smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N[C@H](c1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000095533374 185005535 /nfs/dbraw/zinc/00/55/35/185005535.db2.gz CBXATTFVSUQOHV-ZDUSSCGKSA-N 0 3 268.295 2.659 40 0 CFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000095533716 185006954 /nfs/dbraw/zinc/00/69/54/185006954.db2.gz DVSIIOQRXVUXMO-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN Cc1ccc([C@@H](N)c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095534075 185007582 /nfs/dbraw/zinc/00/75/82/185007582.db2.gz STIDPWDKSOBSKL-MRXNPFEDSA-N 0 3 294.358 2.740 40 0 CFABHN CN(C)CCOC(=O)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000000289779 282106347 /nfs/dbraw/zinc/10/63/47/282106347.db2.gz HMPNSQYMTGMMPC-KKNUOHPOSA-N 0 3 265.397 2.698 40 0 CFABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096039313 185069636 /nfs/dbraw/zinc/06/96/36/185069636.db2.gz KRLYSIGFBFAJGL-JKSUJKDBSA-N 0 3 279.380 2.687 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048096 185072855 /nfs/dbraw/zinc/07/28/55/185072855.db2.gz PHCCTQHKROHACS-CYBMUJFWSA-N 0 3 281.421 2.908 40 0 CFABHN C[C@@]12CCN(Cc3cccc(F)c3)[C@@H]1CCCCC(=O)N2 ZINC000019713693 346242424 /nfs/dbraw/zinc/24/24/24/346242424.db2.gz FGACCXNZWBJFQO-NVXWUHKLSA-N 0 3 290.382 2.849 40 0 CFABHN O=C1C[C@@H](NCc2ccccc2)CN1Cc1ccccc1 ZINC000034419130 346316522 /nfs/dbraw/zinc/31/65/22/346316522.db2.gz KGFPCNVJJUDZEQ-QGZVFWFLSA-N 0 3 280.371 2.577 40 0 CFABHN O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1NCc1ccccn1 ZINC000585289663 348738902 /nfs/dbraw/zinc/73/89/02/348738902.db2.gz UKNZXVZJBYSQLT-RCCFBDPRSA-N 0 3 298.386 2.532 40 0 CFABHN Cc1ccccc1CN1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC000108532653 186222403 /nfs/dbraw/zinc/22/24/03/186222403.db2.gz WKFHNNALVZPCSH-GOSISDBHSA-N 0 3 286.419 2.829 40 0 CFABHN COc1cc2c(cc1OCc1ccccc1)CNCC2 ZINC000001629157 371689963 /nfs/dbraw/zinc/68/99/63/371689963.db2.gz JYFYNWZNMJYNEH-UHFFFAOYSA-N 0 3 269.344 2.920 40 0 CFABHN CCCCCOC(=O)c1ccc(NC(=O)CNCC)cc1 ZINC000001671711 371695139 /nfs/dbraw/zinc/69/51/39/371695139.db2.gz RCZPDVKDZCDAJK-UHFFFAOYSA-N 0 3 292.379 2.582 40 0 CFABHN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CC ZINC000008635813 371897863 /nfs/dbraw/zinc/89/78/63/371897863.db2.gz DZMBFUFMIDGEAW-SOUVJXGZSA-N 0 3 266.429 2.659 40 0 biogenic,in-vitro CFABHN COc1ccc([C@H]2NCCc3ccccc32)cc1OC ZINC000011597215 371921775 /nfs/dbraw/zinc/92/17/75/371921775.db2.gz BUKCIQYLSXLYGW-QGZVFWFLSA-N 0 3 269.344 2.939 40 0 CFABHN c1ccc(CNCc2n[nH]nc2-c2ccccc2)cc1 ZINC000016480079 372106814 /nfs/dbraw/zinc/10/68/14/372106814.db2.gz FUAZLKXSJPPQMG-UHFFFAOYSA-N 0 3 264.332 2.762 40 0 CFABHN c1ccc(CNCc2[nH]nnc2-c2ccccc2)cc1 ZINC000016480079 372106816 /nfs/dbraw/zinc/10/68/16/372106816.db2.gz FUAZLKXSJPPQMG-UHFFFAOYSA-N 0 3 264.332 2.762 40 0 CFABHN COC(=O)CC1CCN(Cc2ccccc2F)CC1 ZINC000015423828 372084021 /nfs/dbraw/zinc/08/40/21/372084021.db2.gz LYEWRDPPJSCYQC-UHFFFAOYSA-N 0 3 265.328 2.601 40 0 CFABHN C[C@H]1CCCCN1Cc1ccnc(-c2ccncc2)n1 ZINC000019496386 372168408 /nfs/dbraw/zinc/16/84/08/372168408.db2.gz GOMYFQALSFXUTP-ZDUSSCGKSA-N 0 3 268.364 2.913 40 0 CFABHN CN(C)CCN(Cc1ccsc1)Cc1ccncc1 ZINC000019582723 372176441 /nfs/dbraw/zinc/17/64/41/372176441.db2.gz ALQSHLWEKPRECV-UHFFFAOYSA-N 0 3 275.421 2.707 40 0 CFABHN C[C@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000026919744 372330687 /nfs/dbraw/zinc/33/06/87/372330687.db2.gz UKYJCOVBHITCED-QWHCGFSZSA-N 0 3 283.799 2.954 40 0 CFABHN COC(=O)C[C@@H](N)c1cccc(OCc2ccccc2)c1 ZINC000032500957 372441615 /nfs/dbraw/zinc/44/16/15/372441615.db2.gz YYTAWEKBLQTBNP-MRXNPFEDSA-N 0 3 285.343 2.829 40 0 CFABHN CN(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631471 372584093 /nfs/dbraw/zinc/58/40/93/372584093.db2.gz MVBSCHOLWMUJFM-INIZCTEOSA-N 0 3 271.360 2.655 40 0 CFABHN C[C@@H](CNCc1cccs1)C(=O)OC(C)(C)C ZINC000047219114 373083991 /nfs/dbraw/zinc/08/39/91/373083991.db2.gz MROWJAXUIUAUGO-JTQLQIEISA-N 0 3 255.383 2.816 40 0 CFABHN c1coc(-c2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)c1 ZINC000049169516 373272977 /nfs/dbraw/zinc/27/29/77/373272977.db2.gz VCXYQGCXWBEGKZ-ZDUSSCGKSA-N 0 3 296.330 2.714 40 0 biogenic,in-vitro CFABHN CC(C)[C@H](N)C(=O)NCc1ccc(Cl)cc1Cl ZINC000057571371 373599320 /nfs/dbraw/zinc/59/93/20/373599320.db2.gz GBYGVOFSWPXYRD-NSHDSACASA-N 0 3 275.179 2.593 40 0 CFABHN CN1CCC(O)(c2cc(Cl)cc(Cl)c2)CC1 ZINC000079030404 374584009 /nfs/dbraw/zinc/58/40/09/374584009.db2.gz HWBHOCMSIPAXEL-UHFFFAOYSA-N 0 3 260.164 2.907 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(F)c1)C(C)C ZINC000079420626 374609454 /nfs/dbraw/zinc/60/94/54/374609454.db2.gz FRVNRTFVUSEMLF-AWEZNQCLSA-N 0 3 266.360 2.546 40 0 CFABHN CN1CCC[C@@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332600 374737645 /nfs/dbraw/zinc/73/76/45/374737645.db2.gz GXNCXRIOHPCFRG-SNVBAGLBSA-N 0 3 286.297 2.986 40 0 CFABHN c1csc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096184637 375475116 /nfs/dbraw/zinc/47/51/16/375475116.db2.gz RBXJIAVWEFDIFQ-DLBZAZTESA-N 0 3 299.443 2.992 40 0 CFABHN c1coc(CN2C[C@@H]3CCN(Cc4ccco4)[C@@H]3C2)c1 ZINC000096246072 375482047 /nfs/dbraw/zinc/48/20/47/375482047.db2.gz VNCRKFGFDGZGHP-XJKSGUPXSA-N 0 3 272.348 2.579 40 0 CFABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(C)C)C[C@@H]12 ZINC000096251846 375482398 /nfs/dbraw/zinc/48/23/98/375482398.db2.gz NPAMZSABRLNJPF-MSOLQXFVSA-N 0 3 286.419 2.659 40 0 CFABHN CCN(CC)CCNCc1cn(C2CCCC2)nc1C ZINC000256050259 190003015 /nfs/dbraw/zinc/00/30/15/190003015.db2.gz DIQLPPJMJLEKLS-UHFFFAOYSA-N 0 3 278.444 2.738 40 0 CFABHN CCCn1nc(C)cc1CNCCc1cccc(OC)c1 ZINC000256051010 190003876 /nfs/dbraw/zinc/00/38/76/190003876.db2.gz HJIHAYDCXIQZLI-UHFFFAOYSA-N 0 3 287.407 2.942 40 0 CFABHN CN1C(=O)CCC[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000257203407 190011173 /nfs/dbraw/zinc/01/11/73/190011173.db2.gz APXFCCXWGSFXMR-UONOGXRCSA-N 0 3 278.421 2.581 40 0 CFABHN CC(C)n1nccc1-c1cnc([C@H]2CCCN(C)C2)cn1 ZINC000257203089 190011875 /nfs/dbraw/zinc/01/18/75/190011875.db2.gz AOQLESJILYYMCB-ZDUSSCGKSA-N 0 3 285.395 2.730 40 0 CFABHN c1ncc(CN2CCC[C@H](Cc3cccnc3)C2)s1 ZINC000257227321 190015404 /nfs/dbraw/zinc/01/54/04/190015404.db2.gz FOSIBNJSSOBLNO-CQSZACIVSA-N 0 3 273.405 2.993 40 0 CFABHN CO[C@H]1CCN(Cc2ccc(C)cc2)C[C@@]12CCCO2 ZINC000257223323 190014439 /nfs/dbraw/zinc/01/44/39/190014439.db2.gz DWVSCUSTVQMEQQ-IRXDYDNUSA-N 0 3 275.392 2.765 40 0 CFABHN Cc1cnc(C2(C)CCN([C@@H]3CCOC3)CC2)s1 ZINC000257251825 190020160 /nfs/dbraw/zinc/02/01/60/190020160.db2.gz JSKHYAQRKPSUOE-GFCCVEGCSA-N 0 3 266.410 2.594 40 0 CFABHN Cc1cnccc1CN1CCC[C@H](c2ccncn2)C1 ZINC000257261770 190022030 /nfs/dbraw/zinc/02/20/30/190022030.db2.gz LISJXHZTSOKLIN-HNNXBMFYSA-N 0 3 268.364 2.560 40 0 CFABHN Fc1cccc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257261351 190022184 /nfs/dbraw/zinc/02/21/84/190022184.db2.gz LGYTULICYDHXKM-CQSZACIVSA-N 0 3 271.339 2.995 40 0 CFABHN CN1CCC[C@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257274265 190024610 /nfs/dbraw/zinc/02/46/10/190024610.db2.gz NKGKWYPMGTWBGZ-LBPRGKRZSA-N 0 3 289.379 2.626 40 0 CFABHN Cc1ncsc1CN1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257292843 190028033 /nfs/dbraw/zinc/02/80/33/190028033.db2.gz QNECJCRMIGUYHG-CYBMUJFWSA-N 0 3 288.420 2.848 40 0 CFABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cccc(C)n3)C2)n1 ZINC000257309649 190031371 /nfs/dbraw/zinc/03/13/71/190031371.db2.gz UBUSZNLIZONGIQ-CQSZACIVSA-N 0 3 270.380 2.801 40 0 CFABHN CN1CCC[C@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257311987 190031965 /nfs/dbraw/zinc/03/19/65/190031965.db2.gz ULXGWTVFCIZZGW-LBPRGKRZSA-N 0 3 275.352 2.584 40 0 CFABHN Cc1cn[nH]c1[C@H]1COCCN1CCCc1ccccc1 ZINC000257327081 190034668 /nfs/dbraw/zinc/03/46/68/190034668.db2.gz WZWDXGIHMOHHHJ-MRXNPFEDSA-N 0 3 285.391 2.724 40 0 CFABHN CCCn1nccc1-c1cncc(C2CCN(C)CC2)n1 ZINC000257327265 190034776 /nfs/dbraw/zinc/03/47/76/190034776.db2.gz XASHJXFFVKSMOD-UHFFFAOYSA-N 0 3 285.395 2.559 40 0 CFABHN Cc1cccc(Nc2cncc([C@@H]3CCCN(C)C3)n2)n1 ZINC000257328823 190034934 /nfs/dbraw/zinc/03/49/34/190034934.db2.gz XHFXPNITPWKAPC-CYBMUJFWSA-N 0 3 283.379 2.733 40 0 CFABHN NC[C@@H](c1ccccc1C(F)(F)F)N1CCCC1 ZINC000022176271 295244222 /nfs/dbraw/zinc/24/42/22/295244222.db2.gz XWYMLVUZHUASIB-LBPRGKRZSA-N 0 3 258.287 2.801 40 0 CFABHN COCCNCc1cccn1-c1cccc(C)c1C ZINC000223680609 382806396 /nfs/dbraw/zinc/80/63/96/382806396.db2.gz YKCZUWNHGHRMSH-UHFFFAOYSA-N 0 3 258.365 2.830 40 0 CFABHN CCCn1nccc1CNCCc1cccc(OC)c1 ZINC000233407555 382871423 /nfs/dbraw/zinc/87/14/23/382871423.db2.gz NGSRXVMMEYQFEF-UHFFFAOYSA-N 0 3 273.380 2.634 40 0 CFABHN c1cc2n(c1)C[C@@H](Oc1cccnc1)CN(CC1CC1)C2 ZINC000253588753 383463932 /nfs/dbraw/zinc/46/39/32/383463932.db2.gz QTHVYINPHYCHJV-KRWDZBQOSA-N 0 3 283.375 2.556 40 0 CFABHN COc1ccccc1CCNCc1cnc(SC)nc1 ZINC000062717248 393627260 /nfs/dbraw/zinc/62/72/60/393627260.db2.gz KIBSUGSJOZLLBY-UHFFFAOYSA-N 0 3 289.404 2.539 40 0 CFABHN Cc1cc(Nc2cccc([C@@H]3CCCN3C)n2)no1 ZINC000072375107 393650410 /nfs/dbraw/zinc/65/04/10/393650410.db2.gz OMGDVPIBTNRZKP-LBPRGKRZSA-N 0 3 258.325 2.888 40 0 CFABHN CN(C)CCNC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000010111507 170397747 /nfs/dbraw/zinc/39/77/47/170397747.db2.gz MUKFTMGFPOKNKY-OBGWFSINSA-N 0 3 294.398 2.905 40 0 CFABHN O=C(OCc1ccccc1)N1CCN[C@@H]2CCCC[C@H]21 ZINC000022015686 171349756 /nfs/dbraw/zinc/34/97/56/171349756.db2.gz GZTLXXIGRCPQDZ-HUUCEWRRSA-N 0 3 274.364 2.540 40 0 CFABHN C[C@H]1CCCN([C@@H](CN)c2ccc(F)cc2F)C1 ZINC000022170808 171367816 /nfs/dbraw/zinc/36/78/16/171367816.db2.gz ZERAQKLSEVJDKP-HZMBPMFUSA-N 0 3 254.324 2.697 40 0 CFABHN CCOc1ccccc1[C@@H](CN)N1CCC[C@@H](C)C1 ZINC000022211911 171373848 /nfs/dbraw/zinc/37/38/48/171373848.db2.gz BIRDXGURJZQORM-UKRRQHHQSA-N 0 3 262.397 2.817 40 0 CFABHN COc1cc2ccccc2cc1C(=O)NC1CCN(C)CC1 ZINC000023421683 171421713 /nfs/dbraw/zinc/42/17/13/171421713.db2.gz VOHNGTQRBGAGEZ-UHFFFAOYSA-N 0 3 298.386 2.672 40 0 CFABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccn2)C1 ZINC000043324325 175006417 /nfs/dbraw/zinc/00/64/17/175006417.db2.gz LRSLPXWROXDKQD-CQSZACIVSA-N 0 3 291.395 2.571 40 0 CFABHN c1cn2c(n1)nccc2[C@H]1CCCN(Cc2ccncc2)C1 ZINC000072367944 176382443 /nfs/dbraw/zinc/38/24/43/176382443.db2.gz LXAVOKATFPROSI-HNNXBMFYSA-N 0 3 293.374 2.504 40 0 CFABHN COc1ccc(CN2CCC(c3cnccn3)CC2)cc1 ZINC000072384980 176388573 /nfs/dbraw/zinc/38/85/73/176388573.db2.gz KNZNGCLSFBVBJP-UHFFFAOYSA-N 0 3 283.375 2.865 40 0 CFABHN c1ccc(OCCN2CCC(c3cnccn3)CC2)cc1 ZINC000072385395 176390044 /nfs/dbraw/zinc/39/00/44/176390044.db2.gz IPCSCSIODCCYOH-UHFFFAOYSA-N 0 3 283.375 2.735 40 0 CFABHN CN(C)c1nc2ccccc2cc1CN1CCC[C@H](CO)C1 ZINC000072397806 176395362 /nfs/dbraw/zinc/39/53/62/176395362.db2.gz XWKKTJFMPCKDQT-AWEZNQCLSA-N 0 3 299.418 2.505 40 0 CFABHN Cc1c2ccccc2[nH]c1CN1CCC[C@@H](CO)C1 ZINC000072397809 176395782 /nfs/dbraw/zinc/39/57/82/176395782.db2.gz OKVKVVRWCVMMQM-CYBMUJFWSA-N 0 3 258.365 2.681 40 0 CFABHN Brc1cccc([C@@H]2CSCCN2)c1 ZINC000070587930 275373419 /nfs/dbraw/zinc/37/34/19/275373419.db2.gz YWMWTUQFDMCQBY-JTQLQIEISA-N 0 3 258.184 2.827 40 0 CFABHN CN1CCC[C@@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000063527645 277071512 /nfs/dbraw/zinc/07/15/12/277071512.db2.gz VDURFZAZBKTOKF-MRXNPFEDSA-N 0 3 292.810 2.898 40 0 CFABHN CCNc1cc(N2CCc3cc(OC)ccc3C2)nc(C)n1 ZINC000329031720 535522655 /nfs/dbraw/zinc/52/26/55/535522655.db2.gz QKHLEQLJXUBXSC-UHFFFAOYSA-N 0 3 298.390 2.788 40 0 CFABHN Cc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533466 185005852 /nfs/dbraw/zinc/00/58/52/185005852.db2.gz PXOMJRFYQZJQLQ-CQSZACIVSA-N 0 3 264.332 2.828 40 0 CFABHN COc1cccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)c1 ZINC000095534092 185006378 /nfs/dbraw/zinc/00/63/78/185006378.db2.gz QHBVDEAZTKRFAG-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN COc1ccc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533248 185006465 /nfs/dbraw/zinc/00/64/65/185006465.db2.gz DCSZZGCYRWSQAG-CQSZACIVSA-N 0 3 298.321 2.668 40 0 CFABHN CC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2C ZINC000096052416 185073988 /nfs/dbraw/zinc/07/39/88/185073988.db2.gz WFOGTYOZVMLKMD-RDJZCZTQSA-N 0 3 290.407 2.953 40 0 CFABHN O=C1[C@H]2CN(Cc3cccs3)C[C@@H]2CN1c1ccccc1 ZINC000096053573 185074402 /nfs/dbraw/zinc/07/44/02/185074402.db2.gz UDGWCHVTEADHMY-CJNGLKHVSA-N 0 3 298.411 2.843 40 0 CFABHN CC[C@@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2 ZINC000096052391 185074889 /nfs/dbraw/zinc/07/48/89/185074889.db2.gz RTKRQVDUPQYPAE-ZFWWWQNUSA-N 0 3 278.421 2.771 40 0 CFABHN COC[C@H]1CC2(CO1)CCN(Cc1ccsc1)CC2 ZINC000096105749 185098883 /nfs/dbraw/zinc/09/88/83/185098883.db2.gz HYDKOUXQTOWMRZ-CQSZACIVSA-N 0 3 281.421 2.766 40 0 CFABHN OC[C@@H]1CCCCN1Cc1ccc2cc(F)ccc2n1 ZINC000096836633 185115737 /nfs/dbraw/zinc/11/57/37/185115737.db2.gz CJAOTCVCYAFVRE-HNNXBMFYSA-N 0 3 274.339 2.721 40 0 CFABHN CC[C@H](CO)NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540889 529392216 /nfs/dbraw/zinc/39/22/16/529392216.db2.gz VFCQVIIDFHIXJM-SWLSCSKDSA-N 0 3 289.375 2.860 40 0 CFABHN Cc1ccc(CCC(=O)NCCN2CCCCC2)cc1 ZINC000010332853 346226646 /nfs/dbraw/zinc/22/66/46/346226646.db2.gz QVYKWBVSUHSPCP-UHFFFAOYSA-N 0 3 274.408 2.530 40 0 CFABHN COCCNCc1cc(Br)c(C)s1 ZINC000085393247 179048630 /nfs/dbraw/zinc/04/86/30/179048630.db2.gz OMWBVWRAFQYLLO-UHFFFAOYSA-N 0 3 264.188 2.555 40 0 CFABHN Cc1nc(CN)cc(Cc2ccc(Br)cc2)n1 ZINC000409438320 348602456 /nfs/dbraw/zinc/60/24/56/348602456.db2.gz LRMBFAAVXNKWAE-UHFFFAOYSA-N 0 3 292.180 2.597 40 0 CFABHN Cc1ccc(CN2C[C@@H]3C(=O)N(c4ccccc4)C[C@@H]3C2)o1 ZINC000107742877 186189561 /nfs/dbraw/zinc/18/95/61/186189561.db2.gz YMRVJIYUICGOAF-YOEHRIQHSA-N 0 3 296.370 2.683 40 0 CFABHN CCC(=O)N1CC[C@]2(c3ccccc3)CCN(CC)[C@H]2C1 ZINC000107805953 186192414 /nfs/dbraw/zinc/19/24/14/186192414.db2.gz RIUVUINPIUCPPW-WMZOPIPTSA-N 0 3 286.419 2.661 40 0 CFABHN Cc1ccc(F)c(CN2CCC[C@@]3(CCNC3=O)CC2)c1 ZINC000108527994 186220955 /nfs/dbraw/zinc/22/09/55/186220955.db2.gz GYDGMPWZLLQZMR-QGZVFWFLSA-N 0 3 290.382 2.626 40 0 CFABHN CCCn1cc(CNCCc2cccc(OC)c2)cn1 ZINC000116913726 186732198 /nfs/dbraw/zinc/73/21/98/186732198.db2.gz VJWAMNDGYHPPQJ-UHFFFAOYSA-N 0 3 273.380 2.634 40 0 CFABHN Cc1cn(C)c([C@@H]2CCN(Cc3ccsc3)C2)n1 ZINC000205706997 539931552 /nfs/dbraw/zinc/93/15/52/539931552.db2.gz ZZGRZONQNWBIQH-CYBMUJFWSA-N 0 3 261.394 2.780 40 0 CFABHN Fc1cccc(CN2C[C@@H]3c4n[nH]cc4CC[C@@H]3C2)c1F ZINC000019292767 283013897 /nfs/dbraw/zinc/01/38/97/283013897.db2.gz HMGMFZMKQWFUJJ-YPMHNXCESA-N 0 3 289.329 2.850 40 0 CFABHN CN1CCC(OC(=O)Nc2cccc(Cl)c2)CC1 ZINC000002166208 371719080 /nfs/dbraw/zinc/71/90/80/371719080.db2.gz GBWFXDHRMNQWTN-UHFFFAOYSA-N 0 3 268.744 2.983 40 0 CFABHN CCN(CC)CCOC(=O)c1cnc2ccccc2c1 ZINC000001628249 371690025 /nfs/dbraw/zinc/69/00/25/371690025.db2.gz UXVAARGSHZXKSW-UHFFFAOYSA-N 0 3 272.348 2.733 40 0 CFABHN Cc1nc(-c2ccccc2)ncc1[C@H](O)CN1CCCCC1 ZINC000001677696 371697440 /nfs/dbraw/zinc/69/74/40/371697440.db2.gz JBZAPFOKZOFHDO-QGZVFWFLSA-N 0 3 297.402 2.971 40 0 CFABHN CC(C)Oc1ccc(C(=O)OCCN2CC[C@@H](C)C2)cc1 ZINC000001706414 371700805 /nfs/dbraw/zinc/70/08/05/371700805.db2.gz HNYHPXPHZLQILY-CQSZACIVSA-N 0 3 291.391 2.972 40 0 CFABHN C[C@@H](Cn1cccn1)NCc1cn(C)c2cc(F)ccc12 ZINC000019457686 372164924 /nfs/dbraw/zinc/16/49/24/372164924.db2.gz LOIJKOCJTAAEHW-LBPRGKRZSA-N 0 3 286.354 2.692 40 0 CFABHN c1coc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842516 372197432 /nfs/dbraw/zinc/19/74/32/372197432.db2.gz MPUJOCXZNNCUCE-PMPSAXMXSA-N 0 3 272.392 2.609 40 0 CFABHN c1coc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000022860603 372246417 /nfs/dbraw/zinc/24/64/17/372246417.db2.gz MPUJOCXZNNCUCE-ARFHVFGLSA-N 0 3 272.392 2.609 40 0 CFABHN Cn1c2ccccc2nc1[C@H]1CCN(Cc2ccccn2)C1 ZINC000049171195 373275690 /nfs/dbraw/zinc/27/56/90/373275690.db2.gz VGFIBDDMMXRRMJ-AWEZNQCLSA-N 0 3 292.386 2.958 40 0 biogenic,in-vitro CFABHN CC(C)N1CCC(O)(c2cc(F)cc(F)c2)CC1 ZINC000055192555 373544675 /nfs/dbraw/zinc/54/46/75/373544675.db2.gz TWBVQDQGHOMZAR-UHFFFAOYSA-N 0 3 255.308 2.657 40 0 CFABHN CC(C)N1CCC(O)(c2ccc(F)c(F)c2)CC1 ZINC000055236817 373546432 /nfs/dbraw/zinc/54/64/32/373546432.db2.gz LFGYEVVURZUOMZ-UHFFFAOYSA-N 0 3 255.308 2.657 40 0 CFABHN Brc1ccc([C@H]2CN(C3CC3)CCN2)cc1 ZINC000056894795 373574990 /nfs/dbraw/zinc/57/49/90/373574990.db2.gz ANPKZVQZVZJDNP-CYBMUJFWSA-N 0 3 281.197 2.558 40 0 CFABHN C[C@](CN)(c1ccccc1Cl)N1CCCCC1 ZINC000070453421 374179875 /nfs/dbraw/zinc/17/98/75/374179875.db2.gz JZMLCYJOSGXWFI-AWEZNQCLSA-N 0 3 252.789 3.000 40 0 CFABHN Cc1ccc(NC(=O)CC2CCN(C)CC2)cc1C ZINC000074920988 374446935 /nfs/dbraw/zinc/44/69/35/374446935.db2.gz SGHXJNNYFUQOPP-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000079439705 374612415 /nfs/dbraw/zinc/61/24/15/374612415.db2.gz SHSRBPGOGUWTTM-QWHCGFSZSA-N 0 3 291.395 2.742 40 0 CFABHN CN1CCC[C@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096215241 375477045 /nfs/dbraw/zinc/47/70/45/375477045.db2.gz IAFKXCQCEDZPEP-INIZCTEOSA-N 0 3 273.380 2.636 40 0 CFABHN Cc1ccc(CN2CCc3ncnc(C4CC4)c3CC2)o1 ZINC000096255074 375481461 /nfs/dbraw/zinc/48/14/61/375481461.db2.gz KDVYPOATCCQWRU-UHFFFAOYSA-N 0 3 283.375 2.856 40 0 CFABHN COc1cccc(CCNCc2ccnn2CC(C)C)c1 ZINC000256051254 190003976 /nfs/dbraw/zinc/00/39/76/190003976.db2.gz IKRLSPQSNLWXAJ-UHFFFAOYSA-N 0 3 287.407 2.880 40 0 CFABHN Cc1nccc([C@@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000257232140 190016931 /nfs/dbraw/zinc/01/69/31/190016931.db2.gz GJOROFOYIPWOBK-CQSZACIVSA-N 0 3 270.380 2.503 40 0 CFABHN COc1ccccc1[C@H]1CNCCN1Cc1ccc(C)nc1 ZINC000257239200 190017629 /nfs/dbraw/zinc/01/76/29/190017629.db2.gz HOIIARYTTHXBIR-QGZVFWFLSA-N 0 3 297.402 2.545 40 0 CFABHN COc1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257240769 190018269 /nfs/dbraw/zinc/01/82/69/190018269.db2.gz HVDFLWQRCSYACW-ZDUSSCGKSA-N 0 3 289.354 2.855 40 0 CFABHN Cc1cnc(C2(C)CCN([C@H]3CCOC3)CC2)s1 ZINC000257251826 190020034 /nfs/dbraw/zinc/02/00/34/190020034.db2.gz JSKHYAQRKPSUOE-LBPRGKRZSA-N 0 3 266.410 2.594 40 0 CFABHN Cc1cc(-c2cnc([C@@H]3CCCN(C(C)C)C3)cn2)n[nH]1 ZINC000257266710 190022874 /nfs/dbraw/zinc/02/28/74/190022874.db2.gz MEDKNPCCUAQHCA-CYBMUJFWSA-N 0 3 285.395 2.763 40 0 CFABHN CC1(c2cc[nH]n2)CCN(Cc2ccc(O)cc2)CC1 ZINC000257269160 190023927 /nfs/dbraw/zinc/02/39/27/190023927.db2.gz MOVCIEOOABHJDK-UHFFFAOYSA-N 0 3 271.364 2.669 40 0 CFABHN Cc1cnc(Nc2cc([C@@H]3CCN(C)C3)nc(C)n2)s1 ZINC000257270300 190023989 /nfs/dbraw/zinc/02/39/89/190023989.db2.gz MTPRTFMZJRGACY-LLVKDONJSA-N 0 3 289.408 2.713 40 0 CFABHN Cc1cncc(C2CCN(Cc3cccn3C)CC2)n1 ZINC000257286866 190027257 /nfs/dbraw/zinc/02/72/57/190027257.db2.gz PNJJZZRMIDJUHO-UHFFFAOYSA-N 0 3 270.380 2.503 40 0 CFABHN CN1CCC[C@@H](c2cccc(N3C(=O)OCC3(C)C)n2)C1 ZINC000257274264 190025028 /nfs/dbraw/zinc/02/50/28/190025028.db2.gz NKGKWYPMGTWBGZ-GFCCVEGCSA-N 0 3 289.379 2.626 40 0 CFABHN Cc1ccc(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)cn1 ZINC000257342869 190037572 /nfs/dbraw/zinc/03/75/72/190037572.db2.gz ZQKZOYSHUDHAKW-HNNXBMFYSA-N 0 3 270.380 2.568 40 0 CFABHN CC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(C)cc1 ZINC000172737224 379637813 /nfs/dbraw/zinc/63/78/13/379637813.db2.gz SPIZMFHKYHHPQA-INIZCTEOSA-N 0 3 274.408 2.904 40 0 CFABHN Clc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1 ZINC000217553808 382787040 /nfs/dbraw/zinc/78/70/40/382787040.db2.gz CRQCPZYAEXYWCN-ZDUSSCGKSA-N 0 3 299.765 2.869 40 0 CFABHN COC(=O)C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000228981035 382849598 /nfs/dbraw/zinc/84/95/98/382849598.db2.gz OQJVKTAEZWJYFR-MQVJKMGUSA-N 0 3 273.376 2.993 40 0 CFABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380244 383453305 /nfs/dbraw/zinc/45/33/05/383453305.db2.gz NEPDTEDKCCEHIC-OLZOCXBDSA-N 0 3 273.298 2.679 40 0 CFABHN C[C@H]1CN(Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380276 383453729 /nfs/dbraw/zinc/45/37/29/383453729.db2.gz YRQQNNUMEBZONG-WCQYABFASA-N 0 3 273.298 2.679 40 0 CFABHN c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CC1)C2 ZINC000253588380 383463954 /nfs/dbraw/zinc/46/39/54/383463954.db2.gz APHGROSVTCZNOU-SFHVURJKSA-N 0 3 297.402 2.694 40 0 CFABHN c1cc2n(c1)C[C@H](OCc1cccnc1)CN(CC1CC1)C2 ZINC000253588457 383463972 /nfs/dbraw/zinc/46/39/72/383463972.db2.gz DJLMEPYIXFDMMW-GOSISDBHSA-N 0 3 297.402 2.694 40 0 CFABHN Cc1cccc(N2CCC[C@H](N(C)Cc3cccnc3)C2)n1 ZINC000257201347 383493708 /nfs/dbraw/zinc/49/37/08/383493708.db2.gz AHHMZDNISJAZDW-KRWDZBQOSA-N 0 3 296.418 2.886 40 0 CFABHN CC(C)n1nccc1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000257330696 383494818 /nfs/dbraw/zinc/49/48/18/383494818.db2.gz XPNORULFGBCFQC-CYBMUJFWSA-N 0 3 285.395 2.730 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCCCN1CC1CCOCC1 ZINC000257296689 383495093 /nfs/dbraw/zinc/49/50/93/383495093.db2.gz RDYNTWPXYQLBSX-AWEZNQCLSA-N 0 3 263.385 2.672 40 0 CFABHN Cc1cc(-c2nccnc2[C@H]2CCCN2C(C)C)n[nH]1 ZINC000257301906 383495410 /nfs/dbraw/zinc/49/54/10/383495410.db2.gz SALXGASWJMVOOB-CYBMUJFWSA-N 0 3 271.368 2.720 40 0 CFABHN O[C@](Cc1ccccc1)(C1CCCCC1)[C@@H]1CNCCO1 ZINC000242687270 256698124 /nfs/dbraw/zinc/69/81/24/256698124.db2.gz UCXZRTLZAKLHBM-ZWKOTPCHSA-N 0 3 289.419 2.529 40 0 CFABHN c1ccc2c(c1)Cc1ccccc1N1CCNC[C@@H]21 ZINC000005162702 285518169 /nfs/dbraw/zinc/51/81/69/285518169.db2.gz ZBILSSSEXRZGKS-KRWDZBQOSA-N 0 3 250.345 2.742 40 0 in-vitro CFABHN CCN(CC)c1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225266 393647803 /nfs/dbraw/zinc/64/78/03/393647803.db2.gz UNOYQJOXIMRGOG-MRXNPFEDSA-N 0 3 255.365 2.976 40 0 CFABHN Cc1ccc(NC(=S)NC23CCN(CC2)CC3)cc1 ZINC000027642728 292160691 /nfs/dbraw/zinc/16/06/91/292160691.db2.gz DMLKEIGMAZNJCE-UHFFFAOYSA-N 0 3 275.421 2.520 40 0 CFABHN COc1ccc(N2N=C(N)C[C@@H]2c2ccccc2)cc1 ZINC000039384974 286325833 /nfs/dbraw/zinc/32/58/33/286325833.db2.gz DZESEKOIZAUVIB-OAHLLOKOSA-N 0 3 267.332 2.919 40 0 CFABHN Cc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1C ZINC000009876169 170388190 /nfs/dbraw/zinc/38/81/90/170388190.db2.gz XSVCIOUIWRIACG-AWEZNQCLSA-N 0 3 291.464 2.932 40 0 CFABHN CC1CCN(Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000020493419 171226826 /nfs/dbraw/zinc/22/68/26/171226826.db2.gz FELGMYJCOJCOKL-UHFFFAOYSA-N 0 3 272.392 2.811 40 0 CFABHN CSc1ccc(NC(=O)NCCN2CCCC2)cc1 ZINC000035311685 172122925 /nfs/dbraw/zinc/12/29/25/172122925.db2.gz NNOVENYWQXZTEI-UHFFFAOYSA-N 0 3 279.409 2.626 40 0 CFABHN c1ccc2[nH]c([C@H]3CCN(Cc4cccnc4)C3)nc2c1 ZINC000035446648 172202618 /nfs/dbraw/zinc/20/26/18/172202618.db2.gz HZMNOIDMRYRMNR-AWEZNQCLSA-N 0 3 278.359 2.947 40 0 biogenic,in-vitro CFABHN Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C)C2)n1 ZINC000072354273 176374919 /nfs/dbraw/zinc/37/49/19/176374919.db2.gz BICBSWDWRZJBIN-ZDUSSCGKSA-N 0 3 283.379 2.733 40 0 CFABHN Cc1cccc(Nc2cnc([C@H]3CCCN(C)C3)cn2)n1 ZINC000072361550 176377548 /nfs/dbraw/zinc/37/75/48/176377548.db2.gz GIYJDXUIDTUTRS-ZDUSSCGKSA-N 0 3 283.379 2.733 40 0 CFABHN Fc1ccc(CN2CCC[C@@H](c3cnccn3)C2)cc1 ZINC000072363725 176378053 /nfs/dbraw/zinc/37/80/53/176378053.db2.gz AHXVBWUIIAMNCK-CQSZACIVSA-N 0 3 271.339 2.995 40 0 CFABHN CNc1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072363782 176378308 /nfs/dbraw/zinc/37/83/08/176378308.db2.gz YEQJEYGTOLJTHC-HNNXBMFYSA-N 0 3 282.391 2.898 40 0 CFABHN Cn1cc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367982 176382314 /nfs/dbraw/zinc/38/23/14/176382314.db2.gz YKGVXZZEXJBHLP-AWEZNQCLSA-N 0 3 295.390 2.676 40 0 CFABHN CC(C)[N@@H+]1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377465 176385947 /nfs/dbraw/zinc/38/59/47/176385947.db2.gz ZHGGZKSUPCWNGV-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377465 176385948 /nfs/dbraw/zinc/38/59/48/176385948.db2.gz ZHGGZKSUPCWNGV-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN c1csc(C[C@@H]2CCN(Cc3ccccn3)C2)n1 ZINC000072381597 176387718 /nfs/dbraw/zinc/38/77/18/176387718.db2.gz NWDUODCQMOEIEX-LBPRGKRZSA-N 0 3 259.378 2.603 40 0 CFABHN CN1CCC[C@H](c2ccc(NCC(F)F)cn2)C1 ZINC000072383421 176388904 /nfs/dbraw/zinc/38/89/04/176388904.db2.gz IAXGPXJCHMJSQL-JTQLQIEISA-N 0 3 255.312 2.568 40 0 CFABHN Cc1c(CN2CCC[C@H](Cc3nccs3)C2)cnn1C ZINC000072385656 176390334 /nfs/dbraw/zinc/39/03/34/176390334.db2.gz ZRICJUYRZZNPEQ-CYBMUJFWSA-N 0 3 290.436 2.640 40 0 CFABHN Cc1cc(C)n(-c2cccc(CN3CCC[C@@H](CO)C3)c2)n1 ZINC000072397853 176395552 /nfs/dbraw/zinc/39/55/52/176395552.db2.gz BYNJAADZIQNUMU-QGZVFWFLSA-N 0 3 299.418 2.693 40 0 CFABHN Cc1cccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)c1 ZINC000095533469 185007159 /nfs/dbraw/zinc/00/71/59/185007159.db2.gz CCJZVQFWSIYRTQ-AWEZNQCLSA-N 0 3 264.332 2.828 40 0 CFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096038968 185069322 /nfs/dbraw/zinc/06/93/22/185069322.db2.gz PBHNFRYUBRNYML-GJZGRUSLSA-N 0 3 281.421 2.766 40 0 CFABHN Cc1ccc(CN2CC3(C2)CCN(Cc2ccncc2)C3)o1 ZINC000096046429 185071608 /nfs/dbraw/zinc/07/16/08/185071608.db2.gz MDKYMWZUWFQUHG-UHFFFAOYSA-N 0 3 297.402 2.691 40 0 CFABHN CC[C@@H]1N(Cc2ccsc2)CCC[C@]12CCC(=O)N2 ZINC000096052393 185074426 /nfs/dbraw/zinc/07/44/26/185074426.db2.gz HJKONKOJSGTKBJ-ZFWWWQNUSA-N 0 3 278.421 2.771 40 0 CFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096056717 185077899 /nfs/dbraw/zinc/07/78/99/185077899.db2.gz SNXMDLDSVAGHFS-IRXDYDNUSA-N 0 3 293.382 2.843 40 0 CFABHN c1ncc(CN2CC[C@@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072142 185088758 /nfs/dbraw/zinc/08/87/58/185088758.db2.gz QPFYVCWUWTUOQR-NVXWUHKLSA-N 0 3 283.375 2.558 40 0 CFABHN CC[C@@H](CO)NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540884 529514885 /nfs/dbraw/zinc/51/48/85/529514885.db2.gz VFCQVIIDFHIXJM-WFASDCNBSA-N 0 3 289.375 2.860 40 0 CFABHN Cc1cccnc1CN1CCNC[C@@H]1c1ccccc1 ZINC000086177839 179246661 /nfs/dbraw/zinc/24/66/61/179246661.db2.gz CXWXSZJRKWQXAG-QGZVFWFLSA-N 0 3 267.376 2.537 40 0 CFABHN CCN(CC)CCOC(=O)c1cccc2[nH]ccc21 ZINC000001669263 371694294 /nfs/dbraw/zinc/69/42/94/371694294.db2.gz XTLVUFDKZXOWTO-UHFFFAOYSA-N 0 3 260.337 2.667 40 0 CFABHN CCCCCOC(=O)c1cccc(NC(=O)CNCC)c1 ZINC000001671450 371695671 /nfs/dbraw/zinc/69/56/71/371695671.db2.gz NDBZYVQZLYOIIF-UHFFFAOYSA-N 0 3 292.379 2.582 40 0 CFABHN N[C@@H](c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004255450 371846090 /nfs/dbraw/zinc/84/60/90/371846090.db2.gz BMIYJYQVIQRUFU-INIZCTEOSA-N 0 3 255.317 2.896 40 0 CFABHN CC(=O)c1ccccc1OC[C@@H](O)CN1CCCC[C@@H]1C ZINC000004320467 371849090 /nfs/dbraw/zinc/84/90/90/371849090.db2.gz SJVQHTYMNXUMKQ-ZFWWWQNUSA-N 0 3 291.391 2.503 40 0 CFABHN Cc1cccc(OC[C@H](O)CN2CCCCC2)c1C ZINC000004304967 371849472 /nfs/dbraw/zinc/84/94/72/371849472.db2.gz YMIPAHJVTDIEJR-OAHLLOKOSA-N 0 3 263.381 2.529 40 0 CFABHN CCc1ccc(CCC(=O)NCCN2CCCCC2)cc1 ZINC000010334326 371906705 /nfs/dbraw/zinc/90/67/05/371906705.db2.gz FFHJPEYZZPPVMO-UHFFFAOYSA-N 0 3 288.435 2.784 40 0 CFABHN Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000016758577 372119583 /nfs/dbraw/zinc/11/95/83/372119583.db2.gz UOIGYKBOEWYLBQ-SFHVURJKSA-N 0 3 297.398 2.793 40 0 CFABHN NC[C@@H](c1ccccc1Br)N1CCCCC1 ZINC000019484838 372168644 /nfs/dbraw/zinc/16/86/44/372168644.db2.gz KKFPURSJCLJUBR-ZDUSSCGKSA-N 0 3 283.213 2.935 40 0 CFABHN O=C(NCCCN1CCc2ccccc2C1)C1CCCC1 ZINC000029838670 372387330 /nfs/dbraw/zinc/38/73/30/372387330.db2.gz IMHRTWADBRIHQA-UHFFFAOYSA-N 0 3 286.419 2.741 40 0 CFABHN CC(C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000052527963 373444372 /nfs/dbraw/zinc/44/43/72/373444372.db2.gz ZIEADTVYWQJXBU-UHFFFAOYSA-N 0 3 274.408 2.945 40 0 CFABHN COc1ccc(C2(O)CCN(C(C)C)CC2)cc1F ZINC000055261630 373546827 /nfs/dbraw/zinc/54/68/27/373546827.db2.gz OFQJOGFHJAEUQI-UHFFFAOYSA-N 0 3 267.344 2.526 40 0 CFABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCCNCC1 ZINC000067796696 374002384 /nfs/dbraw/zinc/00/23/84/374002384.db2.gz DYSUUBQDJKVZRG-UHFFFAOYSA-N 0 3 280.371 2.789 40 0 CFABHN CN1CCC(CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000074920917 374446634 /nfs/dbraw/zinc/44/66/34/374446634.db2.gz CFVPFYASBHEFCD-UHFFFAOYSA-N 0 3 280.799 2.688 40 0 CFABHN CN1CCC(CC(=O)Nc2ccc(F)cc2F)CC1 ZINC000074921060 374446812 /nfs/dbraw/zinc/44/68/12/374446812.db2.gz SJXFFBBNYPKVHP-UHFFFAOYSA-N 0 3 268.307 2.635 40 0 CFABHN CN1CCC(CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074921088 374447392 /nfs/dbraw/zinc/44/73/92/374447392.db2.gz YHAFSSMRDXYKCM-UHFFFAOYSA-N 0 3 268.307 2.635 40 0 CFABHN CC(C)N(C(=O)[C@H](C)N)[C@H](C)c1cccc(Cl)c1 ZINC000079421225 374609193 /nfs/dbraw/zinc/60/91/93/374609193.db2.gz ZPQWAPLYNZJDNE-WDEREUQCSA-N 0 3 268.788 2.985 40 0 CFABHN C[C@H](N)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000079420326 374609920 /nfs/dbraw/zinc/60/99/20/374609920.db2.gz JKMSWRILCUXEOJ-QMMMGPOBSA-N 0 3 287.190 2.832 40 0 CFABHN COC[C@@H]1Cn2nccc2CN(CC2CCCCC2)C1 ZINC000096188916 375475702 /nfs/dbraw/zinc/47/57/02/375475702.db2.gz SXKGFLMBAFVEDV-HNNXBMFYSA-N 0 3 277.412 2.542 40 0 CFABHN CCN(CC)CCNCc1cc(C2CC2)nn1C(C)C ZINC000256054430 190005376 /nfs/dbraw/zinc/00/53/76/190005376.db2.gz WFLIRFWLITXJBK-UHFFFAOYSA-N 0 3 278.444 2.773 40 0 CFABHN CC(C)Cn1nccc1CNCCc1ccccc1 ZINC000256052739 190004085 /nfs/dbraw/zinc/00/40/85/190004085.db2.gz OLSPYAHQGXNKQG-UHFFFAOYSA-N 0 3 257.381 2.871 40 0 CFABHN CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@@H](C)N(C)C[C@@H]2C ZINC000101236055 375633967 /nfs/dbraw/zinc/63/39/67/375633967.db2.gz URLGZASRDBGECB-CIGZNWKYSA-N 0 3 289.379 2.515 40 0 CFABHN CC(C)OCCCNCc1cnn(C2CCCC2)c1 ZINC000256055258 190005565 /nfs/dbraw/zinc/00/55/65/190005565.db2.gz ZXZPOSXTJZXSHV-UHFFFAOYSA-N 0 3 265.401 2.903 40 0 CFABHN Cn1cc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)cn1 ZINC000257222180 190014702 /nfs/dbraw/zinc/01/47/02/190014702.db2.gz DSGZBPIZJFUBEQ-VQFNDLOPSA-N 0 3 297.402 2.710 40 0 CFABHN Cc1ccc(C[C@@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000257222490 190014796 /nfs/dbraw/zinc/01/47/96/190014796.db2.gz DTLWHFDTIZYWQQ-INIZCTEOSA-N 0 3 267.376 2.850 40 0 CFABHN CC(C)[NH+]1CCC(c2ccnc([N-]c3cnccn3)n2)CC1 ZINC000257221931 190015072 /nfs/dbraw/zinc/01/50/72/190015072.db2.gz DREQRWMGPJJQAL-UHFFFAOYSA-N 0 3 298.394 2.598 40 0 CFABHN COc1cccc(Cc2cnc([C@H]3CCCN3)o2)c1 ZINC000257246545 190019190 /nfs/dbraw/zinc/01/91/90/190019190.db2.gz IUQDLACROLWIQV-CQSZACIVSA-N 0 3 258.321 2.699 40 0 CFABHN Fc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000257261350 190022023 /nfs/dbraw/zinc/02/20/23/190022023.db2.gz LGYTULICYDHXKM-AWEZNQCLSA-N 0 3 271.339 2.995 40 0 CFABHN CO[C@H]1CN(Cc2ccc3cc[nH]c3c2)C[C@@]12CCCO2 ZINC000257260243 190022287 /nfs/dbraw/zinc/02/22/87/190022287.db2.gz LBYJTLCXPLCRGW-IRXDYDNUSA-N 0 3 286.375 2.548 40 0 CFABHN Cc1c(CN2CCC[C@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291788 190027500 /nfs/dbraw/zinc/02/75/00/190027500.db2.gz QIPRWENYUQMMJM-MRXNPFEDSA-N 0 3 298.434 2.887 40 0 CFABHN Cc1cnccc1CN1CCC[C@H](c2ccnc(C)n2)C1 ZINC000257273946 190024393 /nfs/dbraw/zinc/02/43/93/190024393.db2.gz NIXFBXGDHQRELT-INIZCTEOSA-N 0 3 282.391 2.868 40 0 CFABHN Cc1c(-c2cccc(C(F)(F)F)c2)nc(N)n1C ZINC000199560522 382771915 /nfs/dbraw/zinc/77/19/15/382771915.db2.gz ORBLUFHOGHFBNT-UHFFFAOYSA-N 0 3 255.243 2.997 40 0 CFABHN Cc1c(-c2ccccc2C(F)(F)F)nc(N)n1C ZINC000199560104 382772077 /nfs/dbraw/zinc/77/20/77/382772077.db2.gz QAKFOELPWFBFOY-UHFFFAOYSA-N 0 3 255.243 2.997 40 0 CFABHN COCCNCc1cc(C)n(Cc2ccccc2)c1C ZINC000223661723 382806174 /nfs/dbraw/zinc/80/61/74/382806174.db2.gz IROVIUYEMPKZFS-UHFFFAOYSA-N 0 3 272.392 2.889 40 0 CFABHN CN(Cc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257200583 383492910 /nfs/dbraw/zinc/49/29/10/383492910.db2.gz ADXNZWQAFNHYNW-INIZCTEOSA-N 0 3 282.391 2.577 40 0 CFABHN Cc1ccc(CN2CC[C@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000096244804 256830873 /nfs/dbraw/zinc/83/08/73/256830873.db2.gz PRIJEEJFLAIHRS-SFHVURJKSA-N 0 3 296.370 2.708 40 0 CFABHN O[C@@H](COc1ccccc1Cl)CN1CCCCC1 ZINC000006495751 393464073 /nfs/dbraw/zinc/46/40/73/393464073.db2.gz GCSJPQCYLOSWBR-GFCCVEGCSA-N 0 3 269.772 2.566 40 0 CFABHN CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@@H](C)N(C)C[C@@H]2C ZINC000101236063 393847854 /nfs/dbraw/zinc/84/78/54/393847854.db2.gz URLGZASRDBGECB-KYXHQGGESA-N 0 3 289.379 2.515 40 0 CFABHN C[C@H](O)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777570 170015636 /nfs/dbraw/zinc/01/56/36/170015636.db2.gz YEUANSOODKQTER-JCGIZDLHSA-N 0 3 285.387 2.822 40 0 CFABHN COc1cccc(-c2cnc([C@H]3CCCN(C)C3)cn2)c1 ZINC000072360686 176376831 /nfs/dbraw/zinc/37/68/31/176376831.db2.gz VTXOTHKUBAMTHS-AWEZNQCLSA-N 0 3 283.375 2.961 40 0 CFABHN CCc1nccn1-c1cccc([C@H]2CCCN2C)n1 ZINC000072379096 176386149 /nfs/dbraw/zinc/38/61/49/176386149.db2.gz JEPHHNIZGYLMIY-CYBMUJFWSA-N 0 3 256.353 2.596 40 0 CFABHN Cc1cn[nH]c1[C@@H]1CCCN1Cc1cccc(C)n1 ZINC000072385800 176390502 /nfs/dbraw/zinc/39/05/02/176390502.db2.gz LTQJMZFEEYNFNT-AWEZNQCLSA-N 0 3 256.353 2.759 40 0 CFABHN CN1CCC(c2cccc(NCC(F)F)n2)CC1 ZINC000072386921 176392865 /nfs/dbraw/zinc/39/28/65/176392865.db2.gz DHVLGMYEBQOVQU-UHFFFAOYSA-N 0 3 255.312 2.568 40 0 CFABHN C[C@@H]1CCCN([C@@H](CN)c2cc(F)ccc2F)C1 ZINC000037233464 287359470 /nfs/dbraw/zinc/35/94/70/287359470.db2.gz IVLWCLGNKWTENP-YGRLFVJLSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1cc(OC[C@@H](O)CN2CCCC2)ccc1C(C)C ZINC000005023374 280640550 /nfs/dbraw/zinc/64/05/50/280640550.db2.gz LSNORDNYLOEQHB-HNNXBMFYSA-N 0 3 277.408 2.954 40 0 CFABHN NC[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000038809004 303418155 /nfs/dbraw/zinc/41/81/55/303418155.db2.gz FOXHYRKAFYMFEP-GFCCVEGCSA-N 0 3 256.752 2.965 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@@H](c2nccs2)C1 ZINC000157024711 534818203 /nfs/dbraw/zinc/81/82/03/534818203.db2.gz HMVNNHOSNVXVEI-CYBMUJFWSA-N 0 3 290.436 2.873 40 0 CFABHN COc1cccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000095533600 185005907 /nfs/dbraw/zinc/00/59/07/185005907.db2.gz JJCRHNJTMWCRJG-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN COc1ccc([C@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1 ZINC000095533745 185007509 /nfs/dbraw/zinc/00/75/09/185007509.db2.gz KKCVWAOMNFGHJB-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccoc1)CC2 ZINC000096047490 185073443 /nfs/dbraw/zinc/07/34/43/185073443.db2.gz NLDOHLTXXWQTLG-MRXNPFEDSA-N 0 3 276.380 2.647 40 0 CFABHN Cc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053729 185073944 /nfs/dbraw/zinc/07/39/44/185073944.db2.gz ZIDDQGPVLYOTBE-CALCHBBNSA-N 0 3 297.402 2.547 40 0 CFABHN C(O[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)C1CCCC1 ZINC000096057915 185078709 /nfs/dbraw/zinc/07/87/09/185078709.db2.gz JAPAXFCUHCSWMC-GVDBMIGSSA-N 0 3 279.424 2.835 40 0 CFABHN COc1ccccc1CN1CC[C@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096070669 185086867 /nfs/dbraw/zinc/08/68/67/185086867.db2.gz DAYCWKGJHMMZIE-DVOMOZLQSA-N 0 3 261.365 2.695 40 0 CFABHN CC[C@H]1N(Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096070421 185085808 /nfs/dbraw/zinc/08/58/08/185085808.db2.gz RLYZBHIIMHWLCC-ZBFHGGJFSA-N 0 3 276.380 2.645 40 0 CFABHN COC[C@@]12CCC[C@@H]1CN(Cc1cccc(C)n1)C2 ZINC000096111025 185101139 /nfs/dbraw/zinc/10/11/39/185101139.db2.gz LANDLZBAMODAAO-ZBFHGGJFSA-N 0 3 260.381 2.639 40 0 CFABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2N=CC[C@H]2c2ccccc2)C1 ZINC000008559891 346224862 /nfs/dbraw/zinc/22/48/62/346224862.db2.gz ZUUATDISHOXEKE-UXLLHSPISA-N 0 3 299.418 2.924 40 0 CFABHN CCOC(=O)[C@H]1CCN[C@@H]1c1ccccc1Cl ZINC000257197755 348306129 /nfs/dbraw/zinc/30/61/29/348306129.db2.gz INRVMGBUEDMVTR-CMPLNLGQSA-N 0 3 253.729 2.554 40 0 CFABHN Cc1cccc(CO[C@@H]2CSC3(CN(C(C)C)C3)C2)n1 ZINC000585103848 348734673 /nfs/dbraw/zinc/73/46/73/348734673.db2.gz DJNHXSWLMKFGMY-HNNXBMFYSA-N 0 3 292.448 2.875 40 0 CFABHN CC(C)(C)OC(=O)N1CC(CNCc2ccccc2F)C1 ZINC000090635723 180016634 /nfs/dbraw/zinc/01/66/34/180016634.db2.gz ANIFKLNDXOBPBC-UHFFFAOYSA-N 0 3 294.370 2.782 40 0 CFABHN FC(F)(F)CCN1CCNC[C@H]1c1ccccc1 ZINC000085451786 303113318 /nfs/dbraw/zinc/11/33/18/303113318.db2.gz MMFHKYUPSHAQIQ-LBPRGKRZSA-N 0 3 258.287 2.585 40 0 CFABHN CCN(CC)CCN(C(=O)C(C)(C)C)c1ccccc1N ZINC000001636915 371690568 /nfs/dbraw/zinc/69/05/68/371690568.db2.gz XVUYYYAZLXXVKG-UHFFFAOYSA-N 0 3 291.439 2.990 40 0 CFABHN COc1ccc(CN(C)C)c([C@H](O)c2ccccc2)c1 ZINC000001662368 371691665 /nfs/dbraw/zinc/69/16/65/371691665.db2.gz SGQKKIQRNPIHQV-QGZVFWFLSA-N 0 3 271.360 2.839 40 0 CFABHN CCN(CC)CCC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001670999 371695170 /nfs/dbraw/zinc/69/51/70/371695170.db2.gz XPMDFLDZGCUNIJ-UHFFFAOYSA-N 0 3 295.379 2.627 40 0 CFABHN O[C@@H](CNCc1ccccc1)Cn1ccc2ccccc21 ZINC000002707601 371746814 /nfs/dbraw/zinc/74/68/14/371746814.db2.gz YYCMZNYZCVUWDS-KRWDZBQOSA-N 0 3 280.371 2.792 40 0 CFABHN COC(=O)[C@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000004423541 371855143 /nfs/dbraw/zinc/85/51/43/371855143.db2.gz GDFVYUDIAQQDTA-OLZOCXBDSA-N 0 3 267.756 2.548 40 0 CFABHN Cc1cc(CN2CCC[C@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568251 372033525 /nfs/dbraw/zinc/03/35/25/372033525.db2.gz KYZYJUOMRVDTEY-INIZCTEOSA-N 0 3 288.391 2.703 40 0 CFABHN CN1CCC(NC(=S)Nc2ccccc2Cl)CC1 ZINC000013775537 372049478 /nfs/dbraw/zinc/04/94/78/372049478.db2.gz JZTHPNXFQOYFBT-UHFFFAOYSA-N 0 3 283.828 2.721 40 0 CFABHN Cc1ccc(-n2cc(CN(C)CC3(C)COC3)cn2)cc1 ZINC000019656156 372177679 /nfs/dbraw/zinc/17/76/79/372177679.db2.gz ODZHQFCEJRAQOI-UHFFFAOYSA-N 0 3 285.391 2.649 40 0 CFABHN CCN(CC)CCNCc1cc(Cl)cc2c1OCOC2 ZINC000022860929 372246759 /nfs/dbraw/zinc/24/67/59/372246759.db2.gz LJSIAAAKUWQIAC-UHFFFAOYSA-N 0 3 298.814 2.638 40 0 CFABHN c1ccc(COC[C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000026898246 372331551 /nfs/dbraw/zinc/33/15/51/372331551.db2.gz RDGPQHCJHZWORQ-IBGZPJMESA-N 0 3 296.414 2.677 40 0 CFABHN c1coc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)c1 ZINC000049169513 373272950 /nfs/dbraw/zinc/27/29/50/373272950.db2.gz CAQNGJGLWPSVRF-LBPRGKRZSA-N 0 3 296.330 2.714 40 0 biogenic,in-vitro CFABHN O=C(Cc1ccccc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049573699 373313488 /nfs/dbraw/zinc/31/34/88/373313488.db2.gz DQNAQBKFOYXNKF-KSZLIROESA-N 0 3 298.430 2.562 40 0 CFABHN Cc1cc(C2(O)CCN(C(C)C)CC2)ccc1F ZINC000055192568 373544480 /nfs/dbraw/zinc/54/44/80/373544480.db2.gz YEJJYDSDUMTTGM-UHFFFAOYSA-N 0 3 251.345 2.826 40 0 CFABHN c1csc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894914 373573420 /nfs/dbraw/zinc/57/34/20/373573420.db2.gz BBZZPAYGUJCNOB-CQSZACIVSA-N 0 3 258.390 2.895 40 0 CFABHN c1c(CC2(NCC3CC3)COC2)noc1-c1ccccc1 ZINC000067898034 374012731 /nfs/dbraw/zinc/01/27/31/374012731.db2.gz GQNNDZBIDOPSFF-UHFFFAOYSA-N 0 3 284.359 2.653 40 0 biogenic,in-vitro CFABHN CN1CCC(C(=O)NCCCc2ccccc2Cl)CC1 ZINC000073471495 374343973 /nfs/dbraw/zinc/34/39/73/374343973.db2.gz FHLZDSFMCIDMIT-UHFFFAOYSA-N 0 3 294.826 2.731 40 0 CFABHN Cc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)cc1 ZINC000079420414 374609422 /nfs/dbraw/zinc/60/94/22/374609422.db2.gz FNZYBFUFGYORBJ-HNNXBMFYSA-N 0 3 262.397 2.715 40 0 CFABHN CC(C)[C@H](N)C(=O)N([C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000079418800 374610287 /nfs/dbraw/zinc/61/02/87/374610287.db2.gz BHRGMOAHEGGWFH-NHYWBVRUSA-N 0 3 278.371 2.861 40 0 CFABHN C[C@H](N)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 ZINC000079420964 374610411 /nfs/dbraw/zinc/61/04/11/374610411.db2.gz OMYVEXNZVNNDKK-QMMMGPOBSA-N 0 3 287.190 2.832 40 0 CFABHN CN1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325076 374735294 /nfs/dbraw/zinc/73/52/94/374735294.db2.gz GNZZSTFNVYIZFT-VIFPVBQESA-N 0 3 270.735 2.759 40 0 CFABHN CC[C@H]1N(Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096100125 375469118 /nfs/dbraw/zinc/46/91/18/375469118.db2.gz XQVWPCRXPTWVKJ-WBVHZDCISA-N 0 3 290.407 2.920 40 0 CFABHN c1cc(CN2CCC3(CN(Cc4cccnc4)C3)C2)cs1 ZINC000096202752 375477634 /nfs/dbraw/zinc/47/76/34/375477634.db2.gz OWHUGOYYNALGAC-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN CN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1ccccc1 ZINC000096200800 375478098 /nfs/dbraw/zinc/47/80/98/375478098.db2.gz ACUGEMIULHTQQF-CVEARBPZSA-N 0 3 298.386 2.667 40 0 CFABHN CCc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3C(C)C)cc1 ZINC000096248689 375482272 /nfs/dbraw/zinc/48/22/72/375482272.db2.gz ZTBZVFGMLWTZDN-MSOLQXFVSA-N 0 3 288.435 2.542 40 0 CFABHN Cc1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 ZINC000096254953 375482473 /nfs/dbraw/zinc/48/24/73/375482473.db2.gz QPTRDOXGTITNAD-UHFFFAOYSA-N 0 3 271.339 2.525 40 0 CFABHN CNC(=O)c1cccc([C@H]2CCCN2C2CCCC2)n1 ZINC000257212392 190012742 /nfs/dbraw/zinc/01/27/42/190012742.db2.gz CDFVFNLVRKRRDT-OAHLLOKOSA-N 0 3 273.380 2.521 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@H](Cc2ccccn2)C1 ZINC000257214969 190013497 /nfs/dbraw/zinc/01/34/97/190013497.db2.gz CODABFCXFYWNDM-MRXNPFEDSA-N 0 3 298.434 2.887 40 0 CFABHN c1ncc(CN2CCC[C@H](c3ccc4c[nH]nc4n3)C2)s1 ZINC000257225988 190015699 /nfs/dbraw/zinc/01/56/99/190015699.db2.gz FIRPCAKKYLDENM-LBPRGKRZSA-N 0 3 299.403 2.794 40 0 CFABHN Cn1cccc1CN1CCC(Cc2ccncc2)CC1 ZINC000257221391 190014430 /nfs/dbraw/zinc/01/44/30/190014430.db2.gz DOWIYAHCRYKWBG-UHFFFAOYSA-N 0 3 269.392 2.875 40 0 CFABHN CC(C)n1nccc1CN1CCNC[C@H]1c1ccccc1 ZINC000257237366 190017498 /nfs/dbraw/zinc/01/74/98/190017498.db2.gz HGCXXQGOYKARBT-KRWDZBQOSA-N 0 3 284.407 2.611 40 0 CFABHN CC(C)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257302201 190030494 /nfs/dbraw/zinc/03/04/94/190030494.db2.gz SBXMNEMPMNYHFA-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN c1cc(CN2CCC[C@@H](c3ccncn3)C2)cs1 ZINC000257322040 190033390 /nfs/dbraw/zinc/03/33/90/190033390.db2.gz WEIVEACUPAFQOX-CYBMUJFWSA-N 0 3 259.378 2.918 40 0 CFABHN Cn1cccc1CN1CCC[C@@H](Cc2cccnc2)C1 ZINC000257320702 190033613 /nfs/dbraw/zinc/03/36/13/190033613.db2.gz VYDOTLWVUBHNSW-INIZCTEOSA-N 0 3 269.392 2.875 40 0 CFABHN Nc1cc(CC[C@H]2CN(C3CCCCC3)CCO2)ccn1 ZINC000257329840 190034742 /nfs/dbraw/zinc/03/47/42/190034742.db2.gz XLTHCFFBDKKGCX-INIZCTEOSA-N 0 3 289.423 2.630 40 0 CFABHN Cc1cn[nH]c1[C@@H]1COCCN1CCCc1ccccc1 ZINC000257327080 190035234 /nfs/dbraw/zinc/03/52/34/190035234.db2.gz WZWDXGIHMOHHHJ-INIZCTEOSA-N 0 3 285.391 2.724 40 0 CFABHN Cc1c(-c2ccc(C(F)(F)F)cc2)nc(N)n1C ZINC000199560802 382771872 /nfs/dbraw/zinc/77/18/72/382771872.db2.gz MRCAYCYIBWWEKM-UHFFFAOYSA-N 0 3 255.243 2.997 40 0 CFABHN CCn1c(CNC[C@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021581 382824491 /nfs/dbraw/zinc/82/44/91/382824491.db2.gz KTRRBIADYUIGRO-QGZVFWFLSA-N 0 3 288.391 2.960 40 0 CFABHN Cc1ccc(CN2CCC[C@@H](CO)C2)c(Cl)c1 ZINC000235876091 382889349 /nfs/dbraw/zinc/88/93/49/382889349.db2.gz AQMSKZWZMXBKNM-GFCCVEGCSA-N 0 3 253.773 2.853 40 0 CFABHN c1cc2n(c1)C[C@@H](Oc1cccnc1)CN(C1CCC1)C2 ZINC000253588411 383464272 /nfs/dbraw/zinc/46/42/72/383464272.db2.gz BPDKPEIESABJMJ-QGZVFWFLSA-N 0 3 283.375 2.699 40 0 CFABHN c1cc2n(c1)C[C@H](Oc1cccnc1)CN(C1CCC1)C2 ZINC000253588410 383464303 /nfs/dbraw/zinc/46/43/03/383464303.db2.gz BPDKPEIESABJMJ-KRWDZBQOSA-N 0 3 283.375 2.699 40 0 CFABHN c1ccc(C[C@@H]2CCCN(c3ccncc3)C2)nc1 ZINC000257243609 383493760 /nfs/dbraw/zinc/49/37/60/383493760.db2.gz IHUFVAVUTPTHSN-AWEZNQCLSA-N 0 3 253.349 2.936 40 0 CFABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000095534176 393812776 /nfs/dbraw/zinc/81/27/76/393812776.db2.gz SNLJETCRJJYOJL-AWEZNQCLSA-N 0 3 264.332 2.828 40 0 CFABHN CN(C)CCn1cc(-c2cccc(Br)c2)cn1 ZINC000072209973 397590624 /nfs/dbraw/zinc/59/06/24/397590624.db2.gz FAGGKBQQZYBVSH-UHFFFAOYSA-N 0 3 294.196 2.874 40 0 CFABHN COc1ccc([C@H]2CC(N)=NN2c2ccccc2)cc1 ZINC000222547396 286377267 /nfs/dbraw/zinc/37/72/67/286377267.db2.gz XCOYDYDKPIBMIT-OAHLLOKOSA-N 0 3 267.332 2.919 40 0 CFABHN C[C@@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636337 170294566 /nfs/dbraw/zinc/29/45/66/170294566.db2.gz SDDLOZBXFNVCLQ-TZMCWYRMSA-N 0 3 251.370 2.513 40 0 CFABHN COc1cc(C=O)ccc1OCCN1C[C@H](C)C[C@@H](C)C1 ZINC000009261311 170369394 /nfs/dbraw/zinc/36/93/94/170369394.db2.gz UHWHRUXWSVWVIU-ZIAGYGMSSA-N 0 3 291.391 2.864 40 0 CFABHN Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1 ZINC000009876119 170388564 /nfs/dbraw/zinc/38/85/64/170388564.db2.gz BZJXWFILOYBWAF-ZDUSSCGKSA-N 0 3 277.437 2.623 40 0 CFABHN CNc1ccc(-c2noc([C@@H]3CCCN3CC3CC3)n2)cn1 ZINC000035426205 172193774 /nfs/dbraw/zinc/19/37/74/172193774.db2.gz MDYALPIYDKRKBY-ZDUSSCGKSA-N 0 3 299.378 2.720 40 0 biogenic,in-vitro CFABHN O[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539853 174145542 /nfs/dbraw/zinc/14/55/42/174145542.db2.gz DMSNRIJBUKGIEE-LBPRGKRZSA-N 0 3 259.271 2.662 40 0 CFABHN CC1(C)NCCO[C@H]1c1cccc(Br)c1 ZINC000071601289 176228414 /nfs/dbraw/zinc/22/84/14/176228414.db2.gz IRXZBENCDALEJM-NSHDSACASA-N 0 3 270.170 2.889 40 0 CFABHN CC(C)c1nccn1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000072350498 176373519 /nfs/dbraw/zinc/37/35/19/176373519.db2.gz UYSBSZOTKPWHKY-ZDUSSCGKSA-N 0 3 285.395 2.595 40 0 CFABHN Cc1cc(N(C)C)cc([C@@H]2CCCN2c2ncccn2)n1 ZINC000072356651 176375643 /nfs/dbraw/zinc/37/56/43/176375643.db2.gz NDMKOFGPTQTQSP-HNNXBMFYSA-N 0 3 283.379 2.588 40 0 CFABHN CCN1CCC[C@@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363445 176378302 /nfs/dbraw/zinc/37/83/02/176378302.db2.gz GSTXBHWKDDDLLY-CYBMUJFWSA-N 0 3 298.394 2.518 40 0 CFABHN Cc1cc(C)n(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072367925 176382308 /nfs/dbraw/zinc/38/23/08/176382308.db2.gz QMYQFCYUBODQQY-UHFFFAOYSA-N 0 3 270.380 2.732 40 0 CFABHN CN1CCCC[C@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372054 176383931 /nfs/dbraw/zinc/38/39/31/176383931.db2.gz JDDGSYJRHQQLGU-ZDUSSCGKSA-N 0 3 269.352 2.772 40 0 CFABHN Cc1cccc(CN2CC[C@@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369722 176384128 /nfs/dbraw/zinc/38/41/28/176384128.db2.gz QQROMQMKZRNMCF-OAHLLOKOSA-N 0 3 282.391 2.786 40 0 CFABHN Cc1c(CN2CCC[C@@H](Cc3nccs3)C2)cnn1C ZINC000072385657 176390531 /nfs/dbraw/zinc/39/05/31/176390531.db2.gz ZRICJUYRZZNPEQ-ZDUSSCGKSA-N 0 3 290.436 2.640 40 0 CFABHN CNc1ncccc1CN1CCC[C@@H](Cc2cccnc2)C1 ZINC000072386203 176391695 /nfs/dbraw/zinc/39/16/95/176391695.db2.gz LDCSDOJTKMMBQR-INIZCTEOSA-N 0 3 296.418 2.973 40 0 CFABHN CC(C)c1ccccc1OC[C@H](O)CN1CCCC1 ZINC000001475849 273567495 /nfs/dbraw/zinc/56/74/95/273567495.db2.gz RVDKJWPICJKRAQ-CQSZACIVSA-N 0 3 263.381 2.646 40 0 CFABHN C[C@H]1CCCN([C@@H](CN)c2cc(F)ccc2F)C1 ZINC000037233466 290453222 /nfs/dbraw/zinc/45/32/22/290453222.db2.gz IVLWCLGNKWTENP-HZMBPMFUSA-N 0 3 254.324 2.697 40 0 CFABHN NC[C@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000038860360 295264630 /nfs/dbraw/zinc/26/46/30/295264630.db2.gz NSRCIPSOSWUQSE-CYBMUJFWSA-N 0 3 283.213 2.935 40 0 CFABHN N[C@H](CNC(=O)OCc1ccccc1)c1ccccc1 ZINC000032914889 527387253 /nfs/dbraw/zinc/38/72/53/527387253.db2.gz PRGWXRXVMOOPKN-OAHLLOKOSA-N 0 3 270.332 2.613 40 0 CFABHN FC(F)Oc1cccc(CNC[C@H]2CCCO2)c1 ZINC000062700663 527696531 /nfs/dbraw/zinc/69/65/31/527696531.db2.gz INFXRBDIFSMFHE-GFCCVEGCSA-N 0 3 257.280 2.557 40 0 CFABHN CCN1CCC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096046734 185071451 /nfs/dbraw/zinc/07/14/51/185071451.db2.gz OXQGXWWOSKQTED-UHFFFAOYSA-N 0 3 278.421 2.583 40 0 CFABHN CO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)s1)C2 ZINC000096107416 185099813 /nfs/dbraw/zinc/09/98/13/185099813.db2.gz MFASKFUXRSOFJH-ZFWWWQNUSA-N 0 3 281.421 2.826 40 0 CFABHN CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096107445 185100028 /nfs/dbraw/zinc/10/00/28/185100028.db2.gz YVNVCESMJMWLDZ-HOTGVXAUSA-N 0 3 279.380 2.748 40 0 CFABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)N1CC1CC1 ZINC000096110743 185100883 /nfs/dbraw/zinc/10/08/83/185100883.db2.gz JNEBEKXGHGFKSK-HUUCEWRRSA-N 0 3 290.432 2.723 40 0 CFABHN CN1CCC(C(=O)NC2CCCCCCC2)CC1 ZINC000096624948 185108077 /nfs/dbraw/zinc/10/80/77/185108077.db2.gz GSJMGZBEMSFYDG-UHFFFAOYSA-N 0 3 252.402 2.557 40 0 CFABHN Cc1ccc(CCC(=O)NCCN2CCCCCC2)cc1 ZINC000010329260 346226750 /nfs/dbraw/zinc/22/67/50/346226750.db2.gz RRVCXNKRMWEJRY-UHFFFAOYSA-N 0 3 288.435 2.920 40 0 CFABHN CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000107204807 186162548 /nfs/dbraw/zinc/16/25/48/186162548.db2.gz QTZCVHWBZNTRQW-KKUMJFAQSA-N 0 3 281.421 2.907 40 0 CFABHN O=C1CCC2(CCN(Cc3cccc(Cl)c3)CC2)CN1 ZINC000108533801 186222215 /nfs/dbraw/zinc/22/22/15/186222215.db2.gz XYAIWOIPYOJQFD-UHFFFAOYSA-N 0 3 292.810 2.832 40 0 CFABHN COc1cc2c(cc1O)[C@@H](Cc1ccccc1)NCC2 ZINC000003847352 371820131 /nfs/dbraw/zinc/82/01/31/371820131.db2.gz DEXYHUSGCBRSQF-OAHLLOKOSA-N 0 3 269.344 2.830 40 0 CFABHN NC[C@H](c1ccccc1Br)N1CCCCC1 ZINC000019484836 372168537 /nfs/dbraw/zinc/16/85/37/372168537.db2.gz KKFPURSJCLJUBR-CYBMUJFWSA-N 0 3 283.213 2.935 40 0 CFABHN C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccccn1 ZINC000019747532 372184405 /nfs/dbraw/zinc/18/44/05/372184405.db2.gz XXPTXWRZQCCNLN-ZDUSSCGKSA-N 0 3 287.407 2.523 40 0 CFABHN CCCCOc1ccccc1CNCCCOC ZINC000032107265 372426277 /nfs/dbraw/zinc/42/62/77/372426277.db2.gz VSRUPLJIXKWLPQ-UHFFFAOYSA-N 0 3 251.370 2.992 40 0 CFABHN CC(C)N(CCO)Cc1cccc(Br)c1 ZINC000049826232 373319262 /nfs/dbraw/zinc/31/92/62/373319262.db2.gz WAKGOMKCEXFIKK-UHFFFAOYSA-N 0 3 272.186 2.652 40 0 CFABHN NCc1cn(-c2ccc(Oc3ccccc3)cc2)nn1 ZINC000062245542 373757304 /nfs/dbraw/zinc/75/73/04/373757304.db2.gz JHRFLLZXZGURLQ-UHFFFAOYSA-N 0 3 266.304 2.518 40 0 CFABHN CN1CCC[C@]2(CCN(C(=O)c3ccc(Cl)cc3)C2)C1 ZINC000063527644 373809663 /nfs/dbraw/zinc/80/96/63/373809663.db2.gz VDURFZAZBKTOKF-INIZCTEOSA-N 0 3 292.810 2.898 40 0 CFABHN CC(C)(C)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800922 374004207 /nfs/dbraw/zinc/00/42/07/374004207.db2.gz ZUNQDTVACYAOIU-NSHDSACASA-N 0 3 256.390 2.632 40 0 CFABHN CN1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000072977667 374310315 /nfs/dbraw/zinc/31/03/15/374310315.db2.gz XDLWJOPZAWZPTR-UHFFFAOYSA-N 0 3 270.735 2.759 40 0 CFABHN Cc1ccc(C2(O)CCN(C(C)C)CC2)cc1F ZINC000079030432 374583936 /nfs/dbraw/zinc/58/39/36/374583936.db2.gz OMPWQCKDUBZWBQ-UHFFFAOYSA-N 0 3 251.345 2.826 40 0 CFABHN CC(C)N1CCC(O)(c2cc(F)c(F)c(F)c2)CC1 ZINC000079030467 374584528 /nfs/dbraw/zinc/58/45/28/374584528.db2.gz VHDRQNHOJZNLBO-UHFFFAOYSA-N 0 3 273.298 2.796 40 0 CFABHN CC(C)N(C(=O)CN)[C@H](C)c1cccc(Cl)c1 ZINC000079421126 374610302 /nfs/dbraw/zinc/61/03/02/374610302.db2.gz STQZXHUKEHJJNW-SNVBAGLBSA-N 0 3 254.761 2.597 40 0 CFABHN CN1C(=O)CCC[C@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096049964 375467971 /nfs/dbraw/zinc/46/79/71/375467971.db2.gz XKAMIBCKRNUJLU-QGZVFWFLSA-N 0 3 290.382 2.803 40 0 CFABHN COC[C@H]1CCC[C@]12CN(CCc1ccccc1)CCO2 ZINC000096159872 375471925 /nfs/dbraw/zinc/47/19/25/375471925.db2.gz QDYNNSUTVVGPIX-MSOLQXFVSA-N 0 3 289.419 2.747 40 0 CFABHN COCc1cncc2c1CCN(CC1CCCC1)C2 ZINC000096189298 375474545 /nfs/dbraw/zinc/47/45/45/375474545.db2.gz ZRCUVXRLRUMVIF-UHFFFAOYSA-N 0 3 260.381 2.776 40 0 CFABHN CCc1ncnc2c1CCN(Cc1ccc(C)o1)CC2 ZINC000096255015 375482342 /nfs/dbraw/zinc/48/23/42/375482342.db2.gz IXFSJNOQQGXWAG-UHFFFAOYSA-N 0 3 271.364 2.541 40 0 CFABHN OC[C@H]1CCC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000097233893 375543599 /nfs/dbraw/zinc/54/35/99/375543599.db2.gz BNFVVQYIFPBQFA-NUJGCVRESA-N 0 3 282.387 2.922 40 0 CFABHN CCn1cc(CN2CCC[C@@H]2CCc2ccncc2)cn1 ZINC000257215285 190013566 /nfs/dbraw/zinc/01/35/66/190013566.db2.gz CPLXMUGVENFQJD-QGZVFWFLSA-N 0 3 284.407 2.895 40 0 CFABHN Cc1cc(CC[C@H]2CCCN2Cc2cnn(C)c2)ccn1 ZINC000257231015 190016513 /nfs/dbraw/zinc/01/65/13/190016513.db2.gz GEVARSUDPCKPCU-QGZVFWFLSA-N 0 3 284.407 2.721 40 0 CFABHN COc1cc(CN2CC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000257234060 190016751 /nfs/dbraw/zinc/01/67/51/190016751.db2.gz GRXHPBIRCZFQJB-LBPRGKRZSA-N 0 3 275.327 2.547 40 0 CFABHN CCc1nccn1-c1cncc([C@H]2CCCN2C(C)C)n1 ZINC000257232796 190016912 /nfs/dbraw/zinc/01/69/12/190016912.db2.gz GMLOJCLCXRNPIP-CQSZACIVSA-N 0 3 285.395 2.770 40 0 CFABHN CC(C)n1cc(-c2cnc(C3CCN(C)CC3)cn2)cn1 ZINC000257221228 190014616 /nfs/dbraw/zinc/01/46/16/190014616.db2.gz DOBCVPSEWBOAFN-UHFFFAOYSA-N 0 3 285.395 2.730 40 0 CFABHN CCCn1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257269242 190024108 /nfs/dbraw/zinc/02/41/08/190024108.db2.gz MPEJTEHDYTZTTI-HNNXBMFYSA-N 0 3 287.411 2.704 40 0 CFABHN Cc1cncc(CN2CCC[C@H](c3ccnc(C)n3)C2)c1 ZINC000257255545 190021190 /nfs/dbraw/zinc/02/11/90/190021190.db2.gz KHWYBPVQABMUJJ-INIZCTEOSA-N 0 3 282.391 2.868 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257281785 190026555 /nfs/dbraw/zinc/02/65/55/190026555.db2.gz OQZWXJCMXNAJOH-INIZCTEOSA-N 0 3 295.386 2.983 40 0 CFABHN c1ccc(CN2C[C@@H]3[C@H](Oc4cccnc4)CC[C@@H]3C2)nc1 ZINC000257309196 190031062 /nfs/dbraw/zinc/03/10/62/190031062.db2.gz TZXOKUSJXMJCLR-FHLIZLRMSA-N 0 3 295.386 2.766 40 0 CFABHN Cc1nc[nH]c1CN1CCC[C@H](c2ccnc(N(C)C)c2)C1 ZINC000257331596 190035470 /nfs/dbraw/zinc/03/54/70/190035470.db2.gz XTNQDOYKNBABIS-HNNXBMFYSA-N 0 3 299.422 2.559 40 0 CFABHN CNc1cc([C@H]2CCCN(Cc3cccn3C)C2)ccn1 ZINC000257334330 190036110 /nfs/dbraw/zinc/03/61/10/190036110.db2.gz YFLHQZYNWZQHKI-HNNXBMFYSA-N 0 3 284.407 2.841 40 0 CFABHN Cc1ccc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)cn1 ZINC000257342870 190037744 /nfs/dbraw/zinc/03/77/44/190037744.db2.gz ZQKZOYSHUDHAKW-OAHLLOKOSA-N 0 3 270.380 2.568 40 0 CFABHN COCCNCc1cccn1-c1ccc(Cl)cc1 ZINC000113704148 376026443 /nfs/dbraw/zinc/02/64/43/376026443.db2.gz JUJXVGYFCRNUDL-UHFFFAOYSA-N 0 3 264.756 2.867 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccncc2)C1 ZINC000114295305 376055561 /nfs/dbraw/zinc/05/55/61/376055561.db2.gz HRVKCBKFPSDJGL-GFCCVEGCSA-N 0 3 263.341 2.503 40 0 CFABHN CC[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(C)cc1 ZINC000172737230 379637212 /nfs/dbraw/zinc/63/72/12/379637212.db2.gz SPIZMFHKYHHPQA-MRXNPFEDSA-N 0 3 274.408 2.904 40 0 CFABHN c1cc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000195250721 382764978 /nfs/dbraw/zinc/76/49/78/382764978.db2.gz BIGYDQLSHPTYIN-AWEZNQCLSA-N 0 3 299.374 2.561 40 0 CFABHN CC(C)[C@H](N)c1nnc2ccc(-c3ccc(F)cc3)nn21 ZINC000217564856 382786733 /nfs/dbraw/zinc/78/67/33/382786733.db2.gz HUXKZFWCSOFXKM-AWEZNQCLSA-N 0 3 285.326 2.586 40 0 CFABHN CCn1c(CNC[C@@H]2CCCO2)ccc1Cc1ccco1 ZINC000226021573 382824338 /nfs/dbraw/zinc/82/43/38/382824338.db2.gz KTRRBIADYUIGRO-KRWDZBQOSA-N 0 3 288.391 2.960 40 0 CFABHN CC(C)N1CCC[C@@H]1c1cccc(N2CCOC2=O)n1 ZINC000257223733 383493245 /nfs/dbraw/zinc/49/32/45/383493245.db2.gz DYQBUGZGCKSWDT-CYBMUJFWSA-N 0 3 275.352 2.584 40 0 CFABHN CC(C)N1CCC[C@@H]1c1cncc(-c2ncco2)n1 ZINC000257314645 383495010 /nfs/dbraw/zinc/49/50/10/383495010.db2.gz UXWMWYXXRFVBTB-CYBMUJFWSA-N 0 3 258.325 2.677 40 0 CFABHN CO[C@H]1CCC[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096248982 256834560 /nfs/dbraw/zinc/83/45/60/256834560.db2.gz IPVZHLADOWXSLU-XBFCOCLRSA-N 0 3 266.410 2.698 40 0 CFABHN CN[C@@H](c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207618 393642182 /nfs/dbraw/zinc/64/21/82/393642182.db2.gz HRJGSVRQCMDHNZ-WCQYABFASA-N 0 3 264.369 2.860 40 0 CFABHN CCN(C)c1ccc([C@@H](N)c2ccccc2)c(C)n1 ZINC000072224288 393647281 /nfs/dbraw/zinc/64/72/81/393647281.db2.gz ZLFAKSKLVQQWNY-INIZCTEOSA-N 0 3 255.365 2.894 40 0 CFABHN N[C@H](c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000072225439 393647593 /nfs/dbraw/zinc/64/75/93/393647593.db2.gz ZGFQWFIKYWFMPF-MRXNPFEDSA-N 0 3 253.349 2.730 40 0 CFABHN OC[C@H]1CCN1C(c1ccccc1)c1ccccc1 ZINC000005338840 170087318 /nfs/dbraw/zinc/08/73/18/170087318.db2.gz ZQFMLZHAZJYUOD-MRXNPFEDSA-N 0 3 253.345 2.843 40 0 CFABHN O=C(NCCN1CCCCC1)Nc1cccc(Cl)c1 ZINC000005344283 170087990 /nfs/dbraw/zinc/08/79/90/170087990.db2.gz HXJMOLBVOAGSTH-UHFFFAOYSA-N 0 3 281.787 2.947 40 0 CFABHN CCc1cc2c(cc1C(=O)CCN(C)C)OCCCO2 ZINC000005470520 170102432 /nfs/dbraw/zinc/10/24/32/170102432.db2.gz TWBLOCIGRFNOQH-UHFFFAOYSA-N 0 3 277.364 2.545 40 0 CFABHN CC(C)c1ccc(NC(=S)NCCN(C)C)cc1 ZINC000007526533 170289294 /nfs/dbraw/zinc/28/92/94/170289294.db2.gz FEKJMCMTTWCLCB-UHFFFAOYSA-N 0 3 265.426 2.658 40 0 CFABHN C[C@H](NC[C@@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636336 170294642 /nfs/dbraw/zinc/29/46/42/170294642.db2.gz SDDLOZBXFNVCLQ-GXTWGEPZSA-N 0 3 251.370 2.513 40 0 CFABHN CC1CCN(Cc2ccc(C(=O)N(C)C)cc2)CC1 ZINC000038832651 174157510 /nfs/dbraw/zinc/15/75/10/174157510.db2.gz GRTJDRQMMFDMJE-UHFFFAOYSA-N 0 3 260.381 2.620 40 0 CFABHN CCN(CC)[C@@H](CNC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000039975668 174180437 /nfs/dbraw/zinc/18/04/37/174180437.db2.gz BIQNAFLHOPXADW-BPUTZDHNSA-N 0 3 274.408 2.842 40 0 CFABHN CCN(CC)[C@@H](CNC(=O)[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000039975666 174180535 /nfs/dbraw/zinc/18/05/35/174180535.db2.gz BIQNAFLHOPXADW-IMJJTQAJSA-N 0 3 274.408 2.842 40 0 CFABHN CCN1CCC[C@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363448 176378058 /nfs/dbraw/zinc/37/80/58/176378058.db2.gz CXSRCWCPMBLBCO-ZDUSSCGKSA-N 0 3 298.394 2.518 40 0 CFABHN CN(C)c1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072363806 176378567 /nfs/dbraw/zinc/37/85/67/176378567.db2.gz RAHFFOHEMFQLPW-UHFFFAOYSA-N 0 3 296.418 2.922 40 0 CFABHN Cc1cncc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072385024 176389318 /nfs/dbraw/zinc/38/93/18/176389318.db2.gz YTQOOMBGGXOPPO-HNNXBMFYSA-N 0 3 268.364 2.560 40 0 CFABHN Cc1noc(C2(C)CCN(CCc3ccccc3)CC2)n1 ZINC000072385011 176389482 /nfs/dbraw/zinc/38/94/82/176389482.db2.gz OCAZLULUYQPQLS-UHFFFAOYSA-N 0 3 285.391 2.974 40 0 CFABHN CC(C)[C@H](N)C(=O)NCc1cccc(Cl)c1Cl ZINC000078409535 177338873 /nfs/dbraw/zinc/33/88/73/177338873.db2.gz CKUTZEWIDKJGOP-NSHDSACASA-N 0 3 275.179 2.593 40 0 CFABHN CCN(CC)CCOc1ccc(C)c2c1C(=O)CC2 ZINC000001675094 276100602 /nfs/dbraw/zinc/10/06/02/276100602.db2.gz SFBIQSMSBNGDEW-UHFFFAOYSA-N 0 3 261.365 2.845 40 0 CFABHN CN(C)[C@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000070453340 276867144 /nfs/dbraw/zinc/86/71/44/276867144.db2.gz XBSIIUGWQNLKMS-QGZVFWFLSA-N 0 3 271.360 2.861 40 0 CFABHN CN1CC=CC[C@@H](C2CCN(Cc3ccccc3)CC2)C1=O ZINC000019695735 277023439 /nfs/dbraw/zinc/02/34/39/277023439.db2.gz CLPUOUALGYOFDW-SFHVURJKSA-N 0 3 298.430 2.933 40 0 CFABHN COc1ccc([C@@H]2CC(N)=NN2c2ccc(OC)cc2)cc1 ZINC000222547957 295218502 /nfs/dbraw/zinc/21/85/02/295218502.db2.gz CGAXXLFDUUJXQR-INIZCTEOSA-N 0 3 297.358 2.927 40 0 CFABHN Cc1cccc(CNCCNc2nc(C)cc(C)n2)c1 ZINC000062717892 333176037 /nfs/dbraw/zinc/17/60/37/333176037.db2.gz BHBDBVKSJALUSM-UHFFFAOYSA-N 0 3 270.380 2.604 40 0 CFABHN C[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1CO ZINC000228905289 525822207 /nfs/dbraw/zinc/82/22/07/525822207.db2.gz GDPKXXOYAFTTGT-CHWSQXEVSA-N 0 3 273.298 2.679 40 0 CFABHN Cc1ccc(-c2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533335 185006912 /nfs/dbraw/zinc/00/69/12/185006912.db2.gz QGVPXKSEUFIZNO-AWEZNQCLSA-N 0 3 282.322 2.967 40 0 CFABHN O=C1Nc2ccccc2C12CCN(Cc1ccccn1)CC2 ZINC000096052478 185074557 /nfs/dbraw/zinc/07/45/57/185074557.db2.gz CJVOMPLVBGUTKW-UHFFFAOYSA-N 0 3 293.370 2.568 40 0 CFABHN Cc1ccc(CN2CCC[C@@]3(CCCC(=O)N3C)C2)o1 ZINC000096049960 185075074 /nfs/dbraw/zinc/07/50/74/185075074.db2.gz WWHDQHNEDJQHQT-INIZCTEOSA-N 0 3 276.380 2.565 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)o1 ZINC000096056545 185077747 /nfs/dbraw/zinc/07/77/47/185077747.db2.gz PGSOPTHSNUEYBO-HZPDHXFCSA-N 0 3 288.391 2.563 40 0 CFABHN CCO[C@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061655 185082677 /nfs/dbraw/zinc/08/26/77/185082677.db2.gz ZNHFWDQCEIRSQO-ROUUACIJSA-N 0 3 297.402 2.699 40 0 CFABHN CCN1C(=O)CCC[C@]12CCCN(Cc1ccco1)C2 ZINC000096077052 185089215 /nfs/dbraw/zinc/08/92/15/185089215.db2.gz PLPNAXTTYDEWMT-MRXNPFEDSA-N 0 3 276.380 2.647 40 0 CFABHN CCO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)o1)C2 ZINC000096107213 185100386 /nfs/dbraw/zinc/10/03/86/185100386.db2.gz YVNVCESMJMWLDZ-CVEARBPZSA-N 0 3 279.380 2.748 40 0 CFABHN O=C1Oc2ccccc2[C@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000016082756 346237698 /nfs/dbraw/zinc/23/76/98/346237698.db2.gz BSSJUCACDKXHPW-CVEARBPZSA-N 0 3 279.339 2.821 40 0 CFABHN CCOC(=O)[C@@H]1CCN[C@@H]1c1ccccc1Cl ZINC000257197758 348306171 /nfs/dbraw/zinc/30/61/71/348306171.db2.gz INRVMGBUEDMVTR-ZYHUDNBSSA-N 0 3 253.729 2.554 40 0 CFABHN NCc1cc(-c2ccc(Br)o2)nc(C2CC2)n1 ZINC000409439533 348602565 /nfs/dbraw/zinc/60/25/65/348602565.db2.gz RWBUFVBYRIVNGI-UHFFFAOYSA-N 0 3 294.152 2.835 40 0 CFABHN CCOC(=O)[C@@]1(c2ccccc2)CCCN(C)CC1 ZINC000001593302 371684587 /nfs/dbraw/zinc/68/45/87/371684587.db2.gz WGJHHMKQBWSQIY-INIZCTEOSA-N 0 3 261.365 2.603 40 0 in-man CFABHN O[C@H](CNCc1ccccc1)Cn1ccc2ccccc21 ZINC000002707603 371746650 /nfs/dbraw/zinc/74/66/50/371746650.db2.gz YYCMZNYZCVUWDS-QGZVFWFLSA-N 0 3 280.371 2.792 40 0 CFABHN COC(=O)[C@H]1CCCN(C)[C@H]1c1c[nH]c2ccccc21 ZINC000005029034 371877449 /nfs/dbraw/zinc/87/74/49/371877449.db2.gz BZTAQJYULZMZGD-SWLSCSKDSA-N 0 3 272.348 2.724 40 0 CFABHN COc1cccc(CN(C)C)c1[C@@H](O)c1ccccc1 ZINC000005599731 371884200 /nfs/dbraw/zinc/88/42/00/371884200.db2.gz RMFTUFXYYPSWKO-KRWDZBQOSA-N 0 3 271.360 2.839 40 0 CFABHN CC(=O)c1ccccc1OC[C@H](O)CN1CCCC[C@@H]1C ZINC000012438636 371964766 /nfs/dbraw/zinc/96/47/66/371964766.db2.gz SJVQHTYMNXUMKQ-DZGCQCFKSA-N 0 3 291.391 2.503 40 0 CFABHN OCCNCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000017309876 372131024 /nfs/dbraw/zinc/13/10/24/372131024.db2.gz VKUCTFUNLURHRY-UHFFFAOYSA-N 0 3 299.399 2.683 40 0 CFABHN NC[C@H](c1ccccc1OC(F)(F)F)N1CCCC1 ZINC000022171617 372244489 /nfs/dbraw/zinc/24/44/89/372244489.db2.gz DBLNMSYTRCDYPT-LLVKDONJSA-N 0 3 274.286 2.681 40 0 CFABHN OCCN(Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000048065324 373140870 /nfs/dbraw/zinc/14/08/70/373140870.db2.gz WDAPZGGNINVTJN-UHFFFAOYSA-N 0 3 260.164 2.950 40 0 CFABHN Fc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000056894875 373573816 /nfs/dbraw/zinc/57/38/16/373573816.db2.gz SMWIICFQVYKFRT-QGZVFWFLSA-N 0 3 270.351 2.972 40 0 CFABHN c1cc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n[nH]1 ZINC000063994801 373817377 /nfs/dbraw/zinc/81/73/77/373817377.db2.gz BIGYDQLSHPTYIN-CQSZACIVSA-N 0 3 299.374 2.561 40 0 CFABHN OC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000070453125 374179357 /nfs/dbraw/zinc/17/93/57/374179357.db2.gz QFPCKGBFIFVKBY-LBPRGKRZSA-N 0 3 275.270 2.714 40 0 CFABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C)C1 ZINC000072370207 374247146 /nfs/dbraw/zinc/24/71/46/374247146.db2.gz HMZWNBVLUSTJIT-SNVBAGLBSA-N 0 3 274.389 2.680 40 0 CFABHN CCOc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074921018 374446873 /nfs/dbraw/zinc/44/68/73/374446873.db2.gz QNYWGNNYAAMQDS-UHFFFAOYSA-N 0 3 276.380 2.756 40 0 CFABHN Cc1ccccc1CN(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079420632 374609953 /nfs/dbraw/zinc/60/99/53/374609953.db2.gz UZUFEMSOZDBRSB-HNNXBMFYSA-N 0 3 262.397 2.715 40 0 CFABHN CCN(Cc1ccc(SC)cc1)C(=O)[C@@H](N)C(C)C ZINC000079420618 374610227 /nfs/dbraw/zinc/61/02/27/374610227.db2.gz MTMQFMRKGBMDND-AWEZNQCLSA-N 0 3 280.437 2.740 40 0 CFABHN c1cc(CN2CC[C@H]3[C@H]2CCN3Cc2ccccn2)co1 ZINC000096184715 375475253 /nfs/dbraw/zinc/47/52/53/375475253.db2.gz WNCFHEYSXVRNPV-SJORKVTESA-N 0 3 283.375 2.523 40 0 CFABHN COC[C@H]1CC[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096186603 375475722 /nfs/dbraw/zinc/47/57/22/375475722.db2.gz KFEBQGYCCOBMEM-XBFCOCLRSA-N 0 3 267.394 2.516 40 0 CFABHN c1cncc(CN2CCN(CC3CC3)Cc3cccnc32)c1 ZINC000096198948 375476689 /nfs/dbraw/zinc/47/66/89/375476689.db2.gz CXXDISKLILQRDL-UHFFFAOYSA-N 0 3 294.402 2.709 40 0 CFABHN CCc1ccc(CN2CCc3ncnc(C)c3CC2)o1 ZINC000096254948 375481073 /nfs/dbraw/zinc/48/10/73/375481073.db2.gz OQVFLGAIIJBAGV-UHFFFAOYSA-N 0 3 271.364 2.541 40 0 CFABHN CCc1ncnc2c1CCN(Cc1ccsc1)CC2 ZINC000096255012 375482189 /nfs/dbraw/zinc/48/21/89/375482189.db2.gz KXGKYDPHNOIBAU-UHFFFAOYSA-N 0 3 273.405 2.701 40 0 CFABHN CCN1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255291 375482385 /nfs/dbraw/zinc/48/23/85/375482385.db2.gz GRNHKYQFMNEJCD-UHFFFAOYSA-N 0 3 271.339 2.703 40 0 CFABHN O[C@H]([C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000100482115 375623072 /nfs/dbraw/zinc/62/30/72/375623072.db2.gz LPHOHFFMCAPPFF-CHWSQXEVSA-N 0 3 273.298 2.822 40 0 CFABHN Cn1nc(CNCCc2ccccc2)cc1C(F)(F)F ZINC000256049760 190002359 /nfs/dbraw/zinc/00/23/59/190002359.db2.gz BIPFOBVIVDUFKJ-UHFFFAOYSA-N 0 3 283.297 2.771 40 0 CFABHN CC[C@H](C)n1nccc1CNCCCOC(C)C ZINC000256051348 190003420 /nfs/dbraw/zinc/00/34/20/190003420.db2.gz IUIJIBDAJVYVLQ-ZDUSSCGKSA-N 0 3 253.390 2.759 40 0 CFABHN CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccco1)[C@@H](C)N(C)C[C@@H]2C ZINC000101236051 375634062 /nfs/dbraw/zinc/63/40/62/375634062.db2.gz URLGZASRDBGECB-VAECKANCSA-N 0 3 289.379 2.515 40 0 CFABHN CCOCCCNCc1cn(C2CCCC2)nc1C ZINC000256055119 190005803 /nfs/dbraw/zinc/00/58/03/190005803.db2.gz ZHFLAVWLKIPBQU-UHFFFAOYSA-N 0 3 265.401 2.823 40 0 CFABHN Cc1cn(C)c([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257208193 190012042 /nfs/dbraw/zinc/01/20/42/190012042.db2.gz BLCKCAAWBRCNKA-HNNXBMFYSA-N 0 3 270.380 2.503 40 0 CFABHN Cc1c(CN2CCC[C@@H](Cc3ccc(C)nc3)C2)cnn1C ZINC000257218258 190014118 /nfs/dbraw/zinc/01/41/18/190014118.db2.gz DCKSYAKJDOGYLH-KRWDZBQOSA-N 0 3 298.434 2.887 40 0 CFABHN COc1ccccc1CN1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000257232414 190017299 /nfs/dbraw/zinc/01/72/99/190017299.db2.gz GKTRQMKACMVLAW-AWEZNQCLSA-N 0 3 271.364 2.716 40 0 CFABHN Cc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2O ZINC000257249958 190020016 /nfs/dbraw/zinc/02/00/16/190020016.db2.gz JKJQZGRJIZEKRP-INIZCTEOSA-N 0 3 275.392 2.501 40 0 CFABHN Cc1cccc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)n1 ZINC000257266239 190023179 /nfs/dbraw/zinc/02/31/79/190023179.db2.gz MCCKKJDRTAMLLM-AWEZNQCLSA-N 0 3 270.380 2.568 40 0 CFABHN Cc1c[nH]c([C@@H]2CCCN(Cc3ccc(C)nc3)C2)n1 ZINC000257265854 190023319 /nfs/dbraw/zinc/02/33/19/190023319.db2.gz MAQDPMGVPYKOSQ-OAHLLOKOSA-N 0 3 270.380 2.801 40 0 CFABHN Cc1c[nH]c([C@H]2CCCN(Cc3ccc(C)nc3)C2)n1 ZINC000257265853 190023524 /nfs/dbraw/zinc/02/35/24/190023524.db2.gz MAQDPMGVPYKOSQ-HNNXBMFYSA-N 0 3 270.380 2.801 40 0 CFABHN CN1CCC(c2ccnc(Nc3cc(F)ccn3)n2)CC1 ZINC000257263231 190022598 /nfs/dbraw/zinc/02/25/98/190022598.db2.gz LOYXNIYQRJWWSE-UHFFFAOYSA-N 0 3 287.342 2.564 40 0 CFABHN Cc1cccc(CN2CCC3(CC2)OCCC[C@@H]3O)c1 ZINC000257302621 190030187 /nfs/dbraw/zinc/03/01/87/190030187.db2.gz SDPHZOTVYXZJRC-INIZCTEOSA-N 0 3 275.392 2.501 40 0 CFABHN Cc1cccc(CN2CCC3(CC2)OCCC[C@H]3O)c1 ZINC000257302622 190030342 /nfs/dbraw/zinc/03/03/42/190030342.db2.gz SDPHZOTVYXZJRC-MRXNPFEDSA-N 0 3 275.392 2.501 40 0 CFABHN CNc1cc([C@@H]2CCCN(Cc3[nH]cnc3C)C2)ccn1 ZINC000257320760 190033153 /nfs/dbraw/zinc/03/31/53/190033153.db2.gz VYMFUCFZRJIUFB-CQSZACIVSA-N 0 3 285.395 2.534 40 0 CFABHN CNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)n1 ZINC000328979980 378446408 /nfs/dbraw/zinc/44/64/08/378446408.db2.gz GJTQRFCTGUOYDH-LLVKDONJSA-N 0 3 268.364 2.778 40 0 CFABHN Cc1c(-c2ccccc2Br)nc(N)n1C ZINC000199559856 382772081 /nfs/dbraw/zinc/77/20/81/382772081.db2.gz RXUIIRDFVNBLRC-UHFFFAOYSA-N 0 3 266.142 2.740 40 0 CFABHN COCCNCc1ccn([C@@H](C)c2ccccc2)c1 ZINC000223694945 382806625 /nfs/dbraw/zinc/80/66/25/382806625.db2.gz UENRWNZJKNYJKX-AWEZNQCLSA-N 0 3 258.365 2.833 40 0 CFABHN Cc1cccc(N2CCC[C@@H](N(C)Cc3cccnc3)C2)n1 ZINC000257201348 383493130 /nfs/dbraw/zinc/49/31/30/383493130.db2.gz AHHMZDNISJAZDW-QGZVFWFLSA-N 0 3 296.418 2.886 40 0 CFABHN CCCN1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216241 393645009 /nfs/dbraw/zinc/64/50/09/393645009.db2.gz XMWLTUXNRDTALY-INIZCTEOSA-N 0 3 289.423 2.855 40 0 CFABHN CCN1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219357 393646650 /nfs/dbraw/zinc/64/66/50/393646650.db2.gz IYMNQPLFMUBBBM-INIZCTEOSA-N 0 3 289.423 2.774 40 0 CFABHN CCOC(=O)NCc1ccc([C@@H]2CCCCCN2)o1 ZINC000217461089 393756986 /nfs/dbraw/zinc/75/69/86/393756986.db2.gz JEIHOKHIEAQKMG-LBPRGKRZSA-N 0 3 266.341 2.730 40 0 CFABHN C[C@H](O)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777572 170015349 /nfs/dbraw/zinc/01/53/49/170015349.db2.gz YEUANSOODKQTER-BMGDILEWSA-N 0 3 285.387 2.822 40 0 CFABHN COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)cc1 ZINC000004837176 170026963 /nfs/dbraw/zinc/02/69/63/170026963.db2.gz PCTOTSPQXJTUKT-XHSDSOJGSA-N 0 3 261.365 2.651 40 0 CFABHN Cc1nc(CN)cc(-c2ccc(Br)cc2)n1 ZINC000020384102 171175453 /nfs/dbraw/zinc/17/54/53/171175453.db2.gz OSNFCJKXADWBMW-UHFFFAOYSA-N 0 3 278.153 2.673 40 0 CFABHN Clc1nccc(N[C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000038579678 174147427 /nfs/dbraw/zinc/14/74/27/174147427.db2.gz PCPRHTBVUIMFTD-ZDUSSCGKSA-N 0 3 288.782 2.816 40 0 CFABHN CN(Cc1ccccc1)C[C@H](O)c1cccc(O)c1 ZINC000044136059 175145926 /nfs/dbraw/zinc/14/59/26/175145926.db2.gz JBBZPOHBHNEKIM-INIZCTEOSA-N 0 3 257.333 2.558 40 0 in-vitro CFABHN O=C(NCc1ccccc1CN1CCCCC1)C1CC1 ZINC000045501039 175380878 /nfs/dbraw/zinc/38/08/78/175380878.db2.gz YQOZXBRSGHCVEZ-UHFFFAOYSA-N 0 3 272.392 2.699 40 0 CFABHN CC1(C)NCCO[C@@H]1c1ccc(Br)cc1 ZINC000071601304 176228275 /nfs/dbraw/zinc/22/82/75/176228275.db2.gz HCPKTHKFUIHTJT-LLVKDONJSA-N 0 3 270.170 2.889 40 0 CFABHN Cc1cccnc1Nc1nccnc1[C@H]1CCCN(C)C1 ZINC000072367710 176382828 /nfs/dbraw/zinc/38/28/28/176382828.db2.gz PAPBXSWAAJUKKE-ZDUSSCGKSA-N 0 3 283.379 2.733 40 0 CFABHN CN1CCC[C@@H](c2nccnc2NC2CCCC2)C1 ZINC000072386475 176391668 /nfs/dbraw/zinc/39/16/68/176391668.db2.gz AWGPNZYFGJCNCT-GFCCVEGCSA-N 0 3 260.385 2.640 40 0 CFABHN CN1CCC[C@H](c2nccnc2NC2CCCC2)C1 ZINC000072386474 176391820 /nfs/dbraw/zinc/39/18/20/176391820.db2.gz AWGPNZYFGJCNCT-LBPRGKRZSA-N 0 3 260.385 2.640 40 0 CFABHN CNc1ncccc1CN1CCC[C@H](Cc2cccnc2)C1 ZINC000072386202 176391857 /nfs/dbraw/zinc/39/18/57/176391857.db2.gz LDCSDOJTKMMBQR-MRXNPFEDSA-N 0 3 296.418 2.973 40 0 CFABHN Cc1c2ccccc2[nH]c1CN1CCC[C@H](CO)C1 ZINC000072397808 176395581 /nfs/dbraw/zinc/39/55/81/176395581.db2.gz OKVKVVRWCVMMQM-ZDUSSCGKSA-N 0 3 258.365 2.681 40 0 CFABHN CCCNc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717697 262302513 /nfs/dbraw/zinc/30/25/13/262302513.db2.gz IGXNTPZHCDKQEL-UHFFFAOYSA-N 0 3 288.370 2.770 40 0 CFABHN Cc1ccc(C)c(NC(=S)NC2CCN(C)CC2)c1 ZINC000013775571 533685688 /nfs/dbraw/zinc/68/56/88/533685688.db2.gz AMPBOSAWFAVQCL-UHFFFAOYSA-N 0 3 277.437 2.684 40 0 CFABHN CN1C(=O)CCC[C@@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000257203408 277006388 /nfs/dbraw/zinc/00/63/88/277006388.db2.gz APXFCCXWGSFXMR-ZIAGYGMSSA-N 0 3 278.421 2.581 40 0 CFABHN CC(C)(C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800946 278325153 /nfs/dbraw/zinc/32/51/53/278325153.db2.gz ZUNQDTVACYAOIU-LLVKDONJSA-N 0 3 256.390 2.632 40 0 CFABHN C[C@@H]1CN([C@H](CN)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000022222626 288251627 /nfs/dbraw/zinc/25/16/27/288251627.db2.gz WWWMEEMLFPNBKO-GBIKHYSHSA-N 0 3 286.778 2.588 40 0 CFABHN C[C@@H]1CN([C@@H](CN)c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000022222621 297069194 /nfs/dbraw/zinc/06/91/94/297069194.db2.gz WWWMEEMLFPNBKO-BREBYQMCSA-N 0 3 286.778 2.588 40 0 CFABHN Cc1cc(-c2nccnc2[C@@H]2CCCN2C(C)C)n[nH]1 ZINC000257301907 301034436 /nfs/dbraw/zinc/03/44/36/301034436.db2.gz SALXGASWJMVOOB-ZDUSSCGKSA-N 0 3 271.368 2.720 40 0 CFABHN c1nn(CC2CCCC2)c2c1CNC[C@H]2COCC1CC1 ZINC000096044748 185072118 /nfs/dbraw/zinc/07/21/18/185072118.db2.gz XFSJRDZNCGFOSA-INIZCTEOSA-N 0 3 289.423 2.687 40 0 CFABHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053580 185074991 /nfs/dbraw/zinc/07/49/91/185074991.db2.gz YMRVJIYUICGOAF-RHSMWYFYSA-N 0 3 296.370 2.683 40 0 CFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096056716 185077338 /nfs/dbraw/zinc/07/73/38/185077338.db2.gz SNXMDLDSVAGHFS-IAGOWNOFSA-N 0 3 293.382 2.843 40 0 CFABHN Cc1ccc(CN2CCc3ncnc(NC4CC4)c3CC2)o1 ZINC000096084024 185092742 /nfs/dbraw/zinc/09/27/42/185092742.db2.gz XHAAOPHMLLDQPL-UHFFFAOYSA-N 0 3 298.390 2.553 40 0 CFABHN c1csc(CN2CCC(n3cnc4nccnc43)CC2)c1 ZINC000306142659 201844541 /nfs/dbraw/zinc/84/45/41/201844541.db2.gz XFTGBZKOGUXGNP-UHFFFAOYSA-N 0 3 299.403 2.725 40 0 CFABHN O=C1Oc2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000033338972 346312140 /nfs/dbraw/zinc/31/21/40/346312140.db2.gz BSSJUCACDKXHPW-HOTGVXAUSA-N 0 3 279.339 2.821 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3c2ncc(C)cn2)o1 ZINC000096038569 347701411 /nfs/dbraw/zinc/70/14/11/347701411.db2.gz IZMZZAPECJEEMO-JKSUJKDBSA-N 0 3 298.390 2.540 40 0 CFABHN Cc1nc(CN)cc(-c2ccccc2Br)n1 ZINC000096979872 347706105 /nfs/dbraw/zinc/70/61/05/347706105.db2.gz FMVAYLFLUKPAAA-UHFFFAOYSA-N 0 3 278.153 2.673 40 0 CFABHN Cc1nc(CN)cc(-c2ccc(Br)s2)n1 ZINC000259099814 348308623 /nfs/dbraw/zinc/30/86/23/348308623.db2.gz PYYBOAFFTFWMSL-UHFFFAOYSA-N 0 3 284.182 2.735 40 0 CFABHN CCCCn1cc(CN2CC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000585181902 348738098 /nfs/dbraw/zinc/73/80/98/348738098.db2.gz GIEKDUGHGZOZBT-CQSZACIVSA-N 0 3 287.411 2.704 40 0 CFABHN C[C@@H](NC(=O)[C@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000019806842 296100862 /nfs/dbraw/zinc/10/08/62/296100862.db2.gz YBIMVCRJKAICAR-CDJLDAARSA-N 0 3 290.451 2.850 40 0 CFABHN C[C@@H](CN(C)C)OC(=O)Nc1ccc(Cl)cc1 ZINC000001671722 371695584 /nfs/dbraw/zinc/69/55/84/371695584.db2.gz BQHBCYWOGCHHRD-VIFPVBQESA-N 0 3 256.733 2.839 40 0 CFABHN C[C@@H](CN(C)C)OC(=O)Nc1ccccc1Cl ZINC000001671715 371695618 /nfs/dbraw/zinc/69/56/18/371695618.db2.gz HMQWDSFEKJXYAJ-VIFPVBQESA-N 0 3 256.733 2.839 40 0 CFABHN COc1ccc([C@@H]2NCCc3ccccc32)cc1OC ZINC000011597212 371921347 /nfs/dbraw/zinc/92/13/47/371921347.db2.gz BUKCIQYLSXLYGW-KRWDZBQOSA-N 0 3 269.344 2.939 40 0 CFABHN Cc1cc2occ(CC(=O)N(C)CCN(C)C)c2c(C)c1 ZINC000012360872 371954761 /nfs/dbraw/zinc/95/47/61/371954761.db2.gz MEQKPQBJBNTISG-UHFFFAOYSA-N 0 3 288.391 2.612 40 0 CFABHN CCOc1ccccc1CNCCN(CC)CC ZINC000019919152 372210519 /nfs/dbraw/zinc/21/05/19/372210519.db2.gz NUXTWCIDVIOAAE-UHFFFAOYSA-N 0 3 250.386 2.517 40 0 CFABHN CCN(Cc1ccccc1Cl)C(=O)[C@@H](N)C(C)C ZINC000037808775 372718935 /nfs/dbraw/zinc/71/89/35/372718935.db2.gz XNGUXBGUIVATFU-ZDUSSCGKSA-N 0 3 268.788 2.672 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000037799154 372712903 /nfs/dbraw/zinc/71/29/03/372712903.db2.gz FHTWBBBLFBHOEZ-LBPRGKRZSA-N 0 3 289.206 2.935 40 0 CFABHN COc1ccc(CNCCC(=O)OC(C)(C)C)cc1 ZINC000047218990 373084884 /nfs/dbraw/zinc/08/48/84/373084884.db2.gz BHQGNKMGMBTYNE-UHFFFAOYSA-N 0 3 265.353 2.517 40 0 CFABHN CC(C)N(CCO)Cc1cccc(C(F)(F)F)c1 ZINC000049825081 373319518 /nfs/dbraw/zinc/31/95/18/373319518.db2.gz RUJCFCGEMSUIDO-UHFFFAOYSA-N 0 3 261.287 2.908 40 0 CFABHN CN(C)[C@@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000070453339 374180409 /nfs/dbraw/zinc/18/04/09/374180409.db2.gz XBSIIUGWQNLKMS-KRWDZBQOSA-N 0 3 271.360 2.861 40 0 CFABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C)C1 ZINC000072370208 374246319 /nfs/dbraw/zinc/24/63/19/374246319.db2.gz HMZWNBVLUSTJIT-JTQLQIEISA-N 0 3 274.389 2.680 40 0 CFABHN CN1CCC[C@@H](C(=O)Nc2ccccc2Cl)C1 ZINC000073152938 374326324 /nfs/dbraw/zinc/32/63/24/374326324.db2.gz VBBVYEKKKDLULD-SNVBAGLBSA-N 0 3 252.745 2.620 40 0 CFABHN CN1CCC(C(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000074713378 374435002 /nfs/dbraw/zinc/43/50/02/374435002.db2.gz OPMUYUMWVQLRDP-UHFFFAOYSA-N 0 3 286.297 2.986 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1F)C(C)C ZINC000079420629 374609671 /nfs/dbraw/zinc/60/96/71/374609671.db2.gz TZWHMKXVULIZCI-AWEZNQCLSA-N 0 3 266.360 2.546 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1)C1CC1 ZINC000079420653 374609826 /nfs/dbraw/zinc/60/98/26/374609826.db2.gz ZETUFHHRRCXISF-AWEZNQCLSA-N 0 3 280.799 2.814 40 0 CFABHN CCN(Cc1c(F)cccc1Cl)C(=O)[C@@H](N)C(C)C ZINC000079420376 374610240 /nfs/dbraw/zinc/61/02/40/374610240.db2.gz KWGPAZIKBRIUCV-ZDUSSCGKSA-N 0 3 286.778 2.811 40 0 CFABHN C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1 ZINC000083451836 374746113 /nfs/dbraw/zinc/74/61/13/374746113.db2.gz FWOLXOXRFXNWLP-MRVPVSSYSA-N 0 3 262.250 2.643 40 0 CFABHN COC(=O)CCC1=CCCN(Cc2ccccc2)C1 ZINC000090514163 375018139 /nfs/dbraw/zinc/01/81/39/375018139.db2.gz FHRNDAAIZFFPOL-UHFFFAOYSA-N 0 3 259.349 2.772 40 0 CFABHN c1cc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)co1 ZINC000096047146 375468999 /nfs/dbraw/zinc/46/89/99/375468999.db2.gz HDMAZXKOHUFCLQ-KRWDZBQOSA-N 0 3 298.390 2.562 40 0 CFABHN COc1c(C)cc(-c2noc([C@H]3CCCN3)n2)cc1C ZINC000095095414 375414271 /nfs/dbraw/zinc/41/42/71/375414271.db2.gz DYNIWNFNWPVEJO-GFCCVEGCSA-N 0 3 273.336 2.787 40 0 CFABHN COc1cccc(CCNCc2ccnn2C(F)F)c1 ZINC000256050381 190003178 /nfs/dbraw/zinc/00/31/78/190003178.db2.gz DUUPLVDCOSUFIK-UHFFFAOYSA-N 0 3 281.306 2.619 40 0 CFABHN Cc1cn(C)c([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000257208194 190012085 /nfs/dbraw/zinc/01/20/85/190012085.db2.gz BLCKCAAWBRCNKA-OAHLLOKOSA-N 0 3 270.380 2.503 40 0 CFABHN CCc1nccn1-c1cncc([C@@H]2CCCN2C(C)C)n1 ZINC000257232795 190016644 /nfs/dbraw/zinc/01/66/44/190016644.db2.gz GMLOJCLCXRNPIP-AWEZNQCLSA-N 0 3 285.395 2.770 40 0 CFABHN CC(C)n1nccc1-c1cncc([C@@H]2CCCN2C)n1 ZINC000257221849 190014994 /nfs/dbraw/zinc/01/49/94/190014994.db2.gz DQUHMIJXRLMZSN-AWEZNQCLSA-N 0 3 271.368 2.688 40 0 CFABHN Cc1c[nH]c([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257265685 190023153 /nfs/dbraw/zinc/02/31/53/190023153.db2.gz LZWBXKOHMCPWRU-INIZCTEOSA-N 0 3 295.386 2.983 40 0 CFABHN CNc1cc([C@@H]2CCCN(Cc3cccnc3)C2)ccn1 ZINC000257272185 190023717 /nfs/dbraw/zinc/02/37/17/190023717.db2.gz NBIVUYDFPQCYJW-MRXNPFEDSA-N 0 3 282.391 2.898 40 0 CFABHN CCCn1nccc1-c1cnc(C2CCN(C)CC2)cn1 ZINC000257312548 190031620 /nfs/dbraw/zinc/03/16/20/190031620.db2.gz UOMFUZJKZKRNEK-UHFFFAOYSA-N 0 3 285.395 2.559 40 0 CFABHN CN1CCC[C@@H](c2cccc(NCc3ccccn3)n2)C1 ZINC000257331934 190035342 /nfs/dbraw/zinc/03/53/42/190035342.db2.gz XUYOVMLFNDYUFZ-CQSZACIVSA-N 0 3 282.391 2.898 40 0 CFABHN CN1CCC[C@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306137678 382453550 /nfs/dbraw/zinc/45/35/50/382453550.db2.gz RCZLZJQWRJLCLV-HNNXBMFYSA-N 0 3 293.374 2.601 40 0 CFABHN CN1CCC[C@@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306138526 382453568 /nfs/dbraw/zinc/45/35/68/382453568.db2.gz RZTQQNRQFDVBLE-OAHLLOKOSA-N 0 3 293.374 2.601 40 0 CFABHN COCCNCc1cccn1-c1cc(C)ccc1C ZINC000223681656 382806306 /nfs/dbraw/zinc/80/63/06/382806306.db2.gz GIZQUNPCSSJZLE-UHFFFAOYSA-N 0 3 258.365 2.830 40 0 CFABHN Cc1[nH]ncc1CN1Cc2nccn2C[C@H]1c1ccccc1 ZINC000257238792 383493779 /nfs/dbraw/zinc/49/37/79/383493779.db2.gz HMNYILLNVSAAQY-INIZCTEOSA-N 0 3 293.374 2.672 40 0 CFABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1ccccn1 ZINC000257295095 383494958 /nfs/dbraw/zinc/49/49/58/383494958.db2.gz QWYUPHABZOKZFR-CQSZACIVSA-N 0 3 256.353 2.840 40 0 CFABHN CC(C)n1nccc1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000257330697 383495063 /nfs/dbraw/zinc/49/50/63/383495063.db2.gz XPNORULFGBCFQC-ZDUSSCGKSA-N 0 3 285.395 2.730 40 0 CFABHN FC(F)c1n[nH]c2c1C[C@@H]1CN(Cc3ccccn3)C[C@H]21 ZINC000019401904 393483132 /nfs/dbraw/zinc/48/31/32/393483132.db2.gz LGSZWQQUNYCYJE-SKDRFNHKSA-N 0 3 290.317 2.514 40 0 CFABHN CN[C@H](c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207617 393642063 /nfs/dbraw/zinc/64/20/63/393642063.db2.gz HRJGSVRQCMDHNZ-YPMHNXCESA-N 0 3 264.369 2.860 40 0 CFABHN CO[C@H]1CN(Cc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257284777 393945199 /nfs/dbraw/zinc/94/51/99/393945199.db2.gz PEGFQRBLKWIQBF-HOTGVXAUSA-N 0 3 279.355 2.596 40 0 CFABHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1 ZINC000072208917 397590510 /nfs/dbraw/zinc/59/05/10/397590510.db2.gz SQWVCBMYWHDLCU-ZYHUDNBSSA-N 0 3 250.342 2.600 40 0 CFABHN O=C(c1ccccc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004745998 170010314 /nfs/dbraw/zinc/01/03/14/170010314.db2.gz VXXFRTLOMBXMOB-NJAFHUGGSA-N 0 3 296.414 2.657 40 0 CFABHN O=Cc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[O-] ZINC000005943973 170160345 /nfs/dbraw/zinc/16/03/45/170160345.db2.gz ZHLARUGYDIKKSN-GDBMZVCRSA-N 0 3 289.375 2.848 40 0 CFABHN O=Cc1ccc(OC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1[O-] ZINC000005943973 170160348 /nfs/dbraw/zinc/16/03/48/170160348.db2.gz ZHLARUGYDIKKSN-GDBMZVCRSA-N 0 3 289.375 2.848 40 0 CFABHN S=C(NCCc1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000006414188 170199596 /nfs/dbraw/zinc/19/95/96/170199596.db2.gz ZUJDCTSKTGTDOA-ZNMIVQPWSA-N 0 3 274.433 2.882 40 0 CFABHN C[C@H]1CCCCN1C[C@H](O)COc1ccccc1Cl ZINC000006455738 170202434 /nfs/dbraw/zinc/20/24/34/170202434.db2.gz UKYJCOVBHITCED-STQMWFEESA-N 0 3 283.799 2.954 40 0 CFABHN Cc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)c(C)c1 ZINC000009876129 170388379 /nfs/dbraw/zinc/38/83/79/170388379.db2.gz NJSQGKUYWSNBJS-AWEZNQCLSA-N 0 3 291.464 2.932 40 0 CFABHN CN1CCC[C@H](CNC(=S)Nc2ccccc2Cl)C1 ZINC000009876179 170388454 /nfs/dbraw/zinc/38/84/54/170388454.db2.gz OPCOMJLSVVXKPT-LLVKDONJSA-N 0 3 297.855 2.968 40 0 CFABHN NC[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000038531484 174143945 /nfs/dbraw/zinc/14/39/45/174143945.db2.gz KJUKXDDEPPBPSY-OAHLLOKOSA-N 0 3 270.332 2.613 40 0 CFABHN CCOC(=O)c1cccc([C@@H](N)c2cccc(OC)c2)c1 ZINC000044713513 175236028 /nfs/dbraw/zinc/23/60/28/175236028.db2.gz PWPKFDBFHHVIHW-MRXNPFEDSA-N 0 3 285.343 2.920 40 0 CFABHN CC(C)c1nccn1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000072350497 176373728 /nfs/dbraw/zinc/37/37/28/176373728.db2.gz UYSBSZOTKPWHKY-CYBMUJFWSA-N 0 3 285.395 2.595 40 0 CFABHN CCN1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361570 176377392 /nfs/dbraw/zinc/37/73/92/176377392.db2.gz KFMRGDMOZUAAAT-UHFFFAOYSA-N 0 3 284.363 2.863 40 0 CFABHN CC(C)N1CCC[C@@H](Cc2nccnc2Cl)C1 ZINC000072363356 176377457 /nfs/dbraw/zinc/37/74/57/176377457.db2.gz IQHSSJVBLOQEJV-NSHDSACASA-N 0 3 253.777 2.793 40 0 CFABHN Cc1cc(Oc2cccnc2)nc(C2CCN(C)CC2)n1 ZINC000072365071 176380092 /nfs/dbraw/zinc/38/00/92/176380092.db2.gz MSOHUNWTNLBPNT-UHFFFAOYSA-N 0 3 284.363 2.782 40 0 CFABHN CC(C)Nc1ncc(CNCCc2ccccc2)cn1 ZINC000062717605 262302392 /nfs/dbraw/zinc/30/23/92/262302392.db2.gz YIQWXNWIXILBGS-UHFFFAOYSA-N 0 3 270.380 2.629 40 0 CFABHN COC(=O)c1ccc(/C=C/C2=CCN(C)CC2)cc1 ZINC000012143033 277153861 /nfs/dbraw/zinc/15/38/61/277153861.db2.gz QZSFDSDAYLIXKS-ONEGZZNKSA-N 0 3 257.333 2.748 40 0 CFABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(C)C)C[C@H]12 ZINC000107260348 278058295 /nfs/dbraw/zinc/05/82/95/278058295.db2.gz NPAMZSABRLNJPF-ROUUACIJSA-N 0 3 286.419 2.659 40 0 CFABHN Cc1ccc(CNCCNc2nc(C)cc(C)n2)s1 ZINC000062717858 333176069 /nfs/dbraw/zinc/17/60/69/333176069.db2.gz DHRFLFHEWMBJOL-UHFFFAOYSA-N 0 3 276.409 2.665 40 0 CFABHN N[C@H](Cc1ccccc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700159 527389632 /nfs/dbraw/zinc/38/96/32/527389632.db2.gz KNHDSJBPQPZUSY-LLVKDONJSA-N 0 3 270.361 2.776 40 0 CFABHN FC(F)Oc1cccc(CNC[C@@H]2CCCO2)c1 ZINC000062700662 527696543 /nfs/dbraw/zinc/69/65/43/527696543.db2.gz INFXRBDIFSMFHE-LBPRGKRZSA-N 0 3 257.280 2.557 40 0 CFABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3cccc(O)c3)n2)cc1 ZINC000095534099 185005707 /nfs/dbraw/zinc/00/57/07/185005707.db2.gz VGEFKHMSJDKHPR-CQSZACIVSA-N 0 3 280.331 2.534 40 0 CFABHN Cc1ccc(-c2nc([C@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533334 185007148 /nfs/dbraw/zinc/00/71/48/185007148.db2.gz QGVPXKSEUFIZNO-CQSZACIVSA-N 0 3 282.322 2.967 40 0 CFABHN CN1C(=O)CCC[C@]12CCCN(Cc1ccsc1)C2 ZINC000096049954 185074431 /nfs/dbraw/zinc/07/44/31/185074431.db2.gz BWZPCOZMITYSTL-OAHLLOKOSA-N 0 3 278.421 2.725 40 0 CFABHN COc1ccc(CN2CC[C@H]3C[C@H](C)O[C@@H]3C2)cc1 ZINC000096062533 185083333 /nfs/dbraw/zinc/08/33/33/185083333.db2.gz LHLDYCZMCHJNHL-DUVNUKRYSA-N 0 3 261.365 2.695 40 0 CFABHN OCC1CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000096836634 185115688 /nfs/dbraw/zinc/11/56/88/185115688.db2.gz NSZXVOQAXHHDAX-UHFFFAOYSA-N 0 3 274.339 2.578 40 0 CFABHN CO[C@@H]1CN(Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279429 348738879 /nfs/dbraw/zinc/73/88/79/348738879.db2.gz MDDDGYJCJUQLJH-SJLPKXTDSA-N 0 3 299.418 2.798 40 0 CFABHN CC(C)N1CC2(C1)C[C@H](OCc1ccccn1)CS2 ZINC000585105268 348734150 /nfs/dbraw/zinc/73/41/50/348734150.db2.gz RTCWAXJLUGWQKZ-AWEZNQCLSA-N 0 3 278.421 2.567 40 0 CFABHN c1cncc(O[C@H]2CSC3(CN(C4CCC4)C3)C2)c1 ZINC000585103325 348734621 /nfs/dbraw/zinc/73/46/21/348734621.db2.gz AQYIKEJVQJFWTC-CQSZACIVSA-N 0 3 276.405 2.573 40 0 CFABHN Cc1c(F)cccc1CN1CCC2(CCC(=O)NC2)CC1 ZINC000108526203 186220887 /nfs/dbraw/zinc/22/08/87/186220887.db2.gz VHKRPUREPUSICV-UHFFFAOYSA-N 0 3 290.382 2.626 40 0 CFABHN O[C@H](COc1ccccc1Cl)CN1CCCCC1 ZINC000001575362 371683552 /nfs/dbraw/zinc/68/35/52/371683552.db2.gz GCSJPQCYLOSWBR-LBPRGKRZSA-N 0 3 269.772 2.566 40 0 CFABHN CN1CCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1 ZINC000001594090 371684567 /nfs/dbraw/zinc/68/45/67/371684567.db2.gz RJCOJCFNNDCSOK-KRWDZBQOSA-N 0 3 267.372 2.669 40 0 CFABHN COC(=O)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000001664908 371691862 /nfs/dbraw/zinc/69/18/62/371691862.db2.gz XANXIGGTTWJFID-GFCCVEGCSA-N 0 3 272.348 2.553 40 0 CFABHN O[C@H](CN[C@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718122 371702051 /nfs/dbraw/zinc/70/20/51/371702051.db2.gz MXUUOMBREIUEQT-QAPCUYQASA-N 0 3 283.371 2.703 40 0 CFABHN CCCCCCN1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731648 371702825 /nfs/dbraw/zinc/70/28/25/371702825.db2.gz LIDIEESTMCMGMQ-ZDUSSCGKSA-N 0 3 256.390 2.729 40 0 CFABHN Cc1ccc([C@@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000012357111 371954837 /nfs/dbraw/zinc/95/48/37/371954837.db2.gz XXAGTFDDCAQYAH-LBPRGKRZSA-N 0 3 250.342 2.520 40 0 CFABHN Cc1[nH]c2cccc(C(=O)N[C@H]3CCCN(C)C3)c2c1C ZINC000019576795 372175781 /nfs/dbraw/zinc/17/57/81/372175781.db2.gz XYNIXGMAKLFSDQ-ZDUSSCGKSA-N 0 3 285.391 2.609 40 0 CFABHN O=c1[nH]c2ccccc2cc1CNCc1ccccc1 ZINC000020086640 372227013 /nfs/dbraw/zinc/22/70/13/372227013.db2.gz QYMNLXNVWZZJAM-UHFFFAOYSA-N 0 3 264.328 2.818 40 0 CFABHN c1ccc2c(c1)CCc1c(cccc1N1CCNCC1)C2 ZINC000022116450 372244708 /nfs/dbraw/zinc/24/47/08/372244708.db2.gz KGZOIFHAVUHXET-UHFFFAOYSA-N 0 3 278.399 2.786 40 0 CFABHN CC[NH+](CC)Cc1nc2nc(Cl)c(Cl)nc2[n-]1 ZINC000033849080 372499586 /nfs/dbraw/zinc/49/95/86/372499586.db2.gz LCPUDEJABQHFDY-UHFFFAOYSA-N 0 3 274.155 2.502 40 0 CFABHN CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CN ZINC000037817056 372722386 /nfs/dbraw/zinc/72/23/86/372722386.db2.gz KIAUQAXVLRJNIR-UHFFFAOYSA-N 0 3 275.179 2.689 40 0 CFABHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cccc(F)c2)C1 ZINC000046882587 373067449 /nfs/dbraw/zinc/06/74/49/373067449.db2.gz ZAIPCXQIUVHFBS-CHWSQXEVSA-N 0 3 278.371 2.533 40 0 CFABHN CCOc1cc(CNCCOC)ccc1O[C@H](C)CC ZINC000062731214 373765287 /nfs/dbraw/zinc/76/52/87/373765287.db2.gz RTMLIZHZWZLYNY-CYBMUJFWSA-N 0 3 281.396 2.999 40 0 CFABHN CN1CCC(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000074713346 374434867 /nfs/dbraw/zinc/43/48/67/374434867.db2.gz GQCLXZCJJLSSEX-UHFFFAOYSA-N 0 3 252.745 2.620 40 0 CFABHN C[C@H]1Cc2ccccc2N1C(=O)CC1CCN(C)CC1 ZINC000074921072 374447093 /nfs/dbraw/zinc/44/70/93/374447093.db2.gz SVIFNEOAUUSHTP-ZDUSSCGKSA-N 0 3 272.392 2.696 40 0 CFABHN Cc1ccc(C)c(NC(=O)CC2CCN(C)CC2)c1 ZINC000074920987 374447497 /nfs/dbraw/zinc/44/74/97/374447497.db2.gz AFHFHRCBZKAVTC-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(F)cc1)C(C)C ZINC000079420411 374610130 /nfs/dbraw/zinc/61/01/30/374610130.db2.gz HIYHLABMALBFQA-AWEZNQCLSA-N 0 3 266.360 2.546 40 0 CFABHN CC(C)NCc1ccccc1I ZINC000079438394 374611699 /nfs/dbraw/zinc/61/16/99/374611699.db2.gz XSBRNDDHECCPFP-UHFFFAOYSA-N 0 3 275.133 2.789 40 0 CFABHN O=C1Oc2ccccc2[C@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000080274210 374647969 /nfs/dbraw/zinc/64/79/69/374647969.db2.gz BSSJUCACDKXHPW-HZPDHXFCSA-N 0 3 279.339 2.821 40 0 CFABHN C[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000095088935 375411596 /nfs/dbraw/zinc/41/15/96/375411596.db2.gz SHSRBPGOGUWTTM-OLZOCXBDSA-N 0 3 291.395 2.742 40 0 CFABHN Cc1c(CNCc2ccccc2)cnn1CC(F)F ZINC000256049746 190002521 /nfs/dbraw/zinc/00/25/21/190002521.db2.gz BGGOCVXPULCUMX-UHFFFAOYSA-N 0 3 265.307 2.746 40 0 CFABHN Cc1nn(C(C)C)cc1CNCCCOC(C)C ZINC000256051203 190003534 /nfs/dbraw/zinc/00/35/34/190003534.db2.gz IDLLHKUFKAITSP-UHFFFAOYSA-N 0 3 253.390 2.677 40 0 CFABHN COc1ccc([C@H]2CNCCN2CCC(F)(F)F)cc1 ZINC000257208383 190012112 /nfs/dbraw/zinc/01/21/12/190012112.db2.gz BLYSEEHHULDAFX-CYBMUJFWSA-N 0 3 288.313 2.594 40 0 CFABHN Cc1ccc(C[C@H]2CCN(Cc3ccncc3)C2)nc1 ZINC000257222491 190014330 /nfs/dbraw/zinc/01/43/30/190014330.db2.gz DTLWHFDTIZYWQQ-MRXNPFEDSA-N 0 3 267.376 2.850 40 0 CFABHN CNc1cc([C@@H]2CCCN(Cc3cnn(C)c3C)C2)ccn1 ZINC000257267898 190023388 /nfs/dbraw/zinc/02/33/88/190023388.db2.gz MJICTHDBAWBGCP-OAHLLOKOSA-N 0 3 299.422 2.545 40 0 CFABHN CNc1ncccc1CN1CCC[C@@H](Cc2ccccn2)C1 ZINC000257276339 190024533 /nfs/dbraw/zinc/02/45/33/190024533.db2.gz NTGVEYXMADBDPA-HNNXBMFYSA-N 0 3 296.418 2.973 40 0 CFABHN COc1ccc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257307623 190031352 /nfs/dbraw/zinc/03/13/52/190031352.db2.gz SZNJFYILPFGHHE-CQSZACIVSA-N 0 3 271.364 2.716 40 0 CFABHN Cc1c[nH]c([C@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000257341940 190037279 /nfs/dbraw/zinc/03/72/79/190037279.db2.gz ZMMUWYXZQIIBEV-HNNXBMFYSA-N 0 3 285.391 2.977 40 0 CFABHN C[C@@H]1CCCN([C@H](CN)c2cc(F)ccc2F)C1 ZINC000252117737 383405102 /nfs/dbraw/zinc/40/51/02/383405102.db2.gz IVLWCLGNKWTENP-QMTHXVAHSA-N 0 3 254.324 2.697 40 0 CFABHN CCN1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251901 256834677 /nfs/dbraw/zinc/83/46/77/256834677.db2.gz PHBHBAPCLDGUFX-PKOBYXMFSA-N 0 3 298.430 2.661 40 0 CFABHN CSc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717226 393627236 /nfs/dbraw/zinc/62/72/36/393627236.db2.gz BGBVOIYOUPFGGI-UHFFFAOYSA-N 0 3 277.368 2.670 40 0 CFABHN CN[C@H](c1ccccc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000072207616 393642739 /nfs/dbraw/zinc/64/27/39/393642739.db2.gz HRJGSVRQCMDHNZ-AAEUAGOBSA-N 0 3 264.369 2.860 40 0 CFABHN CCN1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219417 393646059 /nfs/dbraw/zinc/64/60/59/393646059.db2.gz XTGIIOZBZFHPLY-INIZCTEOSA-N 0 3 289.423 2.774 40 0 CFABHN Cc1cc(N2CCNCC2)ncc1SC(C)(C)C ZINC000072223589 393646442 /nfs/dbraw/zinc/64/64/42/393646442.db2.gz ACLSAJZMHCNSGR-UHFFFAOYSA-N 0 3 265.426 2.690 40 0 CFABHN C[C@@H]1CCCN([C@@H](CN)c2cncc(Br)c2)C1 ZINC000096511152 393836405 /nfs/dbraw/zinc/83/64/05/393836405.db2.gz IGLNQGPKWSTJQT-MFKMUULPSA-N 0 3 298.228 2.576 40 0 CFABHN COc1cc2c(cc1OC)[C@H](c1cc(C)ccc1N)NCC2 ZINC000005337255 170086998 /nfs/dbraw/zinc/08/69/98/170086998.db2.gz HGOFUSCHJKPINM-GOSISDBHSA-N 0 3 298.386 2.830 40 0 CFABHN C[C@@H](O)CNCc1ccc(OCc2cccs2)cc1 ZINC000005912739 170154229 /nfs/dbraw/zinc/15/42/29/170154229.db2.gz IUTFFYDPUPIMQP-GFCCVEGCSA-N 0 3 277.389 2.798 40 0 CFABHN Cc1ccc(C)c(NC(=S)NC[C@H]2CCCN(C)C2)c1 ZINC000009876146 170388150 /nfs/dbraw/zinc/38/81/50/170388150.db2.gz GDCFZJUDLBRQIH-CQSZACIVSA-N 0 3 291.464 2.932 40 0 CFABHN COc1cccc(-c2cncc([C@@H]3CCCN(C)C3)n2)c1 ZINC000072359276 176376707 /nfs/dbraw/zinc/37/67/07/176376707.db2.gz WWBODDUZVVHKJI-CQSZACIVSA-N 0 3 283.375 2.961 40 0 CFABHN CC[N@@H+]1CCC[C@@H](c2csc([N-]c3cnccn3)n2)C1 ZINC000072363451 176378227 /nfs/dbraw/zinc/37/82/27/176378227.db2.gz HKDGTVXCPWRRDT-LLVKDONJSA-N 0 3 289.408 2.876 40 0 CFABHN CC[N@H+]1CCC[C@@H](c2csc([N-]c3cnccn3)n2)C1 ZINC000072363451 176378230 /nfs/dbraw/zinc/37/82/30/176378230.db2.gz HKDGTVXCPWRRDT-LLVKDONJSA-N 0 3 289.408 2.876 40 0 CFABHN c1cc(CN2CCC[C@@H](c3ccncc3)C2)ccn1 ZINC000072367930 176382549 /nfs/dbraw/zinc/38/25/49/176382549.db2.gz YIPRVTYOJGXJTI-MRXNPFEDSA-N 0 3 253.349 2.856 40 0 CFABHN CC(C)CN1CCC[C@H]1c1nccnc1Nc1cnccn1 ZINC000072384602 176388854 /nfs/dbraw/zinc/38/88/54/176388854.db2.gz IZOCJYNFFHTEHL-ZDUSSCGKSA-N 0 3 298.394 2.803 40 0 CFABHN CN1CCC[C@@H]1c1cccc(NCc2ccncc2)n1 ZINC000072386712 176392197 /nfs/dbraw/zinc/39/21/97/176392197.db2.gz IZIOCNRMGFPVNW-OAHLLOKOSA-N 0 3 268.364 2.855 40 0 CFABHN Cc1c[nH]nc1C1(C)CCN(Cc2cccc(C)n2)CC1 ZINC000072388899 176394045 /nfs/dbraw/zinc/39/40/45/176394045.db2.gz CNEHCODAIXUFLQ-UHFFFAOYSA-N 0 3 284.407 2.975 40 0 CFABHN OCC[C@@H]1CCCCN1Cc1c[nH]nc1-c1cccs1 ZINC000072397791 176395518 /nfs/dbraw/zinc/39/55/18/176395518.db2.gz CXKCWLGIGPEHBS-ZDUSSCGKSA-N 0 3 291.420 2.875 40 0 CFABHN Cc1ccsc1CNCCNc1nc(C)cc(C)n1 ZINC000062717896 262301842 /nfs/dbraw/zinc/30/18/42/262301842.db2.gz GFGJRPFZZYHOPU-UHFFFAOYSA-N 0 3 276.409 2.665 40 0 CFABHN CCCCOCCCNCc1cnc(NCCC)nc1 ZINC000062717716 262302424 /nfs/dbraw/zinc/30/24/24/262302424.db2.gz KWRHQCACIDEYGY-UHFFFAOYSA-N 0 3 280.416 2.595 40 0 CFABHN Cc1c(-c2ccc(Br)cc2)nc(N)n1C ZINC000199560587 280195447 /nfs/dbraw/zinc/19/54/47/280195447.db2.gz RKLPOKGCTSGCAM-UHFFFAOYSA-N 0 3 266.142 2.740 40 0 CFABHN CC(C)N1c2ccc(F)cc2C2(CCN(C)CC2)C1=O ZINC000105050093 277647106 /nfs/dbraw/zinc/64/71/06/277647106.db2.gz BUIIXAUICZUUDR-UHFFFAOYSA-N 0 3 276.355 2.544 40 0 CFABHN NCc1c(Br)cccc1Br ZINC000199464583 295276700 /nfs/dbraw/zinc/27/67/00/295276700.db2.gz NOIYICCREATUBZ-UHFFFAOYSA-N 0 3 264.948 2.670 40 0 CFABHN CCOC(=O)c1ccc(CN2CCCCCC2)o1 ZINC000062718781 521473961 /nfs/dbraw/zinc/47/39/61/521473961.db2.gz NJTLPCQOBBNHGQ-UHFFFAOYSA-N 0 3 251.326 2.832 40 0 CFABHN C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@@H]1CO ZINC000228905272 525235057 /nfs/dbraw/zinc/23/50/57/525235057.db2.gz GDPKXXOYAFTTGT-OLZOCXBDSA-N 0 3 273.298 2.679 40 0 CFABHN N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000261746740 527383535 /nfs/dbraw/zinc/38/35/35/527383535.db2.gz SSNWCEZBVVDBRS-BRWVUGGUSA-N 0 3 286.419 2.956 40 0 CFABHN Cc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533467 185006499 /nfs/dbraw/zinc/00/64/99/185006499.db2.gz PXOMJRFYQZJQLQ-AWEZNQCLSA-N 0 3 264.332 2.828 40 0 CFABHN COc1cccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000095533498 185007350 /nfs/dbraw/zinc/00/73/50/185007350.db2.gz BFXFFNKBRXXJQW-AWEZNQCLSA-N 0 3 298.321 2.668 40 0 CFABHN CC(C)[C@@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000095534701 185007415 /nfs/dbraw/zinc/00/74/15/185007415.db2.gz ZTOYTMGWVYRMMP-GFCCVEGCSA-N 0 3 280.759 2.693 40 0 CFABHN CC(C)[C@@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[n-]1 ZINC000095534701 185007417 /nfs/dbraw/zinc/00/74/17/185007417.db2.gz ZTOYTMGWVYRMMP-GFCCVEGCSA-N 0 3 280.759 2.693 40 0 CFABHN CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O ZINC000000001275 282103910 /nfs/dbraw/zinc/10/39/10/282103910.db2.gz QPGGEKPRGVJKQB-UHFFFAOYSA-N 0 3 295.386 2.976 40 0 world CFABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096039326 185069468 /nfs/dbraw/zinc/06/94/68/185069468.db2.gz DEJDKHNIGFFHTQ-SJORKVTESA-N 0 3 293.407 2.996 40 0 CFABHN c1cc(CN2CCC3(CN(Cc4ccncc4)C3)C2)cs1 ZINC000096046489 185071100 /nfs/dbraw/zinc/07/11/00/185071100.db2.gz CHSQVMPPRVUZLH-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN CC(=O)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096071586 185087301 /nfs/dbraw/zinc/08/73/01/185087301.db2.gz UHZOXPMPGXAUKE-OAHLLOKOSA-N 0 3 278.421 2.583 40 0 CFABHN CC(C)N1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 ZINC000096112230 185101123 /nfs/dbraw/zinc/10/11/23/185101123.db2.gz ZOTYBZXFKSMEQT-RISCZKNCSA-N 0 3 295.333 2.649 40 0 biogenic,in-vitro CFABHN Cc1cccc(CN2CCNC[C@H]2c2ccccc2)n1 ZINC000086177653 179247210 /nfs/dbraw/zinc/24/72/10/179247210.db2.gz MBGLJBSUOJALGA-KRWDZBQOSA-N 0 3 267.376 2.537 40 0 CFABHN C[C@H]1CCCN([C@H](CN)c2cc(F)ccc2F)C1 ZINC000108350014 347740488 /nfs/dbraw/zinc/74/04/88/347740488.db2.gz IVLWCLGNKWTENP-IINYFYTJSA-N 0 3 254.324 2.697 40 0 CFABHN CO[C@H]1CCCN(Cc2c[nH]cn2)[C@H]1Cc1ccccc1 ZINC000585273959 348738630 /nfs/dbraw/zinc/73/86/30/348738630.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 0 3 285.391 2.632 40 0 CFABHN CO[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1Cc1ccccc1 ZINC000585273959 348738633 /nfs/dbraw/zinc/73/86/33/348738633.db2.gz GZBMLQCBNVJKOF-IRXDYDNUSA-N 0 3 285.391 2.632 40 0 CFABHN CN(C)CC[C@H](C(=O)c1ccccc1)c1cccnc1 ZINC000002045643 371715172 /nfs/dbraw/zinc/71/51/72/371715172.db2.gz RGMASGQPVAQRAK-INIZCTEOSA-N 0 3 268.360 3.000 40 0 CFABHN COCCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001667129 371693451 /nfs/dbraw/zinc/69/34/51/371693451.db2.gz ACUVMRHAWWNSHA-SJORKVTESA-N 0 3 271.360 2.697 40 0 CFABHN CN1CCC(NC(=S)Nc2cccc(Cl)c2)CC1 ZINC000013775535 372049802 /nfs/dbraw/zinc/04/98/02/372049802.db2.gz RWAJWHDWDVQOFH-UHFFFAOYSA-N 0 3 283.828 2.721 40 0 CFABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccccc1Cl ZINC000019796132 372189800 /nfs/dbraw/zinc/18/98/00/372189800.db2.gz FXBQVCOUHWUKDC-LLVKDONJSA-N 0 3 270.760 2.865 40 0 CFABHN Cc1cc(C)c(C)c(OC[C@@H](O)CN2CCCCC2)c1 ZINC000026780539 372329563 /nfs/dbraw/zinc/32/95/63/372329563.db2.gz VHKKUCOTMUSOHW-INIZCTEOSA-N 0 3 277.408 2.837 40 0 CFABHN CN(C)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000027987011 372354895 /nfs/dbraw/zinc/35/48/95/372354895.db2.gz NXPZFVIQSJBNPW-UHFFFAOYSA-N 0 3 278.359 2.996 40 0 CFABHN COc1ccccc1CNCCC(=O)OC(C)(C)C ZINC000047218989 373083715 /nfs/dbraw/zinc/08/37/15/373083715.db2.gz LRCBELUGNMGXAP-UHFFFAOYSA-N 0 3 265.353 2.517 40 0 CFABHN CC(C)(C)c1nnc([C@H]2CCN(Cc3ccco3)C2)o1 ZINC000049170634 373274453 /nfs/dbraw/zinc/27/44/53/373274453.db2.gz JRAHKLFGADAOHA-NSHDSACASA-N 0 3 275.352 2.950 40 0 biogenic,in-vitro CFABHN Cc1cc(N2CCNCC2)nc(-c2ccc(Cl)cc2)n1 ZINC000058047092 373624980 /nfs/dbraw/zinc/62/49/80/373624980.db2.gz GNWMNECXJWBYKV-UHFFFAOYSA-N 0 3 288.782 2.515 40 0 CFABHN CC[C@@H](C)Oc1ccccc1CNCCCOC ZINC000066116244 373912277 /nfs/dbraw/zinc/91/22/77/373912277.db2.gz JYGPZPKUTKBRIE-CYBMUJFWSA-N 0 3 251.370 2.990 40 0 CFABHN Cc1ccc(NC(=O)C2CCN(C)CC2)cc1Cl ZINC000074713354 374435101 /nfs/dbraw/zinc/43/51/01/374435101.db2.gz HLQAZBBVXFSRSF-UHFFFAOYSA-N 0 3 266.772 2.929 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1cnc(Cl)s1)C(C)C ZINC000079422136 374609938 /nfs/dbraw/zinc/60/99/38/374609938.db2.gz SXFGUVMCILWOPT-JTQLQIEISA-N 0 3 289.832 2.517 40 0 CFABHN CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@H](C)N ZINC000079420277 374610442 /nfs/dbraw/zinc/61/04/42/374610442.db2.gz VSPPSOORWBJDNX-QMMMGPOBSA-N 0 3 275.179 2.689 40 0 CFABHN CN1C(=O)CCC[C@@]12CCCN(Cc1ccsc1)C2 ZINC000096049953 375469013 /nfs/dbraw/zinc/46/90/13/375469013.db2.gz BWZPCOZMITYSTL-HNNXBMFYSA-N 0 3 278.421 2.725 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096158725 375471851 /nfs/dbraw/zinc/47/18/51/375471851.db2.gz OEACUCNNOQVEQP-MRXNPFEDSA-N 0 3 293.382 2.986 40 0 CFABHN Cc1cccc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)n1 ZINC000096184719 375475352 /nfs/dbraw/zinc/47/53/52/375475352.db2.gz VGMMNRHFPGMNPO-SJORKVTESA-N 0 3 294.402 2.638 40 0 CFABHN CCO[C@@H]1CCN(Cc2ccco2)[C@@H]1Cc1cccnc1 ZINC000096200494 375476903 /nfs/dbraw/zinc/47/69/03/375476903.db2.gz VTDHNGUOAVFLLP-IAGOWNOFSA-N 0 3 286.375 2.897 40 0 CFABHN OC[C@H]1CCC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 ZINC000097233896 375543503 /nfs/dbraw/zinc/54/35/03/375543503.db2.gz BNFVVQYIFPBQFA-RYRKJORJSA-N 0 3 282.387 2.922 40 0 CFABHN Cc1nn(C2CCCC2)cc1CNC[C@H]1CCCO1 ZINC000256053432 190004929 /nfs/dbraw/zinc/00/49/29/190004929.db2.gz RLWNMCHMUJZYQR-OAHLLOKOSA-N 0 3 263.385 2.575 40 0 CFABHN COc1cccc(CCNCc2ccnn2C(C)C)c1 ZINC000256050241 190003085 /nfs/dbraw/zinc/00/30/85/190003085.db2.gz DGUGRDNLNSZIQI-UHFFFAOYSA-N 0 3 273.380 2.805 40 0 CFABHN CCCCc1ncc(CN2CCC(c3cnccn3)CC2)[nH]1 ZINC000257212713 190013360 /nfs/dbraw/zinc/01/33/60/190013360.db2.gz CEQSLFXUASSPJK-UHFFFAOYSA-N 0 3 299.422 2.922 40 0 CFABHN CNc1ncccc1CN1CCCC[C@H]1c1[nH]ncc1C ZINC000257220561 190014533 /nfs/dbraw/zinc/01/45/33/190014533.db2.gz DLFKMAZCSBXUIM-AWEZNQCLSA-N 0 3 285.395 2.882 40 0 CFABHN CCCn1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257269243 190023962 /nfs/dbraw/zinc/02/39/62/190023962.db2.gz MPEJTEHDYTZTTI-OAHLLOKOSA-N 0 3 287.411 2.704 40 0 CFABHN Cc1c(CN2CCC(Cc3ccncc3)CC2)cnn1C ZINC000257277002 190025797 /nfs/dbraw/zinc/02/57/97/190025797.db2.gz NWAXRIJJKIAYEV-UHFFFAOYSA-N 0 3 284.407 2.578 40 0 CFABHN c1cc(CC2CCN(Cc3ccncc3)CC2)ccn1 ZINC000257282731 190025916 /nfs/dbraw/zinc/02/59/16/190025916.db2.gz OVAZDFXMSFOETE-UHFFFAOYSA-N 0 3 267.376 2.931 40 0 CFABHN CC(C)[NH+]1CCC(c2cncc([N-]c3ncccn3)n2)CC1 ZINC000257292191 190027550 /nfs/dbraw/zinc/02/75/50/190027550.db2.gz QKKQBLQJJHPDGH-UHFFFAOYSA-N 0 3 298.394 2.598 40 0 CFABHN Cc1cnccc1CN1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000257273947 190024490 /nfs/dbraw/zinc/02/44/90/190024490.db2.gz NIXFBXGDHQRELT-MRXNPFEDSA-N 0 3 282.391 2.868 40 0 CFABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1ccncc1 ZINC000257294404 190028499 /nfs/dbraw/zinc/02/84/99/190028499.db2.gz QTZJCIRZJRYNSZ-AWEZNQCLSA-N 0 3 256.353 2.840 40 0 CFABHN c1[nH]nc2nc([C@H]3CCCN(Cc4ccccn4)C3)ccc12 ZINC000257302153 190030729 /nfs/dbraw/zinc/03/07/29/190030729.db2.gz SBSQGFXSLMGQPF-AWEZNQCLSA-N 0 3 293.374 2.733 40 0 CFABHN Cc1c[nH]c([C@H]2CCCN(Cc3cccc(C)n3)C2)n1 ZINC000257309648 190031143 /nfs/dbraw/zinc/03/11/43/190031143.db2.gz UBUSZNLIZONGIQ-AWEZNQCLSA-N 0 3 270.380 2.801 40 0 CFABHN COc1ccccc1[C@H]1CNCCN1Cc1cccc(C)n1 ZINC000257317791 190032811 /nfs/dbraw/zinc/03/28/11/190032811.db2.gz VLDOAPHCNDVCFO-QGZVFWFLSA-N 0 3 297.402 2.545 40 0 CFABHN Cc1cc(-c2nccnc2[C@H]2CCCN(C(C)C)C2)n[nH]1 ZINC000257319334 190033631 /nfs/dbraw/zinc/03/36/31/190033631.db2.gz VRXYLUFQQRUVGN-ZDUSSCGKSA-N 0 3 285.395 2.763 40 0 CFABHN Cc1csc(Nc2cc([C@@H]3CCN(C)C3)nc(C)n2)n1 ZINC000257326999 190034826 /nfs/dbraw/zinc/03/48/26/190034826.db2.gz WZLCPOKGAFQFCV-LLVKDONJSA-N 0 3 289.408 2.713 40 0 CFABHN c1cn(CC2CC2)c([C@@H]2CNCc3ccccc32)n1 ZINC000306130307 382452914 /nfs/dbraw/zinc/45/29/14/382452914.db2.gz JCAPAOAZKSWGMY-OAHLLOKOSA-N 0 3 253.349 2.528 40 0 CFABHN CCC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000225659238 382819727 /nfs/dbraw/zinc/81/97/27/382819727.db2.gz VMUBTCJZMDURSJ-UHFFFAOYSA-N 0 3 262.353 2.508 40 0 CFABHN Cc1ccc(CN(C)[C@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257259908 383494850 /nfs/dbraw/zinc/49/48/50/383494850.db2.gz LAQAGBCTFFFWSE-KRWDZBQOSA-N 0 3 296.418 2.886 40 0 CFABHN FC(F)(F)CCN1CCC(c2ccnc3ccnn32)CC1 ZINC000257285696 383494915 /nfs/dbraw/zinc/49/49/15/383494915.db2.gz PIIKLILKDDQOAC-UHFFFAOYSA-N 0 3 298.312 2.861 40 0 CFABHN CCN1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C ZINC000072219416 393646640 /nfs/dbraw/zinc/64/66/40/393646640.db2.gz XTGIIOZBZFHPLY-MRXNPFEDSA-N 0 3 289.423 2.774 40 0 CFABHN CC(C)N1CCC[C@@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377466 393650669 /nfs/dbraw/zinc/65/06/69/393650669.db2.gz KXORBZJHSKRQAL-CQSZACIVSA-N 0 3 284.367 2.556 40 0 CFABHN CCN1CCC[C@H](Nc2cncc(Br)c2)C1 ZINC000096510504 393834661 /nfs/dbraw/zinc/83/46/61/393834661.db2.gz NNCFNSURBYTISG-NSHDSACASA-N 0 3 284.201 2.740 40 0 CFABHN O=C1OC[C@@H]2CCN(CC3CC3)Cc3ccc(F)cc3N12 ZINC000225484798 393768862 /nfs/dbraw/zinc/76/88/62/393768862.db2.gz KOCHIDJGKSMNDH-AWEZNQCLSA-N 0 3 290.338 2.767 40 0 biogenic,in-vitro CFABHN COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096186023 393816931 /nfs/dbraw/zinc/81/69/31/393816931.db2.gz KFEBQGYCCOBMEM-UBHSHLNASA-N 0 3 267.394 2.516 40 0 CFABHN c1ccc(C[C@H]2CN(c3ccccc3)CCN2)cc1 ZINC000086125391 135039494 /nfs/dbraw/zinc/03/94/94/135039494.db2.gz WYALVWYXZVGLQQ-INIZCTEOSA-N 0 3 252.361 2.708 40 0 CFABHN CCOC(=O)c1c(C)nc(C)cc1CNc1ccncc1 ZINC000006206658 170182435 /nfs/dbraw/zinc/18/24/35/170182435.db2.gz MCIOMIJJYIJMIF-UHFFFAOYSA-N 0 3 285.347 2.882 40 0 CFABHN C[C@H](CN(C)C)OC(=O)Nc1ccc(Cl)cc1 ZINC000006491779 170205897 /nfs/dbraw/zinc/20/58/97/170205897.db2.gz BQHBCYWOGCHHRD-SECBINFHSA-N 0 3 256.733 2.839 40 0 CFABHN c1coc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000022579109 171392377 /nfs/dbraw/zinc/39/23/77/171392377.db2.gz CKUWIXAZFGOTHQ-SQWLQELKSA-N 0 3 260.381 2.586 40 0 CFABHN O=C(CNCC1CCCCC1)Nc1ccc2c(c1)OCO2 ZINC000035311490 172122181 /nfs/dbraw/zinc/12/21/81/172122181.db2.gz CUTWPWFICTUHGT-UHFFFAOYSA-N 0 3 290.363 2.524 40 0 CFABHN N=C(Nc1ccccc1)Nc1ccc2c(c1)OCO2 ZINC000040164026 174197072 /nfs/dbraw/zinc/19/70/72/174197072.db2.gz JZCXPTNDZIPJEF-UHFFFAOYSA-N 0 3 255.277 2.874 40 0 CFABHN CC[N@@H+]1CCC[C@H](c2csc([N-]c3cnccn3)n2)C1 ZINC000072363450 176378162 /nfs/dbraw/zinc/37/81/62/176378162.db2.gz HKDGTVXCPWRRDT-NSHDSACASA-N 0 3 289.408 2.876 40 0 CFABHN CC[N@H+]1CCC[C@H](c2csc([N-]c3cnccn3)n2)C1 ZINC000072363450 176378163 /nfs/dbraw/zinc/37/81/63/176378163.db2.gz HKDGTVXCPWRRDT-NSHDSACASA-N 0 3 289.408 2.876 40 0 CFABHN Cc1cnc(Nc2nccnc2[C@H]2CCCN(C)C2)s1 ZINC000072365546 176380690 /nfs/dbraw/zinc/38/06/90/176380690.db2.gz XPNKSKMQIZYVPZ-NSHDSACASA-N 0 3 289.408 2.794 40 0 CFABHN Cc1cc(-c2ccc(CO)cc2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072365264 176380742 /nfs/dbraw/zinc/38/07/42/176380742.db2.gz VVPXENVZLYOGFJ-MRXNPFEDSA-N 0 3 297.402 2.754 40 0 CFABHN Brc1ccc(-c2nc3c(o2)CNCC3)cc1 ZINC000044136970 275368834 /nfs/dbraw/zinc/36/88/34/275368834.db2.gz YRWMNCRLLVQVLS-UHFFFAOYSA-N 0 3 279.137 2.750 40 0 CFABHN COc1cccc(CN(C)C)c1[C@H](O)c1ccccc1 ZINC000001662369 295294682 /nfs/dbraw/zinc/29/46/82/295294682.db2.gz RMFTUFXYYPSWKO-QGZVFWFLSA-N 0 3 271.360 2.839 40 0 CFABHN CC(C)[C@H](N)c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534760 185008522 /nfs/dbraw/zinc/00/85/22/185008522.db2.gz QNXLXANOKTTXCC-JTQLQIEISA-N 0 3 250.733 2.781 40 0 CFABHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N3)[C@H]2CC)o1 ZINC000096045689 185071227 /nfs/dbraw/zinc/07/12/27/185071227.db2.gz PNONEQFZGDLNNP-WBVHZDCISA-N 0 3 290.407 2.865 40 0 CFABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccoc1)CC2 ZINC000096047491 185073032 /nfs/dbraw/zinc/07/30/32/185073032.db2.gz NLDOHLTXXWQTLG-INIZCTEOSA-N 0 3 276.380 2.647 40 0 CFABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@@H]2CN1c1ccccc1 ZINC000096053577 185074800 /nfs/dbraw/zinc/07/48/00/185074800.db2.gz GBXOLJUGJKBEIV-ZBFHGGJFSA-N 0 3 298.411 2.843 40 0 CFABHN CO[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccccc1 ZINC000096061577 185083383 /nfs/dbraw/zinc/08/33/83/185083383.db2.gz PGXVHXSBXLUDIQ-ZWKOTPCHSA-N 0 3 282.387 2.914 40 0 CFABHN CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC)[C@@H]2C1 ZINC000096083408 185093180 /nfs/dbraw/zinc/09/31/80/185093180.db2.gz RIUVUINPIUCPPW-SJLPKXTDSA-N 0 3 286.419 2.661 40 0 CFABHN CO[C@H]1CO[C@]2(C1)CCCN(Cc1cccs1)C2 ZINC000096107178 185099979 /nfs/dbraw/zinc/09/99/79/185099979.db2.gz JJUKSHBGSKSHIW-OCCSQVGLSA-N 0 3 267.394 2.518 40 0 CFABHN C[C@H]1CCCN([C@H](CN)c2cncc(Br)c2)C1 ZINC000110752537 347749778 /nfs/dbraw/zinc/74/97/78/347749778.db2.gz IGLNQGPKWSTJQT-GXFFZTMASA-N 0 3 298.228 2.576 40 0 CFABHN CN1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102349 348734113 /nfs/dbraw/zinc/73/41/13/348734113.db2.gz XVSVVIKJSOUOHH-GOSISDBHSA-N 0 3 295.386 2.545 40 0 CFABHN Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C)C[C@@H]32)o1 ZINC000585109714 348734253 /nfs/dbraw/zinc/73/42/53/348734253.db2.gz KTSCQMJINHRRSA-YQQAZPJKSA-N 0 3 296.370 2.718 40 0 CFABHN COCC[C@@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585103752 348734506 /nfs/dbraw/zinc/73/45/06/348734506.db2.gz ZUVRQLVJDOGZOM-CQSZACIVSA-N 0 3 279.380 2.687 40 0 CFABHN c1cncc(O[C@H]2CSC3(CN(C4CCCC4)C3)C2)c1 ZINC000585104668 348734658 /nfs/dbraw/zinc/73/46/58/348734658.db2.gz KTHWLESZDJUTIX-OAHLLOKOSA-N 0 3 290.432 2.963 40 0 CFABHN CC(C)N1CCC(c2cnc(Br)cn2)CC1 ZINC000205673009 539931778 /nfs/dbraw/zinc/93/17/78/539931778.db2.gz JOMGUUMBUPAVPI-UHFFFAOYSA-N 0 3 284.201 2.827 40 0 CFABHN CN(C)CC[C@@](O)(Cc1ccccc1)c1ccco1 ZINC000001705034 371700219 /nfs/dbraw/zinc/70/02/19/371700219.db2.gz WXKXEUZGIUCOTI-MRXNPFEDSA-N 0 3 259.349 2.662 40 0 CFABHN O[C@@H](CN[C@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718123 371701530 /nfs/dbraw/zinc/70/15/30/371701530.db2.gz MXUUOMBREIUEQT-YJBOKZPZSA-N 0 3 283.371 2.703 40 0 CFABHN Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@H]1CCCN(C)C1 ZINC000012183379 371948031 /nfs/dbraw/zinc/94/80/31/371948031.db2.gz CVMQGMMUYDENET-AWEZNQCLSA-N 0 3 299.418 2.538 40 0 CFABHN CCN(CC)C1=Nc2ccccc2-n2ccnc2C1 ZINC000013214820 372019915 /nfs/dbraw/zinc/01/99/15/372019915.db2.gz KXXPWIYUYZWVOO-UHFFFAOYSA-N 0 3 254.337 2.800 40 0 CFABHN Cc1ccc2cc(CNC3CCC3)c(=O)[nH]c2c1C ZINC000013998745 372056229 /nfs/dbraw/zinc/05/62/29/372056229.db2.gz XTULODBWZDLSDU-UHFFFAOYSA-N 0 3 256.349 2.787 40 0 CFABHN c1coc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1 ZINC000019359449 372156428 /nfs/dbraw/zinc/15/64/28/372156428.db2.gz CKUWIXAZFGOTHQ-LZWOXQAQSA-N 0 3 260.381 2.586 40 0 CFABHN CCC[NH2+]Cc1cc(Br)c([O-])c(OC)c1 ZINC000019472881 372167063 /nfs/dbraw/zinc/16/70/63/372167063.db2.gz IYKITCBQMWOBQN-UHFFFAOYSA-N 0 3 274.158 2.663 40 0 CFABHN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C ZINC000019499181 372169830 /nfs/dbraw/zinc/16/98/30/372169830.db2.gz XBNXTQMANNURMZ-BFYDXBDKSA-N 0 3 290.382 2.624 40 0 CFABHN OCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000020434944 372237014 /nfs/dbraw/zinc/23/70/14/372237014.db2.gz CCVYGUZLEYMHAW-UHFFFAOYSA-N 0 3 282.387 2.501 40 0 CFABHN CCCCOc1ccc(CNCCOC)cc1OC ZINC000032115603 372431534 /nfs/dbraw/zinc/43/15/34/372431534.db2.gz WEUPDENVVRMBOK-UHFFFAOYSA-N 0 3 267.369 2.610 40 0 CFABHN COC(=O)C[C@H](N)c1cccc(OCc2ccccc2)c1 ZINC000032500958 372441540 /nfs/dbraw/zinc/44/15/40/372441540.db2.gz YYTAWEKBLQTBNP-INIZCTEOSA-N 0 3 285.343 2.829 40 0 CFABHN CN1CCC(O)(c2ccc(C(F)(F)F)cc2)CC1 ZINC000034382046 372508880 /nfs/dbraw/zinc/50/88/80/372508880.db2.gz PMPITXZIQAUESQ-UHFFFAOYSA-N 0 3 259.271 2.619 40 0 CFABHN CN(C)[C@H](CN(C)c1ccnc(Cl)n1)c1ccccc1 ZINC000038579726 372776238 /nfs/dbraw/zinc/77/62/38/372776238.db2.gz ULIMMXBKAVZUBS-CYBMUJFWSA-N 0 3 290.798 2.869 40 0 CFABHN c1csc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894912 373574553 /nfs/dbraw/zinc/57/45/53/373574553.db2.gz BBZZPAYGUJCNOB-AWEZNQCLSA-N 0 3 258.390 2.895 40 0 CFABHN Cc1cc(Cl)cc2c(N3CCNCC3)ccnc12 ZINC000068136463 374021923 /nfs/dbraw/zinc/02/19/23/374021923.db2.gz DLHDHMFOYLPOLJ-UHFFFAOYSA-N 0 3 261.756 2.606 40 0 CFABHN CC(C)N(Cc1cccc(Cl)c1Cl)C(=O)CN ZINC000079420848 374609372 /nfs/dbraw/zinc/60/93/72/374609372.db2.gz SAUQJPNZFHMMIC-UHFFFAOYSA-N 0 3 275.179 2.689 40 0 CFABHN Cc1ccsc1CN(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079436456 374612222 /nfs/dbraw/zinc/61/22/22/374612222.db2.gz KQLQEZFJKNENNC-ZDUSSCGKSA-N 0 3 268.426 2.777 40 0 CFABHN CN1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000082325077 374735484 /nfs/dbraw/zinc/73/54/84/374735484.db2.gz GNZZSTFNVYIZFT-SECBINFHSA-N 0 3 270.735 2.759 40 0 CFABHN CN1CCC[C@@H](C(=O)Nc2ccccc2Br)C1 ZINC000082335785 374737456 /nfs/dbraw/zinc/73/74/56/374737456.db2.gz ATRJKBLUSWHVIT-SNVBAGLBSA-N 0 3 297.196 2.729 40 0 CFABHN c1coc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)c1 ZINC000096206316 375476613 /nfs/dbraw/zinc/47/66/13/375476613.db2.gz WDJLKGVIDAMMRJ-MRXNPFEDSA-N 0 3 291.391 2.830 40 0 CFABHN Cc1cccc(CN2CCC[C@@]3(CCN(CCF)C3)C2)n1 ZINC000096216240 375480373 /nfs/dbraw/zinc/48/03/73/375480373.db2.gz XIYQRFOJOZVEOT-KRWDZBQOSA-N 0 3 291.414 2.647 40 0 CFABHN Cc1nn(C2CCCC2)cc1CNC[C@@H]1CCCO1 ZINC000256053431 190004752 /nfs/dbraw/zinc/00/47/52/190004752.db2.gz RLWNMCHMUJZYQR-HNNXBMFYSA-N 0 3 263.385 2.575 40 0 CFABHN CCOCCCNCc1cnn(C2CCCC2)c1 ZINC000256053625 190005117 /nfs/dbraw/zinc/00/51/17/190005117.db2.gz SEDUQRHVLAXAIV-UHFFFAOYSA-N 0 3 251.374 2.514 40 0 CFABHN CNc1ncccc1CN1CCCC[C@@H]1c1[nH]ncc1C ZINC000257220562 190014483 /nfs/dbraw/zinc/01/44/83/190014483.db2.gz DLFKMAZCSBXUIM-CQSZACIVSA-N 0 3 285.395 2.882 40 0 CFABHN c1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257253447 190020533 /nfs/dbraw/zinc/02/05/33/190020533.db2.gz JYYONUDUALXNEX-OAHLLOKOSA-N 0 3 253.349 2.856 40 0 CFABHN Cc1c[nH]c([C@@H]2CCCN(Cc3ccnn3C(C)C)C2)n1 ZINC000257315701 190032706 /nfs/dbraw/zinc/03/27/06/190032706.db2.gz VCLQDCNLQORPCV-CQSZACIVSA-N 0 3 287.411 2.875 40 0 CFABHN CN(C)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)ccn1 ZINC000257336231 190036395 /nfs/dbraw/zinc/03/63/95/190036395.db2.gz YNPLMHUMYMLXTK-QGZVFWFLSA-N 0 3 296.418 2.922 40 0 CFABHN Cc1ccc(CN(C)[C@@H]2CCCN(c3ccccn3)C2)cn1 ZINC000257259909 383494621 /nfs/dbraw/zinc/49/46/21/383494621.db2.gz LAQAGBCTFFFWSE-QGZVFWFLSA-N 0 3 296.418 2.886 40 0 CFABHN Cc1ncc(-c2nccnc2[C@H]2CCCN(C(C)C)C2)n1C ZINC000257298571 383495337 /nfs/dbraw/zinc/49/53/37/383495337.db2.gz RMIBPNNTSWYKLT-AWEZNQCLSA-N 0 3 299.422 2.773 40 0 CFABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)C1CCCCC1 ZINC000008635815 393469167 /nfs/dbraw/zinc/46/91/67/393469167.db2.gz SDNOKPFTRLZZJR-CWRNSKLLSA-N 0 3 278.440 2.803 40 0 biogenic,in-vitro CFABHN CC(C)(C)NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038832326 393538941 /nfs/dbraw/zinc/53/89/41/393538941.db2.gz YWSXBENQSIQFNS-HNNXBMFYSA-N 0 3 274.408 2.813 40 0 CFABHN CC(C)N1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216183 393644941 /nfs/dbraw/zinc/64/49/41/393644941.db2.gz AHKZVUHZUXFBLF-INIZCTEOSA-N 0 3 289.423 2.854 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(F)cc2)C1 ZINC000083552561 393744533 /nfs/dbraw/zinc/74/45/33/393744533.db2.gz AOGFCANIWBCDTA-AWEZNQCLSA-N 0 3 294.370 2.925 40 0 CFABHN Cc1ccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000095534066 393813071 /nfs/dbraw/zinc/81/30/71/393813071.db2.gz NDWIXLRDUBYLKE-AWEZNQCLSA-N 0 3 282.322 2.967 40 0 CFABHN Cc1ccc(CN2CC[C@H]3[C@@H]2CCN3c2ncc(C)cn2)o1 ZINC000096038570 393814554 /nfs/dbraw/zinc/81/45/54/393814554.db2.gz IZMZZAPECJEEMO-HOTGVXAUSA-N 0 3 298.390 2.540 40 0 CFABHN CCOCC[C@@H]1Cn2cccc2CN(C2CCC2)C1 ZINC000585095598 395100087 /nfs/dbraw/zinc/10/00/87/395100087.db2.gz ZPILDNFUOMWSLP-CQSZACIVSA-N 0 3 262.397 2.899 40 0 CFABHN Cc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1 ZINC000009876124 170388560 /nfs/dbraw/zinc/38/85/60/170388560.db2.gz BZJXWFILOYBWAF-CYBMUJFWSA-N 0 3 277.437 2.623 40 0 CFABHN Cc1cc([C@H](N)CNC(=O)OC(C)(C)C)ccc1F ZINC000034781557 171866764 /nfs/dbraw/zinc/86/67/64/171866764.db2.gz RPMXTRFQCUSGND-GFCCVEGCSA-N 0 3 268.332 2.659 40 0 CFABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cnccn1 ZINC000035311235 172122154 /nfs/dbraw/zinc/12/21/54/172122154.db2.gz JPLYAFNFQPAYGT-UHFFFAOYSA-N 0 3 296.374 2.715 40 0 CFABHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092777 174107064 /nfs/dbraw/zinc/10/70/64/174107064.db2.gz SFFJIQODSLIJNI-CABZTGNLSA-N 0 3 254.761 2.501 40 0 CFABHN CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038832325 174156978 /nfs/dbraw/zinc/15/69/78/174156978.db2.gz YWSXBENQSIQFNS-OAHLLOKOSA-N 0 3 274.408 2.813 40 0 CFABHN CC1(C)NCCO[C@@H]1c1cccc(Br)c1 ZINC000071601290 176228254 /nfs/dbraw/zinc/22/82/54/176228254.db2.gz IRXZBENCDALEJM-LLVKDONJSA-N 0 3 270.170 2.889 40 0 CFABHN CC1(C)NCCO[C@H]1c1ccccc1Br ZINC000071601319 176228402 /nfs/dbraw/zinc/22/84/02/176228402.db2.gz KSXAIJANNQJAAW-NSHDSACASA-N 0 3 270.170 2.889 40 0 CFABHN NCc1cnc2ccc(OCC(F)(F)F)cc2c1 ZINC000072226732 176343157 /nfs/dbraw/zinc/34/31/57/176343157.db2.gz QQIWQOCIPVRAND-UHFFFAOYSA-N 0 3 256.227 2.635 40 0 CFABHN CN1CCC(c2cccc(Br)n2)CC1 ZINC000072343815 176371871 /nfs/dbraw/zinc/37/18/71/176371871.db2.gz HBOJNFXMGHTSCI-UHFFFAOYSA-N 0 3 255.159 2.653 40 0 CFABHN CCc1nccn1-c1cncc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072355531 176374779 /nfs/dbraw/zinc/37/47/79/176374779.db2.gz YBNNBJFEKAMTQC-AWEZNQCLSA-N 0 3 299.422 2.813 40 0 CFABHN c1cc(CN2CCC[C@H](c3cnccn3)C2)cs1 ZINC000072369368 176384396 /nfs/dbraw/zinc/38/43/96/176384396.db2.gz XESIHCYDBXUAQB-ZDUSSCGKSA-N 0 3 259.378 2.918 40 0 CFABHN c1csc(C[C@H]2CCN(Cc3ccccn3)C2)n1 ZINC000072381596 176387632 /nfs/dbraw/zinc/38/76/32/176387632.db2.gz NWDUODCQMOEIEX-GFCCVEGCSA-N 0 3 259.378 2.603 40 0 CFABHN Cc1cncc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072385023 176389510 /nfs/dbraw/zinc/38/95/10/176389510.db2.gz YTQOOMBGGXOPPO-OAHLLOKOSA-N 0 3 268.364 2.560 40 0 CFABHN Fc1cccc(CN2CCC[C@H](c3cnccn3)C2)c1 ZINC000072385353 176389963 /nfs/dbraw/zinc/38/99/63/176389963.db2.gz RDZQHGQUPUKDDD-AWEZNQCLSA-N 0 3 271.339 2.995 40 0 CFABHN Cc1c[nH]nc1[C@@]1(C)CCCN(Cc2cccnc2)C1 ZINC000072388726 176393773 /nfs/dbraw/zinc/39/37/73/176393773.db2.gz ZHWULGCUEDKVID-INIZCTEOSA-N 0 3 270.380 2.667 40 0 CFABHN COc1ccc2[nH]c(CN3CCC[C@H](CO)C3)c(C)c2c1 ZINC000072397810 176395444 /nfs/dbraw/zinc/39/54/44/176395444.db2.gz KKXAXFFGYJHZDY-ZDUSSCGKSA-N 0 3 288.391 2.689 40 0 CFABHN CCOc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074921017 176635797 /nfs/dbraw/zinc/63/57/97/176635797.db2.gz QZWNPCOPPRVEQO-UHFFFAOYSA-N 0 3 276.380 2.756 40 0 CFABHN CCCNc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717696 262302422 /nfs/dbraw/zinc/30/24/22/262302422.db2.gz XCCIPFFFEXNPAJ-UHFFFAOYSA-N 0 3 288.370 2.770 40 0 CFABHN CC(C)Nc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717622 262302439 /nfs/dbraw/zinc/30/24/39/262302439.db2.gz AVDRSZIFPBUSJU-UHFFFAOYSA-N 0 3 288.370 2.768 40 0 CFABHN CN1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000174384440 277024853 /nfs/dbraw/zinc/02/48/53/277024853.db2.gz UOSZKSAXUNGNTG-MRXNPFEDSA-N 0 3 272.392 2.522 40 0 CFABHN COc1ccc2c(c1O)[C@@]13CC=CC=C1[C@@H](C2)N(C)CC3 ZINC000038637538 295277679 /nfs/dbraw/zinc/27/76/79/295277679.db2.gz ONYKSPDQQPOMEU-RDTXWAMCSA-N 0 3 283.371 2.785 40 0 biogenic,in-vitro CFABHN Cn1cccc1CN1CCC[C@@H](c2nccs2)C1 ZINC000092788968 327195328 /nfs/dbraw/zinc/19/53/28/327195328.db2.gz KXIUVAFPFMPGDI-GFCCVEGCSA-N 0 3 261.394 2.861 40 0 CFABHN C[C@]1(CO)CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905402 525274871 /nfs/dbraw/zinc/27/48/71/525274871.db2.gz NEPDTEDKCCEHIC-QWHCGFSZSA-N 0 3 273.298 2.679 40 0 CFABHN CC(C)[C@H]([NH3+])c1nnc(COc2ccc(Cl)cc2)[n-]1 ZINC000095534700 185005898 /nfs/dbraw/zinc/00/58/98/185005898.db2.gz ZTOYTMGWVYRMMP-LBPRGKRZSA-N 0 3 280.759 2.693 40 0 CFABHN CC(C)[C@H]([NH3+])c1nc(COc2ccc(Cl)cc2)n[n-]1 ZINC000095534700 185005899 /nfs/dbraw/zinc/00/58/99/185005899.db2.gz ZTOYTMGWVYRMMP-LBPRGKRZSA-N 0 3 280.759 2.693 40 0 CFABHN CC(C)[C@@H](N)c1nc(-c2ccccc2Cl)n[nH]1 ZINC000095534761 185008095 /nfs/dbraw/zinc/00/80/95/185008095.db2.gz QNXLXANOKTTXCC-SNVBAGLBSA-N 0 3 250.733 2.781 40 0 CFABHN CO[C@@H]1COC2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000096106522 185098987 /nfs/dbraw/zinc/09/89/87/185098987.db2.gz LJDWJGANVVQYIX-ZDUSSCGKSA-N 0 3 281.421 2.826 40 0 CFABHN NC[C@@H](c1ccc(N2CCCCC2)o1)N1CCCCC1 ZINC000409437998 348602543 /nfs/dbraw/zinc/60/25/43/348602543.db2.gz BPBHEVOHIBDKKO-AWEZNQCLSA-N 0 3 277.412 2.756 40 0 CFABHN Cc1n[nH]c(C)c1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585275853 348738579 /nfs/dbraw/zinc/73/85/79/348738579.db2.gz FXJWRUHCSJZJCP-ROUUACIJSA-N 0 3 299.418 2.595 40 0 CFABHN Cc1ccc(C(=O)N2CCC[C@@]3(CCN3C)C2)c(C)c1 ZINC000585102378 348734652 /nfs/dbraw/zinc/73/46/52/348734652.db2.gz YPRZPJTVLCJTST-QGZVFWFLSA-N 0 3 272.392 2.614 40 0 CFABHN c1ccc(CO[C@H]2CSC3(CN(C4CCC4)C3)C2)nc1 ZINC000585105317 348734750 /nfs/dbraw/zinc/73/47/50/348734750.db2.gz SXOYVNLUELCKED-OAHLLOKOSA-N 0 3 290.432 2.711 40 0 CFABHN COc1cc(CN)c(NC(=O)OC(C)(C)C)cc1OC ZINC000090608810 180011908 /nfs/dbraw/zinc/01/19/08/180011908.db2.gz FIAMVENXIZRPPS-UHFFFAOYSA-N 0 3 282.340 2.510 40 0 CFABHN COCCNCc1cccn1Cc1ccccc1Cl ZINC000091002128 180084196 /nfs/dbraw/zinc/08/41/96/180084196.db2.gz OOERAMHVJSYZAQ-UHFFFAOYSA-N 0 3 278.783 2.926 40 0 CFABHN O=C1[C@@H]2CN(Cc3cccs3)C[C@@H]2CN1c1ccccc1 ZINC000107742839 186189061 /nfs/dbraw/zinc/18/90/61/186189061.db2.gz UDGWCHVTEADHMY-CZUORRHYSA-N 0 3 298.411 2.843 40 0 CFABHN O[C@@](Cc1ccccc1)(C1CCCCC1)[C@@H]1CNCCO1 ZINC000242687269 541005893 /nfs/dbraw/zinc/00/58/93/541005893.db2.gz UCXZRTLZAKLHBM-ROUUACIJSA-N 0 3 289.419 2.529 40 0 CFABHN CCOC(=O)[C@]1(c2ccccc2)CCCN(C)CC1 ZINC000000000268 371508335 /nfs/dbraw/zinc/50/83/35/371508335.db2.gz WGJHHMKQBWSQIY-MRXNPFEDSA-N 0 3 261.365 2.603 40 0 in-man CFABHN CCCCNCC(=O)Nc1c(C)cccc1Cl ZINC000001841441 371708143 /nfs/dbraw/zinc/70/81/43/371708143.db2.gz VWYQKFLLGRBICZ-UHFFFAOYSA-N 0 3 254.761 2.977 40 0 in-man CFABHN COc1ccc(C(=O)CCN2CCC(C)CC2)cc1 ZINC000001667184 371693922 /nfs/dbraw/zinc/69/39/22/371693922.db2.gz LXDWDPXABLVFKC-UHFFFAOYSA-N 0 3 261.365 3.000 40 0 CFABHN CN(C)CC[C@@H](C(=O)c1ccccc1)c1cccnc1 ZINC000001675609 371697421 /nfs/dbraw/zinc/69/74/21/371697421.db2.gz RGMASGQPVAQRAK-MRXNPFEDSA-N 0 3 268.360 3.000 40 0 CFABHN COc1ccc(CN(C)CCc2ccc(O)cc2)cc1O ZINC000001719378 371701498 /nfs/dbraw/zinc/70/14/98/371701498.db2.gz FHNYYRUKKWUYDN-UHFFFAOYSA-N 0 3 287.359 2.781 40 0 CFABHN CCCCN1C=Nc2ccc(NC(C)=O)c(N)c2C1 ZINC000001718148 371701711 /nfs/dbraw/zinc/70/17/11/371701711.db2.gz POSULNGIAZWQCT-UHFFFAOYSA-N 0 3 260.341 2.503 40 0 CFABHN CCN(CCC(=O)OC)Cc1ccnc2ccccc12 ZINC000001729568 371703270 /nfs/dbraw/zinc/70/32/70/371703270.db2.gz LRXIRERQQLRULJ-UHFFFAOYSA-N 0 3 272.348 2.620 40 0 CFABHN c1ccc([C@@H]2NCCc3cc4c(cc32)OCCO4)cc1 ZINC000011599082 371921319 /nfs/dbraw/zinc/92/13/19/371921319.db2.gz SMOKRLYMPVJFHB-KRWDZBQOSA-N 0 3 267.328 2.693 40 0 CFABHN COCc1ccc(CN2CC[C@@]3(O)CCCC[C@@H]3C2)o1 ZINC000013568222 372034452 /nfs/dbraw/zinc/03/44/52/372034452.db2.gz VNYDKHHKVGBFDB-CJNGLKHVSA-N 0 3 279.380 2.553 40 0 CFABHN CN1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013001341 372008984 /nfs/dbraw/zinc/00/89/84/372008984.db2.gz SPMSUZJBQHPBNH-UHFFFAOYSA-N 0 3 267.760 2.509 40 0 CFABHN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@H](N)C1 ZINC000019461417 372166815 /nfs/dbraw/zinc/16/68/15/372166815.db2.gz IGFKEKOGXPSIGS-GFCCVEGCSA-N 0 3 254.337 2.511 40 0 CFABHN CCn1nc(C)c(CN2CCC[C@@H](c3cnccn3)C2)c1C ZINC000019523830 372173958 /nfs/dbraw/zinc/17/39/58/372173958.db2.gz JPTODEVEJYTLKZ-OAHLLOKOSA-N 0 3 299.422 2.689 40 0 CFABHN COc1ccc(-c2nc3sccn3c2CN)cc1 ZINC000019767667 372183672 /nfs/dbraw/zinc/18/36/72/372183672.db2.gz XSLXUYDZXQPGHX-UHFFFAOYSA-N 0 3 259.334 2.530 40 0 CFABHN CC(C)COc1ccccc1CNC[C@@H]1CCCO1 ZINC000032113241 372428421 /nfs/dbraw/zinc/42/84/21/372428421.db2.gz BETPWKCOUJVJEL-HNNXBMFYSA-N 0 3 263.381 2.990 40 0 CFABHN CC(C)[C@H](N)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000057571378 373600585 /nfs/dbraw/zinc/60/05/85/373600585.db2.gz QISUGRCULPFATD-NSHDSACASA-N 0 3 275.179 2.593 40 0 CFABHN Clc1cc(Cl)c2c(c1)nccc2N1CCNCC1 ZINC000068136445 374022187 /nfs/dbraw/zinc/02/21/87/374022187.db2.gz VSOITDZZFFENKT-UHFFFAOYSA-N 0 3 282.174 2.951 40 0 CFABHN NCc1cc(Br)ccc1Br ZINC000069626602 374081187 /nfs/dbraw/zinc/08/11/87/374081187.db2.gz HUNQPBCFWHODKV-UHFFFAOYSA-N 0 3 264.948 2.670 40 0 CFABHN O[C@@H]([C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000071790108 374225679 /nfs/dbraw/zinc/22/56/79/374225679.db2.gz LPHOHFFMCAPPFF-STQMWFEESA-N 0 3 273.298 2.822 40 0 CFABHN CCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@H](C)N ZINC000079420271 374610804 /nfs/dbraw/zinc/61/08/04/374610804.db2.gz NVALDTMPIVASHW-QMMMGPOBSA-N 0 3 275.179 2.689 40 0 CFABHN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(C)C1 ZINC000082325396 374736228 /nfs/dbraw/zinc/73/62/28/374736228.db2.gz GLQJLRBLJYULNM-JTQLQIEISA-N 0 3 282.771 2.629 40 0 CFABHN COC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccc(C)s2)O1 ZINC000096186608 375475496 /nfs/dbraw/zinc/47/54/96/375475496.db2.gz OCNLNIAPHBZFQU-SNPRPXQTSA-N 0 3 281.421 2.825 40 0 CFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ccc(C)nn2)o1 ZINC000096184857 375475778 /nfs/dbraw/zinc/47/57/78/375475778.db2.gz GXKDPDWGDDULGL-CVEARBPZSA-N 0 3 298.390 2.540 40 0 CFABHN COC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000096186604 375476010 /nfs/dbraw/zinc/47/60/10/375476010.db2.gz OFLQFFJBUBYVTJ-RDBSUJKOSA-N 0 3 267.394 2.516 40 0 CFABHN c1cnc2c(c1)CN(CC1CC1)CCN2Cc1ccncc1 ZINC000096198978 375477422 /nfs/dbraw/zinc/47/74/22/375477422.db2.gz TWKBAZQXMSQQPM-UHFFFAOYSA-N 0 3 294.402 2.709 40 0 CFABHN CN1CC2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096202813 375477508 /nfs/dbraw/zinc/47/75/08/375477508.db2.gz MVLWFMIGXMRZQT-UHFFFAOYSA-N 0 3 296.773 2.533 40 0 CFABHN CCOc1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096255596 375482289 /nfs/dbraw/zinc/48/22/89/375482289.db2.gz HXKGIKXEPHCYKA-UHFFFAOYSA-N 0 3 289.404 2.538 40 0 CFABHN CN1CCCN(c2c(O)ccc3ccccc32)CC1 ZINC000096305908 375483511 /nfs/dbraw/zinc/48/35/11/375483511.db2.gz INRXJVLWWVOKGJ-UHFFFAOYSA-N 0 3 256.349 2.687 40 0 CFABHN FC(F)(F)Cn1nccc1CNCCc1ccccc1 ZINC000256050879 190003195 /nfs/dbraw/zinc/00/31/95/190003195.db2.gz GVUZTMLDADUCCW-UHFFFAOYSA-N 0 3 283.297 2.778 40 0 CFABHN Cc1ccnc([C@@H]2CCN(Cc3cccc(F)c3)C2)n1 ZINC000257203019 190010711 /nfs/dbraw/zinc/01/07/11/190010711.db2.gz AOHXIVFVDRFJPB-CQSZACIVSA-N 0 3 271.339 2.914 40 0 CFABHN Cc1ccc(CN2CCC[C@H](c3ccnc(C)n3)C2)cn1 ZINC000257216942 190013959 /nfs/dbraw/zinc/01/39/59/190013959.db2.gz CWTZHUWDCALIRP-INIZCTEOSA-N 0 3 282.391 2.868 40 0 CFABHN CC(C)n1nccc1-c1nccnc1[C@H]1CCCN1C ZINC000257224170 190015348 /nfs/dbraw/zinc/01/53/48/190015348.db2.gz FAOPNKFXWXKARP-GFCCVEGCSA-N 0 3 271.368 2.688 40 0 CFABHN Cc1cc(-c2cc[nH]n2)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000257226965 190015549 /nfs/dbraw/zinc/01/55/49/190015549.db2.gz FNAIKZYVQNADBL-ZDUSSCGKSA-N 0 3 285.395 2.763 40 0 CFABHN Cc1cc(CC[C@@H]2CCCN2Cc2cnn(C)c2)ccn1 ZINC000257231014 190016503 /nfs/dbraw/zinc/01/65/03/190016503.db2.gz GEVARSUDPCKPCU-KRWDZBQOSA-N 0 3 284.407 2.721 40 0 CFABHN c1csc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)c1 ZINC000257234790 190016684 /nfs/dbraw/zinc/01/66/84/190016684.db2.gz GVCSGCRSWJWDGF-LBPRGKRZSA-N 0 3 261.394 2.926 40 0 CFABHN Cc1nc(Nc2ccccn2)cc([C@H]2CCCCN2)n1 ZINC000257223462 190014491 /nfs/dbraw/zinc/01/44/91/190014491.db2.gz DXLUMQSAZHIDRK-GFCCVEGCSA-N 0 3 269.352 2.738 40 0 CFABHN CCn1nccc1-c1cccc([C@@H]2CCCN2C)n1 ZINC000257306681 190031197 /nfs/dbraw/zinc/03/11/97/190031197.db2.gz SVIOFEPBJGGFIJ-AWEZNQCLSA-N 0 3 256.353 2.732 40 0 CFABHN Nc1cc(CC[C@@H]2CN(C3CCCCC3)CCO2)ccn1 ZINC000257329841 190034961 /nfs/dbraw/zinc/03/49/61/190034961.db2.gz XLTHCFFBDKKGCX-MRXNPFEDSA-N 0 3 289.423 2.630 40 0 CFABHN Cc1ccnc([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000257332929 190035659 /nfs/dbraw/zinc/03/56/59/190035659.db2.gz XZJHOSBOVYFPJO-OAHLLOKOSA-N 0 3 253.349 2.775 40 0 CFABHN CCn1cc(CN2CCC[C@H](c3ccnc(C)n3)C2)c(C)n1 ZINC000257334494 190036075 /nfs/dbraw/zinc/03/60/75/190036075.db2.gz YGEUNEUSAQGTJD-HNNXBMFYSA-N 0 3 299.422 2.689 40 0 CFABHN c1csc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000130321158 377536487 /nfs/dbraw/zinc/53/64/87/377536487.db2.gz ZBPCAFGMNMXGIZ-ZDUSSCGKSA-N 0 3 259.378 2.918 40 0 CFABHN CN(C)CCOc1ccc(NC(=O)C2(C)CCCC2)cn1 ZINC000225946215 382824006 /nfs/dbraw/zinc/82/40/06/382824006.db2.gz WFCQFIPSSDDNBO-UHFFFAOYSA-N 0 3 291.395 2.541 40 0 CFABHN CC(C)(N)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000236787527 382917865 /nfs/dbraw/zinc/91/78/65/382917865.db2.gz CQXGZPHPXDTGLO-UHFFFAOYSA-N 0 3 282.387 2.672 40 0 CFABHN c1cc(CO[C@H]2CSC3(CN(CC4CC4)C3)C2)ccn1 ZINC000253590610 383464138 /nfs/dbraw/zinc/46/41/38/383464138.db2.gz CJWBNEKEUNTDGZ-OAHLLOKOSA-N 0 3 290.432 2.568 40 0 CFABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(C)C)C[C@@H]12 ZINC000096251844 256834363 /nfs/dbraw/zinc/83/43/63/256834363.db2.gz NPAMZSABRLNJPF-QZTJIDSGSA-N 0 3 286.419 2.659 40 0 CFABHN C[C@@H](NC(=O)[C@@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000019806840 393483234 /nfs/dbraw/zinc/48/32/34/393483234.db2.gz YBIMVCRJKAICAR-LIFKJRKOSA-N 0 3 290.451 2.850 40 0 CFABHN CC(C)(C)N(Cc1ccccc1)C(=O)CNC1CC1 ZINC000064875568 393631637 /nfs/dbraw/zinc/63/16/37/393631637.db2.gz JASDUQBDCFUSGG-UHFFFAOYSA-N 0 3 260.381 2.566 40 0 CFABHN CCCCN1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216228 393644925 /nfs/dbraw/zinc/64/49/25/393644925.db2.gz GGZJFEUWMFNSKO-INIZCTEOSA-N 0 3 289.423 2.855 40 0 CFABHN Cc1ccc(N2CCN(C3CN(C(C)(C)C)C3)CC2)cc1 ZINC000087492704 135050386 /nfs/dbraw/zinc/05/03/86/135050386.db2.gz OMZHGUWPAKDAAU-UHFFFAOYSA-N 0 3 287.451 2.600 40 0 CFABHN COC(=O)C[C@@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000006482276 170205137 /nfs/dbraw/zinc/20/51/37/170205137.db2.gz GBDXJARTMOJPFP-ZDUSSCGKSA-N 0 3 291.347 2.505 40 0 CFABHN C[C@H](CN(C)C)OC(=O)Nc1ccccc1Cl ZINC000006491781 170205872 /nfs/dbraw/zinc/20/58/72/170205872.db2.gz HMQWDSFEKJXYAJ-SECBINFHSA-N 0 3 256.733 2.839 40 0 CFABHN COc1ccccc1[C@H]1NCC[C@@]2(O)CCCC[C@@H]12 ZINC000006849367 170248668 /nfs/dbraw/zinc/24/86/68/170248668.db2.gz DWFHSNCUMBKUCN-IMJJTQAJSA-N 0 3 261.365 2.651 40 0 CFABHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406966 170335453 /nfs/dbraw/zinc/33/54/53/170335453.db2.gz RNEQQIJSHKHNLC-QGZVFWFLSA-N 0 3 298.361 2.830 40 0 CFABHN CN(Cc1ccccc1)C[C@@H](O)c1cccc(O)c1 ZINC000044136062 175146132 /nfs/dbraw/zinc/14/61/32/175146132.db2.gz JBBZPOHBHNEKIM-MRXNPFEDSA-N 0 3 257.333 2.558 40 0 in-vitro CFABHN Cc1cc(N(C)C)cc([C@@H]2CCCN2c2cnccn2)n1 ZINC000072356653 176375822 /nfs/dbraw/zinc/37/58/22/176375822.db2.gz KHKBTCZZHQIBMG-HNNXBMFYSA-N 0 3 283.379 2.588 40 0 CFABHN CNc1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072363781 176378014 /nfs/dbraw/zinc/37/80/14/176378014.db2.gz YEQJEYGTOLJTHC-OAHLLOKOSA-N 0 3 282.391 2.898 40 0 CFABHN CN1CCC(c2cccc(NCc3ccncc3)n2)CC1 ZINC000072364978 176379890 /nfs/dbraw/zinc/37/98/90/176379890.db2.gz NWGRHNQKRNAPEF-UHFFFAOYSA-N 0 3 282.391 2.898 40 0 CFABHN CN1CCC[C@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365282 176380333 /nfs/dbraw/zinc/38/03/33/176380333.db2.gz DHYGYCCMGMQLCM-HNNXBMFYSA-N 0 3 296.374 2.691 40 0 CFABHN Cc1nccn1-c1ccc([C@H]2CCCCN2C)cn1 ZINC000072386494 176391413 /nfs/dbraw/zinc/39/14/13/176391413.db2.gz AOVOIKQOBAUPQO-CQSZACIVSA-N 0 3 256.353 2.733 40 0 CFABHN C[C@@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000074920912 176635603 /nfs/dbraw/zinc/63/56/03/176635603.db2.gz FRMPCDRPTUVJCH-CYBMUJFWSA-N 0 3 260.381 2.596 40 0 CFABHN Cc1ccc(Cl)c2c(N3CCNCC3)ccnc12 ZINC000068136460 274744458 /nfs/dbraw/zinc/74/44/58/274744458.db2.gz WHAAMNKXYVJCGL-UHFFFAOYSA-N 0 3 261.756 2.606 40 0 CFABHN COc1ccc(N2N=C(N)C[C@H]2c2ccccc2)cc1 ZINC000039384973 277909652 /nfs/dbraw/zinc/90/96/52/277909652.db2.gz DZESEKOIZAUVIB-HNNXBMFYSA-N 0 3 267.332 2.919 40 0 CFABHN NC[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000038809006 303393894 /nfs/dbraw/zinc/39/38/94/303393894.db2.gz FOXHYRKAFYMFEP-LBPRGKRZSA-N 0 3 256.752 2.965 40 0 CFABHN Cc1cc(C)nc(NCCNCc2cccc(Cl)c2)n1 ZINC000062717865 333176071 /nfs/dbraw/zinc/17/60/71/333176071.db2.gz DJVSNBYAANJRHK-UHFFFAOYSA-N 0 3 290.798 2.949 40 0 CFABHN C[C@@H]1CN(Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906499 525013981 /nfs/dbraw/zinc/01/39/81/525013981.db2.gz YRQQNNUMEBZONG-YPMHNXCESA-N 0 3 273.298 2.679 40 0 CFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000095533751 185006103 /nfs/dbraw/zinc/00/61/03/185006103.db2.gz DZJXCBMAWADBDB-CQSZACIVSA-N 0 3 280.331 2.528 40 0 CFABHN Cc1ccccc1-c1nc([C@H](N)c2ccccc2)n[nH]1 ZINC000095533446 185006798 /nfs/dbraw/zinc/00/67/98/185006798.db2.gz HTDPYUWGNHCLIS-CQSZACIVSA-N 0 3 264.332 2.828 40 0 CFABHN Cc1ccc([C@H](N)c2nc(COc3ccccc3)n[nH]2)cc1 ZINC000095534074 185007677 /nfs/dbraw/zinc/00/76/77/185007677.db2.gz STIDPWDKSOBSKL-INIZCTEOSA-N 0 3 294.358 2.740 40 0 CFABHN CCN1CCOC[C@@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049590 185072999 /nfs/dbraw/zinc/07/29/99/185072999.db2.gz FYXTXTIEKNVLCG-INIZCTEOSA-N 0 3 294.464 2.682 40 0 CFABHN c1ncc(CN2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072145 185087599 /nfs/dbraw/zinc/08/75/99/185087599.db2.gz QPFYVCWUWTUOQR-RDJZCZTQSA-N 0 3 283.375 2.558 40 0 CFABHN CC(C)CS(=O)(=O)c1ccc(CN)c2ccccc21 ZINC000085390843 179047635 /nfs/dbraw/zinc/04/76/35/179047635.db2.gz RYCKIMGHRWFZHQ-UHFFFAOYSA-N 0 3 277.389 2.728 40 0 CFABHN Cc1cccc2cc(CN[C@H]3CCCC[C@@H]3O)c(=O)[nH]c12 ZINC000585292923 348738936 /nfs/dbraw/zinc/73/89/36/348738936.db2.gz PTCKBNPSSWYYKI-GJZGRUSLSA-N 0 3 286.375 2.642 40 0 CFABHN Fc1cccnc1O[C@@H]1CSC2(CN(C3CCC3)C2)C1 ZINC000247556138 283032420 /nfs/dbraw/zinc/03/24/20/283032420.db2.gz XKYNEQANERQLOM-LBPRGKRZSA-N 0 3 294.395 2.712 40 0 CFABHN CN1CC[C@@](O)(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000004791875 283101186 /nfs/dbraw/zinc/10/11/86/283101186.db2.gz CHRSBWPLDAJHHB-ZWKOTPCHSA-N 0 3 267.372 2.994 40 0 CFABHN CN1CC[C@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700910 283158670 /nfs/dbraw/zinc/15/86/70/283158670.db2.gz NDJFIWYEZXIUMO-YTQUADARSA-N 0 3 279.383 2.971 40 0 CFABHN COc1cc2c(cc1OC)[C@H](c1ccccc1)CNC2 ZINC000002513789 371731818 /nfs/dbraw/zinc/73/18/18/371731818.db2.gz VNEDJZCVRIKACP-HNNXBMFYSA-N 0 3 269.344 2.939 40 0 CFABHN O[C@H](CN1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000001565062 371681719 /nfs/dbraw/zinc/68/17/19/371681719.db2.gz LWJVXOXWJLSVQO-OAHLLOKOSA-N 0 3 272.348 2.861 40 0 CFABHN COc1ccccc1[C@H]1NCC[C@@]2(O)CCCC[C@H]12 ZINC000004012340 371827770 /nfs/dbraw/zinc/82/77/70/371827770.db2.gz DWFHSNCUMBKUCN-BMFZPTHFSA-N 0 3 261.365 2.651 40 0 CFABHN O=C(NCCNCc1cccc2ccccc21)c1ccco1 ZINC000004498130 371859218 /nfs/dbraw/zinc/85/92/18/371859218.db2.gz AWQZDVBXNYSEOX-UHFFFAOYSA-N 0 3 294.354 2.952 40 0 CFABHN N[C@@H](c1ccncc1)c1ccc(Br)cc1 ZINC000011737341 371927520 /nfs/dbraw/zinc/92/75/20/371927520.db2.gz IBQJLEZOJQAQTL-GFCCVEGCSA-N 0 3 263.138 2.892 40 0 CFABHN N=C1SCCN1CC(=O)c1ccc(Br)cc1 ZINC000012428985 371962309 /nfs/dbraw/zinc/96/23/09/371962309.db2.gz BSVWWBBNSZUPTA-UHFFFAOYSA-N 0 3 299.193 2.615 40 0 CFABHN CCN(CC)[C@@H](CN)c1ccccc1OC(F)(F)F ZINC000019255086 372152071 /nfs/dbraw/zinc/15/20/71/372152071.db2.gz ALGYGDZFSQOXAW-NSHDSACASA-N 0 3 276.302 2.927 40 0 CFABHN CCN(CC)[C@@H](CN)c1ccccc1Br ZINC000019511752 372172390 /nfs/dbraw/zinc/17/23/90/372172390.db2.gz NMNMDAISTBJLOG-LBPRGKRZSA-N 0 3 271.202 2.791 40 0 CFABHN Cc1[nH]c2c(cccc2C(=O)N[C@H]2CCCN(C)C2)c1C ZINC000019576942 372176474 /nfs/dbraw/zinc/17/64/74/372176474.db2.gz HZOOJDRVLXLVBZ-ZDUSSCGKSA-N 0 3 285.391 2.609 40 0 CFABHN CN(C)[C@@H](CN(C)c1ccnc(Cl)n1)c1ccccc1 ZINC000038579725 372774937 /nfs/dbraw/zinc/77/49/37/372774937.db2.gz ULIMMXBKAVZUBS-ZDUSSCGKSA-N 0 3 290.798 2.869 40 0 CFABHN N[C@@H](CNC(=O)OCc1ccccc1)c1ccccc1 ZINC000051971837 373422956 /nfs/dbraw/zinc/42/29/56/373422956.db2.gz PRGWXRXVMOOPKN-HNNXBMFYSA-N 0 3 270.332 2.613 40 0 CFABHN COc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894892 373573509 /nfs/dbraw/zinc/57/35/09/373573509.db2.gz JHMOTEPUZBNHLR-SFHVURJKSA-N 0 3 282.387 2.842 40 0 CFABHN Fc1cccc([C@@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894956 373574908 /nfs/dbraw/zinc/57/49/08/373574908.db2.gz HIHFSVKKVHQRQF-KRWDZBQOSA-N 0 3 270.351 2.972 40 0 CFABHN CN1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000082324491 374736047 /nfs/dbraw/zinc/73/60/47/374736047.db2.gz INEYVXLBCQBXJP-SNVBAGLBSA-N 0 3 252.745 2.620 40 0 CFABHN NCc1scc(Br)c1Br ZINC000085394482 374801847 /nfs/dbraw/zinc/80/18/47/374801847.db2.gz YPAVCOZPUQUNJR-UHFFFAOYSA-N 0 3 270.977 2.732 40 0 CFABHN CO[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1 ZINC000096200294 375476998 /nfs/dbraw/zinc/47/69/98/375476998.db2.gz PWNJBGLCXNCAIQ-JKSUJKDBSA-N 0 3 288.416 2.975 40 0 CFABHN c1cc(CN2CCC3(C[C@@H](OCC4CC4)CO3)CC2)co1 ZINC000096208997 375477015 /nfs/dbraw/zinc/47/70/15/375477015.db2.gz RYEKQACXHRIAGI-MRXNPFEDSA-N 0 3 291.391 2.830 40 0 CFABHN CC(C)CC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202763 375477661 /nfs/dbraw/zinc/47/76/61/375477661.db2.gz PRPZCXRTGYZUQN-UHFFFAOYSA-N 0 3 292.448 2.829 40 0 CFABHN CC(C)CN1CC2(CCN(Cc3cccs3)CC2)C1=O ZINC000096202815 375478229 /nfs/dbraw/zinc/47/82/29/375478229.db2.gz GCVHINSABHEZNJ-UHFFFAOYSA-N 0 3 292.448 2.829 40 0 CFABHN Cc1cccc(CN2CCC[C@]3(CCN(CCF)C3)C2)n1 ZINC000096216238 375480117 /nfs/dbraw/zinc/48/01/17/375480117.db2.gz XIYQRFOJOZVEOT-QGZVFWFLSA-N 0 3 291.414 2.647 40 0 CFABHN CO[C@@H]1CCC[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096248983 375482362 /nfs/dbraw/zinc/48/23/62/375482362.db2.gz IPVZHLADOWXSLU-KWCYVHTRSA-N 0 3 266.410 2.698 40 0 CFABHN COc1ccc2c(c1O)[C@]13CC=CC=C1[C@H](C2)N(C)CC3 ZINC000096316331 375485371 /nfs/dbraw/zinc/48/53/71/375485371.db2.gz ONYKSPDQQPOMEU-KSSFIOAISA-N 0 3 283.371 2.785 40 0 biogenic,in-vitro CFABHN CCn1ncc(C)c1CNCCc1cccc(OC)c1 ZINC000256050662 190003206 /nfs/dbraw/zinc/00/32/06/190003206.db2.gz GBAPFOMYQXZRSO-UHFFFAOYSA-N 0 3 273.380 2.552 40 0 CFABHN O[C@H]1CN(Cc2cc3ccccc3o2)CC[C@@]12CCCO2 ZINC000257200010 190011077 /nfs/dbraw/zinc/01/10/77/190011077.db2.gz ABQAAHQYKQNFJU-IRXDYDNUSA-N 0 3 287.359 2.549 40 0 CFABHN Cc1nccc([C@H]2CCCN(Cc3cccn3C)C2)n1 ZINC000257232139 190017254 /nfs/dbraw/zinc/01/72/54/190017254.db2.gz GJOROFOYIPWOBK-AWEZNQCLSA-N 0 3 270.380 2.503 40 0 CFABHN Cc1ncc2cc(C)nc([C@@H]3CCCN(C(C)C)C3)n21 ZINC000257248506 190020131 /nfs/dbraw/zinc/02/01/31/190020131.db2.gz JDYFNCCPPVYCIQ-CQSZACIVSA-N 0 3 272.396 2.934 40 0 CFABHN CCn1cc(CN2CCC[C@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257261821 190022310 /nfs/dbraw/zinc/02/23/10/190022310.db2.gz LIXRIXBXYTVJBY-AWEZNQCLSA-N 0 3 287.411 2.623 40 0 CFABHN CCc1nccn1-c1ccnc([C@@H]2CCCN(C)C2)c1 ZINC000257279464 190025433 /nfs/dbraw/zinc/02/54/33/190025433.db2.gz OGTZMKWMMWYSOL-CYBMUJFWSA-N 0 3 270.380 2.639 40 0 CFABHN CO[C@H]1CN(Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257286364 190027233 /nfs/dbraw/zinc/02/72/33/190027233.db2.gz PLHCRGCRBJWGFM-WMZOPIPTSA-N 0 3 298.386 2.615 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@H](Cc2cccnc2)C1 ZINC000257298119 190029832 /nfs/dbraw/zinc/02/98/32/190029832.db2.gz RKFRCMGKDQJCFP-QGZVFWFLSA-N 0 3 298.434 2.887 40 0 CFABHN c1ccc(CN2CCOC[C@@H](Cc3ccccn3)C2)cc1 ZINC000257326844 190035206 /nfs/dbraw/zinc/03/52/06/190035206.db2.gz WYVIEYPVWTXGPD-KRWDZBQOSA-N 0 3 282.387 2.773 40 0 CFABHN c1csc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000130321367 377539344 /nfs/dbraw/zinc/53/93/44/377539344.db2.gz ZBPCAFGMNMXGIZ-CYBMUJFWSA-N 0 3 259.378 2.918 40 0 CFABHN Cc1ccc(SCCNC(=O)C2CCN(C)CC2)cc1 ZINC000174639354 379922782 /nfs/dbraw/zinc/92/27/82/379922782.db2.gz VPOAKDMQSBICJH-UHFFFAOYSA-N 0 3 292.448 2.545 40 0 CFABHN CCN(CC)[C@H](CN)c1ccccc1Br ZINC000019511754 284811155 /nfs/dbraw/zinc/81/11/55/284811155.db2.gz NMNMDAISTBJLOG-GFCCVEGCSA-N 0 3 271.202 2.791 40 0 CFABHN Cc1cccc(N2CC[C@@H]3[C@H]2CCN3Cc2ccccn2)n1 ZINC000306140903 382452778 /nfs/dbraw/zinc/45/27/78/382452778.db2.gz VGMMNRHFPGMNPO-IAGOWNOFSA-N 0 3 294.402 2.638 40 0 CFABHN COCCNCc1cccn1-c1ccc(C)cc1C ZINC000223681125 382806418 /nfs/dbraw/zinc/80/64/18/382806418.db2.gz NUMRSHZGMSOKEB-UHFFFAOYSA-N 0 3 258.365 2.830 40 0 CFABHN COc1cccc(CCNCc2cnn(C(C)C)c2)c1 ZINC000226241263 382825353 /nfs/dbraw/zinc/82/53/53/382825353.db2.gz CIUBJSNYNRFJGG-UHFFFAOYSA-N 0 3 273.380 2.805 40 0 CFABHN CN1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 ZINC000257281847 383494260 /nfs/dbraw/zinc/49/42/60/383494260.db2.gz ORFMKASUUHOQDX-UHFFFAOYSA-N 0 3 284.285 2.557 40 0 CFABHN Cc1cccc(CN2C(=O)CCC23CCN(C)CC3)c1 ZINC000096228250 256828317 /nfs/dbraw/zinc/82/83/17/256828317.db2.gz KVRVOOJVGLKJIU-UHFFFAOYSA-N 0 3 272.392 2.582 40 0 CFABHN CCN(C)c1ncc([C@@H](N)c2ccccc2)cc1C ZINC000072222209 393646285 /nfs/dbraw/zinc/64/62/85/393646285.db2.gz RHLUQTBIGPUKAT-HNNXBMFYSA-N 0 3 255.365 2.894 40 0 CFABHN CCN(CC)c1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225267 393647502 /nfs/dbraw/zinc/64/75/02/393647502.db2.gz UNOYQJOXIMRGOG-INIZCTEOSA-N 0 3 255.365 2.976 40 0 CFABHN Cc1cc(Nc2cccc([C@H]3CCCN3C)n2)no1 ZINC000072375108 393650442 /nfs/dbraw/zinc/65/04/42/393650442.db2.gz OMGDVPIBTNRZKP-GFCCVEGCSA-N 0 3 258.325 2.888 40 0 CFABHN c1ccc(C[C@@H]2CN(c3ccccc3)CCN2)cc1 ZINC000086125390 135039400 /nfs/dbraw/zinc/03/94/00/135039400.db2.gz WYALVWYXZVGLQQ-MRXNPFEDSA-N 0 3 252.361 2.708 40 0 CFABHN Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(C)C)C2 ZINC000225488104 292335785 /nfs/dbraw/zinc/33/57/85/292335785.db2.gz WUXSRLIUHBFSOE-AWEZNQCLSA-N 0 3 274.364 2.934 40 0 biogenic,in-vitro CFABHN N[C@]1(c2ccccc2)CON=C(c2ccccc2)C1 ZINC000005640209 170122910 /nfs/dbraw/zinc/12/29/10/170122910.db2.gz VPZLBDBUTFWVGR-INIZCTEOSA-N 0 3 252.317 2.665 40 0 CFABHN O=Cc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[O-] ZINC000005943971 170160468 /nfs/dbraw/zinc/16/04/68/170160468.db2.gz ZHLARUGYDIKKSN-GOEBONIOSA-N 0 3 289.375 2.848 40 0 CFABHN O=Cc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1[O-] ZINC000005943971 170160470 /nfs/dbraw/zinc/16/04/70/170160470.db2.gz ZHLARUGYDIKKSN-GOEBONIOSA-N 0 3 289.375 2.848 40 0 CFABHN Cc1nc(-c2ccccc2)ncc1[C@@H](O)CN1CCCCC1 ZINC000006520561 170208904 /nfs/dbraw/zinc/20/89/04/170208904.db2.gz JBZAPFOKZOFHDO-KRWDZBQOSA-N 0 3 297.402 2.971 40 0 CFABHN C[C@@H]1CCCN([C@@H](CN)c2ccc(F)cc2F)C1 ZINC000022170805 171367536 /nfs/dbraw/zinc/36/75/36/171367536.db2.gz ZERAQKLSEVJDKP-YGRLFVJLSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1cccc(Nc2cnc([C@@H]3CCCN(C)C3)cn2)n1 ZINC000072361549 176377668 /nfs/dbraw/zinc/37/76/68/176377668.db2.gz GIYJDXUIDTUTRS-CYBMUJFWSA-N 0 3 283.379 2.733 40 0 CFABHN Cc1nc(C2CCN(CCc3ccccc3)CC2)no1 ZINC000072363751 176378061 /nfs/dbraw/zinc/37/80/61/176378061.db2.gz JIXIIJXQBVQIBI-UHFFFAOYSA-N 0 3 271.364 2.800 40 0 CFABHN CCc1nccn1-c1cccc([C@H]2CCCN(C)C2)n1 ZINC000072379100 176385587 /nfs/dbraw/zinc/38/55/87/176385587.db2.gz MBVWYFWVKYTOOA-ZDUSSCGKSA-N 0 3 270.380 2.639 40 0 CFABHN c1csc(C[C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072385048 176389241 /nfs/dbraw/zinc/38/92/41/176389241.db2.gz VPMKXDBGTNYNMV-CYBMUJFWSA-N 0 3 273.405 2.993 40 0 CFABHN c1csc(CN2CCC(c3[nH]nc4nccnc43)CC2)c1 ZINC000072393754 176394320 /nfs/dbraw/zinc/39/43/20/176394320.db2.gz SBGKPCBYXTWVCI-UHFFFAOYSA-N 0 3 299.403 2.794 40 0 CFABHN Fc1cccc2c(N3CCNCC3)cc(C(F)(F)F)nc12 ZINC000002243384 274914758 /nfs/dbraw/zinc/91/47/58/274914758.db2.gz JPOBXWMBLUOGGO-UHFFFAOYSA-N 0 3 299.271 2.802 40 0 CFABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccn2)C1 ZINC000043324323 275519456 /nfs/dbraw/zinc/51/94/56/275519456.db2.gz LRSLPXWROXDKQD-AWEZNQCLSA-N 0 3 291.395 2.571 40 0 CFABHN C/C=C\[C@@](O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 ZINC000005954584 275732366 /nfs/dbraw/zinc/73/23/66/275732366.db2.gz MGXDQTQGWGFXKM-IUVAIIAUSA-N 0 3 295.423 2.511 40 0 CFABHN CN1CCC[C@H]1c1ccnc(N2C(=O)OCC2(C)C)c1 ZINC000257203541 277082747 /nfs/dbraw/zinc/08/27/47/277082747.db2.gz AQNCAXRJOCLMPH-LBPRGKRZSA-N 0 3 275.352 2.584 40 0 CFABHN CN1CC[C@@H]2[C@@H](C1)c1ccccc1[C@]2(O)c1ccccc1 ZINC000005700908 277155184 /nfs/dbraw/zinc/15/51/84/277155184.db2.gz NDJFIWYEZXIUMO-QXAKKESOSA-N 0 3 279.383 2.971 40 0 CFABHN COc1ccccc1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000072358365 295344201 /nfs/dbraw/zinc/34/42/01/295344201.db2.gz HWOMGZYOEPKVLI-CYBMUJFWSA-N 0 3 283.375 2.961 40 0 CFABHN CCNc1ncc(CNCCC2=CCCCC2)cn1 ZINC000062717571 333175826 /nfs/dbraw/zinc/17/58/26/333175826.db2.gz NHISKKGYZREKRS-UHFFFAOYSA-N 0 3 260.385 2.889 40 0 CFABHN Cc1cc(C)nc(NCCNCc2ccccc2C)n1 ZINC000062717868 333176035 /nfs/dbraw/zinc/17/60/35/333176035.db2.gz ATUQNHMOOGCLGP-UHFFFAOYSA-N 0 3 270.380 2.604 40 0 CFABHN Cc1cc(C)nc(NCCCNCc2ccccc2F)n1 ZINC000062717867 333176177 /nfs/dbraw/zinc/17/61/77/333176177.db2.gz MRXPEHQGSIHRKH-UHFFFAOYSA-N 0 3 288.370 2.824 40 0 CFABHN CN(C)CCNc1ncc(-c2ccco2)c(-c2ccco2)n1 ZINC000012253124 521791838 /nfs/dbraw/zinc/79/18/38/521791838.db2.gz SMQIFYADRHPICD-UHFFFAOYSA-N 0 3 298.346 2.970 40 0 CFABHN C[C@H]1CN(Cc2ccccc2)C[C@@]1(CO)C(F)(F)F ZINC000228906515 524633041 /nfs/dbraw/zinc/63/30/41/524633041.db2.gz YRQQNNUMEBZONG-AAEUAGOBSA-N 0 3 273.298 2.679 40 0 CFABHN Cc1ccccc1-c1nc([C@@H](N)c2ccccc2)n[nH]1 ZINC000095533447 185005794 /nfs/dbraw/zinc/00/57/94/185005794.db2.gz HTDPYUWGNHCLIS-AWEZNQCLSA-N 0 3 264.332 2.828 40 0 CFABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096039311 185069402 /nfs/dbraw/zinc/06/94/02/185069402.db2.gz KRLYSIGFBFAJGL-HZPDHXFCSA-N 0 3 279.380 2.687 40 0 CFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096038966 185069512 /nfs/dbraw/zinc/06/95/12/185069512.db2.gz PBHNFRYUBRNYML-CABCVRRESA-N 0 3 281.421 2.766 40 0 CFABHN Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 ZINC000096053581 185073716 /nfs/dbraw/zinc/07/37/16/185073716.db2.gz YMRVJIYUICGOAF-WMLDXEAASA-N 0 3 296.370 2.683 40 0 CFABHN CO[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096069823 185085267 /nfs/dbraw/zinc/08/52/67/185085267.db2.gz DEADBMLFTDILKT-JKSUJKDBSA-N 0 3 272.348 2.507 40 0 CFABHN CO[C@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273362 348738898 /nfs/dbraw/zinc/73/88/98/348738898.db2.gz CWROKGOPRPPCQK-AEFFLSMTSA-N 0 3 299.418 2.798 40 0 CFABHN c1ccc(CO[C@@H]2CSC3(CN(C4CCC4)C3)C2)nc1 ZINC000585105316 348734120 /nfs/dbraw/zinc/73/41/20/348734120.db2.gz SXOYVNLUELCKED-HNNXBMFYSA-N 0 3 290.432 2.711 40 0 CFABHN CC(C)N1CC2(C1)C[C@H](Oc1ncccc1F)CS2 ZINC000585105359 348734678 /nfs/dbraw/zinc/73/46/78/348734678.db2.gz UZCXTJSCYVGWAI-NSHDSACASA-N 0 3 282.384 2.568 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000306130226 540166175 /nfs/dbraw/zinc/16/61/75/540166175.db2.gz IZMZZAPECJEEMO-HZPDHXFCSA-N 0 3 298.390 2.540 40 0 CFABHN COCCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667127 371693357 /nfs/dbraw/zinc/69/33/57/371693357.db2.gz ACUVMRHAWWNSHA-IAGOWNOFSA-N 0 3 271.360 2.697 40 0 CFABHN COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(Cl)cc1 ZINC000013475011 372029910 /nfs/dbraw/zinc/02/99/10/372029910.db2.gz GDFVYUDIAQQDTA-CHWSQXEVSA-N 0 3 267.756 2.548 40 0 CFABHN Cc1cc(CN2CCC[C@@H](O)C2)c(C)n1Cc1ccco1 ZINC000013568250 372034162 /nfs/dbraw/zinc/03/41/62/372034162.db2.gz KYZYJUOMRVDTEY-MRXNPFEDSA-N 0 3 288.391 2.703 40 0 CFABHN Cn1cncc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019291833 372154729 /nfs/dbraw/zinc/15/47/29/372154729.db2.gz JJRFXNCHBIWKFJ-CQSZACIVSA-N 0 3 295.390 2.676 40 0 CFABHN c1cnc([C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345756 372156662 /nfs/dbraw/zinc/15/66/62/372156662.db2.gz HPERNZVJVRDLLH-CQSZACIVSA-N 0 3 297.358 2.585 40 0 CFABHN c1ccc2c(c1)CCN[C@@H]2[C@H]1NCCc2ccccc21 ZINC000019364652 372156711 /nfs/dbraw/zinc/15/67/11/372156711.db2.gz NDHNLLQPMVDMRO-ROUUACIJSA-N 0 3 264.372 2.760 40 0 CFABHN Cc1ccc(CN(CCN(C)C)Cc2cccc(C)n2)o1 ZINC000023247801 372255735 /nfs/dbraw/zinc/25/57/35/372255735.db2.gz WHORDEBUBTWUNT-UHFFFAOYSA-N 0 3 287.407 2.855 40 0 CFABHN COc1cc(CNC[C@@H]2CCCO2)ccc1OCC(C)C ZINC000032156542 372433893 /nfs/dbraw/zinc/43/38/93/372433893.db2.gz PNGCBQOVOLXFDZ-HNNXBMFYSA-N 0 3 293.407 2.999 40 0 CFABHN CCOc1ccccc1[C@H](CN)N1CCC[C@H](C)C1 ZINC000036092742 372556038 /nfs/dbraw/zinc/55/60/38/372556038.db2.gz BIRDXGURJZQORM-ZFWWWQNUSA-N 0 3 262.397 2.817 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000037807585 372719129 /nfs/dbraw/zinc/71/91/29/372719129.db2.gz MNJNSWIVZUQIPM-AWEZNQCLSA-N 0 3 280.799 2.814 40 0 CFABHN CC(C)O[C@H](CN)c1cccc(Br)c1 ZINC000043023096 372973511 /nfs/dbraw/zinc/97/35/11/372973511.db2.gz VXGCNHSBPUNINC-LLVKDONJSA-N 0 3 258.159 2.874 40 0 CFABHN Cc1nnc([C@H]2CCN(Cc3cnc4ccccc4c3)C2)o1 ZINC000049169168 373273280 /nfs/dbraw/zinc/27/32/80/373273280.db2.gz LLYOKKLDAFZMLS-HNNXBMFYSA-N 0 3 294.358 2.916 40 0 biogenic,in-vitro CFABHN Cc1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1 ZINC000049169196 373273327 /nfs/dbraw/zinc/27/33/27/373273327.db2.gz GRWDAJWJNNUSPB-LBPRGKRZSA-N 0 3 261.300 2.507 40 0 biogenic,in-vitro CFABHN CN(C)c1cc([C@H]2CCCN(c3ccncc3)C2)ccn1 ZINC000072380926 374249738 /nfs/dbraw/zinc/24/97/38/374249738.db2.gz VHEYDSIKZTZEMH-HNNXBMFYSA-N 0 3 282.391 2.927 40 0 CFABHN CCc1cccc(C)c1NC(=O)C1CCN(C)CC1 ZINC000074713330 374434029 /nfs/dbraw/zinc/43/40/29/374434029.db2.gz GBDJLYRWTLOXHF-UHFFFAOYSA-N 0 3 260.381 2.838 40 0 CFABHN CN1CCC[C@H](C(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000082332598 374737063 /nfs/dbraw/zinc/73/70/63/374737063.db2.gz GXNCXRIOHPCFRG-JTQLQIEISA-N 0 3 286.297 2.986 40 0 CFABHN CSc1ccc(C(=O)C(C)(C)[C@@H]2CNCCO2)cc1 ZINC000087491445 374824080 /nfs/dbraw/zinc/82/40/80/374824080.db2.gz RWUFUAMIIVQPBW-ZDUSSCGKSA-N 0 3 279.405 2.606 40 0 CFABHN CN1CCCC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096217567 375479041 /nfs/dbraw/zinc/47/90/41/375479041.db2.gz BTHYKMLGLYSEDA-MRXNPFEDSA-N 0 3 259.397 2.532 40 0 CFABHN CCCn1cc(CNCCc2cccc(OC)c2)c(C)n1 ZINC000256052954 190004344 /nfs/dbraw/zinc/00/43/44/190004344.db2.gz PISOIXIOEVXIOO-UHFFFAOYSA-N 0 3 287.407 2.942 40 0 CFABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCCCN2)n1 ZINC000257218340 190014007 /nfs/dbraw/zinc/01/40/07/190014007.db2.gz DCUDEKOUNGRNDW-JTQLQIEISA-N 0 3 275.381 2.800 40 0 CFABHN c1cc2nccc(C3CCN(Cc4ccncc4)CC3)n2n1 ZINC000257211062 190012704 /nfs/dbraw/zinc/01/27/04/190012704.db2.gz BXIZZKMJTZUWEI-UHFFFAOYSA-N 0 3 293.374 2.504 40 0 CFABHN Cc1cnc(-c2cc(C)nc([C@@H]3CCCN3)n2)s1 ZINC000257234550 190016896 /nfs/dbraw/zinc/01/68/96/190016896.db2.gz GUCPBFAEUXEBGV-JTQLQIEISA-N 0 3 260.366 2.641 40 0 CFABHN Cc1cncc(CN2CCC[C@@H](c3ccnc(C)n3)C2)c1 ZINC000257255546 190020731 /nfs/dbraw/zinc/02/07/31/190020731.db2.gz KHWYBPVQABMUJJ-MRXNPFEDSA-N 0 3 282.391 2.868 40 0 CFABHN COc1cccc(Cc2cnc([C@@H]3CCCN3)o2)c1 ZINC000257246544 190019381 /nfs/dbraw/zinc/01/93/81/190019381.db2.gz IUQDLACROLWIQV-AWEZNQCLSA-N 0 3 258.321 2.699 40 0 CFABHN Cc1cccc(CN2CCC[C@H](Cc3cc[nH]n3)C2)n1 ZINC000257266240 190023192 /nfs/dbraw/zinc/02/31/92/190023192.db2.gz MCCKKJDRTAMLLM-CQSZACIVSA-N 0 3 270.380 2.568 40 0 CFABHN Cc1cc(-c2ncc[nH]2)nc([C@@H]2CCCN2CC(C)C)n1 ZINC000257252849 190021034 /nfs/dbraw/zinc/02/10/34/190021034.db2.gz JWICXCAIDXMMJX-AWEZNQCLSA-N 0 3 285.395 2.968 40 0 CFABHN CC(C)N1CCC(c2cnc(-c3ncco3)cn2)CC1 ZINC000257263558 190022317 /nfs/dbraw/zinc/02/23/17/190022317.db2.gz LQNGQTVEGBASEH-UHFFFAOYSA-N 0 3 272.352 2.719 40 0 CFABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2cccnc2)C1 ZINC000257273253 190025123 /nfs/dbraw/zinc/02/51/23/190025123.db2.gz NFVZCAGPHNMYTE-CQSZACIVSA-N 0 3 270.380 2.568 40 0 CFABHN Cc1cn[nH]c1[C@@H]1CCCCN1Cc1ccccn1 ZINC000257295094 190028748 /nfs/dbraw/zinc/02/87/48/190028748.db2.gz QWYUPHABZOKZFR-AWEZNQCLSA-N 0 3 256.353 2.840 40 0 CFABHN COc1ccccc1[C@@H]1CNCCN1Cc1cccc(C)n1 ZINC000257317790 190032509 /nfs/dbraw/zinc/03/25/09/190032509.db2.gz VLDOAPHCNDVCFO-KRWDZBQOSA-N 0 3 297.402 2.545 40 0 CFABHN c1csc(-c2n[nH]cc2CN2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257316439 190032674 /nfs/dbraw/zinc/03/26/74/190032674.db2.gz VFOVFKXSQXGEBS-LLVKDONJSA-N 0 3 299.403 2.851 40 0 CFABHN Cc1ncsc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257319131 190033784 /nfs/dbraw/zinc/03/37/84/190033784.db2.gz VQXQMIXJFIZCLL-WFASDCNBSA-N 0 3 293.436 2.540 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2ncccc2C)C1 ZINC000257337096 190036355 /nfs/dbraw/zinc/03/63/55/190036355.db2.gz YRIJVOHJPJGJMB-AWEZNQCLSA-N 0 3 270.380 2.801 40 0 CFABHN Cc1c[nH]c([C@@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000257341941 190037432 /nfs/dbraw/zinc/03/74/32/190037432.db2.gz ZMMUWYXZQIIBEV-OAHLLOKOSA-N 0 3 285.391 2.977 40 0 CFABHN CC[C@@H](NC(=O)C1CCN(C)CC1)c1ccc(OC)cc1 ZINC000174502377 379899167 /nfs/dbraw/zinc/89/91/67/379899167.db2.gz AYBSJEYBODMEHN-MRXNPFEDSA-N 0 3 290.407 2.604 40 0 CFABHN O=C1Nc2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000096052471 284932541 /nfs/dbraw/zinc/93/25/41/284932541.db2.gz XUXAMSUISBGZLR-UHFFFAOYSA-N 0 3 282.343 2.766 40 0 CFABHN CCn1cc(Cc2cccc(Br)c2)nc1N ZINC000199550126 382771965 /nfs/dbraw/zinc/77/19/65/382771965.db2.gz BNBLZMBFPJFMOE-UHFFFAOYSA-N 0 3 280.169 2.839 40 0 CFABHN Clc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000217553890 382786864 /nfs/dbraw/zinc/78/68/64/382786864.db2.gz CRQCPZYAEXYWCN-CYBMUJFWSA-N 0 3 299.765 2.869 40 0 CFABHN COCCNCc1cccn1[C@H](C)c1ccccc1 ZINC000223691531 382806635 /nfs/dbraw/zinc/80/66/35/382806635.db2.gz JOXYBHKOQWEQGD-CQSZACIVSA-N 0 3 258.365 2.833 40 0 CFABHN CN(C)CCNC(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000225329947 382814229 /nfs/dbraw/zinc/81/42/29/382814229.db2.gz FSVJOOKFKJQOLV-UHFFFAOYSA-N 0 3 289.206 2.604 40 0 CFABHN CCCc1ccc(CNC[C@H]2CCCO2)n1CC ZINC000226020923 382824417 /nfs/dbraw/zinc/82/44/17/382824417.db2.gz IHEJXLJYCMOIEZ-OAHLLOKOSA-N 0 3 250.386 2.729 40 0 CFABHN CN(Cc1ccncc1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257205136 383493614 /nfs/dbraw/zinc/49/36/14/383493614.db2.gz AXVGNLNPBNLUKQ-INIZCTEOSA-N 0 3 282.391 2.577 40 0 CFABHN CC1(C)[C@@H]2CC[C@@]1(C)c1nc(NC(=N)N)sc12 ZINC000020551702 256809839 /nfs/dbraw/zinc/80/98/39/256809839.db2.gz BAAJTJALKQDPJB-INWYIAFRSA-N 0 3 250.371 2.623 40 0 CFABHN O[C@H](CN1CCCCC1)c1ccc(Br)cc1 ZINC000017299327 285349822 /nfs/dbraw/zinc/34/98/22/285349822.db2.gz FHJSNJBZHDUZSG-CYBMUJFWSA-N 0 3 284.197 2.968 40 0 CFABHN COc1c(Br)ccc(Cl)c1CN ZINC000169800928 413049941 /nfs/dbraw/zinc/04/99/41/413049941.db2.gz OVERXJLXYMAGAE-UHFFFAOYSA-N 0 3 250.523 2.570 40 0 CFABHN Cc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1 ZINC000217555698 130762169 /nfs/dbraw/zinc/76/21/69/130762169.db2.gz LICQPXMVCKXMLA-CQSZACIVSA-N 0 3 279.347 2.524 40 0 CFABHN CN(C)CCC(=O)c1ccc2c(c1)OCCCCCO2 ZINC000005319040 393460591 /nfs/dbraw/zinc/46/05/91/393460591.db2.gz KHSLMZYTAIUIOA-UHFFFAOYSA-N 0 3 277.364 2.763 40 0 CFABHN Cc1cc(SC(C)(C)C)cnc1N1CCNCC1 ZINC000072222547 393646416 /nfs/dbraw/zinc/64/64/16/393646416.db2.gz RAFZQFPFJYDADE-UHFFFAOYSA-N 0 3 265.426 2.690 40 0 CFABHN CC(C)N1CCC[C@@H]1c1cccc(N2CCC(O)CC2)n1 ZINC000072364932 393650424 /nfs/dbraw/zinc/65/04/24/393650424.db2.gz LNTKWZHKNCZIKS-MRXNPFEDSA-N 0 3 289.423 2.588 40 0 CFABHN C[C@@]1(O)CN(Cc2ccccc2)[C@H](c2ccccc2)C[C@@H]1O ZINC000005534821 170110170 /nfs/dbraw/zinc/11/01/70/170110170.db2.gz VAKBKORICCUVPK-GBESFXJTSA-N 0 3 297.398 2.746 40 0 CFABHN C[C@H](O)CNCc1ccc(OCc2cccs2)cc1 ZINC000005911927 170154472 /nfs/dbraw/zinc/15/44/72/170154472.db2.gz IUTFFYDPUPIMQP-LBPRGKRZSA-N 0 3 277.389 2.798 40 0 CFABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1 ZINC000008300443 170329892 /nfs/dbraw/zinc/32/98/92/170329892.db2.gz MYGQTPNBZLTNHQ-CWRNSKLLSA-N 0 3 272.392 2.537 40 0 biogenic,in-vitro CFABHN Cc1[nH]c2ccc(N(C)C)cc2c(=O)c1CN1CCCC1 ZINC000008717515 170349204 /nfs/dbraw/zinc/34/92/04/170349204.db2.gz YDQAAQCFSSJXJR-UHFFFAOYSA-N 0 3 285.391 2.911 40 0 CFABHN CC1CCN(CCCOc2ccc(C=O)cc2)CC1 ZINC000008731565 170351132 /nfs/dbraw/zinc/35/11/32/170351132.db2.gz KURXTBKSSXGTKS-UHFFFAOYSA-N 0 3 261.365 3.000 40 0 CFABHN CCOc1cc(C=O)ccc1OCCCN1CCCC1 ZINC000008731480 170351151 /nfs/dbraw/zinc/35/11/51/170351151.db2.gz TXPPUYHGYLDCDI-UHFFFAOYSA-N 0 3 277.364 2.763 40 0 CFABHN COc1cc(C=O)ccc1OCCN1C[C@H](C)C[C@H](C)C1 ZINC000009261307 170369320 /nfs/dbraw/zinc/36/93/20/170369320.db2.gz UHWHRUXWSVWVIU-OKILXGFUSA-N 0 3 291.391 2.864 40 0 CFABHN CN1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876620 170388265 /nfs/dbraw/zinc/38/82/65/170388265.db2.gz XQFLWSBQSUWLRW-NSHDSACASA-N 0 3 281.787 2.803 40 0 CFABHN O=C(OCc1ccccc1)N1CCN[C@@H]2CCCC[C@@H]21 ZINC000022015678 171349481 /nfs/dbraw/zinc/34/94/81/171349481.db2.gz GZTLXXIGRCPQDZ-CABCVRRESA-N 0 3 274.364 2.540 40 0 CFABHN c1ccc([C@H]2CCCN(Cc3ccncc3)C2)nc1 ZINC000072363800 176378067 /nfs/dbraw/zinc/37/80/67/176378067.db2.gz LGLLGQNIMCLDNV-HNNXBMFYSA-N 0 3 253.349 2.856 40 0 CFABHN CCN1CCC[C@H](c2cc(Nc3ncccn3)nc(C)n2)C1 ZINC000072363444 176378419 /nfs/dbraw/zinc/37/84/19/176378419.db2.gz GSTXBHWKDDDLLY-ZDUSSCGKSA-N 0 3 298.394 2.518 40 0 CFABHN CN1CCC(c2cccc(NC[C@@]3(C)CCCO3)n2)CC1 ZINC000072365474 176380559 /nfs/dbraw/zinc/38/05/59/176380559.db2.gz CVXYYIRTIFQNNX-QGZVFWFLSA-N 0 3 289.423 2.872 40 0 CFABHN CN1CCC[C@@H]1c1cccc(Nc2cccc(C(N)=O)c2)n1 ZINC000072365281 176380794 /nfs/dbraw/zinc/38/07/94/176380794.db2.gz DHYGYCCMGMQLCM-OAHLLOKOSA-N 0 3 296.374 2.691 40 0 CFABHN CNc1cc(CN(C)C)nc([C@H]2CCCCN2C(C)C)n1 ZINC000072370073 176384337 /nfs/dbraw/zinc/38/43/37/176384337.db2.gz WTEXAXYYVHVCLM-CQSZACIVSA-N 0 3 291.443 2.515 40 0 CFABHN COc1cccc(-c2nccc([C@@H]3CCCN3C)n2)c1 ZINC000072376467 176385307 /nfs/dbraw/zinc/38/53/07/176385307.db2.gz WWHHPRIYMVUYBR-HNNXBMFYSA-N 0 3 269.348 2.919 40 0 CFABHN Cc1cc(CN2CCC[C@@H](CO)C2)c(C)n1-c1cccnc1 ZINC000072397803 176395643 /nfs/dbraw/zinc/39/56/43/176395643.db2.gz SQFMGNJCUBYVOI-MRXNPFEDSA-N 0 3 299.418 2.693 40 0 CFABHN CC(C)N(Cc1ccc(Cl)cc1Cl)C(=O)CN ZINC000076722433 177069913 /nfs/dbraw/zinc/06/99/13/177069913.db2.gz NZDLCKVWLQPMAZ-UHFFFAOYSA-N 0 3 275.179 2.689 40 0 CFABHN Cc1ccc(SCCC(=O)NC2CCN(C)CC2)cc1 ZINC000078422504 177340331 /nfs/dbraw/zinc/34/03/31/177340331.db2.gz HZZORQSJNQQZPE-UHFFFAOYSA-N 0 3 292.448 2.688 40 0 CFABHN c1coc(CN2CCC3(CCN(c4ncccn4)C3)CC2)c1 ZINC000096046590 275074552 /nfs/dbraw/zinc/07/45/52/275074552.db2.gz HVEBPBSXFDUQCW-UHFFFAOYSA-N 0 3 298.390 2.562 40 0 CFABHN Cc1cc(N(C)C)cc([C@H]2CCCN2c2ncccn2)n1 ZINC000072356652 280537139 /nfs/dbraw/zinc/53/71/39/280537139.db2.gz NDMKOFGPTQTQSP-OAHLLOKOSA-N 0 3 283.379 2.588 40 0 CFABHN Cn1cccc1CN1CCC[C@H](c2nccs2)C1 ZINC000092788967 327195261 /nfs/dbraw/zinc/19/52/61/327195261.db2.gz KXIUVAFPFMPGDI-LBPRGKRZSA-N 0 3 261.394 2.861 40 0 CFABHN CCN1CCC2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096046736 185071277 /nfs/dbraw/zinc/07/12/77/185071277.db2.gz UNAABAWWTAOYAB-UHFFFAOYSA-N 0 3 278.421 2.583 40 0 CFABHN c1cc(CN2CCC3(CN(Cc4ccccn4)C3)C2)cs1 ZINC000096046488 185071822 /nfs/dbraw/zinc/07/18/22/185071822.db2.gz BODRSNFWIQDNMO-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccco1)CC2 ZINC000096047489 185072477 /nfs/dbraw/zinc/07/24/77/185072477.db2.gz VGCGCMXCVMEBBU-INIZCTEOSA-N 0 3 276.380 2.647 40 0 CFABHN O=C1N(CC2CC2)CCC12CCN(Cc1ccoc1)CC2 ZINC000096046872 185072934 /nfs/dbraw/zinc/07/29/34/185072934.db2.gz HVPZQXICJUQZRJ-UHFFFAOYSA-N 0 3 288.391 2.504 40 0 CFABHN Cc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053793 185075796 /nfs/dbraw/zinc/07/57/96/185075796.db2.gz FODQKOBDPUAGEG-HOTGVXAUSA-N 0 3 297.402 2.547 40 0 CFABHN CCn1cc2c(n1)[C@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096059950 185081317 /nfs/dbraw/zinc/08/13/17/185081317.db2.gz ZMUSRLVFLBAWNH-INIZCTEOSA-N 0 3 289.423 2.639 40 0 CFABHN CC[C@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096070412 185085436 /nfs/dbraw/zinc/08/54/36/185085436.db2.gz ZSLHLGOIRXXZPC-ZBFHGGJFSA-N 0 3 276.380 2.611 40 0 CFABHN CC(=O)N1CCCC[C@]12CCCN(Cc1ccc(C)o1)C2 ZINC000096071904 185087367 /nfs/dbraw/zinc/08/73/67/185087367.db2.gz LRMBTYFMJFDBFG-QGZVFWFLSA-N 0 3 290.407 2.955 40 0 CFABHN COC[C@@H]1CC2(CO1)CCN(Cc1ccsc1)CC2 ZINC000096105748 185098858 /nfs/dbraw/zinc/09/88/58/185098858.db2.gz HYDKOUXQTOWMRZ-AWEZNQCLSA-N 0 3 281.421 2.766 40 0 CFABHN CC[C@H](CO)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540879 529392359 /nfs/dbraw/zinc/39/23/59/529392359.db2.gz VFCQVIIDFHIXJM-IUODEOHRSA-N 0 3 289.375 2.860 40 0 CFABHN CN(C)CCOCC(O)(c1ccccc1)c1ccccc1 ZINC000001872331 346206580 /nfs/dbraw/zinc/20/65/80/346206580.db2.gz QVXMEKXRWGDWFT-UHFFFAOYSA-N 0 3 285.387 2.501 40 0 CFABHN COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 ZINC000096110735 347701361 /nfs/dbraw/zinc/70/13/61/347701361.db2.gz OFLQFFJBUBYVTJ-MGPQQGTHSA-N 0 3 267.394 2.516 40 0 CFABHN OCCC1CCN(Cc2cccc(Cl)c2)CC1 ZINC000107958349 347737873 /nfs/dbraw/zinc/73/78/73/347737873.db2.gz JRIJUHXJHLPKIU-UHFFFAOYSA-N 0 3 253.773 2.934 40 0 CFABHN COCC[C@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102943 348734356 /nfs/dbraw/zinc/73/43/56/348734356.db2.gz LSBQFWUAXNLNLV-HNNXBMFYSA-N 0 3 293.407 2.996 40 0 CFABHN COC[C@@]12CCCO[C@H]1CCN(Cc1ccc(C)o1)C2 ZINC000107711046 186188108 /nfs/dbraw/zinc/18/81/08/186188108.db2.gz GKOXGLMHTKTTGE-HOTGVXAUSA-N 0 3 279.380 2.606 40 0 CFABHN N[C@H](c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000004255453 283620552 /nfs/dbraw/zinc/62/05/52/283620552.db2.gz BMIYJYQVIQRUFU-MRXNPFEDSA-N 0 3 255.317 2.896 40 0 CFABHN O[C@@](Cc1ccccc1)(C1CCCCC1)[C@H]1CNCCO1 ZINC000242687267 541005878 /nfs/dbraw/zinc/00/58/78/541005878.db2.gz UCXZRTLZAKLHBM-MSOLQXFVSA-N 0 3 289.419 2.529 40 0 CFABHN COc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1 ZINC000001698292 371699141 /nfs/dbraw/zinc/69/91/41/371699141.db2.gz YUAPYBHZKDWMHE-ZDUSSCGKSA-N 0 3 261.365 3.000 40 0 CFABHN CNc1c2ccccc2oc(=O)c1CN1CCCCC1 ZINC000003155268 371775945 /nfs/dbraw/zinc/77/59/45/371775945.db2.gz LTACLGVDWSMUNS-UHFFFAOYSA-N 0 3 272.348 2.821 40 0 CFABHN CC(=O)c1ccccc1OC[C@@H](O)CN1CCCC[C@H]1C ZINC000004320466 371849164 /nfs/dbraw/zinc/84/91/64/371849164.db2.gz SJVQHTYMNXUMKQ-HIFRSBDPSA-N 0 3 291.391 2.503 40 0 CFABHN NC[C@H](c1ccccc1C(F)(F)F)N1CCCC1 ZINC000022176268 372244689 /nfs/dbraw/zinc/24/46/89/372244689.db2.gz XWYMLVUZHUASIB-GFCCVEGCSA-N 0 3 258.287 2.801 40 0 CFABHN COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 ZINC000027729031 372346882 /nfs/dbraw/zinc/34/68/82/372346882.db2.gz FCJHDGUWJDXJKI-RYQLBKOJSA-N 0 3 285.387 2.562 40 0 biogenic,in-vitro CFABHN Cc1cc(Cl)ccc1NC(=O)C1CCN(C)CC1 ZINC000074713352 374434485 /nfs/dbraw/zinc/43/44/85/374434485.db2.gz KEFUIBQVJZQMMA-UHFFFAOYSA-N 0 3 266.772 2.929 40 0 CFABHN CN1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000074713425 374434530 /nfs/dbraw/zinc/43/45/30/374434530.db2.gz ZQBUUHOVMXBKOP-UHFFFAOYSA-N 0 3 297.196 2.729 40 0 CFABHN CC(C)N(Cc1cc(Cl)ccc1Cl)C(=O)CN ZINC000079420232 374609726 /nfs/dbraw/zinc/60/97/26/374609726.db2.gz HJQMQPUXQZOBRX-UHFFFAOYSA-N 0 3 275.179 2.689 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422217 374609850 /nfs/dbraw/zinc/60/98/50/374609850.db2.gz CZWMNGLLDLVEHF-KRWDZBQOSA-N 0 3 297.402 2.709 40 0 CFABHN CC(C)N(C(=O)[C@H](C)N)[C@@H](C)c1cccc(Cl)c1 ZINC000079421221 374610787 /nfs/dbraw/zinc/61/07/87/374610787.db2.gz ZPQWAPLYNZJDNE-QWRGUYRKSA-N 0 3 268.788 2.985 40 0 CFABHN CC(C)(C)OC(=O)C1COc2cc(Cl)ccc2NC1=O ZINC000095802943 375462549 /nfs/dbraw/zinc/46/25/49/375462549.db2.gz DOMUXMPWIOTODO-SECBINFHSA-N 0 3 297.738 2.629 40 0 CFABHN CCOCCCNCc1cc(C2CC2)nn1C(C)C ZINC000256051937 190003583 /nfs/dbraw/zinc/00/35/83/190003583.db2.gz LEDQCDQZPHDLQT-UHFFFAOYSA-N 0 3 265.401 2.858 40 0 CFABHN Cc1c[nH]c([C@@H]2CCCN(CCC(F)(F)F)C2)n1 ZINC000257200723 190010841 /nfs/dbraw/zinc/01/08/41/190010841.db2.gz AEQOABXQWRHISK-SNVBAGLBSA-N 0 3 261.291 2.850 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@@H](Cc2ccccn2)C1 ZINC000257214968 190013314 /nfs/dbraw/zinc/01/33/14/190013314.db2.gz CODABFCXFYWNDM-INIZCTEOSA-N 0 3 298.434 2.887 40 0 CFABHN CC(C)N1CC2(C1)CO[C@@H](Cc1cccc(F)c1)C2 ZINC000257235479 190016739 /nfs/dbraw/zinc/01/67/39/190016739.db2.gz GYAQMPVTWAXYIH-HNNXBMFYSA-N 0 3 263.356 2.868 40 0 CFABHN c1nc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c[nH]1 ZINC000257236097 190017742 /nfs/dbraw/zinc/01/77/42/190017742.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 0 3 283.375 2.699 40 0 CFABHN c1ncc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000257236097 190017743 /nfs/dbraw/zinc/01/77/43/190017743.db2.gz HATGZMXVEUYJKI-HALDLXJZSA-N 0 3 283.375 2.699 40 0 CFABHN CCCCC[C@]1(O)CCNC[C@@H]1Oc1cccc(F)c1 ZINC000257267503 190023226 /nfs/dbraw/zinc/02/32/26/190023226.db2.gz MHOMTIGJXYNNCT-HOTGVXAUSA-N 0 3 281.371 2.878 40 0 CFABHN Cc1noc(C)c1-c1nc(C)cc([C@H]2CCCCN2)n1 ZINC000257253433 190021126 /nfs/dbraw/zinc/02/11/26/190021126.db2.gz JYYAJFQVBBZVSV-GFCCVEGCSA-N 0 3 272.352 2.871 40 0 CFABHN Cc1cc(-c2ncc[nH]2)nc([C@H]2CCCN2CC(C)C)n1 ZINC000257252850 190021213 /nfs/dbraw/zinc/02/12/13/190021213.db2.gz JWICXCAIDXMMJX-CQSZACIVSA-N 0 3 285.395 2.968 40 0 CFABHN Fc1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257256411 190021590 /nfs/dbraw/zinc/02/15/90/190021590.db2.gz KLJSEQYDWVLZOD-AWEZNQCLSA-N 0 3 271.339 2.995 40 0 CFABHN CCn1cc(CN2CCC[C@@H](c3n[nH]cc3C)C2)c(C)n1 ZINC000257261822 190022434 /nfs/dbraw/zinc/02/24/34/190022434.db2.gz LIXRIXBXYTVJBY-CQSZACIVSA-N 0 3 287.411 2.623 40 0 CFABHN c1csc(-c2n[nH]cc2CN2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257316440 190033071 /nfs/dbraw/zinc/03/30/71/190033071.db2.gz VFOVFKXSQXGEBS-NSHDSACASA-N 0 3 299.403 2.851 40 0 CFABHN COc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257327881 190034546 /nfs/dbraw/zinc/03/45/46/190034546.db2.gz XDDBERPXRDVVKF-CYBMUJFWSA-N 0 3 289.354 2.937 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000257326726 190034677 /nfs/dbraw/zinc/03/46/77/190034677.db2.gz WYJIPYSDTJNCHB-OAHLLOKOSA-N 0 3 285.391 2.977 40 0 CFABHN c1ccc(CN2CCOC[C@H](Cc3ccccn3)C2)cc1 ZINC000257326845 190034710 /nfs/dbraw/zinc/03/47/10/190034710.db2.gz WYVIEYPVWTXGPD-QGZVFWFLSA-N 0 3 282.387 2.773 40 0 CFABHN NCc1cc(Br)c(F)cc1Br ZINC000113000692 375985501 /nfs/dbraw/zinc/98/55/01/375985501.db2.gz GXYRVRDICMNEFT-UHFFFAOYSA-N 0 3 282.938 2.809 40 0 CFABHN CSc1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000174432808 379885983 /nfs/dbraw/zinc/88/59/83/379885983.db2.gz BCNLJCMOUGWCDB-UHFFFAOYSA-N 0 3 264.394 2.689 40 0 CFABHN c1cn(Cc2ccccn2)c([C@H]2CNCc3ccccc32)n1 ZINC000306137761 382453396 /nfs/dbraw/zinc/45/33/96/382453396.db2.gz RFFSXBVQGBZRJP-KRWDZBQOSA-N 0 3 290.370 2.562 40 0 CFABHN c1cncc(CO[C@@H]2CSC3(CN(CC4CC4)C3)C2)c1 ZINC000253591416 383463983 /nfs/dbraw/zinc/46/39/83/383463983.db2.gz NCDMCQNNRTXSIO-HNNXBMFYSA-N 0 3 290.432 2.568 40 0 CFABHN c1cc2n(c1)C[C@@H](OCc1cccnc1)CN(CC1CC1)C2 ZINC000253588458 383464046 /nfs/dbraw/zinc/46/40/46/383464046.db2.gz DJLMEPYIXFDMMW-SFHVURJKSA-N 0 3 297.402 2.694 40 0 CFABHN Cn1nccc1CN1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257329382 383495484 /nfs/dbraw/zinc/49/54/84/383495484.db2.gz XJTLYRVNCGLWEL-HWWDLCQESA-N 0 3 297.402 2.710 40 0 CFABHN CCN1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 ZINC000072219356 393646629 /nfs/dbraw/zinc/64/66/29/393646629.db2.gz IYMNQPLFMUBBBM-MRXNPFEDSA-N 0 3 289.423 2.774 40 0 CFABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000095534067 393812855 /nfs/dbraw/zinc/81/28/55/393812855.db2.gz NDWIXLRDUBYLKE-CQSZACIVSA-N 0 3 282.322 2.967 40 0 CFABHN O=C1[C@@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccccc1 ZINC000247707179 393902638 /nfs/dbraw/zinc/90/26/38/393902638.db2.gz GBXOLJUGJKBEIV-GOEBONIOSA-N 0 3 298.411 2.843 40 0 CFABHN C[n+]1ccccc1/C=C\c1ccc([O-])c2ncccc12 ZINC000004900200 170037850 /nfs/dbraw/zinc/03/78/50/170037850.db2.gz HAEPBSGZOUOFRG-UHFFFAOYSA-O 0 3 263.320 2.935 40 0 CFABHN CN(C)CCNC(=O)/C=C/c1ccc(Cl)cc1Cl ZINC000005508995 170105867 /nfs/dbraw/zinc/10/58/67/170105867.db2.gz VHHFMZVHEXJSIB-GQCTYLIASA-N 0 3 287.190 2.684 40 0 CFABHN CCOC[C@H](CN(CC)CC)OC(=O)Nc1ccccc1 ZINC000005573069 170115169 /nfs/dbraw/zinc/11/51/69/170115169.db2.gz HRCJSNGIUGVHDW-HNNXBMFYSA-N 0 3 294.395 2.982 40 0 CFABHN CC(C)[C@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441198 173211480 /nfs/dbraw/zinc/21/14/80/173211480.db2.gz NGMMILUGFRSYMD-JTQLQIEISA-N 0 3 268.158 2.981 40 0 CFABHN CC(C)[C@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441198 173211483 /nfs/dbraw/zinc/21/14/83/173211483.db2.gz NGMMILUGFRSYMD-JTQLQIEISA-N 0 3 268.158 2.981 40 0 CFABHN O=C(NC1CC1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038850078 174157893 /nfs/dbraw/zinc/15/78/93/174157893.db2.gz VFBOLJZCSUJOIV-ZDUSSCGKSA-N 0 3 292.810 2.831 40 0 CFABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(C)C2)c1 ZINC000072358367 176376490 /nfs/dbraw/zinc/37/64/90/176376490.db2.gz CLQUUDQEHXXULP-CQSZACIVSA-N 0 3 283.375 2.961 40 0 CFABHN c1ccc([C@@H]2CCCN(Cc3ccncc3)C2)nc1 ZINC000072363799 176378187 /nfs/dbraw/zinc/37/81/87/176378187.db2.gz LGLLGQNIMCLDNV-OAHLLOKOSA-N 0 3 253.349 2.856 40 0 CFABHN COc1ccc(Nc2cc([C@@H]3CCN3)nc(C)n2)cc1 ZINC000072386428 176391602 /nfs/dbraw/zinc/39/16/02/176391602.db2.gz JQKPZTFZBINZSI-ZDUSSCGKSA-N 0 3 270.336 2.572 40 0 CFABHN c1ccc(-c2cc(CN3CCCCC3)c3nnnn3c2)cc1 ZINC000072392292 176394543 /nfs/dbraw/zinc/39/45/43/176394543.db2.gz AFVKDAZCWCLZKY-UHFFFAOYSA-N 0 3 293.374 2.777 40 0 CFABHN Cc1cccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)c1 ZINC000079420647 177487853 /nfs/dbraw/zinc/48/78/53/177487853.db2.gz IXYCNTUYBBQPDY-HNNXBMFYSA-N 0 3 262.397 2.715 40 0 CFABHN Brc1ccc2c(c1)C1(CCC1)NCC2 ZINC000237989553 275370356 /nfs/dbraw/zinc/37/03/56/275370356.db2.gz BYDAFQFOHQESHU-UHFFFAOYSA-N 0 3 252.155 2.974 40 0 CFABHN CNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)n1 ZINC000328979981 277043322 /nfs/dbraw/zinc/04/33/22/277043322.db2.gz GJTQRFCTGUOYDH-NSHDSACASA-N 0 3 268.364 2.778 40 0 CFABHN CN1[C@H](c2ccccc2F)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257210624 277215463 /nfs/dbraw/zinc/21/54/63/277215463.db2.gz BVMDIVZJJSBPTN-DZKIICNBSA-N 0 3 276.355 2.630 40 0 CFABHN NC[C@H](c1ccccc1Br)N1CCCC1 ZINC000019422235 303418037 /nfs/dbraw/zinc/41/80/37/303418037.db2.gz YVWHMADHZSEFOS-GFCCVEGCSA-N 0 3 269.186 2.545 40 0 CFABHN CCNc1ncc(CNCCc2ccc(Cl)cc2)cn1 ZINC000062717568 333175733 /nfs/dbraw/zinc/17/57/33/333175733.db2.gz BQBWYCXJQQUTNU-UHFFFAOYSA-N 0 3 290.798 2.894 40 0 CFABHN COc1ccc(-c2nc([C@@H](N)c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534082 185005789 /nfs/dbraw/zinc/00/57/89/185005789.db2.gz LWHJIBCYNVVUGZ-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000095533743 185006747 /nfs/dbraw/zinc/00/67/47/185006747.db2.gz MHMSNTDCNICZSI-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096039327 185068883 /nfs/dbraw/zinc/06/88/83/185068883.db2.gz DEJDKHNIGFFHTQ-IAGOWNOFSA-N 0 3 293.407 2.996 40 0 CFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1cccs1)C2 ZINC000096038967 185069379 /nfs/dbraw/zinc/06/93/79/185069379.db2.gz PBHNFRYUBRNYML-HUUCEWRRSA-N 0 3 281.421 2.766 40 0 CFABHN CC[C@@H](CO)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540875 529515086 /nfs/dbraw/zinc/51/50/86/529515086.db2.gz VFCQVIIDFHIXJM-DOMZBBRYSA-N 0 3 289.375 2.860 40 0 CFABHN NC[C@H](c1ccc(N2CCCCC2)o1)N1CCCCC1 ZINC000409438002 348602232 /nfs/dbraw/zinc/60/22/32/348602232.db2.gz BPBHEVOHIBDKKO-CQSZACIVSA-N 0 3 277.412 2.756 40 0 CFABHN CC(C)(C)OC(=O)N(C1CC1)C1(C(=N)NO)CCCC1 ZINC000409442505 348602628 /nfs/dbraw/zinc/60/26/28/348602628.db2.gz WBUQSXYDWARCFL-UHFFFAOYSA-N 0 3 283.372 2.655 40 0 CFABHN c1ccc2c(c1)nc1c(c2N2CCOCC2)CCCC1 ZINC000001873628 371710170 /nfs/dbraw/zinc/71/01/70/371710170.db2.gz AEFUUWFATZZAGD-UHFFFAOYSA-N 0 3 268.360 2.950 40 0 CFABHN CN(C)Cc1ccccc1CC(=O)Nc1ccccc1 ZINC000001713501 371702398 /nfs/dbraw/zinc/70/23/98/371702398.db2.gz BCUMXRCWIDMHJK-UHFFFAOYSA-N 0 3 268.360 2.929 40 0 CFABHN CN1CC[C@](O)(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000004791874 371875584 /nfs/dbraw/zinc/87/55/84/371875584.db2.gz CHRSBWPLDAJHHB-ROUUACIJSA-N 0 3 267.372 2.994 40 0 CFABHN OCC[C@@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000019376329 372158758 /nfs/dbraw/zinc/15/87/58/372158758.db2.gz QSSJZSUBDVVDEH-INIZCTEOSA-N 0 3 270.376 2.972 40 0 CFABHN CCOc1ccc(OCC)c2nc3c(cc12)CNCCO3 ZINC000019532581 372174544 /nfs/dbraw/zinc/17/45/44/372174544.db2.gz ZIRRYQMHEDNLGW-UHFFFAOYSA-N 0 3 288.347 2.514 40 0 CFABHN NCc1n[nH]c2cc(OCc3ccccc3)ccc21 ZINC000026896667 372331246 /nfs/dbraw/zinc/33/12/46/372331246.db2.gz MESMKKLRQOQTAH-UHFFFAOYSA-N 0 3 253.305 2.601 40 0 CFABHN CCC(C)(C)OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000028295250 372364654 /nfs/dbraw/zinc/36/46/54/372364654.db2.gz NOKMVAIAFJMYST-INIZCTEOSA-N 0 3 277.408 2.611 40 0 CFABHN COCCNCc1cccn1Cc1ccccc1C ZINC000037696492 372691263 /nfs/dbraw/zinc/69/12/63/372691263.db2.gz JYKOPIKVJAYBHC-UHFFFAOYSA-N 0 3 258.365 2.581 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000037801848 372714861 /nfs/dbraw/zinc/71/48/61/372714861.db2.gz AHQYKRSGRYRFDY-AWEZNQCLSA-N 0 3 298.789 2.953 40 0 CFABHN COc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000056894877 373574954 /nfs/dbraw/zinc/57/49/54/373574954.db2.gz SKMDMYKRKYICEO-SFHVURJKSA-N 0 3 282.387 2.842 40 0 CFABHN Cc1cncc(C2CCN(c3ccncc3)CC2)n1 ZINC000072380875 374246740 /nfs/dbraw/zinc/24/67/40/374246740.db2.gz KCIKSEVWFXJKPO-UHFFFAOYSA-N 0 3 254.337 2.564 40 0 CFABHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CC2)c(C)o1 ZINC000096184414 375474859 /nfs/dbraw/zinc/47/48/59/375474859.db2.gz MRVWRHGVUHIIKY-JKSUJKDBSA-N 0 3 288.391 2.595 40 0 CFABHN c1coc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216838 375480030 /nfs/dbraw/zinc/48/00/30/375480030.db2.gz WDKXITFEYSMOQV-KRWDZBQOSA-N 0 3 298.390 2.562 40 0 CFABHN Cc1nc(C)c2c(n1)CCN(Cc1ccsc1)CC2 ZINC000096254506 375482143 /nfs/dbraw/zinc/48/21/43/375482143.db2.gz QTMFYINMQYAPND-UHFFFAOYSA-N 0 3 273.405 2.756 40 0 CFABHN Cc1ccnc([C@H]2CCN(Cc3cccc(F)c3)C2)n1 ZINC000257203018 190010907 /nfs/dbraw/zinc/01/09/07/190010907.db2.gz AOHXIVFVDRFJPB-AWEZNQCLSA-N 0 3 271.339 2.914 40 0 CFABHN NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3)cn2)cc1 ZINC000257212618 190013104 /nfs/dbraw/zinc/01/31/04/190013104.db2.gz CEFSRPOUQSAYGE-HNNXBMFYSA-N 0 3 281.359 2.662 40 0 CFABHN CNC(=O)c1cccc([C@@H]2CCCN2C2CCCC2)n1 ZINC000257212391 190013344 /nfs/dbraw/zinc/01/33/44/190013344.db2.gz CDFVFNLVRKRRDT-HNNXBMFYSA-N 0 3 273.380 2.521 40 0 CFABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000257224689 190015771 /nfs/dbraw/zinc/01/57/71/190015771.db2.gz FCWYGGCVTIYFMH-HNNXBMFYSA-N 0 3 284.407 2.876 40 0 CFABHN CCc1nccn1-c1ccc([C@@H]2CCCCN2C)cn1 ZINC000257229303 190015852 /nfs/dbraw/zinc/01/58/52/190015852.db2.gz FXOSRZPCBZWDLD-AWEZNQCLSA-N 0 3 270.380 2.987 40 0 CFABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2ccc(C)nc2)C1 ZINC000257224690 190015299 /nfs/dbraw/zinc/01/52/99/190015299.db2.gz FCWYGGCVTIYFMH-OAHLLOKOSA-N 0 3 284.407 2.876 40 0 CFABHN Cc1cnc(Nc2cc(C)nc([C@H]3CCCN3)n2)s1 ZINC000257240630 190018424 /nfs/dbraw/zinc/01/84/24/190018424.db2.gz HUKFDVVHIFIUQI-SNVBAGLBSA-N 0 3 275.381 2.718 40 0 CFABHN Cc1ccccc1CN1CCC2(CC1)OCCC[C@H]2O ZINC000257249959 190020226 /nfs/dbraw/zinc/02/02/26/190020226.db2.gz JKJQZGRJIZEKRP-MRXNPFEDSA-N 0 3 275.392 2.501 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cncs2)C1 ZINC000257256634 190021627 /nfs/dbraw/zinc/02/16/27/190021627.db2.gz KMHBASGLGUWOCX-NSHDSACASA-N 0 3 262.382 2.554 40 0 CFABHN CN(C)c1cc([C@@H]2CCCN(Cc3ccccn3)C2)ccn1 ZINC000257278365 190025896 /nfs/dbraw/zinc/02/58/96/190025896.db2.gz OBYRUEORQBNDNK-MRXNPFEDSA-N 0 3 296.418 2.922 40 0 CFABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000257273252 190024404 /nfs/dbraw/zinc/02/44/04/190024404.db2.gz NFVZCAGPHNMYTE-AWEZNQCLSA-N 0 3 270.380 2.568 40 0 CFABHN CCn1nccc1-c1cccc([C@H]2CCCN2C)n1 ZINC000257306682 190031517 /nfs/dbraw/zinc/03/15/17/190031517.db2.gz SVIOFEPBJGGFIJ-CQSZACIVSA-N 0 3 256.353 2.732 40 0 CFABHN CCn1cc(CN2CCC[C@@H](c3ccnc(NC)c3)C2)cn1 ZINC000257298092 190029552 /nfs/dbraw/zinc/02/95/52/190029552.db2.gz RKCHYZGFQJOMPX-MRXNPFEDSA-N 0 3 299.422 2.719 40 0 CFABHN CC(C)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257302200 190030567 /nfs/dbraw/zinc/03/05/67/190030567.db2.gz SBXMNEMPMNYHFA-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN O[C@@H](CN[C@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000124289646 377035676 /nfs/dbraw/zinc/03/56/76/377035676.db2.gz JEJCURJKGQZYBR-FXQIFTODSA-N 0 3 279.224 2.620 40 0 CFABHN NC[C@H](c1ccc(Br)cc1)N1CCCC1 ZINC000038809029 295264470 /nfs/dbraw/zinc/26/44/70/295264470.db2.gz AYXDZDZMVWQQLF-GFCCVEGCSA-N 0 3 269.186 2.545 40 0 CFABHN O=C1CC[C@@H](NCc2ccoc2)[C@H](c2cccc(F)c2)N1 ZINC000072398322 296325410 /nfs/dbraw/zinc/32/54/10/296325410.db2.gz QBGSUGSBWCIYTD-ZBFHGGJFSA-N 0 3 288.322 2.528 40 0 CFABHN CN1CCC(Oc2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000225385930 382815003 /nfs/dbraw/zinc/81/50/03/382815003.db2.gz OEZHSJZKEBTUHA-UHFFFAOYSA-N 0 3 274.364 2.508 40 0 CFABHN c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CC1)C2 ZINC000253588379 383464027 /nfs/dbraw/zinc/46/40/27/383464027.db2.gz APHGROSVTCZNOU-GOSISDBHSA-N 0 3 297.402 2.694 40 0 CFABHN Cc1ccc(CN2CCc3ncnc(C)c3CC2)cc1 ZINC000096254952 256835406 /nfs/dbraw/zinc/83/54/06/256835406.db2.gz OVJOWHWBRKDRLT-UHFFFAOYSA-N 0 3 267.376 2.694 40 0 CFABHN c1cn(CC2CC2)c([C@H]2CNCc3ccccc32)n1 ZINC000306130306 285535723 /nfs/dbraw/zinc/53/57/23/285535723.db2.gz JCAPAOAZKSWGMY-HNNXBMFYSA-N 0 3 253.349 2.528 40 0 CFABHN Cc1nc(N2CCNCC2)ccc1SC(C)(C)C ZINC000072224634 393647741 /nfs/dbraw/zinc/64/77/41/393647741.db2.gz MLKIHQDWTOUKSO-UHFFFAOYSA-N 0 3 265.426 2.690 40 0 CFABHN CCN1CCC[C@@H](Nc2cncc(Br)c2)C1 ZINC000096510505 393835085 /nfs/dbraw/zinc/83/50/85/393835085.db2.gz NNCFNSURBYTISG-LLVKDONJSA-N 0 3 284.201 2.740 40 0 CFABHN CCn1c(CNC[C@H]2CCCO2)ccc1CC(C)C ZINC000226020376 393770620 /nfs/dbraw/zinc/77/06/20/393770620.db2.gz KWVZNRKNACYCEB-MRXNPFEDSA-N 0 3 264.413 2.975 40 0 CFABHN CC(=O)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096071587 393815939 /nfs/dbraw/zinc/81/59/39/393815939.db2.gz UHZOXPMPGXAUKE-HNNXBMFYSA-N 0 3 278.421 2.583 40 0 CFABHN CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@@H](C)N(C)C[C@@H]2C ZINC000101236058 393847832 /nfs/dbraw/zinc/84/78/32/393847832.db2.gz URLGZASRDBGECB-FJXFWJLJSA-N 0 3 289.379 2.515 40 0 CFABHN Fc1ccccc1CNCCCSc1ncccn1 ZINC000004984169 170048848 /nfs/dbraw/zinc/04/88/48/170048848.db2.gz NKURDEVFJFQNCA-UHFFFAOYSA-N 0 3 277.368 2.888 40 0 CFABHN CN1CCC(c2ccccc2)(c2ccccc2)[C@H](O)C1 ZINC000005699651 170130456 /nfs/dbraw/zinc/13/04/56/170130456.db2.gz RJCOJCFNNDCSOK-QGZVFWFLSA-N 0 3 267.372 2.669 40 0 CFABHN CC/C=C\[C@@](O)(C(=O)OC1CCN(C)CC1)C1CCCC1 ZINC000005954606 170162026 /nfs/dbraw/zinc/16/20/26/170162026.db2.gz KZQMQKXFKZZRSP-OSCZDJLXSA-N 0 3 295.423 2.511 40 0 CFABHN Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C)C2)n1 ZINC000072354272 176375272 /nfs/dbraw/zinc/37/52/72/176375272.db2.gz BICBSWDWRZJBIN-CYBMUJFWSA-N 0 3 283.379 2.733 40 0 CFABHN Cn1cc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cn1 ZINC000072367983 176382161 /nfs/dbraw/zinc/38/21/61/176382161.db2.gz YKGVXZZEXJBHLP-CQSZACIVSA-N 0 3 295.390 2.676 40 0 CFABHN Cc1cccnc1Nc1nccnc1[C@@H]1CCCN(C)C1 ZINC000072367709 176382601 /nfs/dbraw/zinc/38/26/01/176382601.db2.gz PAPBXSWAAJUKKE-CYBMUJFWSA-N 0 3 283.379 2.733 40 0 CFABHN COc1ccc(-c2nccc([C@H]3CCCN3C)n2)cc1 ZINC000072376468 176385249 /nfs/dbraw/zinc/38/52/49/176385249.db2.gz SHXUEXLHUPHMPP-OAHLLOKOSA-N 0 3 269.348 2.919 40 0 CFABHN c1ccc(C[C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000072385079 176389380 /nfs/dbraw/zinc/38/93/80/176389380.db2.gz HFKUFNWLCYAPIN-HNNXBMFYSA-N 0 3 267.376 2.931 40 0 CFABHN COc1ccc2[nH]c(CN3CCC[C@@H](CO)C3)c(C)c2c1 ZINC000072397811 176395420 /nfs/dbraw/zinc/39/54/20/176395420.db2.gz KKXAXFFGYJHZDY-CYBMUJFWSA-N 0 3 288.391 2.689 40 0 CFABHN CN1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 ZINC000049169417 277173971 /nfs/dbraw/zinc/17/39/71/277173971.db2.gz ATGBTBUSTXXULE-JTQLQIEISA-N 0 3 263.728 2.809 40 0 biogenic,in-vitro CFABHN COc1ccc(Cl)c2c(N3CCNCC3)cc(C)nc12 ZINC000225322126 277903225 /nfs/dbraw/zinc/90/32/25/277903225.db2.gz VQRLSQRMUYSREE-UHFFFAOYSA-N 0 3 291.782 2.615 40 0 CFABHN COc1cccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)c1 ZINC000095534093 185007576 /nfs/dbraw/zinc/00/75/76/185007576.db2.gz QHBVDEAZTKRFAG-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096039328 185069571 /nfs/dbraw/zinc/06/95/71/185069571.db2.gz DEJDKHNIGFFHTQ-IRXDYDNUSA-N 0 3 293.407 2.996 40 0 CFABHN Cc1nc(CN)cc(-c2cccc(Br)c2)n1 ZINC000096979903 185145501 /nfs/dbraw/zinc/14/55/01/185145501.db2.gz JYJZXSDVDWZJQI-UHFFFAOYSA-N 0 3 278.153 2.673 40 0 CFABHN Cc1nc(NC2CC2)cc(N2CCc3ccccc3C2)n1 ZINC000242497330 136386167 /nfs/dbraw/zinc/38/61/67/136386167.db2.gz BSWIIVIJCIMZSP-UHFFFAOYSA-N 0 3 280.375 2.922 40 0 CFABHN CNCc1scc(Br)c1Br ZINC000085391239 179047731 /nfs/dbraw/zinc/04/77/31/179047731.db2.gz WRDZZULEFHTJRY-UHFFFAOYSA-N 0 3 285.004 2.993 40 0 CFABHN COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 ZINC000096110737 347701519 /nfs/dbraw/zinc/70/15/19/347701519.db2.gz OCNLNIAPHBZFQU-BPLDGKMQSA-N 0 3 281.421 2.825 40 0 CFABHN COCC[C@@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 ZINC000585102945 348734530 /nfs/dbraw/zinc/73/45/30/348734530.db2.gz LSBQFWUAXNLNLV-OAHLLOKOSA-N 0 3 293.407 2.996 40 0 CFABHN C(O[C@H]1CSC2(CN(C3CCC3)C2)C1)C1CCOCC1 ZINC000585105448 348734704 /nfs/dbraw/zinc/73/47/04/348734704.db2.gz WRUMHOXFCKEYOJ-OAHLLOKOSA-N 0 3 297.464 2.542 40 0 CFABHN Cc1ccc(F)c(CN2CCC[C@]3(CCNC3=O)CC2)c1 ZINC000108527990 186220965 /nfs/dbraw/zinc/22/09/65/186220965.db2.gz GYDGMPWZLLQZMR-KRWDZBQOSA-N 0 3 290.382 2.626 40 0 CFABHN CCOC[C@@H](CN(CC)CC)OC(=O)Nc1ccccc1 ZINC000001667346 371693295 /nfs/dbraw/zinc/69/32/95/371693295.db2.gz HRCJSNGIUGVHDW-OAHLLOKOSA-N 0 3 294.395 2.982 40 0 CFABHN C[n+]1cccc(/C=C/c2ccc3cccc([O-])c3n2)c1 ZINC000003954145 371825973 /nfs/dbraw/zinc/82/59/73/371825973.db2.gz RCWLCUJWVGJLGB-VQHVLOKHSA-O 0 3 263.320 2.935 40 0 in-vitro CFABHN N[C@@H](c1ccc(Br)cc1)c1cccnc1 ZINC000011737285 371927374 /nfs/dbraw/zinc/92/73/74/371927374.db2.gz RUXAKBAMHWCBPS-LBPRGKRZSA-N 0 3 263.138 2.892 40 0 CFABHN Cc1[nH]c2c(cccc2C)c1CC(=O)N[C@@H]1CCCN(C)C1 ZINC000012183375 371947566 /nfs/dbraw/zinc/94/75/66/371947566.db2.gz CVMQGMMUYDENET-CQSZACIVSA-N 0 3 299.418 2.538 40 0 CFABHN CN(C)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367684 372158701 /nfs/dbraw/zinc/15/87/01/372158701.db2.gz YKMZEBJFTJPMGZ-MSOLQXFVSA-N 0 3 284.403 2.613 40 0 CFABHN Cc1[nH]c2c(cccc2C(=O)N[C@@H]2CCCN(C)C2)c1C ZINC000019576940 372175571 /nfs/dbraw/zinc/17/55/71/372175571.db2.gz HZOOJDRVLXLVBZ-CYBMUJFWSA-N 0 3 285.391 2.609 40 0 CFABHN CN1CCN(Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019590058 372176843 /nfs/dbraw/zinc/17/68/43/372176843.db2.gz KGMSHQORCJGTCY-UHFFFAOYSA-N 0 3 296.374 2.570 40 0 CFABHN Cc1cc(C)c(C)c(OC[C@H](O)CN2CCCCC2)c1 ZINC000026780540 372329913 /nfs/dbraw/zinc/32/99/13/372329913.db2.gz VHKKUCOTMUSOHW-MRXNPFEDSA-N 0 3 277.408 2.837 40 0 CFABHN COc1ccc2c(c1)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3 ZINC000027729038 372347360 /nfs/dbraw/zinc/34/73/60/372347360.db2.gz FCJHDGUWJDXJKI-BPQIPLTHSA-N 0 3 285.387 2.562 40 0 biogenic,in-vitro CFABHN C[C@H](CNCc1cccs1)C(=O)OC(C)(C)C ZINC000047219115 373085432 /nfs/dbraw/zinc/08/54/32/373085432.db2.gz MROWJAXUIUAUGO-SNVBAGLBSA-N 0 3 255.383 2.816 40 0 CFABHN Fc1ccccc1[C@H]1CN(Cc2ccccc2)CCN1 ZINC000056894758 373573927 /nfs/dbraw/zinc/57/39/27/373573927.db2.gz HOPRDLBLTLJYIS-QGZVFWFLSA-N 0 3 270.351 2.972 40 0 CFABHN O=C1CC[C@@H](NCc2ccoc2)[C@H](c2ccccc2F)N1 ZINC000072398317 374248994 /nfs/dbraw/zinc/24/89/94/374248994.db2.gz WBGGEXHHGJDPNG-ZBFHGGJFSA-N 0 3 288.322 2.528 40 0 CFABHN CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H](N)C(C)C ZINC000079420390 374610353 /nfs/dbraw/zinc/61/03/53/374610353.db2.gz GKKXDNNNARVFPV-ZDUSSCGKSA-N 0 3 268.788 2.672 40 0 CFABHN CC(C)(C)OC(=O)C1COc2cc(Cl)ccc2NC1=O ZINC000095802944 375462973 /nfs/dbraw/zinc/46/29/73/375462973.db2.gz DOMUXMPWIOTODO-VIFPVBQESA-N 0 3 297.738 2.629 40 0 CFABHN COC1CC2(C1)CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096159326 375471541 /nfs/dbraw/zinc/47/15/41/375471541.db2.gz JTCYEKHQHTVEQN-UHFFFAOYSA-N 0 3 289.375 2.806 40 0 CFABHN c1ccc(CN2CCc3ncnc(C4CC4)c3CC2)cc1 ZINC000096255079 375481876 /nfs/dbraw/zinc/48/18/76/375481876.db2.gz LJZAYHWBVPUHQM-UHFFFAOYSA-N 0 3 279.387 2.955 40 0 CFABHN CN(C)Cc1cncc([C@H]2CCCN2C2CCCC2)n1 ZINC000257205800 190011229 /nfs/dbraw/zinc/01/12/29/190011229.db2.gz BAPIHZBFUPWOBG-MRXNPFEDSA-N 0 3 274.412 2.618 40 0 CFABHN CCn1cc(CN2CCC[C@H]2CCc2ccncc2)cn1 ZINC000257215284 190013517 /nfs/dbraw/zinc/01/35/17/190013517.db2.gz CPLXMUGVENFQJD-KRWDZBQOSA-N 0 3 284.407 2.895 40 0 CFABHN c1cc(CN2CCC(c3cnccn3)CC2)cs1 ZINC000257232461 190016721 /nfs/dbraw/zinc/01/67/21/190016721.db2.gz GKXZUDQCHYGCDF-UHFFFAOYSA-N 0 3 259.378 2.918 40 0 CFABHN Cc1nc(Nc2nccs2)cc([C@H]2CCCCN2)n1 ZINC000257218341 190014069 /nfs/dbraw/zinc/01/40/69/190014069.db2.gz DCUDEKOUNGRNDW-SNVBAGLBSA-N 0 3 275.381 2.800 40 0 CFABHN Cc1cc(-c2cccc([C@@H]3CCCN(C)C3)n2)n[nH]1 ZINC000257257378 190021564 /nfs/dbraw/zinc/02/15/64/190021564.db2.gz KPJMQYCBTRQZMQ-GFCCVEGCSA-N 0 3 256.353 2.589 40 0 CFABHN Cc1ccnc([C@@H]2CCN(CCc3ccc(F)cc3)C2)n1 ZINC000257275053 190025007 /nfs/dbraw/zinc/02/50/07/190025007.db2.gz NNSRUPHODNSHMM-OAHLLOKOSA-N 0 3 285.366 2.956 40 0 CFABHN Cc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cn1 ZINC000257292166 190027908 /nfs/dbraw/zinc/02/79/08/190027908.db2.gz QKGSLOWDLUGOSY-OAHLLOKOSA-N 0 3 268.364 2.560 40 0 CFABHN CCn1nccc1-c1cccc(C2CCN(C)CC2)n1 ZINC000257293132 190028670 /nfs/dbraw/zinc/02/86/70/190028670.db2.gz QOGUZENYRZGFIQ-UHFFFAOYSA-N 0 3 270.380 2.774 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000257326725 190034638 /nfs/dbraw/zinc/03/46/38/190034638.db2.gz WYJIPYSDTJNCHB-HNNXBMFYSA-N 0 3 285.391 2.977 40 0 CFABHN CCCCN(CCCC)Cc1cc(N)nn1CC ZINC000408716335 380946162 /nfs/dbraw/zinc/94/61/62/380946162.db2.gz LSAMPFMTRQRZMO-UHFFFAOYSA-N 0 3 252.406 2.718 40 0 CFABHN CN1CCC(c2nnc3ccc(-c4cccs4)nn32)CC1 ZINC000306138114 382453098 /nfs/dbraw/zinc/45/30/98/382453098.db2.gz RPMYOFJDQBKXPT-UHFFFAOYSA-N 0 3 299.403 2.662 40 0 CFABHN CC(C)(C)OC(=O)N[C@H]1[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000575410500 382769952 /nfs/dbraw/zinc/76/99/52/382769952.db2.gz JYIFMNXUMIYQHE-QDMKHBRRSA-N 0 3 288.391 2.642 40 0 CFABHN NCc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000199523310 382772112 /nfs/dbraw/zinc/77/21/12/382772112.db2.gz SXVLKWWEVKNLGL-UHFFFAOYSA-N 0 3 281.764 2.632 40 0 CFABHN COCCNCc1cccn1-c1cc(C)cc(C)c1 ZINC000223682964 382806266 /nfs/dbraw/zinc/80/62/66/382806266.db2.gz XKWWRYKFSKNQEC-UHFFFAOYSA-N 0 3 258.365 2.830 40 0 CFABHN CC(=O)N1CCN(C2CCCC2)C[C@H]1c1ccccc1 ZINC000257343393 383495287 /nfs/dbraw/zinc/49/52/87/383495287.db2.gz ZSVNBXYQWJAUNZ-KRWDZBQOSA-N 0 3 272.392 2.834 40 0 CFABHN Cc1cc(N2CCNCC2)c2ccc(Cl)c(C)c2n1 ZINC000068136533 393634229 /nfs/dbraw/zinc/63/42/29/393634229.db2.gz LCNFGILYBFNDDI-UHFFFAOYSA-N 0 3 275.783 2.915 40 0 CFABHN N[C@@H](c1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000072225438 393647810 /nfs/dbraw/zinc/64/78/10/393647810.db2.gz ZGFQWFIKYWFMPF-INIZCTEOSA-N 0 3 253.349 2.730 40 0 CFABHN CN1CC[C@@H](NC2CC2)c2cc(Cl)ccc2C1 ZINC000096510461 393834486 /nfs/dbraw/zinc/83/44/86/393834486.db2.gz SXLMTTGGODEZDB-CQSZACIVSA-N 0 3 250.773 2.969 40 0 CFABHN CC1CCN([C@H](CN)c2cncc(Br)c2)CC1 ZINC000096511151 393836012 /nfs/dbraw/zinc/83/60/12/393836012.db2.gz CPJSKASEMCDTCG-CYBMUJFWSA-N 0 3 298.228 2.576 40 0 CFABHN N[C@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533277 393813014 /nfs/dbraw/zinc/81/30/14/393813014.db2.gz PNRGFYCWQKURSF-HNNXBMFYSA-N 0 3 297.337 2.604 40 0 CFABHN COc1cc2c(cc1OC)[C@H](C1(O)CCCCC1)NCC2 ZINC000005844151 286260530 /nfs/dbraw/zinc/26/05/30/286260530.db2.gz AUNGERODPATJIY-MRXNPFEDSA-N 0 3 291.391 2.586 40 0 CFABHN COc1ccccc1C[C@@H](N)c1ccccc1OC ZINC000006485123 170205483 /nfs/dbraw/zinc/20/54/83/170205483.db2.gz KXVQWBRFAKVCSY-CQSZACIVSA-N 0 3 257.333 2.946 40 0 CFABHN Cc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1C ZINC000009876392 170388116 /nfs/dbraw/zinc/38/81/16/170388116.db2.gz CEUAZABVNKKLGW-CQSZACIVSA-N 0 3 291.464 2.932 40 0 CFABHN CN1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000009876614 170388236 /nfs/dbraw/zinc/38/82/36/170388236.db2.gz XQFLWSBQSUWLRW-LLVKDONJSA-N 0 3 281.787 2.803 40 0 CFABHN Cc1cc(C)cc(NC(=S)NC[C@H]2CCCN(C)C2)c1 ZINC000009876161 170388390 /nfs/dbraw/zinc/38/83/90/170388390.db2.gz QJDPRYCOUYXJFJ-CQSZACIVSA-N 0 3 291.464 2.932 40 0 CFABHN Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1C ZINC000009876383 170388479 /nfs/dbraw/zinc/38/84/79/170388479.db2.gz CEUAZABVNKKLGW-AWEZNQCLSA-N 0 3 291.464 2.932 40 0 CFABHN O=C(OCc1ccccc1)N1CCN[C@H]2CCCC[C@H]21 ZINC000022015690 171349729 /nfs/dbraw/zinc/34/97/29/171349729.db2.gz GZTLXXIGRCPQDZ-LSDHHAIUSA-N 0 3 274.364 2.540 40 0 CFABHN CCOc1c(CNCCN(CC)CC)cccc1OC ZINC000022075960 171352063 /nfs/dbraw/zinc/35/20/63/171352063.db2.gz JXMCNMYCNXXCNL-UHFFFAOYSA-N 0 3 280.412 2.525 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)[C@H](C)c1cccc(Cl)c1 ZINC000038101381 174116777 /nfs/dbraw/zinc/11/67/77/174116777.db2.gz GCKRLGREYLFMIA-MFKMUULPSA-N 0 3 268.788 2.843 40 0 CFABHN CC(C)(C)C(=O)NCCCN1CCc2ccccc2C1 ZINC000046239345 175395194 /nfs/dbraw/zinc/39/51/94/175395194.db2.gz RMRBDHVXWVSGRK-UHFFFAOYSA-N 0 3 274.408 2.597 40 0 CFABHN c1cc(CN2CCC(c3ccncc3)CC2)ccn1 ZINC000072351193 176374165 /nfs/dbraw/zinc/37/41/65/176374165.db2.gz ZPPBAMJQGUNSKH-UHFFFAOYSA-N 0 3 253.349 2.856 40 0 CFABHN COc1ccccc1-c1cnc([C@H]2CCCN(C)C2)cn1 ZINC000072360683 176376683 /nfs/dbraw/zinc/37/66/83/176376683.db2.gz PKZKEICJWWMWKH-ZDUSSCGKSA-N 0 3 283.375 2.961 40 0 CFABHN CCN1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361574 176377307 /nfs/dbraw/zinc/37/73/07/176377307.db2.gz XLISKEVNOFIRJO-CYBMUJFWSA-N 0 3 283.379 2.815 40 0 CFABHN CN1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361555 176377800 /nfs/dbraw/zinc/37/78/00/176377800.db2.gz BYKBGGAKUXNIEZ-LLVKDONJSA-N 0 3 289.408 2.561 40 0 CFABHN CNc1cc(CN(C)C)nc([C@@H]2CCCCN2C(C)C)n1 ZINC000072370074 176383955 /nfs/dbraw/zinc/38/39/55/176383955.db2.gz WTEXAXYYVHVCLM-AWEZNQCLSA-N 0 3 291.443 2.515 40 0 CFABHN CC(C)[N@@H+]1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377464 176385571 /nfs/dbraw/zinc/38/55/71/176385571.db2.gz ZHGGZKSUPCWNGV-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@H](c2ccnc([N-]c3cnccn3)n2)C1 ZINC000072377464 176385572 /nfs/dbraw/zinc/38/55/72/176385572.db2.gz ZHGGZKSUPCWNGV-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN COc1ccc(Nc2cc([C@H]3CCN3)nc(C)n2)cc1 ZINC000072386429 176391345 /nfs/dbraw/zinc/39/13/45/176391345.db2.gz JQKPZTFZBINZSI-CYBMUJFWSA-N 0 3 270.336 2.572 40 0 CFABHN CN1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386487 176391600 /nfs/dbraw/zinc/39/16/00/176391600.db2.gz GEWFHJHWPBCSHZ-CYBMUJFWSA-N 0 3 254.337 2.987 40 0 CFABHN Cc1c[nH]nc1C1(C)CCN(Cc2ccc(O)cc2)CC1 ZINC000072388905 176393754 /nfs/dbraw/zinc/39/37/54/176393754.db2.gz CBYGERVKSCXMFY-UHFFFAOYSA-N 0 3 285.391 2.977 40 0 CFABHN CN1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000074713380 176603108 /nfs/dbraw/zinc/60/31/08/176603108.db2.gz GEPBKYFOQDGRFX-UHFFFAOYSA-N 0 3 286.297 2.986 40 0 CFABHN CCCNc1ncc(CNCCc2ccccc2)cn1 ZINC000062717679 262302407 /nfs/dbraw/zinc/30/24/07/262302407.db2.gz TWSGBHKXHHYNFV-UHFFFAOYSA-N 0 3 270.380 2.631 40 0 CFABHN Brc1cccc([C@H]2CN(C3CC3)CCN2)c1 ZINC000056894808 275373435 /nfs/dbraw/zinc/37/34/35/275373435.db2.gz FEJXCZBOTAVTHF-CYBMUJFWSA-N 0 3 281.197 2.558 40 0 CFABHN CC(C)c1ccc2nc(N3CCNCC3)sc2c1 ZINC000019946381 276059091 /nfs/dbraw/zinc/05/90/91/276059091.db2.gz FKUNPTVIMSJWNR-UHFFFAOYSA-N 0 3 261.394 2.829 40 0 CFABHN CCOC(=O)c1c(N)sc2c1CCN(CC(C)C)C2 ZINC000035572274 276296770 /nfs/dbraw/zinc/29/67/70/276296770.db2.gz STKSVFKZYPRRAA-UHFFFAOYSA-N 0 3 282.409 2.521 40 0 CFABHN CCN(CC)C[C@@H](O)c1cnc(-c2ccccc2)nc1C ZINC000001873630 528170196 /nfs/dbraw/zinc/17/01/96/528170196.db2.gz GACFZNGMCOHKSD-MRXNPFEDSA-N 0 3 285.391 2.827 40 0 CFABHN N[C@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533422 185005909 /nfs/dbraw/zinc/00/59/09/185005909.db2.gz YGJAXLRADRGUCJ-HNNXBMFYSA-N 0 3 298.321 2.571 40 0 CFABHN Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(CC3CCCC3)C2)n1 ZINC000096038931 185068740 /nfs/dbraw/zinc/06/87/40/185068740.db2.gz IKWIINQNTKQAME-RBSFLKMASA-N 0 3 291.395 2.515 40 0 CFABHN CC[C@@H]1N(Cc2ccoc2)CCC[C@]12CCC(=O)N2C ZINC000096052412 185074892 /nfs/dbraw/zinc/07/48/92/185074892.db2.gz PUEHUFVTVIQAEG-HOCLYGCPSA-N 0 3 276.380 2.645 40 0 CFABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096056790 185077154 /nfs/dbraw/zinc/07/71/54/185077154.db2.gz XKBHRIAJUFNVCY-JKSUJKDBSA-N 0 3 279.380 2.687 40 0 CFABHN CCOC[C@H]1CN(CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059977 185080565 /nfs/dbraw/zinc/08/05/65/185080565.db2.gz VDURKSXSACDKCP-MRXNPFEDSA-N 0 3 289.423 2.639 40 0 CFABHN CC(=O)N1CCCC[C@@]12CCCN(Cc1ccc(C)o1)C2 ZINC000096071905 185087006 /nfs/dbraw/zinc/08/70/06/185087006.db2.gz LRMBTYFMJFDBFG-KRWDZBQOSA-N 0 3 290.407 2.955 40 0 CFABHN Cc1ccc(CC(=O)NCCN2CCCCCC2)cc1C ZINC000026114475 346263357 /nfs/dbraw/zinc/26/33/57/346263357.db2.gz KBRPLSCIICKOAK-UHFFFAOYSA-N 0 3 288.435 2.838 40 0 CFABHN Cc1nc(CN)cc(-c2c(F)cccc2Cl)n1 ZINC000409437219 348602362 /nfs/dbraw/zinc/60/23/62/348602362.db2.gz DUFOYELJXDQIEO-UHFFFAOYSA-N 0 3 251.692 2.703 40 0 CFABHN COCCNCc1cccn1Cc1ccc(Cl)cc1 ZINC000091002127 180084123 /nfs/dbraw/zinc/08/41/23/180084123.db2.gz JYKKEBXFHHQUPI-UHFFFAOYSA-N 0 3 278.783 2.926 40 0 CFABHN Cc1cc(F)ccc1CN1CCC[C@]2(CCNC2=O)CC1 ZINC000108525131 186220962 /nfs/dbraw/zinc/22/09/62/186220962.db2.gz LVYFCSKPIVTKSR-KRWDZBQOSA-N 0 3 290.382 2.626 40 0 CFABHN Cc1ccc(F)cc1CN1CCC[C@]2(CCNC2=O)CC1 ZINC000108527002 186221067 /nfs/dbraw/zinc/22/10/67/186221067.db2.gz NRPAPJLPOQOVGR-KRWDZBQOSA-N 0 3 290.382 2.626 40 0 CFABHN CN(C)CC[C@H](C(=O)c1ccccc1)c1ccccn1 ZINC000002045644 371715161 /nfs/dbraw/zinc/71/51/61/371715161.db2.gz XXLOJSFLUAOJBP-HNNXBMFYSA-N 0 3 268.360 3.000 40 0 CFABHN CCNC(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001668200 371693665 /nfs/dbraw/zinc/69/36/65/371693665.db2.gz QNJNQRPOBNLFHP-UHFFFAOYSA-N 0 3 285.391 2.516 40 0 CFABHN Cc1cccc(Cl)c1NC(=O)CNC(C)(C)C ZINC000001671754 371694814 /nfs/dbraw/zinc/69/48/14/371694814.db2.gz FUMLJCDXXMQKGI-UHFFFAOYSA-N 0 3 254.761 2.975 40 0 CFABHN COc1ccc([C@H]2NCC[C@]3(O)CCCC[C@H]23)cc1 ZINC000002801195 371755422 /nfs/dbraw/zinc/75/54/22/371755422.db2.gz PCTOTSPQXJTUKT-BZUAXINKSA-N 0 3 261.365 2.651 40 0 CFABHN COc1ccc(CN(C)C)c([C@@H](O)c2ccccc2)c1 ZINC000005599727 371884896 /nfs/dbraw/zinc/88/48/96/371884896.db2.gz SGQKKIQRNPIHQV-KRWDZBQOSA-N 0 3 271.360 2.839 40 0 CFABHN CN(C)CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000013670800 372039057 /nfs/dbraw/zinc/03/90/57/372039057.db2.gz IGGSYRFRBDUGPB-DHZHZOJOSA-N 0 3 274.408 2.675 40 0 CFABHN c1cncc(-c2nccc(CN3CCCCC3)n2)c1 ZINC000019341323 372155706 /nfs/dbraw/zinc/15/57/06/372155706.db2.gz SRHXGSYIDIUNJN-UHFFFAOYSA-N 0 3 254.337 2.525 40 0 CFABHN CN(C)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367682 372157960 /nfs/dbraw/zinc/15/79/60/372157960.db2.gz YKMZEBJFTJPMGZ-QZTJIDSGSA-N 0 3 284.403 2.613 40 0 CFABHN Cc1ccccc1[C@@H](N)CNC(=O)OC(C)(C)C ZINC000019796160 372190056 /nfs/dbraw/zinc/19/00/56/372190056.db2.gz DOJDUUSAAOLWAQ-LBPRGKRZSA-N 0 3 250.342 2.520 40 0 CFABHN C[C@@H]1CCCCN1C[C@@H](O)COc1ccccc1Cl ZINC000026919741 372331613 /nfs/dbraw/zinc/33/16/13/372331613.db2.gz UKYJCOVBHITCED-CHWSQXEVSA-N 0 3 283.799 2.954 40 0 CFABHN C[C@H](CNCc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219079 373084812 /nfs/dbraw/zinc/08/48/12/373084812.db2.gz BNLNLNGWCVGSSX-LLVKDONJSA-N 0 3 267.344 2.893 40 0 CFABHN N[C@H](c1ccc(F)c(F)c1)[C@H](N)c1ccc(F)c(F)c1 ZINC000067794694 374001569 /nfs/dbraw/zinc/00/15/69/374001569.db2.gz JAHUVZNVYIGQKH-ZIAGYGMSSA-N 0 3 284.256 2.943 40 0 CFABHN Cc1cc(N2CCNCC2)nc(-c2cccc(Cl)c2)n1 ZINC000070451656 374177239 /nfs/dbraw/zinc/17/72/39/374177239.db2.gz DNYKVAHJDNSUNL-UHFFFAOYSA-N 0 3 288.782 2.515 40 0 CFABHN Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(C)CC2)c1 ZINC000072812991 374289824 /nfs/dbraw/zinc/28/98/24/374289824.db2.gz XXPLZRNSWDQDGQ-CQSZACIVSA-N 0 3 274.408 2.822 40 0 CFABHN CC(=O)c1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074921030 374446725 /nfs/dbraw/zinc/44/67/25/374446725.db2.gz DJNYWWPLYQCLCU-UHFFFAOYSA-N 0 3 274.364 2.560 40 0 CFABHN C[C@H](NC(=O)CC1CCN(C)CC1)c1ccccc1 ZINC000074920911 374446775 /nfs/dbraw/zinc/44/67/75/374446775.db2.gz FRMPCDRPTUVJCH-ZDUSSCGKSA-N 0 3 260.381 2.596 40 0 CFABHN CCSc1ccc(C2(O)CCN(C)CC2)cc1 ZINC000079030419 374584568 /nfs/dbraw/zinc/58/45/68/374584568.db2.gz ADZSTXBXYRLNBA-UHFFFAOYSA-N 0 3 251.395 2.712 40 0 CFABHN CC(C)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](C)N ZINC000079420956 374610710 /nfs/dbraw/zinc/61/07/10/374610710.db2.gz NQZRIFUTUOHQNI-JTQLQIEISA-N 0 3 288.313 2.790 40 0 CFABHN CC(C)N(Cc1ccc(Br)cc1)C(=O)[C@H](C)N ZINC000079420569 374610757 /nfs/dbraw/zinc/61/07/57/374610757.db2.gz YVBCTIXEVBLXAS-JTQLQIEISA-N 0 3 299.212 2.533 40 0 CFABHN C[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccccn1 ZINC000079439708 374612243 /nfs/dbraw/zinc/61/22/43/374612243.db2.gz SHSRBPGOGUWTTM-CHWSQXEVSA-N 0 3 291.395 2.742 40 0 CFABHN CC(C)N(C)Cc1cnc2n1CCN(CC1CC1)[C@H]2C ZINC000096061999 375468712 /nfs/dbraw/zinc/46/87/12/375468712.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 0 3 276.428 2.510 40 0 CFABHN CC(C)N(C)Cc1cncc2c1CCN(c1ccccn1)C2 ZINC000096067402 375469148 /nfs/dbraw/zinc/46/91/48/375469148.db2.gz KORDPPRDNVVZDF-UHFFFAOYSA-N 0 3 296.418 2.880 40 0 CFABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccsc2)N1c1cccnc1 ZINC000096184088 375474463 /nfs/dbraw/zinc/47/44/63/375474463.db2.gz SSGMXSYYQVFPNS-CABCVRRESA-N 0 3 299.399 2.523 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)o1 ZINC000096184670 375475164 /nfs/dbraw/zinc/47/51/64/375475164.db2.gz OSPRPNKBCXTZJW-MSOLQXFVSA-N 0 3 297.402 2.832 40 0 CFABHN c1coc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)c1 ZINC000096206315 375477526 /nfs/dbraw/zinc/47/75/26/375477526.db2.gz WDJLKGVIDAMMRJ-INIZCTEOSA-N 0 3 291.391 2.830 40 0 CFABHN CCO[C@@H]1CCN(Cc2ccoc2)[C@@H]1Cc1cccnc1 ZINC000096200495 375478123 /nfs/dbraw/zinc/47/81/23/375478123.db2.gz YCTPYIBKBBJYBT-IAGOWNOFSA-N 0 3 286.375 2.897 40 0 CFABHN c1coc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)c1 ZINC000096216835 375480424 /nfs/dbraw/zinc/48/04/24/375480424.db2.gz WDKXITFEYSMOQV-QGZVFWFLSA-N 0 3 298.390 2.562 40 0 CFABHN Cc1c(CNCCCOC(C)C)cnn1C(C)C ZINC000256053730 190005137 /nfs/dbraw/zinc/00/51/37/190005137.db2.gz SPIOKEIXTQUSJA-UHFFFAOYSA-N 0 3 253.390 2.677 40 0 CFABHN FC(F)(F)Cn1cc(CNCCc2ccccc2)cn1 ZINC000256050050 190002840 /nfs/dbraw/zinc/00/28/40/190002840.db2.gz CLFOHCOKTRZIFD-UHFFFAOYSA-N 0 3 283.297 2.778 40 0 CFABHN FC(F)(F)Cn1ccc(CNCCc2ccccc2)n1 ZINC000256052536 190004246 /nfs/dbraw/zinc/00/42/46/190004246.db2.gz NSPPVADEAOFTFJ-UHFFFAOYSA-N 0 3 283.297 2.778 40 0 CFABHN Cc1c[nH]c([C@H]2CCCN(CCC(F)(F)F)C2)n1 ZINC000257200722 190011055 /nfs/dbraw/zinc/01/10/55/190011055.db2.gz AEQOABXQWRHISK-JTQLQIEISA-N 0 3 261.291 2.850 40 0 CFABHN CCCCc1nc(CN2CC[C@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257252083 190020242 /nfs/dbraw/zinc/02/02/42/190020242.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 0 3 287.411 2.773 40 0 CFABHN CCCCc1ncc(CN2CC[C@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257252083 190020243 /nfs/dbraw/zinc/02/02/43/190020243.db2.gz JTMMAZWQWSKAQM-ZDUSSCGKSA-N 0 3 287.411 2.773 40 0 CFABHN c1cc([C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257260565 190022327 /nfs/dbraw/zinc/02/23/27/190022327.db2.gz LDKCYBNISURFQB-OAHLLOKOSA-N 0 3 281.359 2.675 40 0 CFABHN CN(C)c1cc([C@H]2CCCN(Cc3ccccn3)C2)ccn1 ZINC000257278364 190025883 /nfs/dbraw/zinc/02/58/83/190025883.db2.gz OBYRUEORQBNDNK-INIZCTEOSA-N 0 3 296.418 2.922 40 0 CFABHN Cc1ncsc1CN1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257296896 190028328 /nfs/dbraw/zinc/02/83/28/190028328.db2.gz REWUFBULRWJFAF-GFCCVEGCSA-N 0 3 276.409 2.629 40 0 CFABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2ccccn2)C1 ZINC000257304344 190030554 /nfs/dbraw/zinc/03/05/54/190030554.db2.gz SLEHMXAMPLHXOZ-CQSZACIVSA-N 0 3 270.380 2.568 40 0 CFABHN CNc1cc(C)nc([C@H]2CCN(Cc3ccncc3)C2)c1 ZINC000257333101 190035423 /nfs/dbraw/zinc/03/54/23/190035423.db2.gz YADWCNINSPBORK-HNNXBMFYSA-N 0 3 282.391 2.816 40 0 CFABHN CCCn1nccc1-c1cc([C@@H]2CCCN2C)nc(C)n1 ZINC000257332295 190035927 /nfs/dbraw/zinc/03/59/27/190035927.db2.gz XWQSELRXPYMEME-HNNXBMFYSA-N 0 3 285.395 2.825 40 0 CFABHN CCn1nccc1-c1cnc([C@@H]2CCCN2C(C)C)cn1 ZINC000257334475 190036269 /nfs/dbraw/zinc/03/62/69/190036269.db2.gz YGBLIMPEFMSUJM-HNNXBMFYSA-N 0 3 285.395 2.905 40 0 CFABHN CNc1cc([C@@H]2CCCN(Cc3cccn3C)C2)ccn1 ZINC000257334331 190036537 /nfs/dbraw/zinc/03/65/37/190036537.db2.gz YFLHQZYNWZQHKI-OAHLLOKOSA-N 0 3 284.407 2.841 40 0 CFABHN CCSc1ccccc1C(=O)NC1CCN(C)CC1 ZINC000113958570 376045199 /nfs/dbraw/zinc/04/51/99/376045199.db2.gz ZFIZUQVIFGUZHA-UHFFFAOYSA-N 0 3 278.421 2.623 40 0 CFABHN CC[C@H](NC(=O)C1CCN(C)CC1)c1ccc(OC)cc1 ZINC000174502365 379899355 /nfs/dbraw/zinc/89/93/55/379899355.db2.gz AYBSJEYBODMEHN-INIZCTEOSA-N 0 3 290.407 2.604 40 0 CFABHN Cc1cccc(N2CC[C@H]3[C@H]2CCN3Cc2ccccn2)n1 ZINC000306140902 382453078 /nfs/dbraw/zinc/45/30/78/382453078.db2.gz VGMMNRHFPGMNPO-DLBZAZTESA-N 0 3 294.402 2.638 40 0 CFABHN CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@@]21CCN1 ZINC000306145877 382453406 /nfs/dbraw/zinc/45/34/06/382453406.db2.gz UMRFKRRNWFFJEV-HNNXBMFYSA-N 0 3 276.336 2.615 40 0 CFABHN CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@]21CCN1 ZINC000306145878 382453501 /nfs/dbraw/zinc/45/35/01/382453501.db2.gz UMRFKRRNWFFJEV-OAHLLOKOSA-N 0 3 276.336 2.615 40 0 CFABHN Cc1c(-c2cccc(Br)c2)nc(N)n1C ZINC000199560163 382772017 /nfs/dbraw/zinc/77/20/17/382772017.db2.gz HCGBPFDAALGTRR-UHFFFAOYSA-N 0 3 266.142 2.740 40 0 CFABHN O=C1OC[C@@H]2CCN(C3CCC3)Cc3ccc(F)cc3N12 ZINC000225484379 382817101 /nfs/dbraw/zinc/81/71/01/382817101.db2.gz LUSZLRFYTACNGF-AWEZNQCLSA-N 0 3 290.338 2.909 40 0 biogenic,in-vitro CFABHN Fc1cccnc1O[C@H]1CSC2(CN(C3CCC3)C2)C1 ZINC000247556134 383183483 /nfs/dbraw/zinc/18/34/83/383183483.db2.gz XKYNEQANERQLOM-GFCCVEGCSA-N 0 3 294.395 2.712 40 0 CFABHN c1cncc(CO[C@H]2CSC3(CN(CC4CC4)C3)C2)c1 ZINC000253591417 383464317 /nfs/dbraw/zinc/46/43/17/383464317.db2.gz NCDMCQNNRTXSIO-OAHLLOKOSA-N 0 3 290.432 2.568 40 0 CFABHN CC(C)N1CCC[C@H]1c1cccc(N2CCOC2=O)n1 ZINC000257223734 383493195 /nfs/dbraw/zinc/49/31/95/383493195.db2.gz DYQBUGZGCKSWDT-ZDUSSCGKSA-N 0 3 275.352 2.584 40 0 CFABHN CC(C)N1CCC[C@H]1c1cncc(-c2ncco2)n1 ZINC000257314646 383494724 /nfs/dbraw/zinc/49/47/24/383494724.db2.gz UXWMWYXXRFVBTB-ZDUSSCGKSA-N 0 3 258.325 2.677 40 0 CFABHN CSc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717225 393627647 /nfs/dbraw/zinc/62/76/47/393627647.db2.gz RJUNUEJDDGZXBX-UHFFFAOYSA-N 0 3 277.368 2.670 40 0 CFABHN N[C@H](c1ccccc1)c1ccc(Br)nc1 ZINC000072225037 393647713 /nfs/dbraw/zinc/64/77/13/393647713.db2.gz TWEWAAAXFOATKI-GFCCVEGCSA-N 0 3 263.138 2.892 40 0 CFABHN CCOC(=O)NCc1ccc([C@H]2CCCCCN2)o1 ZINC000217461157 393756633 /nfs/dbraw/zinc/75/66/33/393756633.db2.gz JEIHOKHIEAQKMG-GFCCVEGCSA-N 0 3 266.341 2.730 40 0 CFABHN CCOc1cc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)ccc1O ZINC000001323205 286556719 /nfs/dbraw/zinc/55/67/19/286556719.db2.gz FJRAFGQYLIQWHC-XYPHTWIQSA-N 0 3 291.391 2.747 40 0 CFABHN C[C@@H]1CCCCN1C[C@H](O)COc1ccccc1Cl ZINC000006455047 170202363 /nfs/dbraw/zinc/20/23/63/170202363.db2.gz UKYJCOVBHITCED-OLZOCXBDSA-N 0 3 283.799 2.954 40 0 CFABHN O=C(OCc1ccccc1)N1CCN[C@H]2CCCC[C@@H]21 ZINC000022015682 171349669 /nfs/dbraw/zinc/34/96/69/171349669.db2.gz GZTLXXIGRCPQDZ-GJZGRUSLSA-N 0 3 274.364 2.540 40 0 CFABHN OCc1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)o1 ZINC000035446639 172202945 /nfs/dbraw/zinc/20/29/45/172202945.db2.gz NGCBPZRTJIOLNE-LBPRGKRZSA-N 0 3 297.358 2.638 40 0 biogenic,in-vitro CFABHN O[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000038539843 174145327 /nfs/dbraw/zinc/14/53/27/174145327.db2.gz DMSNRIJBUKGIEE-GFCCVEGCSA-N 0 3 259.271 2.662 40 0 CFABHN CCCc1ccc2nc(N3CCNCC3)sc2c1 ZINC000072209856 176342795 /nfs/dbraw/zinc/34/27/95/176342795.db2.gz FKKASEHDIKDFNJ-UHFFFAOYSA-N 0 3 261.394 2.658 40 0 CFABHN Cc1cccc(CN2CC[C@H](c3nc(C)cc(C)n3)C2)n1 ZINC000072369721 176384388 /nfs/dbraw/zinc/38/43/88/176384388.db2.gz QQROMQMKZRNMCF-HNNXBMFYSA-N 0 3 282.391 2.786 40 0 CFABHN Cc1cn[nH]c1[C@H]1CCCN1Cc1cccc(C)n1 ZINC000072385799 176390570 /nfs/dbraw/zinc/39/05/70/176390570.db2.gz LTQJMZFEEYNFNT-CQSZACIVSA-N 0 3 256.353 2.759 40 0 CFABHN COCCN[C@@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406162 177338468 /nfs/dbraw/zinc/33/84/68/177338468.db2.gz OGRGTVAVJABOGA-AWEZNQCLSA-N 0 3 258.365 2.833 40 0 CFABHN CN1CCC(NC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000078422962 177340303 /nfs/dbraw/zinc/34/03/03/177340303.db2.gz CVNYOSWXEUGFKA-UHFFFAOYSA-N 0 3 298.839 2.643 40 0 CFABHN CSc1ccc(CN(C(=O)[C@@H](N)C(C)C)C2CC2)cc1 ZINC000079420667 177487867 /nfs/dbraw/zinc/48/78/67/177487867.db2.gz ZOOLRILSYJFOFV-HNNXBMFYSA-N 0 3 292.448 2.883 40 0 CFABHN CCCCOCCCNCc1cnc(SCC)nc1 ZINC000062717323 262298908 /nfs/dbraw/zinc/29/89/08/262298908.db2.gz BRMLKIQSOCGNLR-UHFFFAOYSA-N 0 3 283.441 2.885 40 0 CFABHN Brc1cccc([C@H]2CSCCN2)c1 ZINC000070587931 275373241 /nfs/dbraw/zinc/37/32/41/275373241.db2.gz YWMWTUQFDMCQBY-SNVBAGLBSA-N 0 3 258.184 2.827 40 0 CFABHN CCN1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 ZINC000096049589 279382719 /nfs/dbraw/zinc/38/27/19/279382719.db2.gz FYXTXTIEKNVLCG-MRXNPFEDSA-N 0 3 294.464 2.682 40 0 CFABHN Cc1ccc(CN2CCNC[C@H]2c2ccccc2)cn1 ZINC000086177784 524463597 /nfs/dbraw/zinc/46/35/97/524463597.db2.gz WENINCGHPHGZPN-KRWDZBQOSA-N 0 3 267.376 2.537 40 0 CFABHN C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905389 525855602 /nfs/dbraw/zinc/85/56/02/525855602.db2.gz NEPDTEDKCCEHIC-STQMWFEESA-N 0 3 273.298 2.679 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@H](c2nccs2)C1 ZINC000157024551 230394921 /nfs/dbraw/zinc/39/49/21/230394921.db2.gz HMVNNHOSNVXVEI-ZDUSSCGKSA-N 0 3 290.436 2.873 40 0 CFABHN N[C@@H](c1nc(COc2ccc(F)cc2)n[nH]1)c1ccccc1 ZINC000095533423 185005638 /nfs/dbraw/zinc/00/56/38/185005638.db2.gz YGJAXLRADRGUCJ-OAHLLOKOSA-N 0 3 298.321 2.571 40 0 CFABHN COc1ccc(-c2nc([C@H](N)c3ccc(C)cc3)n[nH]2)cc1 ZINC000095534083 185007467 /nfs/dbraw/zinc/00/74/67/185007467.db2.gz LWHJIBCYNVVUGZ-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN CCc1ccc(CN2CCC[C@]3(CCC(=O)N3)[C@@H]2CC)o1 ZINC000096038493 185068657 /nfs/dbraw/zinc/06/86/57/185068657.db2.gz PNONEQFZGDLNNP-RDJZCZTQSA-N 0 3 290.407 2.865 40 0 CFABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096039329 185069772 /nfs/dbraw/zinc/06/97/72/185069772.db2.gz DEJDKHNIGFFHTQ-DLBZAZTESA-N 0 3 293.407 2.996 40 0 CFABHN CO[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048130 185073151 /nfs/dbraw/zinc/07/31/51/185073151.db2.gz RAEPJWAAWBEKTE-CYBMUJFWSA-N 0 3 267.394 2.518 40 0 CFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096056715 185077098 /nfs/dbraw/zinc/07/70/98/185077098.db2.gz SNXMDLDSVAGHFS-SJORKVTESA-N 0 3 293.382 2.843 40 0 CFABHN c1ccc(CN2CCC3(CN(Cc4ccccn4)C3)C2)cc1 ZINC000096070801 185086213 /nfs/dbraw/zinc/08/62/13/185086213.db2.gz PMIZXDHMUAYZPS-UHFFFAOYSA-N 0 3 293.414 2.790 40 0 CFABHN CCC(=O)N1CC[C@]2(c3ccccc3)CCN(CC)[C@@H]2C1 ZINC000096083407 185092733 /nfs/dbraw/zinc/09/27/33/185092733.db2.gz RIUVUINPIUCPPW-AEFFLSMTSA-N 0 3 286.419 2.661 40 0 CFABHN CC[C@H]1N(Cc2cccs2)CCC[C@]12CCC(=O)N2 ZINC000096100123 185098217 /nfs/dbraw/zinc/09/82/17/185098217.db2.gz RTKRQVDUPQYPAE-HIFRSBDPSA-N 0 3 278.421 2.771 40 0 CFABHN CO[C@H]1COC2(C1)CCN(Cc1ccc(C)s1)CC2 ZINC000096106523 185098413 /nfs/dbraw/zinc/09/84/13/185098413.db2.gz LJDWJGANVVQYIX-CYBMUJFWSA-N 0 3 281.421 2.826 40 0 CFABHN CO[C@H]1CO[C@]2(C1)CCCN(Cc1sccc1C)C2 ZINC000096107195 185099550 /nfs/dbraw/zinc/09/95/50/185099550.db2.gz DPSBOGRFAIEPFT-HIFRSBDPSA-N 0 3 281.421 2.826 40 0 CFABHN CC(C)(C)OC(=O)N([C@@H](C(=N)NO)C1CCCC1)C1CC1 ZINC000409439807 348601954 /nfs/dbraw/zinc/60/19/54/348601954.db2.gz IPTHRWSUHXKIEH-GFCCVEGCSA-N 0 3 297.399 2.901 40 0 CFABHN CN1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2 ZINC000585102350 348734186 /nfs/dbraw/zinc/73/41/86/348734186.db2.gz XVSVVIKJSOUOHH-SFHVURJKSA-N 0 3 295.386 2.545 40 0 CFABHN CCCCn1cc(CN2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000585181901 348737932 /nfs/dbraw/zinc/73/79/32/348737932.db2.gz GIEKDUGHGZOZBT-AWEZNQCLSA-N 0 3 287.411 2.704 40 0 CFABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108535629 186221742 /nfs/dbraw/zinc/22/17/42/186221742.db2.gz CRHJRCCHXPVQGF-RHSMWYFYSA-N 0 3 290.382 2.564 40 0 CFABHN Cc1ccccc1CN1CCC[C@]2(CCN(C)C2=O)CC1 ZINC000108532650 186222071 /nfs/dbraw/zinc/22/20/71/186222071.db2.gz WKFHNNALVZPCSH-SFHVURJKSA-N 0 3 286.419 2.829 40 0 CFABHN CC(C)c1ccccc1OC[C@@H](O)CN1CCCC1 ZINC000001475850 371677137 /nfs/dbraw/zinc/67/71/37/371677137.db2.gz RVDKJWPICJKRAQ-AWEZNQCLSA-N 0 3 263.381 2.646 40 0 CFABHN CC(=O)Nc1ccc(C(=O)CCN2CCCCC2)cc1 ZINC000001848505 371708329 /nfs/dbraw/zinc/70/83/29/371708329.db2.gz PNKYXZKNXQZGEF-UHFFFAOYSA-N 0 3 274.364 2.704 40 0 CFABHN CN(C)CC[C@@H](C(=O)c1ccccc1)c1ccccn1 ZINC000001675608 371696470 /nfs/dbraw/zinc/69/64/70/371696470.db2.gz XXLOJSFLUAOJBP-OAHLLOKOSA-N 0 3 268.360 3.000 40 0 CFABHN O[C@@H](CN1CCCCC1)c1cc(-c2ccccc2)no1 ZINC000003636719 371814413 /nfs/dbraw/zinc/81/44/13/371814413.db2.gz LWJVXOXWJLSVQO-HNNXBMFYSA-N 0 3 272.348 2.861 40 0 CFABHN COc1cc(OC)c(OC)cc1/C=C/C1=CCN(C)CC1 ZINC000012143032 371945746 /nfs/dbraw/zinc/94/57/46/371945746.db2.gz DIZHBZYKRFPOFA-AATRIKPKSA-N 0 3 289.375 2.988 40 0 CFABHN c1coc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)c1 ZINC000022862527 372245738 /nfs/dbraw/zinc/24/57/38/372245738.db2.gz MPUJOCXZNNCUCE-XHSDSOJGSA-N 0 3 272.392 2.609 40 0 CFABHN CC(C)O[C@@H](CN)c1cccc(Br)c1 ZINC000043023094 372973372 /nfs/dbraw/zinc/97/33/72/372973372.db2.gz VXGCNHSBPUNINC-NSHDSACASA-N 0 3 258.159 2.874 40 0 CFABHN C[C@H]1C[C@H](C)CN(CCNC(=O)c2cccc(F)c2)C1 ZINC000046882585 373068540 /nfs/dbraw/zinc/06/85/40/373068540.db2.gz ZAIPCXQIUVHFBS-STQMWFEESA-N 0 3 278.371 2.533 40 0 CFABHN OCCN(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000048065402 373141060 /nfs/dbraw/zinc/14/10/60/373141060.db2.gz FKLLYZIOIFHALT-UHFFFAOYSA-N 0 3 259.271 2.662 40 0 CFABHN CN1CCC[C@@]2(CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000063527647 373809084 /nfs/dbraw/zinc/80/90/84/373809084.db2.gz QQIQCYVVOWTDFJ-GOSISDBHSA-N 0 3 286.419 2.564 40 0 CFABHN O[C@@H]([C@@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000071790109 374224889 /nfs/dbraw/zinc/22/48/89/374224889.db2.gz LPHOHFFMCAPPFF-OLZOCXBDSA-N 0 3 273.298 2.822 40 0 CFABHN CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C)n1 ZINC000072376605 374246764 /nfs/dbraw/zinc/24/67/64/374246764.db2.gz GJRNZGXYNFUHFR-OAHLLOKOSA-N 0 3 282.391 2.976 40 0 CFABHN Cc1ccc(Cl)cc1NC(=O)C1CCN(C)CC1 ZINC000074713350 374434436 /nfs/dbraw/zinc/43/44/36/374434436.db2.gz UPCGKUBFUXDKSU-UHFFFAOYSA-N 0 3 266.772 2.929 40 0 CFABHN CC(C)N(Cc1ccccc1Br)C(=O)[C@H](C)N ZINC000079420935 374610772 /nfs/dbraw/zinc/61/07/72/374610772.db2.gz ACSUWCUNKLSXEK-JTQLQIEISA-N 0 3 299.212 2.533 40 0 CFABHN Cc1ccsc1CN(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079436458 374611589 /nfs/dbraw/zinc/61/15/89/374611589.db2.gz XCNSBCWOHNZQMM-ZDUSSCGKSA-N 0 3 266.410 2.531 40 0 CFABHN CN1C(=O)CCC[C@@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096049963 375468818 /nfs/dbraw/zinc/46/88/18/375468818.db2.gz XKAMIBCKRNUJLU-KRWDZBQOSA-N 0 3 290.382 2.803 40 0 CFABHN CC(C)CCn1cc(-c2nc(CN)cs2)cn1 ZINC000095093939 375412755 /nfs/dbraw/zinc/41/27/55/375412755.db2.gz IDFCNURQEIRILN-UHFFFAOYSA-N 0 3 250.371 2.511 40 0 CFABHN CCO[C@@H]1COC2(C1)CCN(Cc1cccc(C)n1)CC2 ZINC000096158736 375472093 /nfs/dbraw/zinc/47/20/93/375472093.db2.gz JINVEPGLBKPJIN-INIZCTEOSA-N 0 3 290.407 2.550 40 0 CFABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096158726 375472110 /nfs/dbraw/zinc/47/21/10/375472110.db2.gz OEACUCNNOQVEQP-INIZCTEOSA-N 0 3 293.382 2.986 40 0 CFABHN CN1CCC[C@@]2(CCN(C(=O)Nc3ccccc3)C2)C1 ZINC000096215243 375477817 /nfs/dbraw/zinc/47/78/17/375477817.db2.gz IAFKXCQCEDZPEP-MRXNPFEDSA-N 0 3 273.380 2.636 40 0 CFABHN Fc1ccc(-c2cc(N3CCNCC3)nc(C3CC3)n2)cc1 ZINC000096516926 375489914 /nfs/dbraw/zinc/48/99/14/375489914.db2.gz RRTIBNRHMIEGRJ-UHFFFAOYSA-N 0 3 298.365 2.570 40 0 CFABHN CC(C)n1nc(C2CC2)cc1CNC[C@@H]1CCCO1 ZINC000256054342 190005435 /nfs/dbraw/zinc/00/54/35/190005435.db2.gz VYBNOXUKJZHJRI-AWEZNQCLSA-N 0 3 263.385 2.610 40 0 CFABHN Cc1c(CN2CCC[C@H](Cc3ccc(C)nc3)C2)cnn1C ZINC000257218259 190014229 /nfs/dbraw/zinc/01/42/29/190014229.db2.gz DCKSYAKJDOGYLH-QGZVFWFLSA-N 0 3 298.434 2.887 40 0 CFABHN Cc1cnc(Nc2cc(C)nc([C@@H]3CCCN3)n2)s1 ZINC000257240629 190018190 /nfs/dbraw/zinc/01/81/90/190018190.db2.gz HUKFDVVHIFIUQI-JTQLQIEISA-N 0 3 275.381 2.718 40 0 CFABHN CN(C)c1nc([C@H]2CCCN2CC2CC2)cn2cccc12 ZINC000257251404 190020409 /nfs/dbraw/zinc/02/04/09/190020409.db2.gz JQQAGPMPXAINOK-OAHLLOKOSA-N 0 3 284.407 2.947 40 0 CFABHN CCCn1nccc1-c1cc([C@@H]2CCCCN2)nc(C)n1 ZINC000257253911 190020458 /nfs/dbraw/zinc/02/04/58/190020458.db2.gz KATSCNGHKFITEK-ZDUSSCGKSA-N 0 3 285.395 2.873 40 0 CFABHN Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN3)n2)n1 ZINC000257282756 190026548 /nfs/dbraw/zinc/02/65/48/190026548.db2.gz OVEFSLKDQKDBOZ-LBPRGKRZSA-N 0 3 269.352 2.657 40 0 CFABHN Cc1cccc(Nc2cc(C)nc([C@H]3CCCN3)n2)n1 ZINC000257282755 190026621 /nfs/dbraw/zinc/02/66/21/190026621.db2.gz OVEFSLKDQKDBOZ-GFCCVEGCSA-N 0 3 269.352 2.657 40 0 CFABHN Nc1nccnc1C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000257311611 190032153 /nfs/dbraw/zinc/03/21/53/190032153.db2.gz UKHKAAJZXRBVFP-OAHLLOKOSA-N 0 3 282.391 2.514 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2ncccc2C)C1 ZINC000257337097 190035999 /nfs/dbraw/zinc/03/59/99/190035999.db2.gz YRIJVOHJPJGJMB-CQSZACIVSA-N 0 3 270.380 2.801 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccncc2)C1 ZINC000114295303 376056275 /nfs/dbraw/zinc/05/62/75/376056275.db2.gz HRVKCBKFPSDJGL-LBPRGKRZSA-N 0 3 263.341 2.503 40 0 CFABHN CCN(CC)[C@H](CN)c1ccccc1OC(F)(F)F ZINC000019255088 284811299 /nfs/dbraw/zinc/81/12/99/284811299.db2.gz ALGYGDZFSQOXAW-LLVKDONJSA-N 0 3 276.302 2.927 40 0 CFABHN Cc1ccnc([C@H]2CCN(Cc3ccsc3)C2)n1 ZINC000205693848 382773732 /nfs/dbraw/zinc/77/37/32/382773732.db2.gz WJNNLNMGHIRLCA-ZDUSSCGKSA-N 0 3 259.378 2.836 40 0 CFABHN Cc1ccc(-c2ccc3nnc([C@H](N)C(C)C)n3n2)cc1 ZINC000217564435 382786983 /nfs/dbraw/zinc/78/69/83/382786983.db2.gz YHOZYWWCQNNIOA-OAHLLOKOSA-N 0 3 281.363 2.756 40 0 CFABHN OC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000070453071 285272433 /nfs/dbraw/zinc/27/24/33/285272433.db2.gz BVUQQTRTHFEGGK-LBPRGKRZSA-N 0 3 259.271 2.835 40 0 CFABHN CC(C)N1CCCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216243 256710728 /nfs/dbraw/zinc/71/07/28/256710728.db2.gz FYMPNMKYTDBKDR-INIZCTEOSA-N 0 3 289.423 2.854 40 0 CFABHN CSc1ncc(CNCCc2ccccc2)cn1 ZINC000062717206 256722232 /nfs/dbraw/zinc/72/22/32/256722232.db2.gz CQTUHMDADJQHSA-UHFFFAOYSA-N 0 3 259.378 2.531 40 0 CFABHN CCCCOCCCNCc1cnc(NC(C)C)nc1 ZINC000062717642 262302472 /nfs/dbraw/zinc/30/24/72/262302472.db2.gz ARJMDYVPPRMNGS-UHFFFAOYSA-N 0 3 280.416 2.593 40 0 CFABHN CN(C)CCN(CCc1ccccc1)Cc1ccncc1 ZINC000022913735 393490225 /nfs/dbraw/zinc/49/02/25/393490225.db2.gz TVMILAZOPDNKDS-UHFFFAOYSA-N 0 3 283.419 2.688 40 0 CFABHN Cc1cc(N2CCNCC2)c2cc(Cl)cc(C)c2n1 ZINC000068136531 393634544 /nfs/dbraw/zinc/63/45/44/393634544.db2.gz XYAAYERZZZMLIK-UHFFFAOYSA-N 0 3 275.783 2.915 40 0 CFABHN C[C@H]1CCCN([C@@H](CN)c2cncc(Br)c2)C1 ZINC000096511153 393836290 /nfs/dbraw/zinc/83/62/90/393836290.db2.gz IGLNQGPKWSTJQT-GWCFXTLKSA-N 0 3 298.228 2.576 40 0 CFABHN O=C1Nc2ccccc2C12CCN(Cc1cccnc1)CC2 ZINC000096052479 393814655 /nfs/dbraw/zinc/81/46/55/393814655.db2.gz KOWSRCIRSWPHJQ-UHFFFAOYSA-N 0 3 293.370 2.568 40 0 CFABHN CC(=O)N1CCN(C2CCCC2)C[C@@H]1c1ccccc1 ZINC000257343394 393945010 /nfs/dbraw/zinc/94/50/10/393945010.db2.gz ZSVNBXYQWJAUNZ-QGZVFWFLSA-N 0 3 272.392 2.834 40 0 CFABHN CCOCC[C@H]1Cn2cccc2CN(C2CCC2)C1 ZINC000585095597 395100485 /nfs/dbraw/zinc/10/04/85/395100485.db2.gz ZPILDNFUOMWSLP-AWEZNQCLSA-N 0 3 262.397 2.899 40 0 CFABHN CC1CCN(CCCOc2cccc(C=O)c2)CC1 ZINC000009261543 170369560 /nfs/dbraw/zinc/36/95/60/170369560.db2.gz BTHYDUUQCFPJKV-UHFFFAOYSA-N 0 3 261.365 3.000 40 0 CFABHN NCc1cc(-c2ccc(Cl)c(Cl)c2)ncn1 ZINC000020384118 171175037 /nfs/dbraw/zinc/17/50/37/171175037.db2.gz VLUGPGARMCVYQE-UHFFFAOYSA-N 0 3 254.120 2.909 40 0 CFABHN CC1CCN([C@H](CN)c2cc(F)ccc2F)CC1 ZINC000037233431 173052201 /nfs/dbraw/zinc/05/22/01/173052201.db2.gz OXNLKJINUHAKGM-CQSZACIVSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1nccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072351181 176374204 /nfs/dbraw/zinc/37/42/04/176374204.db2.gz IBKOFXINEPOVQX-HNNXBMFYSA-N 0 3 268.364 2.560 40 0 CFABHN CC(C)N1CCC[C@@H](c2nccnc2-c2cncnc2)C1 ZINC000072358411 176376123 /nfs/dbraw/zinc/37/61/23/176376123.db2.gz NDXSQFFCKDNLBC-CYBMUJFWSA-N 0 3 283.379 2.521 40 0 CFABHN CNc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072363796 176378561 /nfs/dbraw/zinc/37/85/61/176378561.db2.gz JUYDMCJDPKHZHI-UHFFFAOYSA-N 0 3 282.391 2.898 40 0 CFABHN Cc1cc(-c2ccc(CO)cc2)nc([C@H]2CCCN(C)C2)n1 ZINC000072365265 176380660 /nfs/dbraw/zinc/38/06/60/176380660.db2.gz VVPXENVZLYOGFJ-INIZCTEOSA-N 0 3 297.402 2.754 40 0 CFABHN CN1CCCC[C@@H]1c1ccc(Nc2cnccn2)nc1 ZINC000072372053 176384143 /nfs/dbraw/zinc/38/41/43/176384143.db2.gz JDDGSYJRHQQLGU-CYBMUJFWSA-N 0 3 269.352 2.772 40 0 CFABHN CCc1nccn1-c1cccc([C@@H]2CCCN2C)n1 ZINC000072379095 176385840 /nfs/dbraw/zinc/38/58/40/176385840.db2.gz JEPHHNIZGYLMIY-ZDUSSCGKSA-N 0 3 256.353 2.596 40 0 CFABHN c1ccc(CCN2CC(c3[nH]nc4ncccc43)C2)cc1 ZINC000072385009 176389366 /nfs/dbraw/zinc/38/93/66/176389366.db2.gz TZPUXCQHJBHWIE-UHFFFAOYSA-N 0 3 278.359 2.600 40 0 CFABHN c1ncc(CN2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072143 275075478 /nfs/dbraw/zinc/07/54/78/275075478.db2.gz QPFYVCWUWTUOQR-DOTOQJQBSA-N 0 3 283.375 2.558 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1nccc2ccccc21)C(C)C ZINC000079422215 280271921 /nfs/dbraw/zinc/27/19/21/280271921.db2.gz JELMZQWRRFRPBR-KRWDZBQOSA-N 0 3 299.418 2.955 40 0 CFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000095533640 185005995 /nfs/dbraw/zinc/00/59/95/185005995.db2.gz RZBAHBOEMJGCNS-AWEZNQCLSA-N 0 3 298.321 2.668 40 0 CFABHN CC[C@@H]1N(Cc2ccco2)CCC[C@]12CCC(=O)N2C ZINC000096052410 185074002 /nfs/dbraw/zinc/07/40/02/185074002.db2.gz RLYZBHIIMHWLCC-HOCLYGCPSA-N 0 3 276.380 2.645 40 0 CFABHN Cc1ccc(CN2CCC[C@]3(CCCC(=O)N3)C2)s1 ZINC000096049941 185074675 /nfs/dbraw/zinc/07/46/75/185074675.db2.gz DSXCFCMLQAHBJF-OAHLLOKOSA-N 0 3 278.421 2.691 40 0 CFABHN Cc1ccc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)o1 ZINC000096053792 185075978 /nfs/dbraw/zinc/07/59/78/185075978.db2.gz FODQKOBDPUAGEG-HZPDHXFCSA-N 0 3 297.402 2.547 40 0 CFABHN O=C1C[C@@H]2[C@H](CCN2Cc2cccs2)N1c1cccnc1 ZINC000096110716 185100622 /nfs/dbraw/zinc/10/06/22/185100622.db2.gz WWVOHISVKDPBNM-LSDHHAIUSA-N 0 3 299.399 2.523 40 0 CFABHN C[C@H]1CN([C@@H](CN)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000036101124 346322270 /nfs/dbraw/zinc/32/22/70/346322270.db2.gz WWWMEEMLFPNBKO-KWBADKCTSA-N 0 3 286.778 2.588 40 0 CFABHN Cc1cccc(CN2CCNC[C@@H]2c2ccccc2)n1 ZINC000086177652 179246819 /nfs/dbraw/zinc/24/68/19/179246819.db2.gz MBGLJBSUOJALGA-QGZVFWFLSA-N 0 3 267.376 2.537 40 0 CFABHN Cc1nc(CN)cc(-c2ccc(F)cc2Cl)n1 ZINC000409437377 348602467 /nfs/dbraw/zinc/60/24/67/348602467.db2.gz FVTSLOLHLVAWSL-UHFFFAOYSA-N 0 3 251.692 2.703 40 0 CFABHN O=C(Nc1nc([C@@H]2CCCN2)cs1)c1ccc(F)cc1 ZINC000585266537 348738925 /nfs/dbraw/zinc/73/89/25/348738925.db2.gz CZCJPIBXGSPXGT-NSHDSACASA-N 0 3 291.351 2.959 40 0 CFABHN CN1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 ZINC000585109331 348734284 /nfs/dbraw/zinc/73/42/84/348734284.db2.gz JQWFYRISVXHERZ-SOUVJXGZSA-N 0 3 272.392 2.549 40 0 CFABHN COCC[C@@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585102607 348734522 /nfs/dbraw/zinc/73/45/22/348734522.db2.gz CABCSTGVFSCAFZ-OAHLLOKOSA-N 0 3 279.380 2.687 40 0 CFABHN Cc1ccc(C[C@H]2CCCN(Cc3cnn(C)c3)C2)cn1 ZINC000585181340 348738010 /nfs/dbraw/zinc/73/80/10/348738010.db2.gz OQYONURKQVOSQI-MRXNPFEDSA-N 0 3 284.407 2.578 40 0 CFABHN CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(CC)[C@H]2C1 ZINC000107805956 186193105 /nfs/dbraw/zinc/19/31/05/186193105.db2.gz RIUVUINPIUCPPW-FUHWJXTLSA-N 0 3 286.419 2.661 40 0 CFABHN Cc1cc(F)ccc1CN1CCC[C@@]2(CCNC2=O)CC1 ZINC000108525135 186221016 /nfs/dbraw/zinc/22/10/16/186221016.db2.gz LVYFCSKPIVTKSR-QGZVFWFLSA-N 0 3 290.382 2.626 40 0 CFABHN O=C1NCC[C@]12CCCN(Cc1ccc(Cl)cc1)CC2 ZINC000108535254 186221894 /nfs/dbraw/zinc/22/18/94/186221894.db2.gz STDMBEIVWXSYQL-INIZCTEOSA-N 0 3 292.810 2.832 40 0 CFABHN Cc1cn(C)c([C@H]2CCN(Cc3ccsc3)C2)n1 ZINC000205707015 540880888 /nfs/dbraw/zinc/88/08/88/540880888.db2.gz ZZGRZONQNWBIQH-ZDUSSCGKSA-N 0 3 261.394 2.780 40 0 CFABHN Cc1ccc(C(=O)CSC2=NCCN2)cc1Cl ZINC000001591220 371684660 /nfs/dbraw/zinc/68/46/60/371684660.db2.gz DZKNLHMLLFLQQO-UHFFFAOYSA-N 0 3 268.769 2.524 40 0 CFABHN CSc1[nH]nc(N(C(C)C)C(C)C)c2ncnc1-2 ZINC000001692106 371699029 /nfs/dbraw/zinc/69/90/29/371699029.db2.gz VWWXNIROLRUVKC-UHFFFAOYSA-N 0 3 265.386 2.698 40 0 CFABHN CC(=O)NC1CCN(CC2(c3ccc(C)cc3)CC2)CC1 ZINC000019208323 372151043 /nfs/dbraw/zinc/15/10/43/372151043.db2.gz XOLJXDGMBRUGGE-UHFFFAOYSA-N 0 3 286.419 2.627 40 0 CFABHN C[C@H](Cn1cccn1)NCc1cn(C)c2cc(F)ccc12 ZINC000019457688 372165263 /nfs/dbraw/zinc/16/52/63/372165263.db2.gz LOIJKOCJTAAEHW-GFCCVEGCSA-N 0 3 286.354 2.692 40 0 CFABHN Cc1ccccc1[C@H](N)CNC(=O)OC(C)(C)C ZINC000019796163 372189640 /nfs/dbraw/zinc/18/96/40/372189640.db2.gz DOJDUUSAAOLWAQ-GFCCVEGCSA-N 0 3 250.342 2.520 40 0 CFABHN c1ccc2c(c1)CCN[C@H]2[C@H]1NCCc2ccccc21 ZINC000023477233 372260738 /nfs/dbraw/zinc/26/07/38/372260738.db2.gz NDHNLLQPMVDMRO-HDICACEKSA-N 0 3 264.372 2.760 40 0 CFABHN CCC(C)(C)OC[C@H](O)CN1CCc2ccccc2C1 ZINC000028295252 372364512 /nfs/dbraw/zinc/36/45/12/372364512.db2.gz NOKMVAIAFJMYST-MRXNPFEDSA-N 0 3 277.408 2.611 40 0 CFABHN Fc1ccccc1-c1noc(NCCCN2CCCC2)n1 ZINC000033265819 372487966 /nfs/dbraw/zinc/48/79/66/372487966.db2.gz OFZOUXYADRTJCN-UHFFFAOYSA-N 0 3 290.342 2.774 40 0 CFABHN CCOc1ccccc1[C@@H](CN)N1CCC[C@H](C)C1 ZINC000036092740 372556532 /nfs/dbraw/zinc/55/65/32/372556532.db2.gz BIRDXGURJZQORM-DZGCQCFKSA-N 0 3 262.397 2.817 40 0 CFABHN CCN[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000041609146 372852524 /nfs/dbraw/zinc/85/25/24/372852524.db2.gz QHHVZFYRRDYLJB-MRVPVSSYSA-N 0 3 256.143 2.630 40 0 in-vitro CFABHN CC(C)(C)c1nnc([C@H]2CCN(Cc3ccncc3)C2)o1 ZINC000049170660 373275567 /nfs/dbraw/zinc/27/55/67/373275567.db2.gz DKRKHEWOWZXQKY-ZDUSSCGKSA-N 0 3 286.379 2.752 40 0 biogenic,in-vitro CFABHN N[C@@H](c1ccccc1)c1cncc(Br)c1 ZINC000057343887 373587999 /nfs/dbraw/zinc/58/79/99/373587999.db2.gz RJPSANYVKQLMSV-LBPRGKRZSA-N 0 3 263.138 2.892 40 0 CFABHN CN1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000074713347 374434666 /nfs/dbraw/zinc/43/46/66/374434666.db2.gz HDVFKDCTFBLIGZ-UHFFFAOYSA-N 0 3 252.745 2.620 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1c(Cl)cccc1Cl ZINC000079420354 374609266 /nfs/dbraw/zinc/60/92/66/374609266.db2.gz SFAYRJGMRCFOSR-LBPRGKRZSA-N 0 3 289.206 2.935 40 0 CFABHN CC(C)[C@H](N)C(=O)NCc1c(Cl)cccc1Cl ZINC000079420342 374610555 /nfs/dbraw/zinc/61/05/55/374610555.db2.gz AGLAZYNNNCSGAK-NSHDSACASA-N 0 3 275.179 2.593 40 0 CFABHN CCCCCn1cc(-c2nc(CN)cs2)cn1 ZINC000095093935 375413012 /nfs/dbraw/zinc/41/30/12/375413012.db2.gz WUQFFLVOPNDCDQ-UHFFFAOYSA-N 0 3 250.371 2.656 40 0 CFABHN Cc1cccc(N2CC[C@H]3[C@@H]2CCN3Cc2ccccn2)n1 ZINC000096184720 375474795 /nfs/dbraw/zinc/47/47/95/375474795.db2.gz VGMMNRHFPGMNPO-IRXDYDNUSA-N 0 3 294.402 2.638 40 0 CFABHN Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000096184416 375475191 /nfs/dbraw/zinc/47/51/91/375475191.db2.gz BYAOAOJOFVSJQN-UONOGXRCSA-N 0 3 290.432 2.755 40 0 CFABHN Cn1nc(C(F)(F)F)cc1CNCCc1ccccc1 ZINC000256052218 190004475 /nfs/dbraw/zinc/00/44/75/190004475.db2.gz MLAITPFMSTXTLJ-UHFFFAOYSA-N 0 3 283.297 2.771 40 0 CFABHN Cc1cc(C)nc([C@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257254249 190020777 /nfs/dbraw/zinc/02/07/77/190020777.db2.gz KCIBXFXBRYFYBJ-HNNXBMFYSA-N 0 3 282.391 2.786 40 0 CFABHN CC(C)N1CC2(C1)CO[C@H](Cc1cccc(F)c1)C2 ZINC000257235480 190017387 /nfs/dbraw/zinc/01/73/87/190017387.db2.gz GYAQMPVTWAXYIH-OAHLLOKOSA-N 0 3 263.356 2.868 40 0 CFABHN COc1ccccc1[C@@H]1CNCCN1Cc1ccc(C)nc1 ZINC000257239199 190017531 /nfs/dbraw/zinc/01/75/31/190017531.db2.gz HOIIARYTTHXBIR-KRWDZBQOSA-N 0 3 297.402 2.545 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000257248993 190020277 /nfs/dbraw/zinc/02/02/77/190020277.db2.gz JGFDVILQQOYRBQ-CYBMUJFWSA-N 0 3 289.354 2.726 40 0 CFABHN c1ncc(CN2CCC[C@H](Cc3ccccn3)C2)s1 ZINC000257306991 190031420 /nfs/dbraw/zinc/03/14/20/190031420.db2.gz SWUVDBVJVRDCBA-CYBMUJFWSA-N 0 3 273.405 2.993 40 0 CFABHN CC(C)n1ccnc1CN1CCNC[C@@H]1c1ccccc1 ZINC000257300056 190029273 /nfs/dbraw/zinc/02/92/73/190029273.db2.gz RSSHOIAWCDJONI-MRXNPFEDSA-N 0 3 284.407 2.611 40 0 CFABHN Cc1ncc(-c2nccnc2[C@@H]2CCCN(C(C)C)C2)n1C ZINC000257298572 190029435 /nfs/dbraw/zinc/02/94/35/190029435.db2.gz RMIBPNNTSWYKLT-CQSZACIVSA-N 0 3 299.422 2.773 40 0 CFABHN CCn1cc(CN2CCC[C@H](c3ccnc(NC)c3)C2)cn1 ZINC000257298091 190029703 /nfs/dbraw/zinc/02/97/03/190029703.db2.gz RKCHYZGFQJOMPX-INIZCTEOSA-N 0 3 299.422 2.719 40 0 CFABHN CCCCN1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216227 393644932 /nfs/dbraw/zinc/64/49/32/393644932.db2.gz GGZJFEUWMFNSKO-MRXNPFEDSA-N 0 3 289.423 2.855 40 0 CFABHN O=C1Oc2ccccc2[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000080274214 393725316 /nfs/dbraw/zinc/72/53/16/393725316.db2.gz BSSJUCACDKXHPW-JKSUJKDBSA-N 0 3 279.339 2.821 40 0 CFABHN CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2 ZINC000096052396 393814909 /nfs/dbraw/zinc/81/49/09/393814909.db2.gz XHVCIJQZOOOMMH-RDJZCZTQSA-N 0 3 290.382 2.849 40 0 CFABHN COc1cc(C=O)ccc1OCCN1C[C@@H](C)C[C@H](C)C1 ZINC000009261308 170369232 /nfs/dbraw/zinc/36/92/32/170369232.db2.gz UHWHRUXWSVWVIU-KBPBESRZSA-N 0 3 291.391 2.864 40 0 CFABHN CN(C)CCNC(=O)CCc1ccc(Cl)cc1Cl ZINC000044596886 175215148 /nfs/dbraw/zinc/21/51/48/175215148.db2.gz ZYDBVOOSVTVXBP-UHFFFAOYSA-N 0 3 289.206 2.604 40 0 CFABHN CCc1nccn1-c1cncc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072355530 176374639 /nfs/dbraw/zinc/37/46/39/176374639.db2.gz YBNNBJFEKAMTQC-CQSZACIVSA-N 0 3 299.422 2.813 40 0 CFABHN Cc1ccccc1-c1cncc(C2CCN(CCO)CC2)n1 ZINC000072359284 176376904 /nfs/dbraw/zinc/37/69/04/176376904.db2.gz NCRMGQKCCBINKG-UHFFFAOYSA-N 0 3 297.402 2.624 40 0 CFABHN COc1ccccc1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000072359273 176376958 /nfs/dbraw/zinc/37/69/58/176376958.db2.gz HFSDQNBLZIXDMW-CYBMUJFWSA-N 0 3 283.375 2.961 40 0 CFABHN Cc1ccc([C@@H]2CCCN(Cc3cnn(C)c3)C2)nc1 ZINC000072364262 176378962 /nfs/dbraw/zinc/37/89/62/176378962.db2.gz PESKQNCYWFWMCT-OAHLLOKOSA-N 0 3 270.380 2.503 40 0 CFABHN OCCC1CCN(Cc2ccccc2Cl)CC1 ZINC000400950218 270330705 /nfs/dbraw/zinc/33/07/05/270330705.db2.gz FEFVJYKDFKODEW-UHFFFAOYSA-N 0 3 253.773 2.934 40 0 CFABHN C[C@@H](O)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001666047 274265257 /nfs/dbraw/zinc/26/52/57/274265257.db2.gz YEUANSOODKQTER-ZTFGCOKTSA-N 0 3 285.387 2.822 40 0 CFABHN Cc1sc2nc(C(C)C)nc(N3CCNCC3)c2c1C ZINC000013998672 274878634 /nfs/dbraw/zinc/87/86/34/274878634.db2.gz HFLLYKXUUOQKTF-UHFFFAOYSA-N 0 3 290.436 2.841 40 0 CFABHN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CCN1)CO2 ZINC000306145496 275830263 /nfs/dbraw/zinc/83/02/63/275830263.db2.gz GWFSTOKHSPYEII-HNNXBMFYSA-N 0 3 276.336 2.615 40 0 CFABHN Cn1cc(Cc2ccccc2C(F)(F)F)nc1N ZINC000199550793 294241881 /nfs/dbraw/zinc/24/18/81/294241881.db2.gz IOPMHRHWGJLUHS-UHFFFAOYSA-N 0 3 255.243 2.612 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCCCN1CC1CCOCC1 ZINC000257296690 301033939 /nfs/dbraw/zinc/03/39/39/301033939.db2.gz RDYNTWPXYQLBSX-CQSZACIVSA-N 0 3 263.385 2.672 40 0 CFABHN Cc1cc(OC[C@H](O)CN2CCCC2)ccc1C(C)C ZINC000005023371 301377922 /nfs/dbraw/zinc/37/79/22/301377922.db2.gz LSNORDNYLOEQHB-OAHLLOKOSA-N 0 3 277.408 2.954 40 0 CFABHN NC[C@@H](c1ccccc1Br)N1CCCC1 ZINC000019422237 303393901 /nfs/dbraw/zinc/39/39/01/303393901.db2.gz YVWHMADHZSEFOS-LBPRGKRZSA-N 0 3 269.186 2.545 40 0 CFABHN NC[C@@H](c1ccccc1OC(F)(F)F)N1CCCC1 ZINC000022171620 303394002 /nfs/dbraw/zinc/39/40/02/303394002.db2.gz DBLNMSYTRCDYPT-NSHDSACASA-N 0 3 274.286 2.681 40 0 CFABHN Cc1cc(C)nc(NCCNCc2ccccc2Cl)n1 ZINC000062717864 333176062 /nfs/dbraw/zinc/17/60/62/333176062.db2.gz XUTFWLVOXXAYQY-UHFFFAOYSA-N 0 3 290.798 2.949 40 0 CFABHN N[C@@H](Cc1ccccc1)c1nc(-c2cccs2)n[nH]1 ZINC000054700158 527337351 /nfs/dbraw/zinc/33/73/51/527337351.db2.gz KNHDSJBPQPZUSY-NSHDSACASA-N 0 3 270.361 2.776 40 0 CFABHN COc1ccc(-c2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1 ZINC000095533249 185005888 /nfs/dbraw/zinc/00/58/88/185005888.db2.gz DCSZZGCYRWSQAG-AWEZNQCLSA-N 0 3 298.321 2.668 40 0 CFABHN Cc1ccc([C@H](N)c2n[nH]c(-c3cccc(O)c3)n2)cc1 ZINC000095534098 185007671 /nfs/dbraw/zinc/00/76/71/185007671.db2.gz VGEFKHMSJDKHPR-AWEZNQCLSA-N 0 3 280.331 2.534 40 0 CFABHN CC(C)CN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC000096046764 185071680 /nfs/dbraw/zinc/07/16/80/185071680.db2.gz JLLOVKVBKGDVSA-UHFFFAOYSA-N 0 3 290.407 2.750 40 0 CFABHN Cc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)o1 ZINC000096053730 185074868 /nfs/dbraw/zinc/07/48/68/185074868.db2.gz ZIDDQGPVLYOTBE-IAGOWNOFSA-N 0 3 297.402 2.547 40 0 CFABHN c1ncc2c(c1COCC1CC1)CCN(CC1CC1)C2 ZINC000096059318 185082000 /nfs/dbraw/zinc/08/20/00/185082000.db2.gz UTHHKNZLRVCNTM-UHFFFAOYSA-N 0 3 272.392 2.776 40 0 CFABHN Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)o1 ZINC000096061558 185082930 /nfs/dbraw/zinc/08/29/30/185082930.db2.gz SOPZDXWXNDJUQV-DLBZAZTESA-N 0 3 271.360 2.766 40 0 CFABHN CC(C)N(C)Cc1cnc2n1CCN(CC1CC1)[C@@H]2C ZINC000096061998 185083440 /nfs/dbraw/zinc/08/34/40/185083440.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 0 3 276.428 2.510 40 0 CFABHN Cc1ccccc1CN1CC2(C1)CCN(C(=O)C(C)C)C2 ZINC000096070736 185087295 /nfs/dbraw/zinc/08/72/95/185087295.db2.gz RRUAEXHVFDOTGK-UHFFFAOYSA-N 0 3 286.419 2.685 40 0 CFABHN c1ncc(CN2CC[C@]3(C[C@@H](c4ccccc4)CO3)C2)[nH]1 ZINC000096072144 185088111 /nfs/dbraw/zinc/08/81/11/185088111.db2.gz QPFYVCWUWTUOQR-WBVHZDCISA-N 0 3 283.375 2.558 40 0 CFABHN CO[C@H]1CO[C@]2(C1)CCCN(Cc1ccc(C)s1)C2 ZINC000096107180 185099885 /nfs/dbraw/zinc/09/98/85/185099885.db2.gz MFASKFUXRSOFJH-HIFRSBDPSA-N 0 3 281.421 2.826 40 0 CFABHN CC(=O)c1ccccc1OC[C@H](O)CN1CCCC[C@H]1C ZINC000012438634 346231414 /nfs/dbraw/zinc/23/14/14/346231414.db2.gz SJVQHTYMNXUMKQ-UKRRQHHQSA-N 0 3 291.391 2.503 40 0 CFABHN C/C(=C\c1ccccc1)CN1CC[C@H]2NC(=O)CCC[C@H]21 ZINC000019713248 346242350 /nfs/dbraw/zinc/24/23/50/346242350.db2.gz ZXAJAUGLKPNKCP-SIMUAJLNSA-N 0 3 284.403 2.833 40 0 CFABHN Cc1cccnc1CN1CCNC[C@H]1c1ccccc1 ZINC000086177840 179246728 /nfs/dbraw/zinc/24/67/28/179246728.db2.gz CXWXSZJRKWQXAG-KRWDZBQOSA-N 0 3 267.376 2.537 40 0 CFABHN Cc1cc(C)c2[nH]c(=O)c(CN[C@H](CO)C(C)C)cc2c1 ZINC000585295120 348738767 /nfs/dbraw/zinc/73/87/67/348738767.db2.gz MLSQMWYZKZKJBU-OAHLLOKOSA-N 0 3 288.391 2.664 40 0 CFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccsc3)C2)C1 ZINC000585103011 348734472 /nfs/dbraw/zinc/73/44/72/348734472.db2.gz OBFZRFDAPGMJRP-AWEZNQCLSA-N 0 3 294.464 2.681 40 0 CFABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(C)o1)C2 ZINC000107711042 186187676 /nfs/dbraw/zinc/18/76/76/186187676.db2.gz GKOXGLMHTKTTGE-CVEARBPZSA-N 0 3 279.380 2.606 40 0 CFABHN Cc1ccc(F)cc1CN1CCC[C@@]2(CCNC2=O)CC1 ZINC000108527004 186221463 /nfs/dbraw/zinc/22/14/63/186221463.db2.gz NRPAPJLPOQOVGR-QGZVFWFLSA-N 0 3 290.382 2.626 40 0 CFABHN COc1ccccc1C[C@H](N)c1ccccc1OC ZINC000001634077 371690468 /nfs/dbraw/zinc/69/04/68/371690468.db2.gz KXVQWBRFAKVCSY-AWEZNQCLSA-N 0 3 257.333 2.946 40 0 CFABHN CC(C)Oc1ccc(C(=O)OCCN2CC[C@H](C)C2)cc1 ZINC000004416757 371855392 /nfs/dbraw/zinc/85/53/92/371855392.db2.gz HNYHPXPHZLQILY-AWEZNQCLSA-N 0 3 291.391 2.972 40 0 CFABHN N[C@H](c1ccc(Br)cc1)c1cccnc1 ZINC000011737286 371927347 /nfs/dbraw/zinc/92/73/47/371927347.db2.gz RUXAKBAMHWCBPS-GFCCVEGCSA-N 0 3 263.138 2.892 40 0 CFABHN Cc1ccc([C@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000012357112 371954936 /nfs/dbraw/zinc/95/49/36/371954936.db2.gz XXAGTFDDCAQYAH-GFCCVEGCSA-N 0 3 250.342 2.520 40 0 CFABHN Cc1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1 ZINC000019421196 372162416 /nfs/dbraw/zinc/16/24/16/372162416.db2.gz DOGRNNXCMUAJLF-GFCCVEGCSA-N 0 3 250.342 2.520 40 0 CFABHN CC1CCN(Cc2ccnc(-c3ccncc3)n2)CC1 ZINC000019496926 372169879 /nfs/dbraw/zinc/16/98/79/372169879.db2.gz VOVHEETYJRBPGI-UHFFFAOYSA-N 0 3 268.364 2.771 40 0 CFABHN CN1CCC(Oc2ccc(C(F)(F)F)cc2N)CC1 ZINC000020352075 372236353 /nfs/dbraw/zinc/23/63/53/372236353.db2.gz BJRXHLPHFDAZMA-UHFFFAOYSA-N 0 3 274.286 2.761 40 0 CFABHN CCCc1nnc([C@H]2CCN(Cc3ccc(C)o3)C2)o1 ZINC000049170314 373275078 /nfs/dbraw/zinc/27/50/78/373275078.db2.gz RRXVSZQFRLWXSE-LBPRGKRZSA-N 0 3 275.352 2.913 40 0 biogenic,in-vitro CFABHN COc1ccc([C@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000056894878 373574120 /nfs/dbraw/zinc/57/41/20/373574120.db2.gz SKMDMYKRKYICEO-GOSISDBHSA-N 0 3 282.387 2.842 40 0 CFABHN Cc1c(Cl)cccc1NC(=O)C1CCN(C)CC1 ZINC000074713349 374434231 /nfs/dbraw/zinc/43/42/31/374434231.db2.gz SSQJZJOSLRNUGM-UHFFFAOYSA-N 0 3 266.772 2.929 40 0 CFABHN CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000074713422 374434466 /nfs/dbraw/zinc/43/44/66/374434466.db2.gz LKXFVAFVNYONFT-UHFFFAOYSA-N 0 3 297.196 2.729 40 0 CFABHN CC(C)Oc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713371 374435086 /nfs/dbraw/zinc/43/50/86/374435086.db2.gz QFDCLOJABKIDPS-UHFFFAOYSA-N 0 3 276.380 2.754 40 0 CFABHN COc1ccc(C)cc1NC(=O)CC1CCN(C)CC1 ZINC000074921019 374447531 /nfs/dbraw/zinc/44/75/31/374447531.db2.gz YQAOWXATJOTYKT-UHFFFAOYSA-N 0 3 276.380 2.674 40 0 CFABHN CC(C)N(Cc1c(Cl)cccc1Cl)C(=O)CN ZINC000079420235 374609607 /nfs/dbraw/zinc/60/96/07/374609607.db2.gz XRYWYLUBSXAOPR-UHFFFAOYSA-N 0 3 275.179 2.689 40 0 CFABHN C[C@H](N)C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000079420977 374609747 /nfs/dbraw/zinc/60/97/47/374609747.db2.gz BCGWOZZNVYEHLL-VIFPVBQESA-N 0 3 286.297 2.544 40 0 CFABHN CN1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 ZINC000082324490 374735742 /nfs/dbraw/zinc/73/57/42/374735742.db2.gz INEYVXLBCQBXJP-JTQLQIEISA-N 0 3 252.745 2.620 40 0 CFABHN Cc1cc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)oc1C ZINC000096184838 375475215 /nfs/dbraw/zinc/47/52/15/375475215.db2.gz FFLIDQOFWXYPAN-CVEARBPZSA-N 0 3 298.390 2.540 40 0 CFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 ZINC000096184639 375475565 /nfs/dbraw/zinc/47/55/65/375475565.db2.gz GCUKDJMNKKAZRF-ZWKOTPCHSA-N 0 3 297.402 2.832 40 0 CFABHN Cc1cccc(CN2CCc3ncnc(C4CC4)c3CC2)n1 ZINC000096255087 375481093 /nfs/dbraw/zinc/48/10/93/375481093.db2.gz JKANFNFAMRRIBL-UHFFFAOYSA-N 0 3 294.402 2.658 40 0 CFABHN Cc1ccc(CN2CCc3ncnc(C)c3CC2)s1 ZINC000096254949 375481715 /nfs/dbraw/zinc/48/17/15/375481715.db2.gz KVLCSKPGQFRZIQ-UHFFFAOYSA-N 0 3 273.405 2.756 40 0 CFABHN Cc1cccc(C(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)c1 ZINC000096252434 375482498 /nfs/dbraw/zinc/48/24/98/375482498.db2.gz JMDIPJGMEZNDCF-IYBDPMFKSA-N 0 3 272.392 2.692 40 0 CFABHN CC(C)n1nccc1-c1cnc([C@@H]2CCCN(C)C2)cn1 ZINC000257203088 190011738 /nfs/dbraw/zinc/01/17/38/190011738.db2.gz AOQLESJILYYMCB-CYBMUJFWSA-N 0 3 285.395 2.730 40 0 CFABHN Cc1ccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)cn1 ZINC000257216943 190013706 /nfs/dbraw/zinc/01/37/06/190013706.db2.gz CWTZHUWDCALIRP-MRXNPFEDSA-N 0 3 282.391 2.868 40 0 CFABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(C(C)C)C2)n1 ZINC000257219586 190013889 /nfs/dbraw/zinc/01/38/89/190013889.db2.gz DHIAVYHLACIGIT-ZDUSSCGKSA-N 0 3 285.395 2.763 40 0 CFABHN FC(F)(F)CCN1CCC(c2ccn3nccc3n2)CC1 ZINC000257225277 190015439 /nfs/dbraw/zinc/01/54/39/190015439.db2.gz FFOJILYRGXTOFZ-UHFFFAOYSA-N 0 3 298.312 2.861 40 0 CFABHN CN1CCC[C@H]2N(C(=O)c3ccccc3)CCC[C@@]21C ZINC000257278121 190025826 /nfs/dbraw/zinc/02/58/26/190025826.db2.gz OAXJAFOGBVITSO-WBVHZDCISA-N 0 3 272.392 2.776 40 0 CFABHN Cc1c[nH]nc1C1(C)CCN(Cc2cccnc2)CC1 ZINC000257288592 190026677 /nfs/dbraw/zinc/02/66/77/190026677.db2.gz PUWKPUQZOZUERE-UHFFFAOYSA-N 0 3 270.380 2.667 40 0 CFABHN c1cc([C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257287947 190026827 /nfs/dbraw/zinc/02/68/27/190026827.db2.gz PSDSMKOVEHPFMW-CQSZACIVSA-N 0 3 278.359 2.947 40 0 CFABHN COc1ccc(CN2CC[C@H](c3nc(C)c[nH]3)C2)cc1 ZINC000257307622 190030932 /nfs/dbraw/zinc/03/09/32/190030932.db2.gz SZNJFYILPFGHHE-AWEZNQCLSA-N 0 3 271.364 2.716 40 0 CFABHN c1ccc(O[C@@H]2C[C@H]3CN(Cc4cnccn4)C[C@H]3C2)cc1 ZINC000257343741 190037774 /nfs/dbraw/zinc/03/77/74/190037774.db2.gz ZUFOHVQWIBUGDT-HWWDLCQESA-N 0 3 295.386 2.766 40 0 CFABHN COc1ccc([C@H]2CC(N)=NN2c2ccccc2)cc1OC ZINC000222549166 382802220 /nfs/dbraw/zinc/80/22/20/382802220.db2.gz YKYCLESUBKQYHM-CQSZACIVSA-N 0 3 297.358 2.927 40 0 CFABHN CCCNC(=O)Nc1ccc(OC2CCN(C)CC2)cc1 ZINC000225775323 382821425 /nfs/dbraw/zinc/82/14/25/382821425.db2.gz BWFYEXAVPKBBLA-UHFFFAOYSA-N 0 3 291.395 2.691 40 0 CFABHN COC[C@H]1CCN(C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159733 383215538 /nfs/dbraw/zinc/21/55/38/383215538.db2.gz XBMCRFJYKIMYOE-INIZCTEOSA-N 0 3 288.435 2.538 40 0 CFABHN Cc1nc([C@@H]2CCCN(C)C2)cc(C(F)(F)F)n1 ZINC000257212612 383493605 /nfs/dbraw/zinc/49/36/05/383493605.db2.gz CEFKLXVTBNRLJY-SECBINFHSA-N 0 3 259.275 2.613 40 0 CFABHN CC(C)N1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257247515 383493793 /nfs/dbraw/zinc/49/37/93/383493793.db2.gz IZICLAJRQATJIC-CYBMUJFWSA-N 0 3 289.379 2.626 40 0 CFABHN CCOCCNCc1cc2ccccc2c(OC)c1 ZINC000096527836 393837932 /nfs/dbraw/zinc/83/79/32/393837932.db2.gz BJXQDBFEDCLAKL-UHFFFAOYSA-N 0 3 259.349 2.975 40 0 CFABHN CN1CCC[C@@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286871 393942673 /nfs/dbraw/zinc/94/26/73/393942673.db2.gz MFURMCJSPLMXDW-WFASDCNBSA-N 0 3 268.401 2.870 40 0 CFABHN C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1 ZINC000072208915 397590464 /nfs/dbraw/zinc/59/04/64/397590464.db2.gz SQWVCBMYWHDLCU-PWSUYJOCSA-N 0 3 250.342 2.600 40 0 CFABHN CCC(=O)N1N=C2[C@H]([C@@H]1c1ccco1)[C@H](C)N(C)C[C@@H]2C ZINC000004724368 170006049 /nfs/dbraw/zinc/00/60/49/170006049.db2.gz URLGZASRDBGECB-WYURAEBNSA-N 0 3 289.379 2.515 40 0 CFABHN Cc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1C ZINC000009876173 170388158 /nfs/dbraw/zinc/38/81/58/170388158.db2.gz XSVCIOUIWRIACG-CQSZACIVSA-N 0 3 291.464 2.932 40 0 CFABHN CN[C@@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000038121267 174128496 /nfs/dbraw/zinc/12/84/96/174128496.db2.gz VROGAWZEUHSRCU-INIZCTEOSA-N 0 3 257.333 2.518 40 0 CFABHN CN1CCC[C@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352977 176374580 /nfs/dbraw/zinc/37/45/80/176374580.db2.gz ZBKJARRUDTWKMB-INIZCTEOSA-N 0 3 281.359 2.614 40 0 CFABHN COc1cccc(-c2nccnc2[C@H]2CCCN(C)C2)c1 ZINC000072358366 176376205 /nfs/dbraw/zinc/37/62/05/176376205.db2.gz CLQUUDQEHXXULP-AWEZNQCLSA-N 0 3 283.375 2.961 40 0 CFABHN CN1CCC(c2cccc(NC[C@]3(C)CCCO3)n2)CC1 ZINC000072365475 176380606 /nfs/dbraw/zinc/38/06/06/176380606.db2.gz CVXYYIRTIFQNNX-KRWDZBQOSA-N 0 3 289.423 2.872 40 0 CFABHN COc1ccc(-c2nccc([C@@H]3CCCN3C)n2)cc1 ZINC000072376469 176385066 /nfs/dbraw/zinc/38/50/66/176385066.db2.gz SHXUEXLHUPHMPP-HNNXBMFYSA-N 0 3 269.348 2.919 40 0 CFABHN CC(C)N1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377469 176385739 /nfs/dbraw/zinc/38/57/39/176385739.db2.gz RWHLAYPWGIVUOE-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2C(C)C)n1 ZINC000072382645 176388299 /nfs/dbraw/zinc/38/82/99/176388299.db2.gz GAAWHYBTLMLRQF-CQSZACIVSA-N 0 3 298.394 2.864 40 0 CFABHN Cc1cccc(Nc2cc(C[C@H]3CCCN(C)C3)ncn2)n1 ZINC000072383483 176388725 /nfs/dbraw/zinc/38/87/25/176388725.db2.gz KZFPOAYJSJNHSR-CQSZACIVSA-N 0 3 297.406 2.808 40 0 CFABHN CN1CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393679 176394451 /nfs/dbraw/zinc/39/44/51/176394451.db2.gz FGNHVJZJRLFFOH-UHFFFAOYSA-N 0 3 298.434 2.968 40 0 CFABHN Cc1cc(CN2CCC[C@H](CO)C2)c(C)n1-c1cccnc1 ZINC000072397802 176395794 /nfs/dbraw/zinc/39/57/94/176395794.db2.gz SQFMGNJCUBYVOI-INIZCTEOSA-N 0 3 299.418 2.693 40 0 CFABHN CCCCCCNCc1cnc(NCCC)nc1 ZINC000062717691 262302538 /nfs/dbraw/zinc/30/25/38/262302538.db2.gz UROBEMBWLKHBAX-UHFFFAOYSA-N 0 3 250.390 2.968 40 0 CFABHN CC(C)c1[nH]c2ncccc2c1CN1CCC(O)CC1 ZINC000072398464 275720290 /nfs/dbraw/zinc/72/02/90/275720290.db2.gz RBLNGGAGBYIUOO-UHFFFAOYSA-N 0 3 273.380 2.643 40 0 CFABHN CCCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225486925 276014137 /nfs/dbraw/zinc/01/41/37/276014137.db2.gz SHEGFGCSPGOEOY-ZDUSSCGKSA-N 0 3 278.327 2.767 40 0 biogenic,in-vitro CFABHN C[C@H](N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000079420332 278223455 /nfs/dbraw/zinc/22/34/55/278223455.db2.gz SAPDZFXIIDRKRD-QMMMGPOBSA-N 0 3 287.190 2.832 40 0 CFABHN CC1CCN([C@@H](CN)c2cc(F)ccc2F)CC1 ZINC000037233429 278550008 /nfs/dbraw/zinc/55/00/08/278550008.db2.gz OXNLKJINUHAKGM-AWEZNQCLSA-N 0 3 254.324 2.697 40 0 CFABHN COc1cccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)c1 ZINC000095533499 185007495 /nfs/dbraw/zinc/00/74/95/185007495.db2.gz BFXFFNKBRXXJQW-CQSZACIVSA-N 0 3 298.321 2.668 40 0 CFABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccoc1)C2 ZINC000096039312 185069347 /nfs/dbraw/zinc/06/93/47/185069347.db2.gz KRLYSIGFBFAJGL-HOTGVXAUSA-N 0 3 279.380 2.687 40 0 CFABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096039310 185069560 /nfs/dbraw/zinc/06/95/60/185069560.db2.gz KRLYSIGFBFAJGL-CVEARBPZSA-N 0 3 279.380 2.687 40 0 CFABHN Cc1ccc(CN2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 ZINC000096053791 185074794 /nfs/dbraw/zinc/07/47/94/185074794.db2.gz FODQKOBDPUAGEG-IYBDPMFKSA-N 0 3 297.402 2.547 40 0 CFABHN CO[C@H]1CCN(Cc2cccs2)[C@H]1Cc1ccncc1 ZINC000096069979 185085600 /nfs/dbraw/zinc/08/56/00/185085600.db2.gz PWNJBGLCXNCAIQ-HOTGVXAUSA-N 0 3 288.416 2.975 40 0 CFABHN CO[C@@H]1CO[C@]2(C1)CCCN(Cc1sccc1C)C2 ZINC000096107430 185100314 /nfs/dbraw/zinc/10/03/14/185100314.db2.gz DPSBOGRFAIEPFT-ZFWWWQNUSA-N 0 3 281.421 2.826 40 0 CFABHN CC(C)[C@H](N)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510448 347702119 /nfs/dbraw/zinc/70/21/19/347702119.db2.gz OKGCQZMVWGAKHE-QMMMGPOBSA-N 0 3 258.247 2.633 40 0 CFABHN CC(C)[C@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[n-]1 ZINC000096510448 347702122 /nfs/dbraw/zinc/70/21/22/347702122.db2.gz OKGCQZMVWGAKHE-QMMMGPOBSA-N 0 3 258.247 2.633 40 0 CFABHN NCc1cc(-c2cc(Cl)cc(Cl)c2)ncn1 ZINC000409436734 348602548 /nfs/dbraw/zinc/60/25/48/348602548.db2.gz YTPOAAKCCHSCAN-UHFFFAOYSA-N 0 3 254.120 2.909 40 0 CFABHN CCOC(=O)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000002511913 371731461 /nfs/dbraw/zinc/73/14/61/371731461.db2.gz AKNWUQFEDZTSPA-QMMMGPOBSA-N 0 3 262.136 2.599 40 0 CFABHN COCCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001667126 371694258 /nfs/dbraw/zinc/69/42/58/371694258.db2.gz ACUVMRHAWWNSHA-DLBZAZTESA-N 0 3 271.360 2.697 40 0 CFABHN Cc1sc2[nH]c([C@@H](C)NC(C)C)nc(=O)c2c1C ZINC000007738684 371895814 /nfs/dbraw/zinc/89/58/14/371895814.db2.gz FRZQCPITXSVWSW-MRVPVSSYSA-N 0 3 265.382 2.660 40 0 CFABHN CN1CC=CC[C@H](C2CCN(Cc3ccccc3)CC2)C1=O ZINC000019695736 372180878 /nfs/dbraw/zinc/18/08/78/372180878.db2.gz CLPUOUALGYOFDW-GOSISDBHSA-N 0 3 298.430 2.933 40 0 CFABHN CC(C)(C)OC(=O)NC1CCN(C2CCC2)CC1 ZINC000036533638 372580745 /nfs/dbraw/zinc/58/07/45/372580745.db2.gz JTAWTLNMZFQPJE-UHFFFAOYSA-N 0 3 254.374 2.528 40 0 CFABHN O=C(c1cc2c(s1)CCCC2)N1CCN2CCC[C@@H]2C1 ZINC000036613025 372582448 /nfs/dbraw/zinc/58/24/48/372582448.db2.gz KQCWFILTVIABPN-CYBMUJFWSA-N 0 3 290.432 2.547 40 0 CFABHN CN(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000036631472 372584130 /nfs/dbraw/zinc/58/41/30/372584130.db2.gz MVBSCHOLWMUJFM-MRXNPFEDSA-N 0 3 271.360 2.655 40 0 CFABHN COc1ccc(CNC[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219119 373084608 /nfs/dbraw/zinc/08/46/08/373084608.db2.gz UAMUFQAHVFIHJJ-GFCCVEGCSA-N 0 3 279.380 2.763 40 0 CFABHN Cc1nnc([C@H]2CCN(Cc3ccccc3F)C2)o1 ZINC000049169193 373273184 /nfs/dbraw/zinc/27/31/84/373273184.db2.gz VGLWVVBTQXQPKB-LBPRGKRZSA-N 0 3 261.300 2.507 40 0 biogenic,in-vitro CFABHN C[C@@H]1Cc2ccccc2N1C(=O)CC1CCN(C)CC1 ZINC000074921071 374447162 /nfs/dbraw/zinc/44/71/62/374447162.db2.gz SVIFNEOAUUSHTP-CYBMUJFWSA-N 0 3 272.392 2.696 40 0 CFABHN CC(C)[C@H](N)C(=O)NCc1cc(Cl)ccc1Cl ZINC000079420339 374609311 /nfs/dbraw/zinc/60/93/11/374609311.db2.gz IRBNLAAKOJWRIN-NSHDSACASA-N 0 3 275.179 2.593 40 0 CFABHN Cc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000081247636 374689494 /nfs/dbraw/zinc/68/94/94/374689494.db2.gz PRRPSKTZWNFBJZ-CYBMUJFWSA-N 0 3 260.381 2.514 40 0 CFABHN C[C@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1 ZINC000083451838 374746603 /nfs/dbraw/zinc/74/66/03/374746603.db2.gz FWOLXOXRFXNWLP-QMMMGPOBSA-N 0 3 262.250 2.643 40 0 CFABHN COC(=O)CCC1=CCN(Cc2ccccc2)CC1 ZINC000090514167 375017815 /nfs/dbraw/zinc/01/78/15/375017815.db2.gz OJEAIPGFIXPUDP-UHFFFAOYSA-N 0 3 259.349 2.772 40 0 CFABHN Cc1ccc(CN2CCC[C@]3(CCCC(=O)N3C)C2)o1 ZINC000096049959 375467981 /nfs/dbraw/zinc/46/79/81/375467981.db2.gz WWHDQHNEDJQHQT-MRXNPFEDSA-N 0 3 276.380 2.565 40 0 CFABHN CCc1ncnc2c1CCN(Cc1cccs1)CC2 ZINC000096255011 375481179 /nfs/dbraw/zinc/48/11/79/375481179.db2.gz CDGDBLYNUJDPRL-UHFFFAOYSA-N 0 3 273.405 2.701 40 0 CFABHN O=C(c1ccco1)N1CCC2(CC1)CNCc1ccccc12 ZINC000096242532 375481206 /nfs/dbraw/zinc/48/12/06/375481206.db2.gz WGNUGAJOIHVKBN-UHFFFAOYSA-N 0 3 296.370 2.557 40 0 CFABHN O[C@H]([C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000100482117 375623522 /nfs/dbraw/zinc/62/35/22/375623522.db2.gz LPHOHFFMCAPPFF-QWHCGFSZSA-N 0 3 273.298 2.822 40 0 CFABHN FC(F)n1ccc(CNCCc2ccccc2)n1 ZINC000256051813 190003966 /nfs/dbraw/zinc/00/39/66/190003966.db2.gz KORGELDBPHXNKB-UHFFFAOYSA-N 0 3 251.280 2.611 40 0 CFABHN Cc1cc(CC[C@@H]2CCCN2Cc2c[nH]cn2)ccn1 ZINC000257211914 190012714 /nfs/dbraw/zinc/01/27/14/190012714.db2.gz CBAZOJOLUUFDCK-INIZCTEOSA-N 0 3 270.380 2.710 40 0 CFABHN Cc1cc(CC[C@@H]2CCCN2Cc2cnc[nH]2)ccn1 ZINC000257211914 190012715 /nfs/dbraw/zinc/01/27/15/190012715.db2.gz CBAZOJOLUUFDCK-INIZCTEOSA-N 0 3 270.380 2.710 40 0 CFABHN Cc1c[nH]c([C@@H]2CCN(Cc3ccccc3F)C2)n1 ZINC000257225059 190015776 /nfs/dbraw/zinc/01/57/76/190015776.db2.gz FEQBNLSJSLWKMQ-CYBMUJFWSA-N 0 3 259.328 2.847 40 0 CFABHN c1cncc(O[C@@H]2CC[C@@H]3CN(Cc4ccncc4)C[C@H]23)c1 ZINC000257234644 190016825 /nfs/dbraw/zinc/01/68/25/190016825.db2.gz GUMYAPSFVNBOCC-BPQIPLTHSA-N 0 3 295.386 2.766 40 0 CFABHN CCn1cc(CN2CC[C@@H](c3cc(NC)cc(C)n3)C2)cn1 ZINC000257242834 190018744 /nfs/dbraw/zinc/01/87/44/190018744.db2.gz IEJIMPMXDSFJCZ-OAHLLOKOSA-N 0 3 299.422 2.638 40 0 CFABHN CCCCC[C@]1(O)CCNC[C@@H]1Oc1ccccc1 ZINC000257259138 190021903 /nfs/dbraw/zinc/02/19/03/190021903.db2.gz KXAWPHUIITUDEM-HOTGVXAUSA-N 0 3 263.381 2.739 40 0 CFABHN Fc1ccc(CN2CC[C@H](c3ccnc4nccn43)C2)cc1 ZINC000257278432 190025837 /nfs/dbraw/zinc/02/58/37/190025837.db2.gz OCGGTVNQUYLLDJ-AWEZNQCLSA-N 0 3 296.349 2.858 40 0 CFABHN CC(C)n1nccc1CN1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257284757 190026096 /nfs/dbraw/zinc/02/60/96/190026096.db2.gz PEEKKGGUBSKORB-CQSZACIVSA-N 0 3 287.411 2.642 40 0 CFABHN Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCCN2C)n1 ZINC000257319882 190033373 /nfs/dbraw/zinc/03/33/73/190033373.db2.gz VULCYOLBBIOKFH-HNNXBMFYSA-N 0 3 285.395 2.996 40 0 CFABHN Cc1cc(-c2nccnc2[C@@H]2CCCN(C(C)C)C2)n[nH]1 ZINC000257319333 190033720 /nfs/dbraw/zinc/03/37/20/190033720.db2.gz VRXYLUFQQRUVGN-CYBMUJFWSA-N 0 3 285.395 2.763 40 0 CFABHN CCNc1cc(N2CCc3ccccc3C2)nc(C)n1 ZINC000127664398 377294826 /nfs/dbraw/zinc/29/48/26/377294826.db2.gz HFXLPOFNWNPXSB-UHFFFAOYSA-N 0 3 268.364 2.780 40 0 CFABHN CN1CCC(C(=O)NCCCc2ccc(Cl)cc2)CC1 ZINC000172730766 379635194 /nfs/dbraw/zinc/63/51/94/379635194.db2.gz QGCYXRVNYDFIJM-UHFFFAOYSA-N 0 3 294.826 2.731 40 0 CFABHN Cc1ccc(-c2ccc3nnc([C@H]4CCCN4)n3n2)cc1C ZINC000217555915 382786955 /nfs/dbraw/zinc/78/69/55/382786955.db2.gz RHNLDBZEGDRHHM-OAHLLOKOSA-N 0 3 293.374 2.833 40 0 CFABHN COCCNCc1cccn1-c1ccc(C)c(C)c1 ZINC000223682327 382806278 /nfs/dbraw/zinc/80/62/78/382806278.db2.gz FZXGQXXSNPOHHE-UHFFFAOYSA-N 0 3 258.365 2.830 40 0 CFABHN CCC[C@@H](NCC)C(=O)c1ccc(OC)c(OC)c1 ZINC000299817340 393463802 /nfs/dbraw/zinc/46/38/02/393463802.db2.gz WZVCLFAACAERMB-GFCCVEGCSA-N 0 3 265.353 2.665 40 0 in-vitro CFABHN CNc1ncc(CNCCc2ccc(Cl)cc2)cn1 ZINC000062717483 393627279 /nfs/dbraw/zinc/62/72/79/393627279.db2.gz MNWDAVASDHRTNN-UHFFFAOYSA-N 0 3 276.771 2.504 40 0 CFABHN CCC[C@H](NCc1cnc(N)nc1)c1ccccc1 ZINC000062717394 393627727 /nfs/dbraw/zinc/62/77/27/393627727.db2.gz KRDFBXROQNLRHK-AWEZNQCLSA-N 0 3 256.353 2.690 40 0 CFABHN CCOC(=O)C[C@H](NC1CC1)c1ccc(F)cc1 ZINC000072210280 393643492 /nfs/dbraw/zinc/64/34/92/393643492.db2.gz RVEHGMQQNKBGJX-ZDUSSCGKSA-N 0 3 251.301 2.572 40 0 CFABHN N[C@@H](c1nc(CNc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000095533276 393812568 /nfs/dbraw/zinc/81/25/68/393812568.db2.gz PNRGFYCWQKURSF-OAHLLOKOSA-N 0 3 297.337 2.604 40 0 CFABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncc(C)cn2)o1 ZINC000107709558 393871258 /nfs/dbraw/zinc/87/12/58/393871258.db2.gz IZMZZAPECJEEMO-CVEARBPZSA-N 0 3 298.390 2.540 40 0 CFABHN N[C@@H](c1ccccc1)c1ccnc(Br)c1 ZINC000098181679 393842821 /nfs/dbraw/zinc/84/28/21/393842821.db2.gz UCNTZLPVZOLGNW-LBPRGKRZSA-N 0 3 263.138 2.892 40 0 CFABHN C[C@H](NC[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636334 170294300 /nfs/dbraw/zinc/29/43/00/170294300.db2.gz SDDLOZBXFNVCLQ-JSGCOSHPSA-N 0 3 251.370 2.513 40 0 CFABHN CC1CCN(CCCOc2ccccc2C=O)CC1 ZINC000008731566 170351246 /nfs/dbraw/zinc/35/12/46/170351246.db2.gz GGLVZEXAPNQCRG-UHFFFAOYSA-N 0 3 261.365 3.000 40 0 CFABHN Cc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)c(C)c1 ZINC000009876134 170388527 /nfs/dbraw/zinc/38/85/27/170388527.db2.gz NJSQGKUYWSNBJS-CQSZACIVSA-N 0 3 291.464 2.932 40 0 CFABHN CNCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000019471082 170804822 /nfs/dbraw/zinc/80/48/22/170804822.db2.gz ZMJDETMWXGXYGL-UHFFFAOYSA-N 0 3 256.305 2.637 40 0 CFABHN CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832138 174157108 /nfs/dbraw/zinc/15/71/08/174157108.db2.gz XPTGMZYOINEEDB-CYBMUJFWSA-N 0 3 280.799 2.688 40 0 CFABHN CN(C)c1ccc(C2CCN(Cc3ccncc3)CC2)nc1 ZINC000072363780 176378520 /nfs/dbraw/zinc/37/85/20/176378520.db2.gz WEZNKHQBQZNIOF-UHFFFAOYSA-N 0 3 296.418 2.922 40 0 CFABHN Cc1cc(NCc2ccccn2)nc([C@H]2CCCN(C)C2)n1 ZINC000072364718 176379783 /nfs/dbraw/zinc/37/97/83/176379783.db2.gz DDEZYYRSGIVHJX-AWEZNQCLSA-N 0 3 297.406 2.601 40 0 CFABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072382644 176388375 /nfs/dbraw/zinc/38/83/75/176388375.db2.gz GAAWHYBTLMLRQF-AWEZNQCLSA-N 0 3 298.394 2.864 40 0 CFABHN Fc1ccccc1CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000072384961 176389027 /nfs/dbraw/zinc/38/90/27/176389027.db2.gz ZOUJGORIBRJOIA-CYBMUJFWSA-N 0 3 259.328 2.928 40 0 CFABHN CN1CCC[C@H]1c1cccc(NCc2ccncc2)n1 ZINC000072386713 176392235 /nfs/dbraw/zinc/39/22/35/176392235.db2.gz IZIOCNRMGFPVNW-HNNXBMFYSA-N 0 3 268.364 2.855 40 0 CFABHN c1cc(CN2CCC(c3[nH]nc4nccnc43)CC2)cs1 ZINC000072393759 176394402 /nfs/dbraw/zinc/39/44/02/176394402.db2.gz ZYUJWEAYHPYIMT-UHFFFAOYSA-N 0 3 299.403 2.794 40 0 CFABHN CN1CCC(NC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000078472905 177344389 /nfs/dbraw/zinc/34/43/89/177344389.db2.gz DDZZZZBMQPGMPJ-VOTSOKGWSA-N 0 3 278.783 2.564 40 0 CFABHN O[C@@H](CN1CCCCC1)c1ccc(Br)cc1 ZINC000001668337 275050998 /nfs/dbraw/zinc/05/09/98/275050998.db2.gz FHJSNJBZHDUZSG-ZDUSSCGKSA-N 0 3 284.197 2.968 40 0 CFABHN CC(C)[C@H](N)C(=O)N([C@H](C)c1ccc(F)cc1)C1CC1 ZINC000079418805 280271621 /nfs/dbraw/zinc/27/16/21/280271621.db2.gz BHRGMOAHEGGWFH-ABAIWWIYSA-N 0 3 278.371 2.861 40 0 CFABHN CN1CCC(CC(=O)N2CCCc3ccccc32)CC1 ZINC000074920985 536335901 /nfs/dbraw/zinc/33/59/01/536335901.db2.gz VJGGBWLDFBQPMO-UHFFFAOYSA-N 0 3 272.392 2.698 40 0 CFABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096038985 185068877 /nfs/dbraw/zinc/06/88/77/185068877.db2.gz GKOXGLMHTKTTGE-JKSUJKDBSA-N 0 3 279.380 2.606 40 0 CFABHN COC[C@]12CCCO[C@@H]1CCN(Cc1ccc(C)o1)C2 ZINC000096038984 185069609 /nfs/dbraw/zinc/06/96/09/185069609.db2.gz GKOXGLMHTKTTGE-HZPDHXFCSA-N 0 3 279.380 2.606 40 0 CFABHN Cc1ccc(CN2CCC3(CCN(C)C3=O)CC2)s1 ZINC000096046713 185071309 /nfs/dbraw/zinc/07/13/09/185071309.db2.gz QKLQYWRDAJHHJY-UHFFFAOYSA-N 0 3 278.421 2.501 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1ccc(C)o1)CC2 ZINC000096048102 185072381 /nfs/dbraw/zinc/07/23/81/185072381.db2.gz MLHHEWQTODOAIP-OAHLLOKOSA-N 0 3 279.380 2.748 40 0 CFABHN CN1C(=O)CCC[C@]12CCCN(Cc1cccs1)C2 ZINC000096049950 185073833 /nfs/dbraw/zinc/07/38/33/185073833.db2.gz XCHVUMMIKRIEPD-OAHLLOKOSA-N 0 3 278.421 2.725 40 0 CFABHN CCO[C@H]1CO[C@]2(C1)CCCN(Cc1cccs1)C2 ZINC000096107212 185099222 /nfs/dbraw/zinc/09/92/22/185099222.db2.gz QATINGISQUSVMP-HIFRSBDPSA-N 0 3 281.421 2.908 40 0 CFABHN Cc1nccn1-c1cncc([C@@H]2CCCN2C(C)C)n1 ZINC000072355534 282200130 /nfs/dbraw/zinc/20/01/30/282200130.db2.gz AWKHXCBVFOZQIX-AWEZNQCLSA-N 0 3 271.368 2.516 40 0 CFABHN Cc1ccc2cc(CN[C@H]3CCCC[C@@H]3O)c(=O)[nH]c2c1 ZINC000585292775 348738791 /nfs/dbraw/zinc/73/87/91/348738791.db2.gz NYQANPRPOYLYEN-HOCLYGCPSA-N 0 3 286.375 2.642 40 0 CFABHN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4C)C3)CC2)cc1 ZINC000585102320 348734125 /nfs/dbraw/zinc/73/41/25/348734125.db2.gz WZKMACVATXKCRZ-GOSISDBHSA-N 0 3 298.430 2.723 40 0 CFABHN c1cncc(O[C@@H]2CSC3(CN(C4CCCC4)C3)C2)c1 ZINC000585104667 348734213 /nfs/dbraw/zinc/73/42/13/348734213.db2.gz KTHWLESZDJUTIX-HNNXBMFYSA-N 0 3 290.432 2.963 40 0 CFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccc(C)o3)C2)C1 ZINC000585103474 348734303 /nfs/dbraw/zinc/73/43/03/348734303.db2.gz XCMFPJIQDFLVMD-OAHLLOKOSA-N 0 3 292.423 2.521 40 0 CFABHN O=C1NCC[C@]12CCCN(Cc1ccccc1Cl)CC2 ZINC000108527754 186221234 /nfs/dbraw/zinc/22/12/34/186221234.db2.gz YMLKADPSIDJVDM-INIZCTEOSA-N 0 3 292.810 2.832 40 0 CFABHN CN1CC[C@@](O)(c2ccccc2)[C@H]([C@H](O)c2ccccc2)C1 ZINC000001769226 283101680 /nfs/dbraw/zinc/10/16/80/283101680.db2.gz BGKCTMYJKSVGSD-IPMKNSEASA-N 0 3 297.398 2.560 40 0 CFABHN CN(C)CC[C@](O)(Cc1ccccc1)c1ccco1 ZINC000003594309 371811815 /nfs/dbraw/zinc/81/18/15/371811815.db2.gz WXKXEUZGIUCOTI-INIZCTEOSA-N 0 3 259.349 2.662 40 0 CFABHN O=C(CNC1CCCC1)Nc1ccc(N2CCCC2)cc1 ZINC000004441010 371857341 /nfs/dbraw/zinc/85/73/41/371857341.db2.gz IUZIHTCFEHBSHG-UHFFFAOYSA-N 0 3 287.407 2.758 40 0 CFABHN CSc1ccc(CNCCNC(=O)c2ccco2)cc1 ZINC000004498129 371858899 /nfs/dbraw/zinc/85/88/99/371858899.db2.gz LZAHCWFBJNVPTQ-UHFFFAOYSA-N 0 3 290.388 2.521 40 0 CFABHN C[C@H]1CCC[C@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000010434847 371908466 /nfs/dbraw/zinc/90/84/66/371908466.db2.gz KSIMRCJXVNOUTP-BMGDILEWSA-N 0 3 289.419 2.611 40 0 CFABHN O=Cc1ccc(OC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[O-] ZINC000013425086 372027006 /nfs/dbraw/zinc/02/70/06/372027006.db2.gz ZHLARUGYDIKKSN-HOCLYGCPSA-N 0 3 289.375 2.848 40 0 CFABHN O=Cc1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[O-] ZINC000013425086 372027010 /nfs/dbraw/zinc/02/70/10/372027010.db2.gz ZHLARUGYDIKKSN-HOCLYGCPSA-N 0 3 289.375 2.848 40 0 CFABHN O=c1[nH]c2ccccc2cc1CNCc1cccs1 ZINC000013561518 372032095 /nfs/dbraw/zinc/03/20/95/372032095.db2.gz PACOTKUWYYSKHB-UHFFFAOYSA-N 0 3 270.357 2.879 40 0 CFABHN c1cnc([C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cn1 ZINC000019345758 372157069 /nfs/dbraw/zinc/15/70/69/372157069.db2.gz HPERNZVJVRDLLH-AWEZNQCLSA-N 0 3 297.358 2.585 40 0 CFABHN C[C@@H]1CCCCN1Cc1ccnc(-c2ccncc2)n1 ZINC000019496385 372168713 /nfs/dbraw/zinc/16/87/13/372168713.db2.gz GOMYFQALSFXUTP-CYBMUJFWSA-N 0 3 268.364 2.913 40 0 CFABHN CCN(CC)CCNCc1c(F)cccc1Cl ZINC000019919602 372209721 /nfs/dbraw/zinc/20/97/21/372209721.db2.gz UBIBLVPQSKAGJN-UHFFFAOYSA-N 0 3 258.768 2.911 40 0 CFABHN COc1cc(C[NH2+]CC(C)C)cc(Br)c1[O-] ZINC000019882930 372201718 /nfs/dbraw/zinc/20/17/18/372201718.db2.gz BOUFNDVPOGBLKE-UHFFFAOYSA-N 0 3 288.185 2.909 40 0 CFABHN CCOC(=O)[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000026895765 372330635 /nfs/dbraw/zinc/33/06/35/372330635.db2.gz AKNWUQFEDZTSPA-MRVPVSSYSA-N 0 3 262.136 2.599 40 0 CFABHN COCCCNCc1ccccc1OCC(C)C ZINC000032107267 372427160 /nfs/dbraw/zinc/42/71/60/372427160.db2.gz AGWQDHNLJQFSBR-UHFFFAOYSA-N 0 3 251.370 2.848 40 0 CFABHN O=C(c1cc2c(s1)CCCC2)N1CCN2CCC[C@H]2C1 ZINC000036613026 372582186 /nfs/dbraw/zinc/58/21/86/372582186.db2.gz KQCWFILTVIABPN-ZDUSSCGKSA-N 0 3 290.432 2.547 40 0 CFABHN Cc1c(Cl)ccc2c(N3CCNCC3)ccnc12 ZINC000040165622 372780239 /nfs/dbraw/zinc/78/02/39/372780239.db2.gz RTKLOCMGIXMEIJ-UHFFFAOYSA-N 0 3 261.756 2.606 40 0 CFABHN COc1ccc(CNC[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000047219118 373084065 /nfs/dbraw/zinc/08/40/65/373084065.db2.gz UAMUFQAHVFIHJJ-LBPRGKRZSA-N 0 3 279.380 2.763 40 0 CFABHN C[C@@H](CNCc1ccc(F)cc1)C(=O)OC(C)(C)C ZINC000047219078 373084088 /nfs/dbraw/zinc/08/40/88/373084088.db2.gz BNLNLNGWCVGSSX-NSHDSACASA-N 0 3 267.344 2.893 40 0 CFABHN O=C(Cc1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049573698 373312770 /nfs/dbraw/zinc/31/27/70/373312770.db2.gz DQNAQBKFOYXNKF-RCCFBDPRSA-N 0 3 298.430 2.562 40 0 CFABHN CCOC(=O)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC000057354207 373589797 /nfs/dbraw/zinc/58/97/97/373589797.db2.gz LILXUELARXKULD-HNNXBMFYSA-N 0 3 261.365 2.852 40 0 CFABHN COc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894893 373574204 /nfs/dbraw/zinc/57/42/04/373574204.db2.gz JHMOTEPUZBNHLR-GOSISDBHSA-N 0 3 282.387 2.842 40 0 CFABHN Cc1cc(C)nc(NCCNCc2ccc(Cl)cc2)n1 ZINC000062717846 373764130 /nfs/dbraw/zinc/76/41/30/373764130.db2.gz XFAKBXVMCFTDQX-UHFFFAOYSA-N 0 3 290.798 2.949 40 0 CFABHN CN(C)[C@H](CNC(=O)C1CCC1)c1cn(C)c2ccccc12 ZINC000075149119 374464217 /nfs/dbraw/zinc/46/42/17/374464217.db2.gz WQGVTONDKHMVEV-QGZVFWFLSA-N 0 3 299.418 2.697 40 0 CFABHN Cc1cccc(C)c1NC(=O)CC1CCN(C)CC1 ZINC000074920990 374447660 /nfs/dbraw/zinc/44/76/60/374447660.db2.gz GVGLISDSFUHHRI-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN CC(C)CCCn1cc(-c2nc(CN)cs2)cn1 ZINC000095093936 375412849 /nfs/dbraw/zinc/41/28/49/375412849.db2.gz YUZHLPIJRDJIJZ-UHFFFAOYSA-N 0 3 264.398 2.902 40 0 CFABHN CCOC1CC2(C1)CCN(Cc1cccn1C)CC2 ZINC000096159282 375472006 /nfs/dbraw/zinc/47/20/06/375472006.db2.gz YGTPAESZRWSSLF-UHFFFAOYSA-N 0 3 262.397 2.806 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1cccc(C)n1)CC2 ZINC000096158735 375472190 /nfs/dbraw/zinc/47/21/90/375472190.db2.gz JINVEPGLBKPJIN-MRXNPFEDSA-N 0 3 290.407 2.550 40 0 CFABHN c1coc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 ZINC000096208861 375478168 /nfs/dbraw/zinc/47/81/68/375478168.db2.gz YPXWSZYDCJLYEC-NVXWUHKLSA-N 0 3 291.391 2.545 40 0 CFABHN O=C(C1CCCCC1)N1C[C@@H]2NCc3ccccc3[C@@H]2C1 ZINC000096268307 375483386 /nfs/dbraw/zinc/48/33/86/375483386.db2.gz DKYSLPWUVWCWFD-IRXDYDNUSA-N 0 3 284.403 2.665 40 0 CFABHN CC(C)N1CCC2(CC1)c1cccc(F)c1N(C)C2=O ZINC000096261758 375483483 /nfs/dbraw/zinc/48/34/83/375483483.db2.gz SDVMVCYIUXHCTG-UHFFFAOYSA-N 0 3 276.355 2.544 40 0 CFABHN COc1cc(CN2CC[C@@H](c3cc[nH]n3)C2)ccc1F ZINC000257234059 190017127 /nfs/dbraw/zinc/01/71/27/190017127.db2.gz GRXHPBIRCZFQJB-GFCCVEGCSA-N 0 3 275.327 2.547 40 0 CFABHN c1ncc(CN2CCC[C@@H](Cc3cccnc3)C2)s1 ZINC000257227320 190015118 /nfs/dbraw/zinc/01/51/18/190015118.db2.gz FOSIBNJSSOBLNO-AWEZNQCLSA-N 0 3 273.405 2.993 40 0 CFABHN CCCn1nccc1-c1cc([C@H]2CCCCN2)nc(C)n1 ZINC000257253910 190020945 /nfs/dbraw/zinc/02/09/45/190020945.db2.gz KATSCNGHKFITEK-CYBMUJFWSA-N 0 3 285.395 2.873 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCN(CCOc2ccc(F)cc2)C1 ZINC000257248994 190020196 /nfs/dbraw/zinc/02/01/96/190020196.db2.gz JGFDVILQQOYRBQ-ZDUSSCGKSA-N 0 3 289.354 2.726 40 0 CFABHN Cc1c[nH]c([C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 ZINC000257265686 190023493 /nfs/dbraw/zinc/02/34/93/190023493.db2.gz LZWBXKOHMCPWRU-MRXNPFEDSA-N 0 3 295.386 2.983 40 0 CFABHN CNc1cc([C@H]2CCCN(Cc3cnn(C)c3C)C2)ccn1 ZINC000257267897 190023570 /nfs/dbraw/zinc/02/35/70/190023570.db2.gz MJICTHDBAWBGCP-HNNXBMFYSA-N 0 3 299.422 2.545 40 0 CFABHN Fc1ccc(CN2CC[C@@H](c3ccnc4nccn43)C2)cc1 ZINC000257278433 190025360 /nfs/dbraw/zinc/02/53/60/190025360.db2.gz OCGGTVNQUYLLDJ-CQSZACIVSA-N 0 3 296.349 2.858 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257281786 190026065 /nfs/dbraw/zinc/02/60/65/190026065.db2.gz OQZWXJCMXNAJOH-MRXNPFEDSA-N 0 3 295.386 2.983 40 0 CFABHN COc1ccc([C@H]2CNCCN2Cc2ccc(C)nc2)cc1 ZINC000257295130 190028742 /nfs/dbraw/zinc/02/87/42/190028742.db2.gz QXBQTNIBAYPFHC-GOSISDBHSA-N 0 3 297.402 2.545 40 0 CFABHN Cc1nn(C)c(C)c1CN1CCC[C@@H](Cc2cccnc2)C1 ZINC000257298118 190029223 /nfs/dbraw/zinc/02/92/23/190029223.db2.gz RKFRCMGKDQJCFP-KRWDZBQOSA-N 0 3 298.434 2.887 40 0 CFABHN CN1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 ZINC000257311986 190032034 /nfs/dbraw/zinc/03/20/34/190032034.db2.gz ULXGWTVFCIZZGW-GFCCVEGCSA-N 0 3 275.352 2.584 40 0 CFABHN Cc1cccc(Nc2cncc([C@H]3CCCN(C)C3)n2)n1 ZINC000257328824 190034815 /nfs/dbraw/zinc/03/48/15/190034815.db2.gz XHFXPNITPWKAPC-ZDUSSCGKSA-N 0 3 283.379 2.733 40 0 CFABHN Cc1nc[nH]c1CN1CCC[C@@H](c2ccnc(N(C)C)c2)C1 ZINC000257331597 190035415 /nfs/dbraw/zinc/03/54/15/190035415.db2.gz XTNQDOYKNBABIS-OAHLLOKOSA-N 0 3 299.422 2.559 40 0 CFABHN Cc1ccnc([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000257332928 190035473 /nfs/dbraw/zinc/03/54/73/190035473.db2.gz XZJHOSBOVYFPJO-HNNXBMFYSA-N 0 3 253.349 2.775 40 0 CFABHN CN1CCC[C@@H](c2nc3ccc(-c4ccncc4)cn3n2)C1 ZINC000306137679 382452357 /nfs/dbraw/zinc/45/23/57/382452357.db2.gz RCZLZJQWRJLCLV-OAHLLOKOSA-N 0 3 293.374 2.601 40 0 CFABHN CC(C)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 ZINC000248005556 383206396 /nfs/dbraw/zinc/20/63/96/383206396.db2.gz PKADCLNMPYTTFH-QGZVFWFLSA-N 0 3 285.391 2.693 40 0 CFABHN C[C@]1(CO)CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380243 383453228 /nfs/dbraw/zinc/45/32/28/383453228.db2.gz NEPDTEDKCCEHIC-CHWSQXEVSA-N 0 3 273.298 2.679 40 0 CFABHN CCN1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257344338 383495188 /nfs/dbraw/zinc/49/51/88/383495188.db2.gz ZWTQBVZGNYMTRD-LLVKDONJSA-N 0 3 289.408 2.794 40 0 CFABHN c1ccc2c(c1)Cc1ccccc1N1CCNC[C@H]21 ZINC000005162701 285518197 /nfs/dbraw/zinc/51/81/97/285518197.db2.gz ZBILSSSEXRZGKS-QGZVFWFLSA-N 0 3 250.345 2.742 40 0 in-vitro CFABHN CCC(=O)N1N=C2[C@H]([C@H]1c1ccco1)[C@H](C)N(C)C[C@@H]2C ZINC000004724367 393458828 /nfs/dbraw/zinc/45/88/28/393458828.db2.gz URLGZASRDBGECB-FNNPODNZSA-N 0 3 289.379 2.515 40 0 CFABHN CCN(C)c1cc(C)c([C@@H](N)c2ccccc2)cn1 ZINC000072223245 393646585 /nfs/dbraw/zinc/64/65/85/393646585.db2.gz NGNGSZDOTXWYFI-INIZCTEOSA-N 0 3 255.365 2.894 40 0 CFABHN CCN(C)c1cc(C)c([C@H](N)c2ccccc2)cn1 ZINC000072223244 393646618 /nfs/dbraw/zinc/64/66/18/393646618.db2.gz NGNGSZDOTXWYFI-MRXNPFEDSA-N 0 3 255.365 2.894 40 0 CFABHN COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(C)c1)CNC2 ZINC000003847189 286259834 /nfs/dbraw/zinc/25/98/34/286259834.db2.gz OELWKTXQKFEKFJ-OAHLLOKOSA-N 0 3 299.370 2.953 40 0 CFABHN COc1cc2c(cc1OC)[C@@H](c1cc(C)ccc1N)NCC2 ZINC000005337251 286259856 /nfs/dbraw/zinc/25/98/56/286259856.db2.gz HGOFUSCHJKPINM-SFHVURJKSA-N 0 3 298.386 2.830 40 0 CFABHN CCOc1ccccc1[C@H](CN)N1CCC(C)CC1 ZINC000038827594 286582325 /nfs/dbraw/zinc/58/23/25/286582325.db2.gz MUEVFWSYYQFHSU-HNNXBMFYSA-N 0 3 262.397 2.817 40 0 CFABHN COC(=O)[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 ZINC000004769363 170013786 /nfs/dbraw/zinc/01/37/86/170013786.db2.gz XANXIGGTTWJFID-LBPRGKRZSA-N 0 3 272.348 2.553 40 0 CFABHN O=C(NCCN1CCCCC1)c1ccccc1Cl ZINC000005636680 170122645 /nfs/dbraw/zinc/12/26/45/170122645.db2.gz COOZGDXBKPIYQP-UHFFFAOYSA-N 0 3 266.772 2.556 40 0 CFABHN CCN(CC)C[C@H](O)c1cnc(-c2ccccc2)nc1C ZINC000006382427 170196684 /nfs/dbraw/zinc/19/66/84/170196684.db2.gz GACFZNGMCOHKSD-INIZCTEOSA-N 0 3 285.391 2.827 40 0 CFABHN CN1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876586 170388397 /nfs/dbraw/zinc/38/83/97/170388397.db2.gz NQCWEVMXQLOYNU-LLVKDONJSA-N 0 3 281.787 2.803 40 0 CFABHN O=C(NC1CC1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038850079 174158075 /nfs/dbraw/zinc/15/80/75/174158075.db2.gz VFBOLJZCSUJOIV-CYBMUJFWSA-N 0 3 292.810 2.831 40 0 CFABHN OCCC1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039043260 174161885 /nfs/dbraw/zinc/16/18/85/174161885.db2.gz RFZNFCJWJCJGGJ-UHFFFAOYSA-N 0 3 253.773 2.934 40 0 CFABHN CCOc1cc(CNCCOC)ccc1OCC(C)C ZINC000057901166 175603370 /nfs/dbraw/zinc/60/33/70/175603370.db2.gz GQZMXWGXEUGXKZ-UHFFFAOYSA-N 0 3 281.396 2.856 40 0 CFABHN COc1cccc(-c2nccc([C@H]3CCCN3C)n2)c1 ZINC000072376466 176384991 /nfs/dbraw/zinc/38/49/91/176384991.db2.gz WWHHPRIYMVUYBR-OAHLLOKOSA-N 0 3 269.348 2.919 40 0 CFABHN CC(C)N1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377468 176385680 /nfs/dbraw/zinc/38/56/80/176385680.db2.gz RWHLAYPWGIVUOE-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN c1csc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072381587 176387475 /nfs/dbraw/zinc/38/74/75/176387475.db2.gz SROBICZNHDSNON-CYBMUJFWSA-N 0 3 259.378 2.918 40 0 CFABHN c1csc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072381586 176387711 /nfs/dbraw/zinc/38/77/11/176387711.db2.gz SROBICZNHDSNON-ZDUSSCGKSA-N 0 3 259.378 2.918 40 0 CFABHN Cc1cccc(Nc2cc(C[C@@H]3CCCN(C)C3)ncn2)n1 ZINC000072383482 176388537 /nfs/dbraw/zinc/38/85/37/176388537.db2.gz KZFPOAYJSJNHSR-AWEZNQCLSA-N 0 3 297.406 2.808 40 0 CFABHN Cc1c(CN2CCC[C@@H](Cc3ccccn3)C2)cnn1C ZINC000072385661 176390490 /nfs/dbraw/zinc/39/04/90/176390490.db2.gz NBKFVNDXEMQTGX-HNNXBMFYSA-N 0 3 284.407 2.578 40 0 CFABHN CN(C)c1nc2ccccc2cc1CN1CCC[C@@H](CO)C1 ZINC000072397807 176395472 /nfs/dbraw/zinc/39/54/72/176395472.db2.gz XWKKTJFMPCKDQT-CQSZACIVSA-N 0 3 299.418 2.505 40 0 CFABHN CN1CCC2(COc3cc(Br)ccc32)CC1 ZINC000095629290 273873103 /nfs/dbraw/zinc/87/31/03/273873103.db2.gz NVESTSXXEOETFN-UHFFFAOYSA-N 0 3 282.181 2.805 40 0 CFABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2N=CC[C@@H]2c2ccccc2)C1 ZINC000017024820 274384166 /nfs/dbraw/zinc/38/41/66/274384166.db2.gz ZUUATDISHOXEKE-BFYDXBDKSA-N 0 3 299.418 2.924 40 0 CFABHN Clc1cc(Cl)c2nccc(N3CCNCC3)c2c1 ZINC000068136456 274880244 /nfs/dbraw/zinc/88/02/44/274880244.db2.gz IZFLQZHSZQERHS-UHFFFAOYSA-N 0 3 282.174 2.951 40 0 CFABHN c1cc(CN2CCC3(CCN(c4ncccn4)C3)CC2)co1 ZINC000096046592 275063991 /nfs/dbraw/zinc/06/39/91/275063991.db2.gz VJNKOJLOQNNQIU-UHFFFAOYSA-N 0 3 298.390 2.562 40 0 CFABHN CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CCN1)CO2 ZINC000306145497 275830255 /nfs/dbraw/zinc/83/02/55/275830255.db2.gz GWFSTOKHSPYEII-OAHLLOKOSA-N 0 3 276.336 2.615 40 0 CFABHN CCN(CC)[C@@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 ZINC000096056321 276337916 /nfs/dbraw/zinc/33/79/16/276337916.db2.gz VJFRUDMAFHNFBB-OAGGEKHMSA-N 0 3 294.464 2.822 40 0 CFABHN CCO[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048097 276339775 /nfs/dbraw/zinc/33/97/75/276339775.db2.gz PHCCTQHKROHACS-ZDUSSCGKSA-N 0 3 281.421 2.908 40 0 CFABHN CCN(CCO)[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777539 276349538 /nfs/dbraw/zinc/34/95/38/276349538.db2.gz MYDYCGXRWBPVSR-ZWKOTPCHSA-N 0 3 285.387 2.776 40 0 CFABHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)CNC2 ZINC000014984322 277855042 /nfs/dbraw/zinc/85/50/42/277855042.db2.gz VNEDJZCVRIKACP-OAHLLOKOSA-N 0 3 269.344 2.939 40 0 CFABHN O=C(c1ccccc1)C(CN1CCCC1)CN1CCCC1 ZINC000001576482 280211969 /nfs/dbraw/zinc/21/19/69/280211969.db2.gz PFDGTUINFCULIZ-UHFFFAOYSA-N 0 3 286.419 2.677 40 0 CFABHN CC1(C)[C@H]2CC[C@]1(C)c1nc(NC(=N)N)sc12 ZINC000035655782 281541391 /nfs/dbraw/zinc/54/13/91/281541391.db2.gz BAAJTJALKQDPJB-PWCHPLFNSA-N 0 3 250.371 2.623 40 0 CFABHN COc1ccc([C@@H]2CC(N)=NN2c2ccccc2)cc1 ZINC000222547329 295218295 /nfs/dbraw/zinc/21/82/95/295218295.db2.gz XCOYDYDKPIBMIT-HNNXBMFYSA-N 0 3 267.332 2.919 40 0 CFABHN CC(C)Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000242761048 519741027 /nfs/dbraw/zinc/74/10/27/519741027.db2.gz DMKIXLVRTAYVIB-UHFFFAOYSA-N 0 3 299.422 2.937 40 0 CFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000095533750 185006112 /nfs/dbraw/zinc/00/61/12/185006112.db2.gz DZJXCBMAWADBDB-AWEZNQCLSA-N 0 3 280.331 2.528 40 0 CFABHN COc1ccc(-c2nc([C@@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533387 185007436 /nfs/dbraw/zinc/00/74/36/185007436.db2.gz SUKZHKZTKQOLBD-AWEZNQCLSA-N 0 3 280.331 2.528 40 0 CFABHN COC[C@]12CCCO[C@H]1CCN(Cc1cccs1)C2 ZINC000096038969 185069211 /nfs/dbraw/zinc/06/92/11/185069211.db2.gz PBHNFRYUBRNYML-LSDHHAIUSA-N 0 3 281.421 2.766 40 0 CFABHN c1csc(CN2CC3(C2)CCN(Cc2ccncc2)C3)c1 ZINC000096046426 185072106 /nfs/dbraw/zinc/07/21/06/185072106.db2.gz UOKCSNVBHSYJFM-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048100 185073613 /nfs/dbraw/zinc/07/36/13/185073613.db2.gz VTOBFROBQVVSTA-CQSZACIVSA-N 0 3 281.421 2.908 40 0 CFABHN c1cnc2c(c1)CN(CC1CC1)CCN2CC1CC1 ZINC000096060983 185082206 /nfs/dbraw/zinc/08/22/06/185082206.db2.gz HUDQFZUXTKUHAE-UHFFFAOYSA-N 0 3 257.381 2.524 40 0 CFABHN CCN(CC)C(=O)c1ccc(CN2CCCC2)cc1 ZINC000010332421 346226347 /nfs/dbraw/zinc/22/63/47/346226347.db2.gz RBYFLECDOMUDBO-UHFFFAOYSA-N 0 3 260.381 2.764 40 0 CFABHN C[C@H](C(=N)NO)N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000409440389 348602599 /nfs/dbraw/zinc/60/25/99/348602599.db2.gz KSSUYPKZWAZTLQ-SECBINFHSA-N 0 3 271.361 2.511 40 0 CFABHN O=C(Nc1nc([C@H]2CCCN2)cs1)c1ccc(F)cc1 ZINC000585266534 348738538 /nfs/dbraw/zinc/73/85/38/348738538.db2.gz CZCJPIBXGSPXGT-LLVKDONJSA-N 0 3 291.351 2.959 40 0 CFABHN Cc1ccc2cc(CN[C@@H](CO)CC(C)C)c(=O)[nH]c2c1 ZINC000585293742 348738694 /nfs/dbraw/zinc/73/86/94/348738694.db2.gz LOELAQVGPNEZBB-OAHLLOKOSA-N 0 3 288.391 2.745 40 0 CFABHN Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4C)C3)CC2)cc1 ZINC000585102322 348734262 /nfs/dbraw/zinc/73/42/62/348734262.db2.gz WZKMACVATXKCRZ-SFHVURJKSA-N 0 3 298.430 2.723 40 0 CFABHN CC(C)N1CC2(C1)C[C@@H](OCc1ccccn1)CS2 ZINC000585105269 348734737 /nfs/dbraw/zinc/73/47/37/348734737.db2.gz RTCWAXJLUGWQKZ-CQSZACIVSA-N 0 3 278.421 2.567 40 0 CFABHN O=C1NCC[C@@]12CCCN(Cc1ccccc1Cl)CC2 ZINC000108527758 186220695 /nfs/dbraw/zinc/22/06/95/186220695.db2.gz YMLKADPSIDJVDM-MRXNPFEDSA-N 0 3 292.810 2.832 40 0 CFABHN NC(=O)c1cc2cc(CN3CCCCC3)ccc2o1 ZINC000001760375 371706715 /nfs/dbraw/zinc/70/67/15/371706715.db2.gz HFSRAJMZYZBTDK-UHFFFAOYSA-N 0 3 258.321 2.518 40 0 CFABHN CC/C=C/[C@@](O)(C(=O)OC1CCN(C)CC1)C1CCCC1 ZINC000001640749 371689876 /nfs/dbraw/zinc/68/98/76/371689876.db2.gz KZQMQKXFKZZRSP-ITHMCKDVSA-N 0 3 295.423 2.511 40 0 CFABHN CCCCNCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671750 371695785 /nfs/dbraw/zinc/69/57/85/371695785.db2.gz GJSLNIQQKZQLPR-UHFFFAOYSA-N 0 3 254.761 2.977 40 0 CFABHN COC(=O)C[C@H](c1ccc2c(c1)OCO2)N1CCCCC1 ZINC000001698269 371698630 /nfs/dbraw/zinc/69/86/30/371698630.db2.gz GBDXJARTMOJPFP-CYBMUJFWSA-N 0 3 291.347 2.505 40 0 CFABHN CN(Cc1ccccc1)CC(O)CN(C)Cc1ccccc1 ZINC000001729589 371703506 /nfs/dbraw/zinc/70/35/06/371703506.db2.gz XKIQVOMLRXPKJW-UHFFFAOYSA-N 0 3 298.430 2.611 40 0 CFABHN CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1 ZINC000006516122 371890355 /nfs/dbraw/zinc/89/03/55/371890355.db2.gz PGGYJWYDTAHEBI-UHFFFAOYSA-N 0 3 289.423 2.957 40 0 CFABHN C[C@@H]1CCCN(Cc2ccnc(-c3cccnc3)n2)C1 ZINC000019496572 372168912 /nfs/dbraw/zinc/16/89/12/372168912.db2.gz ZPWSVYDCLXMRRH-CYBMUJFWSA-N 0 3 268.364 2.771 40 0 CFABHN OCCOCCN(Cc1ccccc1)Cc1ccccc1 ZINC000034759415 372514074 /nfs/dbraw/zinc/51/40/74/372514074.db2.gz QLMUDNFDCHOWRU-UHFFFAOYSA-N 0 3 285.387 2.698 40 0 CFABHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2cccc(F)c2)C1 ZINC000046882583 373068299 /nfs/dbraw/zinc/06/82/99/373068299.db2.gz ZAIPCXQIUVHFBS-BETUJISGSA-N 0 3 278.371 2.533 40 0 CFABHN CSc1ccc(CN2CCC(CO)CC2)cc1 ZINC000046091345 373042835 /nfs/dbraw/zinc/04/28/35/373042835.db2.gz IHEBHNIGTIBTLE-UHFFFAOYSA-N 0 3 251.395 2.613 40 0 CFABHN N[C@H](c1ccccc1)c1cncc(Br)c1 ZINC000057343889 373588345 /nfs/dbraw/zinc/58/83/45/373588345.db2.gz RJPSANYVKQLMSV-GFCCVEGCSA-N 0 3 263.138 2.892 40 0 CFABHN Cc1nnc([C@H]2CCCN2)n1Cc1ccc(Cl)cc1 ZINC000066339728 373925741 /nfs/dbraw/zinc/92/57/41/373925741.db2.gz VJEBLYRZZRUHKU-CYBMUJFWSA-N 0 3 276.771 2.713 40 0 CFABHN OC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000070453124 374179716 /nfs/dbraw/zinc/17/97/16/374179716.db2.gz QFPCKGBFIFVKBY-GFCCVEGCSA-N 0 3 275.270 2.714 40 0 CFABHN CN1CCC(C(=O)Nc2ccccc2Cl)CC1 ZINC000073152932 374326467 /nfs/dbraw/zinc/32/64/67/374326467.db2.gz VKENIZSCGQBYCU-UHFFFAOYSA-N 0 3 252.745 2.620 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@H](NCc2cccc(F)c2)C1 ZINC000083552695 374752701 /nfs/dbraw/zinc/75/27/01/374752701.db2.gz KXNBOTFAXPBDBA-AWEZNQCLSA-N 0 3 294.370 2.925 40 0 CFABHN CSc1ccc(C(=O)C(C)(C)[C@H]2CNCCO2)cc1 ZINC000087491446 374824237 /nfs/dbraw/zinc/82/42/37/374824237.db2.gz RWUFUAMIIVQPBW-CYBMUJFWSA-N 0 3 279.405 2.606 40 0 CFABHN Cc1ccc(CN2CCC[C@@]3(CCCC(=O)N3)C2)s1 ZINC000096049942 375468329 /nfs/dbraw/zinc/46/83/29/375468329.db2.gz DSXCFCMLQAHBJF-HNNXBMFYSA-N 0 3 278.421 2.691 40 0 CFABHN CN1c2ccccc2C2(CCN(Cc3ccco3)CC2)C1=O ZINC000096052490 375468570 /nfs/dbraw/zinc/46/85/70/375468570.db2.gz TUAADKFSWAVDAC-UHFFFAOYSA-N 0 3 296.370 2.790 40 0 CFABHN CN1c2ccccc2C2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096052491 375468943 /nfs/dbraw/zinc/46/89/43/375468943.db2.gz RXGBCMLCVFEAJX-UHFFFAOYSA-N 0 3 296.370 2.790 40 0 CFABHN Cc1ccc(CN2CCO[C@H]3CN(CCC(C)C)C[C@H]32)o1 ZINC000096248807 375481983 /nfs/dbraw/zinc/48/19/83/375481983.db2.gz VUPCNUABYUSLPH-SJORKVTESA-N 0 3 292.423 2.519 40 0 CFABHN CCc1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 ZINC000096255018 375482239 /nfs/dbraw/zinc/48/22/39/375482239.db2.gz LTQJKGRXPHCSAY-UHFFFAOYSA-N 0 3 285.366 2.779 40 0 CFABHN CC(C)c1cc(CNCCc2ccccc2)n(C)n1 ZINC000256052334 190004398 /nfs/dbraw/zinc/00/43/98/190004398.db2.gz MXVZYHBRZSAKHX-UHFFFAOYSA-N 0 3 257.381 2.876 40 0 CFABHN CCc1nccn1-c1ccc([C@H]2CCCCN2C)cn1 ZINC000257229304 190015928 /nfs/dbraw/zinc/01/59/28/190015928.db2.gz FXOSRZPCBZWDLD-CQSZACIVSA-N 0 3 270.380 2.987 40 0 CFABHN COc1ccccc1[C@H]1CNCCN1Cc1ncccc1C ZINC000257222965 190014934 /nfs/dbraw/zinc/01/49/34/190014934.db2.gz DVHYQTYFYMUPKW-QGZVFWFLSA-N 0 3 297.402 2.545 40 0 CFABHN c1ccc(CN2CCC[C@H](c3ccncn3)C2)cc1 ZINC000257253446 190020883 /nfs/dbraw/zinc/02/08/83/190020883.db2.gz JYYONUDUALXNEX-HNNXBMFYSA-N 0 3 253.349 2.856 40 0 CFABHN CCn1cc(CN2CC[C@H](c3cc(NC)cc(C)n3)C2)cn1 ZINC000257242833 190018937 /nfs/dbraw/zinc/01/89/37/190018937.db2.gz IEJIMPMXDSFJCZ-HNNXBMFYSA-N 0 3 299.422 2.638 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000257252603 190020962 /nfs/dbraw/zinc/02/09/62/190020962.db2.gz JVJXCMCYLVBWEY-CQSZACIVSA-N 0 3 287.411 2.875 40 0 CFABHN Cc1nc[nH]c1CN1CCC(Cc2ccncc2)CC1 ZINC000257246246 190019074 /nfs/dbraw/zinc/01/90/74/190019074.db2.gz ITGWPROSFXLUTA-UHFFFAOYSA-N 0 3 270.380 2.568 40 0 CFABHN CC(C)n1nccc1-c1cnc(C[C@H]2CCCN(C)C2)cn1 ZINC000257271777 190024197 /nfs/dbraw/zinc/02/41/97/190024197.db2.gz MZTBTBLNDMJYLT-CQSZACIVSA-N 0 3 299.422 2.805 40 0 CFABHN CN(C)Cc1ccnc([C@@H]2CCCN2C2CCCC2)n1 ZINC000257258749 190021601 /nfs/dbraw/zinc/02/16/01/190021601.db2.gz KVISGWGBKPZYNN-HNNXBMFYSA-N 0 3 274.412 2.618 40 0 CFABHN Nc1nccnc1C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000257311610 190031798 /nfs/dbraw/zinc/03/17/98/190031798.db2.gz UKHKAAJZXRBVFP-HNNXBMFYSA-N 0 3 282.391 2.514 40 0 CFABHN Cc1ccc(Nc2nccc(C3CCN(C)CC3)n2)nc1 ZINC000257301149 190030290 /nfs/dbraw/zinc/03/02/90/190030290.db2.gz RXEGOERPMIURGR-UHFFFAOYSA-N 0 3 283.379 2.733 40 0 CFABHN Cc1c[nH]c([C@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257344924 190037459 /nfs/dbraw/zinc/03/74/59/190037459.db2.gz ZZGKFXQFVUJXHT-ZDUSSCGKSA-N 0 3 289.354 2.726 40 0 CFABHN CNc1cc([C@H]2CCCN(Cc3[nH]cnc3C)C2)ccn1 ZINC000257320759 190033256 /nfs/dbraw/zinc/03/32/56/190033256.db2.gz VYMFUCFZRJIUFB-AWEZNQCLSA-N 0 3 285.395 2.534 40 0 CFABHN CN1CCC(c2cccc(N3C(=O)OCC3(C)C)n2)CC1 ZINC000257329295 190034656 /nfs/dbraw/zinc/03/46/56/190034656.db2.gz XJFHIPMZOGJDNQ-UHFFFAOYSA-N 0 3 289.379 2.626 40 0 CFABHN c1ccc(O[C@@H]2C[C@H]3CN(Cc4cncnc4)C[C@H]3C2)cc1 ZINC000257332032 190035498 /nfs/dbraw/zinc/03/54/98/190035498.db2.gz XVLPYDSDCQPPOJ-VQFNDLOPSA-N 0 3 295.386 2.766 40 0 CFABHN c1cn(Cc2ccccn2)c([C@@H]2CNCc3ccccc32)n1 ZINC000306137762 382452482 /nfs/dbraw/zinc/45/24/82/382452482.db2.gz RFFSXBVQGBZRJP-QGZVFWFLSA-N 0 3 290.370 2.562 40 0 CFABHN CN1CCC[C@H](c2nc3ccc(-c4cccnc4)cn3n2)C1 ZINC000306138525 382453559 /nfs/dbraw/zinc/45/35/59/382453559.db2.gz RZTQQNRQFDVBLE-HNNXBMFYSA-N 0 3 293.374 2.601 40 0 CFABHN COCCNCc1cccn1-c1ccccc1Cl ZINC000223684493 382806249 /nfs/dbraw/zinc/80/62/49/382806249.db2.gz BEHANTRDLQIPSO-UHFFFAOYSA-N 0 3 264.756 2.867 40 0 CFABHN COc1c2c(c(C(C)(F)F)c3c1CN(C)CC3)OCO2 ZINC000242548823 382986581 /nfs/dbraw/zinc/98/65/81/382986581.db2.gz LVBPYJXXGKWKIY-UHFFFAOYSA-N 0 3 285.290 2.524 40 0 CFABHN c1cc2n(c1)C[C@H](Oc1cccnc1)CN(CC1CC1)C2 ZINC000253588754 383464213 /nfs/dbraw/zinc/46/42/13/383464213.db2.gz QTHVYINPHYCHJV-QGZVFWFLSA-N 0 3 283.375 2.556 40 0 CFABHN Cc1cncc([C@H]2CCCN(c3ccncc3)C2)n1 ZINC000257240720 383493087 /nfs/dbraw/zinc/49/30/87/383493087.db2.gz HUVFXEFVXPLRFF-ZDUSSCGKSA-N 0 3 254.337 2.564 40 0 CFABHN CN(Cc1ccncc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257205137 383493691 /nfs/dbraw/zinc/49/36/91/383493691.db2.gz AXVGNLNPBNLUKQ-MRXNPFEDSA-N 0 3 282.391 2.577 40 0 CFABHN COc1ccccc1[C@H]1CN(c2ccncc2)CCN1C ZINC000257268376 383495141 /nfs/dbraw/zinc/49/51/41/383495141.db2.gz MLKRHBJSNVIMSO-MRXNPFEDSA-N 0 3 283.375 2.583 40 0 CFABHN N[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC000261746738 383552325 /nfs/dbraw/zinc/55/23/25/383552325.db2.gz SSNWCEZBVVDBRS-BBWFWOEESA-N 0 3 286.419 2.956 40 0 CFABHN CC(C)(C)n1nc(C(F)(F)F)c(CN)c1Cl ZINC000057354238 256724190 /nfs/dbraw/zinc/72/41/90/256724190.db2.gz HNLVBDAHSSXVBY-UHFFFAOYSA-N 0 3 255.671 2.769 40 0 CFABHN CCC(=O)N1N=C2[C@@H]([C@H]1c1ccco1)[C@H](C)N(C)C[C@@H]2C ZINC000004724369 393459170 /nfs/dbraw/zinc/45/91/70/393459170.db2.gz URLGZASRDBGECB-KFYUAXIPSA-N 0 3 289.379 2.515 40 0 CFABHN CCC[C@H](NCC)C(=O)c1ccc(OC)c(OC)c1 ZINC000299817341 393463833 /nfs/dbraw/zinc/46/38/33/393463833.db2.gz WZVCLFAACAERMB-LBPRGKRZSA-N 0 3 265.353 2.665 40 0 in-vitro CFABHN CCCN1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216240 393645361 /nfs/dbraw/zinc/64/53/61/393645361.db2.gz XMWLTUXNRDTALY-MRXNPFEDSA-N 0 3 289.423 2.855 40 0 CFABHN CCn1c(CNC[C@@H]2CCCO2)ccc1CC(C)C ZINC000226020365 393770315 /nfs/dbraw/zinc/77/03/15/393770315.db2.gz KWVZNRKNACYCEB-INIZCTEOSA-N 0 3 264.413 2.975 40 0 CFABHN O=C1Nc2ccccc2C12CCN(Cc1ccoc1)CC2 ZINC000096052473 393814821 /nfs/dbraw/zinc/81/48/21/393814821.db2.gz ZPAPKBFCMZIVFW-UHFFFAOYSA-N 0 3 282.343 2.766 40 0 CFABHN Cc1ccccc1NC(=S)NC[C@@H]1CCCN(C)C1 ZINC000009876105 170387884 /nfs/dbraw/zinc/38/78/84/170387884.db2.gz GAXRISRXIXCFMB-ZDUSSCGKSA-N 0 3 277.437 2.623 40 0 CFABHN Cc1ccccc1NC(=S)NC[C@H]1CCCN(C)C1 ZINC000009876112 170388024 /nfs/dbraw/zinc/38/80/24/170388024.db2.gz GAXRISRXIXCFMB-CYBMUJFWSA-N 0 3 277.437 2.623 40 0 CFABHN CN1CCC[C@@H](CNC(=S)Nc2ccccc2Cl)C1 ZINC000009876185 170388348 /nfs/dbraw/zinc/38/83/48/170388348.db2.gz OPCOMJLSVVXKPT-NSHDSACASA-N 0 3 297.855 2.968 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000038101379 174117006 /nfs/dbraw/zinc/11/70/06/174117006.db2.gz GCKRLGREYLFMIA-GWCFXTLKSA-N 0 3 268.788 2.843 40 0 CFABHN CCN[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000041609145 174577159 /nfs/dbraw/zinc/57/71/59/174577159.db2.gz QHHVZFYRRDYLJB-QMMMGPOBSA-N 0 3 256.143 2.630 40 0 in-vitro CFABHN Cc1nccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072351180 176374263 /nfs/dbraw/zinc/37/42/63/176374263.db2.gz IBKOFXINEPOVQX-OAHLLOKOSA-N 0 3 268.364 2.560 40 0 CFABHN CCN1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 ZINC000072363449 176378462 /nfs/dbraw/zinc/37/84/62/176378462.db2.gz CXSRCWCPMBLBCO-CYBMUJFWSA-N 0 3 298.394 2.518 40 0 CFABHN c1cn2c(n1)nccc2[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000072367945 176382655 /nfs/dbraw/zinc/38/26/55/176382655.db2.gz LXAVOKATFPROSI-OAHLLOKOSA-N 0 3 293.374 2.504 40 0 CFABHN Cc1c(CN2CCC[C@H](Cc3ccccn3)C2)cnn1C ZINC000072385660 176390508 /nfs/dbraw/zinc/39/05/08/176390508.db2.gz NBKFVNDXEMQTGX-OAHLLOKOSA-N 0 3 284.407 2.578 40 0 CFABHN COCCN[C@H](C)c1ccn(Cc2ccccc2)c1 ZINC000078406167 177338656 /nfs/dbraw/zinc/33/86/56/177338656.db2.gz OGRGTVAVJABOGA-CQSZACIVSA-N 0 3 258.365 2.833 40 0 CFABHN CN1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000174384453 277025019 /nfs/dbraw/zinc/02/50/19/277025019.db2.gz UOSZKSAXUNGNTG-INIZCTEOSA-N 0 3 272.392 2.522 40 0 CFABHN Cc1cc(N)nc([C@@]2(C)CCCN2C2CCCC2)n1 ZINC000072388358 301330984 /nfs/dbraw/zinc/33/09/84/301330984.db2.gz DTYKTJMZDBJTMT-OAHLLOKOSA-N 0 3 260.385 2.621 40 0 CFABHN Cc1ccc(CNCCCNc2nc(C)cc(C)n2)o1 ZINC000062717891 333176051 /nfs/dbraw/zinc/17/60/51/333176051.db2.gz BQZKBZOXRFUWJA-UHFFFAOYSA-N 0 3 274.368 2.587 40 0 CFABHN Cc1ccc(NC(=S)NC2CCN(C)CC2)c(C)c1 ZINC000013775570 230371203 /nfs/dbraw/zinc/37/12/03/230371203.db2.gz VOJJLAQHGIHPEI-UHFFFAOYSA-N 0 3 277.437 2.684 40 0 CFABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096056787 185077373 /nfs/dbraw/zinc/07/73/73/185077373.db2.gz XKBHRIAJUFNVCY-CVEARBPZSA-N 0 3 279.380 2.687 40 0 CFABHN c1nc(CN2CCC3(C[C@@H](c4ccccc4)CO3)CC2)c[nH]1 ZINC000096089760 185095254 /nfs/dbraw/zinc/09/52/54/185095254.db2.gz NVITVIHPGSVTCW-MRXNPFEDSA-N 0 3 297.402 2.948 40 0 CFABHN c1ncc(CN2CCC3(C[C@@H](c4ccccc4)CO3)CC2)[nH]1 ZINC000096089760 185095256 /nfs/dbraw/zinc/09/52/56/185095256.db2.gz NVITVIHPGSVTCW-MRXNPFEDSA-N 0 3 297.402 2.948 40 0 CFABHN Cc1ccc(C[C@@H]2CCCN(Cc3cnn(C)c3)C2)cn1 ZINC000585181339 348738222 /nfs/dbraw/zinc/73/82/22/348738222.db2.gz OQYONURKQVOSQI-INIZCTEOSA-N 0 3 284.407 2.578 40 0 CFABHN COc1cc2c(cc1OC)[N+]([O-])=C(c1ccccc1)C2=O ZINC000001574876 371682472 /nfs/dbraw/zinc/68/24/72/371682472.db2.gz IKSZKMFNGWQMHC-UHFFFAOYSA-N 0 3 283.283 2.531 40 0 CFABHN Cc1c(CN2CCC(O)(c3ccc(C)cc3)CC2)cnn1C ZINC000012344297 371952084 /nfs/dbraw/zinc/95/20/84/371952084.db2.gz OTSMKSUQBLMSCO-UHFFFAOYSA-N 0 3 299.418 2.521 40 0 CFABHN c1cn(CCCN(Cc2c[nH]cn2)C[C@H]2CC=CCC2)cn1 ZINC000013991195 372057079 /nfs/dbraw/zinc/05/70/79/372057079.db2.gz QHOAOEPWGOZWAB-INIZCTEOSA-N 0 3 299.422 2.855 40 0 CFABHN Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000016758580 372119551 /nfs/dbraw/zinc/11/95/51/372119551.db2.gz UOIGYKBOEWYLBQ-GOSISDBHSA-N 0 3 297.398 2.793 40 0 CFABHN N[C@@H]1CCCN(C(=O)c2cccnc2)[C@H]1c1ccccc1F ZINC000019368246 372158254 /nfs/dbraw/zinc/15/82/54/372158254.db2.gz GUTWUDGAALFPSX-CVEARBPZSA-N 0 3 299.349 2.525 40 0 CFABHN COCCNCc1ccc(OC2CCCC2)c(OC)c1 ZINC000032126102 372430663 /nfs/dbraw/zinc/43/06/63/372430663.db2.gz MUABQQKXFPRSPP-UHFFFAOYSA-N 0 3 279.380 2.753 40 0 CFABHN CC(C)(C)OC(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000033995612 372503592 /nfs/dbraw/zinc/50/35/92/372503592.db2.gz JYIFMNXUMIYQHE-YIONKMFJSA-N 0 3 288.391 2.642 40 0 CFABHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccnc2)C1 ZINC000043324832 372989466 /nfs/dbraw/zinc/98/94/66/372989466.db2.gz JXBUOGOUJLTBTC-AWEZNQCLSA-N 0 3 291.395 2.571 40 0 CFABHN Fc1cccc([C@H]2CN(Cc3ccccc3)CCN2)c1 ZINC000056894958 373574468 /nfs/dbraw/zinc/57/44/68/373574468.db2.gz HIHFSVKKVHQRQF-QGZVFWFLSA-N 0 3 270.351 2.972 40 0 CFABHN CC[C@@H](C)Oc1ccc(CNCCOC)cc1OC ZINC000062731919 373765861 /nfs/dbraw/zinc/76/58/61/373765861.db2.gz JDQNHLZZXAJIEO-GFCCVEGCSA-N 0 3 267.369 2.609 40 0 CFABHN Cc1noc(C2CCN(CCc3ccccc3)CC2)n1 ZINC000064940016 373839691 /nfs/dbraw/zinc/83/96/91/373839691.db2.gz KWTQEHUNHLQYOR-UHFFFAOYSA-N 0 3 271.364 2.800 40 0 CFABHN CN(C)[C@@H](CNC(=O)C1CCC1)c1cn(C)c2ccccc12 ZINC000075149124 374463830 /nfs/dbraw/zinc/46/38/30/374463830.db2.gz WQGVTONDKHMVEV-KRWDZBQOSA-N 0 3 299.418 2.697 40 0 CFABHN CC(C)N(Cc1cccc(Br)c1)C(=O)[C@H](C)N ZINC000079420576 374609291 /nfs/dbraw/zinc/60/92/91/374609291.db2.gz BVWLQXYGYKBWNX-JTQLQIEISA-N 0 3 299.212 2.533 40 0 CFABHN CC(C)N(C(=O)CN)[C@@H](C)c1cccc(Cl)c1 ZINC000079421123 374610534 /nfs/dbraw/zinc/61/05/34/374610534.db2.gz STQZXHUKEHJJNW-JTQLQIEISA-N 0 3 254.761 2.597 40 0 CFABHN Cc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1 ZINC000081247637 374689535 /nfs/dbraw/zinc/68/95/35/374689535.db2.gz PRRPSKTZWNFBJZ-ZDUSSCGKSA-N 0 3 260.381 2.514 40 0 CFABHN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000082325397 374736114 /nfs/dbraw/zinc/73/61/14/374736114.db2.gz GLQJLRBLJYULNM-SNVBAGLBSA-N 0 3 282.771 2.629 40 0 CFABHN CN1CCC[C@H](C(=O)Nc2ccccc2Br)C1 ZINC000082335784 374737965 /nfs/dbraw/zinc/73/79/65/374737965.db2.gz ATRJKBLUSWHVIT-JTQLQIEISA-N 0 3 297.196 2.729 40 0 CFABHN CN1CCCC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096217564 375479449 /nfs/dbraw/zinc/47/94/49/375479449.db2.gz BTHYKMLGLYSEDA-INIZCTEOSA-N 0 3 259.397 2.532 40 0 CFABHN CCn1nc(C)c(CNCCc2cccc(OC)c2)c1F ZINC000256051618 190003667 /nfs/dbraw/zinc/00/36/67/190003667.db2.gz JWVHARQUNIRJPP-UHFFFAOYSA-N 0 3 291.370 2.691 40 0 CFABHN CC[C@@H](C)n1nccc1CNCCCOC(C)C ZINC000256051347 190004028 /nfs/dbraw/zinc/00/40/28/190004028.db2.gz IUIJIBDAJVYVLQ-CYBMUJFWSA-N 0 3 253.390 2.759 40 0 CFABHN Cn1ncc(CNCCc2ccccc2)c1C(F)(F)F ZINC000256052799 190004513 /nfs/dbraw/zinc/00/45/13/190004513.db2.gz OSVSVLGABAXKDX-UHFFFAOYSA-N 0 3 283.297 2.771 40 0 CFABHN CN(C)Cc1cncc([C@@H]2CCCN2C2CCCC2)n1 ZINC000257205799 190011474 /nfs/dbraw/zinc/01/14/74/190011474.db2.gz BAPIHZBFUPWOBG-INIZCTEOSA-N 0 3 274.412 2.618 40 0 CFABHN Nc1nccnc1C[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000257212045 190013152 /nfs/dbraw/zinc/01/31/52/190013152.db2.gz CBRRADULQKEIBW-LBPRGKRZSA-N 0 3 288.420 2.575 40 0 CFABHN CC(C)n1cc(-c2cnc(C[C@H]3CCCN(C)C3)cn2)cn1 ZINC000257222311 190014744 /nfs/dbraw/zinc/01/47/44/190014744.db2.gz DSUUNAUCCZWGHI-CQSZACIVSA-N 0 3 299.422 2.805 40 0 CFABHN c1csc(CN2CCC[C@H](Cc3cc[nH]n3)C2)c1 ZINC000257234789 190017313 /nfs/dbraw/zinc/01/73/13/190017313.db2.gz GVCSGCRSWJWDGF-GFCCVEGCSA-N 0 3 261.394 2.926 40 0 CFABHN CN1CCC[C@@]2(C)[C@H]1CCCN2Cc1cccnc1 ZINC000257243583 190018557 /nfs/dbraw/zinc/01/85/57/190018557.db2.gz IHQIFQXQRPAJRW-CVEARBPZSA-N 0 3 259.397 2.530 40 0 CFABHN CN(C)c1nc([C@@H]2CCCN2CC2CC2)cn2cccc12 ZINC000257251403 190019969 /nfs/dbraw/zinc/01/99/69/190019969.db2.gz JQQAGPMPXAINOK-HNNXBMFYSA-N 0 3 284.407 2.947 40 0 CFABHN CCCCc1nc(CN2CC[C@@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257266189 190022962 /nfs/dbraw/zinc/02/29/62/190022962.db2.gz MBYAGTNQOJWXMH-CYBMUJFWSA-N 0 3 287.411 2.773 40 0 CFABHN CCCCc1ncc(CN2CC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257266189 190022963 /nfs/dbraw/zinc/02/29/63/190022963.db2.gz MBYAGTNQOJWXMH-CYBMUJFWSA-N 0 3 287.411 2.773 40 0 CFABHN CCn1nccc1-c1cc(C)nc(CC2CCN(C)CC2)n1 ZINC000257309339 190031480 /nfs/dbraw/zinc/03/14/80/190031480.db2.gz UAOMCPUBUJHDDH-UHFFFAOYSA-N 0 3 299.422 2.553 40 0 CFABHN Cc1ccc(CN2CCC[C@H](c3ccncn3)C2)cn1 ZINC000257292165 190027819 /nfs/dbraw/zinc/02/78/19/190027819.db2.gz QKGSLOWDLUGOSY-HNNXBMFYSA-N 0 3 268.364 2.560 40 0 CFABHN COc1ccc(CN2CC[C@H](c3nc(C)c[nH]3)C2)c(F)c1 ZINC000257293283 190028409 /nfs/dbraw/zinc/02/84/09/190028409.db2.gz QOWOLKIBNJYCPC-ZDUSSCGKSA-N 0 3 289.354 2.855 40 0 CFABHN CC(C)n1ccnc1CN1CCNC[C@H]1c1ccccc1 ZINC000257300055 190029195 /nfs/dbraw/zinc/02/91/95/190029195.db2.gz RSSHOIAWCDJONI-INIZCTEOSA-N 0 3 284.407 2.611 40 0 CFABHN Cc1ncsc1C(=O)N1CCC[C@H]2N(C)CCC[C@@]21C ZINC000257319130 190033604 /nfs/dbraw/zinc/03/36/04/190033604.db2.gz VQXQMIXJFIZCLL-DOMZBBRYSA-N 0 3 293.436 2.540 40 0 CFABHN CN1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257334776 190036184 /nfs/dbraw/zinc/03/61/84/190036184.db2.gz YHIRBEGNWRDTSH-ILXRZTDVSA-N 0 3 276.355 2.630 40 0 CFABHN CCn1nccc1-c1nccnc1[C@H]1CCCN(C(C)C)C1 ZINC000257341197 190037097 /nfs/dbraw/zinc/03/70/97/190037097.db2.gz ZJGTWBINSQQIPP-AWEZNQCLSA-N 0 3 299.422 2.948 40 0 CFABHN CCN1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000257344339 190037845 /nfs/dbraw/zinc/03/78/45/190037845.db2.gz ZWTQBVZGNYMTRD-NSHDSACASA-N 0 3 289.408 2.794 40 0 CFABHN CC(C)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 ZINC000225484755 382817045 /nfs/dbraw/zinc/81/70/45/382817045.db2.gz UBQNUYCYKMRRNF-ZDUSSCGKSA-N 0 3 278.327 2.765 40 0 biogenic,in-vitro CFABHN CC(C)N1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225482198 382817362 /nfs/dbraw/zinc/81/73/62/382817362.db2.gz UAMSHBMLEGPHGI-ZDUSSCGKSA-N 0 3 260.337 2.626 40 0 biogenic,in-vitro CFABHN C[C@@H]1CCCN([C@H](CN)c2ccc(F)cc2F)C1 ZINC000252221653 383406040 /nfs/dbraw/zinc/40/60/40/383406040.db2.gz ZERAQKLSEVJDKP-QMTHXVAHSA-N 0 3 254.324 2.697 40 0 CFABHN CCN1CC[C@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000249694631 383356886 /nfs/dbraw/zinc/35/68/86/383356886.db2.gz PHBHBAPCLDGUFX-IEBWSBKVSA-N 0 3 298.430 2.661 40 0 CFABHN COc1ccccc1[C@@H]1CN(c2ccncc2)CCN1C ZINC000257268375 383495425 /nfs/dbraw/zinc/49/54/25/383495425.db2.gz MLKRHBJSNVIMSO-INIZCTEOSA-N 0 3 283.375 2.583 40 0 CFABHN N[C@H](CC1CCCCC1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 ZINC000261746744 383552287 /nfs/dbraw/zinc/55/22/87/383552287.db2.gz SSNWCEZBVVDBRS-ZACQAIPSSA-N 0 3 286.419 2.956 40 0 CFABHN c1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cc1 ZINC000096112703 285478042 /nfs/dbraw/zinc/47/80/42/285478042.db2.gz XGSNUJOURZMNAQ-HNNXBMFYSA-N 0 3 293.370 2.897 40 0 biogenic,in-vitro CFABHN COCCNCc1cccn1Cc1ccc(C)cc1 ZINC000035293081 393520982 /nfs/dbraw/zinc/52/09/82/393520982.db2.gz KVKZHFMDBKDVCL-UHFFFAOYSA-N 0 3 258.365 2.581 40 0 CFABHN CCN(C)c1ccc([C@H](N)c2ccccc2)c(C)n1 ZINC000072224287 393647871 /nfs/dbraw/zinc/64/78/71/393647871.db2.gz ZLFAKSKLVQQWNY-MRXNPFEDSA-N 0 3 255.365 2.894 40 0 CFABHN CCOc1cc(CNCCOC)cc2ccccc21 ZINC000096527833 393838100 /nfs/dbraw/zinc/83/81/00/393838100.db2.gz QTNWJENYEXXTJW-UHFFFAOYSA-N 0 3 259.349 2.975 40 0 CFABHN Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC(C)C)o1 ZINC000096055787 393814145 /nfs/dbraw/zinc/81/41/45/393814145.db2.gz QUARSKKOMDYIIQ-UONOGXRCSA-N 0 3 276.380 2.533 40 0 CFABHN C[C@@H](O)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004777571 170015477 /nfs/dbraw/zinc/01/54/77/170015477.db2.gz YEUANSOODKQTER-FHLIZLRMSA-N 0 3 285.387 2.822 40 0 CFABHN CCN(CC)CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000005469518 170102375 /nfs/dbraw/zinc/10/23/75/170102375.db2.gz XJFAWDMTZRPFNY-UHFFFAOYSA-N 0 3 277.364 2.763 40 0 CFABHN Cc1ccc(C)c(NC(=S)NC[C@@H]2CCCN(C)C2)c1 ZINC000009876143 170388243 /nfs/dbraw/zinc/38/82/43/170388243.db2.gz GDCFZJUDLBRQIH-AWEZNQCLSA-N 0 3 291.464 2.932 40 0 CFABHN CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000038832139 174157249 /nfs/dbraw/zinc/15/72/49/174157249.db2.gz XPTGMZYOINEEDB-ZDUSSCGKSA-N 0 3 280.799 2.688 40 0 CFABHN Cc1ccc(C(=O)NCCN2CCCCC2)c(C)c1 ZINC000046855137 175399713 /nfs/dbraw/zinc/39/97/13/175399713.db2.gz CGVZBQYASJYHAC-UHFFFAOYSA-N 0 3 260.381 2.519 40 0 CFABHN Cc1ccc(C)c(C(=O)NCCN2CCCCC2)c1 ZINC000046855215 175399746 /nfs/dbraw/zinc/39/97/46/175399746.db2.gz ASISNOHJVAQQNC-UHFFFAOYSA-N 0 3 260.381 2.519 40 0 CFABHN COc1ccccc1-c1cnc([C@@H]2CCCN(C)C2)cn1 ZINC000072360684 176377026 /nfs/dbraw/zinc/37/70/26/176377026.db2.gz PKZKEICJWWMWKH-CYBMUJFWSA-N 0 3 283.375 2.961 40 0 CFABHN CC(C)[N@@H+]1CCC[C@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361659 176377383 /nfs/dbraw/zinc/37/73/83/176377383.db2.gz JFDSTESDHLTCAZ-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361659 176377384 /nfs/dbraw/zinc/37/73/84/176377384.db2.gz JFDSTESDHLTCAZ-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@@H+]1CCC[C@@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361660 176377682 /nfs/dbraw/zinc/37/76/82/176377682.db2.gz JFDSTESDHLTCAZ-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@@H](c2cnc([N-]c3ncccn3)cn2)C1 ZINC000072361660 176377684 /nfs/dbraw/zinc/37/76/84/176377684.db2.gz JFDSTESDHLTCAZ-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN c1ccc(CC2CCN(Cc3ccncc3)CC2)nc1 ZINC000072363807 176378084 /nfs/dbraw/zinc/37/80/84/176378084.db2.gz FCDCQESIDIHBOF-UHFFFAOYSA-N 0 3 267.376 2.931 40 0 CFABHN Cc1ccc([C@H]2CCCN(Cc3cnn(C)c3)C2)nc1 ZINC000072364263 176378871 /nfs/dbraw/zinc/37/88/71/176378871.db2.gz PESKQNCYWFWMCT-HNNXBMFYSA-N 0 3 270.380 2.503 40 0 CFABHN c1cc(CN2CCC[C@H](c3ccncc3)C2)ccn1 ZINC000072367929 176382181 /nfs/dbraw/zinc/38/21/81/176382181.db2.gz YIPRVTYOJGXJTI-INIZCTEOSA-N 0 3 253.349 2.856 40 0 CFABHN c1cncc(CN2CCC[C@@H](c3ccncc3)C2)c1 ZINC000072367963 176382347 /nfs/dbraw/zinc/38/23/47/176382347.db2.gz UJISCIFCYZQGBE-MRXNPFEDSA-N 0 3 253.349 2.856 40 0 CFABHN Cc1ccc(Nc2nccc([C@@H]3CCCN(C)C3)n2)nc1 ZINC000072377374 176385897 /nfs/dbraw/zinc/38/58/97/176385897.db2.gz LJUGXJNLBITZRS-CYBMUJFWSA-N 0 3 283.379 2.733 40 0 CFABHN CN1CCC[C@@H](c2ccc(NCC(F)F)cn2)C1 ZINC000072383422 176388945 /nfs/dbraw/zinc/38/89/45/176388945.db2.gz IAXGPXJCHMJSQL-SNVBAGLBSA-N 0 3 255.312 2.568 40 0 CFABHN c1ccc(CN2CCC[C@H](Cc3cccnc3)C2)nc1 ZINC000072385072 176389406 /nfs/dbraw/zinc/38/94/06/176389406.db2.gz XNUPQOPYEVOEFH-MRXNPFEDSA-N 0 3 267.376 2.931 40 0 CFABHN c1ccc(CN2CCC[C@@H](Cc3cccnc3)C2)nc1 ZINC000072385073 176389567 /nfs/dbraw/zinc/38/95/67/176389567.db2.gz XNUPQOPYEVOEFH-INIZCTEOSA-N 0 3 267.376 2.931 40 0 CFABHN Fc1ccc(-c2cc(CN3CCCC3)c3nnnn3c2)cc1 ZINC000072392327 176394522 /nfs/dbraw/zinc/39/45/22/176394522.db2.gz FLFGAWFUUBUZNO-UHFFFAOYSA-N 0 3 297.337 2.526 40 0 CFABHN CCCCCCNCc1cnc(NC(C)C)nc1 ZINC000062717617 262302347 /nfs/dbraw/zinc/30/23/47/262302347.db2.gz GXDZMBFMRPOMCX-UHFFFAOYSA-N 0 3 250.390 2.967 40 0 CFABHN CC(C)Nc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717623 262302468 /nfs/dbraw/zinc/30/24/68/262302468.db2.gz KXLQBXFBTPIJJI-UHFFFAOYSA-N 0 3 288.370 2.768 40 0 CFABHN CCCCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717803 262303047 /nfs/dbraw/zinc/30/30/47/262303047.db2.gz KECAHLODNFCRON-UHFFFAOYSA-N 0 3 262.401 2.747 40 0 CFABHN COc1cc2c(cc1O)[C@H](Cc1ccccc1)NCC2 ZINC000003847351 274102495 /nfs/dbraw/zinc/10/24/95/274102495.db2.gz DEXYHUSGCBRSQF-HNNXBMFYSA-N 0 3 269.344 2.830 40 0 CFABHN O=C1CC[C@@H]2NCCc3c4cc(Cl)ccc4n1c32 ZINC000031297735 275018085 /nfs/dbraw/zinc/01/80/85/275018085.db2.gz KJRKCWPQTXNNOM-NSHDSACASA-N 0 3 260.724 2.916 40 0 in-man CFABHN CCN1CCN(Cc2c3cccnc3[nH]c2C(C)C)CC1 ZINC000072393729 276196470 /nfs/dbraw/zinc/19/64/70/276196470.db2.gz JXHWXSWESIPPFU-UHFFFAOYSA-N 0 3 286.423 2.824 40 0 CFABHN FC(F)(F)CCN1CCNC[C@@H]1c1ccccc1 ZINC000085451789 303113097 /nfs/dbraw/zinc/11/30/97/303113097.db2.gz MMFHKYUPSHAQIQ-GFCCVEGCSA-N 0 3 258.287 2.585 40 0 CFABHN NCC1=NOC(c2ccccc2)(c2ccccc2)C1 ZINC000222551549 303371024 /nfs/dbraw/zinc/37/10/24/303371024.db2.gz FBICQTFRJQWMBV-UHFFFAOYSA-N 0 3 252.317 2.665 40 0 CFABHN COCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007541206 230370245 /nfs/dbraw/zinc/37/02/45/230370245.db2.gz AYNHHXLHOHWHMZ-GFCCVEGCSA-N 0 3 275.348 2.736 40 0 CFABHN COc1ccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)cc1 ZINC000095533386 185006387 /nfs/dbraw/zinc/00/63/87/185006387.db2.gz SUKZHKZTKQOLBD-CQSZACIVSA-N 0 3 280.331 2.528 40 0 CFABHN Cc1noc(C)c1CN1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC000096054652 185075575 /nfs/dbraw/zinc/07/55/75/185075575.db2.gz NVSPLQOPIYBMOD-PHIMTYICSA-N 0 3 256.296 2.769 40 0 CFABHN CCc1ncnc2c1CCN(Cc1ccc(OC)cc1)CC2 ZINC000096058606 185078464 /nfs/dbraw/zinc/07/84/64/185078464.db2.gz YYGWMIBVWMYZRH-UHFFFAOYSA-N 0 3 297.402 2.648 40 0 CFABHN COCCN1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000053400154 346545600 /nfs/dbraw/zinc/54/56/00/346545600.db2.gz MWQZZVGKDNDBNS-AWEZNQCLSA-N 0 3 277.364 2.631 40 0 CFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3ccc(C)o3)C2)C1 ZINC000585103461 348734143 /nfs/dbraw/zinc/73/41/43/348734143.db2.gz XCMFPJIQDFLVMD-HNNXBMFYSA-N 0 3 292.423 2.521 40 0 CFABHN C[C@H](NC(=O)[C@@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000019806841 299205986 /nfs/dbraw/zinc/20/59/86/299205986.db2.gz YBIMVCRJKAICAR-HANOVZDXSA-N 0 3 290.451 2.850 40 0 CFABHN CCCCNc1n[nH]c(NCCCC)c2ncnc1-2 ZINC000001601375 371686761 /nfs/dbraw/zinc/68/67/61/371686761.db2.gz YTLHJRSAUCFWPQ-UHFFFAOYSA-N 0 3 262.361 2.777 40 0 CFABHN CCN(CCO)[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001666011 371694239 /nfs/dbraw/zinc/69/42/39/371694239.db2.gz MYDYCGXRWBPVSR-QZTJIDSGSA-N 0 3 285.387 2.776 40 0 CFABHN CCN(CC)CCOC(=O)c1ccc(N)c2ccccc12 ZINC000001673510 371695772 /nfs/dbraw/zinc/69/57/72/371695772.db2.gz ZSYWYFNJKDJHKS-UHFFFAOYSA-N 0 3 286.375 2.921 40 0 CFABHN O[C@H](CN[C@@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718124 371702123 /nfs/dbraw/zinc/70/21/23/371702123.db2.gz MXUUOMBREIUEQT-CRAIPNDOSA-N 0 3 283.371 2.703 40 0 CFABHN CCc1ccc(CNCCNC(=O)c2cccs2)cc1 ZINC000004498122 371859126 /nfs/dbraw/zinc/85/91/26/371859126.db2.gz VDNCWAFHLAOPEN-UHFFFAOYSA-N 0 3 288.416 2.830 40 0 CFABHN O[C@@H]1CCCN(Cc2c3cccnc3[nH]c2-c2ccco2)C1 ZINC000019345215 372156449 /nfs/dbraw/zinc/15/64/49/372156449.db2.gz KREMQPAXYZWGNZ-GFCCVEGCSA-N 0 3 297.358 2.780 40 0 CFABHN OCC[C@H]1CCCCN1Cc1ccc2ccccc2n1 ZINC000019376330 372158397 /nfs/dbraw/zinc/15/83/97/372158397.db2.gz QSSJZSUBDVVDEH-MRXNPFEDSA-N 0 3 270.376 2.972 40 0 CFABHN C[C@@H]1CCCN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019496574 372168681 /nfs/dbraw/zinc/16/86/81/372168681.db2.gz YSOQIJBAYDAWOY-CYBMUJFWSA-N 0 3 268.364 2.771 40 0 CFABHN C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1ccccn1 ZINC000019747531 372184116 /nfs/dbraw/zinc/18/41/16/372184116.db2.gz XXPTXWRZQCCNLN-CYBMUJFWSA-N 0 3 287.407 2.523 40 0 CFABHN CC(C)COc1ccccc1CNC[C@H]1CCCO1 ZINC000032113242 372429427 /nfs/dbraw/zinc/42/94/27/372429427.db2.gz BETPWKCOUJVJEL-OAHLLOKOSA-N 0 3 263.381 2.990 40 0 CFABHN COc1cc(CNC[C@H]2CCCO2)ccc1OCC(C)C ZINC000032156546 372434291 /nfs/dbraw/zinc/43/42/91/372434291.db2.gz PNGCBQOVOLXFDZ-OAHLLOKOSA-N 0 3 293.407 2.999 40 0 CFABHN CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)C(C)C ZINC000037808706 372719261 /nfs/dbraw/zinc/71/92/61/372719261.db2.gz NGRJYVPGQHAPAC-ZDUSSCGKSA-N 0 3 268.788 2.672 40 0 CFABHN COc1ccccc1CNC[C@@H](C)C(=O)OC(C)(C)C ZINC000047219117 373085150 /nfs/dbraw/zinc/08/51/50/373085150.db2.gz XDRIGUFYNGHEEQ-GFCCVEGCSA-N 0 3 279.380 2.763 40 0 CFABHN Cc1ccc(CNCCNc2nc(C)cc(C)n2)cc1 ZINC000062717844 373763558 /nfs/dbraw/zinc/76/35/58/373763558.db2.gz FJCRIXKGXXXBJW-UHFFFAOYSA-N 0 3 270.380 2.604 40 0 CFABHN Cn1nc(C2CCCCC2)cc1NC(=O)[C@H](N)C1CCC1 ZINC000333876585 205794640 /nfs/dbraw/zinc/79/46/40/205794640.db2.gz VKRKOFIUUWIAKA-OAHLLOKOSA-N 0 3 290.411 2.534 40 0 CFABHN Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(C)CC2)c1 ZINC000072812992 374289022 /nfs/dbraw/zinc/28/90/22/374289022.db2.gz XXPLZRNSWDQDGQ-AWEZNQCLSA-N 0 3 274.408 2.822 40 0 CFABHN CN1CCC[C@H](C(=O)Nc2ccccc2Cl)C1 ZINC000073152935 374326405 /nfs/dbraw/zinc/32/64/05/374326405.db2.gz VBBVYEKKKDLULD-JTQLQIEISA-N 0 3 252.745 2.620 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000083552697 374752930 /nfs/dbraw/zinc/75/29/30/374752930.db2.gz KXNBOTFAXPBDBA-CQSZACIVSA-N 0 3 294.370 2.925 40 0 CFABHN COC1CC2(C1)CCN(Cc1c(C)noc1C)CC2 ZINC000096159325 375472049 /nfs/dbraw/zinc/47/20/49/375472049.db2.gz LHMWBXDIYZLAEX-UHFFFAOYSA-N 0 3 264.369 2.682 40 0 CFABHN Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)n1 ZINC000096184738 375475920 /nfs/dbraw/zinc/47/59/20/375475920.db2.gz OSYLPGAYQITIDT-MSOLQXFVSA-N 0 3 297.402 2.832 40 0 CFABHN CCO[C@@H]1COC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096220605 375479494 /nfs/dbraw/zinc/47/94/94/375479494.db2.gz XGRMODUKDWRDOL-INIZCTEOSA-N 0 3 293.382 2.986 40 0 CFABHN Cc1ccc(CN2CC[C@@]3(C2)c2ccccc2N(C)C3=O)o1 ZINC000096244803 375481042 /nfs/dbraw/zinc/48/10/42/375481042.db2.gz PRIJEEJFLAIHRS-GOSISDBHSA-N 0 3 296.370 2.708 40 0 CFABHN CC(C)N1CCC2(CC1)CN(C)C(=O)C[C@H]2C(F)(F)F ZINC000096261794 375483039 /nfs/dbraw/zinc/48/30/39/375483039.db2.gz IIVVZMAEVCHGOR-LLVKDONJSA-N 0 3 292.345 2.518 40 0 CFABHN CCCn1cc(CNCCCOC(C)C)c(C)n1 ZINC000256050877 190002948 /nfs/dbraw/zinc/00/29/48/190002948.db2.gz GVKMEMAICIDGRU-UHFFFAOYSA-N 0 3 253.390 2.506 40 0 CFABHN O[C@H]1CCN(Cc2cc3ccccc3o2)C[C@@]12CCCO2 ZINC000257211508 190012689 /nfs/dbraw/zinc/01/26/89/190012689.db2.gz BZCSGXCKAGDUGA-IRXDYDNUSA-N 0 3 287.359 2.549 40 0 CFABHN Cc1cc(-c2cc[nH]n2)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000257226964 190015523 /nfs/dbraw/zinc/01/55/23/190015523.db2.gz FNAIKZYVQNADBL-CYBMUJFWSA-N 0 3 285.395 2.763 40 0 CFABHN CC(C)n1cc(-c2cnc(C[C@@H]3CCCN(C)C3)cn2)cn1 ZINC000257222310 190014412 /nfs/dbraw/zinc/01/44/12/190014412.db2.gz DSUUNAUCCZWGHI-AWEZNQCLSA-N 0 3 299.422 2.805 40 0 CFABHN Cc1c[nH]c([C@H]2CCN(Cc3ccccc3F)C2)n1 ZINC000257225060 190015144 /nfs/dbraw/zinc/01/51/44/190015144.db2.gz FEQBNLSJSLWKMQ-ZDUSSCGKSA-N 0 3 259.328 2.847 40 0 CFABHN CC(C)n1nccc1CN1CCNC[C@@H]1c1ccccc1 ZINC000257237367 190017733 /nfs/dbraw/zinc/01/77/33/190017733.db2.gz HGCXXQGOYKARBT-QGZVFWFLSA-N 0 3 284.407 2.611 40 0 CFABHN Cc1[nH]ncc1CN1Cc2nccn2C[C@@H]1c1ccccc1 ZINC000257238793 190018129 /nfs/dbraw/zinc/01/81/29/190018129.db2.gz HMNYILLNVSAAQY-MRXNPFEDSA-N 0 3 293.374 2.672 40 0 CFABHN CCCCc1nc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)c[nH]1 ZINC000257252082 190020222 /nfs/dbraw/zinc/02/02/22/190020222.db2.gz JTMMAZWQWSKAQM-CYBMUJFWSA-N 0 3 287.411 2.773 40 0 CFABHN CCCCc1ncc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)[nH]1 ZINC000257252082 190020223 /nfs/dbraw/zinc/02/02/23/190020223.db2.gz JTMMAZWQWSKAQM-CYBMUJFWSA-N 0 3 287.411 2.773 40 0 CFABHN Cc1cc(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)n[nH]1 ZINC000257266711 190023601 /nfs/dbraw/zinc/02/36/01/190023601.db2.gz MEDKNPCCUAQHCA-ZDUSSCGKSA-N 0 3 285.395 2.763 40 0 CFABHN CNc1cc([C@H]2CCCN(Cc3cccnc3)C2)ccn1 ZINC000257272184 190023628 /nfs/dbraw/zinc/02/36/28/190023628.db2.gz NBIVUYDFPQCYJW-INIZCTEOSA-N 0 3 282.391 2.898 40 0 CFABHN c1ncc(CN2CCC[C@@H](Cc3ccccn3)C2)s1 ZINC000257306992 190031464 /nfs/dbraw/zinc/03/14/64/190031464.db2.gz SWUVDBVJVRDCBA-ZDUSSCGKSA-N 0 3 273.405 2.993 40 0 CFABHN CNc1cc(C)nc([C@@H]2CCN(Cc3ccncc3)C2)c1 ZINC000257333102 190035734 /nfs/dbraw/zinc/03/57/34/190035734.db2.gz YADWCNINSPBORK-OAHLLOKOSA-N 0 3 282.391 2.816 40 0 CFABHN O[C@@H](CN[C@@H]1CCCC[C@@H]1C(F)(F)F)C(F)(F)F ZINC000124289906 377034997 /nfs/dbraw/zinc/03/49/97/377034997.db2.gz JEJCURJKGQZYBR-RNJXMRFFSA-N 0 3 279.224 2.620 40 0 CFABHN CC(C)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 ZINC000248005552 383206532 /nfs/dbraw/zinc/20/65/32/383206532.db2.gz PKADCLNMPYTTFH-KRWDZBQOSA-N 0 3 285.391 2.693 40 0 CFABHN C[C@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1CO ZINC000253380213 383453666 /nfs/dbraw/zinc/45/36/66/383453666.db2.gz GDPKXXOYAFTTGT-STQMWFEESA-N 0 3 273.298 2.679 40 0 CFABHN CN(Cc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257200584 383493565 /nfs/dbraw/zinc/49/35/65/383493565.db2.gz ADXNZWQAFNHYNW-MRXNPFEDSA-N 0 3 282.391 2.577 40 0 CFABHN N[C@H](CC1CCCCC1)C(=O)N[C@@H]1C[C@H]1c1ccccc1 ZINC000261746742 383551964 /nfs/dbraw/zinc/55/19/64/383551964.db2.gz SSNWCEZBVVDBRS-GVDBMIGSSA-N 0 3 286.419 2.956 40 0 CFABHN CCCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216181 393644993 /nfs/dbraw/zinc/64/49/93/393644993.db2.gz JWYMRMPQLBZNJU-INIZCTEOSA-N 0 3 289.423 2.855 40 0 CFABHN Fc1ccc(CN2CCC[C@H](c3cnccn3)C2)cc1 ZINC000072363724 393650397 /nfs/dbraw/zinc/65/03/97/393650397.db2.gz AHXVBWUIIAMNCK-AWEZNQCLSA-N 0 3 271.339 2.995 40 0 CFABHN CC1CCN([C@@H](CN)c2cncc(Br)c2)CC1 ZINC000096511150 393835714 /nfs/dbraw/zinc/83/57/14/393835714.db2.gz CPJSKASEMCDTCG-ZDUSSCGKSA-N 0 3 298.228 2.576 40 0 CFABHN N[C@H](c1ccccc1)c1ccnc(Br)c1 ZINC000098181680 393842746 /nfs/dbraw/zinc/84/27/46/393842746.db2.gz UCNTZLPVZOLGNW-GFCCVEGCSA-N 0 3 263.138 2.892 40 0 CFABHN CN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585100221 395099912 /nfs/dbraw/zinc/09/99/12/395099912.db2.gz IBBJLTQOXFDWFS-KRWDZBQOSA-N 0 3 290.382 2.803 40 0 CFABHN COc1ccc(Cl)cc1-c1noc([C@H]2CCCN2)n1 ZINC000072209119 397590518 /nfs/dbraw/zinc/59/05/18/397590518.db2.gz XBAPPTOUJYCSBH-SNVBAGLBSA-N 0 3 279.727 2.823 40 0 CFABHN C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1ccccc1 ZINC000072208916 397590558 /nfs/dbraw/zinc/59/05/58/397590558.db2.gz SQWVCBMYWHDLCU-CMPLNLGQSA-N 0 3 250.342 2.600 40 0 CFABHN C[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1ccccc1 ZINC000072208914 397590577 /nfs/dbraw/zinc/59/05/77/397590577.db2.gz SQWVCBMYWHDLCU-JQWIXIFHSA-N 0 3 250.342 2.600 40 0 CFABHN COc1ccc(Cl)cc1-c1noc([C@@H]2CCCN2)n1 ZINC000072209118 397590656 /nfs/dbraw/zinc/59/06/56/397590656.db2.gz XBAPPTOUJYCSBH-JTQLQIEISA-N 0 3 279.727 2.823 40 0 CFABHN CC1CCN(C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000006308215 170189703 /nfs/dbraw/zinc/18/97/03/170189703.db2.gz AMIYIGFMENZNOQ-CYBMUJFWSA-N 0 3 283.799 2.812 40 0 CFABHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000008406962 170335254 /nfs/dbraw/zinc/33/52/54/170335254.db2.gz RNEQQIJSHKHNLC-KRWDZBQOSA-N 0 3 298.361 2.830 40 0 CFABHN CN[C@H](CO)c1ccc(OCc2ccccc2)cc1 ZINC000038121268 174128333 /nfs/dbraw/zinc/12/83/33/174128333.db2.gz VROGAWZEUHSRCU-MRXNPFEDSA-N 0 3 257.333 2.518 40 0 CFABHN Clc1nccc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000038579679 174147528 /nfs/dbraw/zinc/14/75/28/174147528.db2.gz PCPRHTBVUIMFTD-CYBMUJFWSA-N 0 3 288.782 2.816 40 0 CFABHN Brc1ccc(OCCN2CCCCC2)nc1 ZINC000042389947 174706353 /nfs/dbraw/zinc/70/63/53/174706353.db2.gz OAUWSGPSNVEATK-UHFFFAOYSA-N 0 3 285.185 2.709 40 0 CFABHN CN(C)CCOc1ccc(NC(=O)C(C)(C)C)cc1 ZINC000046722086 175398449 /nfs/dbraw/zinc/39/84/49/175398449.db2.gz NTGUGINPVIMAHK-UHFFFAOYSA-N 0 3 264.369 2.612 40 0 CFABHN CN1CCC(O)(c2ccc(Cl)c(Cl)c2)CC1 ZINC000053146763 175543218 /nfs/dbraw/zinc/54/32/18/175543218.db2.gz MHFYJIRKWCTGPC-UHFFFAOYSA-N 0 3 260.164 2.907 40 0 CFABHN COCCN1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355796 176375177 /nfs/dbraw/zinc/37/51/77/176375177.db2.gz KVPMACSBIQTAFT-MRXNPFEDSA-N 0 3 283.375 2.927 40 0 CFABHN COc1cccc(-c2cnc([C@@H]3CCCN(C)C3)cn2)c1 ZINC000072360687 176377172 /nfs/dbraw/zinc/37/71/72/176377172.db2.gz VTXOTHKUBAMTHS-CQSZACIVSA-N 0 3 283.375 2.961 40 0 CFABHN CC(C)[NH+]1CCC(c2nccnc2[N-]c2ncccn2)CC1 ZINC000072363468 176378538 /nfs/dbraw/zinc/37/85/38/176378538.db2.gz RLAZYLFLGKVWPV-UHFFFAOYSA-N 0 3 298.394 2.598 40 0 CFABHN Cc1cc(NCc2ccccn2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072364717 176379480 /nfs/dbraw/zinc/37/94/80/176379480.db2.gz DDEZYYRSGIVHJX-CQSZACIVSA-N 0 3 297.406 2.601 40 0 CFABHN CN1CCC[C@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365262 176380611 /nfs/dbraw/zinc/38/06/11/176380611.db2.gz GTQXTCIHWSGOOJ-OAHLLOKOSA-N 0 3 297.402 2.520 40 0 CFABHN Cc1cnc(Nc2nccnc2[C@@H]2CCCN(C)C2)s1 ZINC000072365545 176380813 /nfs/dbraw/zinc/38/08/13/176380813.db2.gz XPNKSKMQIZYVPZ-LLVKDONJSA-N 0 3 289.408 2.794 40 0 CFABHN Cc1cc(C)nc(NCCCNCc2ccsc2)n1 ZINC000062717895 262302107 /nfs/dbraw/zinc/30/21/07/262302107.db2.gz VQRMOJFYRSUOKF-UHFFFAOYSA-N 0 3 276.409 2.747 40 0 CFABHN Clc1ccc2c(N3CCNCC3)ccnc2c1Cl ZINC000068136458 274882124 /nfs/dbraw/zinc/88/21/24/274882124.db2.gz JQPKNYGDRHOJRZ-UHFFFAOYSA-N 0 3 282.174 2.951 40 0 CFABHN CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(F)cc2)C1 ZINC000083552563 275520326 /nfs/dbraw/zinc/52/03/26/275520326.db2.gz AOGFCANIWBCDTA-CQSZACIVSA-N 0 3 294.370 2.925 40 0 CFABHN N[C@@H](c1n[nH]c(-c2ccc(F)cc2)n1)c1ccccc1 ZINC000095533375 185006472 /nfs/dbraw/zinc/00/64/72/185006472.db2.gz CBXATTFVSUQOHV-CYBMUJFWSA-N 0 3 268.295 2.659 40 0 CFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1 ZINC000095533641 185006681 /nfs/dbraw/zinc/00/66/81/185006681.db2.gz RZBAHBOEMJGCNS-CQSZACIVSA-N 0 3 298.321 2.668 40 0 CFABHN CCN1CCC2(CCN(Cc3ccc(C)s3)CC2)C1=O ZINC000096046740 185071757 /nfs/dbraw/zinc/07/17/57/185071757.db2.gz YPSJXWOXWSSZHR-UHFFFAOYSA-N 0 3 292.448 2.891 40 0 CFABHN COC[C@]12CCCO[C@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096056718 185077459 /nfs/dbraw/zinc/07/74/59/185077459.db2.gz SNXMDLDSVAGHFS-DLBZAZTESA-N 0 3 293.382 2.843 40 0 CFABHN CCO[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCCO[C@@H]21 ZINC000096057434 185077376 /nfs/dbraw/zinc/07/73/76/185077376.db2.gz XAISABIVFDIVKI-ILXRZTDVSA-N 0 3 281.421 2.825 40 0 CFABHN O=C1C[C@H](NCc2ccccc2)CN1Cc1ccccc1 ZINC000034419131 346316958 /nfs/dbraw/zinc/31/69/58/346316958.db2.gz KGFPCNVJJUDZEQ-KRWDZBQOSA-N 0 3 280.371 2.577 40 0 CFABHN c1ccc(CNCCCc2nc3ccccc3[nH]2)nc1 ZINC000062718669 346690320 /nfs/dbraw/zinc/69/03/20/346690320.db2.gz DSTYNUQAHDQMOV-UHFFFAOYSA-N 0 3 266.348 2.680 40 0 CFABHN Clc1ccc(CN2CCC3(COC3)CC2)cc1 ZINC000096051230 282507929 /nfs/dbraw/zinc/50/79/29/282507929.db2.gz CJSKVFPKLIISDI-UHFFFAOYSA-N 0 3 251.757 2.952 40 0 CFABHN C[C@H]1CCCN([C@H](CN)c2ccc(F)cc2F)C1 ZINC000108349995 347740431 /nfs/dbraw/zinc/74/04/31/347740431.db2.gz ZERAQKLSEVJDKP-IINYFYTJSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1nc(N)cc(NCc2ccc(Br)cc2)n1 ZINC000127349329 347841086 /nfs/dbraw/zinc/84/10/86/347841086.db2.gz XQOPRODKIIEEAT-UHFFFAOYSA-N 0 3 293.168 2.742 40 0 CFABHN C[C@@H](C(=N)NO)N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000409440391 348602003 /nfs/dbraw/zinc/60/20/03/348602003.db2.gz KSSUYPKZWAZTLQ-VIFPVBQESA-N 0 3 271.361 2.511 40 0 CFABHN CO[C@H]1CN(Cc2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 ZINC000585279428 348738948 /nfs/dbraw/zinc/73/89/48/348738948.db2.gz MDDDGYJCJUQLJH-AEFFLSMTSA-N 0 3 299.418 2.798 40 0 CFABHN CCOC[C@H]1CCN(C)C2(CN(Cc3cccs3)C2)C1 ZINC000585103308 348734343 /nfs/dbraw/zinc/73/43/43/348734343.db2.gz UKMPVSFHSNBBMM-AWEZNQCLSA-N 0 3 294.464 2.681 40 0 CFABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000108535631 186221858 /nfs/dbraw/zinc/22/18/58/186221858.db2.gz CRHJRCCHXPVQGF-YOEHRIQHSA-N 0 3 290.382 2.564 40 0 CFABHN C/C=C/[C@](O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 ZINC000001640730 371690559 /nfs/dbraw/zinc/69/05/59/371690559.db2.gz MGXDQTQGWGFXKM-PLKPZQPFSA-N 0 3 295.423 2.511 40 0 CFABHN COCCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001667128 371694007 /nfs/dbraw/zinc/69/40/07/371694007.db2.gz ACUVMRHAWWNSHA-IRXDYDNUSA-N 0 3 271.360 2.697 40 0 CFABHN CCN(CC)CCOc1cc2c(cc1OC)CCC2=O ZINC000001668213 371694126 /nfs/dbraw/zinc/69/41/26/371694126.db2.gz HJSOKCXFCZOGFQ-UHFFFAOYSA-N 0 3 277.364 2.545 40 0 CFABHN O=Cc1ccc(OC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[O-] ZINC000013425087 372025962 /nfs/dbraw/zinc/02/59/62/372025962.db2.gz ZHLARUGYDIKKSN-ZBFHGGJFSA-N 0 3 289.375 2.848 40 0 CFABHN O=Cc1ccc(OC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1[O-] ZINC000013425087 372025968 /nfs/dbraw/zinc/02/59/68/372025968.db2.gz ZHLARUGYDIKKSN-ZBFHGGJFSA-N 0 3 289.375 2.848 40 0 CFABHN OCCN(CCc1ccccc1)Cc1cccs1 ZINC000013997385 372056549 /nfs/dbraw/zinc/05/65/49/372056549.db2.gz IHLIFAOCXSALEK-UHFFFAOYSA-N 0 3 261.390 2.785 40 0 CFABHN CC1(C)Cc2nc(-c3cccnc3)ncc2[C@@H](N)C1 ZINC000019461419 372166114 /nfs/dbraw/zinc/16/61/14/372166114.db2.gz IGFKEKOGXPSIGS-LBPRGKRZSA-N 0 3 254.337 2.511 40 0 CFABHN CCn1nc(C)c(CN2CCC[C@H](c3cnccn3)C2)c1C ZINC000019523831 372174625 /nfs/dbraw/zinc/17/46/25/372174625.db2.gz JPTODEVEJYTLKZ-HNNXBMFYSA-N 0 3 299.422 2.689 40 0 CFABHN Cc1nc2ccc(NC(=O)[C@@H](C)Cn3ccnc3C)cc2[nH]1 ZINC000019576735 372176144 /nfs/dbraw/zinc/17/61/44/372176144.db2.gz JGLLDYJNBHWLQV-JTQLQIEISA-N 0 3 297.362 2.651 40 0 CFABHN CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(Cl)cc1 ZINC000019796180 372190835 /nfs/dbraw/zinc/19/08/35/372190835.db2.gz DLXYTYBSFHTRKZ-LLVKDONJSA-N 0 3 270.760 2.865 40 0 CFABHN OCCNc1ccnc2ccc(C(F)(F)F)cc21 ZINC000036533615 372581028 /nfs/dbraw/zinc/58/10/28/372581028.db2.gz LHOBLSYHNTWLJU-UHFFFAOYSA-N 0 3 256.227 2.658 40 0 CFABHN NC[C@@H](c1ccc(Br)cc1)N1CCCCC1 ZINC000038860364 372775332 /nfs/dbraw/zinc/77/53/32/372775332.db2.gz NSRCIPSOSWUQSE-ZDUSSCGKSA-N 0 3 283.213 2.935 40 0 CFABHN Brc1ccc([C@@H]2CN(C3CC3)CCN2)cc1 ZINC000056894793 373574237 /nfs/dbraw/zinc/57/42/37/373574237.db2.gz ANPKZVQZVZJDNP-ZDUSSCGKSA-N 0 3 281.197 2.558 40 0 CFABHN CCOc1cc(CNCCOC)ccc1O[C@@H](C)CC ZINC000062731215 373765845 /nfs/dbraw/zinc/76/58/45/373765845.db2.gz RTMLIZHZWZLYNY-ZDUSSCGKSA-N 0 3 281.396 2.999 40 0 CFABHN CC(C)CNC1(Cc2cc(-c3ccccc3)on2)COC1 ZINC000067898020 374013540 /nfs/dbraw/zinc/01/35/40/374013540.db2.gz QIXQCYQBFXCXMF-UHFFFAOYSA-N 0 3 286.375 2.899 40 0 biogenic,in-vitro CFABHN CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C)n1 ZINC000072376606 374245967 /nfs/dbraw/zinc/24/59/67/374245967.db2.gz GJRNZGXYNFUHFR-HNNXBMFYSA-N 0 3 282.391 2.976 40 0 CFABHN CN1CCC(c2cc(C(F)(F)F)nc3nccn32)CC1 ZINC000072367701 374246246 /nfs/dbraw/zinc/24/62/46/374246246.db2.gz SZIDMVKIEHKXIM-UHFFFAOYSA-N 0 3 284.285 2.557 40 0 CFABHN CN(C)c1cc([C@@H]2CCCN(c3ccncc3)C2)ccn1 ZINC000072380925 374249465 /nfs/dbraw/zinc/24/94/65/374249465.db2.gz VHEYDSIKZTZEMH-OAHLLOKOSA-N 0 3 282.391 2.927 40 0 CFABHN CCOc1ccc2ncn(CN3CCCCC3)c2c1 ZINC000073634254 374360459 /nfs/dbraw/zinc/36/04/59/374360459.db2.gz SAFDTQCOBVQMKB-UHFFFAOYSA-N 0 3 259.353 2.878 40 0 CFABHN COc1ccc(Cl)cc1NC(=O)C1CCN(C)CC1 ZINC000074713359 374435035 /nfs/dbraw/zinc/43/50/35/374435035.db2.gz BDDRQIAHNNAISO-UHFFFAOYSA-N 0 3 282.771 2.629 40 0 CFABHN CCN(Cc1cc(Cl)ccc1Cl)C(=O)[C@H](C)N ZINC000079420274 374609871 /nfs/dbraw/zinc/60/98/71/374609871.db2.gz PJQLQYQHGWFXAF-QMMMGPOBSA-N 0 3 275.179 2.689 40 0 CFABHN COc1c(C)cc(-c2noc([C@@H]3CCCN3)n2)cc1C ZINC000095095413 375414462 /nfs/dbraw/zinc/41/44/62/375414462.db2.gz DYNIWNFNWPVEJO-LBPRGKRZSA-N 0 3 273.336 2.787 40 0 CFABHN CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096186633 375475328 /nfs/dbraw/zinc/47/53/28/375475328.db2.gz BFVLFXYFTIMFHL-SNPRPXQTSA-N 0 3 281.421 2.907 40 0 CFABHN CN(C)Cc1cncc2c1CCN(Cc1ccsc1)C2 ZINC000096189446 375476067 /nfs/dbraw/zinc/47/60/67/375476067.db2.gz DSIBYDFSBVGYEB-UHFFFAOYSA-N 0 3 287.432 2.763 40 0 CFABHN Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(C)C1 ZINC000096244670 375482482 /nfs/dbraw/zinc/48/24/82/375482482.db2.gz LFCZHMIIXTXOHR-GOSISDBHSA-N 0 3 295.386 2.556 40 0 CFABHN CC(C)n1nc(C2CC2)cc1CNC[C@H]1CCCO1 ZINC000256054343 190005373 /nfs/dbraw/zinc/00/53/73/190005373.db2.gz VYBNOXUKJZHJRI-CQSZACIVSA-N 0 3 263.385 2.610 40 0 CFABHN Cn1cc(CNCCc2ccccc2)c(C(F)(F)F)n1 ZINC000256050548 190002860 /nfs/dbraw/zinc/00/28/60/190002860.db2.gz FLARVBGQTFLRDG-UHFFFAOYSA-N 0 3 283.297 2.771 40 0 CFABHN Cc1cc(CC[C@H]2CCCN2Cc2c[nH]cn2)ccn1 ZINC000257211915 190012469 /nfs/dbraw/zinc/01/24/69/190012469.db2.gz CBAZOJOLUUFDCK-MRXNPFEDSA-N 0 3 270.380 2.710 40 0 CFABHN Cc1cc(CC[C@H]2CCCN2Cc2cnc[nH]2)ccn1 ZINC000257211915 190012470 /nfs/dbraw/zinc/01/24/70/190012470.db2.gz CBAZOJOLUUFDCK-MRXNPFEDSA-N 0 3 270.380 2.710 40 0 CFABHN COc1ccc([C@@H]2CNCCN2CCC(F)(F)F)cc1 ZINC000257208384 190012582 /nfs/dbraw/zinc/01/25/82/190012582.db2.gz BLYSEEHHULDAFX-ZDUSSCGKSA-N 0 3 288.313 2.594 40 0 CFABHN Cc1cc(C)nc([C@@H]2CCN(CCOc3ccccc3)C2)n1 ZINC000257231436 190016130 /nfs/dbraw/zinc/01/61/30/190016130.db2.gz GGQSPZRKXDLPGQ-MRXNPFEDSA-N 0 3 297.402 2.962 40 0 CFABHN COc1ccccc1CN1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257232415 190017090 /nfs/dbraw/zinc/01/70/90/190017090.db2.gz GKTRQMKACMVLAW-CQSZACIVSA-N 0 3 271.364 2.716 40 0 CFABHN c1ccc(CN2C[C@@H]3[C@@H](Cc4cnccn4)CC[C@@H]3C2)nc1 ZINC000257233511 190017157 /nfs/dbraw/zinc/01/71/57/190017157.db2.gz GPPBVFMCEXVLFC-IIDMSEBBSA-N 0 3 294.402 2.572 40 0 CFABHN CC(C)n1nccc1-c1cncc([C@H]2CCCN2C)n1 ZINC000257221850 190014962 /nfs/dbraw/zinc/01/49/62/190014962.db2.gz DQUHMIJXRLMZSN-CQSZACIVSA-N 0 3 271.368 2.688 40 0 CFABHN CCn1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257238786 190017468 /nfs/dbraw/zinc/01/74/68/190017468.db2.gz HMNGQUMLNNJYFP-AWEZNQCLSA-N 0 3 287.411 2.623 40 0 CFABHN Cc1ncc2cc(C)nc([C@H]3CCCN(C(C)C)C3)n21 ZINC000257248505 190020208 /nfs/dbraw/zinc/02/02/08/190020208.db2.gz JDYFNCCPPVYCIQ-AWEZNQCLSA-N 0 3 272.396 2.934 40 0 CFABHN CO[C@H]1CN(Cc2cccc3[nH]ccc32)C[C@@]12CCCO2 ZINC000257265123 190023340 /nfs/dbraw/zinc/02/33/40/190023340.db2.gz LXKHXAUJMDPNPW-IRXDYDNUSA-N 0 3 286.375 2.548 40 0 CFABHN COc1ccc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)c(F)c1 ZINC000257293282 190028358 /nfs/dbraw/zinc/02/83/58/190028358.db2.gz QOWOLKIBNJYCPC-CYBMUJFWSA-N 0 3 289.354 2.855 40 0 CFABHN Cn1cccc1CN1CCC[C@H](Cc2cccnc2)C1 ZINC000257320703 190033207 /nfs/dbraw/zinc/03/32/07/190033207.db2.gz VYDOTLWVUBHNSW-MRXNPFEDSA-N 0 3 269.392 2.875 40 0 CFABHN Cc1csc(Nc2cc([C@H]3CCN(C)C3)nc(C)n2)n1 ZINC000257327000 190035225 /nfs/dbraw/zinc/03/52/25/190035225.db2.gz WZLCPOKGAFQFCV-NSHDSACASA-N 0 3 289.408 2.713 40 0 CFABHN CCCn1nccc1-c1cc([C@H]2CCCN2C)nc(C)n1 ZINC000257332296 190035645 /nfs/dbraw/zinc/03/56/45/190035645.db2.gz XWQSELRXPYMEME-OAHLLOKOSA-N 0 3 285.395 2.825 40 0 CFABHN CN(C)c1cc([C@H]2CCCN(Cc3ccncc3)C2)ccn1 ZINC000257336230 190036221 /nfs/dbraw/zinc/03/62/21/190036221.db2.gz YNPLMHUMYMLXTK-KRWDZBQOSA-N 0 3 296.418 2.922 40 0 CFABHN CSc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000173786782 379779107 /nfs/dbraw/zinc/77/91/07/379779107.db2.gz LWTDOMCPCDZIEI-UHFFFAOYSA-N 0 3 264.394 2.689 40 0 CFABHN O=C(c1ccccc1F)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000306129593 382452287 /nfs/dbraw/zinc/45/22/87/382452287.db2.gz IHTFJBWXSSUCHS-JKSUJKDBSA-N 0 3 288.366 2.525 40 0 CFABHN c1csc(CN2CCC(c3nnc4ncccn43)CC2)c1 ZINC000306140493 382453208 /nfs/dbraw/zinc/45/32/08/382453208.db2.gz UUWZJBKWJBYASM-UHFFFAOYSA-N 0 3 299.403 2.565 40 0 CFABHN Cn1cc(Cc2ccc(C(F)(F)F)cc2)nc1N ZINC000199550984 382772023 /nfs/dbraw/zinc/77/20/23/382772023.db2.gz TYBGSDYIOVOHED-UHFFFAOYSA-N 0 3 255.243 2.612 40 0 CFABHN Cc1ccnc([C@@H]2CCN(Cc3ccsc3)C2)n1 ZINC000205693829 382773761 /nfs/dbraw/zinc/77/37/61/382773761.db2.gz WJNNLNMGHIRLCA-CYBMUJFWSA-N 0 3 259.378 2.836 40 0 CFABHN O=C1[C@@H]2CN(Cc3cccs3)C[C@H]2CN1c1ccccc1 ZINC000247752358 383195294 /nfs/dbraw/zinc/19/52/94/383195294.db2.gz UDGWCHVTEADHMY-XJKSGUPXSA-N 0 3 298.411 2.843 40 0 CFABHN c1cncc(CO[C@@H]2CSC3(CN(C4CCC4)C3)C2)c1 ZINC000247954836 383202001 /nfs/dbraw/zinc/20/20/01/383202001.db2.gz NPUAEWWBTTXPQA-HNNXBMFYSA-N 0 3 290.432 2.711 40 0 CFABHN c1cncc(CO[C@H]2CSC3(CN(C4CCC4)C3)C2)c1 ZINC000247954838 383202286 /nfs/dbraw/zinc/20/22/86/383202286.db2.gz NPUAEWWBTTXPQA-OAHLLOKOSA-N 0 3 290.432 2.711 40 0 CFABHN CCOC[C@@H]1CC[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096186044 256815866 /nfs/dbraw/zinc/81/58/66/256815866.db2.gz BFVLFXYFTIMFHL-QEJZJMRPSA-N 0 3 281.421 2.907 40 0 CFABHN COCc1ccc(CN2CC[C@]3(O)CCCC[C@H]3C2)o1 ZINC000245227799 131084521 /nfs/dbraw/zinc/08/45/21/131084521.db2.gz VNYDKHHKVGBFDB-XJKSGUPXSA-N 0 3 279.380 2.553 40 0 CFABHN CCOc1ccccc1[C@H](CN)N1CCC[C@@H](C)C1 ZINC000022211914 393487963 /nfs/dbraw/zinc/48/79/63/393487963.db2.gz BIRDXGURJZQORM-HIFRSBDPSA-N 0 3 262.397 2.817 40 0 CFABHN CCOc1ccccc1[C@@H](CN)N1CCC(C)CC1 ZINC000038827593 393538794 /nfs/dbraw/zinc/53/87/94/393538794.db2.gz MUEVFWSYYQFHSU-OAHLLOKOSA-N 0 3 262.397 2.817 40 0 CFABHN CN[C@@H](c1ccccc1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000072207619 393642359 /nfs/dbraw/zinc/64/23/59/393642359.db2.gz HRJGSVRQCMDHNZ-DGCLKSJQSA-N 0 3 264.369 2.860 40 0 CFABHN Cc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3)n2)cc1 ZINC000095534177 393812970 /nfs/dbraw/zinc/81/29/70/393812970.db2.gz SNLJETCRJJYOJL-CQSZACIVSA-N 0 3 264.332 2.828 40 0 CFABHN CC[C@@H]1N(Cc2cc(C)c(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096038498 393814515 /nfs/dbraw/zinc/81/45/15/393814515.db2.gz XQVWPCRXPTWVKJ-RDJZCZTQSA-N 0 3 290.407 2.920 40 0 CFABHN COc1ccc2c(c1)CN(C(C)C)CC[C@H]1COC(=O)N21 ZINC000225490850 286398933 /nfs/dbraw/zinc/39/89/33/286398933.db2.gz QCLDLIOIQRZYOM-ZDUSSCGKSA-N 0 3 290.363 2.635 40 0 biogenic,in-vitro CFABHN COC(=O)CC1CCN(Cc2ccc(C)cc2)CC1 ZINC000015423819 170665673 /nfs/dbraw/zinc/66/56/73/170665673.db2.gz UVSUZLNRSQQFNL-UHFFFAOYSA-N 0 3 261.365 2.770 40 0 CFABHN CN1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000072361556 176377443 /nfs/dbraw/zinc/37/74/43/176377443.db2.gz BYKBGGAKUXNIEZ-NSHDSACASA-N 0 3 289.408 2.561 40 0 CFABHN Nc1ncc(-c2ccccc2F)c([C@@H]2CCCCN2)n1 ZINC000072376715 176384926 /nfs/dbraw/zinc/38/49/26/176384926.db2.gz LATXTCYCTARWDT-ZDUSSCGKSA-N 0 3 272.327 2.680 40 0 CFABHN Fc1ccc(CN2CCC(c3cnccn3)CC2)cc1 ZINC000072384971 176388552 /nfs/dbraw/zinc/38/85/52/176388552.db2.gz BOKUNAPDFBOXIL-UHFFFAOYSA-N 0 3 271.339 2.995 40 0 CFABHN CC(C)CN1CCC[C@@H]1c1nccnc1Nc1cnccn1 ZINC000072384601 176388642 /nfs/dbraw/zinc/38/86/42/176388642.db2.gz IZOCJYNFFHTEHL-CYBMUJFWSA-N 0 3 298.394 2.803 40 0 CFABHN c1csc(C[C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072385049 176389556 /nfs/dbraw/zinc/38/95/56/176389556.db2.gz VPMKXDBGTNYNMV-ZDUSSCGKSA-N 0 3 273.405 2.993 40 0 CFABHN CN1CCC[C@H]1c1ccnc(Nc2ccccn2)c1 ZINC000072386488 176391807 /nfs/dbraw/zinc/39/18/07/176391807.db2.gz GEWFHJHWPBCSHZ-ZDUSSCGKSA-N 0 3 254.337 2.987 40 0 CFABHN c1nc(CN2CCC3(C[C@H](c4ccccc4)CO3)CC2)c[nH]1 ZINC000096089761 275076946 /nfs/dbraw/zinc/07/69/46/275076946.db2.gz NVITVIHPGSVTCW-INIZCTEOSA-N 0 3 297.402 2.948 40 0 CFABHN c1ncc(CN2CCC3(C[C@H](c4ccccc4)CO3)CC2)[nH]1 ZINC000096089761 275076948 /nfs/dbraw/zinc/07/69/48/275076948.db2.gz NVITVIHPGSVTCW-INIZCTEOSA-N 0 3 297.402 2.948 40 0 CFABHN C[C@@H]1CN([C@H](CN)c2c(F)cccc2Cl)C[C@@H](C)O1 ZINC000022222624 297073852 /nfs/dbraw/zinc/07/38/52/297073852.db2.gz WWWMEEMLFPNBKO-GIPNMCIBSA-N 0 3 286.778 2.588 40 0 CFABHN COc1ccccc1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000072358364 295344790 /nfs/dbraw/zinc/34/47/90/295344790.db2.gz HWOMGZYOEPKVLI-ZDUSSCGKSA-N 0 3 283.375 2.961 40 0 CFABHN COc1cccc([C@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)c1 ZINC000095533601 185007255 /nfs/dbraw/zinc/00/72/55/185007255.db2.gz JJCRHNJTMWCRJG-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN Cc1ccc(CN2CCC3(CCCC(=O)N3)CC2)s1 ZINC000096047388 185073252 /nfs/dbraw/zinc/07/32/52/185073252.db2.gz HJZNSWBPACNKSJ-UHFFFAOYSA-N 0 3 278.421 2.691 40 0 CFABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccco1)C2 ZINC000096056789 185078114 /nfs/dbraw/zinc/07/81/14/185078114.db2.gz XKBHRIAJUFNVCY-HOTGVXAUSA-N 0 3 279.380 2.687 40 0 CFABHN CCn1cc2c(n1)[C@@H](COCC1CC1)CN(CC1CC1)C2 ZINC000096059951 185080224 /nfs/dbraw/zinc/08/02/24/185080224.db2.gz ZMUSRLVFLBAWNH-MRXNPFEDSA-N 0 3 289.423 2.639 40 0 CFABHN CC(C)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096071150 185087098 /nfs/dbraw/zinc/08/70/98/185087098.db2.gz CYMDJQLFUJKENI-UHFFFAOYSA-N 0 3 290.407 2.750 40 0 CFABHN CCO[C@@H]1CO[C@]2(C1)CCCN(Cc1cccs1)C2 ZINC000096107444 185100165 /nfs/dbraw/zinc/10/01/65/185100165.db2.gz QATINGISQUSVMP-ZFWWWQNUSA-N 0 3 281.421 2.908 40 0 CFABHN CN(C)Cc1ccnc([C@H]2CCCN2C2CCCC2)n1 ZINC000257258750 282150431 /nfs/dbraw/zinc/15/04/31/282150431.db2.gz KVISGWGBKPZYNN-OAHLLOKOSA-N 0 3 274.412 2.618 40 0 CFABHN O=C(Cc1ccc(Cl)cc1)NCCN1CCCCCC1 ZINC000010368940 346227297 /nfs/dbraw/zinc/22/72/97/346227297.db2.gz KMXVJGZCJHZBGA-UHFFFAOYSA-N 0 3 294.826 2.875 40 0 CFABHN Cc1sc2[nH]c([C@H](C)NC(C)C)nc(=O)c2c1C ZINC000007738685 282485736 /nfs/dbraw/zinc/48/57/36/282485736.db2.gz FRZQCPITXSVWSW-QMMMGPOBSA-N 0 3 265.382 2.660 40 0 CFABHN CCOC(=O)[C@H]1CCN[C@H]1c1ccccc1Cl ZINC000257197756 348305938 /nfs/dbraw/zinc/30/59/38/348305938.db2.gz INRVMGBUEDMVTR-JQWIXIFHSA-N 0 3 253.729 2.554 40 0 CFABHN CCOC(=O)[C@@H]1CCN[C@H]1c1ccccc1Cl ZINC000257197757 348306003 /nfs/dbraw/zinc/30/60/03/348306003.db2.gz INRVMGBUEDMVTR-PWSUYJOCSA-N 0 3 253.729 2.554 40 0 CFABHN CC(C)(C)OC(=O)N([C@H](C(=N)NO)C1CCCC1)C1CC1 ZINC000409439808 348602582 /nfs/dbraw/zinc/60/25/82/348602582.db2.gz IPTHRWSUHXKIEH-LBPRGKRZSA-N 0 3 297.399 2.901 40 0 CFABHN Cc1ccc(C)c2[nH]c(=O)c(CN[C@H](CO)C(C)C)cc12 ZINC000585292838 348738907 /nfs/dbraw/zinc/73/89/07/348738907.db2.gz OXZMPFPHZAOFNU-OAHLLOKOSA-N 0 3 288.391 2.664 40 0 CFABHN Cc1cccc(CO[C@H]2CSC3(CN(C(C)C)C3)C2)n1 ZINC000585103853 348734450 /nfs/dbraw/zinc/73/44/50/348734450.db2.gz DJNHXSWLMKFGMY-OAHLLOKOSA-N 0 3 292.448 2.875 40 0 CFABHN COCC[C@H]1CCOC12CCN(Cc1ccco1)CC2 ZINC000585103750 348734696 /nfs/dbraw/zinc/73/46/96/348734696.db2.gz ZUVRQLVJDOGZOM-AWEZNQCLSA-N 0 3 279.380 2.687 40 0 CFABHN COCCCP(CCCOC)CCCOC ZINC000002570833 371738628 /nfs/dbraw/zinc/73/86/28/371738628.db2.gz APRCRSUXFGXHEL-UHFFFAOYSA-N 0 3 250.319 2.578 40 0 in-man CFABHN Cc1cc(C)nc(N2CCCN(Cc3ccccc3)CC2)n1 ZINC000013225802 372020498 /nfs/dbraw/zinc/02/04/98/372020498.db2.gz ZRYRPNLLRADXPE-UHFFFAOYSA-N 0 3 296.418 2.806 40 0 CFABHN CC(C)(C)c1noc([C@@H]2CCN(Cc3cccnc3)C2)n1 ZINC000019084660 372147045 /nfs/dbraw/zinc/14/70/45/372147045.db2.gz ZLFWAVBSZVBQDP-CYBMUJFWSA-N 0 3 286.379 2.752 40 0 CFABHN CC1(C)NC(=N)NC(=N)N1c1ccc(-c2ccccc2)cc1 ZINC000017039558 372126132 /nfs/dbraw/zinc/12/61/32/372126132.db2.gz SENQYKYYGUQWBP-UHFFFAOYSA-N 0 3 293.374 2.539 40 0 CFABHN CC(C)(C)OC(=O)CCNCc1ccc(F)cc1 ZINC000047218971 373084474 /nfs/dbraw/zinc/08/44/74/373084474.db2.gz WEOUHNANUODXQT-UHFFFAOYSA-N 0 3 253.317 2.647 40 0 CFABHN CCOC(=O)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC000057354206 373589963 /nfs/dbraw/zinc/58/99/63/373589963.db2.gz LILXUELARXKULD-OAHLLOKOSA-N 0 3 261.365 2.852 40 0 CFABHN Fc1ccccc1[C@@H]1CN(Cc2ccccc2)CCN1 ZINC000056894756 373574656 /nfs/dbraw/zinc/57/46/56/373574656.db2.gz HOPRDLBLTLJYIS-KRWDZBQOSA-N 0 3 270.351 2.972 40 0 CFABHN Cc1ccc(NC(=O)CC2CCN(C)CC2)c(C)c1 ZINC000074920986 374447028 /nfs/dbraw/zinc/44/70/28/374447028.db2.gz LZSFLHIXRCQIMJ-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN C[C@H](N)C(=O)N([C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000079421229 374610211 /nfs/dbraw/zinc/61/02/11/374610211.db2.gz RDUONKUAOXUNKB-UWVGGRQHSA-N 0 3 266.772 2.739 40 0 CFABHN c1cc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)co1 ZINC000096047145 375468393 /nfs/dbraw/zinc/46/83/93/375468393.db2.gz HDMAZXKOHUFCLQ-QGZVFWFLSA-N 0 3 298.390 2.562 40 0 CFABHN c1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cs1 ZINC000096184638 375474685 /nfs/dbraw/zinc/47/46/85/375474685.db2.gz OZNIWHVZJXVQAR-DLBZAZTESA-N 0 3 299.443 2.992 40 0 CFABHN CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000096186634 375475400 /nfs/dbraw/zinc/47/54/00/375475400.db2.gz QTZCVHWBZNTRQW-ILXRZTDVSA-N 0 3 281.421 2.907 40 0 CFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)cs1 ZINC000096208925 375478085 /nfs/dbraw/zinc/47/80/85/375478085.db2.gz NHWHLGJYSQVEEW-HZPDHXFCSA-N 0 3 293.432 2.623 40 0 CFABHN O=C1N(CC2CC2)CC12CCN(Cc1ccccc1)CC2 ZINC000096202853 375478134 /nfs/dbraw/zinc/47/81/34/375478134.db2.gz GBLUVIYCEQJGFI-UHFFFAOYSA-N 0 3 284.403 2.521 40 0 CFABHN CCCn1nc(C)cc1CNCCCOC(C)C ZINC000256051039 190003615 /nfs/dbraw/zinc/00/36/15/190003615.db2.gz HMEGJKLQHVNBIW-UHFFFAOYSA-N 0 3 253.390 2.506 40 0 CFABHN Cc1cccc(C[C@H]2CCCN(Cc3ccnc(C)n3)C2)n1 ZINC000257207054 190011204 /nfs/dbraw/zinc/01/12/04/190011204.db2.gz BGEHFJLLJRLRBX-MRXNPFEDSA-N 0 3 296.418 2.943 40 0 CFABHN Cn1cnc(CN2C[C@@H]3C[C@@H](Oc4ccccc4)C[C@@H]3C2)c1 ZINC000257218797 190013588 /nfs/dbraw/zinc/01/35/88/190013588.db2.gz DELDUNFFSXSTTM-HWWDLCQESA-N 0 3 297.402 2.710 40 0 CFABHN CO[C@H]1CN(Cc2ccc3ncccc3c2)C[C@@]12CCCO2 ZINC000257217613 190013805 /nfs/dbraw/zinc/01/38/05/190013805.db2.gz CZTHCBIODYQEEP-ROUUACIJSA-N 0 3 298.386 2.615 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCN(CCOc2ccccc2)C1 ZINC000257265433 190022976 /nfs/dbraw/zinc/02/29/76/190022976.db2.gz LYQFJNQCQHRKRS-AWEZNQCLSA-N 0 3 271.364 2.586 40 0 CFABHN CCCCc1nc(CN2CC[C@H](c3n[nH]cc3C)C2)c[nH]1 ZINC000257266190 190023445 /nfs/dbraw/zinc/02/34/45/190023445.db2.gz MBYAGTNQOJWXMH-ZDUSSCGKSA-N 0 3 287.411 2.773 40 0 CFABHN CCCCc1ncc(CN2CC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257266190 190023446 /nfs/dbraw/zinc/02/34/46/190023446.db2.gz MBYAGTNQOJWXMH-ZDUSSCGKSA-N 0 3 287.411 2.773 40 0 CFABHN Cc1cnc(Nc2cc([C@H]3CCN(C)C3)nc(C)n2)s1 ZINC000257270301 190023746 /nfs/dbraw/zinc/02/37/46/190023746.db2.gz MTPRTFMZJRGACY-NSHDSACASA-N 0 3 289.408 2.713 40 0 CFABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2ccnn2C(C)C)C1 ZINC000257252602 190021217 /nfs/dbraw/zinc/02/12/17/190021217.db2.gz JVJXCMCYLVBWEY-AWEZNQCLSA-N 0 3 287.411 2.875 40 0 CFABHN Cc1cnccc1CN1CCC[C@@H](c2ccncn2)C1 ZINC000257261771 190022481 /nfs/dbraw/zinc/02/24/81/190022481.db2.gz LISJXHZTSOKLIN-OAHLLOKOSA-N 0 3 268.364 2.560 40 0 CFABHN Cc1ccnc([C@H]2CCN(CCc3ccc(F)cc3)C2)n1 ZINC000257275052 190024670 /nfs/dbraw/zinc/02/46/70/190024670.db2.gz NNSRUPHODNSHMM-HNNXBMFYSA-N 0 3 285.366 2.956 40 0 CFABHN Cc1cn[nH]c1[C@H]1CCCCN1Cc1ccncc1 ZINC000257294405 190028830 /nfs/dbraw/zinc/02/88/30/190028830.db2.gz QTZJCIRZJRYNSZ-CQSZACIVSA-N 0 3 256.353 2.840 40 0 CFABHN Cc1c[nH]c([C@H]2CCCN(Cc3ccnn3C(C)C)C2)n1 ZINC000257315700 190032456 /nfs/dbraw/zinc/03/24/56/190032456.db2.gz VCLQDCNLQORPCV-AWEZNQCLSA-N 0 3 287.411 2.875 40 0 CFABHN Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCCN2C)n1 ZINC000257319883 190033148 /nfs/dbraw/zinc/03/31/48/190033148.db2.gz VULCYOLBBIOKFH-OAHLLOKOSA-N 0 3 285.395 2.996 40 0 CFABHN Cn1cc(Cc2cccc(C(F)(F)F)c2)nc1N ZINC000199550893 382771926 /nfs/dbraw/zinc/77/19/26/382771926.db2.gz FFDDWMXGULXGOW-UHFFFAOYSA-N 0 3 255.243 2.612 40 0 CFABHN CCn1cc(Cc2ccc(Br)cc2)nc1N ZINC000199550219 382772117 /nfs/dbraw/zinc/77/21/17/382772117.db2.gz MHFUCVRIGVJWFI-UHFFFAOYSA-N 0 3 280.169 2.839 40 0 CFABHN CCCc1ccc(CNC[C@@H]2CCCO2)n1CC ZINC000226020913 382824427 /nfs/dbraw/zinc/82/44/27/382824427.db2.gz IHEJXLJYCMOIEZ-HNNXBMFYSA-N 0 3 250.386 2.729 40 0 CFABHN Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)o1 ZINC000248130790 383213293 /nfs/dbraw/zinc/21/32/93/383213293.db2.gz YMRVJIYUICGOAF-PBHICJAKSA-N 0 3 296.370 2.683 40 0 CFABHN c1ccc(C[C@H]2CCCN(c3ccncc3)C2)nc1 ZINC000257243610 285479900 /nfs/dbraw/zinc/47/99/00/285479900.db2.gz IHUFVAVUTPTHSN-CQSZACIVSA-N 0 3 253.349 2.936 40 0 CFABHN CCCCCCN1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203234 393461145 /nfs/dbraw/zinc/46/11/45/393461145.db2.gz LIDIEESTMCMGMQ-CYBMUJFWSA-N 0 3 256.390 2.729 40 0 CFABHN CCSc1ncc(CNCCc2ccccc2)cn1 ZINC000062717288 393627437 /nfs/dbraw/zinc/62/74/37/393627437.db2.gz ONFLFXLFHNTJJV-UHFFFAOYSA-N 0 3 273.405 2.921 40 0 CFABHN CCCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216180 393645113 /nfs/dbraw/zinc/64/51/13/393645113.db2.gz JWYMRMPQLBZNJU-MRXNPFEDSA-N 0 3 289.423 2.855 40 0 CFABHN COc1cc2c(cc1OC)[C@H](c1ccc(O)c(C)c1)CNC2 ZINC000003847188 286260810 /nfs/dbraw/zinc/26/08/10/286260810.db2.gz OELWKTXQKFEKFJ-HNNXBMFYSA-N 0 3 299.370 2.953 40 0 CFABHN O=C(c1ccccc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000004745999 170010242 /nfs/dbraw/zinc/01/02/42/170010242.db2.gz VXXFRTLOMBXMOB-BPQIPLTHSA-N 0 3 296.414 2.657 40 0 CFABHN CN(C)CCn1nc(-c2ccccc2)c2ccccc2c1=O ZINC000005535387 170110152 /nfs/dbraw/zinc/11/01/52/170110152.db2.gz HHMQGHYYPKZRCN-UHFFFAOYSA-N 0 3 293.370 2.625 40 0 CFABHN C[C@@H](NC[C@H](O)COC(C)(C)C)c1ccccc1 ZINC000007636335 170294308 /nfs/dbraw/zinc/29/43/08/170294308.db2.gz SDDLOZBXFNVCLQ-OCCSQVGLSA-N 0 3 251.370 2.513 40 0 CFABHN COc1cc(C=O)ccc1OCCN1CCCCCC1 ZINC000009237638 170368067 /nfs/dbraw/zinc/36/80/67/170368067.db2.gz FZYBEYQDGAZZKK-UHFFFAOYSA-N 0 3 277.364 2.763 40 0 CFABHN CC1CCN([C@H](CN)c2ccc(F)cc2F)CC1 ZINC000022170615 171367744 /nfs/dbraw/zinc/36/77/44/171367744.db2.gz FTDXKKBDPWCKMV-CQSZACIVSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000045584942 175381810 /nfs/dbraw/zinc/38/18/10/175381810.db2.gz BNJJZWTWADJUGI-AWEZNQCLSA-N 0 3 292.423 2.564 40 0 CFABHN CC(C)[N@@H+]1CCC[C@@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000072354317 176375279 /nfs/dbraw/zinc/37/52/79/176375279.db2.gz CUCCEJQOJYACKK-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000072354317 176375280 /nfs/dbraw/zinc/37/52/80/176375280.db2.gz CUCCEJQOJYACKK-CYBMUJFWSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)N1CCC[C@H](c2nccnc2-c2cncnc2)C1 ZINC000072358410 176376340 /nfs/dbraw/zinc/37/63/40/176376340.db2.gz NDXSQFFCKDNLBC-ZDUSSCGKSA-N 0 3 283.379 2.521 40 0 CFABHN CN1CCC(c2ccnc(NC[C@@]3(C)CCCO3)c2)CC1 ZINC000072365476 176380729 /nfs/dbraw/zinc/38/07/29/176380729.db2.gz GXIPZLADIWYBEU-QGZVFWFLSA-N 0 3 289.423 2.872 40 0 CFABHN Nc1ncc(-c2ccccc2F)c([C@H]2CCCCN2)n1 ZINC000072376716 176384973 /nfs/dbraw/zinc/38/49/73/176384973.db2.gz LATXTCYCTARWDT-CYBMUJFWSA-N 0 3 272.327 2.680 40 0 CFABHN Cc1ccc(Nc2nccc([C@H]3CCCN(C)C3)n2)nc1 ZINC000072377375 176385766 /nfs/dbraw/zinc/38/57/66/176385766.db2.gz LJUGXJNLBITZRS-ZDUSSCGKSA-N 0 3 283.379 2.733 40 0 CFABHN Cc1cc(C(F)(F)F)nc(C2CCN(C)CC2)n1 ZINC000072382225 176388430 /nfs/dbraw/zinc/38/84/30/176388430.db2.gz BYLBEIABTIOZRG-UHFFFAOYSA-N 0 3 259.275 2.613 40 0 CFABHN c1cncc(C[C@@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072385025 176389301 /nfs/dbraw/zinc/38/93/01/176389301.db2.gz DXCRRMMNHZAMCW-KRWDZBQOSA-N 0 3 267.376 2.931 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc(C(F)(F)F)c1 ZINC000079420989 177487905 /nfs/dbraw/zinc/48/79/05/177487905.db2.gz XVSJZWJFCLCDQB-LBPRGKRZSA-N 0 3 288.313 2.647 40 0 CFABHN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCN(C)C)c1 ZINC000045584945 278796104 /nfs/dbraw/zinc/79/61/04/278796104.db2.gz BNJJZWTWADJUGI-CQSZACIVSA-N 0 3 292.423 2.564 40 0 CFABHN NNc1ncc(C(Cl)(Cl)Cl)cc1Cl ZINC000199542974 279660372 /nfs/dbraw/zinc/66/03/72/279660372.db2.gz MMYPXPKUGDIICW-UHFFFAOYSA-N 0 3 260.939 2.847 40 0 CFABHN Cc1cc(N)nc([C@]2(C)CCCN2C2CCCC2)n1 ZINC000072388357 301330625 /nfs/dbraw/zinc/33/06/25/301330625.db2.gz DTYKTJMZDBJTMT-HNNXBMFYSA-N 0 3 260.385 2.621 40 0 CFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(C)c3)n2)cc1 ZINC000095533744 185007336 /nfs/dbraw/zinc/00/73/36/185007336.db2.gz KKCVWAOMNFGHJB-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3C)n2)cc1 ZINC000095533717 185007428 /nfs/dbraw/zinc/00/74/28/185007428.db2.gz DVSIIOQRXVUXMO-HNNXBMFYSA-N 0 3 294.358 2.837 40 0 CFABHN CC(C)(C)c1nnc([C@H](N)c2ccc(Cl)cc2)[nH]1 ZINC000095534018 185007666 /nfs/dbraw/zinc/00/76/66/185007666.db2.gz WVLFTEAMDBAMEG-SNVBAGLBSA-N 0 3 264.760 2.804 40 0 CFABHN CC(C)(C)c1nc([C@H](N)c2ccc(Cl)cc2)n[nH]1 ZINC000095534018 185007667 /nfs/dbraw/zinc/00/76/67/185007667.db2.gz WVLFTEAMDBAMEG-SNVBAGLBSA-N 0 3 264.760 2.804 40 0 CFABHN c1coc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1 ZINC000096055834 185075376 /nfs/dbraw/zinc/07/53/76/185075376.db2.gz BWPMJWSUXHZEBA-DLBZAZTESA-N 0 3 283.375 2.523 40 0 CFABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096056788 185077497 /nfs/dbraw/zinc/07/74/97/185077497.db2.gz XKBHRIAJUFNVCY-HZPDHXFCSA-N 0 3 279.380 2.687 40 0 CFABHN Fc1ccc2nc(CNCCN3CCCC3)ccc2c1 ZINC000096836640 185115847 /nfs/dbraw/zinc/11/58/47/185115847.db2.gz POZDJNYLPZBQSU-UHFFFAOYSA-N 0 3 273.355 2.559 40 0 CFABHN CC(C)[C@@H](N)c1nc2cc(C(F)(F)F)cnc2[nH]1 ZINC000096510449 347702082 /nfs/dbraw/zinc/70/20/82/347702082.db2.gz OKGCQZMVWGAKHE-MRVPVSSYSA-N 0 3 258.247 2.633 40 0 CFABHN CC(C)[C@@H]([NH3+])c1nc2cc(C(F)(F)F)cnc2[n-]1 ZINC000096510449 347702084 /nfs/dbraw/zinc/70/20/84/347702084.db2.gz OKGCQZMVWGAKHE-MRVPVSSYSA-N 0 3 258.247 2.633 40 0 CFABHN Cc1ccc2[nH]c(=O)c(CN[C@H]3CCCC[C@@H]3O)cc2c1 ZINC000585292682 348738760 /nfs/dbraw/zinc/73/87/60/348738760.db2.gz NGTPVBFZXWENIL-HOTGVXAUSA-N 0 3 286.375 2.642 40 0 CFABHN CC(C)N1CC2(C1)C[C@@H](Oc1ncccc1F)CS2 ZINC000585105358 348734433 /nfs/dbraw/zinc/73/44/33/348734433.db2.gz UZCXTJSCYVGWAI-LLVKDONJSA-N 0 3 282.384 2.568 40 0 CFABHN Cc1ccc(C(=O)N2CCC[C@]3(CCN3C)C2)c(C)c1 ZINC000585102376 348734693 /nfs/dbraw/zinc/73/46/93/348734693.db2.gz YPRZPJTVLCJTST-KRWDZBQOSA-N 0 3 272.392 2.614 40 0 CFABHN O[C@](Cc1ccccc1)(C1CCCCC1)[C@H]1CNCCO1 ZINC000242687268 541005822 /nfs/dbraw/zinc/00/58/22/541005822.db2.gz UCXZRTLZAKLHBM-QZTJIDSGSA-N 0 3 289.419 2.529 40 0 CFABHN OC[C@@H]1CCN1C(c1ccccc1)c1ccccc1 ZINC000001756999 371706856 /nfs/dbraw/zinc/70/68/56/371706856.db2.gz ZQFMLZHAZJYUOD-INIZCTEOSA-N 0 3 253.345 2.843 40 0 CFABHN CN(C)CCSCC(=O)Nc1ccccc1Cl ZINC000001587102 371685259 /nfs/dbraw/zinc/68/52/59/371685259.db2.gz NXBCTRCHXFWOQX-UHFFFAOYSA-N 0 3 272.801 2.573 40 0 CFABHN CCN(CC)CCOC(=O)c1c[nH]c2ccccc21 ZINC000001620729 371688928 /nfs/dbraw/zinc/68/89/28/371688928.db2.gz RUSMTRSNLRPIRK-UHFFFAOYSA-N 0 3 260.337 2.667 40 0 CFABHN C/C=C/[C@@](O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 ZINC000001640732 371690275 /nfs/dbraw/zinc/69/02/75/371690275.db2.gz MGXDQTQGWGFXKM-KONMPUBISA-N 0 3 295.423 2.511 40 0 CFABHN CC/C=C/[C@](O)(C(=O)OC1CCN(C)CC1)C1CCCC1 ZINC000001640747 371690434 /nfs/dbraw/zinc/69/04/34/371690434.db2.gz KZQMQKXFKZZRSP-DPTHPHEISA-N 0 3 295.423 2.511 40 0 CFABHN Cc1ccc(NC(=O)CNCC(C)C)cc1Cl ZINC000001671416 371695570 /nfs/dbraw/zinc/69/55/70/371695570.db2.gz FKEPQFAHUOEBJK-UHFFFAOYSA-N 0 3 254.761 2.833 40 0 CFABHN CN1CCN(c2c3ccccc3nc3c2CCCC3)CC1 ZINC000001699154 371698739 /nfs/dbraw/zinc/69/87/39/371698739.db2.gz BHDKLGMXJCGESI-UHFFFAOYSA-N 0 3 281.403 2.865 40 0 CFABHN N[C@H](c1ccncc1)c1ccc(Br)cc1 ZINC000011737342 371927015 /nfs/dbraw/zinc/92/70/15/371927015.db2.gz IBQJLEZOJQAQTL-LBPRGKRZSA-N 0 3 263.138 2.892 40 0 CFABHN COCc1ccc(CN2CC[C@]3(O)CCCC[C@@H]3C2)o1 ZINC000013568223 372034480 /nfs/dbraw/zinc/03/44/80/372034480.db2.gz VNYDKHHKVGBFDB-CZUORRHYSA-N 0 3 279.380 2.553 40 0 CFABHN CC(C)(C)c1noc([C@H]2CCN(Cc3cccnc3)C2)n1 ZINC000019084663 372147800 /nfs/dbraw/zinc/14/78/00/372147800.db2.gz ZLFWAVBSZVBQDP-ZDUSSCGKSA-N 0 3 286.379 2.752 40 0 CFABHN C[C@H]1CCCN(Cc2ccnc(-c3cccnc3)n2)C1 ZINC000019496573 372168212 /nfs/dbraw/zinc/16/82/12/372168212.db2.gz ZPWSVYDCLXMRRH-ZDUSSCGKSA-N 0 3 268.364 2.771 40 0 CFABHN Cc1nc2ccc(NC(=O)[C@H](C)Cn3ccnc3C)cc2[nH]1 ZINC000019576737 372176577 /nfs/dbraw/zinc/17/65/77/372176577.db2.gz JGLLDYJNBHWLQV-SNVBAGLBSA-N 0 3 297.362 2.651 40 0 CFABHN CN1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 ZINC000049169752 373273110 /nfs/dbraw/zinc/27/31/10/373273110.db2.gz OSTSSIVHAKPLAD-NSHDSACASA-N 0 3 282.347 2.561 40 0 biogenic,in-vitro CFABHN Fc1ccc([C@@H]2CN(Cc3ccccc3)CCN2)cc1 ZINC000056894873 373573470 /nfs/dbraw/zinc/57/34/70/373573470.db2.gz SMWIICFQVYKFRT-KRWDZBQOSA-N 0 3 270.351 2.972 40 0 CFABHN CC[C@H](C)Oc1ccc(CNCCOC)cc1OC ZINC000062731920 373765346 /nfs/dbraw/zinc/76/53/46/373765346.db2.gz JDQNHLZZXAJIEO-LBPRGKRZSA-N 0 3 267.369 2.609 40 0 CFABHN Cc1cccc(NC(=O)CC2CCN(C)CC2)c1C ZINC000074920991 374447299 /nfs/dbraw/zinc/44/72/99/374447299.db2.gz JJSVEYHZIXQAFK-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN C[C@H](c1cccc(Cl)c1)N(C(=O)[C@H](C)N)C1CC1 ZINC000079421235 374610367 /nfs/dbraw/zinc/61/03/67/374610367.db2.gz RDUONKUAOXUNKB-VHSXEESVSA-N 0 3 266.772 2.739 40 0 CFABHN CC(C)N(Cc1c(F)cccc1Cl)C(=O)[C@H](C)N ZINC000079420305 374610737 /nfs/dbraw/zinc/61/07/37/374610737.db2.gz YNXOAGMQEDUGGT-VIFPVBQESA-N 0 3 272.751 2.563 40 0 CFABHN CC(C)CN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccs1 ZINC000096184295 375475741 /nfs/dbraw/zinc/47/57/41/375475741.db2.gz CFOJRPVUWKYOCB-QWHCGFSZSA-N 0 3 278.421 2.693 40 0 CFABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)co1 ZINC000096209398 375476870 /nfs/dbraw/zinc/47/68/70/375476870.db2.gz VKLGIQJYXQZTQQ-IAGOWNOFSA-N 0 3 291.391 2.545 40 0 CFABHN CCO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1ccccc1 ZINC000096200394 375477685 /nfs/dbraw/zinc/47/76/85/375477685.db2.gz UIXJEDHFEHPISR-ROUUACIJSA-N 0 3 299.418 2.642 40 0 CFABHN CCO[C@@H]1CCN(Cc2ccc(C)s2)[C@H]2CCO[C@@H]21 ZINC000096218594 375479075 /nfs/dbraw/zinc/47/90/75/375479075.db2.gz JSLMFMWURCDCNS-ZNMIVQPWSA-N 0 3 281.421 2.825 40 0 CFABHN CCCn1nc(C)cc1CNCCc1ccccc1 ZINC000256054016 190005034 /nfs/dbraw/zinc/00/50/34/190005034.db2.gz UQDSCVMSLAHYGL-UHFFFAOYSA-N 0 3 257.381 2.934 40 0 CFABHN CC(C)Cn1ccc(CNCCc2ccccc2)n1 ZINC000256050284 190003225 /nfs/dbraw/zinc/00/32/25/190003225.db2.gz DMCUEXMEMXRWPR-UHFFFAOYSA-N 0 3 257.381 2.871 40 0 CFABHN Cc1cccnc1Nc1nccc(C2CCN(C)CC2)n1 ZINC000257214858 190013509 /nfs/dbraw/zinc/01/35/09/190013509.db2.gz CNSNVTBYVKJTQA-UHFFFAOYSA-N 0 3 283.379 2.733 40 0 CFABHN CCc1nc(C)c(CN2CCC[C@@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257216257 190013846 /nfs/dbraw/zinc/01/38/46/190013846.db2.gz CTSJOXXEHIYPNV-CYBMUJFWSA-N 0 3 287.411 2.692 40 0 CFABHN Cc1cc(C)nc([C@H]2CCN(CCOc3ccccc3)C2)n1 ZINC000257231435 190015844 /nfs/dbraw/zinc/01/58/44/190015844.db2.gz GGQSPZRKXDLPGQ-INIZCTEOSA-N 0 3 297.402 2.962 40 0 CFABHN Cc1nc(Nc2ccccn2)cc([C@@H]2CCCCN2)n1 ZINC000257223463 190014798 /nfs/dbraw/zinc/01/47/98/190014798.db2.gz DXLUMQSAZHIDRK-LBPRGKRZSA-N 0 3 269.352 2.738 40 0 CFABHN c1cc([C@H]2CCN(Cc3ccc4ccccc4n3)C2)n[nH]1 ZINC000257287946 190027139 /nfs/dbraw/zinc/02/71/39/190027139.db2.gz PSDSMKOVEHPFMW-AWEZNQCLSA-N 0 3 278.359 2.947 40 0 CFABHN Cc1c(CN2CCC[C@@H](Cc3cccc(C)n3)C2)cnn1C ZINC000257291787 190027865 /nfs/dbraw/zinc/02/78/65/190027865.db2.gz QIPRWENYUQMMJM-INIZCTEOSA-N 0 3 298.434 2.887 40 0 CFABHN Cc1c[nH]c([C@@H]2CCN(CCOc3ccc(F)cc3)C2)n1 ZINC000257344923 190037721 /nfs/dbraw/zinc/03/77/21/190037721.db2.gz ZZGKFXQFVUJXHT-CYBMUJFWSA-N 0 3 289.354 2.726 40 0 CFABHN COC[C@@H]1CCN(C)C2(CN(Cc3ccccc3C)C2)C1 ZINC000248159735 383215732 /nfs/dbraw/zinc/21/57/32/383215732.db2.gz XBMCRFJYKIMYOE-MRXNPFEDSA-N 0 3 288.435 2.538 40 0 CFABHN CCO[C@H]1COC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096220603 256826835 /nfs/dbraw/zinc/82/68/35/256826835.db2.gz XGRMODUKDWRDOL-MRXNPFEDSA-N 0 3 293.382 2.986 40 0 CFABHN CN1CC[C@H](NC2CC2)c2cc(Cl)ccc2C1 ZINC000096510460 393835119 /nfs/dbraw/zinc/83/51/19/393835119.db2.gz SXLMTTGGODEZDB-AWEZNQCLSA-N 0 3 250.773 2.969 40 0 CFABHN CN1CCC[C@H]2N(C(=O)OC(C)(C)C)CCC[C@@]21C ZINC000254286870 393942660 /nfs/dbraw/zinc/94/26/60/393942660.db2.gz MFURMCJSPLMXDW-DOMZBBRYSA-N 0 3 268.401 2.870 40 0 CFABHN CCOc1cc([C@H]2NCC[C@@]3(O)CCCC[C@@H]23)ccc1O ZINC000006464500 170203204 /nfs/dbraw/zinc/20/32/04/170203204.db2.gz FJRAFGQYLIQWHC-XKQJLSEDSA-N 0 3 291.391 2.747 40 0 CFABHN Cc1cc(C)cc(NC(=S)NC[C@@H]2CCCN(C)C2)c1 ZINC000009876154 170388209 /nfs/dbraw/zinc/38/82/09/170388209.db2.gz QJDPRYCOUYXJFJ-AWEZNQCLSA-N 0 3 291.464 2.932 40 0 CFABHN CC(C)[C@@H](N)c1nc2cc(Br)ccc2[nH]1 ZINC000037441200 173211174 /nfs/dbraw/zinc/21/11/74/173211174.db2.gz NGMMILUGFRSYMD-SNVBAGLBSA-N 0 3 268.158 2.981 40 0 CFABHN CC(C)[C@@H](N)c1nc2ccc(Br)cc2[nH]1 ZINC000037441200 173211175 /nfs/dbraw/zinc/21/11/75/173211175.db2.gz NGMMILUGFRSYMD-SNVBAGLBSA-N 0 3 268.158 2.981 40 0 CFABHN Cc1nccn1-c1cncc([C@H]2CCCN2C(C)C)n1 ZINC000072355535 176374945 /nfs/dbraw/zinc/37/49/45/176374945.db2.gz AWKHXCBVFOZQIX-CQSZACIVSA-N 0 3 271.368 2.516 40 0 CFABHN COc1cccc(-c2cncc([C@H]3CCCN(C)C3)n2)c1 ZINC000072359275 176376968 /nfs/dbraw/zinc/37/69/68/176376968.db2.gz WWBODDUZVVHKJI-AWEZNQCLSA-N 0 3 283.375 2.961 40 0 CFABHN CC(=O)Nc1nc(C2CCN(C(C)C)CC2)cs1 ZINC000072367744 176382854 /nfs/dbraw/zinc/38/28/54/176382854.db2.gz KGRICJKBAWYFEP-UHFFFAOYSA-N 0 3 267.398 2.689 40 0 CFABHN Cc1cc(C)n(-c2cccc(CN3CCC[C@H](CO)C3)c2)n1 ZINC000072397852 176395629 /nfs/dbraw/zinc/39/56/29/176395629.db2.gz BYNJAADZIQNUMU-KRWDZBQOSA-N 0 3 299.418 2.693 40 0 CFABHN Cc1cc(N2CCNCC2)c2cc(Cl)ccc2n1 ZINC000032500248 274708370 /nfs/dbraw/zinc/70/83/70/274708370.db2.gz MISDVEUJVSQWFZ-UHFFFAOYSA-N 0 3 261.756 2.606 40 0 CFABHN FC(F)(F)c1ccc2c(c1)nccc2N1CCNCC1 ZINC000044628743 274906778 /nfs/dbraw/zinc/90/67/78/274906778.db2.gz BVERGOAQAVGIGE-UHFFFAOYSA-N 0 3 281.281 2.663 40 0 CFABHN CCO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057430 276359910 /nfs/dbraw/zinc/35/99/10/276359910.db2.gz JVYLMSSRDYMCKS-RDBSUJKOSA-N 0 3 267.394 2.516 40 0 CFABHN CO[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048131 277301336 /nfs/dbraw/zinc/30/13/36/277301336.db2.gz RAEPJWAAWBEKTE-ZDUSSCGKSA-N 0 3 267.394 2.518 40 0 CFABHN CC1CCN([C@@H](CN)c2ccc(F)cc2F)CC1 ZINC000022170612 278549935 /nfs/dbraw/zinc/54/99/35/278549935.db2.gz FTDXKKBDPWCKMV-AWEZNQCLSA-N 0 3 254.324 2.697 40 0 CFABHN Cc1cc(N(C)C)cc([C@H]2CCCN2c2cnccn2)n1 ZINC000072356654 280537107 /nfs/dbraw/zinc/53/71/07/280537107.db2.gz KHKBTCZZHQIBMG-OAHLLOKOSA-N 0 3 283.379 2.588 40 0 CFABHN NC[C@@H](c1ccc(Br)cc1)N1CCCC1 ZINC000038809032 295244181 /nfs/dbraw/zinc/24/41/81/295244181.db2.gz AYXDZDZMVWQQLF-LBPRGKRZSA-N 0 3 269.186 2.545 40 0 CFABHN COc1ccccc1CN(CCN(C)C)Cc1ccncc1 ZINC000022913742 295360447 /nfs/dbraw/zinc/36/04/47/295360447.db2.gz HKUBDLFKZBGQHX-UHFFFAOYSA-N 0 3 299.418 2.654 40 0 CFABHN CN(C)CCNC(=O)CCc1ccc(C(C)(C)C)cc1 ZINC000013670478 326841374 /nfs/dbraw/zinc/84/13/74/326841374.db2.gz GTFMITWRLRNWDT-UHFFFAOYSA-N 0 3 276.424 2.595 40 0 CFABHN Cc1ccc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000086177783 524461756 /nfs/dbraw/zinc/46/17/56/524461756.db2.gz WENINCGHPHGZPN-QGZVFWFLSA-N 0 3 267.376 2.537 40 0 CFABHN Cc1cccc(-c2nc([C@H](N)c3ccccc3)n[nH]2)c1 ZINC000095533468 185007367 /nfs/dbraw/zinc/00/73/67/185007367.db2.gz CCJZVQFWSIYRTQ-CQSZACIVSA-N 0 3 264.332 2.828 40 0 CFABHN CCN1C(=O)CC[C@]12CCCN(Cc1ccc(C)o1)CC2 ZINC000096047499 185072788 /nfs/dbraw/zinc/07/27/88/185072788.db2.gz MAXQWBYLKDUZNI-KRWDZBQOSA-N 0 3 290.407 2.955 40 0 CFABHN O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1c1ccccc1 ZINC000096053572 185074778 /nfs/dbraw/zinc/07/47/78/185074778.db2.gz UDGWCHVTEADHMY-BBRMVZONSA-N 0 3 298.411 2.843 40 0 CFABHN CN1C(=O)CCC[C@@]12CCCN(Cc1cccs1)C2 ZINC000096049949 185074981 /nfs/dbraw/zinc/07/49/81/185074981.db2.gz XCHVUMMIKRIEPD-HNNXBMFYSA-N 0 3 278.421 2.725 40 0 CFABHN O=C1CC[C@@H]2[C@@H](CCN2Cc2cccs2)N1CC1CC1 ZINC000096056543 185077954 /nfs/dbraw/zinc/07/79/54/185077954.db2.gz IHPYPKBSOJYQQN-HUUCEWRRSA-N 0 3 290.432 2.723 40 0 CFABHN NCc1cc(-c2cc(Cl)ccc2Cl)ncn1 ZINC000409436635 348602602 /nfs/dbraw/zinc/60/26/02/348602602.db2.gz ONZUMYRENFKBQJ-UHFFFAOYSA-N 0 3 254.120 2.909 40 0 CFABHN CN(C(=O)OC(C)(C)C)C1(C(=N)NO)CCCCC1 ZINC000409442008 348602607 /nfs/dbraw/zinc/60/26/07/348602607.db2.gz SFVAWRRXDUUKJP-UHFFFAOYSA-N 0 3 271.361 2.512 40 0 CFABHN CO[C@@H]1CCN(Cc2c[nH]nc2C)C[C@H]1Cc1ccccc1 ZINC000585273363 348738808 /nfs/dbraw/zinc/73/88/08/348738808.db2.gz CWROKGOPRPPCQK-SJLPKXTDSA-N 0 3 299.418 2.798 40 0 CFABHN c1cncc(O[C@@H]2CSC3(CN(C4CCC4)C3)C2)c1 ZINC000585103296 348734556 /nfs/dbraw/zinc/73/45/56/348734556.db2.gz AQYIKEJVQJFWTC-AWEZNQCLSA-N 0 3 276.405 2.573 40 0 CFABHN Cc1nc[nH]c1CN(C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182303 348738142 /nfs/dbraw/zinc/73/81/42/348738142.db2.gz LIXJGTGJSVWLQZ-HNNXBMFYSA-N 0 3 299.422 2.522 40 0 CFABHN COc1ccc(CCNCc2cccc(C)n2)cc1OC ZINC000092428038 180383462 /nfs/dbraw/zinc/38/34/62/180383462.db2.gz DNHOHQUFBDGYDL-UHFFFAOYSA-N 0 3 286.375 2.740 40 0 CFABHN CCCCNCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 ZINC000001671730 371695199 /nfs/dbraw/zinc/69/51/99/371695199.db2.gz BUWVWEPRLRAUHW-UHFFFAOYSA-N 0 3 292.379 2.580 40 0 CFABHN CN(C)CC[C@@H](C(=O)c1ccccc1)c1ccncc1 ZINC000001675610 371697150 /nfs/dbraw/zinc/69/71/50/371697150.db2.gz AKVBROPYAOUTQJ-MRXNPFEDSA-N 0 3 268.360 3.000 40 0 CFABHN Cc1cccc(OC[C@@H](O)CN2CCCCC2)c1C ZINC000004304971 371849751 /nfs/dbraw/zinc/84/97/51/371849751.db2.gz YMIPAHJVTDIEJR-HNNXBMFYSA-N 0 3 263.381 2.529 40 0 CFABHN c1ccc([C@H]2NCCc3cc4c(cc32)OCCO4)cc1 ZINC000011599078 371921644 /nfs/dbraw/zinc/92/16/44/371921644.db2.gz SMOKRLYMPVJFHB-QGZVFWFLSA-N 0 3 267.328 2.693 40 0 CFABHN c1cn(CCCN(Cc2c[nH]cn2)C[C@@H]2CC=CCC2)cn1 ZINC000013991198 372056053 /nfs/dbraw/zinc/05/60/53/372056053.db2.gz QHOAOEPWGOZWAB-MRXNPFEDSA-N 0 3 299.422 2.855 40 0 CFABHN CNCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000016477831 372106982 /nfs/dbraw/zinc/10/69/82/372106982.db2.gz FKTHDJXGIXMGFA-UHFFFAOYSA-N 0 3 256.305 2.637 40 0 CFABHN CN1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000016189034 372101637 /nfs/dbraw/zinc/10/16/37/372101637.db2.gz RGGCEMJNHKZCSS-UHFFFAOYSA-N 0 3 267.760 2.509 40 0 CFABHN C[C@H]1CCCN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019496575 372167866 /nfs/dbraw/zinc/16/78/66/372167866.db2.gz YSOQIJBAYDAWOY-ZDUSSCGKSA-N 0 3 268.364 2.771 40 0 CFABHN COc1cc(C[NH2+]C(C)C)cc(Br)c1[O-] ZINC000019880366 372201381 /nfs/dbraw/zinc/20/13/81/372201381.db2.gz WYRDKLSIXIYOSR-UHFFFAOYSA-N 0 3 274.158 2.661 40 0 CFABHN CCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030756536 372397626 /nfs/dbraw/zinc/39/76/26/372397626.db2.gz RPAPKPGQKYYIQP-UHFFFAOYSA-N 0 3 260.381 2.668 40 0 CFABHN COc1cccc(C=O)c1OCCN1CCCCCC1 ZINC000031978734 372424014 /nfs/dbraw/zinc/42/40/14/372424014.db2.gz IIPUZHORXNSNFQ-UHFFFAOYSA-N 0 3 277.364 2.763 40 0 CFABHN c1coc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 ZINC000049169577 373273195 /nfs/dbraw/zinc/27/31/95/373273195.db2.gz WDIKTXQEXNCWOV-ZDUSSCGKSA-N 0 3 296.330 2.714 40 0 biogenic,in-vitro CFABHN OC[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1 ZINC000070453070 374179807 /nfs/dbraw/zinc/17/98/07/374179807.db2.gz BVUQQTRTHFEGGK-GFCCVEGCSA-N 0 3 259.271 2.835 40 0 CFABHN CC(C)N1CCC[C@H]1c1cccc(N2CCC(O)CC2)n1 ZINC000072364933 374246621 /nfs/dbraw/zinc/24/66/21/374246621.db2.gz LNTKWZHKNCZIKS-INIZCTEOSA-N 0 3 289.423 2.588 40 0 CFABHN CN1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000074713381 374434424 /nfs/dbraw/zinc/43/44/24/374434424.db2.gz BFUDCCVPRJFXOZ-UHFFFAOYSA-N 0 3 286.297 2.986 40 0 CFABHN COC[C@H]1Cn2nccc2CN(CC2CCCCC2)C1 ZINC000096188917 375474293 /nfs/dbraw/zinc/47/42/93/375474293.db2.gz SXKGFLMBAFVEDV-OAHLLOKOSA-N 0 3 277.412 2.542 40 0 CFABHN c1csc(CN2CC3(C2)CCN(Cc2cccnc2)C3)c1 ZINC000096202507 375477266 /nfs/dbraw/zinc/47/72/66/375477266.db2.gz UBAZWRZAUKCPSV-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN CN(C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1ccccc1 ZINC000096200801 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/nfs/dbraw/zinc/00/45/93/190004593.db2.gz MBZWOZVXCOZDHJ-UHFFFAOYSA-N 0 3 287.407 2.880 40 0 CFABHN Cc1cccc(C[C@@H]2CCCN(Cc3ccnc(C)n3)C2)n1 ZINC000257207053 190011891 /nfs/dbraw/zinc/01/18/91/190011891.db2.gz BGEHFJLLJRLRBX-INIZCTEOSA-N 0 3 296.418 2.943 40 0 CFABHN NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3)cn2)cc1 ZINC000257212619 190012857 /nfs/dbraw/zinc/01/28/57/190012857.db2.gz CEFSRPOUQSAYGE-OAHLLOKOSA-N 0 3 281.359 2.662 40 0 CFABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(C(C)C)C2)n1 ZINC000257219585 190014233 /nfs/dbraw/zinc/01/42/33/190014233.db2.gz DHIAVYHLACIGIT-CYBMUJFWSA-N 0 3 285.395 2.763 40 0 CFABHN Cc1noc(C)c1-c1nc(C)cc([C@@H]2CCCCN2)n1 ZINC000257253434 190020754 /nfs/dbraw/zinc/02/07/54/190020754.db2.gz JYYAJFQVBBZVSV-LBPRGKRZSA-N 0 3 272.352 2.871 40 0 CFABHN CC(C)N1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257247516 190019141 /nfs/dbraw/zinc/01/91/41/190019141.db2.gz IZICLAJRQATJIC-ZDUSSCGKSA-N 0 3 289.379 2.626 40 0 CFABHN CN1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1ccccn1 ZINC000257264186 190023016 /nfs/dbraw/zinc/02/30/16/190023016.db2.gz LTGPTOOOZLNDEM-RDJZCZTQSA-N 0 3 287.407 2.561 40 0 CFABHN Cc1cn(-c2ccnc([C@H]3CCCN(C)C3)c2)c(C)n1 ZINC000257264944 190023286 /nfs/dbraw/zinc/02/32/86/190023286.db2.gz LWPYRBNOOSZBOH-AWEZNQCLSA-N 0 3 270.380 2.693 40 0 CFABHN Fc1ccc(CN2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000257256412 190021262 /nfs/dbraw/zinc/02/12/62/190021262.db2.gz KLJSEQYDWVLZOD-CQSZACIVSA-N 0 3 271.339 2.995 40 0 CFABHN CC(C)n1nccc1CN1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257284756 190026234 /nfs/dbraw/zinc/02/62/34/190026234.db2.gz PEEKKGGUBSKORB-AWEZNQCLSA-N 0 3 287.411 2.642 40 0 CFABHN Cc1ncsc1CN1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257292844 190027886 /nfs/dbraw/zinc/02/78/86/190027886.db2.gz QNECJCRMIGUYHG-ZDUSSCGKSA-N 0 3 288.420 2.848 40 0 CFABHN CN1CCC[C@H](c2cccc(NCc3ccccn3)n2)C1 ZINC000257331933 190035806 /nfs/dbraw/zinc/03/58/06/190035806.db2.gz XUYOVMLFNDYUFZ-AWEZNQCLSA-N 0 3 282.391 2.898 40 0 CFABHN CCn1nccc1-c1cnc([C@H]2CCCN2C(C)C)cn1 ZINC000257334476 190036667 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/nfs/dbraw/zinc/78/69/07/382786907.db2.gz HUXKZFWCSOFXKM-CQSZACIVSA-N 0 3 285.326 2.586 40 0 CFABHN Cc1ccc(CN2CCC[C@H](CO)C2)c(Cl)c1 ZINC000235878830 382889165 /nfs/dbraw/zinc/88/91/65/382889165.db2.gz AQMSKZWZMXBKNM-LBPRGKRZSA-N 0 3 253.773 2.853 40 0 CFABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 ZINC000249694632 383356841 /nfs/dbraw/zinc/35/68/41/383356841.db2.gz PHBHBAPCLDGUFX-MJGOQNOKSA-N 0 3 298.430 2.661 40 0 CFABHN C[C@@]1(C(F)(F)F)CN(Cc2ccccc2)C[C@H]1CO ZINC000253380212 383453453 /nfs/dbraw/zinc/45/34/53/383453453.db2.gz GDPKXXOYAFTTGT-QWHCGFSZSA-N 0 3 273.298 2.679 40 0 CFABHN CCN1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@H]12 ZINC000096251900 256834668 /nfs/dbraw/zinc/83/46/68/256834668.db2.gz PHBHBAPCLDGUFX-HKUYNNGSSA-N 0 3 298.430 2.661 40 0 CFABHN C[C@H](NC(=O)[C@H]1CCCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000019806843 393484193 /nfs/dbraw/zinc/48/41/93/393484193.db2.gz YBIMVCRJKAICAR-ZHGJIWRESA-N 0 3 290.451 2.850 40 0 CFABHN CC[C@@H]1CNCc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000019500973 393483112 /nfs/dbraw/zinc/48/31/12/393483112.db2.gz WHOVAVWIEXSZGN-LLVKDONJSA-N 0 3 288.347 2.513 40 0 CFABHN CC(C)N1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216182 393645142 /nfs/dbraw/zinc/64/51/42/393645142.db2.gz AHKZVUHZUXFBLF-MRXNPFEDSA-N 0 3 289.423 2.854 40 0 CFABHN N[C@@H](c1ccccc1)c1ccc(Br)nc1 ZINC000072225036 393647864 /nfs/dbraw/zinc/64/78/64/393647864.db2.gz TWEWAAAXFOATKI-LBPRGKRZSA-N 0 3 263.138 2.892 40 0 CFABHN CC(C)n1nccc1-c1nccnc1[C@@H]1CCCN1C ZINC000257224171 393945140 /nfs/dbraw/zinc/94/51/40/393945140.db2.gz FAOPNKFXWXKARP-LBPRGKRZSA-N 0 3 271.368 2.688 40 0 CFABHN CN(C)CC[C@H](C(=O)c1ccccc1)c1ccncc1 ZINC000002045642 169771954 /nfs/dbraw/zinc/77/19/54/169771954.db2.gz AKVBROPYAOUTQJ-INIZCTEOSA-N 0 3 268.360 3.000 40 0 CFABHN COc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1 ZINC000006491808 170205892 /nfs/dbraw/zinc/20/58/92/170205892.db2.gz YUAPYBHZKDWMHE-CYBMUJFWSA-N 0 3 261.365 3.000 40 0 CFABHN CCOC(=O)c1ccc(-c2ccc(CNC)o2)cc1 ZINC000007520036 170288027 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/nfs/dbraw/zinc/33/96/59/276339659.db2.gz VTOBFROBQVVSTA-AWEZNQCLSA-N 0 3 281.421 2.908 40 0 CFABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccccn1 ZINC000257281378 277200261 /nfs/dbraw/zinc/20/02/61/277200261.db2.gz OOXCHUUKXILDJB-JXSMBQFASA-N 0 3 299.418 2.559 40 0 CFABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccccn1)C2 ZINC000257201688 290318176 /nfs/dbraw/zinc/31/81/76/290318176.db2.gz AIOVJGZEPQEGKO-SCNOPHJPSA-N 0 3 299.418 2.559 40 0 CFABHN COCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007541201 230370192 /nfs/dbraw/zinc/37/01/92/230370192.db2.gz AYNHHXLHOHWHMZ-LBPRGKRZSA-N 0 3 275.348 2.736 40 0 CFABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccco1)CC2 ZINC000096047488 185073572 /nfs/dbraw/zinc/07/35/72/185073572.db2.gz VGCGCMXCVMEBBU-MRXNPFEDSA-N 0 3 276.380 2.647 40 0 CFABHN c1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)co1 ZINC000096055835 185075722 /nfs/dbraw/zinc/07/57/22/185075722.db2.gz XEBKOEJBUBNAGX-DLBZAZTESA-N 0 3 283.375 2.523 40 0 CFABHN COC[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 ZINC000096056379 185078082 /nfs/dbraw/zinc/07/80/82/185078082.db2.gz OGHVEFSYHCSWDB-BZUAXINKSA-N 0 3 279.355 2.594 40 0 CFABHN CO[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccccc1 ZINC000096061578 185083146 /nfs/dbraw/zinc/08/31/46/185083146.db2.gz UNXRSVALSSFAIS-ZWKOTPCHSA-N 0 3 282.387 2.914 40 0 CFABHN COC[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096106256 185098474 /nfs/dbraw/zinc/09/84/74/185098474.db2.gz FTIPOCJYFJVOPF-HNNXBMFYSA-N 0 3 293.407 2.853 40 0 CFABHN COCCN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 ZINC000053400153 346545520 /nfs/dbraw/zinc/54/55/20/346545520.db2.gz MWQZZVGKDNDBNS-CQSZACIVSA-N 0 3 277.364 2.631 40 0 CFABHN Cc1n[nH]cc1CN1CCC[C@H](O)[C@@H]1Cc1ccc(C)cc1 ZINC000585274833 348738671 /nfs/dbraw/zinc/73/86/71/348738671.db2.gz PAWIESMOTPQGOJ-ROUUACIJSA-N 0 3 299.418 2.595 40 0 CFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3cccs3)C2)C1 ZINC000585103311 348734208 /nfs/dbraw/zinc/73/42/08/348734208.db2.gz UKMPVSFHSNBBMM-CQSZACIVSA-N 0 3 294.464 2.681 40 0 CFABHN COCC[C@H]1CCOC12CCN(Cc1ccoc1)CC2 ZINC000585102606 348734316 /nfs/dbraw/zinc/73/43/16/348734316.db2.gz CABCSTGVFSCAFZ-HNNXBMFYSA-N 0 3 279.380 2.687 40 0 CFABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3ccsc3)C2)C1 ZINC000585103014 348734462 /nfs/dbraw/zinc/73/44/62/348734462.db2.gz OBFZRFDAPGMJRP-CQSZACIVSA-N 0 3 294.464 2.681 40 0 CFABHN C(O[C@@H]1CSC2(CN(C3CCC3)C2)C1)C1CCOCC1 ZINC000585105447 348734584 /nfs/dbraw/zinc/73/45/84/348734584.db2.gz WRUMHOXFCKEYOJ-HNNXBMFYSA-N 0 3 297.464 2.542 40 0 CFABHN Cc1nc[nH]c1CN(C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182304 348737979 /nfs/dbraw/zinc/73/79/79/348737979.db2.gz LIXJGTGJSVWLQZ-OAHLLOKOSA-N 0 3 299.422 2.522 40 0 CFABHN Cc1ccc(CN2C[C@@H]3[C@H](CC(=O)NC(C)C)[C@@H]3C2)s1 ZINC000107745867 186189295 /nfs/dbraw/zinc/18/92/95/186189295.db2.gz RBPYKPOSYIQREI-QDMKHBRRSA-N 0 3 292.448 2.649 40 0 CFABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccccc1F)C2 ZINC000108535627 186222038 /nfs/dbraw/zinc/22/20/38/186222038.db2.gz CRHJRCCHXPVQGF-WMLDXEAASA-N 0 3 290.382 2.564 40 0 CFABHN CN1CCC(OC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000000005501 371507564 /nfs/dbraw/zinc/50/75/64/371507564.db2.gz UTMUNUADNIHAHH-UHFFFAOYSA-N 0 3 268.744 2.983 40 0 CFABHN Cc1cccc(Cl)c1NC(=O)CSCCN(C)C ZINC000001587103 371684464 /nfs/dbraw/zinc/68/44/64/371684464.db2.gz FPWNQEZLBGMHJV-UHFFFAOYSA-N 0 3 286.828 2.882 40 0 CFABHN COC(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000001664916 371692378 /nfs/dbraw/zinc/69/23/78/371692378.db2.gz MFLWNXUSRQKJLH-UHFFFAOYSA-N 0 3 272.348 2.553 40 0 CFABHN C[C@H]1CCC[C@@H]1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000010434841 371908581 /nfs/dbraw/zinc/90/85/81/371908581.db2.gz KSIMRCJXVNOUTP-QGTPRVQTSA-N 0 3 289.419 2.611 40 0 CFABHN CN(C)CCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000019367683 372158233 /nfs/dbraw/zinc/15/82/33/372158233.db2.gz YKMZEBJFTJPMGZ-ROUUACIJSA-N 0 3 284.403 2.613 40 0 CFABHN CC[C@H]1CNCc2cc3c(OC)ccc(OC)c3nc2O1 ZINC000019500974 372170056 /nfs/dbraw/zinc/17/00/56/372170056.db2.gz WHOVAVWIEXSZGN-NSHDSACASA-N 0 3 288.347 2.513 40 0 CFABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Cl ZINC000019796135 372189854 /nfs/dbraw/zinc/18/98/54/372189854.db2.gz FXBQVCOUHWUKDC-NSHDSACASA-N 0 3 270.760 2.865 40 0 CFABHN NCc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC000026443823 372320162 /nfs/dbraw/zinc/32/01/62/372320162.db2.gz HFYUVXOTCMQHTO-UHFFFAOYSA-N 0 3 253.305 2.601 40 0 CFABHN Cc1cc([C@@H](N)CNC(=O)OC(C)(C)C)ccc1F ZINC000034781559 372513921 /nfs/dbraw/zinc/51/39/21/372513921.db2.gz RPMXTRFQCUSGND-LBPRGKRZSA-N 0 3 268.332 2.659 40 0 CFABHN CCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000052527967 373446080 /nfs/dbraw/zinc/44/60/80/373446080.db2.gz VMMLMODMWNYUCK-UHFFFAOYSA-N 0 3 260.381 2.699 40 0 CFABHN CN1CCC(CC(=O)NCc2ccccc2Cl)CC1 ZINC000074920916 374446470 /nfs/dbraw/zinc/44/64/70/374446470.db2.gz JTKCTEZKFOGPRD-UHFFFAOYSA-N 0 3 280.799 2.688 40 0 CFABHN CCc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074920992 374446543 /nfs/dbraw/zinc/44/65/43/374446543.db2.gz NVIZAMQWEUSYAW-UHFFFAOYSA-N 0 3 260.381 2.919 40 0 CFABHN CCc1ccc(NC(=O)CC2CCN(C)CC2)cc1 ZINC000074920993 374446706 /nfs/dbraw/zinc/44/67/06/374446706.db2.gz XKDXJPDFDWDOFD-UHFFFAOYSA-N 0 3 260.381 2.919 40 0 CFABHN C[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 ZINC000079420328 374610033 /nfs/dbraw/zinc/61/00/33/374610033.db2.gz XBNBLYDUTXHWFL-QMMMGPOBSA-N 0 3 287.190 2.832 40 0 CFABHN CCN(Cc1cccc(Cl)c1Cl)C(=O)[C@H](C)N ZINC000079420918 374610427 /nfs/dbraw/zinc/61/04/27/374610427.db2.gz HIUYPLOBHHPIHS-QMMMGPOBSA-N 0 3 275.179 2.689 40 0 CFABHN Nc1cccnc1NC1CCN(Cc2ccccc2)CC1 ZINC000095079709 375408771 /nfs/dbraw/zinc/40/87/71/375408771.db2.gz PFHDYPGBVBYERH-UHFFFAOYSA-N 0 3 282.391 2.740 40 0 CFABHN c1csc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)c1 ZINC000096208900 375476784 /nfs/dbraw/zinc/47/67/84/375476784.db2.gz SHEDCTVZDQVTDH-GDBMZVCRSA-N 0 3 293.432 2.623 40 0 CFABHN c1cc(CN2CCC3(C[C@H](OCC4CC4)CO3)CC2)co1 ZINC000096208996 375477833 /nfs/dbraw/zinc/47/78/33/375477833.db2.gz RYEKQACXHRIAGI-INIZCTEOSA-N 0 3 291.391 2.830 40 0 CFABHN CCc1nc(C)c(CN2CCC[C@H](c3n[nH]cc3C)C2)[nH]1 ZINC000257216258 190014263 /nfs/dbraw/zinc/01/42/63/190014263.db2.gz CTSJOXXEHIYPNV-ZDUSSCGKSA-N 0 3 287.411 2.692 40 0 CFABHN CCn1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 ZINC000257238787 190017571 /nfs/dbraw/zinc/01/75/71/190017571.db2.gz HMNGQUMLNNJYFP-CQSZACIVSA-N 0 3 287.411 2.623 40 0 CFABHN COc1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)ccc1F ZINC000257240768 190018667 /nfs/dbraw/zinc/01/86/67/190018667.db2.gz HVDFLWQRCSYACW-CYBMUJFWSA-N 0 3 289.354 2.855 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCN(CCOc2ccccc2)C1 ZINC000257265434 190023252 /nfs/dbraw/zinc/02/32/52/190023252.db2.gz LYQFJNQCQHRKRS-CQSZACIVSA-N 0 3 271.364 2.586 40 0 CFABHN c1cc([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n[nH]1 ZINC000257260564 190022414 /nfs/dbraw/zinc/02/24/14/190022414.db2.gz LDKCYBNISURFQB-HNNXBMFYSA-N 0 3 281.359 2.675 40 0 CFABHN CC(C)n1nccc1-c1cnc(C[C@@H]2CCCN(C)C2)cn1 ZINC000257271776 190024294 /nfs/dbraw/zinc/02/42/94/190024294.db2.gz MZTBTBLNDMJYLT-AWEZNQCLSA-N 0 3 299.422 2.805 40 0 CFABHN COc1ccc([C@@H]2CNCCN2Cc2ccc(C)nc2)cc1 ZINC000257295131 190028604 /nfs/dbraw/zinc/02/86/04/190028604.db2.gz QXBQTNIBAYPFHC-SFHVURJKSA-N 0 3 297.402 2.545 40 0 CFABHN CCn1cc(CN2CCC(Cc3ccncc3)CC2)cn1 ZINC000257306919 190031381 /nfs/dbraw/zinc/03/13/81/190031381.db2.gz SWOMZKYJHDDXBR-UHFFFAOYSA-N 0 3 284.407 2.753 40 0 CFABHN COc1cc(CN2CCC[C@H](c3cc[nH]n3)C2)ccc1F ZINC000257327882 190035034 /nfs/dbraw/zinc/03/50/34/190035034.db2.gz XDDBERPXRDVVKF-ZDUSSCGKSA-N 0 3 289.354 2.937 40 0 CFABHN CN1CCC(c2cccc(NCc3cccnc3)n2)CC1 ZINC000257334288 190035455 /nfs/dbraw/zinc/03/54/55/190035455.db2.gz YFGUZLBWLZUQDF-UHFFFAOYSA-N 0 3 282.391 2.898 40 0 CFABHN CCc1ccc(CNCc2ccc(OC)cc2)n1C ZINC000226019589 382824400 /nfs/dbraw/zinc/82/44/00/382824400.db2.gz BENRWXTWWYFCDN-UHFFFAOYSA-N 0 3 258.365 2.886 40 0 CFABHN Cc1cc(-c2cccc([C@H]3CCCN(C)C3)n2)n[nH]1 ZINC000257257379 383493577 /nfs/dbraw/zinc/49/35/77/383493577.db2.gz KPJMQYCBTRQZMQ-LBPRGKRZSA-N 0 3 256.353 2.589 40 0 CFABHN CCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219642 256707287 /nfs/dbraw/zinc/70/72/87/256707287.db2.gz ICPQJJHKCURCBB-INIZCTEOSA-N 0 3 289.423 2.774 40 0 CFABHN CC(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 ZINC000000812219 169680051 /nfs/dbraw/zinc/68/00/51/169680051.db2.gz HPDBYHMHQWXXEW-UHFFFAOYSA-N 0 3 274.364 2.750 40 0 CFABHN COCCNCc1cccn1Cc1cccc(C)c1 ZINC000035293111 393520288 /nfs/dbraw/zinc/52/02/88/393520288.db2.gz XHQVWIABPGFLCG-UHFFFAOYSA-N 0 3 258.365 2.581 40 0 CFABHN CCOC(=O)C[C@@H](NC1CC1)c1ccc(F)cc1 ZINC000072210281 393643527 /nfs/dbraw/zinc/64/35/27/393643527.db2.gz RVEHGMQQNKBGJX-CYBMUJFWSA-N 0 3 251.301 2.572 40 0 CFABHN CC(C)N1CCCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216242 393645386 /nfs/dbraw/zinc/64/53/86/393645386.db2.gz FYMPNMKYTDBKDR-MRXNPFEDSA-N 0 3 289.423 2.854 40 0 CFABHN CCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C ZINC000072219641 393646161 /nfs/dbraw/zinc/64/61/61/393646161.db2.gz ICPQJJHKCURCBB-MRXNPFEDSA-N 0 3 289.423 2.774 40 0 CFABHN C[C@@H]1CCCN([C@H](CN)c2cncc(Br)c2)C1 ZINC000252486312 393935517 /nfs/dbraw/zinc/93/55/17/393935517.db2.gz IGLNQGPKWSTJQT-ZWNOBZJWSA-N 0 3 298.228 2.576 40 0 CFABHN Cc1cncc([C@@H]2CCCN(c3ccncc3)C2)n1 ZINC000257240719 393945234 /nfs/dbraw/zinc/94/52/34/393945234.db2.gz HUVFXEFVXPLRFF-CYBMUJFWSA-N 0 3 254.337 2.564 40 0 CFABHN C/C=C\[C@](O)(C(=O)OC1CCN(C)CC1)C1CCCCC1 ZINC000005954583 170162141 /nfs/dbraw/zinc/16/21/41/170162141.db2.gz MGXDQTQGWGFXKM-JMTCBFGJSA-N 0 3 295.423 2.511 40 0 CFABHN CC(C)(C)OC(=O)NC[C@H](N)c1ccc(Cl)cc1 ZINC000019796183 170869308 /nfs/dbraw/zinc/86/93/08/170869308.db2.gz DLXYTYBSFHTRKZ-NSHDSACASA-N 0 3 270.760 2.865 40 0 CFABHN c1ncn(CCNC(c2ccccc2)c2ccccc2)n1 ZINC000022115179 171353066 /nfs/dbraw/zinc/35/30/66/171353066.db2.gz UODDNIFKMNEDCJ-UHFFFAOYSA-N 0 3 278.359 2.657 40 0 CFABHN CC(C)(C)OC(=O)NCc1ccc(Cl)cc1CN ZINC000038303497 174138819 /nfs/dbraw/zinc/13/88/19/174138819.db2.gz JWQXARVKTIKFTR-UHFFFAOYSA-N 0 3 270.760 2.823 40 0 CFABHN CC1(C)NCCO[C@@H]1c1ccccc1Br ZINC000071601320 176228438 /nfs/dbraw/zinc/22/84/38/176228438.db2.gz KSXAIJANNQJAAW-LLVKDONJSA-N 0 3 270.170 2.889 40 0 CFABHN COCCN1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072355797 176375054 /nfs/dbraw/zinc/37/50/54/176375054.db2.gz KVPMACSBIQTAFT-INIZCTEOSA-N 0 3 283.375 2.927 40 0 CFABHN c1cncc(CN2CCC[C@H](c3ccncc3)C2)c1 ZINC000072367962 176382397 /nfs/dbraw/zinc/38/23/97/176382397.db2.gz UJISCIFCYZQGBE-INIZCTEOSA-N 0 3 253.349 2.856 40 0 CFABHN c1ccc(C[C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000072385080 176389136 /nfs/dbraw/zinc/38/91/36/176389136.db2.gz HFKUFNWLCYAPIN-OAHLLOKOSA-N 0 3 267.376 2.931 40 0 CFABHN OCC[C@H]1CCCCN1Cc1c[nH]nc1-c1cccs1 ZINC000072397790 176395378 /nfs/dbraw/zinc/39/53/78/176395378.db2.gz CXKCWLGIGPEHBS-CYBMUJFWSA-N 0 3 291.420 2.875 40 0 CFABHN C[C@@H]1C[C@H](C)CN(CC(=O)N2N=CC[C@@H]2c2ccccc2)C1 ZINC000017024826 274398559 /nfs/dbraw/zinc/39/85/59/274398559.db2.gz ZUUATDISHOXEKE-HLLBOEOZSA-N 0 3 299.418 2.924 40 0 CFABHN Brc1ccc([C@H]2CSCCN2)cc1 ZINC000019772787 275370089 /nfs/dbraw/zinc/37/00/89/275370089.db2.gz XVKSWTNCFWGQCJ-SNVBAGLBSA-N 0 3 258.184 2.827 40 0 CFABHN CCn1c(N)ncc1-c1ccc(Br)cc1 ZINC000022130283 276710124 /nfs/dbraw/zinc/71/01/24/276710124.db2.gz GBRGDVMXEYIGNG-UHFFFAOYSA-N 0 3 266.142 2.915 40 0 CFABHN C[C@@](CN)(c1ccccc1Cl)N1CCCCC1 ZINC000070453420 297837555 /nfs/dbraw/zinc/83/75/55/297837555.db2.gz JZMLCYJOSGXWFI-CQSZACIVSA-N 0 3 252.789 3.000 40 0 CFABHN CCc1ccc(CNCCNc2nc(C)cc(C)n2)cc1 ZINC000062717860 333176161 /nfs/dbraw/zinc/17/61/61/333176161.db2.gz MMPNWNJUFXSZNE-UHFFFAOYSA-N 0 3 284.407 2.858 40 0 CFABHN COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(C)cc3)n2)cc1 ZINC000095533742 185006165 /nfs/dbraw/zinc/00/61/65/185006165.db2.gz MHMSNTDCNICZSI-OAHLLOKOSA-N 0 3 294.358 2.837 40 0 CFABHN CC(C)(C)c1nnc([C@@H](N)c2ccc(Cl)cc2)[nH]1 ZINC000095534019 185007262 /nfs/dbraw/zinc/00/72/62/185007262.db2.gz WVLFTEAMDBAMEG-JTQLQIEISA-N 0 3 264.760 2.804 40 0 CFABHN CC(C)(C)c1nc([C@@H](N)c2ccc(Cl)cc2)n[nH]1 ZINC000095534019 185007263 /nfs/dbraw/zinc/00/72/63/185007263.db2.gz WVLFTEAMDBAMEG-JTQLQIEISA-N 0 3 264.760 2.804 40 0 CFABHN CCO[C@@H]1COC2(C1)CCN(Cc1ccc(C)o1)CC2 ZINC000096048103 185072360 /nfs/dbraw/zinc/07/23/60/185072360.db2.gz MLHHEWQTODOAIP-HNNXBMFYSA-N 0 3 279.380 2.748 40 0 CFABHN O=C1N(CC2CC2)CCC12CCN(Cc1ccco1)CC2 ZINC000096046870 185073047 /nfs/dbraw/zinc/07/30/47/185073047.db2.gz XPGXOOWOUNSWCK-UHFFFAOYSA-N 0 3 288.391 2.504 40 0 CFABHN CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(C)o1)CC2 ZINC000096047498 185073682 /nfs/dbraw/zinc/07/36/82/185073682.db2.gz MAXQWBYLKDUZNI-QGZVFWFLSA-N 0 3 290.407 2.955 40 0 CFABHN Cc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)o1 ZINC000096053731 185074255 /nfs/dbraw/zinc/07/42/55/185074255.db2.gz ZIDDQGPVLYOTBE-IRXDYDNUSA-N 0 3 297.402 2.547 40 0 CFABHN CCOC[C@@H]1CN(CC2CC2)Cc2cn(CC3CC3)nc21 ZINC000096059976 185081850 /nfs/dbraw/zinc/08/18/50/185081850.db2.gz VDURKSXSACDKCP-INIZCTEOSA-N 0 3 289.423 2.639 40 0 CFABHN c1cncc(OCc2cncc3c2CCN(CC2CC2)C3)c1 ZINC000096067369 185085784 /nfs/dbraw/zinc/08/57/84/185085784.db2.gz GNGLGHQVFZYTKG-UHFFFAOYSA-N 0 3 295.386 2.824 40 0 CFABHN C[C@@H]1C[C@@H](C)CN(CC(=O)N2N=CC[C@H]2c2ccccc2)C1 ZINC000008559896 346224904 /nfs/dbraw/zinc/22/49/04/346224904.db2.gz ZUUATDISHOXEKE-INMHGKMJSA-N 0 3 299.418 2.924 40 0 CFABHN O=C1[C@@H]2CN(Cc3ccsc3)C[C@@H]2CN1c1ccccc1 ZINC000107742857 186189051 /nfs/dbraw/zinc/18/90/51/186189051.db2.gz GBXOLJUGJKBEIV-GDBMZVCRSA-N 0 3 298.411 2.843 40 0 CFABHN O=C1NCC[C@@]12CCCN(Cc1ccc(Cl)cc1)CC2 ZINC000108535259 186222435 /nfs/dbraw/zinc/22/24/35/186222435.db2.gz STDMBEIVWXSYQL-MRXNPFEDSA-N 0 3 292.810 2.832 40 0 CFABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1ccccc1F)C2 ZINC000108535634 186222690 /nfs/dbraw/zinc/22/26/90/186222690.db2.gz CRHJRCCHXPVQGF-PBHICJAKSA-N 0 3 290.382 2.564 40 0 CFABHN CSCC[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000002169532 371718651 /nfs/dbraw/zinc/71/86/51/371718651.db2.gz CHWHUPKCZKLQIM-CQSZACIVSA-N 0 3 274.389 2.859 40 0 in-vitro CFABHN O[C@@H](CN[C@@H]1CCc2ccccc21)COc1ccccc1 ZINC000001718125 371702014 /nfs/dbraw/zinc/70/20/14/371702014.db2.gz MXUUOMBREIUEQT-MAUKXSAKSA-N 0 3 283.371 2.703 40 0 CFABHN c1ccc(CN2CCC(c3ccncc3)CC2)nc1 ZINC000012117349 371945331 /nfs/dbraw/zinc/94/53/31/371945331.db2.gz HZCBDOOHVFOWDI-UHFFFAOYSA-N 0 3 253.349 2.856 40 0 CFABHN O=C(NCCN1CCCCCC1)C1CCCCC1 ZINC000013716961 372043470 /nfs/dbraw/zinc/04/34/70/372043470.db2.gz ZHQVXJMHFHCATA-UHFFFAOYSA-N 0 3 252.402 2.559 40 0 CFABHN Fc1ccccc1NC(=S)NCCN1CCCCC1 ZINC000016450440 372107565 /nfs/dbraw/zinc/10/75/65/372107565.db2.gz VXZQJZIZZSAQER-UHFFFAOYSA-N 0 3 281.400 2.598 40 0 CFABHN COC(=O)CC1CCN(Cc2cccs2)CC1 ZINC000015423845 372083613 /nfs/dbraw/zinc/08/36/13/372083613.db2.gz FJDXCMKDEYFVGX-UHFFFAOYSA-N 0 3 253.367 2.523 40 0 CFABHN OC1CCN(Cc2c3cccnc3[nH]c2-c2ccco2)CC1 ZINC000019345213 372156501 /nfs/dbraw/zinc/15/65/01/372156501.db2.gz ODSGUWORUCWINP-UHFFFAOYSA-N 0 3 297.358 2.780 40 0 CFABHN CN(C)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000019367680 372158744 /nfs/dbraw/zinc/15/87/44/372158744.db2.gz YKMZEBJFTJPMGZ-ZWKOTPCHSA-N 0 3 284.403 2.613 40 0 CFABHN NC[C@H](NC(=O)OCc1ccccc1)c1ccccc1 ZINC000026896653 372331669 /nfs/dbraw/zinc/33/16/69/372331669.db2.gz KJUKXDDEPPBPSY-HNNXBMFYSA-N 0 3 270.332 2.613 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000037798514 372712830 /nfs/dbraw/zinc/71/28/30/372712830.db2.gz AQVFTIJLZKWDLQ-LBPRGKRZSA-N 0 3 289.206 2.935 40 0 CFABHN COc1ccccc1CNC[C@H](C)C(=O)OC(C)(C)C ZINC000047219116 373085201 /nfs/dbraw/zinc/08/52/01/373085201.db2.gz XDRIGUFYNGHEEQ-LBPRGKRZSA-N 0 3 279.380 2.763 40 0 CFABHN CC(C)N1CCC[C@H]1c1ccnc(Nc2cncnc2)n1 ZINC000072377467 374246527 /nfs/dbraw/zinc/24/65/27/374246527.db2.gz KXORBZJHSKRQAL-AWEZNQCLSA-N 0 3 284.367 2.556 40 0 CFABHN COc1ccc(NC(=O)C2CCN(C)CC2)cc1Cl ZINC000074713357 374434933 /nfs/dbraw/zinc/43/49/33/374434933.db2.gz QNROJCIEOBEBQU-UHFFFAOYSA-N 0 3 282.771 2.629 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1cc(Cl)ccc1Cl ZINC000079420350 374610723 /nfs/dbraw/zinc/61/07/23/374610723.db2.gz OQJRXJGRFYHOOG-LBPRGKRZSA-N 0 3 289.206 2.935 40 0 CFABHN O=C1CC[C@H]2[C@H](CCN2Cc2ccccc2)N1CC1CC1 ZINC000096186271 375474596 /nfs/dbraw/zinc/47/45/96/375474596.db2.gz DNHYFMDLAUMMNB-IRXDYDNUSA-N 0 3 284.403 2.662 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)o1 ZINC000096184669 375474736 /nfs/dbraw/zinc/47/47/36/375474736.db2.gz YKHLFDRCMBYROZ-MSOLQXFVSA-N 0 3 297.402 2.832 40 0 CFABHN c1cc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cs1 ZINC000096202505 375476745 /nfs/dbraw/zinc/47/67/45/375476745.db2.gz GYHDCBUNBJKROD-UHFFFAOYSA-N 0 3 299.443 2.851 40 0 CFABHN c1cc(CN2CCC3(CN(c4ccccn4)C3)C2)cs1 ZINC000096202748 375477882 /nfs/dbraw/zinc/47/78/82/375477882.db2.gz ZJTLSQKEDBXFLV-UHFFFAOYSA-N 0 3 285.416 2.855 40 0 CFABHN CCN1CCC2(CCC(=O)N2Cc2cccc(C)c2)CC1 ZINC000096228251 375480400 /nfs/dbraw/zinc/48/04/00/375480400.db2.gz BCGWDBKBPWMGGN-UHFFFAOYSA-N 0 3 286.419 2.972 40 0 CFABHN Cc1cc(C)nc([C@@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257254250 190021030 /nfs/dbraw/zinc/02/10/30/190021030.db2.gz KCIBXFXBRYFYBJ-OAHLLOKOSA-N 0 3 282.391 2.786 40 0 CFABHN CNc1ncccc1CN1CCC[C@H](Cc2ccccn2)C1 ZINC000257276340 190025095 /nfs/dbraw/zinc/02/50/95/190025095.db2.gz NTGVEYXMADBDPA-OAHLLOKOSA-N 0 3 296.418 2.973 40 0 CFABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)C)c1 ZINC000257297021 190029655 /nfs/dbraw/zinc/02/96/55/190029655.db2.gz RFKZCADGJDVRNS-UHFFFAOYSA-N 0 3 283.375 2.512 40 0 CFABHN c1[nH]nc2nc([C@@H]3CCCN(Cc4ccccn4)C3)ccc12 ZINC000257302154 190030244 /nfs/dbraw/zinc/03/02/44/190030244.db2.gz SBSQGFXSLMGQPF-CQSZACIVSA-N 0 3 293.374 2.733 40 0 CFABHN Cc1cncc(CN2CCC[C@H](c3ccncn3)C2)c1 ZINC000257316412 190032743 /nfs/dbraw/zinc/03/27/43/190032743.db2.gz VFMJWJWPLDBGOD-HNNXBMFYSA-N 0 3 268.364 2.560 40 0 CFABHN Cc1cncc(CN2CCC[C@@H](c3ccncn3)C2)c1 ZINC000257316413 190033027 /nfs/dbraw/zinc/03/30/27/190033027.db2.gz VFMJWJWPLDBGOD-OAHLLOKOSA-N 0 3 268.364 2.560 40 0 CFABHN Cc1ccc(-c2ccc3nnc([C@@H]4CCCN4)n3n2)cc1C ZINC000217555817 382787028 /nfs/dbraw/zinc/78/70/28/382787028.db2.gz RHNLDBZEGDRHHM-HNNXBMFYSA-N 0 3 293.374 2.833 40 0 CFABHN Cc1ccc(-c2ccc3nnc([C@@H](N)C(C)C)n3n2)cc1 ZINC000217564502 382787059 /nfs/dbraw/zinc/78/70/59/382787059.db2.gz YHOZYWWCQNNIOA-HNNXBMFYSA-N 0 3 281.363 2.756 40 0 CFABHN COc1ccc([C@H]2CC(N)=NN2c2ccc(OC)cc2)cc1 ZINC000222548017 382802421 /nfs/dbraw/zinc/80/24/21/382802421.db2.gz CGAXXLFDUUJXQR-MRXNPFEDSA-N 0 3 297.358 2.927 40 0 CFABHN COCCNCc1cccn1[C@@H](C)c1ccccc1 ZINC000223691469 382806325 /nfs/dbraw/zinc/80/63/25/382806325.db2.gz JOXYBHKOQWEQGD-AWEZNQCLSA-N 0 3 258.365 2.833 40 0 CFABHN COCCNCc1cccn1-c1cccc(Cl)c1 ZINC000223685064 382806400 /nfs/dbraw/zinc/80/64/00/382806400.db2.gz RESMTPBZBAWALO-UHFFFAOYSA-N 0 3 264.756 2.867 40 0 CFABHN COCCNCc1ccn([C@H](C)c2ccccc2)c1 ZINC000223695003 382806527 /nfs/dbraw/zinc/80/65/27/382806527.db2.gz UENRWNZJKNYJKX-CQSZACIVSA-N 0 3 258.365 2.833 40 0 CFABHN CN(C)CCNC(=O)CCc1c(Cl)cccc1Cl ZINC000225353462 382814486 /nfs/dbraw/zinc/81/44/86/382814486.db2.gz RVVOCKKKVWHEGE-UHFFFAOYSA-N 0 3 289.206 2.604 40 0 CFABHN C[C@@H]1CN(Cc2ccccc2)C[C@]1(CO)C(F)(F)F ZINC000253380275 383453710 /nfs/dbraw/zinc/45/37/10/383453710.db2.gz YRQQNNUMEBZONG-DGCLKSJQSA-N 0 3 273.298 2.679 40 0 CFABHN Cc1nc([C@H]2CCCN(C)C2)cc(C(F)(F)F)n1 ZINC000257212613 383493518 /nfs/dbraw/zinc/49/35/18/383493518.db2.gz CEFKLXVTBNRLJY-VIFPVBQESA-N 0 3 259.275 2.613 40 0 CFABHN c1ccc2c(c1)CCN[C@H]2[C@@H]1NCCc2ccccc21 ZINC000022595046 285503928 /nfs/dbraw/zinc/50/39/28/285503928.db2.gz NDHNLLQPMVDMRO-QZTJIDSGSA-N 0 3 264.372 2.760 40 0 CFABHN CCC[C@@H](NCc1cnc(N)nc1)c1ccccc1 ZINC000062717395 393627556 /nfs/dbraw/zinc/62/75/56/393627556.db2.gz KRDFBXROQNLRHK-CQSZACIVSA-N 0 3 256.353 2.690 40 0 CFABHN CCN(C)c1ncc([C@H](N)c2ccccc2)cc1C ZINC000072222208 393646604 /nfs/dbraw/zinc/64/66/04/393646604.db2.gz RHLUQTBIGPUKAT-OAHLLOKOSA-N 0 3 255.365 2.894 40 0 CFABHN CN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2 ZINC000585100222 395100323 /nfs/dbraw/zinc/10/03/23/395100323.db2.gz IBBJLTQOXFDWFS-QGZVFWFLSA-N 0 3 290.382 2.803 40 0 CFABHN CNCc1cc(Br)ccc1Oc1ncccn1 ZINC000575423929 397584274 /nfs/dbraw/zinc/58/42/74/397584274.db2.gz UJNSUTLBANSJFU-UHFFFAOYSA-N 0 3 294.152 2.751 40 0 CFABHN COc1cc2c(cc1OC)[C@@H](C1(O)CCCCC1)NCC2 ZINC000001633473 286259893 /nfs/dbraw/zinc/25/98/93/286259893.db2.gz AUNGERODPATJIY-INIZCTEOSA-N 0 3 291.391 2.586 40 0 CFABHN N[C@@]1(c2ccccc2)CON=C(c2ccccc2)C1 ZINC000006579123 170215424 /nfs/dbraw/zinc/21/54/24/170215424.db2.gz VPZLBDBUTFWVGR-MRXNPFEDSA-N 0 3 252.317 2.665 40 0 CFABHN COC(=O)c1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000007539263 170290216 /nfs/dbraw/zinc/29/02/16/170290216.db2.gz SBYBTZMNXSZORF-UHFFFAOYSA-N 0 3 271.316 2.985 40 0 CFABHN CCN(CC)CCNCc1cc(Cl)ccc1OC ZINC000022076442 171352276 /nfs/dbraw/zinc/35/22/76/171352276.db2.gz AIFCWJRUFJPQFN-UHFFFAOYSA-N 0 3 270.804 2.780 40 0 CFABHN CC(C)[C@H](N)C(=O)N[C@H](C)c1cccc(Cl)c1 ZINC000038092779 174106861 /nfs/dbraw/zinc/10/68/61/174106861.db2.gz SFFJIQODSLIJNI-SKDRFNHKSA-N 0 3 254.761 2.501 40 0 CFABHN CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000044137712 175146040 /nfs/dbraw/zinc/14/60/40/175146040.db2.gz AZWYVTAQBOKVTA-UHFFFAOYSA-N 0 3 264.369 2.643 40 0 CFABHN CC1(C)NCCO[C@H]1c1ccc(Br)cc1 ZINC000071601303 176228212 /nfs/dbraw/zinc/22/82/12/176228212.db2.gz HCPKTHKFUIHTJT-NSHDSACASA-N 0 3 270.170 2.889 40 0 CFABHN CN1CCC[C@@H]1c1ccc(-c2cccc(C(N)=O)c2)cn1 ZINC000072352976 176374357 /nfs/dbraw/zinc/37/43/57/176374357.db2.gz ZBKJARRUDTWKMB-MRXNPFEDSA-N 0 3 281.359 2.614 40 0 CFABHN OCCN1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072357529 176376291 /nfs/dbraw/zinc/37/62/91/176376291.db2.gz DLBQDWBPKURZGD-UHFFFAOYSA-N 0 3 296.414 2.844 40 0 CFABHN COc1ccccc1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000072359272 176376699 /nfs/dbraw/zinc/37/66/99/176376699.db2.gz HFSDQNBLZIXDMW-ZDUSSCGKSA-N 0 3 283.375 2.961 40 0 CFABHN COc1cccc(-c2cncc(C3CCN(C)CC3)n2)c1 ZINC000072359274 176376908 /nfs/dbraw/zinc/37/69/08/176376908.db2.gz ZQAQIVLFQYCAJU-UHFFFAOYSA-N 0 3 283.375 2.961 40 0 CFABHN Cc1cccc([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000072364282 176378629 /nfs/dbraw/zinc/37/86/29/176378629.db2.gz LRFJBPVFYSGYLY-OAHLLOKOSA-N 0 3 270.380 2.503 40 0 CFABHN Cc1cccc([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000072364283 176379147 /nfs/dbraw/zinc/37/91/47/176379147.db2.gz LRFJBPVFYSGYLY-HNNXBMFYSA-N 0 3 270.380 2.503 40 0 CFABHN c1cc(CN2CCC[C@@H](c3cnccn3)C2)cs1 ZINC000072369369 176384366 /nfs/dbraw/zinc/38/43/66/176384366.db2.gz XESIHCYDBXUAQB-CYBMUJFWSA-N 0 3 259.378 2.918 40 0 CFABHN CCc1nccn1-c1cccc([C@@H]2CCCN(C)C2)n1 ZINC000072379099 176385963 /nfs/dbraw/zinc/38/59/63/176385963.db2.gz MBVWYFWVKYTOOA-CYBMUJFWSA-N 0 3 270.380 2.639 40 0 CFABHN c1cncc(C[C@H]2CCCN(Cc3ccncc3)C2)c1 ZINC000072385026 176389140 /nfs/dbraw/zinc/38/91/40/176389140.db2.gz DXCRRMMNHZAMCW-QGZVFWFLSA-N 0 3 267.376 2.931 40 0 CFABHN Fc1cccc(CN2CCC[C@@H](c3cnccn3)C2)c1 ZINC000072385354 176390078 /nfs/dbraw/zinc/39/00/78/176390078.db2.gz RDZQHGQUPUKDDD-CQSZACIVSA-N 0 3 271.339 2.995 40 0 CFABHN Cc1c[nH]nc1[C@]1(C)CCCN(Cc2cccnc2)C1 ZINC000072388725 176393977 /nfs/dbraw/zinc/39/39/77/176393977.db2.gz ZHWULGCUEDKVID-MRXNPFEDSA-N 0 3 270.380 2.667 40 0 CFABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1Cl)C1CC1 ZINC000079420660 177487946 /nfs/dbraw/zinc/48/79/46/177487946.db2.gz ALSBPJFJVDFNLN-AWEZNQCLSA-N 0 3 280.799 2.814 40 0 CFABHN Brc1cccc([C@@H]2CN(C3CC3)CCN2)c1 ZINC000056894806 275373438 /nfs/dbraw/zinc/37/34/38/275373438.db2.gz FEJXCZBOTAVTHF-ZDUSSCGKSA-N 0 3 281.197 2.558 40 0 CFABHN CN1CCC[C@@H]1c1ccnc(N2C(=O)OCC2(C)C)c1 ZINC000257203540 277066204 /nfs/dbraw/zinc/06/62/04/277066204.db2.gz AQNCAXRJOCLMPH-GFCCVEGCSA-N 0 3 275.352 2.584 40 0 CFABHN COC(=O)[C@@H]1CCCN(C)[C@H]1c1c[nH]c2ccccc21 ZINC000001708687 277085549 /nfs/dbraw/zinc/08/55/49/277085549.db2.gz BZTAQJYULZMZGD-IUODEOHRSA-N 0 3 272.348 2.724 40 0 CFABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(C)C)C[C@H]12 ZINC000107260343 278053320 /nfs/dbraw/zinc/05/33/20/278053320.db2.gz NPAMZSABRLNJPF-ZWKOTPCHSA-N 0 3 286.419 2.659 40 0 CFABHN C[C@@H]1CN([C@@H](CN)c2c(F)cccc2Cl)C[C@H](C)O1 ZINC000022222622 297069129 /nfs/dbraw/zinc/06/91/29/297069129.db2.gz WWWMEEMLFPNBKO-CWSCBRNRSA-N 0 3 286.778 2.588 40 0 CFABHN COc1ccc([C@H]2NCC[C@@]3(O)CCCC[C@H]23)cc1 ZINC000004837178 295251046 /nfs/dbraw/zinc/25/10/46/295251046.db2.gz PCTOTSPQXJTUKT-OAGGEKHMSA-N 0 3 261.365 2.651 40 0 CFABHN CC[C@@H]1N(Cc2ccc(C)o2)CCC[C@]12CCC(=O)N2 ZINC000096038492 185069374 /nfs/dbraw/zinc/06/93/74/185069374.db2.gz ZSLHLGOIRXXZPC-HOCLYGCPSA-N 0 3 276.380 2.611 40 0 CFABHN c1nn(CC2CCCC2)c2c1CNC[C@@H]2COCC1CC1 ZINC000096044749 185071610 /nfs/dbraw/zinc/07/16/10/185071610.db2.gz XFSJRDZNCGFOSA-MRXNPFEDSA-N 0 3 289.423 2.687 40 0 CFABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccccc1 ZINC000096053576 185074610 /nfs/dbraw/zinc/07/46/10/185074610.db2.gz GBXOLJUGJKBEIV-HOCLYGCPSA-N 0 3 298.411 2.843 40 0 CFABHN CCN1C(=O)CCC[C@@]12CCCN(Cc1ccco1)C2 ZINC000096077051 185088952 /nfs/dbraw/zinc/08/89/52/185088952.db2.gz PLPNAXTTYDEWMT-INIZCTEOSA-N 0 3 276.380 2.647 40 0 CFABHN COC[C@@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096106257 185098923 /nfs/dbraw/zinc/09/89/23/185098923.db2.gz FTIPOCJYFJVOPF-OAHLLOKOSA-N 0 3 293.407 2.853 40 0 CFABHN OC[C@H]1CCCCN1Cc1ccc2cc(F)ccc2n1 ZINC000096836632 185116281 /nfs/dbraw/zinc/11/62/81/185116281.db2.gz CJAOTCVCYAFVRE-OAHLLOKOSA-N 0 3 274.339 2.721 40 0 CFABHN COc1ccc(CC(=O)c2ccc(CN)cc2)cc1 ZINC000098180727 185699400 /nfs/dbraw/zinc/69/94/00/185699400.db2.gz JVLWBFIYUUJOCO-UHFFFAOYSA-N 0 3 255.317 2.579 40 0 CFABHN CNCC(=O)Nc1ccccc1Sc1ccccc1 ZINC000016477851 372106765 /nfs/dbraw/zinc/10/67/65/372106765.db2.gz HREQVXSLMZCMNY-UHFFFAOYSA-N 0 3 272.373 2.996 40 0 CFABHN CN(C)CCNC(=S)Nc1ccc(C(F)(F)F)cc1 ZINC000016237503 372103574 /nfs/dbraw/zinc/10/35/74/372103574.db2.gz NSPRNDMBFPHRQA-UHFFFAOYSA-N 0 3 291.342 2.553 40 0 CFABHN Cn1cncc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019291834 372154156 /nfs/dbraw/zinc/15/41/56/372154156.db2.gz JJRFXNCHBIWKFJ-AWEZNQCLSA-N 0 3 295.390 2.676 40 0 CFABHN O[C@H]1CCCN(Cc2c3cccnc3[nH]c2-c2ccco2)C1 ZINC000019345217 372156167 /nfs/dbraw/zinc/15/61/67/372156167.db2.gz KREMQPAXYZWGNZ-LBPRGKRZSA-N 0 3 297.358 2.780 40 0 CFABHN Cc1ccc([C@H](CN)NC(=O)OC(C)(C)C)cc1 ZINC000019421198 372163351 /nfs/dbraw/zinc/16/33/51/372163351.db2.gz DOGRNNXCMUAJLF-LBPRGKRZSA-N 0 3 250.342 2.520 40 0 CFABHN CC1CCN(Cc2ccnc(-c3cccnc3)n2)CC1 ZINC000019496925 372170680 /nfs/dbraw/zinc/17/06/80/372170680.db2.gz AJNGXTRFJZPTFX-UHFFFAOYSA-N 0 3 268.364 2.771 40 0 CFABHN Cc1[nH]c2cccc(C(=O)N[C@@H]3CCCN(C)C3)c2c1C ZINC000019576793 372175592 /nfs/dbraw/zinc/17/55/92/372175592.db2.gz XYNIXGMAKLFSDQ-CYBMUJFWSA-N 0 3 285.391 2.609 40 0 CFABHN COc1cccc(-c2nc3sccn3c2CN)c1 ZINC000019767671 372183812 /nfs/dbraw/zinc/18/38/12/372183812.db2.gz FVSOABQLGOHVAE-UHFFFAOYSA-N 0 3 259.334 2.530 40 0 CFABHN c1coc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 ZINC000019842518 372197562 /nfs/dbraw/zinc/19/75/62/372197562.db2.gz MPUJOCXZNNCUCE-OWCLPIDISA-N 0 3 272.392 2.609 40 0 CFABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)cc1Cl ZINC000037804996 372717043 /nfs/dbraw/zinc/71/70/43/372717043.db2.gz FMDQGLHBADGFLM-LBPRGKRZSA-N 0 3 289.206 2.935 40 0 CFABHN CC(C)N1CC[C@H](c2nnc(Cc3ccccc3)o2)C1 ZINC000049169870 373273396 /nfs/dbraw/zinc/27/33/96/373273396.db2.gz IBVGSFOCMFNIEX-AWEZNQCLSA-N 0 3 271.364 2.858 40 0 biogenic,in-vitro CFABHN CCCNC(=O)NCc1ccccc1CN1CCCCC1 ZINC000052816763 373450175 /nfs/dbraw/zinc/45/01/75/373450175.db2.gz NPIHFTLPSNKURP-UHFFFAOYSA-N 0 3 289.423 2.882 40 0 CFABHN CN1CCC(NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000060313759 373691216 /nfs/dbraw/zinc/69/12/16/373691216.db2.gz XSESMJQVQFWHIO-UHFFFAOYSA-N 0 3 286.297 2.529 40 0 CFABHN CN1CCC[C@]2(CCN(C(=O)CCc3ccccc3)C2)C1 ZINC000063527646 373809795 /nfs/dbraw/zinc/80/97/95/373809795.db2.gz QQIQCYVVOWTDFJ-SFHVURJKSA-N 0 3 286.419 2.564 40 0 CFABHN CC[C@H](C)Oc1ccccc1CNCCCOC ZINC000066116245 373911416 /nfs/dbraw/zinc/91/14/16/373911416.db2.gz JYGPZPKUTKBRIE-ZDUSSCGKSA-N 0 3 251.370 2.990 40 0 CFABHN Cc1cc(C)cc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074920989 374447673 /nfs/dbraw/zinc/44/76/73/374447673.db2.gz IMZFUMOZFSJZJP-UHFFFAOYSA-N 0 3 260.381 2.974 40 0 CFABHN CN1CCC(CC(=O)NC2CCCCCC2)CC1 ZINC000074920970 374447777 /nfs/dbraw/zinc/44/77/77/374447777.db2.gz GUOHYRHDNWCPOQ-UHFFFAOYSA-N 0 3 252.402 2.557 40 0 CFABHN c1csc(CN2CC[C@H]3[C@H]2CCN3Cc2ccccn2)c1 ZINC000096184714 375474975 /nfs/dbraw/zinc/47/49/75/375474975.db2.gz SQXAABCDTHDXMR-DLBZAZTESA-N 0 3 299.443 2.992 40 0 CFABHN Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3c2ccccn2)o1 ZINC000096184672 375475525 /nfs/dbraw/zinc/47/55/25/375475525.db2.gz VPCZYPOITCIRHR-JKSUJKDBSA-N 0 3 283.375 2.836 40 0 CFABHN CCn1nc(C)c(CNCCc2ccccc2)c1F ZINC000256050734 190002942 /nfs/dbraw/zinc/00/29/42/190002942.db2.gz GHHRGVKTZXRYLG-UHFFFAOYSA-N 0 3 261.344 2.683 40 0 CFABHN Nc1nccnc1C[C@H]1CCCN(Cc2ccsc2)C1 ZINC000257212044 190013332 /nfs/dbraw/zinc/01/33/32/190013332.db2.gz CBRRADULQKEIBW-GFCCVEGCSA-N 0 3 288.420 2.575 40 0 CFABHN Cc1cnc(-c2cc(C)nc([C@H]3CCCN3)n2)s1 ZINC000257234551 190016925 /nfs/dbraw/zinc/01/69/25/190016925.db2.gz GUCPBFAEUXEBGV-SNVBAGLBSA-N 0 3 260.366 2.641 40 0 CFABHN COc1ccccc1[C@@H]1CNCCN1Cc1ncccc1C ZINC000257222964 190014944 /nfs/dbraw/zinc/01/49/44/190014944.db2.gz DVHYQTYFYMUPKW-KRWDZBQOSA-N 0 3 297.402 2.545 40 0 CFABHN c1ncc(CN2CCC[C@@H](c3ccc4c[nH]nc4n3)C2)s1 ZINC000257225987 190015250 /nfs/dbraw/zinc/01/52/50/190015250.db2.gz FIRPCAKKYLDENM-GFCCVEGCSA-N 0 3 299.403 2.794 40 0 CFABHN Cc1cn(-c2ccnc([C@@H]3CCCN(C)C3)c2)c(C)n1 ZINC000257264945 190023024 /nfs/dbraw/zinc/02/30/24/190023024.db2.gz LWPYRBNOOSZBOH-CQSZACIVSA-N 0 3 270.380 2.693 40 0 CFABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cncs2)C1 ZINC000257256633 190021881 /nfs/dbraw/zinc/02/18/81/190021881.db2.gz KMHBASGLGUWOCX-LLVKDONJSA-N 0 3 262.382 2.554 40 0 CFABHN CCc1nccn1-c1ccnc([C@H]2CCCN(C)C2)c1 ZINC000257279465 190025262 /nfs/dbraw/zinc/02/52/62/190025262.db2.gz OGTZMKWMMWYSOL-ZDUSSCGKSA-N 0 3 270.380 2.639 40 0 CFABHN CNc1ncccc1CN1CCC(Cc2ccncc2)CC1 ZINC000257289860 190027882 /nfs/dbraw/zinc/02/78/82/190027882.db2.gz QAMQTLDRIVVOLC-UHFFFAOYSA-N 0 3 296.418 2.973 40 0 CFABHN Cc1ncsc1CN1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257296897 190028646 /nfs/dbraw/zinc/02/86/46/190028646.db2.gz REWUFBULRWJFAF-LBPRGKRZSA-N 0 3 276.409 2.629 40 0 CFABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000257304343 190030469 /nfs/dbraw/zinc/03/04/69/190030469.db2.gz SLEHMXAMPLHXOZ-AWEZNQCLSA-N 0 3 270.380 2.568 40 0 CFABHN CC(C)n1cc(-c2cncc(C3CCN(C)CC3)n2)cn1 ZINC000257306581 190030964 /nfs/dbraw/zinc/03/09/64/190030964.db2.gz SUXMSOSUHXCODL-UHFFFAOYSA-N 0 3 285.395 2.730 40 0 CFABHN c1cc(CN2CCC[C@H](c3ccncn3)C2)cs1 ZINC000257322041 190033830 /nfs/dbraw/zinc/03/38/30/190033830.db2.gz WEIVEACUPAFQOX-ZDUSSCGKSA-N 0 3 259.378 2.918 40 0 CFABHN Cn1nc(C2CCCCC2)cc1NC(=O)[C@@H](N)C1CCC1 ZINC000333876583 378871117 /nfs/dbraw/zinc/87/11/17/378871117.db2.gz VKRKOFIUUWIAKA-HNNXBMFYSA-N 0 3 290.411 2.534 40 0 CFABHN COc1ccc([C@@H]2CC(N)=NN2c2ccccc2)cc1OC ZINC000222549111 382802464 /nfs/dbraw/zinc/80/24/64/382802464.db2.gz YKYCLESUBKQYHM-AWEZNQCLSA-N 0 3 297.358 2.927 40 0 CFABHN Cc1ccc(C(=O)NCCN2CCCCCC2)c(C)c1 ZINC000225056518 382812804 /nfs/dbraw/zinc/81/28/04/382812804.db2.gz XWNORJSUTHHLHK-UHFFFAOYSA-N 0 3 274.408 2.909 40 0 CFABHN c1cc(CO[C@@H]2CSC3(CN(CC4CC4)C3)C2)ccn1 ZINC000253590607 383464163 /nfs/dbraw/zinc/46/41/63/383464163.db2.gz CJWBNEKEUNTDGZ-HNNXBMFYSA-N 0 3 290.432 2.568 40 0 CFABHN COCc1ccc(CN2CC[C@@]3(O)CCCC[C@H]3C2)o1 ZINC000245227797 131084214 /nfs/dbraw/zinc/08/42/14/131084214.db2.gz VNYDKHHKVGBFDB-BBRMVZONSA-N 0 3 279.380 2.553 40 0 CFABHN CCC(=O)N1N=C2[C@@H]([C@@H]1c1ccco1)[C@H](C)N(C)C[C@@H]2C ZINC000004724370 393459109 /nfs/dbraw/zinc/45/91/09/393459109.db2.gz URLGZASRDBGECB-KHJVZFFJSA-N 0 3 289.379 2.515 40 0 CFABHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccnc2)C1 ZINC000043324834 393559632 /nfs/dbraw/zinc/55/96/32/393559632.db2.gz JXBUOGOUJLTBTC-CQSZACIVSA-N 0 3 291.395 2.571 40 0 CFABHN CCOC(=O)C[C@H](c1ccc(Cl)cc1)N(C)C ZINC000072210293 393643333 /nfs/dbraw/zinc/64/33/33/393643333.db2.gz APYAFRLXOILQIV-GFCCVEGCSA-N 0 3 255.745 2.896 40 0 CFABHN CCOC(=O)C[C@@H](c1ccc(Cl)cc1)N(C)C ZINC000072210292 393643366 /nfs/dbraw/zinc/64/33/66/393643366.db2.gz APYAFRLXOILQIV-LBPRGKRZSA-N 0 3 255.745 2.896 40 0 CFABHN CC/C=C\[C@](O)(C(=O)OC1CCN(C)CC1)C1CCCC1 ZINC000005954604 170162179 /nfs/dbraw/zinc/16/21/79/170162179.db2.gz KZQMQKXFKZZRSP-IAQFLPNQSA-N 0 3 295.423 2.511 40 0 CFABHN CC1CCN(C[C@H](O)COc2ccccc2Cl)CC1 ZINC000006308206 170189858 /nfs/dbraw/zinc/18/98/58/170189858.db2.gz AMIYIGFMENZNOQ-ZDUSSCGKSA-N 0 3 283.799 2.812 40 0 CFABHN O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2ccccc2F)C1 ZINC000006678344 170225364 /nfs/dbraw/zinc/22/53/64/170225364.db2.gz JFDKUIJZUVMRDX-HIFRSBDPSA-N 0 3 298.361 2.607 40 0 CFABHN CN1CCC[C@@H](CNC(=O)Nc2cccc(Cl)c2)C1 ZINC000009876590 170388450 /nfs/dbraw/zinc/38/84/50/170388450.db2.gz NQCWEVMXQLOYNU-NSHDSACASA-N 0 3 281.787 2.803 40 0 CFABHN NCc1cc(-c2ccc(Cl)cc2Cl)ncn1 ZINC000020384106 171175461 /nfs/dbraw/zinc/17/54/61/171175461.db2.gz OBHVWOBOHMJFFP-UHFFFAOYSA-N 0 3 254.120 2.909 40 0 CFABHN O=c1[nH]c2ccccc2n1CCCNCc1cccs1 ZINC000035312426 172122724 /nfs/dbraw/zinc/12/27/24/172122724.db2.gz HNYBJGCUTRKIQW-UHFFFAOYSA-N 0 3 287.388 2.571 40 0 CFABHN c1ccc2[nH]c([C@H]3CCN(Cc4ccncc4)C3)nc2c1 ZINC000035446651 172203405 /nfs/dbraw/zinc/20/34/05/172203405.db2.gz XBAFBMRGRCZMLD-AWEZNQCLSA-N 0 3 278.359 2.947 40 0 biogenic,in-vitro CFABHN CC(C)[N@@H+]1CCC[C@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000072354316 176374797 /nfs/dbraw/zinc/37/47/97/176374797.db2.gz CUCCEJQOJYACKK-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)[N@H+]1CCC[C@H](c2cncc([N-]c3ncccn3)n2)C1 ZINC000072354316 176374799 /nfs/dbraw/zinc/37/47/99/176374799.db2.gz CUCCEJQOJYACKK-ZDUSSCGKSA-N 0 3 298.394 2.598 40 0 CFABHN CC(C)N1CCC[C@H](Cc2nccnc2Cl)C1 ZINC000072363355 176377626 /nfs/dbraw/zinc/37/76/26/176377626.db2.gz IQHSSJVBLOQEJV-LLVKDONJSA-N 0 3 253.777 2.793 40 0 CFABHN CN1CCC[C@@H](Cc2cnc(-c3ccc(CO)cc3)cn2)C1 ZINC000072365263 176380665 /nfs/dbraw/zinc/38/06/65/176380665.db2.gz GTQXTCIHWSGOOJ-HNNXBMFYSA-N 0 3 297.402 2.520 40 0 CFABHN Cc1cnc(Nc2nccnc2C2CCN(C)CC2)s1 ZINC000072365547 176380702 /nfs/dbraw/zinc/38/07/02/176380702.db2.gz PJNOSISVEPEZDV-UHFFFAOYSA-N 0 3 289.408 2.794 40 0 CFABHN Cc1nccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072369478 176384423 /nfs/dbraw/zinc/38/44/23/176384423.db2.gz MQDZBPXMTMECMO-UHFFFAOYSA-N 0 3 268.364 2.560 40 0 CFABHN Fc1ccccc1CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000072384960 176388840 /nfs/dbraw/zinc/38/88/40/176388840.db2.gz ZOUJGORIBRJOIA-ZDUSSCGKSA-N 0 3 259.328 2.928 40 0 CFABHN Cc1cc(C)nc(NCCNC/C=C/c2ccccc2)n1 ZINC000062717855 262303829 /nfs/dbraw/zinc/30/38/29/262303829.db2.gz SDQQGMMHMRBXJY-RMKNXTFCSA-N 0 3 282.391 2.808 40 0 CFABHN O=C1OCCC2(CCN(Cc3ccccc3)CC2)O1 ZINC000001716920 280306066 /nfs/dbraw/zinc/30/60/66/280306066.db2.gz CKAOLORUGCLEDY-UHFFFAOYSA-N 0 3 261.321 2.578 40 0 CFABHN