182179161 /nfs/dbraw/zinc/17/91/61/182179161.db2.gz PLYNJVXSRRPKAT-UHFFFAOYSA-N 0 0 313.325 3.775 10 0 DHAERN COc1ccc(Cl)cc1NC(=O)CCc1cccc(N)c1 ZINC000020187146 182195456 /nfs/dbraw/zinc/19/54/56/182195456.db2.gz VVFSMFRNSXEVAN-UHFFFAOYSA-N 0 0 304.777 3.502 10 0 DHAERN Nc1ccccc1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020187558 182195498 /nfs/dbraw/zinc/19/54/98/182195498.db2.gz AIXPWUUCCIUOMU-UHFFFAOYSA-N 0 0 308.303 3.859 10 0 DHAERN CCOC(=O)c1c(C)[nH]cc1Cc1ccccc1Br ZINC000020272532 182202679 /nfs/dbraw/zinc/20/26/79/182202679.db2.gz RGXJJAMRNDQWEC-UHFFFAOYSA-N 0 0 322.202 3.853 10 0 DHAERN COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)NC1CCCC1 ZINC000020301399 182204592 /nfs/dbraw/zinc/20/45/92/182204592.db2.gz IMCFMQAJPVKXPW-NSHDSACASA-N 0 0 310.825 3.516 10 0 DHAERN CC(C)(C)[C@H]1CCc2c(sc3ncnc(NCCCO)c32)C1 ZINC000020322923 182206926 /nfs/dbraw/zinc/20/69/26/182206926.db2.gz SYKBEWYBLHXELQ-NSHDSACASA-N 0 0 319.474 3.637 10 0 DHAERN Cc1sc2nc(C)nc(NCCCO)c2c1-c1ccccc1 ZINC000020323970 182208010 /nfs/dbraw/zinc/20/80/10/182208010.db2.gz VFMIFZPVYGZJHF-UHFFFAOYSA-N 0 0 313.426 3.769 10 0 DHAERN CCC[C@H](C)NC(=O)[C@H](C)Nc1ccccc1Br ZINC000020367895 182212587 /nfs/dbraw/zinc/21/25/87/182212587.db2.gz UKXFZUZRQDYJSM-QWRGUYRKSA-N 0 0 313.239 3.554 10 0 DHAERN CC(C)NC(=O)[C@H](C)Nc1cc(Cl)c(Cl)cc1Cl ZINC000020420191 182215697 /nfs/dbraw/zinc/21/56/97/182215697.db2.gz VNEWJJJMEJDRSK-ZETCQYMHSA-N 0 0 309.624 3.972 10 0 DHAERN Cc1ccc(-n2ccnc(NCCC(C)C)c2=O)cc1Cl ZINC000021894533 182297058 /nfs/dbraw/zinc/29/70/58/182297058.db2.gz IKGGNSYLRFSGMT-UHFFFAOYSA-N 0 0 305.809 3.652 10 0 DHAERN O=c1cc(-c2ccc(Br)cc2)[nH]c2ccccc12 ZINC000021996403 182302970 /nfs/dbraw/zinc/30/29/70/182302970.db2.gz GAULKTDCGKAXEY-UHFFFAOYSA-N 0 0 300.155 3.958 10 0 DHAERN CC(C)Cn1cnc2c(-c3cccc(F)c3)csc2c1=O ZINC000023126182 182349348 /nfs/dbraw/zinc/34/93/48/182349348.db2.gz UGUKSSCONYBYMP-UHFFFAOYSA-N 0 0 302.374 3.920 10 0 DHAERN OCCn1ccc(-c2cccc(-c3cncc4ccccc43)c2)n1 ZINC000023338972 182357085 /nfs/dbraw/zinc/35/70/85/182357085.db2.gz OTTYCZGFKTUOGM-UHFFFAOYSA-N 0 0 315.376 3.758 10 0 DHAERN Clc1ccc(C(c2ccc(Cl)cc2)n2ncnn2)cc1 ZINC000027428505 182472251 /nfs/dbraw/zinc/47/22/51/182472251.db2.gz DIKFTTPTTFVNPW-UHFFFAOYSA-N 0 0 305.168 3.618 10 0 DHAERN Cc1nc2[nH]ccc2c(Nc2cccc(Br)c2)n1 ZINC000027901413 182496089 /nfs/dbraw/zinc/49/60/89/182496089.db2.gz ICSVYLGVXPBMEF-UHFFFAOYSA-N 0 0 303.163 3.772 10 0 DHAERN Cc1nn(C)c(C)c1NCc1ccc(Br)cc1F ZINC000036984997 182859151 /nfs/dbraw/zinc/85/91/51/182859151.db2.gz IFCXXITYUHMXFT-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN CC(C)(C)c1nc([C@@H](N)c2cc(Cl)cc(Cl)c2)no1 ZINC000037425140 182892115 /nfs/dbraw/zinc/89/21/15/182892115.db2.gz OTUSIJHWPVNMKC-JTQLQIEISA-N 0 0 300.189 3.722 10 0 DHAERN CN(Cc1ccc(Cl)s1)C(=O)c1ccc(Cl)c(N)c1 ZINC000037800074 182927367 /nfs/dbraw/zinc/92/73/67/182927367.db2.gz OORPTINFDBDLDM-UHFFFAOYSA-N 0 0 315.225 3.909 10 0 DHAERN CSc1ccc(CN(C)C(=O)c2cc(Cl)ccn2)cc1 ZINC000037976665 182948201 /nfs/dbraw/zinc/94/82/01/182948201.db2.gz FTHNDAXTFLDDBI-UHFFFAOYSA-N 0 0 306.818 3.729 10 0 DHAERN NC(=S)CCOc1ccc2ccccc2c1Br ZINC000038077718 182986249 /nfs/dbraw/zinc/98/62/49/182986249.db2.gz AEWDUHHNEVXJMW-UHFFFAOYSA-N 0 0 310.216 3.657 10 0 DHAERN O=C(Cc1ccc(-c2ccncc2)cc1)NCc1cccc(F)c1 ZINC000038248173 182996626 /nfs/dbraw/zinc/99/66/26/182996626.db2.gz LWCHEVSSJVRFRC-UHFFFAOYSA-N 0 0 320.367 3.747 10 0 DHAERN COc1cccc2c(C)cc(SCC(=O)OCC(C)C)nc12 ZINC000040167515 183043472 /nfs/dbraw/zinc/04/34/72/183043472.db2.gz IIXCMQRDHOFFAQ-UHFFFAOYSA-N 0 0 319.426 3.843 10 0 DHAERN CCCCCCn1c(CCCNC(C)=O)nc2ccccc21 ZINC000040203834 183045485 /nfs/dbraw/zinc/04/54/85/183045485.db2.gz MPQIQCXVIPAEOZ-UHFFFAOYSA-N 0 0 301.434 3.685 10 0 DHAERN Cc1cccc(C)c1OCCn1c2ccccc2nc1[C@H](C)O ZINC000040224862 183047228 /nfs/dbraw/zinc/04/72/28/183047228.db2.gz IAZUFFXNLMOIIV-HNNXBMFYSA-N 0 0 310.397 3.785 10 0 DHAERN CCCCn1c(CNC(=O)C(CC)CC)nc2ccccc21 ZINC000040274997 183050816 /nfs/dbraw/zinc/05/08/16/183050816.db2.gz XKQXJQGRGWVMOZ-UHFFFAOYSA-N 0 0 301.434 3.889 10 0 DHAERN Cc1cccc(OCCCn2c(CO)nc3cc(C)c(C)cc32)c1 ZINC000040309007 183053579 /nfs/dbraw/zinc/05/35/79/183053579.db2.gz QUQLFZMPUWLMRU-UHFFFAOYSA-N 0 0 324.424 3.923 10 0 DHAERN Cc1ccc(C(=O)NCc2cc(-c3ccc(C)cc3)no2)cc1 ZINC000040323514 183054274 /nfs/dbraw/zinc/05/42/74/183054274.db2.gz JDPKWAGVPCPAHW-UHFFFAOYSA-N 0 0 306.365 3.888 10 0 DHAERN Cc1ccc(OC[C@H](O)c2ccc(Cl)c(Cl)c2)c(N)c1 ZINC000040352471 183056251 /nfs/dbraw/zinc/05/62/51/183056251.db2.gz OVTXVJPLUHWQGY-AWEZNQCLSA-N 0 0 312.196 3.996 10 0 DHAERN Cc1ccc(OCc2nc3cc(Cl)ccc3n2CCO)cc1 ZINC000040401085 183061266 /nfs/dbraw/zinc/06/12/66/183061266.db2.gz AFSJWLKFEGOYRG-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN OCCn1c2ccc(C(F)(F)F)cc2nc1Cc1ccccc1 ZINC000040400904 183061537 /nfs/dbraw/zinc/06/15/37/183061537.db2.gz PLRWTSLTKWPWRO-UHFFFAOYSA-N 0 0 320.314 3.638 10 0 DHAERN CC(C)(C)Nc1ncnc(Nc2cccc3cccnc32)c1N ZINC000040680539 183117113 /nfs/dbraw/zinc/11/71/13/183117113.db2.gz VRYFREODWHNTBE-UHFFFAOYSA-N 0 0 308.389 3.561 10 0 DHAERN Cc1ccnc(Nc2ncnc(Nc3cc(C)cc(C)c3)c2N)c1 ZINC000040681724 183117264 /nfs/dbraw/zinc/11/72/64/183117264.db2.gz YEDLOTKBEDBSNW-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CC(C)(C)Nc1ncnc(NCc2ccccc2Cl)c1N ZINC000040680733 183117391 /nfs/dbraw/zinc/11/73/91/183117391.db2.gz YCFOMKUKPYBCPY-UHFFFAOYSA-N 0 0 305.813 3.535 10 0 DHAERN CCc1ccccc1Nc1ncnc(N2CCCCCC2)c1N ZINC000040688194 183117696 /nfs/dbraw/zinc/11/76/96/183117696.db2.gz SVYQFRLPJSXYQZ-UHFFFAOYSA-N 0 0 311.433 3.745 10 0 DHAERN Nc1c(NCc2ccccc2)ncnc1Nc1ccc(F)cc1 ZINC000040709298 183120624 /nfs/dbraw/zinc/12/06/24/183120624.db2.gz MCDJVKUOZWEDEG-UHFFFAOYSA-N 0 0 309.348 3.554 10 0 DHAERN Cc1ccc2cccc(Oc3ncnc(NC(C)C)c3N)c2n1 ZINC000040708075 183121069 /nfs/dbraw/zinc/12/10/69/183121069.db2.gz CKELZXZZKDCZMM-UHFFFAOYSA-N 0 0 309.373 3.528 10 0 DHAERN Nc1c(Nc2ccc(Cl)cc2)ncnc1Nc1ccccn1 ZINC000040778951 183132308 /nfs/dbraw/zinc/13/23/08/183132308.db2.gz SQJPUGRMEIZUMP-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2N)cc1 ZINC000040782083 183132970 /nfs/dbraw/zinc/13/29/70/183132970.db2.gz QECOCWCWAZTGBJ-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Nc1c(Nc2ccc(Cl)cn2)ncnc1Oc1ccccc1 ZINC000040779493 183133267 /nfs/dbraw/zinc/13/32/67/183133267.db2.gz JGELSCTVLSHTJS-UHFFFAOYSA-N 0 0 313.748 3.643 10 0 DHAERN Cc1ccc(Oc2ncnc(NCc3ccc(F)cc3)c2N)cc1 ZINC000040796283 183135044 /nfs/dbraw/zinc/13/50/44/183135044.db2.gz WEFWONJWKQXUSC-UHFFFAOYSA-N 0 0 324.359 3.911 10 0 DHAERN Nc1c(Nc2ccc(F)c(F)c2)ncnc1OC1CCCCC1 ZINC000040800384 183135442 /nfs/dbraw/zinc/13/54/42/183135442.db2.gz YHHWMVZOYXNBLV-UHFFFAOYSA-N 0 0 320.343 3.792 10 0 DHAERN CCc1ccc(Oc2ncnc(Oc3cccnc3)c2N)cc1 ZINC000040798321 183135559 /nfs/dbraw/zinc/13/55/59/183135559.db2.gz YTQJUKUKASCEGT-UHFFFAOYSA-N 0 0 308.341 3.601 10 0 DHAERN Cc1cc(Oc2ncnc(N3CCCC3)c2N)cc(C)c1Cl ZINC000040724509 183124622 /nfs/dbraw/zinc/12/46/22/183124622.db2.gz RXHPWRBNGUZTJC-UHFFFAOYSA-N 0 0 318.808 3.722 10 0 DHAERN CCc1ccc(Oc2ncnc(N3CCCCCC3)c2N)cc1 ZINC000040725710 183125159 /nfs/dbraw/zinc/12/51/59/183125159.db2.gz AABNFDMMBOQTGE-UHFFFAOYSA-N 0 0 312.417 3.794 10 0 DHAERN CC(C)CN(CC(C)C)c1ncnc(OC2CCCCC2)c1N ZINC000040735960 183126168 /nfs/dbraw/zinc/12/61/68/183126168.db2.gz BYMMQRFYUTXFEV-UHFFFAOYSA-N 0 0 320.481 3.889 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ncccc3C)c2N)c1C ZINC000040755028 183129286 /nfs/dbraw/zinc/12/92/86/183129286.db2.gz LDPCWVLAFNSYSV-UHFFFAOYSA-N 0 0 320.400 3.866 10 0 DHAERN CN(c1ccccc1)c1ncnc(Nc2ccc(F)cc2)c1N ZINC000040757756 183129431 /nfs/dbraw/zinc/12/94/31/183129431.db2.gz FCYYYCLPNXHXOF-UHFFFAOYSA-N 0 0 309.348 3.709 10 0 DHAERN Nc1c(Nc2cccnc2)ncnc1Nc1ccccc1Cl ZINC000040759675 183130568 /nfs/dbraw/zinc/13/05/68/183130568.db2.gz QVBPBPHJUPKGDS-UHFFFAOYSA-N 0 0 312.764 3.594 10 0 DHAERN Nc1c(Nc2ccccc2F)ncnc1Nc1ccccc1F ZINC000040759104 183130670 /nfs/dbraw/zinc/13/06/70/183130670.db2.gz LCJKNNZAAYNTQC-UHFFFAOYSA-N 0 0 313.311 3.824 10 0 DHAERN COCc1nn2cc(-c3ccc(Cl)cc3Cl)nc2s1 ZINC000040963931 183152366 /nfs/dbraw/zinc/15/23/66/183152366.db2.gz CAEZHNFXUZGPHO-UHFFFAOYSA-N 0 0 314.197 3.911 10 0 DHAERN O=C(COc1ccccc1)Nc1ccnc2c(Cl)cccc12 ZINC000041057501 183159909 /nfs/dbraw/zinc/15/99/09/183159909.db2.gz CPMNWPPLAAIHIK-UHFFFAOYSA-N 0 0 312.756 3.906 10 0 DHAERN Fc1cccc2c(Br)c(Br)cnc12 ZINC000041702624 183218306 /nfs/dbraw/zinc/21/83/06/183218306.db2.gz IAJRJJNOBNZWBD-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN Fc1ccc2ncc(Br)c(Br)c2c1 ZINC000041702613 183218448 /nfs/dbraw/zinc/21/84/48/183218448.db2.gz MBVPLBGYZMRZJQ-UHFFFAOYSA-N 0 0 304.944 3.899 10 0 DHAERN CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C ZINC000041779517 183219948 /nfs/dbraw/zinc/21/99/48/183219948.db2.gz UZBIANWZAHZREG-KDOFPFPSSA-N 0 0 324.424 3.778 10 0 DHAERN CCCO[C@H]1CCCN(Cc2cccc(Br)c2)C1 ZINC000042424676 183268577 /nfs/dbraw/zinc/26/85/77/183268577.db2.gz QWWBETNPVIPBCF-HNNXBMFYSA-N 0 0 312.251 3.840 10 0 DHAERN CC(C)C[C@H](C)N(C)CC(=O)c1cccc(Br)c1 ZINC000042586890 183288116 /nfs/dbraw/zinc/28/81/16/183288116.db2.gz PGKYVAZBBNTBIL-LBPRGKRZSA-N 0 0 312.251 3.998 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000043066788 183333894 /nfs/dbraw/zinc/33/38/94/183333894.db2.gz NQRQBNIUPHJHHE-ZIAGYGMSSA-N 0 0 315.417 3.761 10 0 DHAERN C[C@H](c1ccc(Br)s1)n1ncc(Cl)c1N ZINC000043665823 183377894 /nfs/dbraw/zinc/37/78/94/183377894.db2.gz RIPAQGKHPUVBOD-RXMQYKEDSA-N 0 0 306.616 3.552 10 0 DHAERN C[C@H]1C[C@@H]1NC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000105029605 194065714 /nfs/dbraw/zinc/06/57/14/194065714.db2.gz NPGUQTDQDNLNQT-WFASDCNBSA-N 0 0 313.426 3.904 10 0 DHAERN CCCCc1nc(CN2CCC(Cn3cccn3)CC2)cs1 ZINC000106182369 194189112 /nfs/dbraw/zinc/18/91/12/194189112.db2.gz KCWNYMLDRVMONL-UHFFFAOYSA-N 0 0 318.490 3.594 10 0 DHAERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N1Cc2ccccc2C1 ZINC000106258039 194193064 /nfs/dbraw/zinc/19/30/64/194193064.db2.gz SBBNUBMJJLKKRW-UONOGXRCSA-N 0 0 312.335 3.833 10 0 DHAERN Cn1cccc1CNc1c2nsnc2c(Cl)cc1Cl ZINC000050595724 183790078 /nfs/dbraw/zinc/79/00/78/183790078.db2.gz JCJNQYWEMLKNHR-UHFFFAOYSA-N 0 0 313.213 3.949 10 0 DHAERN Cc1ccc(N)c(C(=O)Nc2ccc(Br)cc2C)c1 ZINC000052999767 183883420 /nfs/dbraw/zinc/88/34/20/183883420.db2.gz HNRNUDOJCCMKMI-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN CC(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)n(C)c1 ZINC000056353685 184011113 /nfs/dbraw/zinc/01/11/13/184011113.db2.gz LGSZKRDCORPIBH-SECBINFHSA-N 0 0 322.767 3.511 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3cc(F)ccc3F)n2)c1 ZINC000057341959 184034086 /nfs/dbraw/zinc/03/40/86/184034086.db2.gz UKAUOSSASATBDO-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN COCc1cc(Cl)nc(Nc2cc(F)ccc2Cl)n1 ZINC000057343640 184034210 /nfs/dbraw/zinc/03/42/10/184034210.db2.gz WVQCAWWQZCQXRY-UHFFFAOYSA-N 0 0 302.136 3.813 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(F)cc3F)n2)cc1 ZINC000057342078 184034349 /nfs/dbraw/zinc/03/43/49/184034349.db2.gz QZYFWTKUNUVTMO-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN Cc1cccc(-c2cc(=O)[nH]c(Nc3ccc(F)c(F)c3)n2)c1 ZINC000057341961 184034402 /nfs/dbraw/zinc/03/44/02/184034402.db2.gz BOFOZEDGYSVLBU-UHFFFAOYSA-N 0 0 313.307 3.767 10 0 DHAERN O=c1cc(-c2ccccc2)nc(Nc2cc(F)c(F)c(F)c2)[nH]1 ZINC000057341559 184034477 /nfs/dbraw/zinc/03/44/77/184034477.db2.gz RRLBLXDJZFRXMA-UHFFFAOYSA-N 0 0 317.270 3.598 10 0 DHAERN CC1(C)C(=O)Nc2ccc([C@H](O)c3ccccc3Cl)cc21 ZINC000058089550 184073999 /nfs/dbraw/zinc/07/39/99/184073999.db2.gz IGUOONWEVAOKPC-HNNXBMFYSA-N 0 0 301.773 3.651 10 0 DHAERN CC[C@@H](C)c1cc(C(=O)N2Cc3ccccc3C2)c(O)cc1O ZINC000058592387 184124029 /nfs/dbraw/zinc/12/40/29/184124029.db2.gz JUVRJNYFHAUUEF-GFCCVEGCSA-N 0 0 311.381 3.767 10 0 DHAERN CCC1CCC(NC(=O)c2ccc(Br)cn2)CC1 ZINC000061874420 184191328 /nfs/dbraw/zinc/19/13/28/184191328.db2.gz IDUNIKFAGFFDEA-UHFFFAOYSA-N 0 0 311.223 3.543 10 0 DHAERN C[C@@H](O)c1ccc(Oc2ccc(CO)cc2)c(Br)c1 ZINC000061697860 184183927 /nfs/dbraw/zinc/18/39/27/184183927.db2.gz FZYPDBBJTPSJNM-SNVBAGLBSA-N 0 0 323.186 3.787 10 0 DHAERN Cc1cc2nc(Cc3ccccc3)cn2cc1Br ZINC000062431811 184236147 /nfs/dbraw/zinc/23/61/47/184236147.db2.gz AWBWGGINKOZNQF-UHFFFAOYSA-N 0 0 301.187 3.996 10 0 DHAERN Cc1cc(Br)ccc1Nc1ncnc(Cl)c1N ZINC000062362444 184233179 /nfs/dbraw/zinc/23/31/79/184233179.db2.gz MUSQUCGNGRZFJY-UHFFFAOYSA-N 0 0 313.586 3.527 10 0 DHAERN Brc1ccc([C@H]2CN[C@H](c3ccccc3)CO2)s1 ZINC000063003340 184265945 /nfs/dbraw/zinc/26/59/45/184265945.db2.gz XHHXKYCCPBJYOZ-NWDGAFQWSA-N 0 0 324.243 3.913 10 0 DHAERN CCN1C(=S)N=NC1COc1ccc(-c2ccccc2)cc1 ZINC000064871780 184305087 /nfs/dbraw/zinc/30/50/87/184305087.db2.gz YICXOUIKEOVMEU-UHFFFAOYSA-N 0 0 311.410 3.833 10 0 DHAERN CCN1C(=S)N=NC1COc1ccc(C)cc1C(C)(C)C ZINC000064871708 184305359 /nfs/dbraw/zinc/30/53/59/184305359.db2.gz KBXADICRDQBJKK-UHFFFAOYSA-N 0 0 305.447 3.772 10 0 DHAERN CCN1CCCc2cc(C(=O)NCc3ccc(F)cc3)sc21 ZINC000065226017 184315499 /nfs/dbraw/zinc/31/54/99/184315499.db2.gz CZHXWAILKRQMBD-UHFFFAOYSA-N 0 0 318.417 3.590 10 0 DHAERN c1sc([C@@H]2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)nc1C1CC1 ZINC000503719546 257209018 /nfs/dbraw/zinc/20/90/18/257209018.db2.gz NGOCNTWOTYVHMW-VNQPRFMTSA-N 0 0 304.459 3.582 10 0 DHAERN Nc1nc(-c2cccc(Br)c2)cc(C(F)(F)F)n1 ZINC000216614611 257273742 /nfs/dbraw/zinc/27/37/42/257273742.db2.gz IOSUJIBJWOFHDX-UHFFFAOYSA-N 0 0 318.096 3.507 10 0 DHAERN Cc1cc(C)cc([C@@H]2CCN(C(=O)OC(C)(C)C)CC2=O)c1 ZINC000071790607 184841996 /nfs/dbraw/zinc/84/19/96/184841996.db2.gz HDQSRVNBNJFVBF-HNNXBMFYSA-N 0 0 303.402 3.597 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cc(Br)ccc2C)o1 ZINC000313685586 332817152 /nfs/dbraw/zinc/81/71/52/332817152.db2.gz AHLPNSIVNCCTTH-LLVKDONJSA-N 0 0 309.207 3.905 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc2cc[nH]c2c1 ZINC000172970989 332820396 /nfs/dbraw/zinc/82/03/96/332820396.db2.gz JPYNTXZFLUUNAA-AWEZNQCLSA-N 0 0 308.381 3.503 10 0 DHAERN Cc1cc(NC(=O)N2CCS[C@@H](C)C2)ccc1C(F)(F)F ZINC000174300845 332850838 /nfs/dbraw/zinc/85/08/38/332850838.db2.gz MUWYLCOQQAXPRY-JTQLQIEISA-N 0 0 318.364 3.983 10 0 DHAERN C[C@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)c1ccco1 ZINC000035238126 331489031 /nfs/dbraw/zinc/48/90/31/331489031.db2.gz GVNDUZBVKTYMPF-VIFPVBQESA-N 0 0 319.304 3.746 10 0 DHAERN O=C(Nc1ccc(Cl)cn1)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109098992 331509887 /nfs/dbraw/zinc/50/98/87/331509887.db2.gz NMLNKSOFWJXGGB-QWRGUYRKSA-N 0 0 308.715 3.755 10 0 DHAERN CN(C)c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109085668 331510032 /nfs/dbraw/zinc/51/00/32/331510032.db2.gz XMBVZCJKNIGVJC-OLZOCXBDSA-N 0 0 316.351 3.773 10 0 DHAERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1F ZINC000109088186 331510287 /nfs/dbraw/zinc/51/02/87/331510287.db2.gz PMMUKICCCROHLV-VXGBXAGGSA-N 0 0 321.298 3.855 10 0 DHAERN Cc1cncc(/C=C\C(=O)N2CCCC[C@@H]2c2nccs2)c1 ZINC000255440056 331743073 /nfs/dbraw/zinc/74/30/73/331743073.db2.gz GHFDTWDBLYZTDR-IYKSTZQJSA-N 0 0 313.426 3.614 10 0 DHAERN CCc1nc(C2(NC/C=C\c3ccc(F)cc3)CCCC2)no1 ZINC000255834603 331806842 /nfs/dbraw/zinc/80/68/42/331806842.db2.gz PXIXXMGGZNDBTA-WAYWQWQTSA-N 0 0 315.392 3.843 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Cc1c[nH]c2cc(Br)ccc12 ZINC000162352448 332935343 /nfs/dbraw/zinc/93/53/43/332935343.db2.gz KHLSMSMPOWNLKM-SNVBAGLBSA-N 0 0 323.234 3.634 10 0 DHAERN Cc1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000130117549 332022798 /nfs/dbraw/zinc/02/27/98/332022798.db2.gz RBTBCOLKFKQNGU-LRDDRELGSA-N 0 0 302.805 3.923 10 0 DHAERN COc1ccc(C)cc1[C@H](C)NC(=O)c1cccc2c1CCCN2 ZINC000130136660 332022991 /nfs/dbraw/zinc/02/29/91/332022991.db2.gz LYJPZNDBFFENRT-AWEZNQCLSA-N 0 0 324.424 3.853 10 0 DHAERN C[C@H](NC(=O)CCC(F)(F)F)c1cccc(Br)c1 ZINC000088833845 332058328 /nfs/dbraw/zinc/05/83/28/332058328.db2.gz ODTJLUGZYZZRRQ-QMMMGPOBSA-N 0 0 324.140 3.969 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)c(O)c2)o1 ZINC000132950540 332136097 /nfs/dbraw/zinc/13/60/97/332136097.db2.gz GKPPQVZURWEPIU-SECBINFHSA-N 0 0 324.174 3.547 10 0 DHAERN CCc1cc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)cc(=O)[nH]1 ZINC000181162309 332186851 /nfs/dbraw/zinc/18/68/51/332186851.db2.gz AFSGCLKBEVRIFE-ZDUSSCGKSA-N 0 0 320.392 3.582 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)CCC1CCOCC1)[C@H](C)C2 ZINC000181247348 332187985 /nfs/dbraw/zinc/18/79/85/332187985.db2.gz DWFOFVBIPMCFJX-AUUYWEPGSA-N 0 0 301.430 3.551 10 0 DHAERN Cc1occc1CN(C)C(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181475622 332196025 /nfs/dbraw/zinc/19/60/25/332196025.db2.gz PYCVGRGTGKZTNT-UGSOOPFHSA-N 0 0 312.413 3.971 10 0 DHAERN Cc1cnc(NC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000043384906 332269374 /nfs/dbraw/zinc/26/93/74/332269374.db2.gz ZMKVLPSMCKCONX-IUCAKERBSA-N 0 0 307.341 3.694 10 0 DHAERN O=C(Cc1ccc(-c2ccccc2)cc1)N[C@H]1CCCC[C@H]1CO ZINC000150990810 332471299 /nfs/dbraw/zinc/47/12/99/332471299.db2.gz HPQHNOSYVVDMCR-PMACEKPBSA-N 0 0 323.436 3.563 10 0 DHAERN CC(C)CC(C)(C)C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000177070518 332969390 /nfs/dbraw/zinc/96/93/90/332969390.db2.gz NLZANFKVHFGKQS-ZDUSSCGKSA-N 0 0 305.418 3.707 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)NCC2(OC)CCC2)o1 ZINC000181797148 333092908 /nfs/dbraw/zinc/09/29/08/333092908.db2.gz WRBRPSLIJJZAKH-HNNXBMFYSA-N 0 0 320.433 3.648 10 0 DHAERN CCc1noc(CC)c1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000086966046 333113013 /nfs/dbraw/zinc/11/30/13/333113013.db2.gz DPASKFCZVFYUFV-KRWDZBQOSA-N 0 0 312.413 3.536 10 0 DHAERN Cn1cc(Cl)cc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000027853332 333121888 /nfs/dbraw/zinc/12/18/88/333121888.db2.gz BPSBJFKNKWLRKS-WPRPVWTQSA-N 0 0 308.731 3.529 10 0 DHAERN COc1ccc(C)cc1CSCc1nnc(C(C)C)n1C ZINC000177364405 333127989 /nfs/dbraw/zinc/12/79/89/333127989.db2.gz QXLRPGPMIYLUEA-UHFFFAOYSA-N 0 0 305.447 3.689 10 0 DHAERN Cc1nccn1C[C@@H]1CCCN1C(=O)CC1CCCCCC1 ZINC000177723548 333131866 /nfs/dbraw/zinc/13/18/66/333131866.db2.gz GEHVJXFIEGEMBQ-KRWDZBQOSA-N 0 0 303.450 3.543 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)NCC1(c2cccs2)CCCCC1 ZINC000187955440 333154675 /nfs/dbraw/zinc/15/46/75/333154675.db2.gz JBCMZORSAPEROS-HUUCEWRRSA-N 0 0 321.486 3.881 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000187981706 333156014 /nfs/dbraw/zinc/15/60/14/333156014.db2.gz DLITZDXISITJDB-DYVFJYSZSA-N 0 0 303.402 3.762 10 0 DHAERN CC(C)c1nnc(CN[C@@H](C)c2ccc(F)c(Cl)c2)n1C ZINC000180738346 333164922 /nfs/dbraw/zinc/16/49/22/333164922.db2.gz AWVCVNRCGHLHEO-JTQLQIEISA-N 0 0 310.804 3.582 10 0 DHAERN Brc1c(N[C@@H]2CCC[C@H]3C[C@H]32)ccc2nccnc21 ZINC000387943551 333186316 /nfs/dbraw/zinc/18/63/16/333186316.db2.gz JLCBXKBASCHHQL-HBNTYKKESA-N 0 0 318.218 3.993 10 0 DHAERN CCn1nc(C)c([C@H](C)Nc2cncc(Br)c2)c1C ZINC000311316412 333311456 /nfs/dbraw/zinc/31/14/56/333311456.db2.gz CTZIKHUSCYESOZ-VIFPVBQESA-N 0 0 323.238 3.850 10 0 DHAERN C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Cl)s1 ZINC000040433521 333353030 /nfs/dbraw/zinc/35/30/30/333353030.db2.gz VXJQMWUFKKPFEZ-QMMMGPOBSA-N 0 0 305.790 3.769 10 0 DHAERN COc1cc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)ccc1F ZINC000187036349 333409866 /nfs/dbraw/zinc/40/98/66/333409866.db2.gz CXQRLRYMNRGURC-SECBINFHSA-N 0 0 324.302 3.995 10 0 DHAERN CCCn1nccc1NC(=O)N[C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182411497 333501411 /nfs/dbraw/zinc/50/14/11/333501411.db2.gz KOOQAGZVAATKNA-DYVFJYSZSA-N 0 0 312.417 3.657 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000186607420 335162450 /nfs/dbraw/zinc/16/24/50/335162450.db2.gz UTARGKHLMIVFFQ-QRVBRYPASA-N 0 0 312.457 3.979 10 0 DHAERN Cc1ccccc1[C@@H](NCc1cc(C(N)=O)co1)c1ccccc1 ZINC000187714849 334269538 /nfs/dbraw/zinc/26/95/38/334269538.db2.gz QDKBBKRCSVZYRD-IBGZPJMESA-N 0 0 320.392 3.566 10 0 DHAERN COc1ccc(O)cc1C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000187886729 334334321 /nfs/dbraw/zinc/33/43/21/334334321.db2.gz UKJWCPXHFYIGNA-MRVPVSSYSA-N 0 0 311.790 3.607 10 0 DHAERN C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccc2ccccc2c1 ZINC000101626936 334337823 /nfs/dbraw/zinc/33/78/23/334337823.db2.gz YCXHLGRNOSJSPO-CQSZACIVSA-N 0 0 305.377 3.965 10 0 DHAERN COC(=O)c1ccc(CNc2nc3cc(Cl)ccc3s2)o1 ZINC000187894939 334343384 /nfs/dbraw/zinc/34/33/84/334343384.db2.gz GHWHFSSGJIFTKD-UHFFFAOYSA-N 0 0 322.773 3.941 10 0 DHAERN CCCN(C)c1ccc(C(=O)N2CCCc3c(N)cccc32)cc1 ZINC000126689242 334865243 /nfs/dbraw/zinc/86/52/43/334865243.db2.gz RNQMUQKHSIVHPR-UHFFFAOYSA-N 0 0 323.440 3.708 10 0 DHAERN C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(C(C)(C)C)cc1 ZINC000052445082 335791872 /nfs/dbraw/zinc/79/18/72/335791872.db2.gz XYMVBNKXSVEISJ-GFCCVEGCSA-N 0 0 309.417 3.834 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N(C)[C@H]2CCc3ccccc3C2)o1 ZINC000114583818 335812690 /nfs/dbraw/zinc/81/26/90/335812690.db2.gz CJYGTWUYFWSZQL-YOEHRIQHSA-N 0 0 312.413 3.848 10 0 DHAERN C[C@@H](c1ccccc1)N(C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000053961734 335848600 /nfs/dbraw/zinc/84/86/00/335848600.db2.gz DVETZAUYVBBBLQ-WMLDXEAASA-N 0 0 310.397 3.913 10 0 DHAERN O=C(c1ccc2c(c1)CCCC2)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000113895378 336035944 /nfs/dbraw/zinc/03/59/44/336035944.db2.gz WWXQXJGVDFOPPY-GOSISDBHSA-N 0 0 309.413 3.656 10 0 DHAERN C[C@H](NC(=O)CC(C)(F)F)c1cccc(Br)c1 ZINC000328380182 336053320 /nfs/dbraw/zinc/05/33/20/336053320.db2.gz VCGLWNNIZRCQKV-QMMMGPOBSA-N 0 0 306.150 3.672 10 0 DHAERN CCN(C(=O)C[C@@H]1CCCCNC1=O)c1ccc2[nH]ccc2c1 ZINC000329852219 336089360 /nfs/dbraw/zinc/08/93/60/336089360.db2.gz UNJCVUPORFFMSF-AWEZNQCLSA-N 0 0 313.401 3.668 10 0 DHAERN C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCc3ccccc32)c2ccccc2O1 ZINC000333888227 336211785 /nfs/dbraw/zinc/21/17/85/336211785.db2.gz YDHSUNWPJWHXDG-JEBQAFNWSA-N 0 0 322.408 3.885 10 0 DHAERN CC[C@@H](CC1CCCC1)C(=O)N1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000334126263 336219089 /nfs/dbraw/zinc/21/90/89/336219089.db2.gz PNZKLSIZQOZFBD-JKSUJKDBSA-N 0 0 318.465 3.773 10 0 DHAERN COC[C@H](C)C(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000103381650 336241252 /nfs/dbraw/zinc/24/12/52/336241252.db2.gz DMOWPSRNTCZNOO-GUYCJALGSA-N 0 0 317.816 3.828 10 0 DHAERN COC[C@H](C)C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000103388657 336241315 /nfs/dbraw/zinc/24/13/15/336241315.db2.gz YDYSSNHSXJTWEY-VIFPVBQESA-N 0 0 304.217 3.627 10 0 DHAERN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)N[C@@H](C)C(C)C)c1 ZINC000043066102 336244953 /nfs/dbraw/zinc/24/49/53/336244953.db2.gz PXNXWXDRMMKSPX-KGLIPLIRSA-N 0 0 319.449 3.515 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1Br)C1CC1 ZINC000043632499 336269470 /nfs/dbraw/zinc/26/94/70/336269470.db2.gz JCRSFJMOFKDBSK-ZJUUUORDSA-N 0 0 311.223 3.608 10 0 DHAERN CCCOc1ccc(CNC(=O)N[C@@H](C)c2ccc(C)o2)cc1 ZINC000043721379 336271347 /nfs/dbraw/zinc/27/13/47/336271347.db2.gz JIQAMSMSRHVKFK-AWEZNQCLSA-N 0 0 316.401 3.937 10 0 DHAERN C[C@H](NC(=O)c1cccc(C(N)=O)c1)c1ccc(C(C)(C)C)cc1 ZINC000043744650 336272382 /nfs/dbraw/zinc/27/23/82/336272382.db2.gz QVEIRIUXFMJNEI-ZDUSSCGKSA-N 0 0 324.424 3.574 10 0 DHAERN FC(F)(F)c1ccc(N[C@H]2CCN(c3ccccc3)C2)nc1 ZINC000301177138 336293427 /nfs/dbraw/zinc/29/34/27/336293427.db2.gz GJPBFGYSDMGESX-ZDUSSCGKSA-N 0 0 307.319 3.791 10 0 DHAERN C[C@H](Nc1ccc2ccccc2n1)C(=O)N1CCc2ccccc21 ZINC000301194290 336294246 /nfs/dbraw/zinc/29/42/46/336294246.db2.gz TUQBCYGTWXFTBS-AWEZNQCLSA-N 0 0 317.392 3.625 10 0 DHAERN Cc1csc(CN(C)c2ncnc3c4ccccc4oc32)n1 ZINC000301283698 336298663 /nfs/dbraw/zinc/29/86/63/336298663.db2.gz LOUZXHNWFBOJSW-UHFFFAOYSA-N 0 0 310.382 3.777 10 0 DHAERN CCc1cc2c(ncnc2N(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)s1 ZINC000301347290 336301830 /nfs/dbraw/zinc/30/18/30/336301830.db2.gz KCJWUWVMKFOJQM-MRVWCRGKSA-N 0 0 317.458 3.503 10 0 DHAERN C[C@]1(CO)CCC[C@@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000301350667 336301929 /nfs/dbraw/zinc/30/19/29/336301929.db2.gz JYHQPMISVYDPDB-XJKSGUPXSA-N 0 0 308.784 3.990 10 0 DHAERN c1ccc(-c2nsc(N[C@@H]3CCN(c4ccccc4)C3)n2)cc1 ZINC000301392298 336304138 /nfs/dbraw/zinc/30/41/38/336304138.db2.gz HXQUFHNYAXTXEI-OAHLLOKOSA-N 0 0 322.437 3.896 10 0 DHAERN c1ccc(-c2nsc(N[C@H]3CCN(c4ccccc4)C3)n2)cc1 ZINC000301392297 336304153 /nfs/dbraw/zinc/30/41/53/336304153.db2.gz HXQUFHNYAXTXEI-HNNXBMFYSA-N 0 0 322.437 3.896 10 0 DHAERN CCC[C@H]1C[C@@H]1Nc1ccc2nnc(-c3ccccc3F)n2n1 ZINC000301467019 336308549 /nfs/dbraw/zinc/30/85/49/336308549.db2.gz XWITXACYQWQLND-FZMZJTMJSA-N 0 0 311.364 3.531 10 0 DHAERN CCc1ccccc1NC(=O)CNc1ncnc2cccc(C)c21 ZINC000301499308 336310649 /nfs/dbraw/zinc/31/06/49/336310649.db2.gz WDXPSDBTILTILA-UHFFFAOYSA-N 0 0 320.396 3.551 10 0 DHAERN COc1cccc([C@H]2CCCN2c2ccc(SC)nn2)c1 ZINC000301539246 336313314 /nfs/dbraw/zinc/31/33/14/336313314.db2.gz RRRDTCZCOZPYBA-CQSZACIVSA-N 0 0 301.415 3.549 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc(C(F)(F)F)ccn2)C1 ZINC000301575168 336316062 /nfs/dbraw/zinc/31/60/62/336316062.db2.gz SISFYYQPDPJVOU-ZSMADZGOSA-N 0 0 320.380 3.592 10 0 DHAERN CC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1F ZINC000301598686 336317316 /nfs/dbraw/zinc/31/73/16/336317316.db2.gz HJXRHPNOZDOAJO-UHFFFAOYSA-N 0 0 303.186 3.772 10 0 DHAERN CO[C@@H](C)c1nc(CN(C)c2cccc(F)c2C(C)=O)cs1 ZINC000301597531 336317341 /nfs/dbraw/zinc/31/73/41/336317341.db2.gz ZWUJVNAFMKEBFS-NSHDSACASA-N 0 0 322.405 3.829 10 0 DHAERN CCOc1ccc(CNc2c(F)c(F)nc(F)c2F)cc1C ZINC000301609667 336318038 /nfs/dbraw/zinc/31/80/38/336318038.db2.gz PVGRLVWTVRZJLW-UHFFFAOYSA-N 0 0 314.282 3.957 10 0 DHAERN CCOC(=O)c1cccc(Oc2c(F)c(F)nc(F)c2F)c1 ZINC000301614821 336318401 /nfs/dbraw/zinc/31/84/01/336318401.db2.gz UUBUHHXSMOKRIZ-UHFFFAOYSA-N 0 0 315.222 3.607 10 0 DHAERN COc1cccc2c(N(C)Cc3nc(C)cs3)cc(C)nc12 ZINC000301638198 336319902 /nfs/dbraw/zinc/31/99/02/336319902.db2.gz ANHOWAMBCLMWNA-UHFFFAOYSA-N 0 0 313.426 3.953 10 0 DHAERN CSc1ccc(N[C@@H](C)c2ccccc2-n2cccn2)nn1 ZINC000301646567 336320508 /nfs/dbraw/zinc/32/05/08/336320508.db2.gz OAQCDGRUMNIVHQ-LBPRGKRZSA-N 0 0 311.414 3.557 10 0 DHAERN c1ccc2c(c1)CCC[C@@]21C[C@@H]1CNc1ccc2nccnc2n1 ZINC000301653895 336321075 /nfs/dbraw/zinc/32/10/75/336321075.db2.gz RJHMUFUFMXJNPI-QRWLVFNGSA-N 0 0 316.408 3.731 10 0 DHAERN C[C@H](Nc1ncc(Cl)cc1F)c1cn(-c2ccccc2)nn1 ZINC000301656960 336321151 /nfs/dbraw/zinc/32/11/51/336321151.db2.gz LJMIDJISZDMVOP-JTQLQIEISA-N 0 0 317.755 3.628 10 0 DHAERN CC[C@@H](CNc1ncnc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000301683086 336323239 /nfs/dbraw/zinc/32/32/39/336323239.db2.gz GTSCBRRJQUENLS-JTQLQIEISA-N 0 0 301.781 3.612 10 0 DHAERN CCC[C@H](C)[C@@H]1CCCN1c1cc(-c2nc(C)no2)ccn1 ZINC000301683111 336323248 /nfs/dbraw/zinc/32/32/48/336323248.db2.gz GUNVLXXTUREUJX-WFASDCNBSA-N 0 0 300.406 3.845 10 0 DHAERN CCC[C@@H](C)[C@@H]1CCCN1c1cc(-c2nc(C)no2)ccn1 ZINC000301683107 336323285 /nfs/dbraw/zinc/32/32/85/336323285.db2.gz GUNVLXXTUREUJX-DOMZBBRYSA-N 0 0 300.406 3.845 10 0 DHAERN CC[C@H](CNc1ncnc2nc[nH]c21)c1ccc(Cl)cc1 ZINC000301683087 336323292 /nfs/dbraw/zinc/32/32/92/336323292.db2.gz GTSCBRRJQUENLS-SNVBAGLBSA-N 0 0 301.781 3.612 10 0 DHAERN Cc1noc(-c2ccnc(NCCC3Cc4ccccc4C3)c2)n1 ZINC000301843968 336333775 /nfs/dbraw/zinc/33/37/75/336333775.db2.gz LGNVQTYDFXMSOX-UHFFFAOYSA-N 0 0 320.396 3.657 10 0 DHAERN CCc1cc2c(ncnc2NCc2nc(C)sc2C)s1 ZINC000301847883 336333852 /nfs/dbraw/zinc/33/38/52/336333852.db2.gz VEPBDPZTUGKJAJ-UHFFFAOYSA-N 0 0 304.444 3.939 10 0 DHAERN CCCc1nnc(NCCc2csc(C(C)(C)C)n2)s1 ZINC000301851975 336334087 /nfs/dbraw/zinc/33/40/87/336334087.db2.gz ASOOXNDQFSKDQZ-UHFFFAOYSA-N 0 0 310.492 3.899 10 0 DHAERN CCc1nc2sccc2c(N[C@@H]2CCCCC[C@H]2CO)n1 ZINC000301855649 336334373 /nfs/dbraw/zinc/33/43/73/336334373.db2.gz YSRUFPDXFFKOBA-WCQYABFASA-N 0 0 305.447 3.607 10 0 DHAERN Cc1ccc2ncnc(N[C@@H](C)c3ccc4c(c3)OCCO4)c2c1 ZINC000301930032 336338544 /nfs/dbraw/zinc/33/85/44/336338544.db2.gz MMEIOUPTBNUGDK-ZDUSSCGKSA-N 0 0 321.380 3.883 10 0 DHAERN C[C@H]1CCN(c2nc3cc(C(F)(F)F)ccc3s2)C[C@H]1O ZINC000301947583 336339427 /nfs/dbraw/zinc/33/94/27/336339427.db2.gz AMMFFIOFFKAVCW-GZMMTYOYSA-N 0 0 316.348 3.522 10 0 DHAERN C[C@H](CNc1cc(Cl)nc(C2CC2)n1)Nc1ccccc1 ZINC000301957637 336339868 /nfs/dbraw/zinc/33/98/68/336339868.db2.gz LHALYLCDQQCNCF-LLVKDONJSA-N 0 0 302.809 3.920 10 0 DHAERN CC(C)(CNc1ccc(C(F)(F)F)nn1)CC1CCOCC1 ZINC000301974649 336340807 /nfs/dbraw/zinc/34/08/07/336340807.db2.gz VKZUBXTTWWBLJX-UHFFFAOYSA-N 0 0 317.355 3.750 10 0 DHAERN c1ccc([C@H]2OCC[C@@H]2Nc2nnc(-c3ccccn3)s2)cc1 ZINC000302040118 336344901 /nfs/dbraw/zinc/34/49/01/336344901.db2.gz RBJYWTWZJQZWJB-DZGCQCFKSA-N 0 0 324.409 3.542 10 0 DHAERN C[C@H](Nc1nccn2c1nnc2C1CC1)c1cccc(Cl)c1 ZINC000302191680 336353179 /nfs/dbraw/zinc/35/31/79/336353179.db2.gz BPIZCXFXPJBRCG-JTQLQIEISA-N 0 0 313.792 3.828 10 0 DHAERN Cc1c([C@H](C)Nc2cncc(C)n2)cnn1-c1ccc(F)cc1 ZINC000302220729 336354663 /nfs/dbraw/zinc/35/46/63/336354663.db2.gz MEILCBZXTIHVIE-LBPRGKRZSA-N 0 0 311.364 3.591 10 0 DHAERN Cc1cnc(C)c(N[C@@H]2CCc3cc(Br)ccc32)n1 ZINC000302225262 336354972 /nfs/dbraw/zinc/35/49/72/336354972.db2.gz OQRFKAZISYHZOH-CQSZACIVSA-N 0 0 318.218 3.955 10 0 DHAERN Cc1ccccc1[C@@H](C)Nc1ccc2nnc(C(C)(C)C)n2n1 ZINC000302287893 336356771 /nfs/dbraw/zinc/35/67/71/336356771.db2.gz KLXMTYAFSDNDBD-CYBMUJFWSA-N 0 0 309.417 3.903 10 0 DHAERN CC(C)Cc1nsc(N2C[C@@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000302324052 336357221 /nfs/dbraw/zinc/35/72/21/336357221.db2.gz XIXCXTQMLCRTFV-UKRRQHHQSA-N 0 0 317.458 3.703 10 0 DHAERN CC(C)Cc1nsc(N2C[C@H](C)OC[C@@H]2c2ccccc2)n1 ZINC000302324048 336357279 /nfs/dbraw/zinc/35/72/79/336357279.db2.gz XIXCXTQMLCRTFV-DZGCQCFKSA-N 0 0 317.458 3.703 10 0 DHAERN Fc1cc(F)c2nccc(N[C@@H]3CCC[C@@H]4OCC[C@H]43)c2c1 ZINC000302530998 336360936 /nfs/dbraw/zinc/36/09/36/336360936.db2.gz QDBBHBRMCWMUFJ-PEYYIBSZSA-N 0 0 304.340 3.883 10 0 DHAERN Fc1cc(F)c2nccc(N3CCC([C@@H]4CCCO4)CC3)c2c1 ZINC000302537076 336361100 /nfs/dbraw/zinc/36/11/00/336361100.db2.gz GRRJFDASVRLDSH-KRWDZBQOSA-N 0 0 318.367 3.908 10 0 DHAERN Cc1noc(C)c1CCCNc1ccc(OC(F)(F)F)cn1 ZINC000302541579 336361176 /nfs/dbraw/zinc/36/11/76/336361176.db2.gz FXCGWJVIUQYVFO-UHFFFAOYSA-N 0 0 315.295 3.630 10 0 DHAERN COCCN(C[C@H]1CC=CCC1)c1ncnc2sc(C)cc21 ZINC000302694201 336365286 /nfs/dbraw/zinc/36/52/86/336365286.db2.gz DFESKLVUJNXMQI-AWEZNQCLSA-N 0 0 317.458 3.809 10 0 DHAERN Cc1ccc(CN(C)c2nnc(C(F)(F)F)s2)cc1F ZINC000302712206 336366091 /nfs/dbraw/zinc/36/60/91/336366091.db2.gz LBJJRSKWTUTVFK-UHFFFAOYSA-N 0 0 305.300 3.641 10 0 DHAERN CCC[C@@]1(COC)CCCN1c1nc(C(F)(F)F)cs1 ZINC000302819709 336370450 /nfs/dbraw/zinc/37/04/50/336370450.db2.gz JIXJDQOXGDQYOV-LBPRGKRZSA-N 0 0 308.369 3.947 10 0 DHAERN COC(=O)[C@H]1CC[C@@H](Nc2ccc3c(Cl)ccnc3c2F)C1 ZINC000302860653 336372190 /nfs/dbraw/zinc/37/21/90/336372190.db2.gz PCVFROAWPIZWAV-VHSXEESVSA-N 0 0 322.767 3.781 10 0 DHAERN Cc1csc(CCCNc2ncnc3c(F)cccc23)n1 ZINC000302917690 336374273 /nfs/dbraw/zinc/37/42/73/336374273.db2.gz XFTZAXZAHOHTMZ-UHFFFAOYSA-N 0 0 302.378 3.579 10 0 DHAERN O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CCCc2ccccc21 ZINC000114999491 336809438 /nfs/dbraw/zinc/80/94/38/336809438.db2.gz YBZWCFWDNKPQAL-VQTJNVASSA-N 0 0 321.420 3.884 10 0 DHAERN CCOc1ccccc1CCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116046424 336830630 /nfs/dbraw/zinc/83/06/30/336830630.db2.gz ZGIPEICQIHGZRN-MRXNPFEDSA-N 0 0 313.397 3.975 10 0 DHAERN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@@H]1c1ccco1 ZINC000116425275 336840251 /nfs/dbraw/zinc/84/02/51/336840251.db2.gz SCZQRHFNLYJJQQ-ARFHVFGLSA-N 0 0 314.360 3.821 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)O1 ZINC000120234647 336904534 /nfs/dbraw/zinc/90/45/34/336904534.db2.gz RRVJHJHXOJKVIG-SJKOYZFVSA-N 0 0 323.383 3.804 10 0 DHAERN CCc1oc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)cc1C ZINC000120527955 336914749 /nfs/dbraw/zinc/91/47/49/336914749.db2.gz NXUSNPCQQVVLGM-AWEZNQCLSA-N 0 0 323.396 3.827 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)O1 ZINC000122906203 337030337 /nfs/dbraw/zinc/03/03/37/337030337.db2.gz BWUOBRVOSKPSJP-SKDRFNHKSA-N 0 0 302.201 3.519 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000123039083 337034499 /nfs/dbraw/zinc/03/44/99/337034499.db2.gz WPYMHIBNUXRKQB-ZANVPECISA-N 0 0 302.201 3.519 10 0 DHAERN CC(C)n1cccc1C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000123168211 337038723 /nfs/dbraw/zinc/03/87/23/337038723.db2.gz WJNVPOBHNXJGLX-HNNXBMFYSA-N 0 0 322.412 3.746 10 0 DHAERN C[C@H](NC(=O)Nc1ccncn1)c1ccc(Cl)c(Cl)c1 ZINC000194039994 337081355 /nfs/dbraw/zinc/08/13/55/337081355.db2.gz CDHXYYSHJYYUPK-QMMMGPOBSA-N 0 0 311.172 3.666 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc(-c3ccc(F)cc3)no2)o1 ZINC000171234601 337086140 /nfs/dbraw/zinc/08/61/40/337086140.db2.gz ZMAWMGBXYFDQTE-LLVKDONJSA-N 0 0 301.321 3.628 10 0 DHAERN CCCn1ccc2cc(NC(=O)N[C@H](C)[C@H]3CCCO3)ccc21 ZINC000171406121 337087255 /nfs/dbraw/zinc/08/72/55/337087255.db2.gz HLYNXJJIACQTSV-CXAGYDPISA-N 0 0 315.417 3.740 10 0 DHAERN CCCn1ccc2cc(NC(=O)N[C@H](C)[C@@H]3CCCO3)ccc21 ZINC000171406113 337087271 /nfs/dbraw/zinc/08/72/71/337087271.db2.gz HLYNXJJIACQTSV-DYVFJYSZSA-N 0 0 315.417 3.740 10 0 DHAERN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H]1c1cnn(C)c1 ZINC000171506981 337087609 /nfs/dbraw/zinc/08/76/09/337087609.db2.gz GWLLXTBPLKSDAW-OAHLLOKOSA-N 0 0 318.808 3.751 10 0 DHAERN C[C@H](NC(=O)CC1=CCCCC1)c1ccc2c(c1)OCCO2 ZINC000171756696 337089029 /nfs/dbraw/zinc/08/90/29/337089029.db2.gz YDMNTAHISKYURC-ZDUSSCGKSA-N 0 0 301.386 3.526 10 0 DHAERN C/C(=C\C(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1cccc(F)c1 ZINC000172122298 337089911 /nfs/dbraw/zinc/08/99/11/337089911.db2.gz VGOUTYDRAJNGMO-JZUUQJBKSA-N 0 0 313.376 3.706 10 0 DHAERN COc1ccc([C@H](C)NC(=O)N[C@H](C)C2CCCC2)cc1OC ZINC000172181380 337090222 /nfs/dbraw/zinc/09/02/22/337090222.db2.gz YENSNTKYPBTLKM-OLZOCXBDSA-N 0 0 320.433 3.643 10 0 DHAERN Fc1cc(CN2CCC[C@@H]2c2ccco2)c2c(c1)COCO2 ZINC000172027503 337091035 /nfs/dbraw/zinc/09/10/35/337091035.db2.gz ZACNGUSEOXGJMM-OAHLLOKOSA-N 0 0 303.333 3.622 10 0 DHAERN O=C(c1cnc(-c2ccco2)s1)N1CCC[C@H]1c1ccco1 ZINC000172244066 337091521 /nfs/dbraw/zinc/09/15/21/337091521.db2.gz VREKAOZFESCBDT-NSHDSACASA-N 0 0 314.366 3.973 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cnc(-c3ccncc3)s2)o1 ZINC000172852373 337131511 /nfs/dbraw/zinc/13/15/11/337131511.db2.gz YQXZJCJVKDHJPJ-LLVKDONJSA-N 0 0 313.382 3.598 10 0 DHAERN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCc2ccc(Cl)cc2)o1 ZINC000172879902 337131689 /nfs/dbraw/zinc/13/16/89/337131689.db2.gz BXELQDUPHNHXFC-STQMWFEESA-N 0 0 320.820 3.597 10 0 DHAERN Cc1nc(C2CCCC2)sc1C(=O)N1CCS[C@@H](C)C1 ZINC000173067163 337131909 /nfs/dbraw/zinc/13/19/09/337131909.db2.gz ALYHWOIQRFVPQQ-JTQLQIEISA-N 0 0 310.488 3.687 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1cccs1 ZINC000173094762 337132103 /nfs/dbraw/zinc/13/21/03/337132103.db2.gz FWTSYMQXAJDIRB-IAQYHMDHSA-N 0 0 303.452 3.956 10 0 DHAERN Cc1ccc(-c2ocnc2C(=O)N[C@H]2COc3ccccc32)cc1 ZINC000172910189 337132317 /nfs/dbraw/zinc/13/23/17/337132317.db2.gz RYWWULFGLZOCHA-HNNXBMFYSA-N 0 0 320.348 3.514 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1cccc2ncccc21 ZINC000172963418 337132669 /nfs/dbraw/zinc/13/26/69/337132669.db2.gz IEFJRMZAPWCYMG-OAHLLOKOSA-N 0 0 320.392 3.570 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)C3=CCCCO3)C2)n1 ZINC000173257350 337133836 /nfs/dbraw/zinc/13/38/36/337133836.db2.gz IEKPGRZMMRGYFJ-ZDUSSCGKSA-N 0 0 320.458 3.667 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 ZINC000173428685 337135220 /nfs/dbraw/zinc/13/52/20/337135220.db2.gz GQCYOAHCHIQNTR-LLVKDONJSA-N 0 0 322.380 3.750 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)no1 ZINC000173437855 337135328 /nfs/dbraw/zinc/13/53/28/337135328.db2.gz KBLPXNCBHURLTJ-NKSUMMKUSA-N 0 0 311.385 3.570 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)NCc2cscn2)o1 ZINC000173489666 337135498 /nfs/dbraw/zinc/13/54/98/337135498.db2.gz UKIHULUISHSGAP-CQSZACIVSA-N 0 0 319.430 3.735 10 0 DHAERN CC(C)=CCOc1cccc(C(=O)N2CCS[C@H](C)C2)c1 ZINC000173533013 337136234 /nfs/dbraw/zinc/13/62/34/337136234.db2.gz XFDWQHIEJMCOAQ-CQSZACIVSA-N 0 0 305.443 3.609 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000173576185 337136503 /nfs/dbraw/zinc/13/65/03/337136503.db2.gz JNXCCRYJUGIBFO-HNNXBMFYSA-N 0 0 320.481 3.611 10 0 DHAERN C[C@@H]1CCC[C@H](C(=O)NC2(c3noc(C4CC4)n3)CCCC2)C1 ZINC000174993864 337143899 /nfs/dbraw/zinc/14/38/99/337143899.db2.gz UBAXIHFJBOGPMH-OCCSQVGLSA-N 0 0 317.433 3.659 10 0 DHAERN Cc1csc([C@H]2CCCN(Cc3cnc(Cl)s3)C2)n1 ZINC000175419224 337145922 /nfs/dbraw/zinc/14/59/22/337145922.db2.gz RXSIWIUDZZRONW-JTQLQIEISA-N 0 0 313.879 3.941 10 0 DHAERN Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)c(F)cc1F ZINC000175919934 337148906 /nfs/dbraw/zinc/14/89/06/337148906.db2.gz IWCKOAIUCGCTBH-OAHLLOKOSA-N 0 0 303.308 3.527 10 0 DHAERN O=C(NCc1ccsc1)N1CCCC[C@@H]1c1nccs1 ZINC000176201855 337149782 /nfs/dbraw/zinc/14/97/82/337149782.db2.gz JODODJBPUYXNRE-GFCCVEGCSA-N 0 0 307.444 3.641 10 0 DHAERN CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)c2ccc(C)o2)s1 ZINC000175979983 337149979 /nfs/dbraw/zinc/14/99/79/337149979.db2.gz LFKFATBCJIVWNZ-MWLCHTKSSA-N 0 0 308.403 3.551 10 0 DHAERN CC[C@H](SCc1nnnn1C(C)C)c1ccc(F)cc1F ZINC000176904199 337153746 /nfs/dbraw/zinc/15/37/46/337153746.db2.gz OQXGHHHITWDVPO-ZDUSSCGKSA-N 0 0 312.389 3.917 10 0 DHAERN CCCC[C@@H](CC)CC(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000177210984 337154884 /nfs/dbraw/zinc/15/48/84/337154884.db2.gz UPTMUHUYAFPBRD-SJORKVTESA-N 0 0 305.466 3.789 10 0 DHAERN C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1cc(F)c(Cl)cc1Cl ZINC000177932068 337159140 /nfs/dbraw/zinc/15/91/40/337159140.db2.gz MKUUQNAYUDHBSH-BFHDXFOESA-N 0 0 320.191 3.877 10 0 DHAERN Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000178242997 337161629 /nfs/dbraw/zinc/16/16/29/337161629.db2.gz BOSJHIGIWLRXJV-OAHLLOKOSA-N 0 0 301.773 3.902 10 0 DHAERN Cn1ncc2c1CCC[C@H]2N[C@H](c1ccccc1)c1cccnc1 ZINC000178614933 337165584 /nfs/dbraw/zinc/16/55/84/337165584.db2.gz JQXWIVVFWOXUDV-UYAOXDASSA-N 0 0 318.424 3.572 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cc(F)cc(Br)c2)o1 ZINC000220916228 337167075 /nfs/dbraw/zinc/16/70/75/337167075.db2.gz FBCLJHHWGNDTTD-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CCOc2ccccc21 ZINC000179583428 337170281 /nfs/dbraw/zinc/17/02/81/337170281.db2.gz AYVYPSUNZHMQQZ-GOSISDBHSA-N 0 0 320.392 3.741 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000180472048 337174843 /nfs/dbraw/zinc/17/48/43/337174843.db2.gz AYKCBZJGWRWYQA-IAGOWNOFSA-N 0 0 305.466 3.962 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCC[C@@H](c2nncn2CC)C1 ZINC000180520674 337176166 /nfs/dbraw/zinc/17/61/66/337176166.db2.gz BFAFDDBOUHDTLC-HZPDHXFCSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1cnc(CCN(C)C(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)s1 ZINC000180545121 337176245 /nfs/dbraw/zinc/17/62/45/337176245.db2.gz INMPSSXRGHBEMZ-OCCSQVGLSA-N 0 0 308.491 3.915 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)C1 ZINC000180640509 337176853 /nfs/dbraw/zinc/17/68/53/337176853.db2.gz ZIMZAASNIUPJDS-GHMZBOCLSA-N 0 0 317.355 3.846 10 0 DHAERN C[C@@H]1C[C@H](C(=O)N2CCSc3ccncc32)CC(C)(C)C1 ZINC000180987673 337179063 /nfs/dbraw/zinc/17/90/63/337179063.db2.gz RXUAUPCQCVMYIU-OLZOCXBDSA-N 0 0 304.459 3.983 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2cnc(C)nc2C)o1 ZINC000181090150 337179709 /nfs/dbraw/zinc/17/97/09/337179709.db2.gz AEHQHHZCXMQQKU-MRXNPFEDSA-N 0 0 313.401 3.616 10 0 DHAERN Cc1noc(C)c1CCC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181250482 337180540 /nfs/dbraw/zinc/18/05/40/337180540.db2.gz JHOSQMVFFKGUMZ-HXPMCKFVSA-N 0 0 312.413 3.582 10 0 DHAERN CO[C@@H](C)CCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181702658 337183778 /nfs/dbraw/zinc/18/37/78/337183778.db2.gz SQQFPDWDGXYAOO-LSDHHAIUSA-N 0 0 307.434 3.714 10 0 DHAERN CO[C@H](C)CCC(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000181702623 337183897 /nfs/dbraw/zinc/18/38/97/337183897.db2.gz SQQFPDWDGXYAOO-HUUCEWRRSA-N 0 0 307.434 3.714 10 0 DHAERN CCc1cc(NC(=O)N2CCC[C@H]2c2cnn(C)c2)ccc1C ZINC000181970238 337185588 /nfs/dbraw/zinc/18/55/88/337185588.db2.gz UOEKSBICRJEZCC-KRWDZBQOSA-N 0 0 312.417 3.660 10 0 DHAERN Cc1nn(C(C)(C)C)cc1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000182441789 337186327 /nfs/dbraw/zinc/18/63/27/337186327.db2.gz HAIWMOKRRPXSFL-CQSZACIVSA-N 0 0 301.390 3.517 10 0 DHAERN O=C(Nc1c(F)cc(Cl)cc1F)N[C@@H]1COc2ccccc21 ZINC000182808451 337188259 /nfs/dbraw/zinc/18/82/59/337188259.db2.gz SJFWCFORKNFCLH-GFCCVEGCSA-N 0 0 324.714 3.873 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1ncc(C(C)C)s1 ZINC000183060683 337191186 /nfs/dbraw/zinc/19/11/86/337191186.db2.gz JBWJOHRUBFYPQR-CQSZACIVSA-N 0 0 318.490 3.954 10 0 DHAERN CCC[C@@H](NC(=O)CN[C@@H](C)c1ccc(C)o1)c1ccccc1 ZINC000183091564 337191306 /nfs/dbraw/zinc/19/13/06/337191306.db2.gz ZZZDLUJVXLDUJT-DOTOQJQBSA-N 0 0 314.429 3.896 10 0 DHAERN O=C(c1scnc1C1CCCC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000184066341 337195885 /nfs/dbraw/zinc/19/58/85/337195885.db2.gz YZUIPNBGISDQSR-UONOGXRCSA-N 0 0 320.458 3.584 10 0 DHAERN C[C@@H](NC(=O)Nc1ccncc1F)c1ccc(F)cc1Cl ZINC000184206474 337196820 /nfs/dbraw/zinc/19/68/20/337196820.db2.gz ITVIUFMKJNNIQQ-MRVPVSSYSA-N 0 0 311.719 3.896 10 0 DHAERN C[C@H](CN(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1)c1nccs1 ZINC000184897198 337200791 /nfs/dbraw/zinc/20/07/91/337200791.db2.gz VRGMEZKBZSHESE-YUELXQCFSA-N 0 0 306.475 3.921 10 0 DHAERN COCCC(C)(C)CNC(=O)N1CCCC[C@H]1c1ccc(C)o1 ZINC000185154679 337202376 /nfs/dbraw/zinc/20/23/76/337202376.db2.gz QXRGOPBMQQSEAM-HNNXBMFYSA-N 0 0 322.449 3.887 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H]1CCC[C@@H]1C ZINC000185947058 337251803 /nfs/dbraw/zinc/25/18/03/337251803.db2.gz FKXOTNGOINFDDC-MAZHCROVSA-N 0 0 303.450 3.527 10 0 DHAERN Cc1oc2ccccc2c1C(=O)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000185880244 337252356 /nfs/dbraw/zinc/25/23/56/337252356.db2.gz JQBHVMIWEVHSCB-IFXJQAMLSA-N 0 0 313.397 3.508 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@]3(C)C(C)C)C2)n1 ZINC000186553086 337257508 /nfs/dbraw/zinc/25/75/08/337257508.db2.gz FFMBGKXXYRQJOA-KEYYUXOJSA-N 0 0 306.475 3.840 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N2Cc3ccccc3C3(CC3)C2)o1 ZINC000187466638 337266170 /nfs/dbraw/zinc/26/61/70/337266170.db2.gz KKWOCEJCURCKLF-CQSZACIVSA-N 0 0 310.397 3.906 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000187868035 337268437 /nfs/dbraw/zinc/26/84/37/337268437.db2.gz LEYUVBZYWGSLMB-SCLBCKFNSA-N 0 0 301.430 3.740 10 0 DHAERN CC(=O)CC(C)(C)CC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000187836862 337268441 /nfs/dbraw/zinc/26/84/41/337268441.db2.gz YGJWSOWKBMMRLK-INIZCTEOSA-N 0 0 305.393 3.715 10 0 DHAERN Fc1ccc([C@@H](N[C@H]2CCOc3ccccc32)c2ncc[nH]2)cc1 ZINC000187697764 337269213 /nfs/dbraw/zinc/26/92/13/337269213.db2.gz QRPFHXKZSLOVJL-FUHWJXTLSA-N 0 0 323.371 3.752 10 0 DHAERN CCC[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccsc1 ZINC000187739001 337269684 /nfs/dbraw/zinc/26/96/84/337269684.db2.gz XCFADBHWMRSOBT-GXTWGEPZSA-N 0 0 304.463 3.868 10 0 DHAERN CCCn1ccc2ccc(NC(=O)[C@H]3CCCO[C@H]3C)cc21 ZINC000188592103 337272791 /nfs/dbraw/zinc/27/27/91/337272791.db2.gz YRNMAAXOYHGTSB-BBRMVZONSA-N 0 0 300.402 3.805 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000188996503 337276348 /nfs/dbraw/zinc/27/63/48/337276348.db2.gz MPTZXHXVNHXCKV-CRAIPNDOSA-N 0 0 324.424 3.620 10 0 DHAERN Cc1cnc([C@@H](C)NCc2cccc(F)c2Br)o1 ZINC000231742293 337278077 /nfs/dbraw/zinc/27/80/77/337278077.db2.gz IWQWBPMXFHWGJZ-SECBINFHSA-N 0 0 313.170 3.735 10 0 DHAERN O=C(NCC1(C2CC2)CCC1)N[C@H]1CCCc2c(O)cccc21 ZINC000189647762 337281116 /nfs/dbraw/zinc/28/11/16/337281116.db2.gz NKMAXYNHGVYOMG-INIZCTEOSA-N 0 0 314.429 3.649 10 0 DHAERN Cc1cc(NC(=O)[C@@H]2CCCO[C@H]2C)ccc1Br ZINC000190367982 337287012 /nfs/dbraw/zinc/28/70/12/337287012.db2.gz IFSJDCPJVVFBTP-CMPLNLGQSA-N 0 0 312.207 3.511 10 0 DHAERN CCSc1ccc([C@H](C)NC(=O)[C@@H]2CCCO[C@@H]2C)cc1 ZINC000191253136 337295194 /nfs/dbraw/zinc/29/51/94/337295194.db2.gz KCZVCPFMZDSXQY-WOSRLPQWSA-N 0 0 307.459 3.791 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2cc(-n3cccn3)ccc2C)o1 ZINC000191302200 337295710 /nfs/dbraw/zinc/29/57/10/337295710.db2.gz AWHPUCNDBHBDIY-CQSZACIVSA-N 0 0 324.384 3.965 10 0 DHAERN CCc1oc2ccccc2c1CN(C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000191407328 337296795 /nfs/dbraw/zinc/29/67/95/337296795.db2.gz LZTCMLPONKYPJY-UONOGXRCSA-N 0 0 315.413 3.769 10 0 DHAERN COc1ccc(Cl)c(CN2CCC[C@@H](n3cc(C)cn3)C2)c1 ZINC000192009847 337302052 /nfs/dbraw/zinc/30/20/52/337302052.db2.gz ZBXILYDRLGLUOR-OAHLLOKOSA-N 0 0 319.836 3.691 10 0 DHAERN Cc1ccc(N2C(=O)N[C@@H](c3ccc(Cl)cc3)C2=O)s1 ZINC000192414043 337305208 /nfs/dbraw/zinc/30/52/08/337305208.db2.gz LHCPVVUDMRTFQN-LBPRGKRZSA-N 0 0 306.774 3.507 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2c2ncnc3onc(C)c32)o1 ZINC000192464292 337305419 /nfs/dbraw/zinc/30/54/19/337305419.db2.gz PYLJLOZQANQPRG-ZDUSSCGKSA-N 0 0 312.373 3.813 10 0 DHAERN CCCC[C@H](Sc1nc(Cl)cc(Cl)n1)C(=O)OCC ZINC000584603067 337371187 /nfs/dbraw/zinc/37/11/87/337371187.db2.gz KMGOVYZCDLOKGT-QMMMGPOBSA-N 0 0 323.245 3.997 10 0 DHAERN C[C@H](c1ccccn1)n1ccc2ncc(Br)cc21 ZINC000584620258 337372134 /nfs/dbraw/zinc/37/21/34/337372134.db2.gz WNQDPKKKUUYPCS-SNVBAGLBSA-N 0 0 302.175 3.803 10 0 DHAERN CC(=O)O/C(=C\Br)c1ccc(Br)cc1 ZINC000584611281 337372136 /nfs/dbraw/zinc/37/21/36/337372136.db2.gz ZUJLCYXCEOUKEV-POHAHGRESA-N 0 0 319.980 3.706 10 0 DHAERN CCOC(=O)C[C@H](O)Cc1ccc(-c2ccc(Cl)cc2)cc1 ZINC000584611837 337372339 /nfs/dbraw/zinc/37/23/39/337372339.db2.gz MFYROUQSAJJJMF-QGZVFWFLSA-N 0 0 318.800 3.864 10 0 DHAERN COc1ccc2c(c1)CCN(c1ccc(C(F)(F)F)cc1)C2=O ZINC000584613058 337372588 /nfs/dbraw/zinc/37/25/88/337372588.db2.gz TYUZFSRXWVMHLH-UHFFFAOYSA-N 0 0 321.298 3.917 10 0 DHAERN CCCC[C@H](CC)NC(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC000584613167 337372596 /nfs/dbraw/zinc/37/25/96/337372596.db2.gz JOLVWFPZHAFCRZ-ZDUSSCGKSA-N 0 0 313.401 3.548 10 0 DHAERN Cc1ccc(N)cc1-c1cc(C2CCOCC2)c(Cl)nn1 ZINC000584592540 337373528 /nfs/dbraw/zinc/37/35/28/337373528.db2.gz KGWKLXSMSSZGKE-UHFFFAOYSA-N 0 0 303.793 3.582 10 0 DHAERN CCOc1cc2c(c3ccccc13)O[C@H]1CCCC[C@@]1(O)O2 ZINC000584596795 337374337 /nfs/dbraw/zinc/37/43/37/337374337.db2.gz FCDIQTPCNROHJK-FUHWJXTLSA-N 0 0 300.354 3.641 10 0 DHAERN CN(C)c1ccc([C@@H](O)C2(c3ccccc3)CCOCC2)cc1 ZINC000584625698 337375601 /nfs/dbraw/zinc/37/56/01/337375601.db2.gz PDMCNCLEBAQQCY-LJQANCHMSA-N 0 0 311.425 3.534 10 0 DHAERN COc1ccccc1[C@H](O)[C@H](c1ccccc1)c1ccccn1 ZINC000584629659 337376608 /nfs/dbraw/zinc/37/66/08/337376608.db2.gz NPIGANGUIZQIKO-UXHICEINSA-N 0 0 305.377 3.956 10 0 DHAERN CC(C)c1ccncc1-c1nnn(Cc2cccc(Cl)c2)n1 ZINC000584662176 337378434 /nfs/dbraw/zinc/37/84/34/337378434.db2.gz RFJZALZLXMUSJD-UHFFFAOYSA-N 0 0 313.792 3.560 10 0 DHAERN CC(C)c1ccncc1-c1nnn(Cc2ccc(Cl)cc2)n1 ZINC000584662224 337378466 /nfs/dbraw/zinc/37/84/66/337378466.db2.gz SMKFBXSVCHFLCZ-UHFFFAOYSA-N 0 0 313.792 3.560 10 0 DHAERN Cc1nc2sc(C34CC5CC(CC(C5)C3)C4)nc2c(=O)[nH]1 ZINC000584648226 337380431 /nfs/dbraw/zinc/38/04/31/337380431.db2.gz XIRWLXOYLARXKZ-UHFFFAOYSA-N 0 0 301.415 3.568 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cccc(C)c1C ZINC000105846749 337386802 /nfs/dbraw/zinc/38/68/02/337386802.db2.gz DNCWZLFOYSEXBW-QGZVFWFLSA-N 0 0 311.429 3.631 10 0 DHAERN O=C(c1ccc2ccccc2c1)N1CCO[C@@H](c2nccs2)C1 ZINC000110880792 337389248 /nfs/dbraw/zinc/38/92/48/337389248.db2.gz SDIBUVSVWYSVNR-MRXNPFEDSA-N 0 0 324.405 3.510 10 0 DHAERN C[C@H](NCc1noc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000112537275 337390568 /nfs/dbraw/zinc/39/05/68/337390568.db2.gz QYZRKCULQDMDJM-VIFPVBQESA-N 0 0 321.352 3.927 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000114511257 337391583 /nfs/dbraw/zinc/39/15/83/337391583.db2.gz MWYVWQCSLKZNEF-OAHLLOKOSA-N 0 0 316.380 3.545 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C=C1CCC(C)CC1 ZINC000114688411 337391739 /nfs/dbraw/zinc/39/17/39/337391739.db2.gz GBBLQLVWIWNBEJ-LRHAYUFXSA-N 0 0 315.461 3.837 10 0 DHAERN Cc1cnn(-c2ccc(C(=O)N3CCC[C@H]3c3ccco3)cc2)c1 ZINC000116047415 337392229 /nfs/dbraw/zinc/39/22/29/337392229.db2.gz JOQDHCSWGFHKMH-KRWDZBQOSA-N 0 0 321.380 3.751 10 0 DHAERN O=C(CCCOc1cccc(F)c1)N1CCC[C@H]1c1ccco1 ZINC000116041548 337392280 /nfs/dbraw/zinc/39/22/80/337392280.db2.gz ZMTIVKMWCOUGGM-INIZCTEOSA-N 0 0 317.360 3.941 10 0 DHAERN Cc1c(C(=O)N2CCC[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000116048959 337392420 /nfs/dbraw/zinc/39/24/20/337392420.db2.gz HSGYUMUJCMLVGB-QGZVFWFLSA-N 0 0 321.380 3.751 10 0 DHAERN COc1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)c(C)c1 ZINC000116496681 337392826 /nfs/dbraw/zinc/39/28/26/337392826.db2.gz IYQGVPBCVSMUML-OAHLLOKOSA-N 0 0 300.358 3.966 10 0 DHAERN COc1ccc(NC(=O)N2CCC[C@H]2c2ccco2)c(C)c1 ZINC000116496684 337392827 /nfs/dbraw/zinc/39/28/27/337392827.db2.gz IYQGVPBCVSMUML-HNNXBMFYSA-N 0 0 300.358 3.966 10 0 DHAERN O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cccs1 ZINC000041535938 337402913 /nfs/dbraw/zinc/40/29/13/337402913.db2.gz HMLAZVFEXLHEAS-MRXNPFEDSA-N 0 0 312.369 3.802 10 0 DHAERN CN(CCCc1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000043164627 337409952 /nfs/dbraw/zinc/40/99/52/337409952.db2.gz SAWHKAKHNKIRQZ-GOSISDBHSA-N 0 0 324.424 3.784 10 0 DHAERN C[C@@H]1C[C@H](CC(=O)N2CCC(c3cc[nH]n3)CC2)CC(C)(C)C1 ZINC000125416666 337411654 /nfs/dbraw/zinc/41/16/54/337411654.db2.gz VTMWCFNPBRSGFH-HUUCEWRRSA-N 0 0 317.477 3.968 10 0 DHAERN C[C@H]1CC[C@H](C(=O)Nc2cc(Cl)ccc2Br)O1 ZINC000126773086 337417725 /nfs/dbraw/zinc/41/77/25/337417725.db2.gz NIFFHODVPFALAU-WRWORJQWSA-N 0 0 318.598 3.609 10 0 DHAERN Cc1ocnc1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130037123 337431685 /nfs/dbraw/zinc/43/16/85/337431685.db2.gz KFGWSZWUOWYHDO-AWEZNQCLSA-N 0 0 312.369 3.549 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1 ZINC000048068515 337432390 /nfs/dbraw/zinc/43/23/90/337432390.db2.gz ZTVHUUMTOUHPLR-WCFLWFBJSA-N 0 0 315.339 3.563 10 0 DHAERN C[C@@H](N[C@@H](C)c1nnc2n1CCCC2)c1ccc(F)cc1Cl ZINC000130890172 337434898 /nfs/dbraw/zinc/43/48/98/337434898.db2.gz ILVBZMDTZDNYDY-MNOVXSKESA-N 0 0 322.815 3.819 10 0 DHAERN CC[C@H](N[C@@H](C)c1nnc2n1CCCC2)c1cc(F)ccc1F ZINC000130892099 337434948 /nfs/dbraw/zinc/43/49/48/337434948.db2.gz XXFKVMFKIINOHR-NHYWBVRUSA-N 0 0 320.387 3.695 10 0 DHAERN C[C@H](N[C@@H](C)c1ccc2c(c1)CCCC2)c1nnc2n1CCCC2 ZINC000131096292 337436227 /nfs/dbraw/zinc/43/62/27/337436227.db2.gz PAUXWIDNTLIBGA-GJZGRUSLSA-N 0 0 324.472 3.905 10 0 DHAERN Cc1cc(C)c([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1C ZINC000131142751 337436496 /nfs/dbraw/zinc/43/64/96/337436496.db2.gz UJRDPLIZJCWELC-HZPDHXFCSA-N 0 0 312.461 3.951 10 0 DHAERN O=C(Nc1cccc(OC(F)F)c1)N[C@H]1COc2ccccc21 ZINC000058623002 337458579 /nfs/dbraw/zinc/45/85/79/337458579.db2.gz NLNLZURPAOPUNU-ZDUSSCGKSA-N 0 0 320.295 3.543 10 0 DHAERN CC(C)n1nnnc1CN([C@@H](C)c1ccccc1Cl)C1CC1 ZINC000195087095 337465081 /nfs/dbraw/zinc/46/50/81/337465081.db2.gz YEBHNIXENAPPJA-LBPRGKRZSA-N 0 0 319.840 3.633 10 0 DHAERN CC(C)(C)c1nc(CN2CCCC[C@H]2c2nccs2)no1 ZINC000195359880 337466108 /nfs/dbraw/zinc/46/61/08/337466108.db2.gz CVGJJFGXDSSNDZ-NSHDSACASA-N 0 0 306.435 3.551 10 0 DHAERN Cc1c(Cl)cccc1C(=O)N[C@@H]1CCOc2ccccc21 ZINC000195310123 337467618 /nfs/dbraw/zinc/46/76/18/337467618.db2.gz KRFGEZLDEINIRZ-OAHLLOKOSA-N 0 0 301.773 3.902 10 0 DHAERN CCn1ccnc1CSc1ncnc2sc(C)c(C)c21 ZINC000195516870 337468067 /nfs/dbraw/zinc/46/80/67/337468067.db2.gz YXCDMQJNHPXPAT-UHFFFAOYSA-N 0 0 304.444 3.817 10 0 DHAERN O=C(c1cc2ccccc2s1)N1CC[C@H](Oc2ccccn2)C1 ZINC000238852338 337470711 /nfs/dbraw/zinc/47/07/11/337470711.db2.gz JOXNSLKQFFQTLT-AWEZNQCLSA-N 0 0 324.405 3.590 10 0 DHAERN C[C@@H]1CC[C@@H](C(=O)N[C@H](CC(F)(F)F)c2ccc(F)cc2)O1 ZINC000245537866 337474264 /nfs/dbraw/zinc/47/42/64/337474264.db2.gz JHEMOMAHEAAJSH-WQAKAFBOSA-N 0 0 319.298 3.503 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)O1 ZINC000245953792 337499742 /nfs/dbraw/zinc/49/97/42/337499742.db2.gz BPXLOQDACQDCPM-JEBQAFNWSA-N 0 0 312.413 3.789 10 0 DHAERN CC[C@H](CC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000247178812 337558267 /nfs/dbraw/zinc/55/82/67/337558267.db2.gz ZBRWDAROWHAATF-IMFGXOCKSA-N 0 0 315.457 3.724 10 0 DHAERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000247231722 337558541 /nfs/dbraw/zinc/55/85/41/337558541.db2.gz XBEJFMVMTIWIGQ-JSSFPYSZSA-N 0 0 311.425 3.985 10 0 DHAERN CC1(C)CCCC[C@@H]1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248685888 337566639 /nfs/dbraw/zinc/56/66/39/337566639.db2.gz UGTNQODDPKYCLB-ARFHVFGLSA-N 0 0 319.445 3.911 10 0 DHAERN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H]2CCCO[C@@H]2C)o1 ZINC000249648750 337570952 /nfs/dbraw/zinc/57/09/52/337570952.db2.gz TVDONIMDFLTRRS-OJLVUWQFSA-N 0 0 305.418 3.703 10 0 DHAERN CC[C@H]1CC[C@H](C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000249945510 337572673 /nfs/dbraw/zinc/57/26/73/337572673.db2.gz UKOKVQPTLXMARK-ULQDDVLXSA-N 0 0 317.477 3.917 10 0 DHAERN CC[C@H](NC(=O)N1CCS[C@@H](C)C1)c1cc(F)ccc1F ZINC000077873693 337585718 /nfs/dbraw/zinc/58/57/18/337585718.db2.gz GUJBJYLSGATDHU-HZMBPMFUSA-N 0 0 314.401 3.563 10 0 DHAERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3ccc(C)nc3C)C2)cc1 ZINC000078188253 337592290 /nfs/dbraw/zinc/59/22/90/337592290.db2.gz MSRLRSBZOIABDP-PBHICJAKSA-N 0 0 324.424 3.725 10 0 DHAERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccs3)C2)cc1 ZINC000078187887 337592339 /nfs/dbraw/zinc/59/23/39/337592339.db2.gz MDPOQSJIKCTJKL-JSGCOSHPSA-N 0 0 301.411 3.775 10 0 DHAERN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCO[C@H]2C)o1 ZINC000253351464 337600544 /nfs/dbraw/zinc/60/05/44/337600544.db2.gz KGPYIQCKNDVSFI-XHSDSOJGSA-N 0 0 305.418 3.847 10 0 DHAERN CC(C)C[C@@H](C[NH2+]CCCCCOc1ccccc1)C(=O)[O-] ZINC000263079104 337624097 /nfs/dbraw/zinc/62/40/97/337624097.db2.gz RFZDZGVOKAEZJZ-INIZCTEOSA-N 0 0 307.434 3.572 10 0 DHAERN O=C([O-])C1CCC([NH2+]CCc2cccc(Cl)c2Cl)CC1 ZINC000263504599 337630717 /nfs/dbraw/zinc/63/07/17/337630717.db2.gz WQOCDUICAYKJDB-UHFFFAOYSA-N 0 0 316.228 3.769 10 0 DHAERN COC(=O)Cc1ccccc1NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000080060330 337649587 /nfs/dbraw/zinc/64/95/87/337649587.db2.gz ZCZQICFEERMWFH-CVEARBPZSA-N 0 0 315.413 3.557 10 0 DHAERN Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)c(F)c1 ZINC000080753864 337682501 /nfs/dbraw/zinc/68/25/01/337682501.db2.gz BJSOQXGLRCQLJF-JKSUJKDBSA-N 0 0 316.380 3.636 10 0 DHAERN CCCc1ccccc1NC(=O)[C@H](NC(=O)CC(C)C)C(C)C ZINC000055306025 337846830 /nfs/dbraw/zinc/84/68/30/337846830.db2.gz FTBABJCWLUDJPR-GOSISDBHSA-N 0 0 318.461 3.765 10 0 DHAERN C[C@]1(C(=O)N2CCc3c4ccccc4[nH]c3C2)CC1(Cl)Cl ZINC000089364288 337868563 /nfs/dbraw/zinc/86/85/63/337868563.db2.gz IMZGYIWOZSLMSY-OAHLLOKOSA-N 0 0 323.223 3.637 10 0 DHAERN O=C(N[C@@H]1CCc2cc(Cl)ccc21)N1CCC2(CCC2)C1 ZINC000120039973 337869774 /nfs/dbraw/zinc/86/97/74/337869774.db2.gz VYHRSDZEHJQLHY-OAHLLOKOSA-N 0 0 304.821 3.913 10 0 DHAERN O=C(CSc1ccc(Cl)cc1)N[C@@H]1COc2ccccc21 ZINC000058729152 337878873 /nfs/dbraw/zinc/87/88/73/337878873.db2.gz XAFLJZWKWBJXGF-CQSZACIVSA-N 0 0 319.813 3.682 10 0 DHAERN CCn1c(C)nnc1CSCCCOc1cc(C)cc(C)c1 ZINC000091027697 337888443 /nfs/dbraw/zinc/88/84/43/337888443.db2.gz BSEGJSHAQPNCDM-UHFFFAOYSA-N 0 0 319.474 3.926 10 0 DHAERN Cc1cccc([C@H]2CCCN2C(=O)C[C@H](O)c2ccccc2)c1 ZINC000091171601 337890194 /nfs/dbraw/zinc/89/01/94/337890194.db2.gz FYJADUXDKYEPJF-MOPGFXCFSA-N 0 0 309.409 3.782 10 0 DHAERN CCCC(=O)N[C@H]1CCCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000121549618 337895343 /nfs/dbraw/zinc/89/53/43/337895343.db2.gz AUYQXEWKCDSONR-INIZCTEOSA-N 0 0 322.493 3.500 10 0 DHAERN C[C@@H](NC(=O)NCCC1=CCCC1)c1cccc(-n2ccnc2)c1 ZINC000121733838 337898577 /nfs/dbraw/zinc/89/85/77/337898577.db2.gz FZKSGZLNGJOHGN-OAHLLOKOSA-N 0 0 324.428 3.733 10 0 DHAERN Cc1c(C(=O)N[C@@H](C)c2cccc(Cl)c2)cnn1C(C)C ZINC000092214627 337901509 /nfs/dbraw/zinc/90/15/09/337901509.db2.gz KNHRVJUZUYFAMN-NSHDSACASA-N 0 0 305.809 3.917 10 0 DHAERN COCCC1(CNC(=O)N[C@@H](C)c2ccccc2C)CCCC1 ZINC000121934789 337902416 /nfs/dbraw/zinc/90/24/16/337902416.db2.gz VRGZRWPRTZOORD-INIZCTEOSA-N 0 0 318.461 3.952 10 0 DHAERN Cc1cc(C(=O)N[C@@H](C)c2c(Cl)ccc(F)c2Cl)no1 ZINC000097699214 337951988 /nfs/dbraw/zinc/95/19/88/337951988.db2.gz BGFDQXSWCVRSME-ZETCQYMHSA-N 0 0 317.147 3.920 10 0 DHAERN C[C@H](C(=O)NC[C@@H]1CCCC[C@@H]1O)c1ccc2ccccc2c1 ZINC000084606370 338004449 /nfs/dbraw/zinc/00/44/49/338004449.db2.gz VAHXDJOJYJVVLL-JVPBZIDWSA-N 0 0 311.425 3.611 10 0 DHAERN CC[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2O1 ZINC000172688034 340336675 /nfs/dbraw/zinc/33/66/75/340336675.db2.gz ZWVIBHRWNLHIKF-OAHLLOKOSA-N 0 0 306.365 3.986 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)c1ccc(Cl)s1 ZINC000172959473 340350017 /nfs/dbraw/zinc/35/00/17/340350017.db2.gz IOUYZYDQMUFQJT-LLVKDONJSA-N 0 0 309.818 3.737 10 0 DHAERN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC[C@H]1C ZINC000173153544 340359175 /nfs/dbraw/zinc/35/91/75/340359175.db2.gz AJBFJILWTLGFIY-NXEZZACHSA-N 0 0 302.201 3.772 10 0 DHAERN C[C@@H](NC(=O)N[C@@H](C)c1nc(C(C)(C)C)no1)c1cccs1 ZINC000173424719 340364760 /nfs/dbraw/zinc/36/47/60/340364760.db2.gz JWTSDBMOBFGRNF-ZJUUUORDSA-N 0 0 322.434 3.550 10 0 DHAERN CCc1ccc([C@@H](COC)NC(=O)N[C@@H](C)c2cccs2)o1 ZINC000173509198 340366428 /nfs/dbraw/zinc/36/64/28/340366428.db2.gz RXIYMWQWQAIEOB-WCQYABFASA-N 0 0 322.430 3.651 10 0 DHAERN C[C@H](COCc1ccccc1)NC(=O)Nc1c(F)cccc1F ZINC000174372351 340386975 /nfs/dbraw/zinc/38/69/75/340386975.db2.gz JVKYOTSMJNCDAA-GFCCVEGCSA-N 0 0 320.339 3.692 10 0 DHAERN Cc1ccc(F)c(NC(=O)N[C@@H](C)COCc2ccccc2)c1 ZINC000174482243 340389435 /nfs/dbraw/zinc/38/94/35/340389435.db2.gz SWWHKHZEWVMNIM-AWEZNQCLSA-N 0 0 316.376 3.861 10 0 DHAERN CC(C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000174601240 340392694 /nfs/dbraw/zinc/39/26/94/340392694.db2.gz MDMHHNJHJNMPGO-CFVMTHIKSA-N 0 0 307.384 3.963 10 0 DHAERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2nc(C3CCCC3)no2)C1 ZINC000174826927 340396933 /nfs/dbraw/zinc/39/69/33/340396933.db2.gz OQEVCLBJISMXHS-STQMWFEESA-N 0 0 321.421 3.888 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@@H](C)Oc2ccc(F)cc2)o1 ZINC000175335381 340409530 /nfs/dbraw/zinc/40/95/30/340409530.db2.gz JCPUCLJEXRJMPA-CHWSQXEVSA-N 0 0 320.364 3.555 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CC[C@H](Cc3ccccc3)C2)o1 ZINC000175342308 340409709 /nfs/dbraw/zinc/40/97/09/340409709.db2.gz PEIDFFGJQXEGKF-DOTOQJQBSA-N 0 0 312.413 3.923 10 0 DHAERN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1cc2ccccc2s1 ZINC000175724448 340418126 /nfs/dbraw/zinc/41/81/26/340418126.db2.gz HIWSHZCOYWUHIG-NSHDSACASA-N 0 0 319.426 3.704 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N[C@H](C)C2CCOCC2)cc1 ZINC000177908487 340445569 /nfs/dbraw/zinc/44/55/69/340445569.db2.gz FEOLFBBRDZWFQE-LSDHHAIUSA-N 0 0 318.461 3.985 10 0 DHAERN CCOC[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)s1)C(C)C ZINC000190076328 340542611 /nfs/dbraw/zinc/54/26/11/340542611.db2.gz NZONDNNDZXNPEK-GHMZBOCLSA-N 0 0 318.870 3.823 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 ZINC000190105967 340542829 /nfs/dbraw/zinc/54/28/29/340542829.db2.gz CNNCQSHQJCIIQF-KBXCAEBGSA-N 0 0 315.457 3.684 10 0 DHAERN C[C@@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(Cl)s1 ZINC000192293483 340565862 /nfs/dbraw/zinc/56/58/62/340565862.db2.gz VOAOCHFJWLVXPN-NXEZZACHSA-N 0 0 318.895 3.857 10 0 DHAERN O=C1N[C@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000192401539 340566853 /nfs/dbraw/zinc/56/68/53/340566853.db2.gz BFRGLKLOPVESAF-CYBMUJFWSA-N 0 0 321.163 3.791 10 0 DHAERN O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 ZINC000192401542 340566921 /nfs/dbraw/zinc/56/69/21/340566921.db2.gz BFRGLKLOPVESAF-ZDUSSCGKSA-N 0 0 321.163 3.791 10 0 DHAERN Cc1nc2ccc(NC(=O)N[C@H]3CCOc4ccccc43)cc2o1 ZINC000192937384 340570787 /nfs/dbraw/zinc/57/07/87/340570787.db2.gz PJLIBDIHOQUSRK-AWEZNQCLSA-N 0 0 323.352 3.782 10 0 DHAERN Cc1cc(COCC(=O)N[C@H](C)c2ccc(C(C)C)cc2)on1 ZINC000193268025 340575358 /nfs/dbraw/zinc/57/53/58/340575358.db2.gz WBLBCIIGAJJEIJ-CQSZACIVSA-N 0 0 316.401 3.500 10 0 DHAERN C[C@H](NC(=O)N[C@H]1COc2ccccc21)c1ccc(Cl)cc1 ZINC000194705826 340595050 /nfs/dbraw/zinc/59/50/50/340595050.db2.gz WMXVXRFLIMSIBZ-NHYWBVRUSA-N 0 0 316.788 3.834 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 ZINC000194780538 340595997 /nfs/dbraw/zinc/59/59/97/340595997.db2.gz AVHHWWLWDOOHLA-OCBCSQNSSA-N 0 0 313.372 3.610 10 0 DHAERN O=C(N[C@@H]1CCOc2ccccc21)c1ccccc1OCC1CC1 ZINC000194787041 340596100 /nfs/dbraw/zinc/59/61/00/340596100.db2.gz CJUGMYXCRIGBBF-QGZVFWFLSA-N 0 0 323.392 3.729 10 0 DHAERN Cc1c2cccc(C)c2oc1C(=O)N[C@H]1COc2ccccc21 ZINC000194891011 340596936 /nfs/dbraw/zinc/59/69/36/340596936.db2.gz BCVVCHXXWQIFJO-HNNXBMFYSA-N 0 0 307.349 3.913 10 0 DHAERN CCS[C@H]1CC[C@H](Nc2ccccc2S(=O)(=O)CC)C1 ZINC000228022858 340605861 /nfs/dbraw/zinc/60/58/61/340605861.db2.gz ZKLNUPGSPGXSPH-STQMWFEESA-N 0 0 313.488 3.566 10 0 DHAERN C[C@@H]1[C@H](C)SCCN1c1ncc(Br)cc1Cl ZINC000235389251 340659188 /nfs/dbraw/zinc/65/91/88/340659188.db2.gz FWLIMBHYMFUSNN-SFYZADRCSA-N 0 0 321.671 3.828 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)c2ccc3cc[nH]c3c2)cc1OC ZINC000043030286 340709853 /nfs/dbraw/zinc/70/98/53/340709853.db2.gz XXQRVTBHZHMBNH-GFCCVEGCSA-N 0 0 324.380 3.676 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000060887004 340710457 /nfs/dbraw/zinc/71/04/57/340710457.db2.gz HMGOCNUWMQICQV-HNNXBMFYSA-N 0 0 324.424 3.682 10 0 DHAERN COc1ccccc1CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000243403167 340713074 /nfs/dbraw/zinc/71/30/74/340713074.db2.gz MOFWJEBUDOISFA-OAHLLOKOSA-N 0 0 323.436 3.994 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CCc1ccccn1 ZINC000123343129 340747007 /nfs/dbraw/zinc/74/70/07/340747007.db2.gz GENLQTNZBRJEJJ-IBGZPJMESA-N 0 0 308.425 3.844 10 0 DHAERN C[C@@H](NC(=O)c1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000125152555 340802589 /nfs/dbraw/zinc/80/25/89/340802589.db2.gz ASBGOQVCSFQIEQ-PRHODGIISA-N 0 0 321.726 3.656 10 0 DHAERN CCCc1c(C(=O)Nc2ccccc2OC)[nH]c(C)c1C(C)=O ZINC000126420727 340826943 /nfs/dbraw/zinc/82/69/43/340826943.db2.gz JWFZXHSPJZZPPG-UHFFFAOYSA-N 0 0 314.385 3.739 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)C[C@@H]3CCCCC3(C)C)C2)c1 ZINC000126777968 340833407 /nfs/dbraw/zinc/83/34/07/340833407.db2.gz ICLHUKJYFSWOJB-DLBZAZTESA-N 0 0 317.477 3.962 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@H]2C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000126830077 340837613 /nfs/dbraw/zinc/83/76/13/340837613.db2.gz DTQONLUOBFHTJN-TWKYDXJASA-N 0 0 315.457 3.986 10 0 DHAERN CCc1nc(C2(NC/C=C/c3ccc(F)cc3)CCCC2)no1 ZINC000127487797 340851765 /nfs/dbraw/zinc/85/17/65/340851765.db2.gz PXIXXMGGZNDBTA-AATRIKPKSA-N 0 0 315.392 3.843 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@@H](C)c2cccc(O)c2)cc1F ZINC000127661818 340854881 /nfs/dbraw/zinc/85/48/81/340854881.db2.gz SCLWDVQAUYLMPQ-STQMWFEESA-N 0 0 316.376 3.961 10 0 DHAERN COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(C(C)C)cc2)cn1 ZINC000128192596 340861842 /nfs/dbraw/zinc/86/18/42/340861842.db2.gz DFLRCIWSQMWLJG-ROUUACIJSA-N 0 0 324.424 3.634 10 0 DHAERN COc1ccc(OC)c(NC(=O)[C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000129020483 340937660 /nfs/dbraw/zinc/93/76/60/340937660.db2.gz OFCQPWVACMFMCR-CABCVRRESA-N 0 0 303.402 3.859 10 0 DHAERN O=C(Cc1ccccc1Cl)Nc1ccc2c(c1)CCCN2 ZINC000071214770 341025841 /nfs/dbraw/zinc/02/58/41/341025841.db2.gz DZIMOTSJSNVLOW-UHFFFAOYSA-N 0 0 300.789 3.879 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)[C@@H](C)Sc2ccccn2)cc1F ZINC000130948924 341054932 /nfs/dbraw/zinc/05/49/32/341054932.db2.gz TYXROVSGBGFWJL-QWHCGFSZSA-N 0 0 318.417 3.887 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)NC[C@H](CCO)CC(C)C)cc1F ZINC000131091773 341059307 /nfs/dbraw/zinc/05/93/07/341059307.db2.gz XXBAXBZFIHWGEK-LSDHHAIUSA-N 0 0 324.440 3.539 10 0 DHAERN CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000131509674 341092887 /nfs/dbraw/zinc/09/28/87/341092887.db2.gz HKAGVYMKMKFZBD-GYSYKLTISA-N 0 0 322.380 3.792 10 0 DHAERN O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000132663581 341137919 /nfs/dbraw/zinc/13/79/19/341137919.db2.gz GAYSQZMKMJECQM-CABCVRRESA-N 0 0 310.401 3.627 10 0 DHAERN CC1(C)CCC(CC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000132871421 341147974 /nfs/dbraw/zinc/14/79/74/341147974.db2.gz KRIIEQREJKLCKS-QFBILLFUSA-N 0 0 307.478 3.747 10 0 DHAERN O=C(Nc1nnc(C(F)(F)F)s1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000133845334 341193295 /nfs/dbraw/zinc/19/32/95/341193295.db2.gz JNBWGLZRMVDMIG-BDAKNGLRSA-N 0 0 319.352 3.712 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCc1ccc(Cl)cc1Cl ZINC000076362205 341206171 /nfs/dbraw/zinc/20/61/71/341206171.db2.gz SHYOYBUDGHJUJY-GHMZBOCLSA-N 0 0 316.228 3.562 10 0 DHAERN O=C(c1cc2cc(F)ccc2s1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000076925867 341215866 /nfs/dbraw/zinc/21/58/66/341215866.db2.gz UTLYKMGFZYLFTQ-KBPBESRZSA-N 0 0 319.401 3.824 10 0 DHAERN CSC[C@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000077800897 341230784 /nfs/dbraw/zinc/23/07/84/341230784.db2.gz BPUSSHUUWJZQQT-QWHCGFSZSA-N 0 0 302.443 3.952 10 0 DHAERN Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000135324028 341236741 /nfs/dbraw/zinc/23/67/41/341236741.db2.gz ASXHWGROCGRZNF-JQWIXIFHSA-N 0 0 303.299 3.985 10 0 DHAERN C[C@@]1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC[NH2+]1 ZINC000136134594 341253483 /nfs/dbraw/zinc/25/34/83/341253483.db2.gz NLXDXMJLRWKSEF-ZDUSSCGKSA-N 0 0 320.742 3.830 10 0 DHAERN O=C(Nc1ccc2[nH]ccc2c1)c1cccnc1C(F)(F)F ZINC000136271802 341256189 /nfs/dbraw/zinc/25/61/89/341256189.db2.gz XGFZLCVPUMKSDQ-UHFFFAOYSA-N 0 0 305.259 3.834 10 0 DHAERN CC(C)C[C@H](CO)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000136353202 341257282 /nfs/dbraw/zinc/25/72/82/341257282.db2.gz XSQGKWMIDGLAJS-RDTXWAMCSA-N 0 0 314.429 3.607 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cc(F)ccc1Br ZINC000136362967 341257486 /nfs/dbraw/zinc/25/74/86/341257486.db2.gz IDCWYEFJXFSJPI-MRVPVSSYSA-N 0 0 303.175 3.754 10 0 DHAERN CCCCOc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1CO ZINC000081609669 341299296 /nfs/dbraw/zinc/29/92/96/341299296.db2.gz XXRRCIBKYUXZOQ-GJZGRUSLSA-N 0 0 320.433 3.538 10 0 DHAERN C[C@@H]1CC(NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)C[C@@H](C)O1 ZINC000245557700 341301694 /nfs/dbraw/zinc/30/16/94/341301694.db2.gz AXZQCGPBRVMSJY-UHQDVWGKSA-N 0 0 316.445 3.880 10 0 DHAERN CCC[C@](C)(CO)NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000245755615 341313504 /nfs/dbraw/zinc/31/35/04/341313504.db2.gz UTORIURCKYBOSM-YQVWRLOYSA-N 0 0 303.446 3.581 10 0 DHAERN CCC[C@](C)(CO)NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000245755606 341313513 /nfs/dbraw/zinc/31/35/13/341313513.db2.gz UTORIURCKYBOSM-JENIJYKNSA-N 0 0 303.446 3.581 10 0 DHAERN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245859455 341316431 /nfs/dbraw/zinc/31/64/31/341316431.db2.gz DCVNIXVWSQCTRP-ILRSOXBSSA-N 0 0 319.489 3.747 10 0 DHAERN C[C@H](Cc1cccs1)NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246007272 341321722 /nfs/dbraw/zinc/32/17/22/341321722.db2.gz GQIPAVJFCWDHCZ-DDTOSNHZSA-N 0 0 321.392 3.877 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2[C@@H](C)O)cc1 ZINC000246068009 341323548 /nfs/dbraw/zinc/32/35/48/341323548.db2.gz DSUMPZZRGYJFJF-FCLVOEFKSA-N 0 0 315.457 3.675 10 0 DHAERN COC[C@@H](C)CNC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000139285387 341347293 /nfs/dbraw/zinc/34/72/93/341347293.db2.gz SYFAEUOHVHBRSL-VHSXEESVSA-N 0 0 319.232 3.636 10 0 DHAERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246502273 341351033 /nfs/dbraw/zinc/35/10/33/341351033.db2.gz HPODFNNPNYCUAN-DAYGRLMNSA-N 0 0 318.461 3.816 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246502309 341351038 /nfs/dbraw/zinc/35/10/38/341351038.db2.gz HPODFNNPNYCUAN-MPGHIAIKSA-N 0 0 318.461 3.816 10 0 DHAERN COC[C@@H](C)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1C ZINC000246523305 341352585 /nfs/dbraw/zinc/35/25/85/341352585.db2.gz ITQZOBUFNCKHPK-HUUCEWRRSA-N 0 0 304.434 3.595 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000246630166 341354743 /nfs/dbraw/zinc/35/47/43/341354743.db2.gz WZNNECYNYFQZQN-RYQLBKOJSA-N 0 0 316.445 3.717 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(C(C)C)cc2)CCO1 ZINC000246844015 341357628 /nfs/dbraw/zinc/35/76/28/341357628.db2.gz CQLUPDUQBZWPML-FGTMMUONSA-N 0 0 301.430 3.551 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H]2CCCO2)cc1 ZINC000246840267 341357708 /nfs/dbraw/zinc/35/77/08/341357708.db2.gz CKUASWVMZDLMNG-FGTMMUONSA-N 0 0 301.430 3.551 10 0 DHAERN Cc1cc(CNC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)on1 ZINC000140017357 341358983 /nfs/dbraw/zinc/35/89/83/341358983.db2.gz ZQMKPEJCDQVKOQ-CQSZACIVSA-N 0 0 315.417 3.742 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000247123771 341361308 /nfs/dbraw/zinc/36/13/08/341361308.db2.gz JDRYJLDSIXYZAX-XQHKEYJVSA-N 0 0 306.372 3.795 10 0 DHAERN C[C@H](CC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1)C1CCCCC1 ZINC000247145676 341361479 /nfs/dbraw/zinc/36/14/79/341361479.db2.gz WOTBBUWAJIEIPU-AYBZRNKSSA-N 0 0 307.478 3.747 10 0 DHAERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1C[C@H]1C1CC1 ZINC000247158621 341361509 /nfs/dbraw/zinc/36/15/09/341361509.db2.gz XOHHDCYBTSOBLY-GVDBMIGSSA-N 0 0 311.425 3.985 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H]1O)c1ccc(-c2ccccc2)cc1 ZINC000247402034 341364137 /nfs/dbraw/zinc/36/41/37/341364137.db2.gz ROFVMUYJQJCCEK-GDIGMMSISA-N 0 0 324.424 3.627 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CCOC[C@H]2C)o1 ZINC000248903332 341389790 /nfs/dbraw/zinc/38/97/90/341389790.db2.gz ZMXSJBNOISCYJL-BMFZPTHFSA-N 0 0 305.418 3.568 10 0 DHAERN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H]2CCCO[C@H]2C)c1 ZINC000249298197 341396168 /nfs/dbraw/zinc/39/61/68/341396168.db2.gz CGYKSYRLXPKIGH-JZXOWHBKSA-N 0 0 301.430 3.782 10 0 DHAERN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCCO[C@H]2C)c1C ZINC000253351669 341454194 /nfs/dbraw/zinc/45/41/94/341454194.db2.gz LCRKLMUQALNYIV-JQHSSLGASA-N 0 0 301.430 3.782 10 0 DHAERN CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C2CCCCC2)cs1 ZINC000163037104 341456211 /nfs/dbraw/zinc/45/62/11/341456211.db2.gz GBCRGCMKNFTVJN-CABCVRRESA-N 0 0 306.475 3.581 10 0 DHAERN C[C@H]1COC[C@H](C)N1C(=O)CCCc1csc2ccccc12 ZINC000152847080 341508380 /nfs/dbraw/zinc/50/83/80/341508380.db2.gz DTSLOUZFJZZHJB-KBPBESRZSA-N 0 0 317.454 3.860 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2nc3c(ccc4ccccc34)s2)O1 ZINC000153247327 341531662 /nfs/dbraw/zinc/53/16/62/341531662.db2.gz UPMGUVGWEIYQBW-ZWNOBZJWSA-N 0 0 312.394 3.956 10 0 DHAERN O=C(Cc1cccc(F)c1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153314840 341534767 /nfs/dbraw/zinc/53/47/67/341534767.db2.gz GTWUYDIFLOZJOR-QGZVFWFLSA-N 0 0 301.336 3.701 10 0 DHAERN COc1cccc(/C(C)=C\c2nc(-c3ccnc(OC)c3)no2)c1 ZINC000263634095 341574327 /nfs/dbraw/zinc/57/43/27/341574327.db2.gz WVLRBEOELGAQMI-XFXZXTDPSA-N 0 0 323.352 3.709 10 0 DHAERN Cc1cc(Cl)c(NC(=O)N[C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000153938722 341581810 /nfs/dbraw/zinc/58/18/10/341581810.db2.gz HCNQQRYQKNSGIM-YPMHNXCESA-N 0 0 317.216 3.727 10 0 DHAERN Cc1cnc(CNC(=O)N[C@H]2CC[C@H](C)c3ccccc32)s1 ZINC000158325749 341654902 /nfs/dbraw/zinc/65/49/02/341654902.db2.gz XUHHEUJUAWMQIY-NHYWBVRUSA-N 0 0 315.442 3.889 10 0 DHAERN COCC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000171208102 341773870 /nfs/dbraw/zinc/77/38/70/341773870.db2.gz IVOMSUNEXAFUIQ-ZJUUUORDSA-N 0 0 319.232 3.779 10 0 DHAERN C[C@H]1CN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C)CCS1 ZINC000171423980 341777780 /nfs/dbraw/zinc/77/77/80/341777780.db2.gz IANBVTJGOKRTKH-ZFWWWQNUSA-N 0 0 306.475 3.921 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)NCCc1ccc2c(c1)CCO2 ZINC000172036140 341791091 /nfs/dbraw/zinc/79/10/91/341791091.db2.gz QEBOJMLBSZYHFQ-OAHLLOKOSA-N 0 0 324.424 3.533 10 0 DHAERN CC1=C(C(=O)N[C@@H](C)c2ccccc2Br)CCCO1 ZINC000159286263 520798411 /nfs/dbraw/zinc/79/84/11/520798411.db2.gz VURCUZLLUFGIHP-JTQLQIEISA-N 0 0 324.218 3.711 10 0 DHAERN C[C@@H](NC(=O)c1ccon1)c1c(Cl)ccc(F)c1Cl ZINC000128777489 518178088 /nfs/dbraw/zinc/17/80/88/518178088.db2.gz GOCVZGABWXUUJY-ZCFIWIBFSA-N 0 0 303.120 3.612 10 0 DHAERN C/C(=C\c1ccc(C)cc1)C(=O)N1CCC(c2ccnn2C)CC1 ZINC000182065307 518438421 /nfs/dbraw/zinc/43/84/21/518438421.db2.gz GOECMSXPGCRGIE-JQIJEIRASA-N 0 0 323.440 3.538 10 0 DHAERN CC(C)(C)n1cc(CN[C@H]2c3ccccc3CCC2(C)C)nn1 ZINC000191472209 519162224 /nfs/dbraw/zinc/16/22/24/519162224.db2.gz CRFSBOQXPVPAHG-KRWDZBQOSA-N 0 0 312.461 3.836 10 0 DHAERN CC(C)(c1ccccc1)c1ccc(OCc2nnc(N)o2)cc1 ZINC000026473745 519382752 /nfs/dbraw/zinc/38/27/52/519382752.db2.gz HITOOAWYFVIELW-UHFFFAOYSA-N 0 0 309.369 3.557 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cnccc2CO)cc1 ZINC000180964107 519442311 /nfs/dbraw/zinc/44/23/11/519442311.db2.gz BKGPBARALMBECA-CQSZACIVSA-N 0 0 312.413 3.515 10 0 DHAERN CC(C)Cn1ncnc1CN[C@H](C)c1ccc(F)c(Cl)c1 ZINC000183102836 519546842 /nfs/dbraw/zinc/54/68/42/519546842.db2.gz ANLLUGFLGNCAAV-LLVKDONJSA-N 0 0 310.804 3.577 10 0 DHAERN CC(C)Cn1ncnc1CN[C@H](C)c1ccc(C(C)C)cc1 ZINC000182854677 519547981 /nfs/dbraw/zinc/54/79/81/519547981.db2.gz XOFMBZBBOORFAP-OAHLLOKOSA-N 0 0 300.450 3.908 10 0 DHAERN CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)c2cccs2)c1 ZINC000187214935 519711964 /nfs/dbraw/zinc/71/19/64/519711964.db2.gz VYRXRZAETPGEHN-LLVKDONJSA-N 0 0 302.399 3.506 10 0 DHAERN CC(=O)Nc1nc(CN2CCCC[C@@H]2c2ccc(C)o2)cs1 ZINC000130927226 519752367 /nfs/dbraw/zinc/75/23/67/519752367.db2.gz AVJYMKZNPZDRFG-CQSZACIVSA-N 0 0 319.430 3.730 10 0 DHAERN CC(C)OCCCCNC(=O)N[C@H]1CCCc2ccccc21 ZINC000181935346 519760250 /nfs/dbraw/zinc/76/02/50/519760250.db2.gz UWHZRETXBAZBDX-KRWDZBQOSA-N 0 0 304.434 3.568 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C)CCOCC2)cc1 ZINC000130515906 519839568 /nfs/dbraw/zinc/83/95/68/519839568.db2.gz LGJAXBMTUNCIJJ-IRXDYDNUSA-N 0 0 301.430 3.599 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCc2nccs2)cc1 ZINC000130617532 519839625 /nfs/dbraw/zinc/83/96/25/519839625.db2.gz GNSRTETXCOVLMV-HOTGVXAUSA-N 0 0 314.454 3.729 10 0 DHAERN CC(C)c1csc([C@H]2CCCN(C(=O)NC(C)(C)C)C2)n1 ZINC000157334472 519857246 /nfs/dbraw/zinc/85/72/46/519857246.db2.gz UTCGAFNBBGZHTL-LBPRGKRZSA-N 0 0 309.479 3.954 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(Cc1ccc3ccccc3n1)C2 ZINC000124679005 519868711 /nfs/dbraw/zinc/86/87/11/519868711.db2.gz DAQSKVWJSIMHCH-UHFFFAOYSA-N 0 0 320.440 3.650 10 0 DHAERN CCCCCC[C@@H](C)NC(=O)N1CCC(c2ccnn2C)CC1 ZINC000155059202 520114738 /nfs/dbraw/zinc/11/47/38/520114738.db2.gz LDNUFVZJSNZTCQ-OAHLLOKOSA-N 0 0 320.481 3.668 10 0 DHAERN CC(C)n1nnnc1COc1cc(C(F)(F)F)ccc1Cl ZINC000107078339 520144238 /nfs/dbraw/zinc/14/42/38/520144238.db2.gz LGCRGXWWIIHRFX-UHFFFAOYSA-N 0 0 320.702 3.505 10 0 DHAERN CC1(C)C[C@@H](NC(=O)NCc2ccsc2)c2ccccc2O1 ZINC000177905578 520518653 /nfs/dbraw/zinc/51/86/53/520518653.db2.gz XHOLHYAYHUQNAA-CQSZACIVSA-N 0 0 316.426 3.850 10 0 DHAERN CC1CCN(c2cccc(NC(=O)[C@@H]3CCCO[C@H]3C)c2)CC1 ZINC000187954904 521046447 /nfs/dbraw/zinc/04/64/47/521046447.db2.gz AIPMXCIODSBGBL-MAUKXSAKSA-N 0 0 316.445 3.677 10 0 DHAERN CCCN(C)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000157596494 521461573 /nfs/dbraw/zinc/46/15/73/521461573.db2.gz JOAAZXUKXOWNJJ-OAHLLOKOSA-N 0 0 302.418 3.874 10 0 DHAERN CCOCCC1(CNC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000161745926 521686808 /nfs/dbraw/zinc/68/68/08/521686808.db2.gz METRDABVHOKROR-QGZVFWFLSA-N 0 0 316.445 3.570 10 0 DHAERN CCc1nc(C2(NCc3cc(F)ccc3Cl)CCCC2)no1 ZINC000189048670 522243784 /nfs/dbraw/zinc/24/37/84/522243784.db2.gz UKYPVRSEXGDBAD-UHFFFAOYSA-N 0 0 323.799 3.984 10 0 DHAERN CCc1nc(CN2CCC[C@H](c3nc(C)cs3)C2)cs1 ZINC000156967807 522309590 /nfs/dbraw/zinc/30/95/90/522309590.db2.gz LBCQNLIMMIVOKR-LBPRGKRZSA-N 0 0 307.488 3.850 10 0 DHAERN CCc1nc(CNC(=O)N[C@@H](C)c2ccc(CC)cc2)cs1 ZINC000107725112 522332935 /nfs/dbraw/zinc/33/29/35/522332935.db2.gz AQAXVTUGHZASPT-LBPRGKRZSA-N 0 0 317.458 3.828 10 0 DHAERN COC[C@@H](NC(=O)N[C@@H](C)c1cccc(Cl)c1)c1ccco1 ZINC000175176398 522333848 /nfs/dbraw/zinc/33/38/48/522333848.db2.gz NTRVHXLNUWTZMZ-SMDDNHRTSA-N 0 0 322.792 3.681 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2cc3ccccc3o2)cs1 ZINC000103361133 522554901 /nfs/dbraw/zinc/55/49/01/522554901.db2.gz GXKUXGHWPLAYQO-JTQLQIEISA-N 0 0 316.382 3.777 10 0 DHAERN COc1cc(N[C@@H](C)c2cn(C)nc2C)ccc1Br ZINC000168885496 522758614 /nfs/dbraw/zinc/75/86/14/522758614.db2.gz BNKRLIXMAPWDTL-VIFPVBQESA-N 0 0 324.222 3.673 10 0 DHAERN COCc1noc([C@H](C)N[C@H](C)c2ccc(C(C)C)cc2)n1 ZINC000183008481 523274528 /nfs/dbraw/zinc/27/45/28/523274528.db2.gz LHAPERQULMRIJO-OLZOCXBDSA-N 0 0 303.406 3.751 10 0 DHAERN COCCC[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000182589330 523453969 /nfs/dbraw/zinc/45/39/69/523453969.db2.gz WZOFYEYGBQZGNV-MNOVXSKESA-N 0 0 301.789 3.719 10 0 DHAERN CCc1cc(O)ccc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000191079630 523828130 /nfs/dbraw/zinc/82/81/30/523828130.db2.gz VVJDKFNDCUTZFS-KGLIPLIRSA-N 0 0 317.335 3.975 10 0 DHAERN CO[C@H](C)c1noc(CN[C@@H](C)c2ccc3ccccc3c2)n1 ZINC000181489158 523922924 /nfs/dbraw/zinc/92/29/24/523922924.db2.gz UOUTYMXYXDMRLC-QWHCGFSZSA-N 0 0 311.385 3.781 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)Cc2cccc(O)c2)o1 ZINC000175661783 524035155 /nfs/dbraw/zinc/03/51/55/524035155.db2.gz ZZJZWTZUZBMCIX-KRWDZBQOSA-N 0 0 313.397 3.844 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccc(COC3CCCC3)cc2)O1 ZINC000155990211 524336282 /nfs/dbraw/zinc/33/62/82/524336282.db2.gz UFCNCVVKLIHRGH-GUYCJALGSA-N 0 0 303.402 3.652 10 0 DHAERN COc1ccc(N(C(=O)[C@@H]2CCCO[C@@H]2C)[C@@H](C)C2CC2)cc1 ZINC000190822116 524336942 /nfs/dbraw/zinc/33/69/42/524336942.db2.gz YQTRYIMYXLKMQI-PMUMKWKESA-N 0 0 317.429 3.642 10 0 DHAERN Cc1cc(C)n(-c2cccc(N[C@H](C)c3nccnc3C)c2)n1 ZINC000188401587 524493057 /nfs/dbraw/zinc/49/30/57/524493057.db2.gz WQAJSVFJKSVALT-OAHLLOKOSA-N 0 0 307.401 3.761 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2cccnc2)c2ccccc21 ZINC000153240210 524692899 /nfs/dbraw/zinc/69/28/99/524692899.db2.gz NVMSPALCIJCJOY-KDOFPFPSSA-N 0 0 309.413 3.862 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)N(C)Cc2nccs2)c2ccccc21 ZINC000153090968 524694217 /nfs/dbraw/zinc/69/42/17/524694217.db2.gz HOGWKGUWMXKYDF-DOMZBBRYSA-N 0 0 315.442 3.923 10 0 DHAERN Cc1ccc(Cl)c(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000157099201 524706426 /nfs/dbraw/zinc/70/64/26/524706426.db2.gz BCYRLYLTUFMDLA-CXAGYDPISA-N 0 0 322.836 3.807 10 0 DHAERN COc1ccccc1[C@H](NC(=O)N[C@H](C)C(C)C)c1ccco1 ZINC000131129386 524795083 /nfs/dbraw/zinc/79/50/83/524795083.db2.gz SSHFEGUDECJFOM-DYVFJYSZSA-N 0 0 316.401 3.721 10 0 DHAERN COc1ccnc(CN[C@H](C)c2ccc(F)c(Cl)c2)c1OC ZINC000191047117 524836029 /nfs/dbraw/zinc/83/60/29/524836029.db2.gz UOJIMXZWYRTAFV-SNVBAGLBSA-N 0 0 324.783 3.742 10 0 DHAERN Cc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1nccs1 ZINC000125192606 524964982 /nfs/dbraw/zinc/96/49/82/524964982.db2.gz FVLLWQIQGGUJDG-AWEZNQCLSA-N 0 0 304.390 3.958 10 0 DHAERN C[C@H](NC(=O)N(C)CCc1nccs1)c1cccc(Cl)c1 ZINC000162916427 525002954 /nfs/dbraw/zinc/00/29/54/525002954.db2.gz NXGVGHUSLLJWIO-NSHDSACASA-N 0 0 323.849 3.742 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)N(Cc1ccco1)Cc1cccs1 ZINC000188506373 525011315 /nfs/dbraw/zinc/01/13/15/525011315.db2.gz FRZJMCMRVXPRHS-CJNGLKHVSA-N 0 0 319.426 3.685 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000190805975 525014373 /nfs/dbraw/zinc/01/43/73/525014373.db2.gz OSWVKQPVEQAPMQ-HIFRSBDPSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000188649096 525014696 /nfs/dbraw/zinc/01/46/96/525014696.db2.gz HXBVOYIXVKVMJE-MFKMUULPSA-N 0 0 308.809 3.668 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)Nc1cnccc1Oc1ccccc1 ZINC000190805946 525017781 /nfs/dbraw/zinc/01/77/81/525017781.db2.gz OSWVKQPVEQAPMQ-UKRRQHHQSA-N 0 0 312.369 3.628 10 0 DHAERN C[C@@H]1COCC[C@@H]1Nc1ccc(OC(F)F)c2cccnc12 ZINC000195121350 525136643 /nfs/dbraw/zinc/13/66/43/525136643.db2.gz PZLYLXRVRHFTMB-PWSUYJOCSA-N 0 0 308.328 3.673 10 0 DHAERN Cc1ccc(NC(=O)N[C@H](C)c2ccc(F)c(F)c2)c(C)n1 ZINC000176739062 525177723 /nfs/dbraw/zinc/17/77/23/525177723.db2.gz ZUVVGZMSPLOASG-SNVBAGLBSA-N 0 0 305.328 3.859 10 0 DHAERN C[C@@H]1C[C@H](C(=O)Nc2nc3c(s2)COCC3)CC(C)(C)C1 ZINC000180129864 525365009 /nfs/dbraw/zinc/36/50/09/525365009.db2.gz DFSPKVFNORRFPN-MNOVXSKESA-N 0 0 308.447 3.617 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000190438457 525409067 /nfs/dbraw/zinc/40/90/67/525409067.db2.gz AYVSOFUGXVKGHE-YJBOKZPZSA-N 0 0 316.445 3.657 10 0 DHAERN Cc1c(-c2nc(CCc3ccccc3)no2)cnn1CC(C)C ZINC000158342717 525513813 /nfs/dbraw/zinc/51/38/13/525513813.db2.gz VISSSUMZCZQUQH-UHFFFAOYSA-N 0 0 310.401 3.683 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000191569399 525557574 /nfs/dbraw/zinc/55/75/74/525557574.db2.gz PCNKKXODNBXDKU-FZMZJTMJSA-N 0 0 302.399 3.564 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000191265311 525559027 /nfs/dbraw/zinc/55/90/27/525559027.db2.gz BIWCJAWOCRLZOA-JCURWCKSSA-N 0 0 305.393 3.598 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000191160400 525559543 /nfs/dbraw/zinc/55/95/43/525559543.db2.gz WANAJMSHQGNHGF-WCBMZHEXSA-N 0 0 305.271 3.598 10 0 DHAERN CSC[C@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129998681 525673213 /nfs/dbraw/zinc/67/32/13/525673213.db2.gz MKCFKDIDTQGTEE-ZFWWWQNUSA-N 0 0 319.470 3.938 10 0 DHAERN Cc1ccc([C@@H](C)NCc2nc(-c3ccc(F)c(F)c3)no2)o1 ZINC000182579853 525737086 /nfs/dbraw/zinc/73/70/86/525737086.db2.gz YUDYOMOSLCVOON-SNVBAGLBSA-N 0 0 319.311 3.767 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H]2CC2(Cl)Cl)o1 ZINC000127816199 525799652 /nfs/dbraw/zinc/79/96/52/525799652.db2.gz XSJVYQVOZRTTKS-QWRGUYRKSA-N 0 0 302.201 3.835 10 0 DHAERN CSc1cc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)ccc1F ZINC000162819450 525926248 /nfs/dbraw/zinc/92/62/48/525926248.db2.gz SAPUXYHKXUVMEA-AWEZNQCLSA-N 0 0 319.405 3.638 10 0 DHAERN Cc1ccc([C@H](C)NCc2nc(-c3ccc(F)c(C)c3)no2)o1 ZINC000182564227 525930780 /nfs/dbraw/zinc/93/07/80/525930780.db2.gz JGMVDYNLYOTJMZ-LBPRGKRZSA-N 0 0 315.348 3.936 10 0 DHAERN C[C@@H](SCc1nnc(C2CC2)n1C)c1nc2ccccc2o1 ZINC000183293223 525982553 /nfs/dbraw/zinc/98/25/53/525982553.db2.gz SZNCQUZRBKOYDY-SNVBAGLBSA-N 0 0 314.414 3.828 10 0 DHAERN C[C@H](c1ccc(Cl)cc1)N(C)Cc1cc(C(N)=O)cs1 ZINC000130839410 526048519 /nfs/dbraw/zinc/04/85/19/526048519.db2.gz GFNDUVDLMUDUGG-SNVBAGLBSA-N 0 0 308.834 3.693 10 0 DHAERN Cc1cnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)nc1 ZINC000270233102 526069842 /nfs/dbraw/zinc/06/98/42/526069842.db2.gz JPKXLTCWBJJFJU-CYBMUJFWSA-N 0 0 302.447 3.749 10 0 DHAERN Cc1ccc2c(c1)[C@@H](NC(=O)CSc1ccncc1)[C@@H](C)C2 ZINC000182202353 526181170 /nfs/dbraw/zinc/18/11/70/526181170.db2.gz BQTXFJJOPULQOJ-UGSOOPFHSA-N 0 0 312.438 3.532 10 0 DHAERN COc1cccc(NC(=O)N2CCCC[C@@H]2c2cccn2C)c1 ZINC000176976731 526186995 /nfs/dbraw/zinc/18/69/95/526186995.db2.gz ACIZOYMFGISICI-QGZVFWFLSA-N 0 0 313.401 3.793 10 0 DHAERN Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)c1cccnc1)[C@H](C)C2 ZINC000181405399 526204217 /nfs/dbraw/zinc/20/42/17/526204217.db2.gz YHXRPCMZMINOSK-QWQRMKEZSA-N 0 0 309.413 3.684 10 0 DHAERN C[C@H](CC(=O)N1CCO[C@@H](c2nccs2)C1)C1CCCCC1 ZINC000110875242 526229794 /nfs/dbraw/zinc/22/97/94/526229794.db2.gz DDYKPVSEMUIWEM-UKRRQHHQSA-N 0 0 322.474 3.650 10 0 DHAERN Cc1cnccc1CNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000188924620 526235067 /nfs/dbraw/zinc/23/50/67/526235067.db2.gz KHJRJBULGLKSBO-OALUTQOASA-N 0 0 308.425 3.933 10 0 DHAERN Cc1ccc(C(F)(F)F)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188654839 526251341 /nfs/dbraw/zinc/25/13/41/526251341.db2.gz LBQSPMPCOUPUHP-PWSUYJOCSA-N 0 0 301.308 3.767 10 0 DHAERN Cc1coc(S[C@@H](C(=O)N[C@H](C)c2ccccc2)C(C)C)n1 ZINC000188450192 526290543 /nfs/dbraw/zinc/29/05/43/526290543.db2.gz GHQQORFHUOBCRJ-UKRRQHHQSA-N 0 0 318.442 3.977 10 0 DHAERN O=C(O[C@@H]1CCc2cccnc21)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000189269192 526434687 /nfs/dbraw/zinc/43/46/87/526434687.db2.gz MQTWXUKHKKPMFW-DVOMOZLQSA-N 0 0 315.319 3.694 10 0 DHAERN Cc1csc([C@H]2CN(C/C=C/c3ccccc3)CCO2)n1 ZINC000157776568 526444103 /nfs/dbraw/zinc/44/41/03/526444103.db2.gz WHHUOSFVFWRJSA-CDVVCGDMSA-N 0 0 300.427 3.538 10 0 DHAERN Cc1noc(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000130220442 526511885 /nfs/dbraw/zinc/51/18/85/526511885.db2.gz QIGABVSXUPNDDD-DLBZAZTESA-N 0 0 312.413 3.835 10 0 DHAERN Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1C ZINC000120573814 526574017 /nfs/dbraw/zinc/57/40/17/526574017.db2.gz PPRWNJVNDOADOS-OLZOCXBDSA-N 0 0 315.417 3.764 10 0 DHAERN c1nc2ccc(-c3nc(-c4c[nH]c5ccccc54)no3)cc2[nH]1 ZINC000073637971 526608045 /nfs/dbraw/zinc/60/80/45/526608045.db2.gz ZKAGSBDLEJGDHL-UHFFFAOYSA-N 0 0 301.309 3.761 10 0 DHAERN Cc1scc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)c1C ZINC000180369043 526903411 /nfs/dbraw/zinc/90/34/11/526903411.db2.gz SXIMAGMIWWOVHZ-UKRRQHHQSA-N 0 0 319.426 3.686 10 0 DHAERN O=C(Nc1c[nH]nc1-c1ccccn1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000156591697 527097065 /nfs/dbraw/zinc/09/70/65/527097065.db2.gz WSHZCZCFCZAEJP-ZIAGYGMSSA-N 0 0 310.401 3.627 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000182149003 527187979 /nfs/dbraw/zinc/18/79/79/527187979.db2.gz QIMHFFPTWYZRTF-HOTGVXAUSA-N 0 0 320.387 3.687 10 0 DHAERN Cn1cc([C@H]2CCCN2c2nc(-c3ccccc3)cs2)cn1 ZINC000127235588 527317648 /nfs/dbraw/zinc/31/76/48/527317648.db2.gz DMCNEZITIOVJRV-MRXNPFEDSA-N 0 0 310.426 3.885 10 0 DHAERN O=C(Nc1ccnc(Cl)c1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000181870204 527453400 /nfs/dbraw/zinc/45/34/00/527453400.db2.gz BFBSNVIJQFDKDD-RKDXNWHRSA-N 0 0 321.730 3.978 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)c1cccs1 ZINC000159189204 527661556 /nfs/dbraw/zinc/66/15/56/527661556.db2.gz LAAQZWQOVADVCQ-SMDDNHRTSA-N 0 0 317.458 3.566 10 0 DHAERN CC[C@@H]1CC[C@@H](c2nnc([C@H]3CCO[C@@H]3c3ccccc3)o2)O1 ZINC000299752446 529338164 /nfs/dbraw/zinc/33/81/64/529338164.db2.gz UDSMGRADAWQYAR-FXUDXRNXSA-N 0 0 314.385 3.945 10 0 DHAERN CC(C)C(=O)[C@H]1CCCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000536951401 563889753 /nfs/dbraw/zinc/88/97/53/563889753.db2.gz VEBJMBLKHNUSJR-LLVKDONJSA-N 0 0 314.212 3.962 10 0 DHAERN CN(C)c1ccc(N)cc1NC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226261237 563913218 /nfs/dbraw/zinc/91/32/18/563913218.db2.gz UFAKTTYIHFGFTK-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN COc1ccc([C@H]2c3cc4c(cc3OC(=O)C2C)OCO4)cc1 ZINC000000044301 563211759 /nfs/dbraw/zinc/21/17/59/563211759.db2.gz PNPGVAQOFQTFCI-KRWDZBQOSA-N 0 0 312.321 3.738 10 0 DHAERN CCCC(=O)N1CCC[C@@H](c2ccnc(-c3ccc(C)cc3)n2)C1 ZINC000065135512 563397141 /nfs/dbraw/zinc/39/71/41/563397141.db2.gz KBQICXHGTVOKJB-QGZVFWFLSA-N 0 0 323.440 3.958 10 0 DHAERN CC(C)N(C[C@H]1COc2ccccc2C1)C(=O)c1cccs1 ZINC000032985075 563457841 /nfs/dbraw/zinc/45/78/41/563457841.db2.gz SILCMQIMKDPDBV-AWEZNQCLSA-N 0 0 315.438 3.850 10 0 DHAERN Cc1nc([C@H]2NCCc3sccc32)sc1Br ZINC000719295172 563477694 /nfs/dbraw/zinc/47/76/94/563477694.db2.gz WVOYREPHWUCKKH-VIFPVBQESA-N 0 0 315.261 3.511 10 0 DHAERN FC(F)(F)[C@@H](Cc1ccncc1)Nc1ccc2c(c1)COC2 ZINC000097231648 563514652 /nfs/dbraw/zinc/51/46/52/563514652.db2.gz WZVWMVDRTGQNEP-OAHLLOKOSA-N 0 0 308.303 3.697 10 0 DHAERN CCc1c(C)cc2nc(C[C@H](C)CC)nn2c1Br ZINC000725248249 563526945 /nfs/dbraw/zinc/52/69/45/563526945.db2.gz PMIYAFFVHNZOFQ-SECBINFHSA-N 0 0 310.239 3.951 10 0 DHAERN CCCCc1nc2cc(C(F)F)cc(Br)n2n1 ZINC000725248227 563527024 /nfs/dbraw/zinc/52/70/24/563527024.db2.gz OWIRGKGGANXKEX-UHFFFAOYSA-N 0 0 304.138 3.772 10 0 DHAERN CCOC(=O)c1c(N)ncc(-c2ccc(C)cc2)c1C(F)(F)F ZINC000097673676 563540891 /nfs/dbraw/zinc/54/08/91/563540891.db2.gz CVOFTIBVAHOOMC-UHFFFAOYSA-N 0 0 324.302 3.835 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](C(C)(C)Br)C1 ZINC000725261489 563567743 /nfs/dbraw/zinc/56/77/43/563567743.db2.gz VEBTXAFWQYTKQR-JTQLQIEISA-N 0 0 306.244 3.807 10 0 DHAERN CCOc1ccccc1[C@@H]1CC(c2cccs2)=Nc2ncnn21 ZINC000102794543 563663122 /nfs/dbraw/zinc/66/31/22/563663122.db2.gz XXXCYYRHJOCCFV-AWEZNQCLSA-N 0 0 324.409 3.794 10 0 DHAERN CC(C)SCC(=O)c1ccc(I)cc1 ZINC000037687604 563691259 /nfs/dbraw/zinc/69/12/59/563691259.db2.gz RGTXMFQHGATYHG-UHFFFAOYSA-N 0 0 320.195 3.616 10 0 DHAERN CCOC(=O)c1sc(Br)cc1C1CSC1 ZINC000675058191 563910255 /nfs/dbraw/zinc/91/02/55/563910255.db2.gz VZNHQHZIAZQBOK-UHFFFAOYSA-N 0 0 307.234 3.518 10 0 DHAERN CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1N ZINC000226266751 563913540 /nfs/dbraw/zinc/91/35/40/563913540.db2.gz GJSVANCZYUFLBL-UHFFFAOYSA-N 0 0 301.365 3.506 10 0 DHAERN CCN(C(=O)C(F)(F)F)c1ccc(N2CCC(C)CC2)cc1 ZINC000226284938 563913722 /nfs/dbraw/zinc/91/37/22/563913722.db2.gz JQRUSPPDZNERPR-UHFFFAOYSA-N 0 0 314.351 3.838 10 0 DHAERN CCn1c2ccc(NC(C)=O)cc2c2cc(NC(C)=O)ccc21 ZINC000032106461 563923832 /nfs/dbraw/zinc/92/38/32/563923832.db2.gz BJONCINXKZXKNJ-UHFFFAOYSA-N 0 0 309.369 3.731 10 0 DHAERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC000328638473 563929872 /nfs/dbraw/zinc/92/98/72/563929872.db2.gz WLGPDXMNWXHJJI-SNVBAGLBSA-N 0 0 323.849 3.625 10 0 DHAERN C[C@@H]1CCC[N@H+](CCc2cc(Cl)cc(Cl)c2)[C@@H]1C(=O)[O-] ZINC000722131673 955193431 /nfs/dbraw/zinc/19/34/31/955193431.db2.gz COBLMBAGHLGSSZ-YGRLFVJLSA-N 0 0 316.228 3.721 10 0 DHAERN O=C([O-])CCN(Cc1ccccc1)Cc1c(F)cccc1Cl ZINC000139456075 958968615 /nfs/dbraw/zinc/96/86/15/958968615.db2.gz LHIPQKCGXOYURD-UHFFFAOYSA-N 0 0 321.779 3.956 10 0 DHAERN O=C([O-])[C@@H]1CCC[N@@H+]1Cc1ccc(Sc2ccccc2)cc1 ZINC000263415003 962582607 /nfs/dbraw/zinc/58/26/07/962582607.db2.gz MVVDWVLBBHPFAZ-KRWDZBQOSA-N 0 0 313.422 3.887 10 0 DHAERN C[C@@H]1C[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000076033806 1013850522 /nfs/dbraw/zinc/85/05/22/1013850522.db2.gz IAXYKARGDRPASN-YPMHNXCESA-N 0 0 302.374 3.648 10 0 DHAERN O=C([O-])C[N@H+](CCSc1ccccc1F)Cc1ccccc1 ZINC000692414951 976456972 /nfs/dbraw/zinc/45/69/72/976456972.db2.gz QJOPKBIRIWGHJO-UHFFFAOYSA-N 0 0 319.401 3.505 10 0 DHAERN C[C@@H](c1ccccc1Br)[N@H+](C)CCCCC(=O)[O-] ZINC000719356499 978000002 /nfs/dbraw/zinc/00/00/02/978000002.db2.gz RUWRERFDZPCVRP-NSHDSACASA-N 0 0 314.223 3.697 10 0 DHAERN Cc1cc(O)c(C(C)C)cc1NC(=O)C1C[C@@H](C)O[C@H](C)C1 ZINC000093096171 1014824388 /nfs/dbraw/zinc/82/43/88/1014824388.db2.gz JDHNMYWMMZDJLK-CHWSQXEVSA-N 0 0 305.418 3.966 10 0 DHAERN Fc1ccccc1CN[C@@H](c1ncon1)c1ccc(Cl)cc1 ZINC000090202461 1032388847 /nfs/dbraw/zinc/38/88/47/1032388847.db2.gz PNSYJLOQSSATQG-OAHLLOKOSA-N 0 0 317.751 3.741 10 0 DHAERN Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)cc1 ZINC000090202766 1032389967 /nfs/dbraw/zinc/38/99/67/1032389967.db2.gz ONUHLZVXIQOKCX-INIZCTEOSA-N 0 0 313.788 3.911 10 0 DHAERN O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1nccs1 ZINC000074908247 1030626649 /nfs/dbraw/zinc/62/66/49/1030626649.db2.gz BBKJZHYNZDIUHS-OAHLLOKOSA-N 0 0 311.410 3.531 10 0 DHAERN Cc1csc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000095576795 185380667 /nfs/dbraw/zinc/38/06/67/185380667.db2.gz ZRRWEWXOOQZDHR-UHFFFAOYSA-N 0 0 304.459 3.626 10 0 DHAERN CC(C)(C)c1ncc(OC2CC2)cc1I ZINC000095713103 185383193 /nfs/dbraw/zinc/38/31/93/185383193.db2.gz GIPWPMLRODGSJK-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)(C)c1cncc(OC2CC2)c1I ZINC000095721497 185383329 /nfs/dbraw/zinc/38/33/29/185383329.db2.gz JLLGPWYVGQFQHW-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN CC(C)(C)c1ccc(OC2CC2)c(I)n1 ZINC000095721919 185383332 /nfs/dbraw/zinc/38/33/32/185383332.db2.gz FQDLVHFBBRLPJB-UHFFFAOYSA-N 0 0 317.170 3.525 10 0 DHAERN N[C@H](c1nc2c(s1)CCC2)c1cc(F)cc(C(F)(F)F)c1 ZINC000096795222 185388610 /nfs/dbraw/zinc/38/86/10/185388610.db2.gz WJZHCKYDOYFPDD-LBPRGKRZSA-N 0 0 316.323 3.838 10 0 DHAERN CC1(C)CNc2c1cc(Br)cc2Br ZINC000082587377 185191005 /nfs/dbraw/zinc/19/10/05/185191005.db2.gz YCTFMMPNBAEQBP-UHFFFAOYSA-N 0 0 305.013 3.915 10 0 DHAERN CCOc1ccc(C(=O)c2cccc(N)c2)cc1Br ZINC000083162902 185215346 /nfs/dbraw/zinc/21/53/46/185215346.db2.gz UBKLYLNUPKDUOV-UHFFFAOYSA-N 0 0 320.186 3.661 10 0 DHAERN COC(=O)c1nc(C)sc1-c1ccc(Br)cc1 ZINC000083239253 185221265 /nfs/dbraw/zinc/22/12/65/185221265.db2.gz UIIASGDNJSVHCX-UHFFFAOYSA-N 0 0 312.188 3.668 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000088411971 185249113 /nfs/dbraw/zinc/24/91/13/185249113.db2.gz FFBNYSJWKLCUNN-LLVKDONJSA-N 0 0 314.389 3.780 10 0 DHAERN CCc1nc2n(n1)CCC[C@H]2N[C@H](CC)c1ccc(F)cc1 ZINC000088559661 185257728 /nfs/dbraw/zinc/25/77/28/185257728.db2.gz YAZNKSZMOMUSSU-HUUCEWRRSA-N 0 0 302.397 3.555 10 0 DHAERN CCc1nc2n(n1)CCC[C@@H]2N[C@@H](CC)c1ccc(F)cc1 ZINC000088559658 185257860 /nfs/dbraw/zinc/25/78/60/185257860.db2.gz YAZNKSZMOMUSSU-GJZGRUSLSA-N 0 0 302.397 3.555 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1ccccc1C(F)(F)F ZINC000090224009 185287176 /nfs/dbraw/zinc/28/71/76/185287176.db2.gz DJFSUSPQYCNPDY-HZMBPMFUSA-N 0 0 324.350 3.791 10 0 DHAERN Cc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1ccc(OC(C)C)cc1 ZINC000090224410 185287352 /nfs/dbraw/zinc/28/73/52/185287352.db2.gz HUVPHELPBUEFLJ-DYVFJYSZSA-N 0 0 314.433 3.559 10 0 DHAERN CSc1ccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)cc1F ZINC000090225292 185287660 /nfs/dbraw/zinc/28/76/60/185287660.db2.gz CGSWBOFBNPCJNQ-IINYFYTJSA-N 0 0 320.437 3.633 10 0 DHAERN Cc1onc(-c2ccccc2)c1-c1ccc(S(C)(=O)=O)cc1 ZINC000090411936 185295227 /nfs/dbraw/zinc/29/52/27/185295227.db2.gz AIWQSOFGFNKOOF-UHFFFAOYSA-N 0 0 313.378 3.721 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3cccc4[nH]ccc43)CCO2)n1 ZINC000092790362 185341540 /nfs/dbraw/zinc/34/15/40/185341540.db2.gz QCQZGQUUBDLONN-INIZCTEOSA-N 0 0 313.426 3.506 10 0 DHAERN CCn1cc(C2CCN(Cc3cc(F)c(F)cc3F)CC2)cn1 ZINC000092809378 185343030 /nfs/dbraw/zinc/34/30/30/185343030.db2.gz UPQPKKQEENQFME-UHFFFAOYSA-N 0 0 323.362 3.700 10 0 DHAERN Cc1ccc(CN2CCCC[C@H]2c2nnc3n2CCCC3)s1 ZINC000092811932 185343233 /nfs/dbraw/zinc/34/32/33/185343233.db2.gz HWXUDFPLSZOTMD-HNNXBMFYSA-N 0 0 316.474 3.712 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(Oc2ccccc2OC)cc1 ZINC000103362453 185448046 /nfs/dbraw/zinc/44/80/46/185448046.db2.gz SAWWDYOZXGUKEY-ZDUSSCGKSA-N 0 0 315.369 3.709 10 0 DHAERN COC[C@H](C)C(=O)Nc1ccc(C)cc1OCc1ccccc1 ZINC000103383240 185449065 /nfs/dbraw/zinc/44/90/65/185449065.db2.gz COMMQORFSBKAMC-HNNXBMFYSA-N 0 0 313.397 3.795 10 0 DHAERN Nc1cc(NC(=O)c2cccs2)ccc1N1CCCCC1 ZINC000226263132 201770226 /nfs/dbraw/zinc/77/02/26/201770226.db2.gz MMDKLKLTZZYJLQ-UHFFFAOYSA-N 0 0 301.415 3.573 10 0 DHAERN CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1N ZINC000226267153 201770855 /nfs/dbraw/zinc/77/08/55/201770855.db2.gz MWOJXPBAVSYHRH-UHFFFAOYSA-N 0 0 324.211 3.894 10 0 DHAERN CCc1cc(N)ccc1NC(=O)c1cccc(Br)c1 ZINC000226318038 201774798 /nfs/dbraw/zinc/77/47/98/201774798.db2.gz GBFGGARMYFAYDC-UHFFFAOYSA-N 0 0 319.202 3.846 10 0 DHAERN CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1 ZINC000226349541 201776746 /nfs/dbraw/zinc/77/67/46/201776746.db2.gz GJGPPQOGTUEOEU-UHFFFAOYSA-N 0 0 304.777 3.963 10 0 DHAERN Cc1ccc(C(=O)Nc2c(C)cc(N)cc2Br)cc1 ZINC000226763050 201788211 /nfs/dbraw/zinc/78/82/11/201788211.db2.gz HEYQYMDBDYUJFX-UHFFFAOYSA-N 0 0 319.202 3.900 10 0 DHAERN Cc1ncc(CS[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)s1 ZINC000068977300 190792496 /nfs/dbraw/zinc/79/24/96/190792496.db2.gz JRQWXIANVTZEED-RYUDHWBXSA-N 0 0 320.483 3.951 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCOc3ccc(F)cc32)o1 ZINC000069071998 190797183 /nfs/dbraw/zinc/79/71/83/190797183.db2.gz HDAUOBDETCNTBS-BXUZGUMPSA-N 0 0 318.348 3.611 10 0 DHAERN CC(C)(C)c1ncc2c(n1)CN(C(=O)c1ccccc1Cl)C2 ZINC000071712070 191011718 /nfs/dbraw/zinc/01/17/18/191011718.db2.gz KYXHLBKDZWUHOO-UHFFFAOYSA-N 0 0 315.804 3.584 10 0 DHAERN COc1ccc(CNC(=O)N[C@H](C)C(C)C)c(C(F)(F)F)c1 ZINC000072083077 191034793 /nfs/dbraw/zinc/03/47/93/191034793.db2.gz FDNAPOIDPKGXRW-SNVBAGLBSA-N 0 0 318.339 3.558 10 0 DHAERN c1csc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)n1 ZINC000072127476 191043967 /nfs/dbraw/zinc/04/39/67/191043967.db2.gz FRXRWYNHCKNEIC-UHFFFAOYSA-N 0 0 307.382 3.694 10 0 DHAERN COC(=O)c1cc2c(nc(C(C)(C)C)cc2C(F)(F)F)o1 ZINC000072193583 191073778 /nfs/dbraw/zinc/07/37/78/191073778.db2.gz UKWYDJYBZQUTRL-UHFFFAOYSA-N 0 0 301.264 3.931 10 0 DHAERN C[C@H]1CC[C@@H](C(=O)Nc2ccccc2COc2ccccc2)O1 ZINC000150734295 186061604 /nfs/dbraw/zinc/06/16/04/186061604.db2.gz ZQARLFXDXIHDTK-KSSFIOAISA-N 0 0 311.381 3.772 10 0 DHAERN Cc1cc2nc(C)cc(NCc3cc(C)oc3C(F)(F)F)n2n1 ZINC000072457220 191172228 /nfs/dbraw/zinc/17/22/28/191172228.db2.gz LLAUYEGBSLVWGN-UHFFFAOYSA-N 0 0 324.306 3.878 10 0 DHAERN Cc1cccc(NC(=O)c2cnc(N3CCC(C)CC3)nc2C)c1 ZINC000072464997 191173907 /nfs/dbraw/zinc/17/39/07/191173907.db2.gz ULRBKBBMULLIHG-UHFFFAOYSA-N 0 0 324.428 3.582 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)C[C@H](C)C(=O)c2cccc(F)c2)o1 ZINC000072909066 191250164 /nfs/dbraw/zinc/25/01/64/191250164.db2.gz OQEHIWFUEZVRHC-AAEUAGOBSA-N 0 0 317.360 3.813 10 0 DHAERN Cc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(C)c2)cc1 ZINC000000516649 180811219 /nfs/dbraw/zinc/81/12/19/180811219.db2.gz JWBGWJDBUMELPE-ZHACJKMWSA-N 0 0 310.422 3.830 10 0 DHAERN C[C@H](NC(=O)OC(C)(C)C)C(=O)Sc1c[nH]c2ccccc21 ZINC000002583751 180937776 /nfs/dbraw/zinc/93/77/76/180937776.db2.gz UFUPNFHXLIUMHC-JTQLQIEISA-N 0 0 320.414 3.700 10 0 DHAERN Clc1ccc(C2=NN[C@@H](c3ccc4c(c3)OCCO4)C2)cc1 ZINC000073169935 191287888 /nfs/dbraw/zinc/28/78/88/191287888.db2.gz KBKLDEUOBGTCCR-OAHLLOKOSA-N 0 0 314.772 3.550 10 0 DHAERN Cc1nc2nc(C)cc(Nc3cccc(C(F)(F)F)c3)n2n1 ZINC000004057716 181067176 /nfs/dbraw/zinc/06/71/76/181067176.db2.gz YJTBZAIQVCAIKI-UHFFFAOYSA-N 0 0 307.279 3.504 10 0 DHAERN Cc1sc(-c2cc[nH]n2)cc1NC(=O)c1ccc2[nH]cnc2c1 ZINC000075519307 191484517 /nfs/dbraw/zinc/48/45/17/191484517.db2.gz MTFMVCJSYMJMAG-UHFFFAOYSA-N 0 0 323.381 3.575 10 0 DHAERN Cc1c(NC(=O)N[C@@H]2C[C@@H]2C)cccc1C(=O)Nc1ccccc1 ZINC000076037030 191557027 /nfs/dbraw/zinc/55/70/27/191557027.db2.gz SEBHOYUIJUCWRD-YVEFUNNKSA-N 0 0 323.396 3.777 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)CCC3)o1 ZINC000078799294 191935829 /nfs/dbraw/zinc/93/58/29/191935829.db2.gz VEMYSBSZSHXCEX-GFCCVEGCSA-N 0 0 312.369 3.990 10 0 DHAERN CC(C)COC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000005380606 181237015 /nfs/dbraw/zinc/23/70/15/181237015.db2.gz LZAASXZIMZLOOX-UHFFFAOYSA-N 0 0 311.381 3.681 10 0 DHAERN CCCCOC(=O)C[P@@](=O)(OCCCC)c1ccccc1 ZINC000005298251 181227779 /nfs/dbraw/zinc/22/77/79/181227779.db2.gz AJVDUWWVXBWTMZ-OAQYLSRUSA-N 0 0 312.346 3.750 10 0 DHAERN c1ccc(C[C@@H](c2ccccn2)n2nnc3ccccc32)cc1 ZINC000005331691 181230486 /nfs/dbraw/zinc/23/04/86/181230486.db2.gz WCDDQTRDCPOUGE-IBGZPJMESA-N 0 0 300.365 3.658 10 0 DHAERN CC(=C\c1ccccc1)/C=C1/N=C(c2cccc(F)c2)NC1=O ZINC000005494347 181249053 /nfs/dbraw/zinc/24/90/53/181249053.db2.gz SANDIGMCIBBVGJ-YAXRHUFXSA-N 0 0 306.340 3.690 10 0 DHAERN CC(C)(C)OC(=O)N1CCC[C@H](SCc2ccccn2)C1 ZINC000085333032 192490828 /nfs/dbraw/zinc/49/08/28/192490828.db2.gz IKMSDKOIRKVQDG-AWEZNQCLSA-N 0 0 308.447 3.714 10 0 DHAERN CCOC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C(C)C)cc2)C1 ZINC000081428235 192262458 /nfs/dbraw/zinc/26/24/58/192262458.db2.gz OFANFPJEIWIGSO-ATZDWAIDSA-N 0 0 315.457 3.799 10 0 DHAERN CCOC(=O)c1ccc(OC[C@@H](CC)OC(=O)C(C)(C)C)cc1 ZINC000005925748 181296432 /nfs/dbraw/zinc/29/64/32/181296432.db2.gz IJJFGDLUNHSJCN-CQSZACIVSA-N 0 0 322.401 3.610 10 0 DHAERN CCSc1nc2ccccc2n1CC(=O)NC1CCCCC1 ZINC000006147527 181316732 /nfs/dbraw/zinc/31/67/32/181316732.db2.gz DEUPQOBXJYXUSJ-UHFFFAOYSA-N 0 0 317.458 3.597 10 0 DHAERN CCOC(=O)[C@H]1CCCc2c3cc(OC(F)F)ccc3[nH]c21 ZINC000090470803 192923177 /nfs/dbraw/zinc/92/31/77/192923177.db2.gz HRNXWTWMHYIKIZ-NSHDSACASA-N 0 0 309.312 3.752 10 0 DHAERN C[C@@H](c1ccccc1C(F)(F)F)[N@@H+]1CCCC[C@@H]1C(=O)[O-] ZINC000006409287 181339417 /nfs/dbraw/zinc/33/94/17/181339417.db2.gz BWDRPOSNGDUAMA-GXFFZTMASA-N 0 0 301.308 3.706 10 0 DHAERN CC(=O)N1CCC(Nc2ccccc2CCc2ccccc2)CC1 ZINC000090759595 192929475 /nfs/dbraw/zinc/92/94/75/192929475.db2.gz YFAZOMFRCKOQHN-UHFFFAOYSA-N 0 0 322.452 3.895 10 0 DHAERN COc1ccccc1[C@@]1(Cl)C(=O)Nc2ccc(Cl)cc21 ZINC000091365353 193045818 /nfs/dbraw/zinc/04/58/18/193045818.db2.gz MTPJZZBCKGHYKO-HNNXBMFYSA-N 0 0 308.164 3.783 10 0 DHAERN Cc1ocnc1C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000091788905 193108245 /nfs/dbraw/zinc/10/82/45/193108245.db2.gz AILYERYSNISLAX-AWEZNQCLSA-N 0 0 324.302 3.883 10 0 DHAERN C[C@H](Cc1cccs1)N(C)c1ccc(Br)cn1 ZINC000093293824 334995655 /nfs/dbraw/zinc/99/56/55/334995655.db2.gz QGKYTUXJDKBMJD-SNVBAGLBSA-N 0 0 311.248 3.973 10 0 DHAERN CCC[C@@H]([NH3+])C(=O)NCc1ccc(Sc2ccccc2)cc1 ZINC000182672266 335000002 /nfs/dbraw/zinc/00/00/02/335000002.db2.gz FAZSYJJQSBIHJW-QGZVFWFLSA-N 0 0 314.454 3.581 10 0 DHAERN COc1ccc(/C=C\c2cc(OC)cc(OC)c2)c(OC)c1 ZINC000007999104 181517470 /nfs/dbraw/zinc/51/74/70/181517470.db2.gz JDBCWSHYEQUBLW-WAYWQWQTSA-N 0 0 300.354 3.891 10 0 DHAERN COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2)cc1OC ZINC000008493872 181559482 /nfs/dbraw/zinc/55/94/82/181559482.db2.gz YYFQHVMRKRCOJO-HNNXBMFYSA-N 0 0 316.788 3.796 10 0 DHAERN CC(C)(C)c1ccc(C(=O)NC(=S)NC2CCCC2)cc1 ZINC000008557308 181563731 /nfs/dbraw/zinc/56/37/31/181563731.db2.gz JFVAEZUTQTZSAJ-UHFFFAOYSA-N 0 0 304.459 3.531 10 0 DHAERN COC(=O)c1cc(C)ccc1NCCOc1ccc(Cl)cc1 ZINC000008703152 181575079 /nfs/dbraw/zinc/57/50/79/181575079.db2.gz KBTWXUIVJQRERJ-UHFFFAOYSA-N 0 0 319.788 3.926 10 0 DHAERN Cc1ccc(OCCn2c3ccccc3nc2C(C)(C)O)c(C)c1 ZINC000008785974 181586354 /nfs/dbraw/zinc/58/63/54/181586354.db2.gz XDBFKIWTWFNCQQ-UHFFFAOYSA-N 0 0 324.424 3.960 10 0 DHAERN CCC(CC)NC(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000011096755 181684700 /nfs/dbraw/zinc/68/47/00/181684700.db2.gz CEVXLZSYCTZJNN-UHFFFAOYSA-N 0 0 324.424 3.786 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2C(N)=O)cc1 ZINC000012026494 181724567 /nfs/dbraw/zinc/72/45/67/181724567.db2.gz BVRBYXCSTSXWKJ-CQSZACIVSA-N 0 0 324.424 3.726 10 0 DHAERN CC[C@@H]1CCCCN1C(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000012029598 181724589 /nfs/dbraw/zinc/72/45/89/181724589.db2.gz BBYXRFUWSBARGV-LJQANCHMSA-N 0 0 323.436 3.714 10 0 DHAERN C[C@@H]1[C@@H](C)CCC[C@@H]1NC(=O)c1cnc(Cl)c(Cl)c1 ZINC000015792244 182018440 /nfs/dbraw/zinc/01/84/40/182018440.db2.gz VITMZNRKMRVGQZ-SBMIAAHKSA-N 0 0 301.217 3.943 10 0 DHAERN CN(Cc1ccc(I)cc1)c1ccccc1 ZINC000016123599 182034837 /nfs/dbraw/zinc/03/48/37/182034837.db2.gz VHJFOMHXRYUZPP-UHFFFAOYSA-N 0 0 323.177 3.928 10 0 DHAERN CCc1ccc(NC(=O)[C@H](CC)n2nnc3ccccc32)cc1 ZINC000016895750 182062217 /nfs/dbraw/zinc/06/22/17/182062217.db2.gz OXCYTSSGNKQRLW-INIZCTEOSA-N 0 0 308.385 3.584 10 0 DHAERN CC[C@@H](Oc1ccc(C=O)cc1)C(=O)Nc1c(C)cccc1C ZINC000016896480 182062242 /nfs/dbraw/zinc/06/22/42/182062242.db2.gz SFAOLXMRIRWIPO-QGZVFWFLSA-N 0 0 311.381 3.912 10 0 DHAERN COc1ccc(Br)c(-c2nc3cc(N)ccc3[nH]2)c1 ZINC000019429014 182123120 /nfs/dbraw/zinc/12/31/20/182123120.db2.gz AXVXKNKDVFOHIR-UHFFFAOYSA-N 0 0 318.174 3.583 10 0 DHAERN Cc1ccc(NC(=O)c2ccccc2O)c(Br)c1 ZINC000019479565 182125367 /nfs/dbraw/zinc/12/53/67/182125367.db2.gz ODTRWMWTRXBZLO-UHFFFAOYSA-N 0 0 306.159 3.715 10 0 DHAERN N[C@H]1c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000019795646 182151000 /nfs/dbraw/zinc/15/10/00/182151000.db2.gz YODXIRNITDQEOA-AWEZNQCLSA-N 0 0 307.180 3.540 10 0 DHAERN Oc1ccc2c(c1)OC[C@H]2Nc1ccc(Br)cc1 ZINC000019923244 182165005 /nfs/dbraw/zinc/16/50/05/182165005.db2.gz SIKOBILCHCUAPK-CYBMUJFWSA-N 0 0 306.159 3.700 10 0 DHAERN NC(=S)c1ccc(Nc2cccc(Br)c2)cc1 ZINC000019866880 182158574 /nfs/dbraw/zinc/15/85/74/182158574.db2.gz PPSOUKNBYDMZAE-UHFFFAOYSA-N 0 0 307.216 3.827 10 0 DHAERN Nc1ccc2c(c1)CCN2Cc1ccccc1Br ZINC000019875025 182159277 /nfs/dbraw/zinc/15/92/77/182159277.db2.gz VYQLAVAMAQDYIT-UHFFFAOYSA-N 0 0 303.203 3.594 10 0 DHAERN Cc1cc(Cl)cc(C)c1OCC(=O)Nc1cccc(N)c1 ZINC000019994307 182175660 /nfs/dbraw/zinc/17/56/60/182175660.db2.gz VJWGHUPFSRLWRN-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN Cc1nn(C)c(C)c1CNc1ccc(Br)cc1F ZINC000020088259 182186172 /nfs/dbraw/zinc/18/61/72/182186172.db2.gz PVAKWHAQEPXGLW-UHFFFAOYSA-N 0 0 312.186 3.551 10 0 DHAERN C[C@H](Nc1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC000020299393 182203742 /nfs/dbraw/zinc/20/37/42/182203742.db2.gz ACFJFKAYJLLZCZ-NSHDSACASA-N 0 0 319.202 3.888 10 0 DHAERN COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)NC1CCCC1 ZINC000020301401 182204653 /nfs/dbraw/zinc/20/46/53/182204653.db2.gz IMCFMQAJPVKXPW-LLVKDONJSA-N 0 0 310.825 3.516 10 0 DHAERN Cc1cccc(C(=O)Nc2nc(-c3ccc(N)cc3)cs2)c1 ZINC000020335914 182209194 /nfs/dbraw/zinc/20/91/94/182209194.db2.gz ZROXOQYZBLDZIE-UHFFFAOYSA-N 0 0 309.394 3.953 10 0 DHAERN Nc1cc(Cl)ccc1NC(=O)COc1ccccc1Cl ZINC000020344515 182209683 /nfs/dbraw/zinc/20/96/83/182209683.db2.gz CZNZXEXRAMCNID-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Nc1cc(Cl)ccc1NC(=O)CCCOc1ccccc1 ZINC000020343921 182209725 /nfs/dbraw/zinc/20/97/25/182209725.db2.gz HLVHYFFTRBKTOJ-UHFFFAOYSA-N 0 0 304.777 3.720 10 0 DHAERN Cc1cccc(OCC(=O)Nc2ccc(Cl)c(N)c2)c1C ZINC000020344405 182209765 /nfs/dbraw/zinc/20/97/65/182209765.db2.gz QQXMUASXCKTUHA-UHFFFAOYSA-N 0 0 304.777 3.557 10 0 DHAERN Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2)c1 ZINC000020343791 182209775 /nfs/dbraw/zinc/20/97/75/182209775.db2.gz QMBHPAVMVAYVPO-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN Cc1ccc2[nH]cc(NC(=O)N(C)Cc3ccccc3)c(=O)c2c1 ZINC000020463591 182220849 /nfs/dbraw/zinc/22/08/49/182220849.db2.gz ZZMQZQIJIYKOTM-UHFFFAOYSA-N 0 0 321.380 3.500 10 0 DHAERN Nc1ccccc1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000020559257 182231873 /nfs/dbraw/zinc/23/18/73/182231873.db2.gz FNGXHTQIGKRBTK-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN C[C@@H]1C[C@H](C)CN(C(=O)c2cc3ccc4cccnc4c3[nH]2)C1 ZINC000020575417 182234864 /nfs/dbraw/zinc/23/48/64/182234864.db2.gz CEEMLDIZOYZILO-BETUJISGSA-N 0 0 307.397 3.834 10 0 DHAERN Cc1cc2nc(Cc3cccc(Cl)c3)c(=O)n(C)c2cc1C ZINC000020806716 182247845 /nfs/dbraw/zinc/24/78/45/182247845.db2.gz QRDNNIJDSOCPQV-UHFFFAOYSA-N 0 0 312.800 3.795 10 0 DHAERN CCCOc1ccc(C(=O)Nc2cccc(OC(C)=O)c2)cc1 ZINC000021025081 182261711 /nfs/dbraw/zinc/26/17/11/182261711.db2.gz GPZSSVOCAZNGMN-UHFFFAOYSA-N 0 0 313.353 3.653 10 0 DHAERN Cc1cccc(-n2ccnc(NCCC3=CCCCC3)c2=O)c1 ZINC000021536887 182278992 /nfs/dbraw/zinc/27/89/92/182278992.db2.gz YHRORCLXRPUGRG-UHFFFAOYSA-N 0 0 309.413 3.843 10 0 DHAERN Nc1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000021803903 182291305 /nfs/dbraw/zinc/29/13/05/182291305.db2.gz OZRWIEIMJMXOQL-UHFFFAOYSA-N 0 0 311.168 3.593 10 0 DHAERN CCCOc1c(Cl)cc(C(=O)N[C@@H](C)C(C)C)cc1OC ZINC000021871676 182295313 /nfs/dbraw/zinc/29/53/13/182295313.db2.gz AKFARWAFGPMWOI-NSHDSACASA-N 0 0 313.825 3.912 10 0 DHAERN C[C@@H](O)c1cccc2cc([C@@H]3CN(C(C)(C)C)C(=O)O3)oc21 ZINC000022053782 182306845 /nfs/dbraw/zinc/30/68/45/182306845.db2.gz NSCGUYORSXNXSZ-YGRLFVJLSA-N 0 0 303.358 3.778 10 0 in-vitro DHAERN Clc1nc(Cl)nc(-c2cccn2Cc2ccccc2)n1 ZINC000022116500 182309486 /nfs/dbraw/zinc/30/94/86/182309486.db2.gz MCHWEIQXYXLNES-UHFFFAOYSA-N 0 0 305.168 3.695 10 0 DHAERN CC(=O)N(Cc1ccccc1)[C@H](C(=S)NC(C)(C)C)C(C)C ZINC000022130329 182310103 /nfs/dbraw/zinc/31/01/03/182310103.db2.gz RNSCEWIQVKXYJJ-INIZCTEOSA-N 0 0 320.502 3.775 10 0 DHAERN Cc1cccc(N)c1C(=O)Nc1ccc(Br)cc1 ZINC000022166254 182311833 /nfs/dbraw/zinc/31/18/33/182311833.db2.gz TZMKOXSUHJTELP-UHFFFAOYSA-N 0 0 305.175 3.592 10 0 DHAERN COc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)NC(C)(C)C)CC2 ZINC000025206405 182404222 /nfs/dbraw/zinc/40/42/22/182404222.db2.gz BZLGYSABVKPFDN-HIFRSBDPSA-N 0 0 317.473 3.968 10 0 DHAERN CC1(C)Cc2nc(NC(=O)C=Cc3ccco3)sc2C(=O)C1 ZINC000033285510 182700755 /nfs/dbraw/zinc/70/07/55/182700755.db2.gz GDCOSNVLMOQEOM-WAYWQWQTSA-N 0 0 316.382 3.543 10 0 DHAERN Nc1onc(-c2ccco2)c1-c1cccc(Br)c1 ZINC000036765975 182842320 /nfs/dbraw/zinc/84/23/20/182842320.db2.gz POLQSQXAYDWKJI-UHFFFAOYSA-N 0 0 305.131 3.946 10 0 DHAERN Cc1cc(Br)cc(N)c1NC(=O)c1cccc(F)c1 ZINC000036739044 182839268 /nfs/dbraw/zinc/83/92/68/182839268.db2.gz NJPXPTWFYGHQGT-UHFFFAOYSA-N 0 0 323.165 3.731 10 0 DHAERN O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCN2 ZINC000037323131 182881821 /nfs/dbraw/zinc/88/18/21/182881821.db2.gz FYMRQACRQHSQRF-UHFFFAOYSA-N 0 0 317.186 3.669 10 0 DHAERN CCOc1nc(Nc2ccc(Br)cc2C)ccc1N ZINC000037067285 182865140 /nfs/dbraw/zinc/86/51/40/182865140.db2.gz LQWGABSSBSIWHL-UHFFFAOYSA-N 0 0 322.206 3.877 10 0 DHAERN CCS(=O)(=O)c1ccccc1N[C@@H](C)c1ccccc1C ZINC000037124529 182868373 /nfs/dbraw/zinc/86/83/73/182868373.db2.gz GSHKVMPBBWMJFB-AWEZNQCLSA-N 0 0 303.427 3.962 10 0 DHAERN COc1ccccc1[C@@](C)(O)c1ccccc1Br ZINC000037529287 182904377 /nfs/dbraw/zinc/90/43/77/182904377.db2.gz FZCWXRJKJWSJCQ-HNNXBMFYSA-N 0 0 307.187 3.714 10 0 DHAERN Cc1nc(COc2c(Cl)cc(Cl)cc2C=O)oc1C ZINC000037909505 182935812 /nfs/dbraw/zinc/93/58/12/182935812.db2.gz JQVCIDVGQFWYBX-UHFFFAOYSA-N 0 0 300.141 3.990 10 0 DHAERN O=C([O-])[C@H]([NH2+]C1CCCC1)c1ccc(SC(F)(F)F)cc1 ZINC000037969069 182945123 /nfs/dbraw/zinc/94/51/23/182945123.db2.gz FSYQXVHJHQWFDS-GFCCVEGCSA-N 0 0 319.348 3.956 10 0 DHAERN CCCC(CCC)(Nc1ccc(Br)cc1)C(N)=O ZINC000037944188 182941490 /nfs/dbraw/zinc/94/14/90/182941490.db2.gz ZDOSIGUCWRGGTL-UHFFFAOYSA-N 0 0 313.239 3.685 10 0 DHAERN CCOC(=O)c1sc(COc2ccc(CC)cc2)nc1C ZINC000038548345 183002564 /nfs/dbraw/zinc/00/25/64/183002564.db2.gz DOPSEZJSJFSQOT-UHFFFAOYSA-N 0 0 305.399 3.770 10 0 DHAERN Cc1cccc(NC(=O)c2cn(C)c3c(F)cccc3c2=O)c1C ZINC000039963059 183025051 /nfs/dbraw/zinc/02/50/51/183025051.db2.gz DYLNVMVZROHCLQ-UHFFFAOYSA-N 0 0 324.355 3.547 10 0 DHAERN CCCn1c(CCCCCNC(=O)C(C)C)nc2ccccc21 ZINC000040211718 183045283 /nfs/dbraw/zinc/04/52/83/183045283.db2.gz GYDPORRBIYPJNH-UHFFFAOYSA-N 0 0 315.461 3.931 10 0 DHAERN COCCn1c(Cc2ccccc2Cl)nc2ccccc21 ZINC000040225873 183047816 /nfs/dbraw/zinc/04/78/16/183047816.db2.gz HJIYCGUXUSNATL-UHFFFAOYSA-N 0 0 300.789 3.927 10 0 DHAERN COC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040249516 183049117 /nfs/dbraw/zinc/04/91/17/183049117.db2.gz VDIUQGGVRHMINR-UHFFFAOYSA-N 0 0 300.745 3.530 10 0 DHAERN O=C1CCCc2cc([C@@H](O)c3cccc(Cl)c3)ccc2N1 ZINC000040261213 183049183 /nfs/dbraw/zinc/04/91/83/183049183.db2.gz ONLRDTIOUOTSLC-KRWDZBQOSA-N 0 0 301.773 3.697 10 0 DHAERN Cc1ccccc1-c1nc2ccccc2n1CC(=O)NCC(C)C ZINC000040306554 183053271 /nfs/dbraw/zinc/05/32/71/183053271.db2.gz UOWOQPDZYUFGOM-UHFFFAOYSA-N 0 0 321.424 3.784 10 0 DHAERN Cc1cccc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)c1C ZINC000040311818 183053465 /nfs/dbraw/zinc/05/34/65/183053465.db2.gz APHBOHBUKVZODB-UHFFFAOYSA-N 0 0 320.392 3.565 10 0 DHAERN Cc1cc2nc(CCO)n(Cc3cccc(Cl)c3)c2cc1C ZINC000040310686 183053720 /nfs/dbraw/zinc/05/37/20/183053720.db2.gz NTYVFVICFRDSFB-UHFFFAOYSA-N 0 0 314.816 3.890 10 0 DHAERN C[C@H](Oc1ccccc1N)C(=O)c1ccc(Br)cc1 ZINC000040352976 183056339 /nfs/dbraw/zinc/05/63/39/183056339.db2.gz WAMGRIQFMVCUBW-JTQLQIEISA-N 0 0 320.186 3.682 10 0 DHAERN OCCCn1c2ccccc2nc1Cc1ccc(Cl)cc1 ZINC000040389370 183060058 /nfs/dbraw/zinc/06/00/58/183060058.db2.gz DWBWBKAVFHPRIX-UHFFFAOYSA-N 0 0 300.789 3.663 10 0 DHAERN Cc1cccc(OCc2nc3ccc(Cl)cc3n2CCO)c1 ZINC000040401081 183061460 /nfs/dbraw/zinc/06/14/60/183061460.db2.gz LSEYLVIUFGQPHA-UHFFFAOYSA-N 0 0 316.788 3.569 10 0 DHAERN COCCn1c(Cc2ccccc2)nc2cc(Cl)ccc21 ZINC000040404655 183062401 /nfs/dbraw/zinc/06/24/01/183062401.db2.gz XBGBOGLYCJBBBY-UHFFFAOYSA-N 0 0 300.789 3.927 10 0 DHAERN CCCn1c(CNC(=O)c2ccc(C)cc2C)nc2ccccc21 ZINC000040276197 183050346 /nfs/dbraw/zinc/05/03/46/183050346.db2.gz KJXGOLUPMZVOCI-UHFFFAOYSA-N 0 0 321.424 3.993 10 0 DHAERN COc1ccc(C)cc1Nc1ncnc(Nc2ccccc2)c1N ZINC000040684326 183117145 /nfs/dbraw/zinc/11/71/45/183117145.db2.gz PCODESXDSDJNHS-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN Cc1ccnc(Nc2ncnc(Oc3cc(C)cc(C)c3)c2N)c1 ZINC000040681245 183117313 /nfs/dbraw/zinc/11/73/13/183117313.db2.gz OWUDOIJQAAZRJN-UHFFFAOYSA-N 0 0 321.384 3.915 10 0 DHAERN COc1cccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)c1 ZINC000040688048 183117896 /nfs/dbraw/zinc/11/78/96/183117896.db2.gz RYONRUPRKPTWNE-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN CCNc1ncnc(N(CC)c2cccc3ccccc32)c1N ZINC000040701918 183119719 /nfs/dbraw/zinc/11/97/19/183119719.db2.gz HLJGXBIGAGYERE-UHFFFAOYSA-N 0 0 307.401 3.802 10 0 DHAERN Cc1ccc(Nc2ncnc(Nc3cccnc3)c2N)cc1C ZINC000040702819 183120137 /nfs/dbraw/zinc/12/01/37/183120137.db2.gz BIHZELGTNROOIY-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Nc1c(Nc2cc(F)ccc2F)ncnc1NC1CCCCC1 ZINC000040708733 183120907 /nfs/dbraw/zinc/12/09/07/183120907.db2.gz UJIFVSZDHWRMCM-UHFFFAOYSA-N 0 0 319.359 3.825 10 0 DHAERN COc1ccc(Nc2ncnc(Nc3ccc(C)cc3)c2N)cc1 ZINC000040782024 183133276 /nfs/dbraw/zinc/13/32/76/183133276.db2.gz KTOUMNNPZPHQRX-UHFFFAOYSA-N 0 0 321.384 3.863 10 0 DHAERN Cc1ccccc1Nc1ncnc(Nc2ccc(F)cc2)c1N ZINC000040781166 183133310 /nfs/dbraw/zinc/13/33/10/183133310.db2.gz GGJWOVRVRVBBIC-UHFFFAOYSA-N 0 0 309.348 3.994 10 0 DHAERN CC(C)CCNc1ncnc(N(CC(C)C)CC(C)C)c1N ZINC000040735837 183126666 /nfs/dbraw/zinc/12/66/66/183126666.db2.gz PATQKHPMBSFTNO-UHFFFAOYSA-N 0 0 307.486 3.635 10 0 DHAERN Cc1cccc(Nc2ncnc(Nc3ncccc3C)c2N)c1 ZINC000040758030 183129697 /nfs/dbraw/zinc/12/96/97/183129697.db2.gz HYAYQSJIJFJHMC-UHFFFAOYSA-N 0 0 306.373 3.558 10 0 DHAERN Cc1cccc(Nc2ncnc(N(C)c3ccccc3)c2N)c1 ZINC000040757743 183129744 /nfs/dbraw/zinc/12/97/44/183129744.db2.gz JFGBVXHPEFVXPJ-UHFFFAOYSA-N 0 0 305.385 3.879 10 0 DHAERN CCCCc1nnc(NC(=O)/C=C/c2ccc(C)cc2)s1 ZINC000040883557 183146479 /nfs/dbraw/zinc/14/64/79/183146479.db2.gz LRGLWMUMHQTSQH-ZHACJKMWSA-N 0 0 301.415 3.841 10 0 DHAERN Cc1cccc(C(C)C)c1NC(=S)NC(=O)c1ccco1 ZINC000040898325 183147010 /nfs/dbraw/zinc/14/70/10/183147010.db2.gz WKJLKLHKIMMBLJ-UHFFFAOYSA-N 0 0 302.399 3.838 10 0 DHAERN CCCCCCNC(=O)CCc1ccc(OCC)c(OC)c1 ZINC000040999890 183155263 /nfs/dbraw/zinc/15/52/63/183155263.db2.gz AUVHTSQDRVVRPP-UHFFFAOYSA-N 0 0 307.434 3.723 10 0 DHAERN CCCSc1nnc(NC(=O)c2ccc(CC)cc2)s1 ZINC000041019333 183156948 /nfs/dbraw/zinc/15/69/48/183156948.db2.gz JXPABFYDVIAOAW-UHFFFAOYSA-N 0 0 307.444 3.855 10 0 DHAERN Cc1ccc2c(NC(=O)COc3ccccc3)ccnc2c1C ZINC000041057967 183161004 /nfs/dbraw/zinc/16/10/04/183161004.db2.gz QGJRIFIBKOUHTF-UHFFFAOYSA-N 0 0 306.365 3.869 10 0 DHAERN O=C(Nc1ccnc2c1cccc2C(F)(F)F)c1ccccn1 ZINC000041057659 183161084 /nfs/dbraw/zinc/16/10/84/183161084.db2.gz VAKAIFUJOJCHKP-UHFFFAOYSA-N 0 0 317.270 3.901 10 0 DHAERN O=C(COc1ccccc1)Nc1ccnc2c(F)cc(F)cc12 ZINC000041058152 183161086 /nfs/dbraw/zinc/16/10/86/183161086.db2.gz YTTYUCDWFNWDBX-UHFFFAOYSA-N 0 0 314.291 3.531 10 0 DHAERN COc1cc(C)c(C(=O)c2ccc(Br)o2)cc1C ZINC000041542854 183201221 /nfs/dbraw/zinc/20/12/21/183201221.db2.gz OESHVZLPIFPOOK-UHFFFAOYSA-N 0 0 309.159 3.899 10 0 DHAERN Nc1ccc(-c2csc(Cc3ccc4c(c3)OCO4)n2)cc1 ZINC000041582524 183206531 /nfs/dbraw/zinc/20/65/31/183206531.db2.gz JUWGNSQZABJMEQ-UHFFFAOYSA-N 0 0 310.378 3.712 10 0 DHAERN COc1ccc(OC)c(-c2csc(Br)n2)c1 ZINC000041507399 183194737 /nfs/dbraw/zinc/19/47/37/183194737.db2.gz HGJLNEBYXOJKEL-UHFFFAOYSA-N 0 0 300.177 3.590 10 0 DHAERN CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1C ZINC000041779518 183219783 /nfs/dbraw/zinc/21/97/83/183219783.db2.gz UZBIANWZAHZREG-RDTXWAMCSA-N 0 0 324.424 3.778 10 0 DHAERN CN(Cc1cc(Br)cs1)c1ccccc1C=O ZINC000042399697 183264448 /nfs/dbraw/zinc/26/44/48/183264448.db2.gz CBEGDAICCHTKIT-UHFFFAOYSA-N 0 0 310.216 3.960 10 0 DHAERN CC[C@@H](C)N(CCOC)CC(=O)c1cc(Cl)sc1Cl ZINC000042587110 183287946 /nfs/dbraw/zinc/28/79/46/183287946.db2.gz GHWVPGUHBMLIRE-SECBINFHSA-N 0 0 324.273 3.985 10 0 DHAERN Nc1ccc(CN(CC(F)(F)F)C2CC2)c(Br)c1 ZINC000042738617 183304011 /nfs/dbraw/zinc/30/40/11/183304011.db2.gz UXGNQWMDAGVARW-UHFFFAOYSA-N 0 0 323.156 3.558 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000043066781 183333546 /nfs/dbraw/zinc/33/35/46/183333546.db2.gz NQRQBNIUPHJHHE-KGLIPLIRSA-N 0 0 315.417 3.761 10 0 DHAERN Cc1csc(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000043242014 183346663 /nfs/dbraw/zinc/34/66/63/183346663.db2.gz PRLZXBQXVGHZHS-DTWKUNHWSA-N 0 0 307.341 3.694 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N[C@H](C)CCc2ccc(O)cc2)o1 ZINC000043719962 183383638 /nfs/dbraw/zinc/38/36/38/183383638.db2.gz QSEKIOIRKLIKGL-OCCSQVGLSA-N 0 0 316.401 3.675 10 0 DHAERN COc1ccc(Br)cc1CC(=O)c1ccccc1 ZINC000049598158 183746316 /nfs/dbraw/zinc/74/63/16/183746316.db2.gz UPXDDVFBCIZEAF-UHFFFAOYSA-N 0 0 305.171 3.883 10 0 DHAERN Nc1cc(F)ccc1OCc1cc(Br)cs1 ZINC000052065108 183849480 /nfs/dbraw/zinc/84/94/80/183849480.db2.gz NZZXDNWNPGVZLA-UHFFFAOYSA-N 0 0 302.168 3.811 10 0 DHAERN COc1cccc([C@H](O)Cc2sccc2Br)c1 ZINC000053781359 183912575 /nfs/dbraw/zinc/91/25/75/183912575.db2.gz KPDIZNKJEVBGIW-GFCCVEGCSA-N 0 0 313.216 3.795 10 0 DHAERN COc1cccc(OCCNc2ccccc2Br)c1 ZINC000053565500 183906709 /nfs/dbraw/zinc/90/67/09/183906709.db2.gz NIGFIIDDIXROII-UHFFFAOYSA-N 0 0 322.202 3.949 10 0 DHAERN Nc1ccccc1[C@@H](O)CSc1cccc(Br)c1 ZINC000055306986 183978133 /nfs/dbraw/zinc/97/81/33/183978133.db2.gz QFXHDZHMOIFPIG-AWEZNQCLSA-N 0 0 324.243 3.857 10 0 DHAERN O=C(Cc1cccc(F)c1)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000055274481 183975960 /nfs/dbraw/zinc/97/59/60/183975960.db2.gz SBDFCSUTAQEJAE-AAEUAGOBSA-N 0 0 303.299 3.606 10 0 DHAERN Cc1ccc(-c2cc(=O)[nH]c(Nc3ccc(C)c(F)c3)n2)cc1 ZINC000057342071 184034430 /nfs/dbraw/zinc/03/44/30/184034430.db2.gz SYFITWYVYDVUCB-UHFFFAOYSA-N 0 0 309.344 3.936 10 0 DHAERN C[C@@H](c1cccc(Br)c1)N1C(=O)CC(C)(C)CC1=O ZINC000058003721 184066230 /nfs/dbraw/zinc/06/62/30/184066230.db2.gz CYTDNORMISGMGQ-JTQLQIEISA-N 0 0 324.218 3.685 10 0 DHAERN C[C@H](NC(=O)Nc1ccncc1)c1cccc(Br)c1 ZINC000059306285 184136855 /nfs/dbraw/zinc/13/68/55/184136855.db2.gz DJOUQIHWJLXKQA-JTQLQIEISA-N 0 0 320.190 3.727 10 0 DHAERN CN(C)c1nc(Cl)nc(Nc2cc(Cl)ccc2Cl)n1 ZINC000061534345 184172304 /nfs/dbraw/zinc/17/23/04/184172304.db2.gz CNWGXAOSFWEZCG-UHFFFAOYSA-N 0 0 318.595 3.641 10 0 DHAERN Cc1nc(Cc2cccc(Br)c2)nc(N)c1C(C)C ZINC000061687331 184183036 /nfs/dbraw/zinc/18/30/36/184183036.db2.gz WSTXSTKQCBUWNR-UHFFFAOYSA-N 0 0 320.234 3.844 10 0 DHAERN C[C@@H](O)c1ccc(N(C)CC(F)(F)F)c(Br)c1 ZINC000061695715 184183342 /nfs/dbraw/zinc/18/33/42/184183342.db2.gz MZULVDWFIFZFBI-SSDOTTSWSA-N 0 0 312.129 3.501 10 0 DHAERN C[C@H](O)c1ccc(N(C)CC(C)(C)C)c(Br)c1 ZINC000061696877 184183943 /nfs/dbraw/zinc/18/39/43/184183943.db2.gz RZJAPUZSMLLXEK-JTQLQIEISA-N 0 0 300.240 3.985 10 0 DHAERN CCc1ccc(N(C)C(=O)c2ccc(Br)cn2)cc1 ZINC000061874529 184191439 /nfs/dbraw/zinc/19/14/39/184191439.db2.gz ATLWOOFIYIZCSB-UHFFFAOYSA-N 0 0 319.202 3.683 10 0 DHAERN CC(C)N(CC(F)(F)F)c1cc(Cl)ccc1C(N)=S ZINC000062788403 184253248 /nfs/dbraw/zinc/25/32/48/184253248.db2.gz SLPKMUPJLHNUDQ-UHFFFAOYSA-N 0 0 310.772 3.751 10 0 DHAERN CCN1CCCc2cc(C(=O)NCc3cccs3)sc21 ZINC000065226031 184315489 /nfs/dbraw/zinc/31/54/89/184315489.db2.gz YYXUVWYNROKBBC-UHFFFAOYSA-N 0 0 306.456 3.512 10 0 DHAERN COc1cc2c(cc1[C@@H]1CC(=O)Nc3cc(O)c(C)cc31)CCC2 ZINC000065488383 184352911 /nfs/dbraw/zinc/35/29/11/184352911.db2.gz WXTORMJVMDFFBY-CQSZACIVSA-N 0 0 323.392 3.672 10 0 DHAERN CC(=O)Nc1ccc2c(c1)[nH]nc2-c1cc2ccc(C)cc2[nH]1 ZINC000066066391 184386636 /nfs/dbraw/zinc/38/66/36/184386636.db2.gz MLKKAMDCGUDSAG-UHFFFAOYSA-N 0 0 304.353 3.978 10 0 DHAERN Cc1ccsc1-c1nn2c(nnc2-c2ccsc2)s1 ZINC000066087708 184388201 /nfs/dbraw/zinc/38/82/01/184388201.db2.gz FNTABOHYOLOWRM-UHFFFAOYSA-N 0 0 304.425 3.951 10 0 DHAERN COc1ccc(-c2ccc(C(=O)N3CCCC3)o2)c2cccnc12 ZINC000067851566 184488754 /nfs/dbraw/zinc/48/87/54/184488754.db2.gz RZKZKVGUNRKJBI-UHFFFAOYSA-N 0 0 322.364 3.739 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)NCC3(C4CC4)CC3)C2)n1 ZINC000152265748 196798101 /nfs/dbraw/zinc/79/81/01/196798101.db2.gz KNZSTIFQCRYOLH-CYBMUJFWSA-N 0 0 319.474 3.531 10 0 DHAERN Cc1ccccc1-c1nc(Br)c(Br)[nH]1 ZINC000214480906 257132590 /nfs/dbraw/zinc/13/25/90/257132590.db2.gz QJDDBWKAQZBURC-UHFFFAOYSA-N 0 0 315.996 3.910 10 0 DHAERN CC[C@@H](NC(=O)c1cc(Cl)ncc1Br)C(C)C ZINC000290015535 131445139 /nfs/dbraw/zinc/44/51/39/131445139.db2.gz FAOXWWQSMQLJPP-SNVBAGLBSA-N 0 0 319.630 3.662 10 0 DHAERN Cc1ccc(Oc2ncnc(N3CCC(C)CC3)c2N)cc1C ZINC000040733175 134720701 /nfs/dbraw/zinc/72/07/01/134720701.db2.gz USXHSBYDHIUHCR-UHFFFAOYSA-N 0 0 312.417 3.704 10 0 DHAERN C[C@H]1SCCN(c2ncc(Br)cc2Cl)[C@H]1C ZINC000300083068 229466348 /nfs/dbraw/zinc/46/63/48/229466348.db2.gz FWLIMBHYMFUSNN-JGVFFNPUSA-N 0 0 321.671 3.828 10 0 DHAERN C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000172180196 332818407 /nfs/dbraw/zinc/81/84/07/332818407.db2.gz LLRYJDOZOXVEBS-WCFLWFBJSA-N 0 0 306.372 3.985 10 0 DHAERN CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000175607667 332898666 /nfs/dbraw/zinc/89/86/66/332898666.db2.gz CHTAVITUKJLVDZ-WBAXXEDZSA-N 0 0 317.429 3.648 10 0 DHAERN CC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000067576924 331459441 /nfs/dbraw/zinc/45/94/41/331459441.db2.gz VVICNZROTKGKBN-SNVBAGLBSA-N 0 0 309.797 3.562 10 0 DHAERN C[C@@H](Nc1ccccc1S(=O)(=O)C(F)(F)F)c1ccco1 ZINC000035238127 331488933 /nfs/dbraw/zinc/48/89/33/331488933.db2.gz GVNDUZBVKTYMPF-SECBINFHSA-N 0 0 319.304 3.746 10 0 DHAERN Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 ZINC000028665393 331608680 /nfs/dbraw/zinc/60/86/80/331608680.db2.gz JBLOLJMXTNTVTL-QGZVFWFLSA-N 0 0 323.392 3.598 10 0 DHAERN Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000176099360 332923143 /nfs/dbraw/zinc/92/31/43/332923143.db2.gz MHTWAHWTNRJMRR-SJORKVTESA-N 0 0 324.424 3.559 10 0 DHAERN Cc1cc(=O)n(C)cc1NC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000176099394 332923177 /nfs/dbraw/zinc/92/31/77/332923177.db2.gz MHTWAHWTNRJMRR-IRXDYDNUSA-N 0 0 324.424 3.559 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)/C=C\c2ccccc2)no1 ZINC000255168040 331721264 /nfs/dbraw/zinc/72/12/64/331721264.db2.gz KBLPXNCBHURLTJ-WOLCWHLNSA-N 0 0 311.385 3.570 10 0 DHAERN CC(C)c1nc([C@H]2CCCN2C(=O)/C=C\c2ccccc2)no1 ZINC000255168039 331721377 /nfs/dbraw/zinc/72/13/77/331721377.db2.gz KBLPXNCBHURLTJ-JQPIKURYSA-N 0 0 311.385 3.570 10 0 DHAERN CC(C)[C@@]1(C)C[C@H]1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000186641656 332940602 /nfs/dbraw/zinc/94/06/02/332940602.db2.gz XIVIZIZTGLXLTK-SUMWQHHRSA-N 0 0 317.433 3.515 10 0 DHAERN C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)[C@H]([NH3+])c1ccccc1 ZINC000130115747 332022903 /nfs/dbraw/zinc/02/29/03/332022903.db2.gz LHQIBGQLLCYWSJ-BONVTDFDSA-N 0 0 306.768 3.754 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)N2CCn3cccc3[C@@H]2C)cc1F ZINC000088785174 332058032 /nfs/dbraw/zinc/05/80/32/332058032.db2.gz IUPFFOOYBQRSKS-KBPBESRZSA-N 0 0 315.392 3.783 10 0 DHAERN O=C(c1cccc(-c2ccoc2)c1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000089760081 332076665 /nfs/dbraw/zinc/07/66/65/332076665.db2.gz SLRCZWFPIJRXSD-ROUUACIJSA-N 0 0 311.381 3.730 10 0 DHAERN COc1c(CNc2ccccc2Cc2ccccc2)c(C)nn1C ZINC000092143259 332112297 /nfs/dbraw/zinc/11/22/97/332112297.db2.gz DDBOHAQBSNIMDU-UHFFFAOYSA-N 0 0 321.424 3.940 10 0 DHAERN CSCCCCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000181295757 332189786 /nfs/dbraw/zinc/18/97/86/332189786.db2.gz DVRQAXQHXQXQSZ-BBRMVZONSA-N 0 0 306.475 3.671 10 0 DHAERN CCN(C(=O)[C@@H]1CC[C@H](C)O1)[C@@H](C)c1cc2ccccc2o1 ZINC000150793988 332195608 /nfs/dbraw/zinc/19/56/08/332195608.db2.gz JYXWNNHGIPMZBN-XEZPLFJOSA-N 0 0 301.386 3.910 10 0 DHAERN COc1ccc([C@@H](C)NC(=O)[C@@H](C)c2ccccc2)cc1OC ZINC000120024342 332381326 /nfs/dbraw/zinc/38/13/26/332381326.db2.gz HSXQFQNHLLBFFN-UONOGXRCSA-N 0 0 313.397 3.685 10 0 DHAERN CCN(CC)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000122946732 332416120 /nfs/dbraw/zinc/41/61/20/332416120.db2.gz XIFLGLQEPYQPSN-OAHLLOKOSA-N 0 0 302.418 3.874 10 0 DHAERN Nc1ccc2c(c1)CCC[C@@H]2Nc1ccc(C(F)(F)F)nn1 ZINC000261833315 332466997 /nfs/dbraw/zinc/46/69/97/332466997.db2.gz BMCXPEXVDCDUGM-LBPRGKRZSA-N 0 0 308.307 3.567 10 0 DHAERN O=C(N[C@H]1CCCC[C@@H]1CO)C1CCC(c2ccccc2)CC1 ZINC000151010636 332477028 /nfs/dbraw/zinc/47/70/28/332477028.db2.gz XQMBRBLKFLUSBK-GMNCBBECSA-N 0 0 315.457 3.628 10 0 DHAERN O=C(NCc1ccccc1)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000151503774 332581061 /nfs/dbraw/zinc/58/10/61/332581061.db2.gz CVGHTTJBDDSVKG-OAHLLOKOSA-N 0 0 322.330 3.659 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)N1CC[C@H](OCC(C)C)C1 ZINC000151553408 332587084 /nfs/dbraw/zinc/58/70/84/332587084.db2.gz CIDUSBGJZLCEQF-HOTGVXAUSA-N 0 0 304.434 3.513 10 0 DHAERN COc1ccc([C@@H](C)C(=O)Nc2cc(CC(C)(C)C)[nH]n2)cc1 ZINC000151727904 332608203 /nfs/dbraw/zinc/60/82/03/332608203.db2.gz PJRHWGGCSYZSNW-GFCCVEGCSA-N 0 0 315.417 3.749 10 0 DHAERN C[C@@H]1CCC[C@@H]1CC(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000185974434 332747102 /nfs/dbraw/zinc/74/71/02/332747102.db2.gz AWMWSNTUDBHBRK-TZMCWYRMSA-N 0 0 317.433 3.659 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOc3ccncc32)cc1 ZINC000178385211 333009566 /nfs/dbraw/zinc/00/95/66/333009566.db2.gz ZXKTYNYFVOSAJX-IRXDYDNUSA-N 0 0 322.408 3.734 10 0 DHAERN CC[C@@](C)(CCO)NC(=O)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000178423395 333011343 /nfs/dbraw/zinc/01/13/43/333011343.db2.gz IIKAPXOELMVTQS-KDOFPFPSSA-N 0 0 306.450 3.721 10 0 DHAERN CC(C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1)=C1CCCC1 ZINC000176676460 333117753 /nfs/dbraw/zinc/11/77/53/333117753.db2.gz TVHZVXCIXVTUSV-OAHLLOKOSA-N 0 0 309.413 3.940 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)c3cccc(C)c3Cl)C2)c1 ZINC000179072907 333146055 /nfs/dbraw/zinc/14/60/55/333146055.db2.gz SYNKYRYQUFMIBZ-CQSZACIVSA-N 0 0 317.820 3.631 10 0 DHAERN Cc1cnccc1CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000188065709 333158653 /nfs/dbraw/zinc/15/86/53/333158653.db2.gz OZIQGWBSBNJKSK-HNNXBMFYSA-N 0 0 304.393 3.963 10 0 DHAERN C[C@H](C(=O)N[C@H]1COc2ccccc21)c1cn(C)c2ccccc12 ZINC000185191077 333205653 /nfs/dbraw/zinc/20/56/53/333205653.db2.gz GQYHOAPTDYZBDG-GUYCJALGSA-N 0 0 320.392 3.532 10 0 DHAERN COCc1ccccc1C(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182219924 333205752 /nfs/dbraw/zinc/20/57/52/333205752.db2.gz PCCRIXBONWNVPW-IFXJQAMLSA-N 0 0 309.409 3.805 10 0 DHAERN CC1(CC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CCCCC1 ZINC000187734312 333236963 /nfs/dbraw/zinc/23/69/63/333236963.db2.gz FBOIBKICFDCCOC-HOTGVXAUSA-N 0 0 321.486 3.643 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000188406947 333246660 /nfs/dbraw/zinc/24/66/60/333246660.db2.gz YOWMMILQYKEUQW-MFKMUULPSA-N 0 0 301.308 3.545 10 0 DHAERN C[C@H](COCc1ccccc1)Nc1ccc(Br)cn1 ZINC000390693732 333315675 /nfs/dbraw/zinc/31/56/75/333315675.db2.gz BSNZNYGSXKKUOI-GFCCVEGCSA-N 0 0 321.218 3.861 10 0 DHAERN Cc1n[nH]c(C)c1[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000110051915 333326264 /nfs/dbraw/zinc/32/62/64/333326264.db2.gz AJSQBNCIYAKSFK-YUMQZZPRSA-N 0 0 311.838 3.722 10 0 DHAERN Cc1cccc(CCNC(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000109896454 333326946 /nfs/dbraw/zinc/32/69/46/333326946.db2.gz VBGPBETUNGMSMV-IBGZPJMESA-N 0 0 308.425 3.914 10 0 DHAERN O=C(c1cc(Cl)ccc1Cl)N1CCNCc2ccccc21 ZINC000062818397 333337445 /nfs/dbraw/zinc/33/74/45/333337445.db2.gz BJJCPURKQBPPLF-UHFFFAOYSA-N 0 0 321.207 3.743 10 0 DHAERN C[C@@H]1COC[C@@H](C)N1C(=O)CCCCCc1ccc(F)cc1 ZINC000188210181 333360992 /nfs/dbraw/zinc/36/09/92/333360992.db2.gz GSYPDBVHHNPXMZ-HUUCEWRRSA-N 0 0 307.409 3.564 10 0 DHAERN C[C@H]1OCCC[C@@H]1C(=O)NC1CCC(c2ccccc2)CC1 ZINC000188267306 333362513 /nfs/dbraw/zinc/36/25/13/333362513.db2.gz GOZQLJRRPYHWHK-LTDKPHRXSA-N 0 0 301.430 3.644 10 0 DHAERN CC(C)C[C@H](CO)N(C)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000188367626 333364459 /nfs/dbraw/zinc/36/44/59/333364459.db2.gz RMXLSXIYWCNVKI-GHMZBOCLSA-N 0 0 318.870 3.511 10 0 DHAERN C[C@@H](NC(=O)c1cn2ccnc2s1)c1ccc(F)cc1Cl ZINC000188431322 333366275 /nfs/dbraw/zinc/36/62/75/333366275.db2.gz WHAZYABQQSTATP-MRVPVSSYSA-N 0 0 323.780 3.679 10 0 DHAERN CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2CCCO[C@@H]2C)o1 ZINC000188491317 333368589 /nfs/dbraw/zinc/36/85/89/333368589.db2.gz JSVBUQQNXCBZMN-SRABZTEZSA-N 0 0 319.445 3.957 10 0 DHAERN Cc1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cc(Cl)n1 ZINC000125685166 333513401 /nfs/dbraw/zinc/51/34/01/333513401.db2.gz JRZGUUKAEGUAKU-UHFFFAOYSA-N 0 0 320.742 3.894 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000152232895 333648937 /nfs/dbraw/zinc/64/89/37/333648937.db2.gz KVEFACIBVTZUSP-CABCVRRESA-N 0 0 303.450 3.692 10 0 DHAERN CCOC(=O)c1nc2cc(Br)ccc2cc1Cl ZINC000299888961 334258611 /nfs/dbraw/zinc/25/86/11/334258611.db2.gz BFDMXWSMIHFWKF-UHFFFAOYSA-N 0 0 314.566 3.827 10 0 DHAERN COc1cc(N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)ccc1F ZINC000187743522 334270725 /nfs/dbraw/zinc/27/07/25/334270725.db2.gz BRTOVEXQBGYIHW-QWHCGFSZSA-N 0 0 316.376 3.512 10 0 DHAERN C[C@H](NC(=O)N1CC2(CCCC2)OC(C)(C)C1)c1cccs1 ZINC000187750953 334271677 /nfs/dbraw/zinc/27/16/77/334271677.db2.gz GVSDPGPMLUFEKN-ZDUSSCGKSA-N 0 0 322.474 3.942 10 0 DHAERN C[C@H](NS(=O)(=O)c1cccs1)c1ccc(F)c(Cl)c1 ZINC000048960271 334303420 /nfs/dbraw/zinc/30/34/20/334303420.db2.gz MQXLNJFAWMCWMM-QMMMGPOBSA-N 0 0 319.810 3.580 10 0 DHAERN CCCC[C@H](CC)CNC(=O)N1CCC[C@@H](n2cc(C)cn2)C1 ZINC000111790056 334357387 /nfs/dbraw/zinc/35/73/87/334357387.db2.gz ORAHLKFKJBYCOH-DLBZAZTESA-N 0 0 320.481 3.754 10 0 DHAERN COC(=O)[C@H]1CCCN1Cc1sc2ccccc2c1Cl ZINC000050050131 334363526 /nfs/dbraw/zinc/36/35/26/334363526.db2.gz FCVOVOIXRCAGPZ-LLVKDONJSA-N 0 0 309.818 3.692 10 0 DHAERN CC[N@H+](CCNC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000102066689 334375628 /nfs/dbraw/zinc/37/56/28/334375628.db2.gz XFPBFMUZDSZRIH-ZDUSSCGKSA-N 0 0 323.868 3.527 10 0 DHAERN CCCCCN(C(=O)[C@H](C)NC(=O)Nc1ccccc1)C(C)C ZINC000112875576 334728952 /nfs/dbraw/zinc/72/89/52/334728952.db2.gz ZIORTSIFXMBOEK-HNNXBMFYSA-N 0 0 319.449 3.624 10 0 DHAERN CC(C)[C@H]1N(c2ncnc3c4ccccc4oc32)C[C@]12CCCO2 ZINC000328752214 334751839 /nfs/dbraw/zinc/75/18/39/334751839.db2.gz NHHMROWKGPQXMP-IEBWSBKVSA-N 0 0 323.396 3.770 10 0 DHAERN CC[C@]1(CO)CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000189310691 334890275 /nfs/dbraw/zinc/89/02/75/334890275.db2.gz MIPMQEGWEOKXNY-QWFCFKBJSA-N 0 0 315.457 3.677 10 0 DHAERN Cc1nc2n(n1)CCC[C@H]2Nc1cc(C)nc2c(F)cccc12 ZINC000129128232 334902173 /nfs/dbraw/zinc/90/21/73/334902173.db2.gz WVSIFMDWDHOQHW-CQSZACIVSA-N 0 0 311.364 3.529 10 0 DHAERN CC(C)c1ccc([C@H](C)NC(=O)NCCc2nccs2)cc1 ZINC000051339076 335715010 /nfs/dbraw/zinc/71/50/10/335715010.db2.gz NTDVALCQTMBTKD-ZDUSSCGKSA-N 0 0 317.458 3.869 10 0 DHAERN Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)N[C@@H](C)C(C)C ZINC000051646820 335757511 /nfs/dbraw/zinc/75/75/11/335757511.db2.gz FDZZZPCICOBDJS-AWEZNQCLSA-N 0 0 319.449 3.547 10 0 DHAERN COc1ccccc1-c1noc(CCOc2ccccc2F)n1 ZINC000113703556 335768872 /nfs/dbraw/zinc/76/88/72/335768872.db2.gz STYBIHMCJRXSJG-UHFFFAOYSA-N 0 0 314.316 3.506 10 0 DHAERN CC[C@H](C)[C@@H](O)CNC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000114912794 335833895 /nfs/dbraw/zinc/83/38/95/335833895.db2.gz ZNQLXPWOAWVBLJ-DEYYWGMASA-N 0 0 314.429 3.607 10 0 DHAERN Nc1ccccc1-c1nc(-c2cccc(Br)c2)no1 ZINC000034973394 335899689 /nfs/dbraw/zinc/89/96/89/335899689.db2.gz BBKJRGFJVQFFGC-UHFFFAOYSA-N 0 0 316.158 3.748 10 0 DHAERN O=C(Nc1ccc(NC2CCOCC2)cc1)[C@@H]1CCCCS1 ZINC000329658159 336029401 /nfs/dbraw/zinc/02/94/01/336029401.db2.gz NNFBDWNDZUWYJH-INIZCTEOSA-N 0 0 320.458 3.502 10 0 DHAERN COc1ccc([C@@H](C)C(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1 ZINC000167258745 336030410 /nfs/dbraw/zinc/03/04/10/336030410.db2.gz YFCTZELUOCKSPG-DNVCBOLYSA-N 0 0 324.424 3.866 10 0 DHAERN C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)CCS1 ZINC000192432604 336032089 /nfs/dbraw/zinc/03/20/89/336032089.db2.gz VIFXZFOUWYBYPQ-MLGOLLRUSA-N 0 0 322.449 3.740 10 0 DHAERN CC(C)c1ncsc1NC(=O)N1C[C@]2(CCCO2)[C@H]1C(C)C ZINC000333061151 336197544 /nfs/dbraw/zinc/19/75/44/336197544.db2.gz DFRXCTZVRDYKLE-CZUORRHYSA-N 0 0 323.462 3.688 10 0 DHAERN CC1(NC(=O)NC2CCC3(CCOCC3)CC2)CCCCC1 ZINC000333351715 336202369 /nfs/dbraw/zinc/20/23/69/336202369.db2.gz VWBDEHIJGJUHKD-UHFFFAOYSA-N 0 0 308.466 3.748 10 0 DHAERN CCCc1csc(NC(=O)N2C[C@@]3(CCCO3)[C@@H]2C(C)C)n1 ZINC000333473380 336204425 /nfs/dbraw/zinc/20/44/25/336204425.db2.gz GFMWNYWLDGUDGV-BBRMVZONSA-N 0 0 323.462 3.517 10 0 DHAERN COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000043721406 336271345 /nfs/dbraw/zinc/27/13/45/336271345.db2.gz YFSNOJISOFNPHG-RYUDHWBXSA-N 0 0 320.364 3.857 10 0 DHAERN CCC[C@@H]1C[C@@H]1Nc1ccc(C(=O)N2CCC(C)CC2)cn1 ZINC000301440746 336306931 /nfs/dbraw/zinc/30/69/31/336306931.db2.gz MEXIPSKMEXLBRG-ZBFHGGJFSA-N 0 0 301.434 3.554 10 0 DHAERN CCC[C@H]1C[C@H]1Nc1ncccc1C(=O)N1CCc2ccccc21 ZINC000301457793 336307996 /nfs/dbraw/zinc/30/79/96/336307996.db2.gz SNZIXVSAIPBXIU-DOTOQJQBSA-N 0 0 321.424 3.885 10 0 DHAERN CCc1cnc(CNc2ccc(-c3ccc(F)cc3)nn2)s1 ZINC000301468259 336308771 /nfs/dbraw/zinc/30/87/71/336308771.db2.gz NBXIIVNYBSYHQE-UHFFFAOYSA-N 0 0 314.389 3.914 10 0 DHAERN COC(=O)C(C)(C)C(C)(C)Nc1ncnc2cc(Cl)ccc21 ZINC000301569973 336315645 /nfs/dbraw/zinc/31/56/45/336315645.db2.gz NNJODECQQAZPRY-UHFFFAOYSA-N 0 0 321.808 3.673 10 0 DHAERN CN(c1ccc2nccnc2n1)[C@H](c1ccc(F)cc1)C1CC1 ZINC000301572386 336315835 /nfs/dbraw/zinc/31/58/35/336315835.db2.gz MNVDOOJYOCQJJU-KRWDZBQOSA-N 0 0 308.360 3.751 10 0 DHAERN Fc1nc(F)c(F)c(Nc2ccn(Cc3ccccc3)n2)c1F ZINC000301585274 336316488 /nfs/dbraw/zinc/31/64/88/336316488.db2.gz AWSYSAUBGYNCAS-UHFFFAOYSA-N 0 0 322.265 3.626 10 0 DHAERN CC[S@](=O)[C@@H]1CCC[C@@H](Nc2cc[nH+]c3cc(F)ccc23)C1 ZINC000301590020 336316828 /nfs/dbraw/zinc/31/68/28/336316828.db2.gz XGAHVDMEYYMAFB-SOHPYSCWSA-N 0 0 320.433 3.866 10 0 DHAERN Cc1cnn(CCCNc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000301596200 336317253 /nfs/dbraw/zinc/31/72/53/336317253.db2.gz GBRWKCIGGPMFMX-UHFFFAOYSA-N 0 0 316.405 3.956 10 0 DHAERN O[C@@H]1CCCC[C@@H]1Nc1ccc2cccc(Br)c2n1 ZINC000301602451 336317779 /nfs/dbraw/zinc/31/77/79/336317779.db2.gz KCNIOVFJNFHULK-QWHCGFSZSA-N 0 0 321.218 3.713 10 0 DHAERN Cc1nccn1Cc1cccc(CNc2ccnc(Cl)c2)c1 ZINC000301611760 336318158 /nfs/dbraw/zinc/31/81/58/336318158.db2.gz DYWCRQUKIXSHKK-UHFFFAOYSA-N 0 0 312.804 3.900 10 0 DHAERN Fc1nc(F)c(F)c(NCc2cccc(OC(F)F)c2)c1F ZINC000301625791 336319182 /nfs/dbraw/zinc/31/91/82/336319182.db2.gz ZSHYHHAQPBLKCG-UHFFFAOYSA-N 0 0 322.208 3.852 10 0 DHAERN COC(=O)c1ccc(CNc2cc(C)nc3c(F)cccc23)o1 ZINC000301644292 336320414 /nfs/dbraw/zinc/32/04/14/336320414.db2.gz CHGBUJRFNOAHIL-UHFFFAOYSA-N 0 0 314.316 3.674 10 0 DHAERN CCS[C@@H]1CC[C@@]1(O)CNc1cc(C)nc2c(F)cccc12 ZINC000301667865 336322185 /nfs/dbraw/zinc/32/21/85/336322185.db2.gz MJTHKMNZYIPFCN-NVXWUHKLSA-N 0 0 320.433 3.741 10 0 DHAERN CCc1c[nH]c(Sc2nccc(Oc3ccc(F)cc3)n2)n1 ZINC000301683354 336323206 /nfs/dbraw/zinc/32/32/06/336323206.db2.gz UMVHNZSKGRBUHY-UHFFFAOYSA-N 0 0 316.361 3.845 10 0 DHAERN CN(C)c1ccnc(N[C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000301737580 336326601 /nfs/dbraw/zinc/32/66/01/336326601.db2.gz RYMSXMRXHHJVDZ-HNNXBMFYSA-N 0 0 302.809 3.759 10 0 DHAERN CN(C)c1ccnc(N[C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000301737582 336326638 /nfs/dbraw/zinc/32/66/38/336326638.db2.gz RYMSXMRXHHJVDZ-OAHLLOKOSA-N 0 0 302.809 3.759 10 0 DHAERN CO[C@H]1CCC[C@H](Nc2ccc(-c3ccc(F)cc3)nn2)C1 ZINC000301772766 336328724 /nfs/dbraw/zinc/32/87/24/336328724.db2.gz KCCITVZRSSZMIV-GJZGRUSLSA-N 0 0 301.365 3.652 10 0 DHAERN CO[C@H]1CCC[C@@H](Nc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000301800942 336330970 /nfs/dbraw/zinc/33/09/70/336330970.db2.gz WGPLGBJMDYGSFP-OLZOCXBDSA-N 0 0 307.781 3.760 10 0 DHAERN C[C@@H](Nc1nc2ccccc2c(-c2ccccc2)n1)c1nc[nH]n1 ZINC000302051803 336345715 /nfs/dbraw/zinc/34/57/15/336345715.db2.gz PAPYSFIUCNWOAC-GFCCVEGCSA-N 0 0 316.368 3.588 10 0 DHAERN Cc1nc2c(c(N[C@@H](c3nccs3)C3CC3)n1)CCCC2 ZINC000302094844 336348229 /nfs/dbraw/zinc/34/82/29/336348229.db2.gz NQFWAXOQDVQPKY-CQSZACIVSA-N 0 0 300.431 3.684 10 0 DHAERN C[C@H]1SCCN(c2nnc(Cc3ccc(F)cc3)s2)[C@@H]1C ZINC000302121911 336349541 /nfs/dbraw/zinc/34/95/41/336349541.db2.gz UUEGBBUXEIGRHD-GHMZBOCLSA-N 0 0 323.462 3.598 10 0 DHAERN COCCC(C)(C)CNc1ccc(-c2ccc(F)cc2)nn1 ZINC000302169063 336352037 /nfs/dbraw/zinc/35/20/37/336352037.db2.gz SZGDICOUXZINJS-UHFFFAOYSA-N 0 0 303.381 3.757 10 0 DHAERN C[C@](O)(CCNc1nc2cc(F)ccc2o1)c1ccccc1 ZINC000302438172 336358861 /nfs/dbraw/zinc/35/88/61/336358861.db2.gz MNSZKXBRNDYHAC-KRWDZBQOSA-N 0 0 300.333 3.677 10 0 DHAERN OCC[C@H]1CCC[C@@H]1Nc1ccc2c(Cl)ccnc2c1F ZINC000302472555 336359484 /nfs/dbraw/zinc/35/94/84/336359484.db2.gz UPQKNCGCNUZXAF-MFKMUULPSA-N 0 0 308.784 3.990 10 0 DHAERN COc1ccc2nc(C)nc(Oc3ccc4c(c3)CCC4=O)c2c1 ZINC000302508834 336360301 /nfs/dbraw/zinc/36/03/01/336360301.db2.gz FNLBTASOLJGTDP-UHFFFAOYSA-N 0 0 320.348 3.868 10 0 DHAERN CC(C)(C)c1nsc(N2CCC[C@@H]2C[C@@H](O)c2ccco2)n1 ZINC000302546468 336361324 /nfs/dbraw/zinc/36/13/24/336361324.db2.gz UVXPMHFOYMHIPI-VXGBXAGGSA-N 0 0 321.446 3.521 10 0 DHAERN CC(C)(C)c1nsc(N2CCC[C@H]2C[C@@H](O)c2ccco2)n1 ZINC000302546463 336361375 /nfs/dbraw/zinc/36/13/75/336361375.db2.gz UVXPMHFOYMHIPI-NWDGAFQWSA-N 0 0 321.446 3.521 10 0 DHAERN Oc1cccc2c1CCC[C@@H]2Nc1cc(N2CCCCC2)ncn1 ZINC000302730732 336366928 /nfs/dbraw/zinc/36/69/28/336366928.db2.gz SENWMQZRPNSZBJ-INIZCTEOSA-N 0 0 324.428 3.662 10 0 DHAERN Cn1cc([C@@H]2CCCN2c2ccnc3cc(Cl)ccc32)cn1 ZINC000108946213 336394704 /nfs/dbraw/zinc/39/47/04/336394704.db2.gz RDUJHPANTCNHOI-INIZCTEOSA-N 0 0 312.804 3.963 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ccc(C(F)(F)F)cn1 ZINC000108951436 336394794 /nfs/dbraw/zinc/39/47/94/336394794.db2.gz GUVCYUQSHFYABJ-CYBMUJFWSA-N 0 0 324.350 3.792 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)CC1CCCC1 ZINC000114331036 336553959 /nfs/dbraw/zinc/55/39/59/336553959.db2.gz XAJAVESZAXTPPL-DYVFJYSZSA-N 0 0 317.477 3.917 10 0 DHAERN Cc1ccccc1-n1cc(C(=O)N2CCC[C@@H]2c2ccco2)cn1 ZINC000116043957 336830539 /nfs/dbraw/zinc/83/05/39/336830539.db2.gz UIEZILGFMSUPIT-QGZVFWFLSA-N 0 0 321.380 3.751 10 0 DHAERN CCC(C)(CC)NC(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000121278112 336937698 /nfs/dbraw/zinc/93/76/98/336937698.db2.gz RIGHDRFGVRDZJH-AWEZNQCLSA-N 0 0 314.433 3.811 10 0 DHAERN CC1(C)C[C@H](NC(=O)c2ccc(F)cc2F)c2ccccc2O1 ZINC000121750976 336977066 /nfs/dbraw/zinc/97/70/66/336977066.db2.gz JNHFUVAXHKDXRQ-HNNXBMFYSA-N 0 0 317.335 3.997 10 0 DHAERN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(C)o1)c1c(C)noc1C ZINC000122406341 337008055 /nfs/dbraw/zinc/00/80/55/337008055.db2.gz IQZWHJJOUNNGDR-GXFFZTMASA-N 0 0 305.378 3.704 10 0 DHAERN Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000122817768 337026626 /nfs/dbraw/zinc/02/66/26/337026626.db2.gz PGVUOARIUWZOSQ-INIZCTEOSA-N 0 0 305.372 3.652 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)O1 ZINC000123038641 337034558 /nfs/dbraw/zinc/03/45/58/337034558.db2.gz WPYMHIBNUXRKQB-TVQRCGJNSA-N 0 0 302.201 3.519 10 0 DHAERN O=C(Nc1ccc(F)cn1)N[C@H]1CCCc2cc(F)ccc21 ZINC000123145957 337038437 /nfs/dbraw/zinc/03/84/37/337038437.db2.gz RXOJOZLJANCXGM-AWEZNQCLSA-N 0 0 303.312 3.559 10 0 DHAERN Cc1nc([C@@H](C)NC(=O)CCC(=O)c2ccc(C)cc2)cs1 ZINC000170497249 337083296 /nfs/dbraw/zinc/08/32/96/337083296.db2.gz GXJJMFYYOKFEDY-GFCCVEGCSA-N 0 0 316.426 3.600 10 0 DHAERN COc1cc(Cl)c(C)cc1NC(=O)N1CCS[C@@H](C)C1 ZINC000171359513 337086363 /nfs/dbraw/zinc/08/63/63/337086363.db2.gz LMTRQVZKVUTUBJ-JTQLQIEISA-N 0 0 314.838 3.626 10 0 DHAERN Cc1cc(CN2CCc3c(nc(C(C)C)n3C)C2)c(C)s1 ZINC000171639972 337086904 /nfs/dbraw/zinc/08/69/04/337086904.db2.gz FSENVMJILKUIIZ-UHFFFAOYSA-N 0 0 303.475 3.780 10 0 DHAERN Cc1cccc2[nH]cc(CC(=O)N[C@H]3CCOc4ccccc43)c21 ZINC000171431125 337087279 /nfs/dbraw/zinc/08/72/79/337087279.db2.gz YGNJJNQPHQCMEV-INIZCTEOSA-N 0 0 320.392 3.659 10 0 DHAERN CCc1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000172246198 337091446 /nfs/dbraw/zinc/09/14/46/337091446.db2.gz ZUFMHQSCFOLDQF-GOSISDBHSA-N 0 0 324.472 3.904 10 0 DHAERN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2ccsc2)C12CCCC2 ZINC000172601467 337130185 /nfs/dbraw/zinc/13/01/85/337130185.db2.gz DYQQUUROIIJNJQ-LSDHHAIUSA-N 0 0 322.474 3.627 10 0 DHAERN Cc1ccc(-c2ocnc2C(=O)N[C@@H]2COc3ccccc32)cc1 ZINC000172910183 337132403 /nfs/dbraw/zinc/13/24/03/337132403.db2.gz RYWWULFGLZOCHA-OAHLLOKOSA-N 0 0 320.348 3.514 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)CSc1ccccc1 ZINC000172951938 337132545 /nfs/dbraw/zinc/13/25/45/337132545.db2.gz RRAFMCHCTBXCKL-HNNXBMFYSA-N 0 0 315.438 3.500 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000172975390 337132730 /nfs/dbraw/zinc/13/27/30/337132730.db2.gz HOZPPEDVCZGBQO-GOEBONIOSA-N 0 0 321.465 3.766 10 0 DHAERN CCc1ccc([C@@H]2CCCCN2C(=O)CC2(O)CCCC2)o1 ZINC000173192085 337133596 /nfs/dbraw/zinc/13/35/96/337133596.db2.gz TZYPKOWMRPIOCV-HNNXBMFYSA-N 0 0 305.418 3.591 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)CSC(C)(C)C)C2)n1 ZINC000173410536 337135152 /nfs/dbraw/zinc/13/51/52/337135152.db2.gz TWARUWRXLSZRQJ-GFCCVEGCSA-N 0 0 312.504 3.689 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 ZINC000173426001 337135187 /nfs/dbraw/zinc/13/51/87/337135187.db2.gz YOLUPARHXUXVAY-ZDUSSCGKSA-N 0 0 320.483 3.852 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)Cc3ccccc3F)C2)n1 ZINC000173417329 337135202 /nfs/dbraw/zinc/13/52/02/337135202.db2.gz VZAGSEJEHDLADL-AWEZNQCLSA-N 0 0 318.417 3.539 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 ZINC000173429250 337135344 /nfs/dbraw/zinc/13/53/44/337135344.db2.gz RUAAYYTYYIPIDY-CQSZACIVSA-N 0 0 318.417 3.539 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)CCC2CCOCC2)o1 ZINC000173755371 337135974 /nfs/dbraw/zinc/13/59/74/337135974.db2.gz XYBHXGQTSYXQIE-INIZCTEOSA-N 0 0 305.418 3.848 10 0 DHAERN O=C([C@H]1SCCc2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000173509634 337136088 /nfs/dbraw/zinc/13/60/88/337136088.db2.gz CFEIYLNYLYMOMC-WBVHZDCISA-N 0 0 313.422 3.974 10 0 DHAERN CCCCCC[C@H](C)C(=O)N1CCC[C@H](n2cc(C)cn2)C1 ZINC000173573359 337136542 /nfs/dbraw/zinc/13/65/42/337136542.db2.gz TTXDGNUEWUMMPH-IRXDYDNUSA-N 0 0 305.466 3.962 10 0 DHAERN Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)cc1F ZINC000173928233 337137549 /nfs/dbraw/zinc/13/75/49/337137549.db2.gz IYLVASRFJJAAFE-CQSZACIVSA-N 0 0 323.371 3.811 10 0 DHAERN CC(C)OCCC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000173968087 337138104 /nfs/dbraw/zinc/13/81/04/337138104.db2.gz YGJUFIYXEHBBBO-AWEZNQCLSA-N 0 0 324.490 3.788 10 0 DHAERN Cc1csc([C@@H]2CCCN(Cc3cnc(Cl)s3)C2)n1 ZINC000175419202 337145953 /nfs/dbraw/zinc/14/59/53/337145953.db2.gz RXSIWIUDZZRONW-SNVBAGLBSA-N 0 0 313.879 3.941 10 0 DHAERN CCc1csc([C@@H]2CCCN(C(=O)C3(CC)CCC3)C2)n1 ZINC000176076841 337150353 /nfs/dbraw/zinc/15/03/53/337150353.db2.gz XXKIHPDCJPZIOD-CYBMUJFWSA-N 0 0 306.475 3.992 10 0 DHAERN CCc1nccn1[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC000176281017 337150636 /nfs/dbraw/zinc/15/06/36/337150636.db2.gz GHRZDLCKEBNQTC-KRWDZBQOSA-N 0 0 317.477 3.970 10 0 DHAERN c1nc2n(n1)CCC[C@H]2N[C@H](Cc1ccccc1)c1ccccc1 ZINC000176683940 337152667 /nfs/dbraw/zinc/15/26/67/337152667.db2.gz KUBXCNBNMLVLIZ-RTBURBONSA-N 0 0 318.424 3.687 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2cccc(C)c21 ZINC000176808385 337153268 /nfs/dbraw/zinc/15/32/68/337153268.db2.gz MFRPPQYZFPVXHH-MRXNPFEDSA-N 0 0 321.428 3.630 10 0 DHAERN Cc1cccnc1NC(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000177405718 337155917 /nfs/dbraw/zinc/15/59/17/337155917.db2.gz PJQOVRMNIZPUHI-AWEZNQCLSA-N 0 0 311.385 3.814 10 0 DHAERN CC(C)c1nc([C@@H]2CCCN2C(=O)NCCCC(C)(C)C)no1 ZINC000177543901 337156678 /nfs/dbraw/zinc/15/66/78/337156678.db2.gz HSNPQOHNWRLSKD-ZDUSSCGKSA-N 0 0 322.453 3.866 10 0 DHAERN Cc1csc([C@@H]2CN(Cc3ccc(Cl)c(C)c3)CCO2)n1 ZINC000180427256 337174466 /nfs/dbraw/zinc/17/44/66/337174466.db2.gz HSCNWCSUHJWDNF-HNNXBMFYSA-N 0 0 322.861 3.987 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC(c2nncn2CC)CC1 ZINC000180473820 337174801 /nfs/dbraw/zinc/17/48/01/337174801.db2.gz GCYSMJAQNZABLP-HNNXBMFYSA-N 0 0 320.481 3.611 10 0 DHAERN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180279984 337175687 /nfs/dbraw/zinc/17/56/87/337175687.db2.gz GUFKXMOFLKOAGX-XEZPLFJOSA-N 0 0 319.493 3.547 10 0 DHAERN Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)s2)o1 ZINC000180642922 337176867 /nfs/dbraw/zinc/17/68/67/337176867.db2.gz BPZOJHGSVXPMRL-NEPJUHHUSA-N 0 0 305.399 3.614 10 0 DHAERN CCc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000180648171 337176955 /nfs/dbraw/zinc/17/69/55/337176955.db2.gz IMKSGTUWMXRGJX-QWHCGFSZSA-N 0 0 318.490 3.691 10 0 DHAERN CC[C@@H](N[C@H](C)c1nnc2n1CCCC2)c1ccccc1F ZINC000180657091 337177192 /nfs/dbraw/zinc/17/71/92/337177192.db2.gz KDYGNXJUIZHJNJ-IUODEOHRSA-N 0 0 302.397 3.555 10 0 DHAERN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H](C)c1cccs1 ZINC000180755960 337177723 /nfs/dbraw/zinc/17/77/23/337177723.db2.gz VWWXYLDMKQQNPG-GXFFZTMASA-N 0 0 318.446 3.696 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCC[C@H]1Cn1ccnc1C ZINC000181202959 337180323 /nfs/dbraw/zinc/18/03/23/337180323.db2.gz HMUNBYUBTFITQW-IRXDYDNUSA-N 0 0 305.466 3.789 10 0 DHAERN Cn1ncc2c1CCC[C@H]2N[C@H](CC(C)(C)C)C(F)(F)F ZINC000181255388 337180752 /nfs/dbraw/zinc/18/07/52/337180752.db2.gz ZVJGGKZBDJQSFV-DGCLKSJQSA-N 0 0 303.372 3.754 10 0 DHAERN O=C(NCc1ccc(Cl)s1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000182376470 337188138 /nfs/dbraw/zinc/18/81/38/337188138.db2.gz AVUKXJWUUDDRNH-LBPRGKRZSA-N 0 0 324.837 3.561 10 0 DHAERN CC(=O)Nc1ccc(CNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)cc1 ZINC000182790343 337189923 /nfs/dbraw/zinc/18/99/23/337189923.db2.gz KNZWXWDCXVGZJF-XJKSGUPXSA-N 0 0 316.445 3.724 10 0 DHAERN CCn1ccnc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F ZINC000183460079 337191844 /nfs/dbraw/zinc/19/18/44/337191844.db2.gz QCIJEZALWVMCIO-ZDUSSCGKSA-N 0 0 319.277 3.574 10 0 DHAERN CCc1cnccc1C(=O)N1C[C@H](c2ccccc2)OCC1(C)C ZINC000183698482 337192951 /nfs/dbraw/zinc/19/29/51/337192951.db2.gz OFLNGTCQFKKWRV-GOSISDBHSA-N 0 0 324.424 3.636 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)N2CCO[C@H](c3nccs3)C2)CC(C)(C)C1 ZINC000183751311 337193256 /nfs/dbraw/zinc/19/32/56/337193256.db2.gz HTBJHLIPMKNYTP-MCIONIFRSA-N 0 0 322.474 3.505 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC(Cn3cccn3)CC2)CC(C)(C)C1 ZINC000183888854 337195220 /nfs/dbraw/zinc/19/52/20/337195220.db2.gz IGXNTCMQKLMRTJ-RDJZCZTQSA-N 0 0 317.477 3.584 10 0 DHAERN Cc1ccc([C@H](C)NC(=O)c2nn(-c3ccccc3)cc2C)o1 ZINC000183934217 337195596 /nfs/dbraw/zinc/19/55/96/337195596.db2.gz FBAZGBMRCSWCEU-AWEZNQCLSA-N 0 0 309.369 3.573 10 0 DHAERN COc1ccc(CN(C)C(=O)[C@H]2C[C@H](C)CC(C)(C)C2)cc1O ZINC000184194027 337196878 /nfs/dbraw/zinc/19/68/78/337196878.db2.gz IPZHJJSLOWWMGA-ZFWWWQNUSA-N 0 0 319.445 3.822 10 0 DHAERN Cc1cnc([C@H](C)NC(=O)c2ccc(C)cc2Br)o1 ZINC000226614384 337199991 /nfs/dbraw/zinc/19/99/91/337199991.db2.gz XOKJUONUMYTELH-JTQLQIEISA-N 0 0 323.190 3.545 10 0 DHAERN O=C(Nc1cccc2c1OCC[C@@H]2O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000185396728 337204718 /nfs/dbraw/zinc/20/47/18/337204718.db2.gz UQPPBWKKOFQWGX-INMHGKMJSA-N 0 0 315.413 3.657 10 0 DHAERN O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)N1CCCC2(CC2)C1 ZINC000185509611 337248621 /nfs/dbraw/zinc/24/86/21/337248621.db2.gz JBBXPAROMQKIEB-RYUDHWBXSA-N 0 0 304.356 3.693 10 0 DHAERN Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[C@@H]1c1ccco1)CO2 ZINC000185905066 337251460 /nfs/dbraw/zinc/25/14/60/337251460.db2.gz PLIFHDHOPWOLSM-JKSUJKDBSA-N 0 0 311.381 3.736 10 0 DHAERN Cc1n[nH]cc1CNc1ncc(Cc2ccc(F)cc2F)s1 ZINC000185962255 337253434 /nfs/dbraw/zinc/25/34/34/337253434.db2.gz UXQUMAVPZYIOHE-UHFFFAOYSA-N 0 0 320.368 3.656 10 0 DHAERN Cc1csc([C@@H]2CCCN(C(=O)C[C@H]3CCC[C@@H]3C)C2)n1 ZINC000185965032 337253496 /nfs/dbraw/zinc/25/34/96/337253496.db2.gz RWQWZEJLCWWVTL-NWANDNLSSA-N 0 0 306.475 3.984 10 0 DHAERN Cc1ccc(C)c2c1CCC[C@@H]2N[C@H](C)c1nnc2n1CCCC2 ZINC000186180568 337254227 /nfs/dbraw/zinc/25/42/27/337254227.db2.gz SGOCWYUSUWQBFC-WBVHZDCISA-N 0 0 324.472 3.959 10 0 DHAERN O=C(c1ccc(C2CCC2)cc1)N1CCC(Cn2cccn2)CC1 ZINC000187868397 337268468 /nfs/dbraw/zinc/26/84/68/337268468.db2.gz ODNDQBFUTSQYPN-UHFFFAOYSA-N 0 0 323.440 3.703 10 0 DHAERN Cc1nccnc1[C@H](C)N[C@@H](c1ccccc1)c1cccnc1 ZINC000187947105 337268987 /nfs/dbraw/zinc/26/89/87/337268987.db2.gz XRETXCMUBBLLES-KXBFYZLASA-N 0 0 304.397 3.620 10 0 DHAERN O=C(NCCC1=CCCC1)N[C@@H]1CCCc2c(O)cccc21 ZINC000189660997 337281484 /nfs/dbraw/zinc/28/14/84/337281484.db2.gz WMXPIJMNCFIQLI-MRXNPFEDSA-N 0 0 300.402 3.569 10 0 DHAERN Clc1ccc(/C=C/CN2CCCC[C@@H]2c2nc[nH]n2)cc1 ZINC000189802993 337283160 /nfs/dbraw/zinc/28/31/60/337283160.db2.gz AMSRNIZGRZPXLA-NHZBNJEXSA-N 0 0 302.809 3.699 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N(Cc1ccccc1)CC1CCC1 ZINC000190076081 337284462 /nfs/dbraw/zinc/28/44/62/337284462.db2.gz QLVKOQKLOOSENV-MAUKXSAKSA-N 0 0 301.430 3.630 10 0 DHAERN Cc1cc(Br)cc(NC(=O)[C@@H]2CCCO[C@@H]2C)c1 ZINC000190398909 337285884 /nfs/dbraw/zinc/28/58/84/337285884.db2.gz DKAVPMNSSSQXTO-ZWNOBZJWSA-N 0 0 312.207 3.511 10 0 DHAERN C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000190627302 337289267 /nfs/dbraw/zinc/28/92/67/337289267.db2.gz CSQHUELDBXWIAW-MISXGVKJSA-N 0 0 315.335 3.698 10 0 DHAERN CC(C)N(C)c1ccc(C[NH2+][C@H]2CCOc3ccccc32)cn1 ZINC000190690083 337289762 /nfs/dbraw/zinc/28/97/62/337289762.db2.gz WWUZBEMADFWPBI-KRWDZBQOSA-N 0 0 311.429 3.540 10 0 DHAERN O=C(NCc1ccc(C2CC2)cc1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000191606705 337297915 /nfs/dbraw/zinc/29/79/15/337297915.db2.gz OQONQGWWMMTFLL-SFHVURJKSA-N 0 0 324.428 3.724 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)N1CCSc2ccc(Cl)cc21 ZINC000191868053 337301739 /nfs/dbraw/zinc/30/17/39/337301739.db2.gz DJTUNWYPLWWCCX-ZYHUDNBSSA-N 0 0 311.834 3.594 10 0 DHAERN CC(C)[C@@H](C)NC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000192882586 337307960 /nfs/dbraw/zinc/30/79/60/337307960.db2.gz WNXPHWWNORDSKD-SNVBAGLBSA-N 0 0 312.797 3.667 10 0 DHAERN COc1ccc([C@H](O)c2nc(C)cc3cc(OC)ccc32)cc1 ZINC000584619967 337371558 /nfs/dbraw/zinc/37/15/58/337371558.db2.gz QVTYLTIRYJADQU-IBGZPJMESA-N 0 0 309.365 3.642 10 0 DHAERN Cc1nc(Br)n(COCC[Si](C)(C)C)c1C ZINC000584616899 337373020 /nfs/dbraw/zinc/37/30/20/337373020.db2.gz NEBRHNWNJIFREB-UHFFFAOYSA-N 0 0 305.292 3.575 10 0 DHAERN CCOC(=O)C(=O)c1ccc2c(c1)C[C@H](C1CCCCC1)C2 ZINC000584618636 337373202 /nfs/dbraw/zinc/37/32/02/337373202.db2.gz MPQUSOAZPMYSNT-MRXNPFEDSA-N 0 0 300.398 3.728 10 0 DHAERN C[C@H]1C=C2C=CCC[C@]2(C)[C@H]2[C@@H](O)C[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 ZINC000584591632 337373489 /nfs/dbraw/zinc/37/34/89/337373489.db2.gz NSEPTOCJUHYHQF-XNMNPEGYSA-N 0 0 302.458 3.693 10 0 DHAERN CCOC(=O)[C@H](c1cccc(C)c1)P(=O)(OCC)OCC ZINC000584595524 337373948 /nfs/dbraw/zinc/37/39/48/337373948.db2.gz DMPUTAVQLVMEPN-AWEZNQCLSA-N 0 0 314.318 3.865 10 0 DHAERN CCOC(=O)[C@@H]1CC1(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000584622620 337375127 /nfs/dbraw/zinc/37/51/27/337375127.db2.gz MCJIBWHOGSZAJS-INIZCTEOSA-N 0 0 302.320 3.834 10 0 DHAERN O=C1Nc2ccccc2S[C@H]1c1ccc(C(F)(F)F)nc1 ZINC000584626224 337376028 /nfs/dbraw/zinc/37/60/28/337376028.db2.gz FLWITCARDXRSJD-LBPRGKRZSA-N 0 0 310.300 3.886 10 0 DHAERN C[C@](O)(c1cccc(O)c1)[C@H](c1ccccc1)c1ccccn1 ZINC000584630055 337376701 /nfs/dbraw/zinc/37/67/01/337376701.db2.gz UZTDOKIJIPAWAA-UXHICEINSA-N 0 0 305.377 3.827 10 0 DHAERN CON(C(=O)c1cccnc1C(F)F)[C@H](C)Cc1ccccc1 ZINC000584632142 337377245 /nfs/dbraw/zinc/37/72/45/337377245.db2.gz DOVZHQFIIRWQDR-GFCCVEGCSA-N 0 0 320.339 3.654 10 0 DHAERN CC[C@@H](C)CNC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000584632852 337377373 /nfs/dbraw/zinc/37/73/73/337377373.db2.gz PWDPNSLDXRGYCP-LLVKDONJSA-N 0 0 318.804 3.884 10 0 DHAERN O=C(C(C1CCCCC1)C1CCCCC1)N1CCC(=O)CC1 ZINC000584637154 337379384 /nfs/dbraw/zinc/37/93/84/337379384.db2.gz YGQPHTQPQBNMKW-UHFFFAOYSA-N 0 0 305.462 3.955 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccccc1Cl ZINC000105846299 337386792 /nfs/dbraw/zinc/38/67/92/337386792.db2.gz YSLDCCFCXSJZRD-OAHLLOKOSA-N 0 0 317.820 3.668 10 0 DHAERN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(C)c(C)c1 ZINC000105846919 337386793 /nfs/dbraw/zinc/38/67/93/337386793.db2.gz KWUOKVDABQLTKC-QGZVFWFLSA-N 0 0 311.429 3.631 10 0 DHAERN CCc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 ZINC000105846777 337386867 /nfs/dbraw/zinc/38/68/67/337386867.db2.gz PYLVEBMECNDVEC-QGZVFWFLSA-N 0 0 311.429 3.577 10 0 DHAERN O=C(CCc1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 ZINC000028666084 337388391 /nfs/dbraw/zinc/38/83/91/337388391.db2.gz ZQDGLXSKMYYRJJ-INIZCTEOSA-N 0 0 315.800 3.913 10 0 DHAERN Cc1cnn([C@@H]2CCCN(C(=O)Nc3ccc(C)c(F)c3)C2)c1 ZINC000111705106 337389976 /nfs/dbraw/zinc/38/99/76/337389976.db2.gz HDFDTRPZYZRIQS-OAHLLOKOSA-N 0 0 316.380 3.508 10 0 DHAERN CC(C)CCSCC(=O)N1CCCC[C@H]1c1nccs1 ZINC000115363513 337392010 /nfs/dbraw/zinc/39/20/10/337392010.db2.gz SDXBHOHDQMFTJH-ZDUSSCGKSA-N 0 0 312.504 3.976 10 0 DHAERN O=C(c1cc(=O)[nH]c2ccccc21)N1CCC[C@@H]1c1ccco1 ZINC000116045311 337392230 /nfs/dbraw/zinc/39/22/30/337392230.db2.gz QYIMMJSKPDGIBJ-OAHLLOKOSA-N 0 0 308.337 3.511 10 0 DHAERN COc1nc(C(=O)N2CCC[C@@H]2c2ccco2)cc2ccccc21 ZINC000116042890 337392257 /nfs/dbraw/zinc/39/22/57/337392257.db2.gz ZFUBNOGSFWQMBK-MRXNPFEDSA-N 0 0 322.364 3.814 10 0 DHAERN CCCC[C@H](CC)CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000117142764 337393144 /nfs/dbraw/zinc/39/31/44/337393144.db2.gz DJLBPPUZFPLRAR-JKSUJKDBSA-N 0 0 321.465 3.766 10 0 DHAERN CC(C)CC1(C(=O)N2CCC(Cn3cccn3)CC2)CCCC1 ZINC000119768651 337395049 /nfs/dbraw/zinc/39/50/49/337395049.db2.gz JGCAZJVOUXVPAZ-UHFFFAOYSA-N 0 0 317.477 3.728 10 0 DHAERN O=C(Nc1ccncc1Br)c1cc2ccccc2[nH]1 ZINC000040816386 337399504 /nfs/dbraw/zinc/39/95/04/337399504.db2.gz YIDMFDMDZCHICD-UHFFFAOYSA-N 0 0 316.158 3.578 10 0 DHAERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000123536577 337399856 /nfs/dbraw/zinc/39/98/56/337399856.db2.gz AUNZNPMMDZLTIH-YJBOKZPZSA-N 0 0 323.440 3.660 10 0 DHAERN C[C@H](NC(=O)NC1CCC(c2ccccc2)CC1)[C@H]1CCCO1 ZINC000042326221 337406574 /nfs/dbraw/zinc/40/65/74/337406574.db2.gz XNRGXYJAGQXHQM-IWCVFHTOSA-N 0 0 316.445 3.580 10 0 DHAERN C[C@@H]1CC[C@H](NC(=O)c2cnn3c2CCCC3)c2ccccc21 ZINC000125185066 337409854 /nfs/dbraw/zinc/40/98/54/337409854.db2.gz XEQQGRYTJOPPDR-DYVFJYSZSA-N 0 0 309.413 3.588 10 0 DHAERN CCCCc1nnc(NC(=O)N[C@@H](C)c2ccc(C)o2)s1 ZINC000043383566 337410879 /nfs/dbraw/zinc/41/08/79/337410879.db2.gz SYRMJMKUVWIORK-JTQLQIEISA-N 0 0 308.407 3.665 10 0 DHAERN O=C(Nc1nc(C2CC2)cs1)N[C@H]1CCOc2ccccc21 ZINC000043647801 337412504 /nfs/dbraw/zinc/41/25/04/337412504.db2.gz AMIXMSUPSFZYCA-LBPRGKRZSA-N 0 0 315.398 3.666 10 0 DHAERN O=C(N[C@H]1COc2ccccc21)c1cncc(-c2ccccc2)c1 ZINC000125717769 337413538 /nfs/dbraw/zinc/41/35/38/337413538.db2.gz SNGJGFIKJZYIAU-SFHVURJKSA-N 0 0 316.360 3.612 10 0 DHAERN O=C(N[C@@H]1COc2ccccc21)c1cncc(-c2ccccc2)c1 ZINC000125717532 337413583 /nfs/dbraw/zinc/41/35/83/337413583.db2.gz SNGJGFIKJZYIAU-GOSISDBHSA-N 0 0 316.360 3.612 10 0 DHAERN CC[C@H](CC1CCCC1)C(=O)N1CCC(Cn2cccn2)CC1 ZINC000126122471 337415324 /nfs/dbraw/zinc/41/53/24/337415324.db2.gz AWOPMCFMLFIUJV-GOSISDBHSA-N 0 0 317.477 3.728 10 0 DHAERN CCc1ccc([C@@H]2COCCN2Cc2ccc3ccccc3n2)o1 ZINC000126235192 337415886 /nfs/dbraw/zinc/41/58/86/337415886.db2.gz AIEIDSMFNAFLRX-IBGZPJMESA-N 0 0 322.408 3.964 10 0 DHAERN C[C@@H]1CC[C@@H](c2nc(-c3cc(Br)cs3)no2)O1 ZINC000129200540 337428688 /nfs/dbraw/zinc/42/86/88/337428688.db2.gz SOPRSEMQBGEHJJ-SVRRBLITSA-N 0 0 315.192 3.801 10 0 DHAERN CCN(CCc1nccs1)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000131351646 337437397 /nfs/dbraw/zinc/43/73/97/337437397.db2.gz GSHOUYHCXYMTNF-HUUCEWRRSA-N 0 0 306.475 3.751 10 0 DHAERN Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc(C)c1 ZINC000062576076 337460157 /nfs/dbraw/zinc/46/01/57/337460157.db2.gz SUJPWFCYHZPTBD-UHFFFAOYSA-N 0 0 320.392 3.931 10 0 DHAERN CC(C)n1nnnc1CNc1ccccc1Oc1ccccc1 ZINC000194984336 337464533 /nfs/dbraw/zinc/46/45/33/337464533.db2.gz QXSKHNRMEJDUAC-UHFFFAOYSA-N 0 0 309.373 3.658 10 0 DHAERN Cc1csc([C@H]2CCCN(c3cnc4ccccc4n3)C2)n1 ZINC000195313267 337467609 /nfs/dbraw/zinc/46/76/09/337467609.db2.gz MFDVKBODAZWOTM-ZDUSSCGKSA-N 0 0 310.426 3.779 10 0 DHAERN CCSCC[C@H](C)NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000246773034 337554895 /nfs/dbraw/zinc/55/48/95/337554895.db2.gz GKENMDVQZHQVSU-DRZSPHRISA-N 0 0 313.413 3.716 10 0 DHAERN CS[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]2c2ccco2)C1 ZINC000247224735 337558471 /nfs/dbraw/zinc/55/84/71/337558471.db2.gz VVXGEMJLWGNYLO-MCIONIFRSA-N 0 0 308.447 3.800 10 0 DHAERN O=C([C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@H]1c1ccco1 ZINC000247433959 337559602 /nfs/dbraw/zinc/55/96/02/337559602.db2.gz MLUFPCMGUZMOFU-ABSDTBQOSA-N 0 0 307.393 3.847 10 0 DHAERN C[C@H]1C[C@H](C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccco2)C[C@@H](C)C1 ZINC000248563718 337564675 /nfs/dbraw/zinc/56/46/75/337564675.db2.gz MYBZAMGZJPNRKB-DRRXZNNHSA-N 0 0 319.445 3.766 10 0 DHAERN CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CCO1 ZINC000248599084 337566069 /nfs/dbraw/zinc/56/60/69/337566069.db2.gz UEAQMQMLWLMXOX-ZNMIVQPWSA-N 0 0 322.474 3.792 10 0 DHAERN Cc1c2cc(Cl)ccc2oc1C(=O)N1[C@H](C)COC[C@H]1C ZINC000076365482 337568761 /nfs/dbraw/zinc/56/87/61/337568761.db2.gz ARNSWHLHROYGLB-NXEZZACHSA-N 0 0 307.777 3.644 10 0 DHAERN C[C@@H](c1c(F)cccc1F)N1CCO[C@@H](c2nccs2)C1 ZINC000249885165 337572133 /nfs/dbraw/zinc/57/21/33/337572133.db2.gz OUZZUYBIIHIHSN-GXFFZTMASA-N 0 0 310.369 3.556 10 0 DHAERN CCC[C@H]([NH2+][C@H](C)CCc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000263439727 337629164 /nfs/dbraw/zinc/62/91/64/337629164.db2.gz VYZIWTLVRAOZSR-RISCZKNCSA-N 0 0 317.351 3.869 10 0 DHAERN CCCCC1CCC(C(=O)N[C@H]2CCCn3nc(C)nc32)CC1 ZINC000081580239 337725957 /nfs/dbraw/zinc/72/59/57/337725957.db2.gz HZHQLCQZQFYVEH-GPANFISMSA-N 0 0 318.465 3.534 10 0 DHAERN CCn1ccnc1COc1ccc(C(=O)c2ccc(F)cc2)cc1 ZINC000106435521 337818045 /nfs/dbraw/zinc/81/80/45/337818045.db2.gz HHHNAJKNCFCIIY-UHFFFAOYSA-N 0 0 324.355 3.852 10 0 DHAERN O=C(N[C@H](c1ccccc1)C1CC1)N[C@@H]1CCOc2ccccc21 ZINC000045124630 337819141 /nfs/dbraw/zinc/81/91/41/337819141.db2.gz SRIJDMCKKPYVIE-IEBWSBKVSA-N 0 0 322.408 3.961 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(C(=O)/C=C/C1CCCCC1)C2 ZINC000117801755 337849244 /nfs/dbraw/zinc/84/92/44/337849244.db2.gz HOTBOWXETWUPQA-MDZDMXLPSA-N 0 0 315.461 3.565 10 0 DHAERN C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000089285780 337867923 /nfs/dbraw/zinc/86/79/23/337867923.db2.gz JWXCEGVNAQNEMT-UXPWSPDFSA-N 0 0 323.436 3.762 10 0 DHAERN CC(C)(C)[C@@H](NC(=O)N1CCOC[C@H]1C1CC1)c1cccs1 ZINC000089890756 337875666 /nfs/dbraw/zinc/87/56/66/337875666.db2.gz DYUIXQANXDEGOZ-ZFWWWQNUSA-N 0 0 322.474 3.656 10 0 DHAERN O=C(C[C@@H](O)c1ccccc1)N1CCCCC[C@H]1c1ccncc1 ZINC000091095699 337889797 /nfs/dbraw/zinc/88/97/97/337889797.db2.gz WUZOOEWRDDSWMR-RBUKOAKNSA-N 0 0 324.424 3.649 10 0 DHAERN O=C(C[C@H](O)c1ccccc1)N1CCC[C@H]1CCc1ccccc1 ZINC000091169742 337890222 /nfs/dbraw/zinc/89/02/22/337890222.db2.gz CSBZSGPJKQFHJI-PMACEKPBSA-N 0 0 323.436 3.734 10 0 DHAERN COc1cccnc1N(C)C(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000121395632 337891068 /nfs/dbraw/zinc/89/10/68/337891068.db2.gz IPGMAEWNKNUPMM-IRXDYDNUSA-N 0 0 324.424 3.980 10 0 DHAERN CCc1ccc(C2=CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)cc1 ZINC000092963225 337910672 /nfs/dbraw/zinc/91/06/72/337910672.db2.gz PTPIBZAOADIGGJ-UHFFFAOYSA-N 0 0 322.408 3.709 10 0 DHAERN COCCCC(=O)N[C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000097699536 337952008 /nfs/dbraw/zinc/95/20/08/337952008.db2.gz UMNILDDXBGZUCE-QMMMGPOBSA-N 0 0 308.180 3.736 10 0 DHAERN CCNc1ccc(Cl)cc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000195170964 338858060 /nfs/dbraw/zinc/85/80/60/338858060.db2.gz KQIFMUZJOZXQCU-JKSUJKDBSA-N 0 0 322.836 3.555 10 0 DHAERN CCc1nnc(CSC/C=C\c2ccc(Cl)cc2)n1C ZINC000468637907 339267707 /nfs/dbraw/zinc/26/77/07/339267707.db2.gz LDOXDAZQAMQRFC-PLNGDYQASA-N 0 0 307.850 3.978 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)c1ccc(Cl)cc1F ZINC000172966460 340350282 /nfs/dbraw/zinc/35/02/82/340350282.db2.gz DQFBIJILEKJWQG-LBPRGKRZSA-N 0 0 321.779 3.814 10 0 DHAERN C[C@@H](COCc1ccccc1)NC(=O)N(C)C1CCCCC1 ZINC000173333787 340362762 /nfs/dbraw/zinc/36/27/62/340362762.db2.gz NNBQEGHPPICGSI-HNNXBMFYSA-N 0 0 304.434 3.566 10 0 DHAERN C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000173592320 340368262 /nfs/dbraw/zinc/36/82/62/340368262.db2.gz JNYCJCYGJQDGGU-JLSDUUJJSA-N 0 0 319.420 3.564 10 0 DHAERN Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)CCc1cccn1C ZINC000173834756 340375375 /nfs/dbraw/zinc/37/53/75/340375375.db2.gz LCCDUHSKQHNRDL-HZPDHXFCSA-N 0 0 313.445 3.715 10 0 DHAERN C[C@@H](NC(=O)NCC(F)F)c1c(Cl)ccc(F)c1Cl ZINC000174174819 340383594 /nfs/dbraw/zinc/38/35/94/340383594.db2.gz JOWIOSZBTWHZNB-RXMQYKEDSA-N 0 0 315.122 3.758 10 0 DHAERN C[C@H](NC(=O)Nc1ccccc1F)c1cccc(-n2ccnc2)c1 ZINC000174264991 340384994 /nfs/dbraw/zinc/38/49/94/340384994.db2.gz GOKVNTWCLWOMLP-ZDUSSCGKSA-N 0 0 324.359 3.894 10 0 DHAERN CC(C)[C@@H](C)NC(=O)N1CC[C@@H](CSc2ccccc2)C1 ZINC000174743989 340395507 /nfs/dbraw/zinc/39/55/07/340395507.db2.gz VELFAZHUICHOEM-HUUCEWRRSA-N 0 0 306.475 3.855 10 0 DHAERN Cc1csc([C@H]2CCCN(C(=O)NCC3(C)CCCC3)C2)n1 ZINC000174811119 340396549 /nfs/dbraw/zinc/39/65/49/340396549.db2.gz LVTMWYQIXAIHGR-AWEZNQCLSA-N 0 0 321.490 3.921 10 0 DHAERN C[C@H](CNC(=O)N[C@H](C)c1cccs1)Oc1ccc(F)cc1 ZINC000174818714 340396611 /nfs/dbraw/zinc/39/66/11/340396611.db2.gz KEPVHKBKMNWOKW-VXGBXAGGSA-N 0 0 322.405 3.715 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)NC[C@H](C)Oc2ccc(F)cc2)o1 ZINC000175335418 340409531 /nfs/dbraw/zinc/40/95/31/340409531.db2.gz JCPUCLJEXRJMPA-QWHCGFSZSA-N 0 0 320.364 3.555 10 0 DHAERN Cc1cc(C)c(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)o1 ZINC000176421630 340427314 /nfs/dbraw/zinc/42/73/14/340427314.db2.gz VJFCSNOQWVEJSO-MRXNPFEDSA-N 0 0 313.397 3.889 10 0 DHAERN Cc1cc(C)c(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)o1 ZINC000176421647 340427375 /nfs/dbraw/zinc/42/73/75/340427375.db2.gz VJFCSNOQWVEJSO-INIZCTEOSA-N 0 0 313.397 3.889 10 0 DHAERN CC1(C)[C@@H]2CN(C(=O)N[C@H]3CC(C)(C)Oc4ccccc43)C[C@@H]21 ZINC000177583075 340441821 /nfs/dbraw/zinc/44/18/21/340441821.db2.gz TVFYDGSXXBRZFV-ZNMIVQPWSA-N 0 0 314.429 3.586 10 0 DHAERN CC(C)(CO)[C@H](CNc1ccncc1Cl)c1ccccc1 ZINC000179078033 340452960 /nfs/dbraw/zinc/45/29/60/340452960.db2.gz ZIUAHHOHGVAOGZ-CQSZACIVSA-N 0 0 304.821 3.949 10 0 DHAERN C[C@@H]1C[C@H](C(=O)NC[C@@H](CCO)c2ccccc2)CC(C)(C)C1 ZINC000184166339 340491145 /nfs/dbraw/zinc/49/11/45/340491145.db2.gz DWPATTLZHFUTBW-NXHRZFHOSA-N 0 0 317.473 3.731 10 0 DHAERN COc1ccccc1NC(=O)c1ncoc1-c1ccc(F)cc1 ZINC000184552042 340493876 /nfs/dbraw/zinc/49/38/76/340493876.db2.gz YVVIPFRAFZFRBY-UHFFFAOYSA-N 0 0 312.300 3.742 10 0 DHAERN CC[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000184627490 340494496 /nfs/dbraw/zinc/49/44/96/340494496.db2.gz BBAJIFDCOKUJOM-RDBSUJKOSA-N 0 0 321.383 3.773 10 0 DHAERN Cc1ccccc1[C@H](C)NC(=O)CCc1cccc2c1OCO2 ZINC000184786436 340495633 /nfs/dbraw/zinc/49/56/33/340495633.db2.gz LJEARUQMBDAYOX-AWEZNQCLSA-N 0 0 311.381 3.534 10 0 DHAERN C[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000185400443 340500717 /nfs/dbraw/zinc/50/07/17/340500717.db2.gz BRNCAOGOCAAJRA-MRVPVSSYSA-N 0 0 319.810 3.580 10 0 DHAERN COc1ccc(F)cc1CC(=O)N[C@H](C)c1ccccc1C ZINC000185508489 340502045 /nfs/dbraw/zinc/50/20/45/340502045.db2.gz VUYJJEHAVSCNMU-CYBMUJFWSA-N 0 0 301.361 3.563 10 0 DHAERN CC(C)C[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000185517591 340502237 /nfs/dbraw/zinc/50/22/37/340502237.db2.gz TVGVVHFKTGEQKI-OCCSQVGLSA-N 0 0 301.352 3.958 10 0 DHAERN C[C@@H](NC(=O)NC[C@@H]1CCC(C)(C)O1)c1ccc(Cl)s1 ZINC000186168671 340508980 /nfs/dbraw/zinc/50/89/80/340508980.db2.gz TXDSJDBNZQWUFC-ZJUUUORDSA-N 0 0 316.854 3.719 10 0 DHAERN CCc1ccc(C2=CCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)cc1 ZINC000189961648 340541348 /nfs/dbraw/zinc/54/13/48/340541348.db2.gz BTMCNTZOZFYFCV-DNVCBOLYSA-N 0 0 313.441 3.680 10 0 DHAERN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1cn2ccnc2s1 ZINC000190103442 340542725 /nfs/dbraw/zinc/54/27/25/340542725.db2.gz HGAFDISJIQTVED-JTQLQIEISA-N 0 0 319.817 3.882 10 0 DHAERN C[C@H]1OCCC[C@H]1C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000190658537 340546281 /nfs/dbraw/zinc/54/62/81/340546281.db2.gz KZXZEHKGGDALFF-IUODEOHRSA-N 0 0 309.837 3.549 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCC(F)(F)C(F)F)cc1 ZINC000191368812 340553402 /nfs/dbraw/zinc/55/34/02/340553402.db2.gz LTZVBPCZWXRMCY-STQMWFEESA-N 0 0 317.326 3.930 10 0 DHAERN CCc1ccc([C@H](C)NC(=O)N2CCS[C@H](C)CC2)cc1 ZINC000192223524 340564650 /nfs/dbraw/zinc/56/46/50/340564650.db2.gz KLAIQKCRWICNRB-KGLIPLIRSA-N 0 0 306.475 3.847 10 0 DHAERN Cc1cnn([C@H]2CCCN(C(=O)c3ccc(C)cc3Cl)C2)c1 ZINC000192350010 340566318 /nfs/dbraw/zinc/56/63/18/340566318.db2.gz FIUPAISRJDDHDN-AWEZNQCLSA-N 0 0 317.820 3.631 10 0 DHAERN O=C1N[C@@H](c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 ZINC000192401829 340566884 /nfs/dbraw/zinc/56/68/84/340566884.db2.gz DPDVBFMCLIUXLS-ZDUSSCGKSA-N 0 0 321.163 3.791 10 0 DHAERN CC(C)(CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccccc1 ZINC000041109390 340709474 /nfs/dbraw/zinc/70/94/74/340709474.db2.gz CSRPBPUMYWQDCY-SJORKVTESA-N 0 0 301.430 3.524 10 0 DHAERN CCC[C@H](C(=O)NC1(c2noc(C3CC3)n2)CCCC1)C(C)C ZINC000123730904 340794082 /nfs/dbraw/zinc/79/40/82/340794082.db2.gz LFHPCXXEWVCJDT-AWEZNQCLSA-N 0 0 319.449 3.905 10 0 DHAERN C[C@@H](c1ccncc1)N(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000129251719 340951998 /nfs/dbraw/zinc/95/19/98/340951998.db2.gz VBSZYMWFUZNQNW-IPQZGBMFSA-N 0 0 313.445 3.609 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)N1CCc2ccc(Br)cc21 ZINC000542212686 341000567 /nfs/dbraw/zinc/00/05/67/341000567.db2.gz JCGHTDQNBBVENM-ZWNOBZJWSA-N 0 0 308.219 3.774 10 0 DHAERN Cn1c(CSc2ccccc2Br)nnc1C1CC1 ZINC000130594979 341030729 /nfs/dbraw/zinc/03/07/29/341030729.db2.gz WOVMCDJVPBJXCE-UHFFFAOYSA-N 0 0 324.247 3.747 10 0 DHAERN COC(=O)[C@H](N[C@H](C)c1ccc(F)c(F)c1)c1ccccc1 ZINC000072588788 341092552 /nfs/dbraw/zinc/09/25/52/341092552.db2.gz XDIOGJNCPXPRKS-BDJLRTHQSA-N 0 0 305.324 3.530 10 0 DHAERN Oc1ccccc1OCc1nc(-c2cccc(Cl)c2)no1 ZINC000131887825 341113269 /nfs/dbraw/zinc/11/32/69/341113269.db2.gz RJZJPGJNWMCFBA-UHFFFAOYSA-N 0 0 302.717 3.675 10 0 DHAERN COc1ccccc1C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000073434198 341116609 /nfs/dbraw/zinc/11/66/09/341116609.db2.gz RACHOGUHRRVJMU-WDEREUQCSA-N 0 0 301.308 3.546 10 0 DHAERN CC(C)[C@H](C)NC(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000133677200 341181429 /nfs/dbraw/zinc/18/14/29/341181429.db2.gz DHJQKWBLNURAAP-STQMWFEESA-N 0 0 310.825 3.547 10 0 DHAERN CC[C@H](Cc1ccccc1Br)C(=O)N[C@H]1C[C@@H]1C ZINC000133877036 341196244 /nfs/dbraw/zinc/19/62/44/341196244.db2.gz FZNMDABWUSRISD-WDMOLILDSA-N 0 0 310.235 3.542 10 0 DHAERN CSC[C@@H](C)NC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000077800899 341230859 /nfs/dbraw/zinc/23/08/59/341230859.db2.gz BPUSSHUUWJZQQT-CHWSQXEVSA-N 0 0 302.443 3.952 10 0 DHAERN CCn1cc(NC(=O)N[C@H](C)c2ccc3ccccc3c2)cn1 ZINC000078237829 341238753 /nfs/dbraw/zinc/23/87/53/341238753.db2.gz PZQVDQHEFABGCC-CYBMUJFWSA-N 0 0 308.385 3.939 10 0 DHAERN CCCCCc1ccc(NC(=O)N[C@H](CO)CC(C)C)cc1 ZINC000078601184 341244778 /nfs/dbraw/zinc/24/47/78/341244778.db2.gz LZCOATNDAWFSGC-KRWDZBQOSA-N 0 0 306.450 3.948 10 0 DHAERN CCCOc1ccc(NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1Cl ZINC000136162658 341254146 /nfs/dbraw/zinc/25/41/46/341254146.db2.gz GKNDAIWIJRDNET-MRXNPFEDSA-N 0 0 310.825 3.600 10 0 DHAERN COCc1cc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)no1 ZINC000079485540 341259614 /nfs/dbraw/zinc/25/96/14/341259614.db2.gz RFCJDSPKMKMGLR-LBPRGKRZSA-N 0 0 316.401 3.610 10 0 DHAERN Cc1cc2cc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)oc2cc1C ZINC000079614327 341262000 /nfs/dbraw/zinc/26/20/00/341262000.db2.gz LFNRDEBSQKEHAG-HZPDHXFCSA-N 0 0 313.397 3.833 10 0 DHAERN CC(C)[C@H]1CC[C@H](C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000245513416 341298629 /nfs/dbraw/zinc/29/86/29/341298629.db2.gz OTWYOQXWBFEMAJ-MTNOOBJLSA-N 0 0 307.478 3.602 10 0 DHAERN C[C@@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)c1ccc2ccccc2c1 ZINC000245900311 341317727 /nfs/dbraw/zinc/31/77/27/341317727.db2.gz DORRNHBCAWJICK-RBSFLKMASA-N 0 0 312.413 3.720 10 0 DHAERN C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000246093500 341325223 /nfs/dbraw/zinc/32/52/23/341325223.db2.gz VMWXJKAXARKHNA-GPCCPHFNSA-N 0 0 316.228 3.608 10 0 DHAERN CC[C@H](C)Oc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000246112506 341327033 /nfs/dbraw/zinc/32/70/33/341327033.db2.gz CHTAVITUKJLVDZ-BMGDILEWSA-N 0 0 317.429 3.648 10 0 DHAERN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C[C@@H](O)C(C)C ZINC000246262350 341339013 /nfs/dbraw/zinc/33/90/13/341339013.db2.gz LJKYNNZPGVSKIH-CRAIPNDOSA-N 0 0 318.461 3.719 10 0 DHAERN C[C@@H]1CC[C@H](CCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)O1 ZINC000246728865 341356397 /nfs/dbraw/zinc/35/63/97/341356397.db2.gz MPSWWMIVTLENQD-FVCCEPFGSA-N 0 0 307.356 3.571 10 0 DHAERN CC(C)[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)c1ccccc1 ZINC000246902944 341358482 /nfs/dbraw/zinc/35/84/82/341358482.db2.gz FHPHHLNUSATISH-CMKODMSKSA-N 0 0 315.457 3.580 10 0 DHAERN CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@@H](C)[C@H]2C)cc1 ZINC000248198012 341374648 /nfs/dbraw/zinc/37/46/48/341374648.db2.gz XSFGINBKRADIQF-BODMPHMZSA-N 0 0 301.430 3.549 10 0 DHAERN CCC[C@@H]1C[C@H](C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CCO1 ZINC000248568464 341380175 /nfs/dbraw/zinc/38/01/75/341380175.db2.gz NUTOWBZNBMDYKZ-ZOBORPQBSA-N 0 0 321.383 3.819 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1CCCc1ccccc1 ZINC000249347211 341396549 /nfs/dbraw/zinc/39/65/49/341396549.db2.gz FHYMAFOSNICNID-QXAKKESOSA-N 0 0 315.457 3.815 10 0 DHAERN O=C(CC[C@@H]1CCCCO1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153225131 341530687 /nfs/dbraw/zinc/53/06/87/341530687.db2.gz MQCHJKXSRZAKAD-DOTOQJQBSA-N 0 0 305.393 3.669 10 0 DHAERN CS[C@@H](C)CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000154279336 341587547 /nfs/dbraw/zinc/58/75/47/341587547.db2.gz ZPRYVIQSOXYNRP-DTWKUNHWSA-N 0 0 304.818 3.591 10 0 DHAERN COc1ccc([C@H](NC(=O)N[C@H](C)C(C)C)C(F)(F)F)cc1 ZINC000155020783 341600197 /nfs/dbraw/zinc/60/01/97/341600197.db2.gz NAVVVHZCRAOMPI-MFKMUULPSA-N 0 0 318.339 3.642 10 0 DHAERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N[C@H](C)C(C)C ZINC000155322673 341606218 /nfs/dbraw/zinc/60/62/18/341606218.db2.gz SPNUMVBDGPORCZ-GFCCVEGCSA-N 0 0 305.809 3.608 10 0 DHAERN CC(C)c1nc2ccc(NC(=O)C[C@@H](O)C(C)C)cc2s1 ZINC000157614721 341642053 /nfs/dbraw/zinc/64/20/53/341642053.db2.gz BUABWBQZAMLNJH-CYBMUJFWSA-N 0 0 306.431 3.765 10 0 DHAERN CC(C)CCOc1ccc([C@H](C)NC(=O)C[C@H](O)C(C)C)cc1 ZINC000158577184 341659661 /nfs/dbraw/zinc/65/96/61/341659661.db2.gz XAMKNQMGCQOLCY-YJBOKZPZSA-N 0 0 321.461 3.696 10 0 DHAERN CC[C@@H]1CN(C(=O)[C@@H]2CC[C@H](C)O2)CC[C@@H]1c1ccccc1 ZINC000158862472 341665476 /nfs/dbraw/zinc/66/54/76/341665476.db2.gz PSWGXIJKXWSIDJ-MVJTYMMSSA-N 0 0 301.430 3.596 10 0 DHAERN CC(C)n1cc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cn1 ZINC000163613446 341700030 /nfs/dbraw/zinc/70/00/30/341700030.db2.gz FCLVASPZUHVMDW-AWEZNQCLSA-N 0 0 322.453 3.523 10 0 DHAERN CCCCOc1cccc(NC(=O)N2CCS[C@@H](C)C2)c1 ZINC000171379052 341776519 /nfs/dbraw/zinc/77/65/19/341776519.db2.gz YJEYRWZKVUIYEF-ZDUSSCGKSA-N 0 0 308.447 3.835 10 0 DHAERN C[C@@H]1CCC[C@H]1C(=O)NCc1csc(Br)c1 ZINC000342396092 341837348 /nfs/dbraw/zinc/83/73/48/341837348.db2.gz NODDEUOIVVMKIP-PSASIEDQSA-N 0 0 302.237 3.563 10 0 DHAERN CCCC1(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)CCC1 ZINC000177251517 341918319 /nfs/dbraw/zinc/91/83/19/341918319.db2.gz NRKYMMQZULHCIU-LBPRGKRZSA-N 0 0 306.372 3.941 10 0 DHAERN CC(C)C[C@H](NC(=O)[C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000080534508 517433447 /nfs/dbraw/zinc/43/34/47/517433447.db2.gz JXJIRMYZDNODIO-SJORKVTESA-N 0 0 311.429 3.664 10 0 DHAERN CC1(C)[C@@H]2CN(C(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)C[C@@H]21 ZINC000177583083 517518793 /nfs/dbraw/zinc/51/87/93/517518793.db2.gz TVFYDGSXXBRZFV-QLFBSQMISA-N 0 0 314.429 3.586 10 0 DHAERN CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000180000229 519441796 /nfs/dbraw/zinc/44/17/96/519441796.db2.gz MTDZHPDVAHQJRM-CRAIPNDOSA-N 0 0 303.446 3.674 10 0 DHAERN CC(C)[C@@H](C)NC(=O)[C@@H](C)c1ccc(Br)s1 ZINC000173234431 519792200 /nfs/dbraw/zinc/79/22/00/519792200.db2.gz AVGUDPSDCRHLRN-DTWKUNHWSA-N 0 0 304.253 3.775 10 0 DHAERN CC(C)[C@H](C)NC(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000111794761 519812629 /nfs/dbraw/zinc/81/26/29/519812629.db2.gz LDNMTDSXTGRPSK-INIZCTEOSA-N 0 0 318.461 3.669 10 0 DHAERN CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCc2nccs2)cc1 ZINC000130617724 519840336 /nfs/dbraw/zinc/84/03/36/519840336.db2.gz GNSRTETXCOVLMV-CVEARBPZSA-N 0 0 314.454 3.729 10 0 DHAERN CC(C)c1nc2c(n1C)CCN(c1ccnc3ccsc31)C2 ZINC000266367484 519869198 /nfs/dbraw/zinc/86/91/98/519869198.db2.gz LHGRLIVSODADKW-UHFFFAOYSA-N 0 0 312.442 3.716 10 0 DHAERN CC(C)c1nnc(CSCc2csc(C3CC3)n2)n1C ZINC000182360051 519888937 /nfs/dbraw/zinc/88/89/37/519888937.db2.gz QYYXTAVNHPMSTE-UHFFFAOYSA-N 0 0 308.476 3.706 10 0 DHAERN CC(C)n1ccnc1CNc1ccccc1C(=O)NC(C)(C)C ZINC000124197824 520034906 /nfs/dbraw/zinc/03/49/06/520034906.db2.gz CCGYVZBRXSSSJR-UHFFFAOYSA-N 0 0 314.433 3.604 10 0 DHAERN CC(C)n1nnnc1CSc1cc(Cl)ccc1Cl ZINC000107078209 520147229 /nfs/dbraw/zinc/14/72/29/520147229.db2.gz LTBCYDALRMJCMU-UHFFFAOYSA-N 0 0 303.218 3.853 10 0 DHAERN CCCCC[C@@H](CC)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000180625786 520289674 /nfs/dbraw/zinc/28/96/74/520289674.db2.gz NIQIECBULIJMGK-ZIAGYGMSSA-N 0 0 310.463 3.650 10 0 DHAERN CCCCC[C@H](CC)C(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000180625806 520310580 /nfs/dbraw/zinc/31/05/80/520310580.db2.gz NIQIECBULIJMGK-UONOGXRCSA-N 0 0 310.463 3.650 10 0 DHAERN CCCCOc1ccc(OC)cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000188608425 520892134 /nfs/dbraw/zinc/89/21/34/520892134.db2.gz FSVPRONJVNPNMK-HIFRSBDPSA-N 0 0 321.417 3.628 10 0 DHAERN CCOc1ccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000180587295 521084900 /nfs/dbraw/zinc/08/49/00/521084900.db2.gz CAKAMRCVIHIXPX-MRXNPFEDSA-N 0 0 314.389 3.568 10 0 DHAERN CCC[C@H](NC(=O)C1CCC(C(=O)OC)CC1)c1ccccc1 ZINC000179900562 521121807 /nfs/dbraw/zinc/12/18/07/521121807.db2.gz JQASQPZCQAAJFJ-JCYILVPMSA-N 0 0 317.429 3.623 10 0 DHAERN CCC(=O)N1CC[C@@H](C(=O)O[C@H](CC)c2cccc(Cl)c2)C1 ZINC000124750288 521131146 /nfs/dbraw/zinc/13/11/46/521131146.db2.gz VFOLMXROZUEKGX-UKRRQHHQSA-N 0 0 323.820 3.593 10 0 DHAERN CCOc1cccc(CN2CCC[C@H]2c2noc(C(C)C)n2)c1 ZINC000127752782 521341618 /nfs/dbraw/zinc/34/16/18/521341618.db2.gz MQDVSYNVCRAMKC-INIZCTEOSA-N 0 0 315.417 3.929 10 0 DHAERN CCCCc1noc([C@@H](C)SCc2nnc(C(C)C)n2C)n1 ZINC000182354831 521346799 /nfs/dbraw/zinc/34/67/99/521346799.db2.gz MKAVYDRAHMTOIM-LLVKDONJSA-N 0 0 323.466 3.659 10 0 DHAERN CCOC(=O)c1ccc(CN2CCCC[C@H]2c2nccs2)o1 ZINC000127726508 521475426 /nfs/dbraw/zinc/47/54/26/521475426.db2.gz JATDVOYTWJQQMH-ZDUSSCGKSA-N 0 0 320.414 3.640 10 0 DHAERN CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccccc2C)cc1 ZINC000182532474 521686089 /nfs/dbraw/zinc/68/60/89/521686089.db2.gz KNYFZQMEDLWBMT-CQSZACIVSA-N 0 0 318.442 3.930 10 0 DHAERN COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1C ZINC000103244433 522110896 /nfs/dbraw/zinc/11/08/96/522110896.db2.gz PRNRLTNTUXMISZ-GFCCVEGCSA-N 0 0 316.357 3.566 10 0 DHAERN CCc1csc([C@H]2CCCN(C(=O)N(CC)C(C)C)C2)n1 ZINC000162788370 522117917 /nfs/dbraw/zinc/11/79/17/522117917.db2.gz ILBGLUPGYLJQHD-ZDUSSCGKSA-N 0 0 309.479 3.735 10 0 DHAERN CC[C@H](NC(=O)N[C@@H](C)c1ccc(F)c(F)c1)c1ccncc1 ZINC000174531778 522462138 /nfs/dbraw/zinc/46/21/38/522462138.db2.gz ZIBVNNZFHKXLCR-ZBEGNZNMSA-N 0 0 319.355 3.871 10 0 DHAERN COC[C@H](C)C(=O)Nc1nc(-c2ccc(C)s2)c(C)s1 ZINC000103412475 522554950 /nfs/dbraw/zinc/55/49/50/522554950.db2.gz NHTXFNNJVZUWKM-QMMMGPOBSA-N 0 0 310.444 3.709 10 0 DHAERN CCc1nnc(CN2CCC[C@@H](c3nc(C(C)C)cs3)C2)o1 ZINC000127842056 522729962 /nfs/dbraw/zinc/72/99/62/522729962.db2.gz VVPCUPHXEZWCKN-GFCCVEGCSA-N 0 0 320.462 3.592 10 0 DHAERN CCc1oc(C(=O)N2CCCC[C@H]2c2nccs2)cc1C ZINC000154661870 522975605 /nfs/dbraw/zinc/97/56/05/522975605.db2.gz DMKSNNVBKDNOEV-LBPRGKRZSA-N 0 0 304.415 3.974 10 0 DHAERN COCCC1(CNC(=O)N[C@H](C)c2ccc(C)o2)CCCC1 ZINC000156025253 523047889 /nfs/dbraw/zinc/04/78/89/523047889.db2.gz RGAVOBHAINGCKX-CQSZACIVSA-N 0 0 308.422 3.545 10 0 DHAERN CCc1sc([C@@H](C)Nc2cnn(C)c(=O)c2Cl)cc1C ZINC000157787247 523076377 /nfs/dbraw/zinc/07/63/77/523076377.db2.gz RKEYFLOLQSXBNL-SECBINFHSA-N 0 0 311.838 3.539 10 0 DHAERN CCn1cc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)cn1 ZINC000124096119 523354489 /nfs/dbraw/zinc/35/44/89/523354489.db2.gz OGNJYGCIXMDBRX-UHFFFAOYSA-N 0 0 317.820 3.576 10 0 DHAERN CCn1cc(C2CCN(Cc3cc(F)c(F)c(F)c3)CC2)cn1 ZINC000128117708 523357299 /nfs/dbraw/zinc/35/72/99/523357299.db2.gz BYBVXSKYRWYCLK-UHFFFAOYSA-N 0 0 323.362 3.700 10 0 DHAERN CCc1ccc([C@H]2CCCCN2C(=O)c2scnc2C)o1 ZINC000128382934 524053699 /nfs/dbraw/zinc/05/36/99/524053699.db2.gz DHPVUVWEERPLMB-CYBMUJFWSA-N 0 0 304.415 3.974 10 0 DHAERN Cc1cc(C)c(CC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)c1 ZINC000180166979 524254332 /nfs/dbraw/zinc/25/43/32/524254332.db2.gz AZUJRRBAMNZRNJ-GOSISDBHSA-N 0 0 311.429 3.631 10 0 DHAERN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H]1CCCO[C@H]1C ZINC000191490877 524322790 /nfs/dbraw/zinc/32/27/90/524322790.db2.gz WYDOLWQRFJXJCC-MPGHIAIKSA-N 0 0 301.430 3.629 10 0 DHAERN C[C@H]1CC[C@H](C(=O)N(CC(F)F)c2cccc(Cl)c2)O1 ZINC000157126075 524379135 /nfs/dbraw/zinc/37/91/35/524379135.db2.gz UJOKFNGZQXGRFW-JOYOIKCWSA-N 0 0 303.736 3.506 10 0 DHAERN C[C@H]1CC[C@H](NC(=O)c2ccnc(F)c2F)c2ccccc21 ZINC000193607233 524422094 /nfs/dbraw/zinc/42/20/94/524422094.db2.gz MSUADNLFKVMGSR-HZMBPMFUSA-N 0 0 302.324 3.728 10 0 DHAERN COc1ccc(NC(=O)N2CCCC[C@@H]2c2cccn2C)cc1 ZINC000176976807 524544468 /nfs/dbraw/zinc/54/44/68/524544468.db2.gz OXAVLFNZGUENKJ-QGZVFWFLSA-N 0 0 313.401 3.793 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2Cl)O1 ZINC000153302795 524637264 /nfs/dbraw/zinc/63/72/64/524637264.db2.gz IDKPXEGMXBTESG-RDDDGLTNSA-N 0 0 318.598 3.609 10 0 DHAERN C[C@@H]1CC[C@H](C(=O)Nc2cccc(N3CCCCCC3)c2)O1 ZINC000156139184 524639909 /nfs/dbraw/zinc/63/99/09/524639909.db2.gz QHMFGVGGILAGEE-RHSMWYFYSA-N 0 0 302.418 3.573 10 0 DHAERN C[C@H]1COCC[C@H]1Nc1ccc(OC(F)F)c2ncccc12 ZINC000195107247 524734918 /nfs/dbraw/zinc/73/49/18/524734918.db2.gz OXEJIDONTCGWAW-CMPLNLGQSA-N 0 0 308.328 3.673 10 0 DHAERN Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000180597728 524859824 /nfs/dbraw/zinc/85/98/24/524859824.db2.gz ICWFNNRBGKLDIV-OAHLLOKOSA-N 0 0 302.353 3.616 10 0 DHAERN C[C@H]1C[C@H](C(=O)Nc2nc3c(s2)COCC3)CC(C)(C)C1 ZINC000180129884 524871614 /nfs/dbraw/zinc/87/16/14/524871614.db2.gz DFSPKVFNORRFPN-QWRGUYRKSA-N 0 0 308.447 3.617 10 0 DHAERN C[C@H](NC(=O)C[C@@H](O)c1ccc(Cl)cc1)c1cccs1 ZINC000179611686 524981376 /nfs/dbraw/zinc/98/13/76/524981376.db2.gz IYLXTOLFWHGRIN-GXFFZTMASA-N 0 0 309.818 3.702 10 0 DHAERN C[C@H](NC(=O)Cc1ccccc1OC(F)F)c1cccs1 ZINC000172323964 524990653 /nfs/dbraw/zinc/99/06/53/524990653.db2.gz JPFHFBVQPBWJCJ-JTQLQIEISA-N 0 0 311.353 3.769 10 0 DHAERN Cc1ccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c(F)c1 ZINC000180601086 525124026 /nfs/dbraw/zinc/12/40/26/525124026.db2.gz SKKHFRFKHXFCPH-HNNXBMFYSA-N 0 0 302.353 3.616 10 0 DHAERN COc1ccc([C@@H](C)N[C@@H](C)c2ccc(C)o2)cc1NC(C)=O ZINC000158164097 525159653 /nfs/dbraw/zinc/15/96/53/525159653.db2.gz WMDKOIJUKXEJOF-OLZOCXBDSA-N 0 0 316.401 3.967 10 0 DHAERN C[C@H](NC(=O)[C@H](C)[S@@](=O)CC1CCCCC1)c1ccccc1 ZINC000170979249 525165391 /nfs/dbraw/zinc/16/53/91/525165391.db2.gz HJKSAUBAKZJESQ-DFFLPILJSA-N 0 0 321.486 3.581 10 0 DHAERN C[C@@H]1C[C@@H](C(=O)Nc2nc3c(s2)COCC3)CC(C)(C)C1 ZINC000180129902 525191877 /nfs/dbraw/zinc/19/18/77/525191877.db2.gz DFSPKVFNORRFPN-GHMZBOCLSA-N 0 0 308.447 3.617 10 0 DHAERN C[C@@H](NC(=O)[C@@H]1CCCc2c(O)cccc21)c1cccs1 ZINC000190014105 525269448 /nfs/dbraw/zinc/26/94/48/525269448.db2.gz SGEJEMQTQKIDJQ-BXUZGUMPSA-N 0 0 301.411 3.751 10 0 DHAERN CSCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000188262424 525424151 /nfs/dbraw/zinc/42/41/51/525424151.db2.gz YEBSNUVBYAYQEO-CHWSQXEVSA-N 0 0 313.413 3.718 10 0 DHAERN Cc1[nH]c2ccccc2c1C(=O)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000114201418 525434123 /nfs/dbraw/zinc/43/41/23/525434123.db2.gz BEYLVHBOCZDNTF-KRWDZBQOSA-N 0 0 322.412 3.609 10 0 DHAERN C[C@H](NCc1nc(-c2ccccc2F)no1)c1cccs1 ZINC000189189801 525486473 /nfs/dbraw/zinc/48/64/73/525486473.db2.gz ZPNAHCZEMCVGAY-JTQLQIEISA-N 0 0 303.362 3.788 10 0 DHAERN C[C@H](NCc1nnc(C2CC2)n1C)c1cccc2ccccc21 ZINC000181649179 525496042 /nfs/dbraw/zinc/49/60/42/525496042.db2.gz WLBGODYLXCCXQF-ZDUSSCGKSA-N 0 0 306.413 3.697 10 0 DHAERN CSCC[C@@H](NC(=O)[C@H]1CC1(C)C)c1nc2ccccc2[nH]1 ZINC000127379521 525551233 /nfs/dbraw/zinc/55/12/33/525551233.db2.gz ZLSUPPBLUYKSNO-BXUZGUMPSA-N 0 0 317.458 3.519 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cccc(SC(F)F)c1 ZINC000191128114 525557269 /nfs/dbraw/zinc/55/72/69/525557269.db2.gz XLFCUVKTIUGHOS-CABZTGNLSA-N 0 0 301.358 3.755 10 0 DHAERN C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1NC1CC1 ZINC000188649117 525557423 /nfs/dbraw/zinc/55/74/23/525557423.db2.gz HXBVOYIXVKVMJE-GWCFXTLKSA-N 0 0 308.809 3.668 10 0 DHAERN C[C@@H]1OCCC[C@H]1C(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000189184890 525559235 /nfs/dbraw/zinc/55/92/35/525559235.db2.gz WKTFMNFOUACUAN-SMDDNHRTSA-N 0 0 315.335 3.935 10 0 DHAERN C[C@@H](N[C@H](C)c1nnnn1C1CCCCC1)c1cccs1 ZINC000189738863 525664530 /nfs/dbraw/zinc/66/45/30/525664530.db2.gz NEJAKKXKGHHORN-VXGBXAGGSA-N 0 0 305.451 3.652 10 0 DHAERN Cc1ccc([C@@H](C)NC(=O)c2cc(-c3cccs3)n[nH]2)o1 ZINC000107693716 525713556 /nfs/dbraw/zinc/71/35/56/525713556.db2.gz WGNMTLJLQKHZGF-SNVBAGLBSA-N 0 0 301.371 3.531 10 0 DHAERN CS[C@@H](C)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000129717502 525782050 /nfs/dbraw/zinc/78/20/50/525782050.db2.gz CPSHYSYYKSCLEM-JSGCOSHPSA-N 0 0 305.443 3.691 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2F)o1 ZINC000127623958 525797049 /nfs/dbraw/zinc/79/70/49/525797049.db2.gz LYJUKPBIZILKRD-HNNXBMFYSA-N 0 0 317.360 3.860 10 0 DHAERN Cc1ccc([C@@H]2CCCCN2Cc2cn(C(C)(C)C)nn2)o1 ZINC000191369522 525803479 /nfs/dbraw/zinc/80/34/79/525803479.db2.gz CJTUUKXSAVFHQT-HNNXBMFYSA-N 0 0 302.422 3.662 10 0 DHAERN Cc1ccc(Br)cc1NC(=O)[C@H]1CCCO[C@H]1C ZINC000188895261 525987415 /nfs/dbraw/zinc/98/74/15/525987415.db2.gz KKADFVLFRIUGNC-JQWIXIFHSA-N 0 0 312.207 3.511 10 0 DHAERN Cc1cnc([C@@H](C)CNC(=O)N[C@@H](C)c2cccs2)s1 ZINC000182890089 526107936 /nfs/dbraw/zinc/10/79/36/526107936.db2.gz MBDAIXDHBJNHIN-ONGXEEELSA-N 0 0 309.460 3.677 10 0 DHAERN COc1cccc(SCC(=O)N[C@H](C)c2ccc(C)o2)c1 ZINC000120044745 526245023 /nfs/dbraw/zinc/24/50/23/526245023.db2.gz RDUZOIUVZWBLDB-GFCCVEGCSA-N 0 0 305.399 3.566 10 0 DHAERN Cc1ccc2ncc(CN3CCCC[C@H]3c3nccs3)n2c1 ZINC000127745525 526257854 /nfs/dbraw/zinc/25/78/54/526257854.db2.gz OUJAOJWKDDEYGV-HNNXBMFYSA-N 0 0 312.442 3.826 10 0 DHAERN Cc1cnn([C@@H]2CCCN([C@@H](C)c3c(F)cccc3F)C2)c1 ZINC000106225748 526266481 /nfs/dbraw/zinc/26/64/81/526266481.db2.gz YZRFZIMDSONBAJ-UONOGXRCSA-N 0 0 305.372 3.868 10 0 DHAERN Cc1coc2ccc(NC(=O)N3CCC[C@@H]3Cn3ccnc3)cc12 ZINC000187975246 526294545 /nfs/dbraw/zinc/29/45/45/526294545.db2.gz VSDYRLJGXYYAFI-OAHLLOKOSA-N 0 0 324.384 3.634 10 0 DHAERN O=C(CC(F)(F)F)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000130037552 526322847 /nfs/dbraw/zinc/32/28/47/526322847.db2.gz YQLXADSKRMGHEJ-LBPRGKRZSA-N 0 0 313.319 3.892 10 0 DHAERN Oc1cccc(-c2nc(COc3ccccc3Cl)no2)c1 ZINC000040542150 526355922 /nfs/dbraw/zinc/35/59/22/526355922.db2.gz NVSDYGKWRXOJIR-UHFFFAOYSA-N 0 0 302.717 3.675 10 0 DHAERN c1cc(Oc2ccccc2)oc1CN1CCC[C@@H](n2cncn2)C1 ZINC000180430057 526436192 /nfs/dbraw/zinc/43/61/92/526436192.db2.gz IIQHTXMTZZTSFZ-OAHLLOKOSA-N 0 0 324.384 3.501 10 0 DHAERN c1csc([C@@H]2CCCCN2Cc2cccc3c2OCO3)n1 ZINC000127652444 526587050 /nfs/dbraw/zinc/58/70/50/526587050.db2.gz WWFMKVBXIGLPQT-ZDUSSCGKSA-N 0 0 302.399 3.599 10 0 DHAERN O=C(NC[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl)c1cccnc1 ZINC000156592124 526626419 /nfs/dbraw/zinc/62/64/19/526626419.db2.gz MESMTJLXARQCTM-RISCZKNCSA-N 0 0 321.207 3.922 10 0 DHAERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc([C@H]2C[C@@H]2c2ccco2)n1 ZINC000299739316 526740484 /nfs/dbraw/zinc/74/04/84/526740484.db2.gz NGOFLATUCIXPTA-MNXVOIDGSA-N 0 0 302.374 3.852 10 0 DHAERN Cc1onc(-c2ccc(C(F)(F)F)cc2)c1C(=O)N[C@H]1C[C@H]1C ZINC000191144114 526844331 /nfs/dbraw/zinc/84/43/31/526844331.db2.gz WOABEABSLREMLY-PELKAZGASA-N 0 0 324.302 3.807 10 0 DHAERN Cn1c(COc2ccc(-c3ccccc3)cc2)nnc1C1CC1 ZINC000181865126 527063026 /nfs/dbraw/zinc/06/30/26/527063026.db2.gz OOYMCBUWZLEIGS-UHFFFAOYSA-N 0 0 305.381 3.939 10 0 DHAERN O=C(Nc1cc(F)cc(Cl)c1)N1CCCC[C@H]1c1cn[nH]c1 ZINC000186767680 527118768 /nfs/dbraw/zinc/11/87/68/527118768.db2.gz RDFCAVIQYNOVGK-AWEZNQCLSA-N 0 0 322.771 3.961 10 0 DHAERN Cn1cc(CN2CCCC[C@H]2c2nccs2)c(C(C)(C)C)n1 ZINC000179964743 527199900 /nfs/dbraw/zinc/19/99/00/527199900.db2.gz NIYFIHQGNIMQLU-AWEZNQCLSA-N 0 0 318.490 3.901 10 0 DHAERN Cc1nccn1C[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 ZINC000175145984 527447484 /nfs/dbraw/zinc/44/74/84/527447484.db2.gz BZSKYZHGWAJHIJ-OAHLLOKOSA-N 0 0 318.808 3.541 10 0 DHAERN FC1(F)CCc2[nH]nc(-c3cccc(Br)c3)c2C1 ZINC000725265418 563571220 /nfs/dbraw/zinc/57/12/20/563571220.db2.gz AWTKOGWJSJWHRZ-UHFFFAOYSA-N 0 0 313.145 3.963 10 0 DHAERN Cc1c(Br)ccc2c(Cl)c([N+](=O)[O-])cnc12 ZINC000232219438 563421142 /nfs/dbraw/zinc/42/11/42/563421142.db2.gz YTEBMZRUYZZIAK-UHFFFAOYSA-N 0 0 301.527 3.867 10 0 DHAERN C[C@]12C[C@H](NC(=S)N1c1ccc(F)cc1)c1ccccc1O2 ZINC000000424763 563252881 /nfs/dbraw/zinc/25/28/81/563252881.db2.gz MIRXROIFTIRLAE-YOEHRIQHSA-N 0 0 314.385 3.760 10 0 DHAERN CCN(C)C(=O)c1csc(-c2ccc(OCC(C)C)cc2)n1 ZINC000034712177 563313530 /nfs/dbraw/zinc/31/35/30/563313530.db2.gz NVMSMLSEBFWHIJ-UHFFFAOYSA-N 0 0 318.442 3.937 10 0 DHAERN Cc1ccc2[nH]c(C3=NN[C@H](c4ccc(Cl)cc4)C3)nc2c1 ZINC000005400300 563330041 /nfs/dbraw/zinc/33/00/41/563330041.db2.gz ZDAJCZOULWPQHR-AWEZNQCLSA-N 0 0 310.788 3.963 10 0 DHAERN Cc1ccn2cc(-c3ccc(NC(=O)CC(C)C)cc3)nc2n1 ZINC000009572031 563341571 /nfs/dbraw/zinc/34/15/71/563341571.db2.gz BQHLBVWQBDHQOB-UHFFFAOYSA-N 0 0 308.385 3.689 10 0 DHAERN Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1Br ZINC000078400721 563512630 /nfs/dbraw/zinc/51/26/30/563512630.db2.gz RXWQUWKPHSZJSC-UHFFFAOYSA-N 0 0 306.138 3.714 10 0 DHAERN CC(=O)O[C@H]1CC(C)(C)[C@@H]2CC[C@]3(C)C[C@]12CC[C@H]3OC(C)=O ZINC000096023734 563557984 /nfs/dbraw/zinc/55/79/84/563557984.db2.gz ILEDHMVFQOCEJU-CTRAYCPCSA-N 0 0 322.445 3.866 10 0 biogenic DHAERN CCOC(=O)c1c(C)cc(C(F)(F)Br)nc1CC ZINC000675081336 563911528 /nfs/dbraw/zinc/91/15/28/563911528.db2.gz AEDLRSUKSZDESK-UHFFFAOYSA-N 0 0 322.149 3.573 10 0 DHAERN CC(C)(C)OC(=O)/C=C/c1cc(Br)ccc1F ZINC000094755511 563913130 /nfs/dbraw/zinc/91/31/30/563913130.db2.gz LRENHQFJNFTDJT-QPJJXVBHSA-N 0 0 301.155 3.943 10 0 DHAERN CCCCc1ccc(-n2nc3cc(N)c(OCC)cc3n2)cc1 ZINC000226264996 563913335 /nfs/dbraw/zinc/91/33/35/563913335.db2.gz SHCGAMHFXPDAFF-UHFFFAOYSA-N 0 0 310.401 3.744 10 0 DHAERN CN(C)c1ccc(NC(=O)c2cccc3ccccc32)cc1N ZINC000226263235 563913366 /nfs/dbraw/zinc/91/33/66/563913366.db2.gz CDBJGDHEAKOQMX-UHFFFAOYSA-N 0 0 305.381 3.740 10 0 DHAERN C[C@H](O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000226273079 563913531 /nfs/dbraw/zinc/91/35/31/563913531.db2.gz KGTFUYKPCYKJFI-JTQLQIEISA-N 0 0 320.186 3.755 10 0 DHAERN Nc1cc(NC(=O)c2ccccc2Cl)ccc1N1CCCC1 ZINC000226266935 563913601 /nfs/dbraw/zinc/91/36/01/563913601.db2.gz WICRXIDDKMVDLN-UHFFFAOYSA-N 0 0 315.804 3.775 10 0 DHAERN Nc1c(NCc2ccccc2)ncnc1Oc1ccc(F)cc1 ZINC000096291830 563936115 /nfs/dbraw/zinc/93/61/15/563936115.db2.gz ZOWPPGBQPSMPBI-UHFFFAOYSA-N 0 0 310.332 3.602 10 0 DHAERN