smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(SCCCN(C)Cc2cnn(C)c2)cc1 ZINC001506421587 937990058 /nfs/dbraw/zinc/99/00/58/937990058.db2.gz QZUMNHQRKGPXBG-UHFFFAOYSA-N 0 3 289.448 3.343 50 0 CGAAHN CC(C)(O)[C@H]1CCCN1Cc1cccc(Br)c1 ZINC000095995358 185060441 /nfs/dbraw/zinc/06/04/41/185060441.db2.gz QCZPHPVHKVDDBE-CYBMUJFWSA-N 0 3 298.224 3.184 50 0 CGAAHN Cc1nc(C)c(CN[C@@H](C)C[C@H](O)c2cccs2)s1 ZINC000097022843 185153557 /nfs/dbraw/zinc/15/35/57/185153557.db2.gz YPNKGURDQRSSJX-CABZTGNLSA-N 0 3 296.461 3.423 50 0 CGAAHN O[C@@H](CN[C@@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000097033248 185156546 /nfs/dbraw/zinc/15/65/46/185156546.db2.gz AAJGXXSNWOEAMZ-CABCVRRESA-N 0 3 275.323 3.119 50 0 CGAAHN Cc1cc(C)cc(OCCOCCN2CCCCC2)c1 ZINC000016666907 344887164 /nfs/dbraw/zinc/88/71/64/344887164.db2.gz ZHMRICDOPIOJCB-UHFFFAOYSA-N 0 3 277.408 3.185 50 0 CGAAHN CN(C)CCN(C)Cc1ccccc1Cc1ccccc1 ZINC000075373214 345504709 /nfs/dbraw/zinc/50/47/09/345504709.db2.gz BOMNLPSALZVXTF-UHFFFAOYSA-N 0 3 282.431 3.271 50 0 CGAAHN CCC[C@](C)(CO)NCc1c(F)cccc1N1CCCC1 ZINC000076017850 345530905 /nfs/dbraw/zinc/53/09/05/345530905.db2.gz XVUYVICYASQODQ-QGZVFWFLSA-N 0 3 294.414 3.067 50 0 CGAAHN Cc1cc(C)cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000095956255 345901181 /nfs/dbraw/zinc/90/11/81/345901181.db2.gz TUDGRQHMPDWOQJ-MRXNPFEDSA-N 0 3 282.387 3.159 50 0 CGAAHN Cc1csc([C@H](N[C@@H]2CCCSC2)C2CC2)n1 ZINC000097370838 345908064 /nfs/dbraw/zinc/90/80/64/345908064.db2.gz CDWCYHUSUNAEEP-VXGBXAGGSA-N 0 3 268.451 3.388 50 0 CGAAHN Cc1nc(C(F)(F)F)ncc1CN1CCC[C@H](C)CC1 ZINC000584889131 346722444 /nfs/dbraw/zinc/72/24/44/346722444.db2.gz QXGNBWOJMUFOSS-JTQLQIEISA-N 0 3 287.329 3.426 50 0 CGAAHN Cc1ccc([C@H](C)CN[C@H](c2nncn2C)C(C)C)cc1 ZINC000628271867 350473256 /nfs/dbraw/zinc/47/32/56/350473256.db2.gz UDTKFWKYAADXQW-ZBFHGGJFSA-N 0 3 286.423 3.214 50 0 CGAAHN CC[C@H](N[C@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000108328776 186210833 /nfs/dbraw/zinc/21/08/33/186210833.db2.gz AGBAYERCPNQLQL-OAUYIBNBSA-N 0 3 290.407 3.253 50 0 CGAAHN CS[C@@H]1CCC[C@@H]1N(C)Cc1c(C)noc1C ZINC000110642467 186308308 /nfs/dbraw/zinc/30/83/08/186308308.db2.gz CPKVBTLGXYSVEX-QWHCGFSZSA-N 0 3 254.399 3.007 50 0 CGAAHN CCOC(=O)C[C@@H](N)c1cccc(OCc2ccccc2)c1 ZINC000002582522 169813758 /nfs/dbraw/zinc/81/37/58/169813758.db2.gz TVWKLNXMDCBTOL-QGZVFWFLSA-N 0 3 299.370 3.219 50 0 CGAAHN C[C@@H](c1nc(-c2ccsn2)no1)N1[C@H](C)CC[C@H]1C ZINC000297159715 200101609 /nfs/dbraw/zinc/10/16/09/200101609.db2.gz CUVLBEHHUBOABO-BBBLOLIVSA-N 0 3 278.381 3.127 50 0 CGAAHN C[C@H](c1nc(-c2ccsn2)no1)N1[C@H](C)CC[C@@H]1C ZINC000297161498 200102160 /nfs/dbraw/zinc/10/21/60/200102160.db2.gz CUVLBEHHUBOABO-KXUCPTDWSA-N 0 3 278.381 3.127 50 0 CGAAHN CC(=O)c1ccc(N2CCN([C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000000216044 368317753 /nfs/dbraw/zinc/31/77/53/368317753.db2.gz NTYODQYQJPKUBJ-KSSFIOAISA-N 0 3 286.419 3.200 50 0 CGAAHN CN(C)CCN(Cc1ccccc1)c1ccccc1 ZINC000000001425 368269741 /nfs/dbraw/zinc/26/97/41/368269741.db2.gz CHOBRHHOYQKCOU-UHFFFAOYSA-N 0 3 254.377 3.255 50 0 in-vitro CGAAHN CSc1ccc(CN(CCO)Cc2ccccc2)cc1 ZINC000000183244 368310529 /nfs/dbraw/zinc/31/05/29/368310529.db2.gz ULZXYSVZJNDDQX-UHFFFAOYSA-N 0 3 287.428 3.403 50 0 CGAAHN CN(Cc1c(F)cccc1Cl)C1CCN(C)CC1 ZINC000000278862 368331947 /nfs/dbraw/zinc/33/19/47/368331947.db2.gz KYCXLDNIRPXWKB-UHFFFAOYSA-N 0 3 270.779 3.005 50 0 CGAAHN C[C@H](CN1CCCCC1)OC(=O)c1cc2ccccc2o1 ZINC000000375723 368351369 /nfs/dbraw/zinc/35/13/69/368351369.db2.gz OWDXBQVUGZSYIG-CYBMUJFWSA-N 0 3 287.359 3.464 50 0 CGAAHN CC(C)COC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000000406729 368360398 /nfs/dbraw/zinc/36/03/98/368360398.db2.gz ZKYSDIOVNQWUHG-UHFFFAOYSA-N 0 3 290.407 3.033 50 0 CGAAHN Cc1ccc(CSc2nnc([C@H]3CCCN3)o2)cc1 ZINC000001269709 368405563 /nfs/dbraw/zinc/40/55/63/368405563.db2.gz XQMUDLCVHAHUPM-GFCCVEGCSA-N 0 3 275.377 3.095 50 0 CGAAHN CCCCNCc1cc(OC)c(OC)cc1Cl ZINC000002846177 368481191 /nfs/dbraw/zinc/48/11/91/368481191.db2.gz QINDPNVVKKSYNC-UHFFFAOYSA-N 0 3 257.761 3.247 50 0 CGAAHN Cc1cccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2C)c1 ZINC000003395555 368505919 /nfs/dbraw/zinc/50/59/19/368505919.db2.gz HZLNHHAVICFFEX-IRXDYDNUSA-N 0 3 299.414 3.394 50 0 CGAAHN OCCNCc1ccc(OCc2ccccc2)c(Cl)c1 ZINC000010473826 368582314 /nfs/dbraw/zinc/58/23/14/368582314.db2.gz RLVCLVHHHMWYER-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN CCCCN(C)C(=O)C1CCN(Cc2ccccc2)CC1 ZINC000012629039 368622495 /nfs/dbraw/zinc/62/24/95/368622495.db2.gz SFMQGLFAAKGSSQ-UHFFFAOYSA-N 0 3 288.435 3.157 50 0 CGAAHN O=C1CCCN1c1ccc(CNCc2ccsc2)cc1 ZINC000014115767 368675340 /nfs/dbraw/zinc/67/53/40/368675340.db2.gz VHDUOUSHDNMJQN-UHFFFAOYSA-N 0 3 286.400 3.165 50 0 CGAAHN Cc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000019789273 368765566 /nfs/dbraw/zinc/76/55/66/368765566.db2.gz XKOYXLLPZQPTCQ-UHFFFAOYSA-N 0 3 258.409 3.055 50 0 CGAAHN CCc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019851293 368773979 /nfs/dbraw/zinc/77/39/79/368773979.db2.gz HPXMZHVUYMNKKH-UHFFFAOYSA-N 0 3 272.436 3.309 50 0 CGAAHN CSc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019359606 368750249 /nfs/dbraw/zinc/75/02/49/368750249.db2.gz IGJFBXLPAGCGGP-UHFFFAOYSA-N 0 3 290.476 3.469 50 0 CGAAHN Cc1cc(OCCCN2CCN(C)CC2)cc(C(C)C)c1 ZINC000020118730 368804245 /nfs/dbraw/zinc/80/42/45/368804245.db2.gz HOLIXGUAGMUISS-UHFFFAOYSA-N 0 3 290.451 3.135 50 0 CGAAHN c1cnn(-c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000024574401 368833251 /nfs/dbraw/zinc/83/32/51/368833251.db2.gz IZWOSEWXUDAYDH-UHFFFAOYSA-N 0 3 289.382 3.431 50 0 CGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cccc(O)c1 ZINC000020033347 368794378 /nfs/dbraw/zinc/79/43/78/368794378.db2.gz BPHFSKBWRHOQHL-QGZVFWFLSA-N 0 3 294.354 3.117 50 0 biogenic CGAAHN c1n[nH]cc1-c1ccc(CNCc2ccccc2)cc1 ZINC000032519396 368933711 /nfs/dbraw/zinc/93/37/11/368933711.db2.gz AYYOWMIPZMEYNQ-UHFFFAOYSA-N 0 3 263.344 3.367 50 0 CGAAHN CSC[C@H](C)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000032523718 368934031 /nfs/dbraw/zinc/93/40/31/368934031.db2.gz CZDBRLYWNRXTNG-DZGCQCFKSA-N 0 3 277.433 3.333 50 0 CGAAHN FC(F)Oc1ccccc1CNC1CCSCC1 ZINC000035120981 368997993 /nfs/dbraw/zinc/99/79/93/368997993.db2.gz LPDSTSDIOQNVHT-UHFFFAOYSA-N 0 3 273.348 3.273 50 0 CGAAHN CCC[C@@H](O)CN(CCC)Cc1cccc(OC)c1OC ZINC000036097231 369008798 /nfs/dbraw/zinc/00/87/98/369008798.db2.gz IFAMTNLASXFDKY-OAHLLOKOSA-N 0 3 295.423 3.077 50 0 CGAAHN CN1CCC(Nc2ccccc2OCC(F)(F)F)CC1 ZINC000036981328 369045189 /nfs/dbraw/zinc/04/51/89/369045189.db2.gz KMZSEPKCGRMJMU-UHFFFAOYSA-N 0 3 288.313 3.134 50 0 CGAAHN CCS[C@@H]1CC[C@@H](N[C@@H](C)c2nccnc2C)C1 ZINC000219171278 376197085 /nfs/dbraw/zinc/19/70/85/376197085.db2.gz KJEWUVXLQZGSCP-YNEHKIRRSA-N 0 3 265.426 3.110 50 0 CGAAHN C[C@H]1CN(c2ccccc2)CCN1Cc1cccs1 ZINC000065421575 369675266 /nfs/dbraw/zinc/67/52/66/369675266.db2.gz QLPFDPQDJQECNS-AWEZNQCLSA-N 0 3 272.417 3.459 50 0 CGAAHN OCC1CCN(Cc2csc3ccccc23)CC1 ZINC000066421660 369693924 /nfs/dbraw/zinc/69/39/24/369693924.db2.gz WKVIWIQBSIAZNO-UHFFFAOYSA-N 0 3 261.390 3.106 50 0 CGAAHN Cc1nc[nH]c1CN1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000067894763 369735674 /nfs/dbraw/zinc/73/56/74/369735674.db2.gz SWJOLOJJQABUGF-CYBMUJFWSA-N 0 3 296.374 3.239 50 0 CGAAHN Cc1ccccc1[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072429423 369820737 /nfs/dbraw/zinc/82/07/37/369820737.db2.gz MNEYRZZBKFQNMG-INIZCTEOSA-N 0 3 269.392 3.108 50 0 CGAAHN CS[C@H]1CC[C@@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000075921283 369922014 /nfs/dbraw/zinc/92/20/14/369922014.db2.gz ZKWKUCCKOHWCBC-NEPJUHHUSA-N 0 3 270.829 3.451 50 0 CGAAHN CC[N@H+](CC1CCOCC1)[C@@H](C)c1cccc([O-])c1 ZINC000080932218 369992022 /nfs/dbraw/zinc/99/20/22/369992022.db2.gz ZCSGTTHJRTYDEJ-ZDUSSCGKSA-N 0 3 263.381 3.202 50 0 CGAAHN CC[N@@H+](CC1CCOCC1)[C@@H](C)c1cccc([O-])c1 ZINC000080932218 369992027 /nfs/dbraw/zinc/99/20/27/369992027.db2.gz ZCSGTTHJRTYDEJ-ZDUSSCGKSA-N 0 3 263.381 3.202 50 0 CGAAHN C/C(=C/c1ccccc1)CN1CCC(n2cncn2)CC1 ZINC000092647950 370100043 /nfs/dbraw/zinc/10/00/43/370100043.db2.gz HLGVIBIKGVHBAX-PTNGSMBKSA-N 0 3 282.391 3.019 50 0 CGAAHN C[C@@H](CN(C)Cc1ccc(CO)o1)c1ccccc1 ZINC000093008971 370105246 /nfs/dbraw/zinc/10/52/46/370105246.db2.gz XLIUZENKDPCIRR-ZDUSSCGKSA-N 0 3 259.349 3.007 50 0 CGAAHN Cc1ccnc(NC[C@@H]2CCCN(Cc3ccccc3)C2)n1 ZINC000095386124 370181357 /nfs/dbraw/zinc/18/13/57/370181357.db2.gz MWTJKDNEIIHITQ-KRWDZBQOSA-N 0 3 296.418 3.109 50 0 CGAAHN Cc1nccn1CCC1CCN(Cc2cccc(O)c2)CC1 ZINC000097468099 370242269 /nfs/dbraw/zinc/24/22/69/370242269.db2.gz ADUKPLSDRVAJGO-UHFFFAOYSA-N 0 3 299.418 3.199 50 0 CGAAHN CC(C)[C@@H]1CCC[C@H](NCc2nncn2C2CC2)CC1 ZINC000095434009 370192694 /nfs/dbraw/zinc/19/26/94/370192694.db2.gz YPKFWYZOYDRZBI-KGLIPLIRSA-N 0 3 276.428 3.308 50 0 CGAAHN Cc1ccc(NC(=O)N(C)[C@H]2CCN(C)C2)cc1C(C)C ZINC000095513028 370201013 /nfs/dbraw/zinc/20/10/13/370201013.db2.gz NHJUXSJGRPQIEI-HNNXBMFYSA-N 0 3 289.423 3.286 50 0 CGAAHN Cc1nnc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119054059 370638907 /nfs/dbraw/zinc/63/89/07/370638907.db2.gz MOPNOADIDKIPBU-IAGOWNOFSA-N 0 3 298.434 3.015 50 0 CGAAHN Cc1nc(-c2ccc([C@H](C)[NH+]3CCCC3)cc2)cc(=O)[n-]1 ZINC000426394531 372156018 /nfs/dbraw/zinc/15/60/18/372156018.db2.gz HIGKWRICZBGGFU-LBPRGKRZSA-N 0 3 283.375 3.314 50 0 CGAAHN C[C@@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)N(C)C ZINC000426445445 372159665 /nfs/dbraw/zinc/15/96/65/372159665.db2.gz FFBBODNNPKCIIZ-VIFPVBQESA-N 0 3 298.312 3.124 50 0 CGAAHN CC(=O)c1c(-c2cccc([C@@H](C)N3CCCC3)c2)cnn1C ZINC000426628302 372166212 /nfs/dbraw/zinc/16/62/12/372166212.db2.gz PCUILHFJVOZYFK-CYBMUJFWSA-N 0 3 297.402 3.447 50 0 CGAAHN Cc1ccc(CN2CCC(c3nncn3C(C)C)CC2)o1 ZINC000065287606 541888393 /nfs/dbraw/zinc/88/83/93/541888393.db2.gz BLEXRLLXRGRBAW-UHFFFAOYSA-N 0 3 288.395 3.140 50 0 CGAAHN Cc1c([C@H]2CCCN2Cc2ccc3c(c2)CCO3)cnn1C ZINC000091967477 541970671 /nfs/dbraw/zinc/97/06/71/541970671.db2.gz ORLOQCSVMNCCMZ-QGZVFWFLSA-N 0 3 297.402 3.001 50 0 CGAAHN C[C@H](NCc1nc2ccccc2n1C1CC1)C1CC1 ZINC000191494575 375635521 /nfs/dbraw/zinc/63/55/21/375635521.db2.gz FHOVOIUDPHHDGW-NSHDSACASA-N 0 3 255.365 3.259 50 0 CGAAHN C[C@@H]1CC(NCc2sccc2Cl)C[C@@H](C)O1 ZINC000193199459 375838805 /nfs/dbraw/zinc/83/88/05/375838805.db2.gz JMVPNOZEBIXYQU-RKDXNWHRSA-N 0 3 259.802 3.447 50 0 CGAAHN CC(=O)NCc1ccc(-c2ccc([C@@H](C)N(C)C)cc2)nc1 ZINC000215923313 376153669 /nfs/dbraw/zinc/15/36/69/376153669.db2.gz XWNXTDUZWUJMEY-CYBMUJFWSA-N 0 3 297.402 3.007 50 0 CGAAHN Cc1n[nH]c(C)c1CCCN(C)Cc1ccsc1 ZINC000216193504 376160649 /nfs/dbraw/zinc/16/06/49/376160649.db2.gz RAHCCCIEUJKJST-UHFFFAOYSA-N 0 3 263.410 3.153 50 0 CGAAHN Cc1ccc([C@@H]2CCCN2CCc2cccnc2)o1 ZINC000242273735 376781673 /nfs/dbraw/zinc/78/16/73/376781673.db2.gz YFNLAGSKNXOMNQ-HNNXBMFYSA-N 0 3 256.349 3.363 50 0 CGAAHN c1cc(CNC2CCC(c3ccccc3)CC2)no1 ZINC000148704235 542098331 /nfs/dbraw/zinc/09/83/31/542098331.db2.gz RFVONCXBOUVQSG-UHFFFAOYSA-N 0 3 256.349 3.491 50 0 CGAAHN COc1ccc([C@@H](CN(C)C)NCc2cccs2)cc1 ZINC000253416454 377692031 /nfs/dbraw/zinc/69/20/31/377692031.db2.gz DOIMPAVXGWRFRV-MRXNPFEDSA-N 0 3 290.432 3.149 50 0 CGAAHN Cn1cc([C@@H]2CCN(C/C=C\c3ccc(F)cc3)C2)cn1 ZINC000255839025 377780707 /nfs/dbraw/zinc/78/07/07/377780707.db2.gz DUKJZPWCENJNAN-MPNWYJEXSA-N 0 3 285.366 3.062 50 0 CGAAHN COc1cccc(CN[C@@H](C)Cc2ccc(O)cc2)c1F ZINC000192679660 542268552 /nfs/dbraw/zinc/26/85/52/542268552.db2.gz MTCHIXIZRVPTSO-LBPRGKRZSA-N 0 3 289.350 3.261 50 0 CGAAHN CCc1oc2ccccc2c1CN1CC[C@H](OC)C1 ZINC000353894664 220392754 /nfs/dbraw/zinc/39/27/54/220392754.db2.gz DYNHJSXOATZYCS-LBPRGKRZSA-N 0 3 259.349 3.216 50 0 CGAAHN FC1(F)CCN(C[C@@H]2CCOc3ccccc3C2)CC1 ZINC000095518170 392244047 /nfs/dbraw/zinc/24/40/47/392244047.db2.gz ZIRNFGZRKHOESK-CYBMUJFWSA-N 0 3 281.346 3.359 50 0 CGAAHN CCc1cccc(OCCN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193993298 392894188 /nfs/dbraw/zinc/89/41/88/392894188.db2.gz SWNCFSOBGKLSTI-MRXNPFEDSA-N 0 3 299.418 3.231 50 0 CGAAHN Cc1cc(C)cc(N2CCN(CC[C@H]3CC3(F)F)CC2)c1 ZINC000670452490 543155734 /nfs/dbraw/zinc/15/57/34/543155734.db2.gz WDDPVHWSJKZBHT-HNNXBMFYSA-N 0 3 294.389 3.471 50 0 CGAAHN Cc1nc(C)n(C[C@H]2CCCN2C/C=C\c2ccccc2)n1 ZINC000104065927 397649527 /nfs/dbraw/zinc/64/95/27/397649527.db2.gz PNJVWDDKLDQGLA-OEPRFQHASA-N 0 3 296.418 3.073 50 0 CGAAHN CCCOc1ccc(NC(=O)C2(N)CCCC2)cc1Cl ZINC000037768672 397608512 /nfs/dbraw/zinc/60/85/12/397608512.db2.gz IMKZHYJXITXLQX-UHFFFAOYSA-N 0 3 296.798 3.339 50 0 CGAAHN CN(C)Cc1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000045030514 397621315 /nfs/dbraw/zinc/62/13/15/397621315.db2.gz NERCDCHXKILMMO-UHFFFAOYSA-N 0 3 269.348 3.392 50 0 CGAAHN Cc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387629 287116014 /nfs/dbraw/zinc/11/60/14/287116014.db2.gz XDFSFNIDOISQPJ-QGZVFWFLSA-N 0 3 271.360 3.070 50 0 CGAAHN CN(C)CCNc1cc(-c2ccccn2)nc2ccccc21 ZINC000005569554 170114742 /nfs/dbraw/zinc/11/47/42/170114742.db2.gz PJDXPFLGVYXGMU-UHFFFAOYSA-N 0 3 292.386 3.270 50 0 CGAAHN CCOCCCNCc1ccc(-c2ccccc2)o1 ZINC000007524211 170288876 /nfs/dbraw/zinc/28/88/76/170288876.db2.gz BWIDEMHCZBZAQL-UHFFFAOYSA-N 0 3 259.349 3.463 50 0 CGAAHN Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN1CCCC1 ZINC000008700892 170346701 /nfs/dbraw/zinc/34/67/01/170346701.db2.gz STVDQGCZRYZCTO-UHFFFAOYSA-N 0 3 276.767 3.498 50 0 CGAAHN CCN(CC)Cc1c(C)[nH]c2c(C)cccc2c1=O ZINC000008700872 170346758 /nfs/dbraw/zinc/34/67/58/170346758.db2.gz HEGSXMGEJCEBNT-UHFFFAOYSA-N 0 3 258.365 3.399 50 0 CGAAHN C[C@@H](NC(=O)C[C@@H](N)c1ccccc1)c1cccs1 ZINC000035736807 172389796 /nfs/dbraw/zinc/38/97/96/172389796.db2.gz CRHCNUFSDTWGJL-DGCLKSJQSA-N 0 3 274.389 3.015 50 0 CGAAHN Cc1nc(CN[C@H]2CCc3ccccc3C2)cs1 ZINC000040418840 174257031 /nfs/dbraw/zinc/25/70/31/174257031.db2.gz URHBBIHCIGFIMQ-AWEZNQCLSA-N 0 3 258.390 3.099 50 0 CGAAHN C[C@H]1CCCCN1C1CN(Cc2ccnc3ccccc23)C1 ZINC000072167435 176331803 /nfs/dbraw/zinc/33/18/03/176331803.db2.gz JPIQRWVZXGDMEP-HNNXBMFYSA-N 0 3 295.430 3.293 50 0 CGAAHN Cc1csc2nc(C)c(CNCCc3ccsc3)n12 ZINC000048355047 416449467 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0 CGAAHN O[C@@H](C[C@@H]1CCCN1Cc1ccncc1)c1ccccc1 ZINC000076108338 369929821 /nfs/dbraw/zinc/92/98/21/369929821.db2.gz SETVYWFEEWSKOM-ROUUACIJSA-N 0 3 282.387 3.170 50 0 CGAAHN Cc1n[nH]cc1CN[C@@H]1c2cccc(F)c2CC[C@H]1C ZINC000080339811 369986930 /nfs/dbraw/zinc/98/69/30/369986930.db2.gz RVKQMYCHMFHOLF-HWPZZCPQSA-N 0 3 273.355 3.270 50 0 CGAAHN CCOC[C@@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000093839162 370163151 /nfs/dbraw/zinc/16/31/51/370163151.db2.gz RMCNNUXQNVDKJA-NHZBNJEXSA-N 0 3 263.356 3.197 50 0 CGAAHN c1cc(CN[C@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000096447518 370211920 /nfs/dbraw/zinc/21/19/20/370211920.db2.gz CEMPNKUGXBIHIH-LSDHHAIUSA-N 0 3 259.374 3.368 50 0 CGAAHN OC1(C(F)(F)F)CCN(Cc2cccc3[nH]ccc32)CC1 ZINC000097095428 370224499 /nfs/dbraw/zinc/22/44/99/370224499.db2.gz HVUKAHFKKMJBIU-UHFFFAOYSA-N 0 3 298.308 3.057 50 0 CGAAHN CCn1c(C)nnc1CN[C@@H](C)[C@H](C)C1CCCCC1 ZINC000097110881 370226499 /nfs/dbraw/zinc/22/64/99/370226499.db2.gz JCYCWHAZMHXTNL-STQMWFEESA-N 0 3 278.444 3.301 50 0 CGAAHN OCC[C@H](NCc1ccncc1Cl)C1CCCCC1 ZINC000097376806 370241577 /nfs/dbraw/zinc/24/15/77/370241577.db2.gz KMJJNTIUABGHCZ-HNNXBMFYSA-N 0 3 282.815 3.156 50 0 CGAAHN c1ccc([C@@H](C[C@H]2CCOC2)NCc2ccccn2)cc1 ZINC000095435736 370192752 /nfs/dbraw/zinc/19/27/52/370192752.db2.gz YLXBSSPLEVCBSU-CRAIPNDOSA-N 0 3 282.387 3.339 50 0 CGAAHN Cc1ncsc1CN[C@H](C)C[C@@H](O)c1cccs1 ZINC000095448934 370194904 /nfs/dbraw/zinc/19/49/04/370194904.db2.gz SNWVKMPOUHWWDZ-MWLCHTKSSA-N 0 3 282.434 3.115 50 0 CGAAHN CC[C@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161703040 372347614 /nfs/dbraw/zinc/34/76/14/372347614.db2.gz IJMPVBHJGLGVJY-GWCFXTLKSA-N 0 3 298.789 3.141 50 0 CGAAHN CNCc1ccccc1NC(=O)[C@H](C)c1cccs1 ZINC000170048086 372634416 /nfs/dbraw/zinc/63/44/16/372634416.db2.gz CYZMMILUDAKLOC-LLVKDONJSA-N 0 3 274.389 3.210 50 0 CGAAHN COc1ccc(OC2CCN(c3ccncc3)CC2)cc1 ZINC000077440094 541912495 /nfs/dbraw/zinc/91/24/95/541912495.db2.gz SEWYYMGSKNLIID-UHFFFAOYSA-N 0 3 284.359 3.138 50 0 CGAAHN CCCN1CCCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000089959059 541955834 /nfs/dbraw/zinc/95/58/34/541955834.db2.gz SYJQMJRXJCUOPU-UHFFFAOYSA-N 0 3 295.814 3.290 50 0 CGAAHN C[C@H](N[C@@H]1CCCC[C@@H]1OC1CCCC1)c1cnccn1 ZINC000090916343 541965298 /nfs/dbraw/zinc/96/52/98/541965298.db2.gz LMVASRNFRZVCKW-LXZKKBNFSA-N 0 3 289.423 3.398 50 0 CGAAHN Cc1cnc([C@@H]2CCCN(Cc3ccncc3)C2)s1 ZINC000095401529 541990883 /nfs/dbraw/zinc/99/08/83/541990883.db2.gz JAZNJYYUXJEOPK-CQSZACIVSA-N 0 3 273.405 3.226 50 0 CGAAHN C[C@H](CN[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082229 375156215 /nfs/dbraw/zinc/15/62/15/375156215.db2.gz LGBZOIAZSNBIPU-BXUZGUMPSA-N 0 3 290.798 3.160 50 0 CGAAHN C[C@H](C1CC1)N(C(=O)[C@@H](C)[C@@H](N)c1ccccc1)C1CC1 ZINC000195543221 376112374 /nfs/dbraw/zinc/11/23/74/376112374.db2.gz OGNOSEGQWDAFEY-OGHNNQOOSA-N 0 3 286.419 3.112 50 0 CGAAHN COc1c(N)ccnc1-c1ccc([C@@H](C)OC)cc1 ZINC000215974665 376155312 /nfs/dbraw/zinc/15/53/12/376155312.db2.gz TWTFAXLQCHLUQC-SNVBAGLBSA-N 0 3 258.321 3.047 50 0 CGAAHN CCc1ccc(CN(C)CC[C@@H](O)c2ccccc2)nc1 ZINC000216135872 376158433 /nfs/dbraw/zinc/15/84/33/376158433.db2.gz SYFDFYFZEKPDPL-GOSISDBHSA-N 0 3 284.403 3.200 50 0 CGAAHN CCc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000222052792 376228001 /nfs/dbraw/zinc/22/80/01/376228001.db2.gz DWYCIHQFZYDWAR-GFCCVEGCSA-N 0 3 271.408 3.450 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cccnc2)C1 ZINC000229315861 376459700 /nfs/dbraw/zinc/45/97/00/376459700.db2.gz LREUFWQPTRHVSA-MAUKXSAKSA-N 0 3 281.403 3.007 50 0 CGAAHN C[C@H]1CN([C@H]2C=CCCC2)CCN1[C@@H]1C=CCCC1 ZINC000229689250 376470485 /nfs/dbraw/zinc/47/04/85/376470485.db2.gz WMMCZZMVJCNODN-YESZJQIVSA-N 0 3 260.425 3.210 50 0 CGAAHN C[C@@H](N)C(=O)N([C@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000237444162 376743304 /nfs/dbraw/zinc/74/33/04/376743304.db2.gz JRHLZCKNHGHUTM-CHWSQXEVSA-N 0 3 282.387 3.239 50 0 CGAAHN Cc1cncc(CN2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000241720830 376778980 /nfs/dbraw/zinc/77/89/80/376778980.db2.gz QSOJQVBAGYLLHQ-QGZVFWFLSA-N 0 3 268.360 3.043 50 0 CGAAHN CC(C)SCCN1CCC(O)(c2ccccc2)CC1 ZINC000283152828 380040172 /nfs/dbraw/zinc/04/01/72/380040172.db2.gz ONMPOZPQTHAQOT-UHFFFAOYSA-N 0 3 279.449 3.112 50 0 CGAAHN CCN(CC)CCOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000002816064 391915661 /nfs/dbraw/zinc/91/56/61/391915661.db2.gz YKBVNJDUCONDHE-UHFFFAOYSA-N 0 3 277.408 3.483 50 0 CGAAHN CC[C@@H](c1ccc(F)cc1)N1CCC([C@@H](C)O)CC1 ZINC000096414877 392251411 /nfs/dbraw/zinc/25/14/11/392251411.db2.gz ZLBDPFMOZWJGAP-WBMJQRKESA-N 0 3 265.372 3.370 50 0 CGAAHN Cc1cnc(CCN[C@H](C)c2cccc(O)c2)s1 ZINC000194901529 392945028 /nfs/dbraw/zinc/94/50/28/392945028.db2.gz HOBXVSBZQRXKMR-LLVKDONJSA-N 0 3 262.378 3.050 50 0 CGAAHN CN(CCC[C@H]1CCCO1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215127221 392986697 /nfs/dbraw/zinc/98/66/97/392986697.db2.gz DWMYFEOOENVIKH-ZDUSSCGKSA-N 0 3 289.379 3.061 50 0 CGAAHN CS[C@@H](C)CCN(C)Cc1cc(-c2cccnc2)no1 ZINC000216534280 392990822 /nfs/dbraw/zinc/99/08/22/392990822.db2.gz PSSKLKMKUZTITP-LBPRGKRZSA-N 0 3 291.420 3.310 50 0 CGAAHN CC(C)c1ccc2c(c1)[C@@H](NCCN(C)C)CCCO2 ZINC000348319705 393120233 /nfs/dbraw/zinc/12/02/33/393120233.db2.gz GPSDPTAHUKQGAD-INIZCTEOSA-N 0 3 276.424 3.175 50 0 CGAAHN C[C@H](c1ccccc1[C@@H](O)c1ccccc1)N(C)C ZINC000005008638 299657252 /nfs/dbraw/zinc/65/72/52/299657252.db2.gz LISUDWGNQOAYJR-DYVFJYSZSA-N 0 3 255.361 3.391 50 0 CGAAHN Cc1cnc(CN2CCC3(CCc4ccccc43)CC2)cn1 ZINC000670443481 543154838 /nfs/dbraw/zinc/15/48/38/543154838.db2.gz SUPZPIQXIRBVKO-UHFFFAOYSA-N 0 3 293.414 3.265 50 0 CGAAHN CN(CCn1ccnc1)Cc1ccc(OC2CCCC2)cc1 ZINC000670454160 543155885 /nfs/dbraw/zinc/15/58/85/543155885.db2.gz ZTMKMLWRTPGHGF-UHFFFAOYSA-N 0 3 299.418 3.337 50 0 CGAAHN C[C@H](CC(F)(F)F)NCc1ccc(-c2ncon2)cc1 ZINC000670449197 543155131 /nfs/dbraw/zinc/15/51/31/543155131.db2.gz NFNAEPRINKYWBN-SECBINFHSA-N 0 3 285.269 3.167 50 0 CGAAHN C[C@H](C(=O)NCCCCC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC000107534477 397652373 /nfs/dbraw/zinc/65/23/73/397652373.db2.gz WVSNVCZQYJEMDG-GRYCIOLGSA-N 0 3 294.361 3.097 50 0 CGAAHN CCCC(=O)Nc1ccc(CNCc2cccnc2)cc1 ZINC000047719477 397634536 /nfs/dbraw/zinc/63/45/36/397634536.db2.gz VLAJZGNBXKIQKP-UHFFFAOYSA-N 0 3 283.375 3.110 50 0 CGAAHN COc1ccccc1OCCN1CC[C@H](C)[C@@H](C)C1 ZINC000006704086 170230701 /nfs/dbraw/zinc/23/07/01/170230701.db2.gz QTEPPUOVUCXBTM-KBPBESRZSA-N 0 3 263.381 3.052 50 0 CGAAHN CCOc1ccc(CNCc2ccccc2)cc1OC ZINC000008324712 170331489 /nfs/dbraw/zinc/33/14/89/170331489.db2.gz ZXXXPYGAZONCJK-UHFFFAOYSA-N 0 3 271.360 3.384 50 0 CGAAHN Cc1cccc(CNCc2ccc3nccnc3c2)c1 ZINC000009740600 170385231 /nfs/dbraw/zinc/38/52/31/170385231.db2.gz YIBRUJMYCFXPBS-UHFFFAOYSA-N 0 3 263.344 3.228 50 0 CGAAHN CCCCN1C(=O)C2=C(CCCC2)[C@@H]1NCCC(C)C ZINC000020158372 171039809 /nfs/dbraw/zinc/03/98/09/171039809.db2.gz YXVGUEWUPZIDOM-MRXNPFEDSA-N 0 3 278.440 3.461 50 0 CGAAHN Cc1ccc(CNCCNCc2ccc(C)cc2)cc1 ZINC000020365455 171164020 /nfs/dbraw/zinc/16/40/20/171164020.db2.gz SITQVAFDPSJLPK-UHFFFAOYSA-N 0 3 268.404 3.183 50 0 CGAAHN CCNCc1nn(Cc2ccccc2)nc1-c1ccccc1 ZINC000035287291 172105329 /nfs/dbraw/zinc/10/53/29/172105329.db2.gz MWLYPUHZURMRKF-UHFFFAOYSA-N 0 3 292.386 3.103 50 0 CGAAHN CN(C)C[C@H](CCCO[C@@H]1CCCCO1)c1ccccn1 ZINC000044124652 175143903 /nfs/dbraw/zinc/14/39/03/175143903.db2.gz YYCZUUUEUWNRIS-DOTOQJQBSA-N 0 3 292.423 3.050 50 0 CGAAHN Cc1nc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)cc(=O)[n-]1 ZINC000072162428 176330007 /nfs/dbraw/zinc/33/00/07/176330007.db2.gz PHCOWWWDDJBPFV-CQSZACIVSA-N 0 3 287.407 3.026 50 0 CGAAHN O=C(c1ccccc1)[C@H]1CCCN(c2ccncc2)C1 ZINC000077338636 177254024 /nfs/dbraw/zinc/25/40/24/177254024.db2.gz FNJHIUQUIMBRIE-HNNXBMFYSA-N 0 3 266.344 3.181 50 0 CGAAHN CS[C@H](C)CCN(Cc1cccnc1)C1CC1 ZINC000216462369 416520638 /nfs/dbraw/zinc/52/06/38/416520638.db2.gz UFHHUZQWAFHGRO-GFCCVEGCSA-N 0 3 250.411 3.188 50 0 CGAAHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2)C1 ZINC000035633070 273499790 /nfs/dbraw/zinc/49/97/90/273499790.db2.gz PYOZLJFLGIAVOE-HNNXBMFYSA-N 0 3 290.407 3.176 50 0 CGAAHN CC(C)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040023675 273513641 /nfs/dbraw/zinc/51/36/41/273513641.db2.gz QLTOYNHWXNDAJT-UHFFFAOYSA-N 0 3 286.341 3.483 50 0 CGAAHN CS[C@@H]1CCC[C@@H]1N(C)Cc1cccc(NC(C)=O)c1 ZINC000107145214 278144627 /nfs/dbraw/zinc/14/46/27/278144627.db2.gz UWIPTTVWJDUJIV-JKSUJKDBSA-N 0 3 292.448 3.361 50 0 CGAAHN C[C@@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1 ZINC000016421024 279143994 /nfs/dbraw/zinc/14/39/94/279143994.db2.gz DNQWBESNVTWRNM-IUODEOHRSA-N 0 3 273.401 3.401 50 0 CGAAHN Cc1cccc2c1[C@H](C)C[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000195558586 336056173 /nfs/dbraw/zinc/05/61/73/336056173.db2.gz PCOHFNDJPIMCGN-CTASWTNQSA-N 0 3 257.377 3.070 50 0 CGAAHN CSC[C@H](CCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000096478205 533788481 /nfs/dbraw/zinc/78/84/81/533788481.db2.gz VZVPIPPCENKFEO-AAEUAGOBSA-N 0 3 279.405 3.197 50 0 CGAAHN C[C@H](N[C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc(O)c1 ZINC000249512625 525523580 /nfs/dbraw/zinc/52/35/80/525523580.db2.gz IMYHOPSJDGRZRY-DEYYWGMASA-N 0 3 285.387 3.035 50 0 CGAAHN CCN(CC)CCN[C@@H](C)c1ccc(Br)o1 ZINC000131612910 528136800 /nfs/dbraw/zinc/13/68/00/528136800.db2.gz ZRVFHTNSPFINGB-JTQLQIEISA-N 0 3 289.217 3.035 50 0 CGAAHN Cc1cnn(C[C@@H](C)N[C@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101220 619261073 /nfs/dbraw/zinc/26/10/73/619261073.db2.gz UTRWPNDKDDEURR-VXGBXAGGSA-N 0 3 294.349 3.263 50 0 CGAAHN C[C@H](CC(F)(F)F)NCc1ccc2nsnc2c1 ZINC000820978118 800455773 /nfs/dbraw/zinc/45/57/73/800455773.db2.gz RWSBMHBBQGEHAZ-SSDOTTSWSA-N 0 3 275.299 3.122 50 0 CGAAHN CN(Cc1cncnc1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952871830 800685903 /nfs/dbraw/zinc/68/59/03/800685903.db2.gz DKVDBMJQRPVZDZ-GOSISDBHSA-N 0 3 281.403 3.276 50 0 CGAAHN CCN(Cc1sc(C)nc1C)C[C@@H]1CCCCO1 ZINC001506400828 937989434 /nfs/dbraw/zinc/98/94/34/937989434.db2.gz CJKLJCLPYNEQQV-ZDUSSCGKSA-N 0 3 268.426 3.151 50 0 CGAAHN COc1ccc2c(C)cc(N[C@H](C)c3n[nH]c(C)n3)nc2c1 ZINC001506409859 937989988 /nfs/dbraw/zinc/98/99/88/937989988.db2.gz UTGIUGAQYAHLGN-SNVBAGLBSA-N 0 3 297.362 3.151 50 0 CGAAHN COc1cccc(CN(C)C2CCSCC2)c1OC ZINC000097743358 230387569 /nfs/dbraw/zinc/38/75/69/230387569.db2.gz LSRUUMLYSMXRKO-UHFFFAOYSA-N 0 3 281.421 3.031 50 0 CGAAHN Cc1noc(C)c1CN1CCC(COC2CCCC2)CC1 ZINC000095951768 185039735 /nfs/dbraw/zinc/03/97/35/185039735.db2.gz YHGOHHLNLJSPMT-UHFFFAOYSA-N 0 3 292.423 3.463 50 0 CGAAHN Cc1cc([C@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967528 185046186 /nfs/dbraw/zinc/04/61/86/185046186.db2.gz ZIPLSLTWDCFCKV-CMPLNLGQSA-N 0 3 290.329 3.184 50 0 CGAAHN Cc1ncccc1CN[C@@H](C)C[C@@H](O)c1cccs1 ZINC000095978244 185051634 /nfs/dbraw/zinc/05/16/34/185051634.db2.gz FDLKLJAFARQBQP-SMDDNHRTSA-N 0 3 276.405 3.053 50 0 CGAAHN CC(=O)N1CC[C@H](N[C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000095986489 185056475 /nfs/dbraw/zinc/05/64/75/185056475.db2.gz CECVAFUPTLAMKU-DOTOQJQBSA-N 0 3 290.407 3.030 50 0 CGAAHN CN(Cc1ccccc1)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000049870795 345075654 /nfs/dbraw/zinc/07/56/54/345075654.db2.gz WKMHORNHIYSUSG-MRXNPFEDSA-N 0 3 277.314 3.130 50 0 CGAAHN CC(C)(C)CCN1CCN(c2cnc3ccccc3n2)CC1 ZINC000084169808 345730580 /nfs/dbraw/zinc/73/05/80/345730580.db2.gz SQSAVEUNPNSIAR-UHFFFAOYSA-N 0 3 298.434 3.188 50 0 CGAAHN OCc1ccc(CNCc2ccc(C(F)(F)F)cc2)cc1 ZINC000157930839 346163201 /nfs/dbraw/zinc/16/32/01/346163201.db2.gz JOGWCCFSSWMLGB-UHFFFAOYSA-N 0 3 295.304 3.488 50 0 CGAAHN CCn1ccnc1C1CCN(Cc2ccccc2)CC1 ZINC000091793662 180257654 /nfs/dbraw/zinc/25/76/54/180257654.db2.gz HVYMBAWQMYERMW-UHFFFAOYSA-N 0 3 269.392 3.283 50 0 CGAAHN CC[C@@H](NCCc1ccnn1CC)c1ccc(F)cc1F ZINC000170616895 188678059 /nfs/dbraw/zinc/67/80/59/188678059.db2.gz IODUMXKUMQPJMU-MRXNPFEDSA-N 0 3 293.361 3.465 50 0 CGAAHN CN(CCc1cccnc1)Cc1cc(F)c(F)c(F)c1 ZINC000180513252 189259803 /nfs/dbraw/zinc/25/98/03/189259803.db2.gz XNVRMSBPISISPE-UHFFFAOYSA-N 0 3 280.293 3.173 50 0 CGAAHN CN(C)CCNc1cc(-c2ccncc2)nc2ccccc21 ZINC000000163639 368305756 /nfs/dbraw/zinc/30/57/56/368305756.db2.gz ULQPITQRWIPCEM-UHFFFAOYSA-N 0 3 292.386 3.270 50 0 CGAAHN Cc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000000267269 368328280 /nfs/dbraw/zinc/32/82/80/368328280.db2.gz ZBTXVYBPJZGWDX-UHFFFAOYSA-N 0 3 255.317 3.014 50 0 CGAAHN OC1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000000320034 368340668 /nfs/dbraw/zinc/34/06/68/368340668.db2.gz FCLMXEAPEVBCKQ-UHFFFAOYSA-N 0 3 267.372 3.170 50 0 in-vivo CGAAHN CN(CCOC(=O)/C=C/c1ccccc1)Cc1ccccc1 ZINC000002180610 368448510 /nfs/dbraw/zinc/44/85/10/368448510.db2.gz WGJZHHKNRDENEN-OUKQBFOZSA-N 0 3 295.382 3.375 50 0 CGAAHN Cc1ccc(C)c(OC[C@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000002686913 368473175 /nfs/dbraw/zinc/47/31/75/368473175.db2.gz CUDWOFARGHVODJ-SJLPKXTDSA-N 0 3 299.414 3.394 50 0 CGAAHN C[C@@H](NCC1OCc2ccccc2CO1)c1ccccc1 ZINC000000203094 296120822 /nfs/dbraw/zinc/12/08/22/296120822.db2.gz KULBLLSSWZJGPL-CQSZACIVSA-N 0 3 283.371 3.410 50 0 CGAAHN Cc1cccc(CSc2nnc([C@@H]3CCCN3)o2)c1 ZINC000005501029 368562884 /nfs/dbraw/zinc/56/28/84/368562884.db2.gz GACKSRBZTVVYDL-LBPRGKRZSA-N 0 3 275.377 3.095 50 0 CGAAHN Cc1cc(C)c2c(c1)[nH]c(C)c(CN1CCCC1)c2=O ZINC000008717411 368575358 /nfs/dbraw/zinc/57/53/58/368575358.db2.gz VOGIMNXQPBMVQP-UHFFFAOYSA-N 0 3 270.376 3.461 50 0 CGAAHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000010384193 368580797 /nfs/dbraw/zinc/58/07/97/368580797.db2.gz XSNYLZBFIFXSNR-WBVHZDCISA-N 0 3 285.387 3.086 50 0 CGAAHN CCOc1ccc(CNC[C@@H]2CCCO2)cc1Cl ZINC000010474463 368582370 /nfs/dbraw/zinc/58/23/70/368582370.db2.gz VWALHGHITFHASY-LBPRGKRZSA-N 0 3 269.772 3.007 50 0 CGAAHN CC1CCC(N2CCN(Cc3ccccc3)CC2)CC1 ZINC000019636348 368758559 /nfs/dbraw/zinc/75/85/59/368758559.db2.gz NQSPKVYZKSVGCG-UHFFFAOYSA-N 0 3 272.436 3.383 50 0 CGAAHN c1coc(CN[C@@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000019771111 368764775 /nfs/dbraw/zinc/76/47/75/368764775.db2.gz VGWBPGXNMWBIFN-GOSISDBHSA-N 0 3 298.430 3.466 50 0 CGAAHN c1ccc(CCCN2CCN(C3CCCC3)CC2)cc1 ZINC000019831793 368768153 /nfs/dbraw/zinc/76/81/53/368768153.db2.gz CTBUJXLGYGTTNV-UHFFFAOYSA-N 0 3 272.436 3.179 50 0 CGAAHN CCc1c[nH]nc1[C@@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000019229276 368745725 /nfs/dbraw/zinc/74/57/25/368745725.db2.gz UATYHJJQADRCIT-MRXNPFEDSA-N 0 3 299.418 3.360 50 0 CGAAHN CC[C@@H](C)c1ccccc1OCCCN1CCN(C)CC1 ZINC000020118716 368804228 /nfs/dbraw/zinc/80/42/28/368804228.db2.gz YMUJKVDHPFDDKT-MRXNPFEDSA-N 0 3 290.451 3.216 50 0 CGAAHN OC[C@@H]1CCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000023280775 368819997 /nfs/dbraw/zinc/81/99/97/368819997.db2.gz SJTMOGBUXNZXMN-INIZCTEOSA-N 0 3 283.371 3.436 50 0 CGAAHN CC(C)CC(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027664377 368874651 /nfs/dbraw/zinc/87/46/51/368874651.db2.gz GGBOZXLLJUEOKQ-AWEZNQCLSA-N 0 3 294.464 3.437 50 0 CGAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2ccncc2)cc1 ZINC000030640817 368905158 /nfs/dbraw/zinc/90/51/58/368905158.db2.gz BFPJPGACVHUYCW-CYBMUJFWSA-N 0 3 283.375 3.281 50 0 CGAAHN c1coc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000039466721 369150844 /nfs/dbraw/zinc/15/08/44/369150844.db2.gz JFEMCXQHGFPPDW-QGZVFWFLSA-N 0 3 296.414 3.001 50 0 CGAAHN Cc1cccc(CN(C)[C@@H](C)Cc2ncccc2C)n1 ZINC000065372096 369668932 /nfs/dbraw/zinc/66/89/32/369668932.db2.gz ZEFIQJAOGHDACO-HNNXBMFYSA-N 0 3 269.392 3.156 50 0 CGAAHN C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@H]1CCCO1 ZINC000066972346 369708743 /nfs/dbraw/zinc/70/87/43/369708743.db2.gz BQRHIGWYYVPRJW-IUODEOHRSA-N 0 3 288.416 3.467 50 0 CGAAHN CCc1csc(CN[C@@H](C)CN2CCCCCC2)n1 ZINC000067741924 369727421 /nfs/dbraw/zinc/72/74/21/369727421.db2.gz RWJMMTOJBPZRLM-ZDUSSCGKSA-N 0 3 281.469 3.060 50 0 CGAAHN Cc1noc(CCCN(C)[C@H](C)c2ccc(F)c(F)c2)n1 ZINC000078970956 369957250 /nfs/dbraw/zinc/95/72/50/369957250.db2.gz GYYFYEHCMDWJGI-SNVBAGLBSA-N 0 3 295.333 3.282 50 0 CGAAHN Cc1cn2c(n1)[C@H](CNCc1cc(F)ccc1F)CCC2 ZINC000084257756 370012283 /nfs/dbraw/zinc/01/22/83/370012283.db2.gz PTVIMPKBUYQTEA-LBPRGKRZSA-N 0 3 291.345 3.137 50 0 CGAAHN CC[C@@H](COC)N[C@H](C)c1nc2ccccc2n1CC ZINC000090118318 370055177 /nfs/dbraw/zinc/05/51/77/370055177.db2.gz ZHNJWFJVSXPUJW-OLZOCXBDSA-N 0 3 275.396 3.132 50 0 CGAAHN CCc1ccc([C@H](C)N[C@@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532261 370061954 /nfs/dbraw/zinc/06/19/54/370061954.db2.gz AEHDOJTUQAXDDM-JQWIXIFHSA-N 0 3 261.369 3.155 50 0 CGAAHN CCc1ccc([C@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)o1 ZINC000090532261 370061959 /nfs/dbraw/zinc/06/19/59/370061959.db2.gz AEHDOJTUQAXDDM-JQWIXIFHSA-N 0 3 261.369 3.155 50 0 CGAAHN CCSC1(CNCc2ccc(CC)o2)CCOCC1 ZINC000095415507 370185427 /nfs/dbraw/zinc/18/54/27/370185427.db2.gz GMYBKJCUJHNBOW-UHFFFAOYSA-N 0 3 283.437 3.234 50 0 CGAAHN Cc1[nH]nc(CN(C)[C@@H](C)Cc2ncccc2C)c1Cl ZINC000097578429 370246537 /nfs/dbraw/zinc/24/65/37/370246537.db2.gz HNMXJJVZLWOMRQ-NSHDSACASA-N 0 3 292.814 3.138 50 0 CGAAHN COc1cccc(C[C@H](C)NCc2ccc(C)cn2)c1 ZINC000095416672 370186969 /nfs/dbraw/zinc/18/69/69/370186969.db2.gz SPUJZNCVUFGSEP-AWEZNQCLSA-N 0 3 270.376 3.119 50 0 CGAAHN Fc1cc(CNCCC(F)(F)F)ccc1OC(F)F ZINC000095437396 370193563 /nfs/dbraw/zinc/19/35/63/370193563.db2.gz PBYVBSPGIQKCFD-UHFFFAOYSA-N 0 3 287.203 3.469 50 0 CGAAHN O=C(N[C@H]1CC[C@@H]2CCC[C@@H]21)C1(N2CCCC2)CCCC1 ZINC000077506011 284222570 /nfs/dbraw/zinc/22/25/70/284222570.db2.gz MWCQCTWTVLEQNP-JYJNAYRXSA-N 0 3 290.451 3.090 50 0 CGAAHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1[nH]ncc1C ZINC000290992814 372090137 /nfs/dbraw/zinc/09/01/37/372090137.db2.gz ABTRSHCLWCOARR-INIZCTEOSA-N 0 3 273.380 3.310 50 0 CGAAHN COc1ncccc1-c1ccc(OCCN2CCCC2)cc1 ZINC000426707415 372169838 /nfs/dbraw/zinc/16/98/38/372169838.db2.gz KUMZAPWJJIGJRI-UHFFFAOYSA-N 0 3 298.386 3.232 50 0 CGAAHN C[C@H](CCN(C)Cc1cnccn1)c1ccccc1 ZINC000193810015 375926126 /nfs/dbraw/zinc/92/61/26/375926126.db2.gz GGBFVTVFDKIUBL-CQSZACIVSA-N 0 3 255.365 3.102 50 0 CGAAHN Cc1ccc(-c2ccccc2CN2CCC[C@@H](CO)C2)o1 ZINC000215294177 376146303 /nfs/dbraw/zinc/14/63/03/376146303.db2.gz ADNAYSWVHBTRHE-OAHLLOKOSA-N 0 3 285.387 3.459 50 0 CGAAHN c1ncc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)[nH]1 ZINC000215315611 376147648 /nfs/dbraw/zinc/14/76/48/376147648.db2.gz QHODAWCCFGYLOO-GFCCVEGCSA-N 0 3 298.415 3.399 50 0 CGAAHN COc1ccc(/C=C(\C)CN[C@H](C)c2cnn(C)c2)cc1 ZINC000221722023 376219885 /nfs/dbraw/zinc/21/98/85/376219885.db2.gz IAICAUNHVKJFBH-KADHNRKRSA-N 0 3 285.391 3.183 50 0 CGAAHN Cc1c(Cl)cccc1NC(=O)CCN1CCSCC1 ZINC000243919611 376788895 /nfs/dbraw/zinc/78/88/95/376788895.db2.gz BPSFGCNWEMJALA-UHFFFAOYSA-N 0 3 298.839 3.026 50 0 CGAAHN CCN(CC=C(C)C)C[C@H]1COc2ccccc2O1 ZINC000253392628 377689693 /nfs/dbraw/zinc/68/96/93/377689693.db2.gz NCUJVEJVQJVTSK-AWEZNQCLSA-N 0 3 261.365 3.115 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000575545813 377918249 /nfs/dbraw/zinc/91/82/49/377918249.db2.gz JWWZCAGGGZRISK-QGZVFWFLSA-N 0 3 296.418 3.301 50 0 CGAAHN CCc1oc2ccccc2c1CN1CC[C@@H](OC)C1 ZINC000353894662 220393783 /nfs/dbraw/zinc/39/37/83/220393783.db2.gz DYNHJSXOATZYCS-GFCCVEGCSA-N 0 3 259.349 3.216 50 0 CGAAHN CN(Cc1cccs1)[C@@H](CCO)c1ccccc1 ZINC000093442432 184675495 /nfs/dbraw/zinc/67/54/95/184675495.db2.gz YINOUOBCKNSQAI-HNNXBMFYSA-N 0 3 261.390 3.304 50 0 CGAAHN CCS[C@@H]1CCCC[C@@H]1NCc1c(C)noc1C ZINC000190043954 392810813 /nfs/dbraw/zinc/81/08/13/392810813.db2.gz UNSVCDYBOCCCOE-UONOGXRCSA-N 0 3 268.426 3.445 50 0 CGAAHN Cc1ccc(C)c(OCCN2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193997202 392894434 /nfs/dbraw/zinc/89/44/34/392894434.db2.gz QILKXUQKVZTAIZ-MRXNPFEDSA-N 0 3 299.418 3.285 50 0 CGAAHN C/C(=C/C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)C1CC1 ZINC000107483314 397652352 /nfs/dbraw/zinc/65/23/52/397652352.db2.gz GVEDMVJSRFDRCT-XULRQEJASA-N 0 3 298.430 3.294 50 0 CGAAHN CCc1nnc(C[N@H+](CCc2ccccc2)C2CCCC2)[n-]1 ZINC000158006797 397657696 /nfs/dbraw/zinc/65/76/96/397657696.db2.gz WFBXGFDQLAFSLX-UHFFFAOYSA-N 0 3 298.434 3.354 50 0 CGAAHN CCc1nnc(C[N@@H+](CCc2ccccc2)C2CCCC2)[n-]1 ZINC000158006797 397657701 /nfs/dbraw/zinc/65/77/01/397657701.db2.gz WFBXGFDQLAFSLX-UHFFFAOYSA-N 0 3 298.434 3.354 50 0 CGAAHN C[C@@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000035587970 287001772 /nfs/dbraw/zinc/00/17/72/287001772.db2.gz BSEBOXRPIWDTLS-RHSMWYFYSA-N 0 3 282.387 3.108 50 0 CGAAHN CC(=O)c1cccc(OCCN2C[C@@H](C)C[C@H](C)C2)c1 ZINC000004841740 170028421 /nfs/dbraw/zinc/02/84/21/170028421.db2.gz VVYNWWQREPVHQQ-KBPBESRZSA-N 0 3 275.392 3.246 50 0 CGAAHN Cc1ccsc1CNCc1ccc2c(c1)OCO2 ZINC000005019760 170056598 /nfs/dbraw/zinc/05/65/98/170056598.db2.gz PHSHHUIIIZQHAG-UHFFFAOYSA-N 0 3 261.346 3.075 50 0 CGAAHN Cc1ccc(C)c(C(=O)CN2Cc3ccccc3C2=N)c1 ZINC000005538150 170110483 /nfs/dbraw/zinc/11/04/83/170110483.db2.gz WQXRJZIKXUMAFA-UHFFFAOYSA-N 0 3 278.355 3.327 50 0 CGAAHN CC(C)(CNC(=S)NC1CCCCC1)N1CCCCC1 ZINC000006906518 170254633 /nfs/dbraw/zinc/25/46/33/170254633.db2.gz BEJBDCQZVBTQFN-UHFFFAOYSA-N 0 3 297.512 3.048 50 0 CGAAHN O=C(CCN1CCc2sccc2C1)Nc1ccccc1 ZINC000010093089 170397362 /nfs/dbraw/zinc/39/73/62/170397362.db2.gz KOABVILJRSADIG-UHFFFAOYSA-N 0 3 286.400 3.135 50 0 CGAAHN Cc1noc(C)c1CN[C@H](C)CCc1ccccc1 ZINC000020253295 171106045 /nfs/dbraw/zinc/10/60/45/171106045.db2.gz VPXTUMDCQVMWEA-GFCCVEGCSA-N 0 3 258.365 3.402 50 0 CGAAHN CCN1CCN(CCCCOc2ccc(C)cc2C)CC1 ZINC000020324342 171150947 /nfs/dbraw/zinc/15/09/47/171150947.db2.gz WDLAINUYHAWXBB-UHFFFAOYSA-N 0 3 290.451 3.100 50 0 CGAAHN Fc1ccc(C[C@@H]2CN(C3CCCC3)CCO2)cc1 ZINC000020993466 171283683 /nfs/dbraw/zinc/28/36/83/171283683.db2.gz DPTVIKKQOQCWOX-MRXNPFEDSA-N 0 3 263.356 3.012 50 0 CGAAHN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](C)C1 ZINC000021670683 171319165 /nfs/dbraw/zinc/31/91/65/171319165.db2.gz PWMGLQXNLNSDGX-OLZOCXBDSA-N 0 3 294.826 3.077 50 0 CGAAHN COc1ccc(CNC/C=C\c2ccccc2)cc1 ZINC000035539903 172246338 /nfs/dbraw/zinc/24/63/38/172246338.db2.gz IQQXLSODJFFWOV-YVMONPNESA-N 0 3 253.345 3.498 50 0 CGAAHN CC(C)CN(Cc1nc(C2CC2)no1)CC(C)C ZINC000046781193 175399004 /nfs/dbraw/zinc/39/90/04/175399004.db2.gz OUIGZYAJGHCYAD-UHFFFAOYSA-N 0 3 251.374 3.061 50 0 CGAAHN COCCC[C@H]1CCCCN1Cc1cc(CC(C)C)n[nH]1 ZINC000077323713 177253177 /nfs/dbraw/zinc/25/31/77/177253177.db2.gz QUGFDOLXZQBDOP-QGZVFWFLSA-N 0 3 293.455 3.389 50 0 CGAAHN COCCC[C@H]1CCCCN1Cc1cc(CC(C)C)[nH]n1 ZINC000077323713 177253179 /nfs/dbraw/zinc/25/31/79/177253179.db2.gz QUGFDOLXZQBDOP-QGZVFWFLSA-N 0 3 293.455 3.389 50 0 CGAAHN CC(C)[C@@H](CN[C@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711977 419073475 /nfs/dbraw/zinc/07/34/75/419073475.db2.gz KVFBSYQUUQQHDJ-DLBZAZTESA-N 0 3 298.434 3.444 50 0 CGAAHN Clc1ccc([C@@H]2OCC[C@H]2NCc2ccncc2)cc1 ZINC000095984342 274881867 /nfs/dbraw/zinc/88/18/67/274881867.db2.gz NJXBHDMKGUZGOU-CVEARBPZSA-N 0 3 288.778 3.355 50 0 CGAAHN CC(C)(C)[S@](=O)CCN[C@@H]1CCSc2ccccc21 ZINC000095968108 275534188 /nfs/dbraw/zinc/53/41/88/275534188.db2.gz OFORJAQZVLJMQJ-YJYMSZOUSA-N 0 3 297.489 3.360 50 0 CGAAHN COc1cc(OC)cc([C@H]2CCN(Cc3ccncc3)C2)c1 ZINC000083689584 566862538 /nfs/dbraw/zinc/86/25/38/566862538.db2.gz MKBXZIVPHYQFKK-HNNXBMFYSA-N 0 3 298.386 3.088 50 0 CGAAHN C[C@@H](Cc1ccccc1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000033640300 570404748 /nfs/dbraw/zinc/40/47/48/570404748.db2.gz YZPVTFSJDLMIEM-HNNXBMFYSA-N 0 3 296.414 3.109 50 0 CGAAHN CC(C)c1nnc(CN[C@H]2CCCC23CCOCC3)s1 ZINC000337390391 214047940 /nfs/dbraw/zinc/04/79/40/214047940.db2.gz NGVAVTDEAIHIJO-LBPRGKRZSA-N 0 3 295.452 3.100 50 0 CGAAHN Cc1c2cc(Cl)ccc2[nH]c1CN1CCC[C@@H](O)CC1 ZINC000097742991 230387092 /nfs/dbraw/zinc/38/70/92/230387092.db2.gz BGYDTCLNZXHWQL-CYBMUJFWSA-N 0 3 292.810 3.477 50 0 CGAAHN CN(C)CCn1cc(-c2ccc(F)cc2)c(-n2cccc2)n1 ZINC000095921412 185031752 /nfs/dbraw/zinc/03/17/52/185031752.db2.gz ZCQVHVWVDAEXBJ-UHFFFAOYSA-N 0 3 298.365 3.042 50 0 in-vitro CGAAHN COc1ccc(CN2CC[C@@H](c3ccccc3)C2)nc1 ZINC000095986411 185056822 /nfs/dbraw/zinc/05/68/22/185056822.db2.gz PHYWEKZWSGHWCD-OAHLLOKOSA-N 0 3 268.360 3.080 50 0 CGAAHN CC[C@@H]1CN(CC(C)C)Cc2cc(OC)ccc2O1 ZINC000012162163 344879310 /nfs/dbraw/zinc/87/93/10/344879310.db2.gz URFKOBXYPHHVOJ-CQSZACIVSA-N 0 3 263.381 3.324 50 0 CGAAHN Cc1ccc(OCCOCCN2CCCCC2)cc1C ZINC000016666933 344886837 /nfs/dbraw/zinc/88/68/37/344886837.db2.gz OSVIPOUOVPUYTI-UHFFFAOYSA-N 0 3 277.408 3.185 50 0 CGAAHN Cc1cc(N2CCCN(C)CC2)nc2ccc(Cl)cc12 ZINC000023634571 344898342 /nfs/dbraw/zinc/89/83/42/344898342.db2.gz UFHNKRWHPMOGBP-UHFFFAOYSA-N 0 3 289.810 3.339 50 0 CGAAHN Cc1cccc(CN(CCN(C)C2CC2)C2CC2)c1 ZINC000170607309 346195098 /nfs/dbraw/zinc/19/50/98/346195098.db2.gz MMTWSKUWNPKFRP-UHFFFAOYSA-N 0 3 258.409 3.054 50 0 CGAAHN c1ccc([C@H](NCCC2=CCOCC2)c2ccncc2)cc1 ZINC000195553887 346273125 /nfs/dbraw/zinc/27/31/25/346273125.db2.gz JSDBGSGTNXOJEN-IBGZPJMESA-N 0 3 294.398 3.497 50 0 CGAAHN COC[C@@H](NCCc1cc(F)ccc1F)c1ccccc1 ZINC000225634040 346304816 /nfs/dbraw/zinc/30/48/16/346304816.db2.gz CIFFCWYMSNRFBM-QGZVFWFLSA-N 0 3 291.341 3.485 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000409421180 346605222 /nfs/dbraw/zinc/60/52/22/346605222.db2.gz WNQKWERUJSHIIT-QGZVFWFLSA-N 0 3 296.418 3.301 50 0 CGAAHN CC[N@@H+]1CCCC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000339250502 215040426 /nfs/dbraw/zinc/04/04/26/215040426.db2.gz VCRASICBLUZEKV-CYBMUJFWSA-N 0 3 282.815 3.010 50 0 CGAAHN CC[N@H+]1CCCC[C@@H]1CNCc1cccc([O-])c1Cl ZINC000339250502 215040428 /nfs/dbraw/zinc/04/04/28/215040428.db2.gz VCRASICBLUZEKV-CYBMUJFWSA-N 0 3 282.815 3.010 50 0 CGAAHN Cc1ccc([C@@H](NC2CCOCC2)c2ccncc2)cc1 ZINC000584886240 346721293 /nfs/dbraw/zinc/72/12/93/346721293.db2.gz CNUCFOCHCRKJGO-GOSISDBHSA-N 0 3 282.387 3.248 50 0 CGAAHN C[C@@H](CC(F)(F)F)NCc1nc2ccc(F)cc2[nH]1 ZINC000584903022 346723844 /nfs/dbraw/zinc/72/38/44/346723844.db2.gz CCCTUTOGGDOWAW-ZETCQYMHSA-N 0 3 275.249 3.133 50 0 CGAAHN C[C@@H](c1ccccn1)N(C)CC1(O)CCC(C)CC1 ZINC000091702246 180230441 /nfs/dbraw/zinc/23/04/41/180230441.db2.gz YUCGHCYDTWLXLD-BBBYJDLNSA-N 0 3 262.397 3.016 50 0 CGAAHN CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@H](C)c2ccco2)C1 ZINC000108115427 186205406 /nfs/dbraw/zinc/20/54/06/186205406.db2.gz NTZRUHQFHQAWEP-MCIONIFRSA-N 0 3 278.396 3.014 50 0 CGAAHN O[C@@](c1cccs1)(c1ccccc1)[C@H]1CN2CCC1CC2 ZINC000000204005 368313946 /nfs/dbraw/zinc/31/39/46/368313946.db2.gz IPKLUCDIJUDRKF-WMZOPIPTSA-N 0 3 299.439 3.326 50 0 CGAAHN O[C@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000201008 368314336 /nfs/dbraw/zinc/31/43/36/368314336.db2.gz HUIWTFGNMYHERI-SFHVURJKSA-N 0 3 267.372 3.310 50 0 CGAAHN CCOc1ccccc1CN(C)CCc1ccccn1 ZINC000000200593 368314500 /nfs/dbraw/zinc/31/45/00/368314500.db2.gz LHHGWYDWMULYLK-UHFFFAOYSA-N 0 3 270.376 3.155 50 0 CGAAHN CCN(CCO)Cc1csc2ccc(Cl)cc12 ZINC000000338767 368342666 /nfs/dbraw/zinc/34/26/66/368342666.db2.gz AIYQKJMMZLHTHH-UHFFFAOYSA-N 0 3 269.797 3.369 50 0 CGAAHN CC(C)C(=O)Nc1ccc(CN2CCCCC2)cc1 ZINC000000528724 368384078 /nfs/dbraw/zinc/38/40/78/368384078.db2.gz NKUJIDQPKBADLB-UHFFFAOYSA-N 0 3 260.381 3.267 50 0 CGAAHN CCN(CC)CC(=O)N(C)C(CC(C)C)CC(C)C ZINC000002168033 368449026 /nfs/dbraw/zinc/44/90/26/368449026.db2.gz LBRCQTCFTPRERW-UHFFFAOYSA-N 0 3 270.461 3.247 50 0 CGAAHN CCN(CC(=O)Nc1ccc(OC)cc1)C1CCCCC1 ZINC000003279660 368500080 /nfs/dbraw/zinc/50/00/80/368500080.db2.gz RQRBETGSPIZVDV-UHFFFAOYSA-N 0 3 290.407 3.288 50 0 CGAAHN Cc1cc(Cl)cc(Cl)c1OCCOCCN(C)C ZINC000002823508 368479832 /nfs/dbraw/zinc/47/98/32/368479832.db2.gz DYVNGQCNSFPQKG-UHFFFAOYSA-N 0 3 292.206 3.259 50 0 CGAAHN Clc1ccc(CSc2nnc([C@@H]3CCCN3)o2)cc1 ZINC000004295624 368541800 /nfs/dbraw/zinc/54/18/00/368541800.db2.gz VDQBXGIKLLSJSC-NSHDSACASA-N 0 3 295.795 3.440 50 0 CGAAHN O=C(C1CCCCC1)N1CCN(C2CCCCC2)CC1 ZINC000012343491 368607729 /nfs/dbraw/zinc/60/77/29/368607729.db2.gz MAEICGOAHFFMEL-UHFFFAOYSA-N 0 3 278.440 3.044 50 0 CGAAHN Cc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019789351 368765778 /nfs/dbraw/zinc/76/57/78/368765778.db2.gz YFWCFIYXDFSTOC-GOSISDBHSA-N 0 3 284.447 3.469 50 0 CGAAHN Fc1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000019789237 368766216 /nfs/dbraw/zinc/76/62/16/368766216.db2.gz RBGAXWHCLMAZKK-INIZCTEOSA-N 0 3 288.410 3.300 50 0 CGAAHN Fc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019842473 368771417 /nfs/dbraw/zinc/77/14/17/368771417.db2.gz PMGAFJUNPMEQOI-INIZCTEOSA-N 0 3 288.410 3.300 50 0 CGAAHN Clc1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000019359680 368750136 /nfs/dbraw/zinc/75/01/36/368750136.db2.gz QFZCISUTDXZSAA-UHFFFAOYSA-N 0 3 278.827 3.400 50 0 CGAAHN Cc1ccc(C)c(CN2CCN(c3ccc(O)cc3)CC2)c1 ZINC000023653626 368823544 /nfs/dbraw/zinc/82/35/44/368823544.db2.gz DWKHJZFOUCWJSO-UHFFFAOYSA-N 0 3 296.414 3.331 50 0 CGAAHN CCN(CC)CCNCc1c(Cl)cccc1Cl ZINC000019919635 368784465 /nfs/dbraw/zinc/78/44/65/368784465.db2.gz LOWHFRLSHJDAGM-UHFFFAOYSA-N 0 3 275.223 3.425 50 0 CGAAHN N[C@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000019971008 368792431 /nfs/dbraw/zinc/79/24/31/368792431.db2.gz JWINCZBVUPPUFG-OAHLLOKOSA-N 0 3 259.736 3.323 50 0 CGAAHN CC1CCC(NCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000020050196 368796271 /nfs/dbraw/zinc/79/62/71/368796271.db2.gz FOMIVTSXHHIEHN-UHFFFAOYSA-N 0 3 280.799 3.447 50 0 CGAAHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1)c1cccs1 ZINC000027368550 368871554 /nfs/dbraw/zinc/87/15/54/368871554.db2.gz YSPAPRGAOCEECR-HNNXBMFYSA-N 0 3 288.416 3.334 50 0 CGAAHN C[C@H](CN1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000034484337 368975596 /nfs/dbraw/zinc/97/55/96/368975596.db2.gz FKQJPVFJZTTYGN-LLVKDONJSA-N 0 3 251.757 3.255 50 0 CGAAHN CC(C)C[C@H](NCc1cnn(C)c1)c1ccccc1 ZINC000035012766 368989838 /nfs/dbraw/zinc/98/98/38/368989838.db2.gz MPQKJWUDZOLGJO-INIZCTEOSA-N 0 3 257.381 3.297 50 0 CGAAHN Cc1n[nH]cc1CN[C@@H](c1ccc(C)cc1)C1CC1 ZINC000038011458 369140542 /nfs/dbraw/zinc/14/05/42/369140542.db2.gz GBTCPESQLYXSFO-INIZCTEOSA-N 0 3 255.365 3.267 50 0 CGAAHN CC(C)N1CC[C@@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000058378670 369565703 /nfs/dbraw/zinc/56/57/03/369565703.db2.gz QOLXAVMFJOVKFL-OAHLLOKOSA-N 0 3 297.402 3.444 50 0 CGAAHN COC(=O)c1oc(CN(C2CC2)C2CCCC2)cc1C ZINC000057619746 369543667 /nfs/dbraw/zinc/54/36/67/369543667.db2.gz HZLLQXKQDFIPES-UHFFFAOYSA-N 0 3 277.364 3.282 50 0 CGAAHN COc1cc(Oc2ccc(C)nn2)ccc1CN1CCCC1 ZINC000067514133 369719258 /nfs/dbraw/zinc/71/92/58/369719258.db2.gz NOMDNWHKFYDAHI-UHFFFAOYSA-N 0 3 299.374 3.182 50 0 CGAAHN COc1ccccc1/C=C/CN1CCN(C(C)C)[C@H](C)C1 ZINC000065506331 369681059 /nfs/dbraw/zinc/68/10/59/369681059.db2.gz XFIBKKIWHFZMPS-MNDMWVCDSA-N 0 3 288.435 3.123 50 0 CGAAHN CN(CCc1ccncc1)Cc1ccc(F)c(F)c1 ZINC000065588657 369683832 /nfs/dbraw/zinc/68/38/32/369683832.db2.gz ZCVIPALPVCVVMU-UHFFFAOYSA-N 0 3 262.303 3.034 50 0 CGAAHN COc1ccc(F)cc1CN[C@H](C)[C@H](C)n1cc(C)cn1 ZINC000069616203 369765395 /nfs/dbraw/zinc/76/53/95/369765395.db2.gz POEPROUTEOXNGF-OLZOCXBDSA-N 0 3 291.370 3.079 50 0 CGAAHN CC(C)(C)[C@@H](NCc1cc(=O)c(O)co1)c1ccccc1 ZINC000069745091 369769085 /nfs/dbraw/zinc/76/90/85/369769085.db2.gz MNHQRDAYSVFRFD-INIZCTEOSA-N 0 3 287.359 3.222 50 0 CGAAHN CC(C)(C)c1cc(CN2CCC(c3ccncc3)CC2)n[nH]1 ZINC000067846722 369732502 /nfs/dbraw/zinc/73/25/02/369732502.db2.gz RXUOMMDQUCUNGN-UHFFFAOYSA-N 0 3 298.434 3.482 50 0 CGAAHN CCC(=O)N1CCCN([C@@H](C)c2cccc(C)c2)CC1 ZINC000072579291 369826173 /nfs/dbraw/zinc/82/61/73/369826173.db2.gz QPPNDOUHTVYPSN-HNNXBMFYSA-N 0 3 274.408 3.000 50 0 CGAAHN CN(Cc1cc2ccccc2o1)C[C@@H]1CCCCO1 ZINC000080068318 369983549 /nfs/dbraw/zinc/98/35/49/369983549.db2.gz XQMJHFSANGEEAP-AWEZNQCLSA-N 0 3 259.349 3.434 50 0 CGAAHN Cc1cccc([C@@H](O)CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521416 370061520 /nfs/dbraw/zinc/06/15/20/370061520.db2.gz RZNLSORPQKBZDN-YOEHRIQHSA-N 0 3 287.407 3.157 50 0 CGAAHN C[C@@H](c1cccnc1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000097109565 370226377 /nfs/dbraw/zinc/22/63/77/370226377.db2.gz RRYYDZMYLCLQFU-HNNXBMFYSA-N 0 3 292.386 3.460 50 0 CGAAHN Fc1ccc(CN2CC(N3CCCCC3)C2)cc1Cl ZINC000097642429 370250021 /nfs/dbraw/zinc/25/00/21/370250021.db2.gz UCZCMIXSIPFOQO-UHFFFAOYSA-N 0 3 282.790 3.149 50 0 CGAAHN CC[C@@H](NC[C@@H]1Cc2ccccc2O1)c1c(C)nn(C)c1C ZINC000095419700 370186989 /nfs/dbraw/zinc/18/69/89/370186989.db2.gz LMSIKJHKZSUSSN-JKSUJKDBSA-N 0 3 299.418 3.081 50 0 CGAAHN Cc1cccc(NC(=O)CCN[C@H](C)c2cccs2)n1 ZINC000095421110 370188487 /nfs/dbraw/zinc/18/84/87/370188487.db2.gz SNSJDZHZNDPDPZ-GFCCVEGCSA-N 0 3 289.404 3.131 50 0 CGAAHN C[C@H](NC[C@@](C)(O)c1cccs1)c1ccccc1F ZINC000095422969 370189661 /nfs/dbraw/zinc/18/96/61/370189661.db2.gz KFDMVZLPCHZXTA-XHDPSFHLSA-N 0 3 279.380 3.446 50 0 CGAAHN C[C@@H](NCCSCC(C)(C)O)c1ccc(F)cc1F ZINC000095422598 370190020 /nfs/dbraw/zinc/19/00/20/370190020.db2.gz IEPNITIMKTXZKR-SNVBAGLBSA-N 0 3 289.391 3.120 50 0 CGAAHN c1ccc([C@H](C[C@H]2CCOC2)NCc2ccccn2)cc1 ZINC000095435737 370192579 /nfs/dbraw/zinc/19/25/79/370192579.db2.gz YLXBSSPLEVCBSU-QAPCUYQASA-N 0 3 282.387 3.339 50 0 CGAAHN CC(C)[C@@H]1CCC[C@@H](NCc2nncn2C2CC2)CC1 ZINC000095434011 370192652 /nfs/dbraw/zinc/19/26/52/370192652.db2.gz YPKFWYZOYDRZBI-ZIAGYGMSSA-N 0 3 276.428 3.308 50 0 CGAAHN CC[C@@H]1CC[C@H](C)N1CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000108160031 370356880 /nfs/dbraw/zinc/35/68/80/370356880.db2.gz UCZMUBNNVLLJJI-ZQDZILKHSA-N 0 3 266.429 3.039 50 0 CGAAHN C[C@@H](COc1ccc(F)cc1)N[C@@H](C)c1cccnc1 ZINC000092740239 541977408 /nfs/dbraw/zinc/97/74/08/541977408.db2.gz ZXXBCWJVCBDXTA-STQMWFEESA-N 0 3 274.339 3.339 50 0 CGAAHN CC(C)(C)OC[C@@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186916994 374938913 /nfs/dbraw/zinc/93/89/13/374938913.db2.gz FHQBIMWRKPABJL-HNNXBMFYSA-N 0 3 297.464 3.104 50 0 CGAAHN Cc1c(-c2cc(CN[C@H]3CCCC3(C)C)on2)cnn1C ZINC000191859702 375669593 /nfs/dbraw/zinc/66/95/93/375669593.db2.gz ZKFWTSFIJXCDJP-HNNXBMFYSA-N 0 3 288.395 3.052 50 0 CGAAHN C[C@H](CCN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000193629896 375901289 /nfs/dbraw/zinc/90/12/89/375901289.db2.gz WPTCUTWPKAVFPU-CQSZACIVSA-N 0 3 257.381 3.046 50 0 CGAAHN C[C@@H]1C[C@@H](NCc2sccc2Cl)C[C@H](C)O1 ZINC000241132886 376776557 /nfs/dbraw/zinc/77/65/57/376776557.db2.gz JMVPNOZEBIXYQU-ILWJIGKKSA-N 0 3 259.802 3.447 50 0 CGAAHN COc1cccc([C@H]2CCCCN2CCn2ccnc2C)c1 ZINC000244811554 376798561 /nfs/dbraw/zinc/79/85/61/376798561.db2.gz SGTFOBQDUYBYDL-GOSISDBHSA-N 0 3 299.418 3.427 50 0 CGAAHN O=C1Nc2ccccc2CC[C@H]1N1CCCCCCC1 ZINC000252496976 377632488 /nfs/dbraw/zinc/63/24/88/377632488.db2.gz PWUYHPPKVWCEAM-MRXNPFEDSA-N 0 3 272.392 3.206 50 0 CGAAHN C[C@@H](c1nc(-c2cscn2)no1)N1[C@H](C)CC[C@@H]1C ZINC000278747913 194135799 /nfs/dbraw/zinc/13/57/99/194135799.db2.gz QWGXLZPBLVVKRZ-AEJSXWLSSA-N 0 3 278.381 3.127 50 0 CGAAHN C[C@@H](NCc1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000096476544 533444746 /nfs/dbraw/zinc/44/47/46/533444746.db2.gz UFPSJVQPUKIPID-CYBMUJFWSA-N 0 3 298.415 3.239 50 0 CGAAHN CC1(C)CO[C@@H](c2cccc(C(F)(F)F)c2)CN1 ZINC000036672995 391976709 /nfs/dbraw/zinc/97/67/09/391976709.db2.gz YBCKMFNWWPEEIS-LLVKDONJSA-N 0 3 259.271 3.145 50 0 CGAAHN C/C=C1\CN2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000071404346 392191790 /nfs/dbraw/zinc/19/17/90/392191790.db2.gz TWRIMOCPODQOBZ-ZAMBRNKVSA-N 0 3 294.398 3.309 50 0 CGAAHN Cc1ccccc1CNCc1cn(C)nc1-c1ccncc1 ZINC000097159728 392260315 /nfs/dbraw/zinc/26/03/15/392260315.db2.gz YHDGPBASKINGHM-UHFFFAOYSA-N 0 3 292.386 3.080 50 0 CGAAHN Cn1c(CN[C@H]2CCCC2(C)C)nnc1-c1ccccc1 ZINC000191300869 392828275 /nfs/dbraw/zinc/82/82/75/392828275.db2.gz SYHMFCRHQWCVSO-AWEZNQCLSA-N 0 3 284.407 3.150 50 0 CGAAHN CC(C)(C)n1cc(CN[C@@H]2CCCCC2(C)C)nn1 ZINC000232511143 393027177 /nfs/dbraw/zinc/02/71/77/393027177.db2.gz INUIHBNGCMNPNK-CYBMUJFWSA-N 0 3 264.417 3.092 50 0 CGAAHN COCC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000093103579 287114552 /nfs/dbraw/zinc/11/45/52/287114552.db2.gz YRJZZJBUDLGRHD-UHFFFAOYSA-N 0 3 289.419 3.259 50 0 CGAAHN C[C@H](O)CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004842613 170028984 /nfs/dbraw/zinc/02/89/84/170028984.db2.gz HECBAGJYBDITHX-JTQLQIEISA-N 0 3 265.740 3.070 50 0 CGAAHN CC(=O)c1ccc(OCCN2C[C@H](C)C[C@H](C)C2)cc1 ZINC000004842802 170029008 /nfs/dbraw/zinc/02/90/08/170029008.db2.gz GUJMBRIMFOMAJZ-OKILXGFUSA-N 0 3 275.392 3.246 50 0 CGAAHN COc1cc(CNCc2cccs2)cc(OC)c1OC ZINC000005019298 170056664 /nfs/dbraw/zinc/05/66/64/170056664.db2.gz FGPFDEZIGQGPRX-UHFFFAOYSA-N 0 3 293.388 3.064 50 0 CGAAHN Fc1ccccc1-c1ccc(CNC[C@@H]2CCCO2)o1 ZINC000006697057 170226715 /nfs/dbraw/zinc/22/67/15/170226715.db2.gz LOBDXHKBHCRMLS-LBPRGKRZSA-N 0 3 275.323 3.354 50 0 CGAAHN Fc1ccccc1-c1ccc(CNC[C@H]2CCCO2)o1 ZINC000006697058 170226898 /nfs/dbraw/zinc/22/68/98/170226898.db2.gz LOBDXHKBHCRMLS-GFCCVEGCSA-N 0 3 275.323 3.354 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1cc(Cl)ccc1F ZINC000009256763 170369053 /nfs/dbraw/zinc/36/90/53/170369053.db2.gz QSVZAODMZPYQAC-UHFFFAOYSA-N 0 3 272.751 3.196 50 0 CGAAHN Cn1nccc1CN1CCCC[C@@H]1CCc1cccs1 ZINC000020451354 171207375 /nfs/dbraw/zinc/20/73/75/171207375.db2.gz IYPPUPQSKVMLLG-CQSZACIVSA-N 0 3 289.448 3.469 50 0 CGAAHN C(=C\c1ccccc1)\CNCc1ccc2c(c1)OCO2 ZINC000033936578 171827431 /nfs/dbraw/zinc/82/74/31/171827431.db2.gz XTUIUIDTYOEITB-DAXSKMNVSA-N 0 3 267.328 3.218 50 0 CGAAHN Cc1ccsc1CNCC(=O)Nc1ccc(C)cc1 ZINC000035287282 172105034 /nfs/dbraw/zinc/10/50/34/172105034.db2.gz QQRFXYUUPRZYNH-UHFFFAOYSA-N 0 3 274.389 3.093 50 0 CGAAHN COc1ccc(CN(C)C)cc1NC(=O)C1CCCCC1 ZINC000040512052 174304953 /nfs/dbraw/zinc/30/49/53/174304953.db2.gz ZTWGHKRQETXXGA-UHFFFAOYSA-N 0 3 290.407 3.276 50 0 CGAAHN Cc1ccccc1-n1nnnc1C(C)(C)NC1CCCCC1 ZINC000046077992 175391733 /nfs/dbraw/zinc/39/17/33/175391733.db2.gz RBKJJVMXOIJQDR-UHFFFAOYSA-N 0 3 299.422 3.128 50 0 CGAAHN COC(=O)c1cc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)cs1 ZINC000071745463 176258429 /nfs/dbraw/zinc/25/84/29/176258429.db2.gz VNCWCMMPWVSUPE-KPWCQOOUSA-N 0 3 291.416 3.013 50 0 CGAAHN C[C@@H](c1cccc(O)c1)N(C)CCc1ccccn1 ZINC000071897186 176292090 /nfs/dbraw/zinc/29/20/90/176292090.db2.gz XDAHKOZKNHHNNK-ZDUSSCGKSA-N 0 3 256.349 3.023 50 0 CGAAHN CCC(CC)(CC(=O)OC)NCc1cccc(F)c1 ZINC000075103632 176659466 /nfs/dbraw/zinc/65/94/66/176659466.db2.gz JWRPBTAGNJWBMM-UHFFFAOYSA-N 0 3 267.344 3.037 50 0 CGAAHN Cc1cccc(CN2CCN(C)c3ccccc3C2)c1 ZINC000078459121 177343199 /nfs/dbraw/zinc/34/31/99/177343199.db2.gz LDQWEOGMXTYKDH-UHFFFAOYSA-N 0 3 266.388 3.447 50 0 CGAAHN CC(C)[C@H](O)[C@@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288535 419738025 /nfs/dbraw/zinc/73/80/25/419738025.db2.gz VLYYESWPIWCQRQ-IKGGRYGDSA-N 0 3 289.419 3.046 50 0 CGAAHN CCN(Cc1cc(CN(C)C)cs1)C[C@@H]1CCCCO1 ZINC000215040370 262338719 /nfs/dbraw/zinc/33/87/19/262338719.db2.gz VOYKAMUZMJEBFQ-HNNXBMFYSA-N 0 3 296.480 3.201 50 0 CGAAHN C[C@@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC000003900114 277537576 /nfs/dbraw/zinc/53/75/76/277537576.db2.gz PZOZCKFFWMPIMK-ORVZXPRGSA-N 0 3 261.409 3.256 50 0 CGAAHN Cc1cccc(C)c1NC(=O)CN[C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527633180 288178820 /nfs/dbraw/zinc/17/88/20/288178820.db2.gz SHAFYLGHNGTKHX-KBMXLJTQSA-N 0 3 286.419 3.266 50 0 CGAAHN NC[C@@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038526551 303393756 /nfs/dbraw/zinc/39/37/56/303393756.db2.gz CJSVPNMXGOFFPB-AWEZNQCLSA-N 0 3 252.789 3.216 50 0 CGAAHN Clc1ccc(C2(N[C@H]3CCCOC3)CC2)cc1 ZINC000534651535 328337280 /nfs/dbraw/zinc/33/72/80/328337280.db2.gz SMLHQVWSLHIRPH-ZDUSSCGKSA-N 0 3 251.757 3.098 50 0 CGAAHN C[C@@H](c1ccncc1)N(C)Cc1ccc2c(c1)CCO2 ZINC000195561905 336056249 /nfs/dbraw/zinc/05/62/49/336056249.db2.gz ZXLCXUHMAFYUAN-ZDUSSCGKSA-N 0 3 268.360 3.210 50 0 CGAAHN Cc1cc(C)n(CC2CCN([C@@H](C)c3cccnc3)CC2)n1 ZINC000084104607 570334944 /nfs/dbraw/zinc/33/49/44/570334944.db2.gz NDBYZZSSVMMSMR-INIZCTEOSA-N 0 3 298.434 3.368 50 0 CGAAHN CCCC[C@@H](N)C(=O)N(Cc1ccc(C)s1)C1CC1 ZINC000952977570 636777315 /nfs/dbraw/zinc/77/73/15/636777315.db2.gz KHOBVKWGVCFIJW-CQSZACIVSA-N 0 3 280.437 3.065 50 0 CGAAHN CCN(Cc1sc(C)nc1C)C[C@H]1CCCCO1 ZINC001506400788 937989458 /nfs/dbraw/zinc/98/94/58/937989458.db2.gz CJKLJCLPYNEQQV-CYBMUJFWSA-N 0 3 268.426 3.151 50 0 CGAAHN Cn1cc(CN(Cc2ccsc2)C2CCCC2)cn1 ZINC001506399078 937989747 /nfs/dbraw/zinc/98/97/47/937989747.db2.gz JRJMLBQMNVHZJL-UHFFFAOYSA-N 0 3 275.421 3.426 50 0 CGAAHN c1cc(CN2C[C@H]3CC[C@H](CN3CC3CC3)C2)cs1 ZINC000095517709 185002824 /nfs/dbraw/zinc/00/28/24/185002824.db2.gz SLVCIJDWZQCTHN-GOEBONIOSA-N 0 3 276.449 3.054 50 0 CGAAHN C[C@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983770 185054345 /nfs/dbraw/zinc/05/43/45/185054345.db2.gz JSQPDEFUONEKJH-SWLSCSKDSA-N 0 3 279.355 3.162 50 0 CGAAHN Cc1nn(C)c(Cl)c1CN[C@H]1CCO[C@@H](CC(C)C)C1 ZINC000095991124 185058482 /nfs/dbraw/zinc/05/84/82/185058482.db2.gz VGEGFDUJGRNSOG-STQMWFEESA-N 0 3 299.846 3.065 50 0 CGAAHN CC(C)c1cc(CN[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000097034533 185156892 /nfs/dbraw/zinc/15/68/92/185156892.db2.gz BVHZRRVVZPWHHA-YUELXQCFSA-N 0 3 278.396 3.091 50 0 CGAAHN Cc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000125669630 187195290 /nfs/dbraw/zinc/19/52/90/187195290.db2.gz GFDLUXJRUPUIKC-UHFFFAOYSA-N 0 3 281.403 3.467 50 0 CGAAHN CCc1ccc([C@@H](C)NC[C@@H](O)c2cccc(OC)c2)o1 ZINC000097016889 529706441 /nfs/dbraw/zinc/70/64/41/529706441.db2.gz TUZHPILDFNZIBB-MLGOLLRUSA-N 0 3 289.375 3.235 50 0 CGAAHN CCN(CC)CCNc1[nH]c(=S)nc2ccccc21 ZINC000000425498 344855171 /nfs/dbraw/zinc/85/51/71/344855171.db2.gz OCRGVHSQOIGXJD-UHFFFAOYSA-N 0 3 276.409 3.046 50 0 CGAAHN CCNC(C)(C)C(=O)c1c(C)n(C)c2ccccc21 ZINC000096027522 345901648 /nfs/dbraw/zinc/90/16/48/345901648.db2.gz KKGPBMCPWMHQBK-UHFFFAOYSA-N 0 3 258.365 3.058 50 0 CGAAHN CCOC(=O)N[C@@H]1CCCN(CCC2CCCCC2)C1 ZINC000170646247 346196183 /nfs/dbraw/zinc/19/61/83/346196183.db2.gz ZUHXKZGISHJAHG-OAHLLOKOSA-N 0 3 282.428 3.167 50 0 CGAAHN FC(F)CN1CCCN([C@@H]2C=CCCCCC2)CC1 ZINC000253394885 346394477 /nfs/dbraw/zinc/39/44/77/346394477.db2.gz ZJIKVAPKMBNTJN-CQSZACIVSA-N 0 3 272.383 3.148 50 0 CGAAHN CCc1nccn1C[C@H](C)NC1(c2ccccc2C)CC1 ZINC000584889716 346722055 /nfs/dbraw/zinc/72/20/55/346722055.db2.gz FUXRPDQOWHUJEV-HNNXBMFYSA-N 0 3 283.419 3.421 50 0 CGAAHN C[C@@H](N)c1ccc(Cl)cc1OCC(F)(F)F ZINC000601014823 347852651 /nfs/dbraw/zinc/85/26/51/347852651.db2.gz VVELNZAEXQZRIA-ZCFIWIBFSA-N 0 3 253.651 3.301 50 0 CGAAHN CC(C)c1cccc(C(=O)N[C@H]2CCN(C(C)(C)C)C2)c1 ZINC000617341549 348949590 /nfs/dbraw/zinc/94/95/90/348949590.db2.gz SZIPRPNHQFGRCL-INIZCTEOSA-N 0 3 288.435 3.413 50 0 CGAAHN CC(C)=CC[C@]1(CO)CCCN(Cc2cccc(C)n2)C1 ZINC000091707919 180230963 /nfs/dbraw/zinc/23/09/63/180230963.db2.gz WLTYXDBTRSUIAJ-GOSISDBHSA-N 0 3 288.435 3.321 50 0 CGAAHN Cn1cncc1CN1CCC(CCc2ccccc2)CC1 ZINC000176996094 189019818 /nfs/dbraw/zinc/01/98/18/189019818.db2.gz XZJYTYQDSNPAML-UHFFFAOYSA-N 0 3 283.419 3.265 50 0 CGAAHN C[C@H]1CCN(CCCn2ccnc2)[C@H](c2ccco2)C1 ZINC000183183365 189349109 /nfs/dbraw/zinc/34/91/09/189349109.db2.gz NUNDUXKGDUPTGV-GJZGRUSLSA-N 0 3 273.380 3.339 50 0 CGAAHN CN1CCC(NC(=O)Nc2cccc(C(C)(F)F)c2)CC1 ZINC000186982884 189456274 /nfs/dbraw/zinc/45/62/74/189456274.db2.gz DRJXFORFTJJMLC-UHFFFAOYSA-N 0 3 297.349 3.014 50 0 CGAAHN O=C(Nc1cccc2ccccc21)N1CCN2CCC[C@H]2C1 ZINC000000215130 368317591 /nfs/dbraw/zinc/31/75/91/368317591.db2.gz OUODWPKDKDIYEI-HNNXBMFYSA-N 0 3 295.386 3.152 50 0 CGAAHN Cc1cccc(C)c1NC(=O)CN1CCCCCC1 ZINC000000214987 368317663 /nfs/dbraw/zinc/31/76/63/368317663.db2.gz RJOUHGWLHPOQSA-UHFFFAOYSA-N 0 3 260.381 3.118 50 0 in-man CGAAHN CSc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000000172215 368308379 /nfs/dbraw/zinc/30/83/79/368308379.db2.gz XGAZJZDLJSKGCA-UHFFFAOYSA-N 0 3 287.384 3.427 50 0 CGAAHN COc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1O ZINC000000189602 368312011 /nfs/dbraw/zinc/31/20/11/368312011.db2.gz RTCKOLLOWGYZCT-QGZVFWFLSA-N 0 3 294.354 3.117 50 0 biogenic CGAAHN Brc1ccc(CNCc2cccnc2)cc1 ZINC000000359781 368346787 /nfs/dbraw/zinc/34/67/87/368346787.db2.gz RQBVNWAMLAQRLY-UHFFFAOYSA-N 0 3 277.165 3.134 50 0 CGAAHN OCCN(Cc1ccccc1)Cc1cccc(Cl)c1 ZINC000000761374 368394733 /nfs/dbraw/zinc/39/47/33/368394733.db2.gz JCLYGGZHAXSCJB-UHFFFAOYSA-N 0 3 275.779 3.335 50 0 CGAAHN CC(C)C[C@H](N)C(=O)Nc1cccc2ccccc21 ZINC000002575108 368466118 /nfs/dbraw/zinc/46/61/18/368466118.db2.gz VLGDNYIGYOVDNV-AWEZNQCLSA-N 0 3 256.349 3.152 50 0 CGAAHN c1ccc(OCCN2c3ccccc3N3CCCN=C23)cc1 ZINC000004549981 368550643 /nfs/dbraw/zinc/55/06/43/368550643.db2.gz YZYGTKSNCLVHBU-UHFFFAOYSA-N 0 3 293.370 3.152 50 0 CGAAHN CC(C)CCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010337475 368579357 /nfs/dbraw/zinc/57/93/57/368579357.db2.gz SAHGPFPFTIWZTB-UHFFFAOYSA-N 0 3 288.435 3.448 50 0 CGAAHN Fc1cccc(CC[C@H]2CCCN(Cc3c[nH]cn3)C2)c1 ZINC000011936597 368600663 /nfs/dbraw/zinc/60/06/63/368600663.db2.gz WRBGXZILUDVGEP-OAHLLOKOSA-N 0 3 287.382 3.394 50 0 CGAAHN Fc1cccc(CC[C@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC000011936597 368600667 /nfs/dbraw/zinc/60/06/67/368600667.db2.gz WRBGXZILUDVGEP-OAHLLOKOSA-N 0 3 287.382 3.394 50 0 CGAAHN CCN1CCC(NC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000017023911 368726574 /nfs/dbraw/zinc/72/65/74/368726574.db2.gz ATIPBEDTLDFXQF-UHFFFAOYSA-N 0 3 295.814 3.254 50 0 CGAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000020102912 368802335 /nfs/dbraw/zinc/80/23/35/368802335.db2.gz XRVOPRVTJLJEMR-OAHLLOKOSA-N 0 3 288.435 3.122 50 0 CGAAHN CCC[C@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000032851011 368948154 /nfs/dbraw/zinc/94/81/54/368948154.db2.gz MUXYFWYYDQWLOH-KRWDZBQOSA-N 0 3 282.387 3.417 50 0 CGAAHN CCC[C@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037031597 369054543 /nfs/dbraw/zinc/05/45/43/369054543.db2.gz ZHISISWWPBYLEY-RYUDHWBXSA-N 0 3 298.839 3.121 50 0 CGAAHN CCN1CCCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000058203363 369558015 /nfs/dbraw/zinc/55/80/15/369558015.db2.gz VBWQKXHMGJXBLB-UHFFFAOYSA-N 0 3 297.402 3.399 50 0 CGAAHN O=C(Nc1ccccc1)NC1CCN([C@H]2C=CCCC2)CC1 ZINC000058427929 369569132 /nfs/dbraw/zinc/56/91/32/369569132.db2.gz RQJUORFMFHHXIL-KRWDZBQOSA-N 0 3 299.418 3.381 50 0 CGAAHN CCc1nc(C)c(CN2CCC(c3ccncc3)CC2)[nH]1 ZINC000065396223 369672908 /nfs/dbraw/zinc/67/29/08/369672908.db2.gz CVXYXVBECRUAKP-UHFFFAOYSA-N 0 3 284.407 3.055 50 0 CGAAHN C[C@@H](Cn1cccn1)NCc1cnc(-c2ccccc2)s1 ZINC000069371328 369758101 /nfs/dbraw/zinc/75/81/01/369758101.db2.gz CKESURYBOIZJNK-ZDUSSCGKSA-N 0 3 298.415 3.185 50 0 CGAAHN Cc1ccc(CNC2CCOCC2)c(OC(C)(C)C)c1 ZINC000084958776 370016520 /nfs/dbraw/zinc/01/65/20/370016520.db2.gz GRTGMJJWKSIEHB-UHFFFAOYSA-N 0 3 277.408 3.441 50 0 CGAAHN Cc1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000088685053 370036984 /nfs/dbraw/zinc/03/69/84/370036984.db2.gz MFQLFQSPNIRQRK-HNAYVOBHSA-N 0 3 295.430 3.000 50 0 CGAAHN Cc1nc2ccccc2c(NCc2ccc(C(N)=O)o2)c1C ZINC000097085985 370223636 /nfs/dbraw/zinc/22/36/36/370223636.db2.gz HRKBKNCVDVXHJF-UHFFFAOYSA-N 0 3 295.342 3.156 50 0 CGAAHN CCNc1ccnc(-c2ccc([C@@H](C)N(C)C)cc2)n1 ZINC000097785642 370254021 /nfs/dbraw/zinc/25/40/21/370254021.db2.gz CSXWJNNISDJDKQ-GFCCVEGCSA-N 0 3 270.380 3.198 50 0 CGAAHN C[C@@H](O)C[C@@H](C)CNCc1sccc1Br ZINC000097378299 370241602 /nfs/dbraw/zinc/24/16/02/370241602.db2.gz GIWIMLQHMVPQJN-RKDXNWHRSA-N 0 3 292.242 3.007 50 0 CGAAHN COCCC1CCN(C/C=C/c2ccc(OC)cc2)CC1 ZINC000097568858 370246800 /nfs/dbraw/zinc/24/68/00/370246800.db2.gz FYLOFXMUXWDYJU-ONEGZZNKSA-N 0 3 289.419 3.457 50 0 CGAAHN COc1ccc([C@@H](C)NCc2ccnn2C)c2ccccc12 ZINC000095420174 370188371 /nfs/dbraw/zinc/18/83/71/370188371.db2.gz NMMWBSSLYDJBBE-CYBMUJFWSA-N 0 3 295.386 3.433 50 0 CGAAHN C[C@H](NC[C@@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423036 370190475 /nfs/dbraw/zinc/19/04/75/370190475.db2.gz GMSVGVDCHZKWLR-XHDPSFHLSA-N 0 3 279.380 3.446 50 0 CGAAHN C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc(O)c1 ZINC000095448890 370195622 /nfs/dbraw/zinc/19/56/22/370195622.db2.gz JVLZGOHPAZSEFI-PXAZEXFGSA-N 0 3 289.350 3.133 50 0 CGAAHN O[C@H]1CCCC[C@@H]1NCc1cc2ccccc2nc1Cl ZINC000095450159 370196481 /nfs/dbraw/zinc/19/64/81/370196481.db2.gz GCEBZCXFKZORBW-GJZGRUSLSA-N 0 3 290.794 3.281 50 0 CGAAHN C[C@H](CC1CC1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095978011 370203411 /nfs/dbraw/zinc/20/34/11/370203411.db2.gz SARBOGBRIHFCJQ-IUODEOHRSA-N 0 3 290.382 3.099 50 0 CGAAHN CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccco2)CC1 ZINC000133512989 371257789 /nfs/dbraw/zinc/25/77/89/371257789.db2.gz QACKVNBOTHNPBW-ZDUSSCGKSA-N 0 3 294.395 3.159 50 0 CGAAHN Cc1nc(C[N@@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cc(=O)[n-]1 ZINC000426414846 372157675 /nfs/dbraw/zinc/15/76/75/372157675.db2.gz XQHPOHVAZUEUMG-MRXNPFEDSA-N 0 3 297.402 3.116 50 0 CGAAHN Cc1nc(C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)cc(=O)[n-]1 ZINC000426414846 372157686 /nfs/dbraw/zinc/15/76/86/372157686.db2.gz XQHPOHVAZUEUMG-MRXNPFEDSA-N 0 3 297.402 3.116 50 0 CGAAHN CC1(C)C[C@@H](O)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000295251827 372718431 /nfs/dbraw/zinc/71/84/31/372718431.db2.gz QHQQQRAFCNEMJH-CWDCEQMOSA-N 0 3 277.383 3.322 50 0 CGAAHN CC(C)[C@@H](C)N1Cc2cccc(NCCn3cccn3)c2C1 ZINC000179828183 373923637 /nfs/dbraw/zinc/92/36/37/373923637.db2.gz OSHUXGVGKOIMKR-OAHLLOKOSA-N 0 3 298.434 3.355 50 0 CGAAHN c1cc(-c2noc(CN3CCC[C@@H]3C3CCC3)n2)co1 ZINC000084618103 541933609 /nfs/dbraw/zinc/93/36/09/541933609.db2.gz OARVAWFFHSJCMR-CYBMUJFWSA-N 0 3 273.336 3.094 50 0 CGAAHN CCC(=O)O[C@@]1(c2ccccc2)CCN(C(C)C)[C@H]1C ZINC000256003427 190001034 /nfs/dbraw/zinc/00/10/34/190001034.db2.gz TZKMUTIJRAEZBG-YOEHRIQHSA-N 0 3 275.392 3.338 50 0 CGAAHN CO[C@H]1CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000216443304 376163498 /nfs/dbraw/zinc/16/34/98/376163498.db2.gz KNLNYZZNCGFBGK-SFHVURJKSA-N 0 3 297.398 3.486 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CNCC2(O)CCC2)o1 ZINC000225392728 376306340 /nfs/dbraw/zinc/30/63/40/376306340.db2.gz BRVYJTRXMFMUDV-UHFFFAOYSA-N 0 3 289.350 3.399 50 0 CGAAHN Cc1nc(CCN(C)[C@@H](C)Cc2cc(C)ccn2)cs1 ZINC000243914710 376788623 /nfs/dbraw/zinc/78/86/23/376788623.db2.gz BJUSJYQEVWFHPN-ZDUSSCGKSA-N 0 3 289.448 3.260 50 0 CGAAHN COCCn1cncc1CN1CCC[C@@H]1c1ccccc1C ZINC000244626563 376793030 /nfs/dbraw/zinc/79/30/30/376793030.db2.gz FNWMGBWXBQSTMT-GOSISDBHSA-N 0 3 299.418 3.175 50 0 CGAAHN Clc1ccccc1[C@@H]1CCN(CCc2cn[nH]c2)C1 ZINC000252509516 377635786 /nfs/dbraw/zinc/63/57/86/377635786.db2.gz YOXXUYIGCXPSRK-CYBMUJFWSA-N 0 3 275.783 3.095 50 0 CGAAHN C[C@@H]1CCN(C)CCN1C(=O)Nc1ccc(Cl)cc1F ZINC000253415712 377689742 /nfs/dbraw/zinc/68/97/42/377689742.db2.gz LJFUKPOCQBRAHS-SNVBAGLBSA-N 0 3 299.777 3.037 50 0 CGAAHN CCc1nsc(N(CCN2CCCCCC2)C(C)C)n1 ZINC000253418889 377691059 /nfs/dbraw/zinc/69/10/59/377691059.db2.gz CZAPJANNKUBBOC-UHFFFAOYSA-N 0 3 296.484 3.191 50 0 CGAAHN Cc1nccn1CCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000253369872 377686633 /nfs/dbraw/zinc/68/66/33/377686633.db2.gz JGJFVNHVMBJDEL-QAPCUYQASA-N 0 3 299.418 3.044 50 0 CGAAHN CC(=O)N1CCC2(CN(C(C)C)[C@H]2c2ccccc2)CC1 ZINC000257182739 377794540 /nfs/dbraw/zinc/79/45/40/377794540.db2.gz QAMZARUTAYTUGH-KRWDZBQOSA-N 0 3 286.419 3.080 50 0 CGAAHN CCn1nc(CN[C@H](C)CC(C)(C)OC)c2ccccc21 ZINC000274380830 378822429 /nfs/dbraw/zinc/82/24/29/378822429.db2.gz AICFDUGYQFYWML-CYBMUJFWSA-N 0 3 289.423 3.349 50 0 CGAAHN C/C=C/C=C\C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000096414014 256765316 /nfs/dbraw/zinc/76/53/16/256765316.db2.gz YQFYORBMZQDAFD-MDAAKZFYSA-N 0 3 288.391 3.006 50 0 CGAAHN NC(=O)c1csc(CN2CCCC[C@H]2C2CCC2)c1 ZINC000585089220 542768583 /nfs/dbraw/zinc/76/85/83/542768583.db2.gz HFCSXPSKACCHAS-AWEZNQCLSA-N 0 3 278.421 3.002 50 0 CGAAHN CC[C@@H](C)c1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000020059618 397604966 /nfs/dbraw/zinc/60/49/66/397604966.db2.gz GKPDODWZETYLMS-MRXNPFEDSA-N 0 3 290.451 3.216 50 0 CGAAHN COCCCNc1c2c(nc3ccccc31)CCC2 ZINC000004135401 169937133 /nfs/dbraw/zinc/93/71/33/169937133.db2.gz DFVWQIIXQRFDOU-UHFFFAOYSA-N 0 3 256.349 3.172 50 0 CGAAHN CN(C(=O)Nc1cccc2ccccc21)C1CCN(C)CC1 ZINC000004856446 170030898 /nfs/dbraw/zinc/03/08/98/170030898.db2.gz INJMSHREBMRQLQ-UHFFFAOYSA-N 0 3 297.402 3.398 50 0 CGAAHN Cc1ccc(-c2ccc(CNC[C@H](C)O)o2)cc1Cl ZINC000004999758 170052648 /nfs/dbraw/zinc/05/26/48/170052648.db2.gz HARWUSPYBDEJOJ-NSHDSACASA-N 0 3 279.767 3.379 50 0 CGAAHN CN(C)C/C=C\CC(O)(c1ccccc1)c1ccccc1 ZINC000005791976 170140641 /nfs/dbraw/zinc/14/06/41/170140641.db2.gz FCBWZHSHIBUKKP-KTKRTIGZSA-N 0 3 281.399 3.430 50 0 CGAAHN Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN(C)C ZINC000008717962 170349219 /nfs/dbraw/zinc/34/92/19/170349219.db2.gz JWCLNUFGJNQCBL-UHFFFAOYSA-N 0 3 288.391 3.345 50 0 CGAAHN C[C@@H](NCCCn1ccnc1)c1ccccc1Cl ZINC000020360996 171159145 /nfs/dbraw/zinc/15/91/45/171159145.db2.gz GIAHCGUCBZLYHK-GFCCVEGCSA-N 0 3 263.772 3.277 50 0 CGAAHN COc1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000022924291 171403492 /nfs/dbraw/zinc/40/34/92/171403492.db2.gz VGMWHPYDEMCXHY-UHFFFAOYSA-N 0 3 288.435 3.146 50 0 CGAAHN C[C@H](NC(=O)c1ccccc1)[C@H](c1ccccc1)N(C)C ZINC000035587968 172287077 /nfs/dbraw/zinc/28/70/77/172287077.db2.gz BSEBOXRPIWDTLS-WMLDXEAASA-N 0 3 282.387 3.108 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@H](NCc2cscn2)C1 ZINC000071857564 176278910 /nfs/dbraw/zinc/27/89/10/176278910.db2.gz KTSBNYMMGPYILQ-HIFRSBDPSA-N 0 3 287.432 3.068 50 0 CGAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000071870365 176283028 /nfs/dbraw/zinc/28/30/28/176283028.db2.gz NOQBNFYRLHFTQI-CABCVRRESA-N 0 3 298.386 3.132 50 0 CGAAHN Cc1cccc(CN2CCC([C@H](O)CC(C)C)CC2)n1 ZINC000077453846 177270701 /nfs/dbraw/zinc/27/07/01/177270701.db2.gz RZXARYCEPJJREB-QGZVFWFLSA-N 0 3 276.424 3.009 50 0 CGAAHN CO[C@@H](CN[C@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315987 419757608 /nfs/dbraw/zinc/75/76/08/419757608.db2.gz ONGPJCZSGROHHD-WBMJQRKESA-N 0 3 263.381 3.248 50 0 CGAAHN CC[C@@H](O)CN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102180 260035491 /nfs/dbraw/zinc/03/54/91/260035491.db2.gz BBVVAVOBSZAPSG-GOSISDBHSA-N 0 3 299.414 3.468 50 0 CGAAHN CSc1ccc2c(c1)CCN(C[C@@H]1CCCOC1)C2 ZINC000244724277 278174905 /nfs/dbraw/zinc/17/49/05/278174905.db2.gz MRAREYAXZDHHDH-ZDUSSCGKSA-N 0 3 277.433 3.193 50 0 CGAAHN Cc1nc(-c2ccccc2)sc1-c1nc2c([nH]1)CNCC2 ZINC000095389223 281805277 /nfs/dbraw/zinc/80/52/77/281805277.db2.gz NGNPSMIPXXEBQL-UHFFFAOYSA-N 0 3 296.399 3.154 50 0 CGAAHN Fc1ccc([C@@H]2CNC[C@@H](c3ccccc3)O2)cc1 ZINC000035285267 294746766 /nfs/dbraw/zinc/74/67/66/294746766.db2.gz ARMWCMRIECSWLI-HOTGVXAUSA-N 0 3 257.308 3.228 50 0 CGAAHN Cc1c[nH]c([C@H](C)NC2CCN(c3ccc(C)cc3)CC2)n1 ZINC000534637887 328334480 /nfs/dbraw/zinc/33/44/80/328334480.db2.gz XHLXQLDTBMSNRP-HNNXBMFYSA-N 0 3 298.434 3.346 50 0 CGAAHN COc1ccc2oc(CNCCC(F)(F)F)cc2c1 ZINC000097230204 329526903 /nfs/dbraw/zinc/52/69/03/329526903.db2.gz MHVIMEFERBAFRU-UHFFFAOYSA-N 0 3 273.254 3.483 50 0 CGAAHN C[C@@H]1CCCC[C@@H]1NCc1nnc(-c2ccccc2)n1C ZINC000162327438 329528660 /nfs/dbraw/zinc/52/86/60/329528660.db2.gz WMHWICNFRGYRJE-HIFRSBDPSA-N 0 3 284.407 3.150 50 0 CGAAHN Cc1nc2n(n1)CCC[C@@H]2NC[C@H]1C(C)=CCC[C@@H]1C ZINC000195568506 336056333 /nfs/dbraw/zinc/05/63/33/336056333.db2.gz MEKGLWAGQJWWNX-QEJZJMRPSA-N 0 3 274.412 3.003 50 0 CGAAHN CO[C@@H](CNCc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000058217743 500827163 /nfs/dbraw/zinc/82/71/63/500827163.db2.gz RUFRTSQBZKMYFG-SFHVURJKSA-N 0 3 298.386 3.122 50 0 CGAAHN CCCN(Cc1cc(OC)c(OC)cc1OC)CC1CC1 ZINC000004987020 521681872 /nfs/dbraw/zinc/68/18/72/521681872.db2.gz MXYQDHYSUQTQCF-UHFFFAOYSA-N 0 3 293.407 3.334 50 0 CGAAHN OCCCN1CCc2sccc2[C@@H]1c1ccccc1 ZINC000052685557 527541215 /nfs/dbraw/zinc/54/12/15/527541215.db2.gz SPGMUQVYNVHRCW-INIZCTEOSA-N 0 3 273.401 3.078 50 0 CGAAHN CCCO[C@@H]1CCCN(Cc2cccc3c2OCO3)CC1 ZINC000093316974 640768147 /nfs/dbraw/zinc/76/81/47/640768147.db2.gz SHSNATJEKMYWNU-OAHLLOKOSA-N 0 3 291.391 3.196 50 0 CGAAHN CCn1nc([C@@H]2CCCCN2CC(C)C)c2c1CCOC2 ZINC000675009955 799730556 /nfs/dbraw/zinc/73/05/56/799730556.db2.gz BMBYMQCLPSJFEX-INIZCTEOSA-N 0 3 291.439 3.159 50 0 CGAAHN CC/C=C(/CN[C@@H]1CC(=O)N(CCC)C1)c1ccccc1 ZINC000952873503 800686385 /nfs/dbraw/zinc/68/63/85/800686385.db2.gz ZSGCMVNYIWMZFI-QOTSWMAJSA-N 0 3 286.419 3.081 50 0 CGAAHN C[C@H](NC[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000095968321 185046403 /nfs/dbraw/zinc/04/64/03/185046403.db2.gz HXKKLJSLPCJYGV-DZGCQCFKSA-N 0 3 259.349 3.096 50 0 CGAAHN Cc1ncccc1CN[C@H](C)C[C@H](O)c1cccs1 ZINC000095978243 185051622 /nfs/dbraw/zinc/05/16/22/185051622.db2.gz FDLKLJAFARQBQP-RISCZKNCSA-N 0 3 276.405 3.053 50 0 CGAAHN CC(C)(O)[C@@H]1CCCN1Cc1cccc(Br)c1 ZINC000095995357 185059945 /nfs/dbraw/zinc/05/99/45/185059945.db2.gz QCZPHPVHKVDDBE-ZDUSSCGKSA-N 0 3 298.224 3.184 50 0 CGAAHN CN(C)C[C@@H](Cc1ccccc1)OCc1ccccc1 ZINC000006792002 344866112 /nfs/dbraw/zinc/86/61/12/344866112.db2.gz WRDPUTZTYUMCIK-GOSISDBHSA-N 0 3 269.388 3.376 50 0 CGAAHN CCC[C@@](C)(CO)NCc1c(F)cccc1N1CCCC1 ZINC000076017848 345531081 /nfs/dbraw/zinc/53/10/81/345531081.db2.gz XVUYVICYASQODQ-KRWDZBQOSA-N 0 3 294.414 3.067 50 0 CGAAHN Cc1ccc(CNCc2cccc(N(C)C)c2)s1 ZINC000078757937 345621400 /nfs/dbraw/zinc/62/14/00/345621400.db2.gz VWLDDBFMEXLGDD-UHFFFAOYSA-N 0 3 260.406 3.412 50 0 CGAAHN Cc1ccc([C@H]2OCCC[C@@H]2NCc2ccncc2)cc1 ZINC000081197927 345701200 /nfs/dbraw/zinc/70/12/00/345701200.db2.gz YPXSQHUOJXMENA-ZWKOTPCHSA-N 0 3 282.387 3.400 50 0 CGAAHN c1ncc(CN[C@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000157431236 346161468 /nfs/dbraw/zinc/16/14/68/346161468.db2.gz AGLDJQDUQNWWST-DZGCQCFKSA-N 0 3 274.389 3.153 50 0 CGAAHN C[C@H](N[C@@H]1CCCC[C@@H]1n1cccn1)c1cccc(O)c1 ZINC000194906763 346272473 /nfs/dbraw/zinc/27/24/73/346272473.db2.gz UELHZBBJIYDFML-XKQJLSEDSA-N 0 3 285.391 3.423 50 0 CGAAHN Cc1cccc(CN[C@H](C)c2cc[nH]c(=O)c2)c1C ZINC000339459552 215187169 /nfs/dbraw/zinc/18/71/69/215187169.db2.gz AJCZPRPWFDJIHG-CYBMUJFWSA-N 0 3 256.349 3.255 50 0 CGAAHN C[C@@H]1CN(C/C=C/c2ccc(F)cc2)CC[C@@]1(O)C1CC1 ZINC000091656336 180217998 /nfs/dbraw/zinc/21/79/98/180217998.db2.gz LOTFCMFLLMKMFL-RNYZBBNUSA-N 0 3 289.394 3.322 50 0 CGAAHN CC(C)c1csc(CNC2CCC3(CC2)OCCO3)n1 ZINC000156396478 188260356 /nfs/dbraw/zinc/26/03/56/188260356.db2.gz WFQPJZHRVQVXQG-UHFFFAOYSA-N 0 3 296.436 3.042 50 0 CGAAHN c1[nH]nc2cc(CN3CC[C@H](Nc4ccccc4)C3)ccc12 ZINC000127075308 138388172 /nfs/dbraw/zinc/38/81/72/138388172.db2.gz GXIXVGFHVHXLHJ-KRWDZBQOSA-N 0 3 292.386 3.249 50 0 CGAAHN C[C@@H](NCCC(=O)NCc1ccccc1)c1ccsc1 ZINC000178254976 189100949 /nfs/dbraw/zinc/10/09/49/189100949.db2.gz SXNJJTXPHLSVQA-CYBMUJFWSA-N 0 3 288.416 3.105 50 0 CGAAHN COc1cccc(CN(C)C[C@@H](C)c2nccs2)c1 ZINC000183971403 189373146 /nfs/dbraw/zinc/37/31/46/189373146.db2.gz GQRXTOPJHGCZHP-GFCCVEGCSA-N 0 3 276.405 3.387 50 0 CGAAHN CSc1ccc(CN2CCCC[C@H]2CCO)cc1 ZINC000000210802 368317768 /nfs/dbraw/zinc/31/77/68/368317768.db2.gz NKCAJGNHLGGVSH-AWEZNQCLSA-N 0 3 265.422 3.145 50 0 CGAAHN COc1ccc([C@@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000006016 368269816 /nfs/dbraw/zinc/26/98/16/368269816.db2.gz PNVNVHUZROJLTJ-MRXNPFEDSA-N 0 3 277.408 3.036 50 0 fda CGAAHN Cc1c(C)n(C[C@H](O)CNCc2ccco2)c2ccccc12 ZINC000000086824 368285399 /nfs/dbraw/zinc/28/53/99/368285399.db2.gz ATYFJNBTKOAQSM-OAHLLOKOSA-N 0 3 298.386 3.002 50 0 CGAAHN Cc1ccccc1CNCc1ccc2c(c1)OCO2 ZINC000000267284 368328221 /nfs/dbraw/zinc/32/82/21/368328221.db2.gz MQTJXAAFBZGISI-UHFFFAOYSA-N 0 3 255.317 3.014 50 0 CGAAHN CN1CCCC[C@@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518488 368383137 /nfs/dbraw/zinc/38/31/37/368383137.db2.gz TZRDBHMKTWECOV-MRXNPFEDSA-N 0 3 253.349 3.300 50 0 biogenic,in-vitro CGAAHN COc1cc(CN(C)Cc2ccccc2)cc(OC)c1O ZINC000003379145 368505452 /nfs/dbraw/zinc/50/54/52/368505452.db2.gz GJDUWIZZYNPHPM-UHFFFAOYSA-N 0 3 287.359 3.041 50 0 CGAAHN Cc1cc(C)c(OCCOCCN2CCCCC2)c(C)c1 ZINC000002896334 368483571 /nfs/dbraw/zinc/48/35/71/368483571.db2.gz KHYVGYGIVJUJTR-UHFFFAOYSA-N 0 3 291.435 3.493 50 0 CGAAHN O=C(CNC1CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003440615 368507466 /nfs/dbraw/zinc/50/74/66/368507466.db2.gz GGJSLITUBLNHBO-UHFFFAOYSA-N 0 3 292.688 3.049 50 0 CGAAHN C[C@H](CN(C)C)OC(=O)c1ccc(Cl)cc1Cl ZINC000004776108 368558255 /nfs/dbraw/zinc/55/82/55/368558255.db2.gz CVCZHQBRAFHFAW-MRVPVSSYSA-N 0 3 276.163 3.100 50 0 CGAAHN C[C@H](CNC(=O)Nc1cccc(F)c1)N1CCC(C)CC1 ZINC000012223551 368606634 /nfs/dbraw/zinc/60/66/34/368606634.db2.gz XZVOPYDVTLYHBW-CYBMUJFWSA-N 0 3 293.386 3.068 50 0 CGAAHN Cc1cccc(NC(=O)NC[C@H](CC(C)C)N(C)C)c1 ZINC000012762546 368624859 /nfs/dbraw/zinc/62/48/59/368624859.db2.gz ZSRQMZWGLFRFSL-HNNXBMFYSA-N 0 3 277.412 3.093 50 0 CGAAHN Cc1cccc(NC(=O)NC[C@@H](CC(C)C)N(C)C)c1 ZINC000012762552 368625120 /nfs/dbraw/zinc/62/51/20/368625120.db2.gz ZSRQMZWGLFRFSL-OAHLLOKOSA-N 0 3 277.412 3.093 50 0 CGAAHN C[C@H](c1ccccc1)[C@@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000013510703 368655732 /nfs/dbraw/zinc/65/57/32/368655732.db2.gz ODYIWFSYHAIAAO-DJIMGWMZSA-N 0 3 275.392 3.018 50 0 CGAAHN CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(C)CC1 ZINC000015073809 368689029 /nfs/dbraw/zinc/68/90/29/368689029.db2.gz AYDJPSOWJROTCR-UHFFFAOYSA-N 0 3 295.810 3.158 50 0 CGAAHN CC[C@H](C)NCc1cc(Br)ccc1F ZINC000019881816 368776247 /nfs/dbraw/zinc/77/62/47/368776247.db2.gz YVKIPUPGMBCHAL-QMMMGPOBSA-N 0 3 260.150 3.476 50 0 CGAAHN Cc1ccc(NC(=O)NC[C@H](CC(C)C)N(C)C)cc1 ZINC000024774587 368836131 /nfs/dbraw/zinc/83/61/31/368836131.db2.gz XNLRDWIVJBFPEN-HNNXBMFYSA-N 0 3 277.412 3.093 50 0 CGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cccc(O)c1 ZINC000020033351 368794557 /nfs/dbraw/zinc/79/45/57/368794557.db2.gz BPHFSKBWRHOQHL-KRWDZBQOSA-N 0 3 294.354 3.117 50 0 biogenic CGAAHN CSC[C@@H](C)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000032523717 368933872 /nfs/dbraw/zinc/93/38/72/368933872.db2.gz CZDBRLYWNRXTNG-UKRRQHHQSA-N 0 3 277.433 3.333 50 0 CGAAHN Cc1ccc(CN(CC(C)C)C[C@@H](O)COCC(C)C)o1 ZINC000036097525 369009552 /nfs/dbraw/zinc/00/95/52/369009552.db2.gz HFFDBLOSBPQUQP-MRXNPFEDSA-N 0 3 297.439 3.080 50 0 CGAAHN COc1ccc(-c2nc(C)sc2CN)cc1Cl ZINC000036174445 369012834 /nfs/dbraw/zinc/01/28/34/369012834.db2.gz WJOKBXYJKHKETM-UHFFFAOYSA-N 0 3 268.769 3.239 50 0 CGAAHN c1cc(CN[C@@H]2CCCN(C3Cc4ccccc4C3)C2)co1 ZINC000039393354 369150157 /nfs/dbraw/zinc/15/01/57/369150157.db2.gz AEXARQCLUBEQFW-GOSISDBHSA-N 0 3 296.414 3.001 50 0 CGAAHN COc1ccc(Br)cc1CN(C)C(C)C ZINC000042211299 369204220 /nfs/dbraw/zinc/20/42/20/369204220.db2.gz RJCRGIZWYVHVJI-UHFFFAOYSA-N 0 3 272.186 3.298 50 0 CGAAHN C[C@@H]1C[C@H](C)CN(CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000048482605 369355625 /nfs/dbraw/zinc/35/56/25/369355625.db2.gz SLQFVDJIELOVDC-BETUJISGSA-N 0 3 294.826 3.048 50 0 CGAAHN C[C@@H](NCc1cccc(O)c1)c1ccc(-n2ccnc2)cc1 ZINC000058280738 369561708 /nfs/dbraw/zinc/56/17/08/369561708.db2.gz PAZPKJIKIKVPPM-CQSZACIVSA-N 0 3 293.370 3.429 50 0 CGAAHN Cc1cc(C)n([C@@H]2CCN(Cc3ccsc3)C2)n1 ZINC000065494142 369678806 /nfs/dbraw/zinc/67/88/06/369678806.db2.gz NJEIJSPWPDQUIC-CQSZACIVSA-N 0 3 261.394 3.008 50 0 CGAAHN Cc1noc(C)c1CN1CC[C@@H](c2ccccc2)C1 ZINC000065541453 369682478 /nfs/dbraw/zinc/68/24/78/369682478.db2.gz XCXIINJWKAQNRU-OAHLLOKOSA-N 0 3 256.349 3.281 50 0 CGAAHN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCCC1 ZINC000069586645 369764841 /nfs/dbraw/zinc/76/48/41/369764841.db2.gz FJMOVLNXNKADLS-ZDUSSCGKSA-N 0 3 294.826 3.221 50 0 CGAAHN C[C@H](c1ccccn1)N(C)Cc1ccc(-n2ccnc2)cc1 ZINC000067694515 369725747 /nfs/dbraw/zinc/72/57/47/369725747.db2.gz FQPNLLFYDDGFRY-OAHLLOKOSA-N 0 3 292.386 3.460 50 0 CGAAHN COc1ccc(C)cc1[C@@H](C)NCC1=CCCOC1 ZINC000078998870 369958225 /nfs/dbraw/zinc/95/82/25/369958225.db2.gz AHSGFDSWGWNSKH-CYBMUJFWSA-N 0 3 261.365 3.001 50 0 CGAAHN Cc1noc(C)c1CN1CCC[C@H]1COc1ccccc1 ZINC000079090867 369963638 /nfs/dbraw/zinc/96/36/38/369963638.db2.gz YTEJQNLNDCYYMP-HNNXBMFYSA-N 0 3 286.375 3.335 50 0 CGAAHN c1ccc([C@H](CN2CCCCC2)NCc2ccncc2)cc1 ZINC000075943912 369921916 /nfs/dbraw/zinc/92/19/16/369921916.db2.gz CQWROOYBRUOBIU-IBGZPJMESA-N 0 3 295.430 3.398 50 0 CGAAHN CC(=O)Nc1cccc([C@@H](C)N[C@@H]2C=CCCC2)c1 ZINC000090393090 370060822 /nfs/dbraw/zinc/06/08/22/370060822.db2.gz DNXKNOODCZUJDD-IUODEOHRSA-N 0 3 258.365 3.404 50 0 CGAAHN C[C@H](CN(C)Cc1ccc(CO)o1)c1ccccc1 ZINC000093008974 370105437 /nfs/dbraw/zinc/10/54/37/370105437.db2.gz XLIUZENKDPCIRR-CYBMUJFWSA-N 0 3 259.349 3.007 50 0 CGAAHN CC1=CCC[C@H](C)[C@H]1CNCc1nccn1C(F)F ZINC000097098536 370225089 /nfs/dbraw/zinc/22/50/89/370225089.db2.gz FJIWBWQJRIOODX-RYUDHWBXSA-N 0 3 269.339 3.360 50 0 CGAAHN C[C@@H](c1cccc(F)c1)N1CCC(c2cnn(C)c2)CC1 ZINC000097203247 370232815 /nfs/dbraw/zinc/23/28/15/370232815.db2.gz HPHIBCYGRSESCC-ZDUSSCGKSA-N 0 3 287.382 3.500 50 0 CGAAHN C[C@H](Cc1cnccn1)N(C)C/C=C/c1ccc(F)cc1 ZINC000097244099 370236762 /nfs/dbraw/zinc/23/67/62/370236762.db2.gz TYGFHYBCNGRVBN-RDFMZFSFSA-N 0 3 285.366 3.192 50 0 CGAAHN CN(Cc1cnc2ccccc2n1)C[C@H]1CCOC(C)(C)C1 ZINC000097713665 370251748 /nfs/dbraw/zinc/25/17/48/370251748.db2.gz FLWYDDKBZNBSTR-AWEZNQCLSA-N 0 3 299.418 3.267 50 0 CGAAHN CSc1ccc([C@H](C)N[C@H]2CCCOC2)cc1 ZINC000112793496 370451748 /nfs/dbraw/zinc/45/17/48/370451748.db2.gz JNXOTQCGVSKNBD-AAEUAGOBSA-N 0 3 251.395 3.238 50 0 CGAAHN CC(C)[C@H](NC[C@H](C)O)c1ccc(Cl)cc1F ZINC000170073200 372634351 /nfs/dbraw/zinc/63/43/51/372634351.db2.gz GJKJGKPHHRXXPV-ZANVPECISA-N 0 3 259.752 3.147 50 0 CGAAHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1cccc(Cl)c1F ZINC000185988181 374780938 /nfs/dbraw/zinc/78/09/38/374780938.db2.gz AQGUZCFLNDDHSG-BMKPQVEQSA-N 0 3 291.819 3.287 50 0 CGAAHN Cc1cnc([C@H]2CCCN(Cc3ccncc3)C2)s1 ZINC000095401530 541991488 /nfs/dbraw/zinc/99/14/88/541991488.db2.gz JAZNJYYUXJEOPK-AWEZNQCLSA-N 0 3 273.405 3.226 50 0 CGAAHN C[C@@H](CN[C@@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082198 375155860 /nfs/dbraw/zinc/15/58/60/375155860.db2.gz LGBZOIAZSNBIPU-SMDDNHRTSA-N 0 3 290.798 3.160 50 0 CGAAHN C[C@@H](NCc1nc2ccccc2n1C1CC1)C1CC1 ZINC000191494588 375635405 /nfs/dbraw/zinc/63/54/05/375635405.db2.gz FHOVOIUDPHHDGW-LLVKDONJSA-N 0 3 255.365 3.259 50 0 CGAAHN Cc1cnc(CSCCN(C)Cc2ccccc2)o1 ZINC000193619691 375897544 /nfs/dbraw/zinc/89/75/44/375897544.db2.gz FGBIILWGFZKMGH-UHFFFAOYSA-N 0 3 276.405 3.348 50 0 CGAAHN COc1ccc(/C=C/CN2CCC[C@@H](CCCO)C2)cc1 ZINC000215646164 376150640 /nfs/dbraw/zinc/15/06/40/376150640.db2.gz MFHFVLIQAIWEIX-RTZWDOBSSA-N 0 3 289.419 3.193 50 0 CGAAHN C[C@H](N[C@H]1CCCC[C@H]1OC1CCCC1)c1cnccn1 ZINC000252486564 377629042 /nfs/dbraw/zinc/62/90/42/377629042.db2.gz LMVASRNFRZVCKW-JLJPHGGASA-N 0 3 289.423 3.398 50 0 CGAAHN Clc1ccc(CCCCNCc2ncc[nH]2)s1 ZINC000283797095 380090719 /nfs/dbraw/zinc/09/07/19/380090719.db2.gz AZFJSEGZDCSAIU-UHFFFAOYSA-N 0 3 269.801 3.237 50 0 CGAAHN COc1ccc([C@H](CN(C)C)NCc2ccsc2)cc1 ZINC000284139421 380128884 /nfs/dbraw/zinc/12/88/84/380128884.db2.gz UYBXUQVKGYLNOL-INIZCTEOSA-N 0 3 290.432 3.149 50 0 CGAAHN C[C@@H](CN1CCCCC1)OC(=O)c1cc2ccccc2o1 ZINC000000375719 169622592 /nfs/dbraw/zinc/62/25/92/169622592.db2.gz OWDXBQVUGZSYIG-ZDUSSCGKSA-N 0 3 287.359 3.464 50 0 CGAAHN COc1ccc(OC)c(-c2cncc(CN3CCCC3)c2)c1 ZINC000037553731 184540021 /nfs/dbraw/zinc/54/00/21/184540021.db2.gz BNKCBSLZNFPNRE-UHFFFAOYSA-N 0 3 298.386 3.362 50 0 CGAAHN CCOC(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 ZINC000000757274 169677826 /nfs/dbraw/zinc/67/78/26/169677826.db2.gz WTKZLMHFHCIAGK-CQSZACIVSA-N 0 3 275.392 3.065 50 0 CGAAHN C[C@@H](CN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000023281383 391945541 /nfs/dbraw/zinc/94/55/41/391945541.db2.gz CHMLYWDFDMYPAW-INIZCTEOSA-N 0 3 281.403 3.007 50 0 CGAAHN CC(C)CN1CCN(c2cccc(Cl)c2)CC1 ZINC000028764151 391954476 /nfs/dbraw/zinc/95/44/76/391954476.db2.gz QGAZBTYKWVWJEF-UHFFFAOYSA-N 0 3 252.789 3.118 50 0 CGAAHN Cc1n[nH]c(C)c1CN[C@H]1CCCc2ccccc21 ZINC000036864706 391976833 /nfs/dbraw/zinc/97/68/33/391976833.db2.gz MEGIAAGSKOWZHH-INIZCTEOSA-N 0 3 255.365 3.194 50 0 CGAAHN C/C=C/C=C/C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000096414016 392251247 /nfs/dbraw/zinc/25/12/47/392251247.db2.gz YQFYORBMZQDAFD-BSWSSELBSA-N 0 3 288.391 3.006 50 0 CGAAHN CCc1ccc(CN(C)CC[C@@H]2CCCCO2)o1 ZINC000215240623 392986828 /nfs/dbraw/zinc/98/68/28/392986828.db2.gz HNGQCACYSCHIDV-AWEZNQCLSA-N 0 3 251.370 3.233 50 0 CGAAHN c1ccc(Sc2ccccc2N2CCNCC2)cc1 ZINC000083517759 135026676 /nfs/dbraw/zinc/02/66/76/135026676.db2.gz ZHSLKEYCKRMUKN-UHFFFAOYSA-N 0 3 270.401 3.247 50 0 CGAAHN CN(CC[C@@H]1CCOC1)Cc1ccc2ccccc2n1 ZINC000670467170 543156393 /nfs/dbraw/zinc/15/63/93/543156393.db2.gz CMDMCKLEUHYVHJ-CQSZACIVSA-N 0 3 270.376 3.093 50 0 CGAAHN Clc1cccc(CNC[C@H]2CCCO2)c1Cl ZINC000005019367 170056425 /nfs/dbraw/zinc/05/64/25/170056425.db2.gz OWBZUMFNTRZPAU-SNVBAGLBSA-N 0 3 260.164 3.262 50 0 CGAAHN CCc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000005908904 170153743 /nfs/dbraw/zinc/15/37/43/170153743.db2.gz YPZWNJUKRILYCT-YJBOKZPZSA-N 0 3 299.414 3.340 50 0 CGAAHN CC(=O)Nc1cccc([C@H](C)NCc2ccccc2)c1 ZINC000009156370 170365071 /nfs/dbraw/zinc/36/50/71/170365071.db2.gz GRSKKSLBFJIIMQ-ZDUSSCGKSA-N 0 3 268.360 3.496 50 0 CGAAHN OCC[C@H]1CCCCN1CCc1ccc(F)cc1Cl ZINC000020450642 171207400 /nfs/dbraw/zinc/20/74/00/171207400.db2.gz JGSWXUNNSZXZBX-CQSZACIVSA-N 0 3 285.790 3.259 50 0 CGAAHN Cc1ccccc1N1CCCN(Cc2ccccn2)CC1 ZINC000072149246 176326316 /nfs/dbraw/zinc/32/63/16/176326316.db2.gz KURMHMMKVUGKMZ-UHFFFAOYSA-N 0 3 281.403 3.102 50 0 CGAAHN Cc1c(CNCc2ccoc2)sc2nc(C)nc(C)c12 ZINC000048234797 416446300 /nfs/dbraw/zinc/44/63/00/416446300.db2.gz ZNYAQBOOAOGFCO-UHFFFAOYSA-N 0 3 287.388 3.499 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@H](C)C1 ZINC000004094085 278509063 /nfs/dbraw/zinc/50/90/63/278509063.db2.gz FTLAMGAOAHIHBM-BQJWPVKWSA-N 0 3 279.424 3.062 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@@H](c1ccccc1Cl)NCC2 ZINC000004951404 304843874 /nfs/dbraw/zinc/84/38/74/304843874.db2.gz XONMKCZCHUOWRT-CFVMTHIKSA-N 0 3 265.784 3.296 50 0 CGAAHN Clc1cccc(C2(N[C@@H]3CCCOC3)CC2)c1 ZINC000534584085 328310321 /nfs/dbraw/zinc/31/03/21/328310321.db2.gz SJLIRPGMYXRVLR-CYBMUJFWSA-N 0 3 251.757 3.098 50 0 CGAAHN Clc1cccc(N2CC[C@H](NCc3ccncc3)C2)c1 ZINC000096456841 534644284 /nfs/dbraw/zinc/64/42/84/534644284.db2.gz QKVDQZGUYXSKID-HNNXBMFYSA-N 0 3 287.794 3.104 50 0 CGAAHN CC[C@H](NC(=O)CN1CCCCCC1)c1ccc(F)cc1 ZINC000822655559 800463856 /nfs/dbraw/zinc/46/38/56/800463856.db2.gz ZLYOVKVYCIEFNQ-INIZCTEOSA-N 0 3 292.398 3.269 50 0 CGAAHN Cc1n[nH]c(C)c1CN1CCCN(c2ccccc2C)CC1 ZINC001506419291 937989885 /nfs/dbraw/zinc/98/98/85/937989885.db2.gz NWHIIJWRCXXNRH-UHFFFAOYSA-N 0 3 298.434 3.047 50 0 CGAAHN C[C@H](NCC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000096477429 230379819 /nfs/dbraw/zinc/37/98/19/230379819.db2.gz PFCSFYMZSBBJNQ-ZDUSSCGKSA-N 0 3 287.432 3.396 50 0 CGAAHN O=C1NCCCC[C@H]1NCc1ccc(-c2ccccc2)cc1 ZINC000097971395 230388579 /nfs/dbraw/zinc/38/85/79/230388579.db2.gz DPVJCQDVCXQFIX-GOSISDBHSA-N 0 3 294.398 3.112 50 0 CGAAHN C[C@H](C(=O)N1CCCCCCC1)[C@@H](N)c1ccccc1 ZINC000130110060 230394802 /nfs/dbraw/zinc/39/48/02/230394802.db2.gz MWUHAGJCIKJPKH-GOEBONIOSA-N 0 3 274.408 3.115 50 0 CGAAHN COC[C@@H](N[C@H](C)Cc1ccsc1)c1ccco1 ZINC000095968836 185048095 /nfs/dbraw/zinc/04/80/95/185048095.db2.gz GPSWWHXPYCQKRL-DGCLKSJQSA-N 0 3 265.378 3.249 50 0 CGAAHN COc1ncccc1N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000170591992 346193961 /nfs/dbraw/zinc/19/39/61/346193961.db2.gz QOQVHAKZOIODLQ-HOCLYGCPSA-N 0 3 297.402 3.338 50 0 CGAAHN CCN1CCCC[C@@H]1CNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000170624977 346195697 /nfs/dbraw/zinc/19/56/97/346195697.db2.gz VRLICOZVESFNON-PMPSAXMXSA-N 0 3 292.467 3.215 50 0 CGAAHN CCCCNCc1cccc(Br)c1F ZINC000085476846 179079888 /nfs/dbraw/zinc/07/98/88/179079888.db2.gz YLMDQNXJXCJJES-UHFFFAOYSA-N 0 3 260.150 3.478 50 0 CGAAHN C[C@@H]1CN(CCCC(F)(F)F)CC[C@@]1(O)C1CCC1 ZINC000091908281 180284594 /nfs/dbraw/zinc/28/45/94/180284594.db2.gz XPEQHGJRCBAMIQ-YPMHNXCESA-N 0 3 279.346 3.202 50 0 CGAAHN O=C(NC1CCCC1)C1CCN(Cc2cccs2)CC1 ZINC000000455470 368370154 /nfs/dbraw/zinc/37/01/54/368370154.db2.gz GJVFSUFCDWFELG-UHFFFAOYSA-N 0 3 292.448 3.019 50 0 CGAAHN N[C@H](CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000000518219 368382536 /nfs/dbraw/zinc/38/25/36/368382536.db2.gz QTRWITHPFNVZEQ-LLVKDONJSA-N 0 3 291.358 3.072 50 0 biogenic CGAAHN CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000005052214 368561683 /nfs/dbraw/zinc/56/16/83/368561683.db2.gz ZAKPZGUPZCQKEP-UHFFFAOYSA-N 0 3 281.399 3.264 50 0 CGAAHN NNc1nc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000005548766 368563123 /nfs/dbraw/zinc/56/31/23/368563123.db2.gz AKPFAEYRQVYVAK-UHFFFAOYSA-N 0 3 270.723 3.236 50 0 CGAAHN CC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010332534 368580009 /nfs/dbraw/zinc/58/00/09/368580009.db2.gz BYTQIQWFLRVASL-CQSZACIVSA-N 0 3 274.408 3.201 50 0 CGAAHN Cc1ccccc1CN1CCN(CC(C)(C)C)CCC1=O ZINC000012037409 368603622 /nfs/dbraw/zinc/60/36/22/368603622.db2.gz TWVVCVYPIJUYTL-UHFFFAOYSA-N 0 3 288.435 3.075 50 0 CGAAHN C[C@@H](CNC(=O)Nc1ccc(F)cc1)N1CCC(C)CC1 ZINC000012223555 368606441 /nfs/dbraw/zinc/60/64/41/368606441.db2.gz UFVVLPWBHWQBDM-ZDUSSCGKSA-N 0 3 293.386 3.068 50 0 CGAAHN CCCCc1ccc(C(=O)NC2CCN(CC)CC2)cc1 ZINC000016604806 368717193 /nfs/dbraw/zinc/71/71/93/368717193.db2.gz TZULXWMMYPUQBM-UHFFFAOYSA-N 0 3 288.435 3.243 50 0 CGAAHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCC(C)CC2)cc1 ZINC000013964488 368671172 /nfs/dbraw/zinc/67/11/72/368671172.db2.gz GAYMHSNBBCWUMK-OAHLLOKOSA-N 0 3 289.423 3.237 50 0 CGAAHN Fc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000019842476 368771168 /nfs/dbraw/zinc/77/11/68/368771168.db2.gz PMGAFJUNPMEQOI-MRXNPFEDSA-N 0 3 288.410 3.300 50 0 CGAAHN O[C@H](CNCc1cccc(Cl)c1)c1ccccc1 ZINC000019871913 368773645 /nfs/dbraw/zinc/77/36/45/368773645.db2.gz ZXPXMXDBXPXCFH-OAHLLOKOSA-N 0 3 261.752 3.163 50 0 CGAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000019229277 368746015 /nfs/dbraw/zinc/74/60/15/368746015.db2.gz UATYHJJQADRCIT-INIZCTEOSA-N 0 3 299.418 3.360 50 0 CGAAHN OCC[C@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000023115162 368816940 /nfs/dbraw/zinc/81/69/40/368816940.db2.gz ZDSGTQBVMSPHSS-CQSZACIVSA-N 0 3 253.773 3.077 50 0 CGAAHN CN(C)C/C=C\C(O)(c1ccccc1)c1ccccc1 ZINC000033304660 368962426 /nfs/dbraw/zinc/96/24/26/368962426.db2.gz NIUAGZPKSVQRLN-ZROIWOOFSA-N 0 3 267.372 3.040 50 0 CGAAHN CCn1cc(CN(CCCSC)CC(C)C)cn1 ZINC000055392781 369516298 /nfs/dbraw/zinc/51/62/98/369516298.db2.gz DZIXLILVNSBMHF-UHFFFAOYSA-N 0 3 269.458 3.114 50 0 CGAAHN C[C@H](NC1Cc2ccccc2C1)c1cn2ccsc2n1 ZINC000065372146 369669594 /nfs/dbraw/zinc/66/95/94/369669594.db2.gz 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ZLBDPFMOZWJGAP-BLLLJJGKSA-N 0 3 265.372 3.370 50 0 CGAAHN CCn1ncc(CNCC2CCC(c3ccccc3)CC2)n1 ZINC000585087111 542769122 /nfs/dbraw/zinc/76/91/22/542769122.db2.gz BYQDQCZAZPYDDD-UHFFFAOYSA-N 0 3 298.434 3.362 50 0 CGAAHN Cc1nccn1CC[C@H](C)N1CC(Oc2cccc(C)c2)C1 ZINC000670471854 543156744 /nfs/dbraw/zinc/15/67/44/543156744.db2.gz SMHHDMOJFDTKKP-HNNXBMFYSA-N 0 3 299.418 3.042 50 0 CGAAHN CC1(C)Cc2cc(CNCc3ccccc3CO)ccc2O1 ZINC000105422768 397651420 /nfs/dbraw/zinc/65/14/20/397651420.db2.gz HXABDVKKCUJHGF-UHFFFAOYSA-N 0 3 297.398 3.182 50 0 CGAAHN C[C@H](c1cccnc1)N(C)CCc1ccc2c(c1)CCO2 ZINC000093235485 287115129 /nfs/dbraw/zinc/11/51/29/287115129.db2.gz HSJSFVBBVQMMHC-CQSZACIVSA-N 0 3 282.387 3.252 50 0 CGAAHN COCCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004868670 170033911 /nfs/dbraw/zinc/03/39/11/170033911.db2.gz GAWJXYYFFHJFCS-UHFFFAOYSA-N 0 3 265.740 3.336 50 0 CGAAHN CC(C)(CNC(=S)Nc1ccccc1)N1CCCCC1 ZINC000006830938 170247312 /nfs/dbraw/zinc/24/73/12/170247312.db2.gz YSCNVSFIYSPTAK-UHFFFAOYSA-N 0 3 291.464 3.238 50 0 CGAAHN CCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007262392 170274354 /nfs/dbraw/zinc/27/43/54/170274354.db2.gz KOZWJPJLWKNFKM-LBPRGKRZSA-N 0 3 259.349 3.500 50 0 CGAAHN Cc1ccc2c(CNCc3ccccc3)cc(=O)oc2c1 ZINC000008343443 170332032 /nfs/dbraw/zinc/33/20/32/170332032.db2.gz KJXWXGUCLTZOCL-UHFFFAOYSA-N 0 3 279.339 3.391 50 0 CGAAHN CCc1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008714069 170348551 /nfs/dbraw/zinc/34/85/51/170348551.db2.gz WGYHBLVCOCAVRE-UHFFFAOYSA-N 0 3 270.376 3.407 50 0 CGAAHN CCN1CCN(CCCCOc2cccc(Cl)c2)CC1 ZINC000020389760 171179256 /nfs/dbraw/zinc/17/92/56/171179256.db2.gz VYXWUJUSJSPXAN-UHFFFAOYSA-N 0 3 296.842 3.137 50 0 CGAAHN C[C@@H](NCc1cc(Br)cs1)[C@@H]1CCCO1 ZINC000020475178 171219306 /nfs/dbraw/zinc/21/93/06/171219306.db2.gz CGDLPVHEMZFSMB-KCJUWKMLSA-N 0 3 290.226 3.168 50 0 CGAAHN Cc1cc(NCCCn2ccnc2)c2ccccc2n1 ZINC000035206348 172050370 /nfs/dbraw/zinc/05/03/70/172050370.db2.gz AUXRTCPSDQHPGG-UHFFFAOYSA-N 0 3 266.348 3.242 50 0 CGAAHN C[C@@H](CCN1CCCn2cncc2C1)c1ccccc1 ZINC000072143773 176324371 /nfs/dbraw/zinc/32/43/71/176324371.db2.gz HNTCWAOUWAITFS-HNNXBMFYSA-N 0 3 269.392 3.283 50 0 CGAAHN CC(=O)Nc1cccc(CN[C@H](C)C(C)(C)C(F)F)c1 ZINC000657837268 419381409 /nfs/dbraw/zinc/38/14/09/419381409.db2.gz RTSQDJOFSMZNDZ-SNVBAGLBSA-N 0 3 284.350 3.414 50 0 CGAAHN COc1cc2c(cc1OC)C1(CCCC1)CN[C@@H]2C ZINC000000197787 277853186 /nfs/dbraw/zinc/85/31/86/277853186.db2.gz KCZUHRBFIBQTEV-LLVKDONJSA-N 0 3 261.365 3.180 50 0 biogenic CGAAHN C[C@@H](NCc1cc(-c2ccccc2)no1)[C@H](C)n1cccn1 ZINC000069973904 278356849 /nfs/dbraw/zinc/35/68/49/278356849.db2.gz SMEWFOFGTYAMFM-KGLIPLIRSA-N 0 3 296.374 3.277 50 0 CGAAHN C[C@H](N[C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534837 279522135 /nfs/dbraw/zinc/52/21/35/279522135.db2.gz JYWGIVJNOTYUES-SUMWQHHRSA-N 0 3 292.386 3.097 50 0 CGAAHN COc1cc(OC)cc([C@@H]2CCN(Cc3ccncc3)C2)c1 ZINC000083689581 566863233 /nfs/dbraw/zinc/86/32/33/566863233.db2.gz MKBXZIVPHYQFKK-OAHLLOKOSA-N 0 3 298.386 3.088 50 0 CGAAHN Cc1cc(CN(C)CCc2c[nH]c3ccccc23)on1 ZINC000019742778 618970661 /nfs/dbraw/zinc/97/06/61/618970661.db2.gz MJMXCBZKDZTATN-UHFFFAOYSA-N 0 3 269.348 3.139 50 0 CGAAHN Cc1cc(N[C@@H](C)c2ccccc2Cl)nc(N)n1 ZINC000043532808 622319249 /nfs/dbraw/zinc/31/92/49/622319249.db2.gz SDFVWIXTKIJQPJ-VIFPVBQESA-N 0 3 262.744 3.194 50 0 CGAAHN Cc1ccoc1CN1CCC(O)(c2ccccc2)CC1 ZINC000020109982 641040059 /nfs/dbraw/zinc/04/00/59/641040059.db2.gz QZJJBMVGGZFACK-UHFFFAOYSA-N 0 3 271.360 3.072 50 0 CGAAHN C[C@H](CNCc1cccnc1)c1nc2ccccc2o1 ZINC000096446419 230374762 /nfs/dbraw/zinc/37/47/62/230374762.db2.gz XAHOGPGKBUFZEX-GFCCVEGCSA-N 0 3 267.332 3.116 50 0 CGAAHN CSCc1cccc(CNCc2cccnc2)c1 ZINC000189492466 230396035 /nfs/dbraw/zinc/39/60/35/230396035.db2.gz GEGLTOUTPPCTBJ-UHFFFAOYSA-N 0 3 258.390 3.234 50 0 CGAAHN C[C@H](CO)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968676 185047786 /nfs/dbraw/zinc/04/77/86/185047786.db2.gz NCPNPNNHBYPELA-BDAKNGLRSA-N 0 3 261.337 3.033 50 0 CGAAHN CCC[C@H](CN1CCCN(C(C)=O)CC1)c1ccccc1 ZINC000095986559 185055888 /nfs/dbraw/zinc/05/58/88/185055888.db2.gz VQPLJVVXKKBSIT-GOSISDBHSA-N 0 3 288.435 3.125 50 0 CGAAHN C[C@H]1OCC[C@@H]1NCc1ccnc(SC(C)(C)C)c1 ZINC000095995903 185060069 /nfs/dbraw/zinc/06/00/69/185060069.db2.gz PTRKUSKIWZERIP-YPMHNXCESA-N 0 3 280.437 3.239 50 0 CGAAHN C[C@H]([C@@H](O)c1ccccc1)N(C)CCC(=O)c1ccccc1 ZINC000096026514 345901776 /nfs/dbraw/zinc/90/17/76/345901776.db2.gz ZKLHFLNDKHNOSE-DNVCBOLYSA-N 0 3 297.398 3.313 50 0 CGAAHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000106137973 186103757 /nfs/dbraw/zinc/10/37/57/186103757.db2.gz WVXBPBROOHOSGF-OLZOCXBDSA-N 0 3 293.386 3.068 50 0 CGAAHN Cc1ccc([C@@H](C)CN[C@H](c2nncn2C)C(C)C)cc1 ZINC000628271866 350473334 /nfs/dbraw/zinc/47/33/34/350473334.db2.gz UDTKFWKYAADXQW-HOCLYGCPSA-N 0 3 286.423 3.214 50 0 CGAAHN COc1ccc(CN2CCC3(CCCC3)C2)cc1O ZINC000093336605 138345290 /nfs/dbraw/zinc/34/52/90/138345290.db2.gz JGNGWTPYOQHUEV-UHFFFAOYSA-N 0 3 261.365 3.167 50 0 CGAAHN Cc1nccnc1[C@H](C)N[C@@H](C)Cc1ccccc1F ZINC000187813502 189477880 /nfs/dbraw/zinc/47/78/80/189477880.db2.gz NBUKIKUDOOYSES-AAEUAGOBSA-N 0 3 273.355 3.206 50 0 CGAAHN C[C@@H](CN1CCCCC1)OC(=O)/C=C/c1ccccc1 ZINC000001776675 368437957 /nfs/dbraw/zinc/43/79/57/368437957.db2.gz CWYIKQNGWIEZGZ-NKSUMMKUSA-N 0 3 273.376 3.117 50 0 CGAAHN CCN(CC)CCOC(=O)C1(c2ccccc2)CCCC1 ZINC000001847743 368439819 /nfs/dbraw/zinc/43/98/19/368439819.db2.gz OFAIGZWCDGNZGT-UHFFFAOYSA-N 0 3 289.419 3.383 50 0 in-man CGAAHN CC(C)C[C@H](N)P(=O)(OC(C)C)OC(C)C ZINC000001871482 368439975 /nfs/dbraw/zinc/43/99/75/368439975.db2.gz ROBZAJLOHJJLGY-LLVKDONJSA-N 0 3 251.307 3.360 50 0 CGAAHN COC(=O)C[C@@H](N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000004775488 368558924 /nfs/dbraw/zinc/55/89/24/368558924.db2.gz RYDWAJUCDLIGFW-CQSZACIVSA-N 0 3 289.306 3.181 50 0 CGAAHN CCN(CCN(C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000019633466 368759096 /nfs/dbraw/zinc/75/90/96/368759096.db2.gz JHAYTIMFZMCWTJ-UHFFFAOYSA-N 0 3 275.223 3.377 50 0 CGAAHN COc1ccccc1CNCCc1cccc(F)c1 ZINC000019720686 368762089 /nfs/dbraw/zinc/76/20/89/368762089.db2.gz PHZSUWYEINSOBM-UHFFFAOYSA-N 0 3 259.324 3.167 50 0 CGAAHN c1coc(CN2CCN(C3CCCCCC3)CC2)c1 ZINC000019842544 368771140 /nfs/dbraw/zinc/77/11/40/368771140.db2.gz RAQSSYKTHXSSMO-UHFFFAOYSA-N 0 3 262.397 3.120 50 0 CGAAHN CC(C)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000019853954 368774553 /nfs/dbraw/zinc/77/45/53/368774553.db2.gz WBQGMNBUYLVWFE-UHFFFAOYSA-N 0 3 268.404 3.366 50 0 CGAAHN c1ccc(CN2CCN(C3CCCCC3)CC2)cc1 ZINC000019359696 368749552 /nfs/dbraw/zinc/74/95/52/368749552.db2.gz AFMSOFCDKXCYJS-UHFFFAOYSA-N 0 3 258.409 3.137 50 0 CGAAHN Fc1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019880278 368775331 /nfs/dbraw/zinc/77/53/31/368775331.db2.gz ASHSTEJRNUUTIG-MRXNPFEDSA-N 0 3 288.410 3.300 50 0 CGAAHN O[C@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023282045 368820659 /nfs/dbraw/zinc/82/06/59/368820659.db2.gz JJYRBCABTTXNBQ-SFHVURJKSA-N 0 3 297.398 3.222 50 0 CGAAHN CC(C)[C@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000027369187 368871582 /nfs/dbraw/zinc/87/15/82/368871582.db2.gz HBFFHBFIRJJSSM-KRWDZBQOSA-N 0 3 282.387 3.272 50 0 CGAAHN COc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1 ZINC000031933070 368920672 /nfs/dbraw/zinc/92/06/72/368920672.db2.gz UTJPQUKMECIGCK-UHFFFAOYSA-N 0 3 295.386 3.380 50 0 CGAAHN FC(F)SCc1ccc(CNC[C@@H]2CCCO2)o1 ZINC000035014487 368989771 /nfs/dbraw/zinc/98/97/71/368989771.db2.gz JMHJWYPIPJRQRO-VIFPVBQESA-N 0 3 277.336 3.004 50 0 CGAAHN CSc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000042364962 369217478 /nfs/dbraw/zinc/21/74/78/369217478.db2.gz OMQAFWHSPRMESA-CQSZACIVSA-N 0 3 265.422 3.409 50 0 CGAAHN COc1ccc(CN(C)Cc2cccc(F)c2)cc1 ZINC000042975915 369239186 /nfs/dbraw/zinc/23/91/86/369239186.db2.gz WSGAVMUUSDUBGN-UHFFFAOYSA-N 0 3 259.324 3.466 50 0 CGAAHN COc1ccc(CN(C)Cc2ccc(F)cc2)cc1 ZINC000042976064 369239236 /nfs/dbraw/zinc/23/92/36/369239236.db2.gz YEQOCVWEAHDHDP-UHFFFAOYSA-N 0 3 259.324 3.466 50 0 CGAAHN COc1ccc([C@H](C)NC[C@@H]2CCC=CO2)c(OC)c1 ZINC000050268034 369433286 /nfs/dbraw/zinc/43/32/86/369433286.db2.gz YLSUYFXPYHEORI-JSGCOSHPSA-N 0 3 277.364 3.047 50 0 CGAAHN CCc1ccc(CN(Cc2ccccc2)C[C@H](C)CO)nc1 ZINC000055099009 369510546 /nfs/dbraw/zinc/51/05/46/369510546.db2.gz UWBLZLPMDZZIHB-INIZCTEOSA-N 0 3 298.430 3.275 50 0 CGAAHN CN(C)Cc1ccccc1NC(=O)Nc1ccccc1 ZINC000058010796 369553062 /nfs/dbraw/zinc/55/30/62/369553062.db2.gz PCYRYEWTOQFJIB-UHFFFAOYSA-N 0 3 269.348 3.392 50 0 CGAAHN C[C@@H](NCc1ccc2nccnc2c1)c1ccccc1 ZINC000063666734 369647932 /nfs/dbraw/zinc/64/79/32/369647932.db2.gz WZRPNYJALYAAJI-CYBMUJFWSA-N 0 3 263.344 3.481 50 0 CGAAHN c1cc(-c2ccc(CN3CCCC3)cn2)cc2c1OCO2 ZINC000065491091 369679468 /nfs/dbraw/zinc/67/94/68/369679468.db2.gz LUGNTLWGFCEVPA-UHFFFAOYSA-N 0 3 282.343 3.073 50 0 CGAAHN CN(Cc1ccoc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000065525552 369680393 /nfs/dbraw/zinc/68/03/93/369680393.db2.gz PCUHKAOAHHRITK-OAHLLOKOSA-N 0 3 270.376 3.238 50 0 CGAAHN CSCc1ccc(CN[C@H](C)[C@@H](C)n2cccn2)o1 ZINC000069521569 369762885 /nfs/dbraw/zinc/76/28/85/369762885.db2.gz GEZVVEXILAHPCS-VXGBXAGGSA-N 0 3 279.409 3.078 50 0 CGAAHN Cc1ccc(CN(C)CCC(C)(C)O)c(C)c1F ZINC000067689135 369725785 /nfs/dbraw/zinc/72/57/85/369725785.db2.gz UKNAPJOSGJOXFP-UHFFFAOYSA-N 0 3 253.361 3.035 50 0 CGAAHN Cc1ccc(Cl)cc1O[C@@]12CCN(C1)CCC2 ZINC000067696834 369726440 /nfs/dbraw/zinc/72/64/40/369726440.db2.gz PMOZRPVUBIQHEU-AWEZNQCLSA-N 0 3 251.757 3.266 50 0 CGAAHN Cn1cc(CN2CCCC[C@@H]2CCc2ccccc2)cn1 ZINC000072440045 369820615 /nfs/dbraw/zinc/82/06/15/369820615.db2.gz RVCPMJGXZVHVCD-GOSISDBHSA-N 0 3 283.419 3.407 50 0 CGAAHN c1cc(CN(C[C@H]2CCCO2)C2CCCC2)ccn1 ZINC000075831785 369919316 /nfs/dbraw/zinc/91/93/16/369919316.db2.gz AMLTVSDYDTTXLI-MRXNPFEDSA-N 0 3 260.381 3.005 50 0 CGAAHN CN(C)[C@@H](CNCc1cccnc1)c1ccc(Cl)cc1 ZINC000080237084 369985797 /nfs/dbraw/zinc/98/57/97/369985797.db2.gz SKBGWGOBMCVELY-INIZCTEOSA-N 0 3 289.810 3.128 50 0 CGAAHN C[C@@H](O)C[C@H](C)CNCc1sccc1Br ZINC000097378298 370240760 /nfs/dbraw/zinc/24/07/60/370240760.db2.gz GIWIMLQHMVPQJN-DTWKUNHWSA-N 0 3 292.242 3.007 50 0 CGAAHN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@H](N(C)C)C1 ZINC000097463565 370242664 /nfs/dbraw/zinc/24/26/64/370242664.db2.gz JEEMTKLHFWOONM-ZDUSSCGKSA-N 0 3 295.814 3.206 50 0 CGAAHN c1cc(CN2CCCC3(CCOCC3)C2)cs1 ZINC000097495323 370245418 /nfs/dbraw/zinc/24/54/18/370245418.db2.gz KVVWQZQDUGIQFY-UHFFFAOYSA-N 0 3 251.395 3.141 50 0 CGAAHN Cc1cccc(NC(=O)CCN[C@@H](C)c2ccsc2)n1 ZINC000095421112 370188278 /nfs/dbraw/zinc/18/82/78/370188278.db2.gz IOVCOOQHVLJSDR-LBPRGKRZSA-N 0 3 289.404 3.131 50 0 CGAAHN CC1(C)C[C@H](O)CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000295251830 372718142 /nfs/dbraw/zinc/71/81/42/372718142.db2.gz QHQQQRAFCNEMJH-QDLOVBKTSA-N 0 3 277.383 3.322 50 0 CGAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000299767899 373608957 /nfs/dbraw/zinc/60/89/57/373608957.db2.gz XTCCQMHZPXVQBY-AWEZNQCLSA-N 0 3 273.380 3.253 50 0 CGAAHN CCc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(C)o2)C1 ZINC000299767900 373609446 /nfs/dbraw/zinc/60/94/46/373609446.db2.gz XTCCQMHZPXVQBY-CQSZACIVSA-N 0 3 273.380 3.253 50 0 CGAAHN CC[C@H](NCc1ccnc(C)c1)c1ccc2c(c1)OCCO2 ZINC000453295688 374397333 /nfs/dbraw/zinc/39/73/33/374397333.db2.gz RXSNUZPXIIXRGA-INIZCTEOSA-N 0 3 298.386 3.402 50 0 CGAAHN CCn1c(C)nnc1CN[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000191887674 375672592 /nfs/dbraw/zinc/67/25/92/375672592.db2.gz VGXFFTOLRVAGJN-IRXDYDNUSA-N 0 3 298.434 3.107 50 0 CGAAHN COc1ccc(CN(C)C[C@H]2CCCCO2)c(C)c1 ZINC000215455791 376148486 /nfs/dbraw/zinc/14/84/86/376148486.db2.gz JRURNLCFNZWASH-MRXNPFEDSA-N 0 3 263.381 3.005 50 0 CGAAHN c1cncc(-c2nc3c([nH]2)CN(C[C@@H]2CC=CCC2)CC3)c1 ZINC000215733475 376150668 /nfs/dbraw/zinc/15/06/68/376150668.db2.gz HOVVQQYTJZDGRS-CQSZACIVSA-N 0 3 294.402 3.186 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN(CCO)C2CC2)o1 ZINC000225533838 376314573 /nfs/dbraw/zinc/31/45/73/376314573.db2.gz ZQVJAFVKXOXZDK-UHFFFAOYSA-N 0 3 289.350 3.351 50 0 CGAAHN CN1CCC[C@@H]1CN(CCc1ccccc1)Cc1ccco1 ZINC000244817158 376798110 /nfs/dbraw/zinc/79/81/10/376798110.db2.gz SVFPMYLANBGWJT-GOSISDBHSA-N 0 3 298.430 3.419 50 0 CGAAHN Cc1ncsc1CN1CCCN(c2ccccc2)CC1 ZINC000271141989 378461642 /nfs/dbraw/zinc/46/16/42/378461642.db2.gz PNZQPMRXIUWAPB-UHFFFAOYSA-N 0 3 287.432 3.164 50 0 CGAAHN CC[C@@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cnn(C)c1 ZINC000370616846 379039841 /nfs/dbraw/zinc/03/98/41/379039841.db2.gz XOVOUQQQVSWSBF-MRXNPFEDSA-N 0 3 295.390 3.051 50 0 CGAAHN CCOc1cc(CN2CCCCCC2)ccc1OC ZINC000000239214 169583288 /nfs/dbraw/zinc/58/32/88/169583288.db2.gz YCJIOTWOCOEECC-UHFFFAOYSA-N 0 3 263.381 3.470 50 0 CGAAHN OCCNCc1ccc(OCc2ccccc2Cl)cc1 ZINC000005126693 285261010 /nfs/dbraw/zinc/26/10/10/285261010.db2.gz YLHHNJMNZKSOHM-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN C[C@@H](C(=O)N1CCCCCCC1)[C@H](N)c1ccccc1 ZINC000130109855 533197313 /nfs/dbraw/zinc/19/73/13/533197313.db2.gz MWUHAGJCIKJPKH-ZBFHGGJFSA-N 0 3 274.408 3.115 50 0 CGAAHN O[C@@H]1c2ccc(-c3ccccc3)cc2OC[C@H]1N1CCCC1 ZINC000426598825 285337397 /nfs/dbraw/zinc/33/73/97/285337397.db2.gz GKUAEDYNTKMACA-IEBWSBKVSA-N 0 3 295.382 3.244 50 0 CGAAHN COc1cc(C(C)=O)ccc1OCCCN1CCCCC1 ZINC000004869348 533562455 /nfs/dbraw/zinc/56/24/55/533562455.db2.gz IZGZRFNYYLYUFY-UHFFFAOYSA-N 0 3 291.391 3.153 50 0 CGAAHN Cc1ccc2c(CN3CCCC[C@@H]3C)cc(=O)oc2c1 ZINC000002215258 391915358 /nfs/dbraw/zinc/91/53/58/391915358.db2.gz OCEHGVSIIHMTHY-ZDUSSCGKSA-N 0 3 271.360 3.476 50 0 CGAAHN CCOCCN1CCCC[C@@H]1c1cccc(F)c1 ZINC000072137257 392196081 /nfs/dbraw/zinc/19/60/81/392196081.db2.gz MASMKHSAPMVZOE-OAHLLOKOSA-N 0 3 251.345 3.389 50 0 CGAAHN COc1ccc([C@@H](O)CNC/C=C\c2ccccc2)cc1 ZINC000096297188 392246931 /nfs/dbraw/zinc/24/69/31/392246931.db2.gz SSTQDBQRTNUTNF-MTIYJEKLSA-N 0 3 283.371 3.032 50 0 CGAAHN Cc1cccc([C@@H](C)NCC[S@](=O)C(C)(C)C)c1 ZINC000096477883 392256667 /nfs/dbraw/zinc/25/66/67/392256667.db2.gz CRQAECPUTKXQGT-FZKQIMNGSA-N 0 3 267.438 3.193 50 0 CGAAHN CC(=O)c1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000004842803 170028889 /nfs/dbraw/zinc/02/88/89/170028889.db2.gz GUJMBRIMFOMAJZ-KBPBESRZSA-N 0 3 275.392 3.246 50 0 CGAAHN COc1cc(C)ccc1OCCN1CCC[C@@H](C)C1 ZINC000004906887 170040010 /nfs/dbraw/zinc/04/00/10/170040010.db2.gz DXLNDPHCUGPSFL-CQSZACIVSA-N 0 3 263.381 3.114 50 0 CGAAHN OCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000004942870 170043188 /nfs/dbraw/zinc/04/31/88/170043188.db2.gz APPUUTIMRACOJA-UHFFFAOYSA-N 0 3 286.158 3.335 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@H](c1ccccc1Cl)NCC2 ZINC000004951406 170044766 /nfs/dbraw/zinc/04/47/66/170044766.db2.gz XONMKCZCHUOWRT-QEJZJMRPSA-N 0 3 265.784 3.296 50 0 CGAAHN CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000005018903 170056504 /nfs/dbraw/zinc/05/65/04/170056504.db2.gz WFKLUNLIZMWKNF-UHFFFAOYSA-N 0 3 290.407 3.176 50 0 CGAAHN CCCCCC[C@@H](CC(=O)NCCN(C)C)c1ccco1 ZINC000005345250 170088179 /nfs/dbraw/zinc/08/81/79/170088179.db2.gz XZZFJLRIFRSTJD-HNNXBMFYSA-N 0 3 294.439 3.402 50 0 CGAAHN Cc1ccccc1CSc1nnc([C@@H]2CCCN2)o1 ZINC000005477691 170103243 /nfs/dbraw/zinc/10/32/43/170103243.db2.gz YBSFXELVKPROSF-LBPRGKRZSA-N 0 3 275.377 3.095 50 0 CGAAHN Cc1cccc(C)c1OC[C@@H](O)CN[C@@H](C)c1ccccc1 ZINC000005559751 170113638 /nfs/dbraw/zinc/11/36/38/170113638.db2.gz INACUIBQMCMRKE-WMZOPIPTSA-N 0 3 299.414 3.394 50 0 CGAAHN CN(CCOCc1ccccc1)CCOCc1ccccc1 ZINC000005668513 170125900 /nfs/dbraw/zinc/12/59/00/170125900.db2.gz OABJOQYPOGLETJ-UHFFFAOYSA-N 0 3 299.414 3.352 50 0 CGAAHN CC[C@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000006542156 170211736 /nfs/dbraw/zinc/21/17/36/170211736.db2.gz RBIDXKYFWJTIMW-QGZVFWFLSA-N 0 3 285.387 3.126 50 0 CGAAHN CCOc1ccccc1CNCCc1ccc(OC)cc1 ZINC000006703809 170230535 /nfs/dbraw/zinc/23/05/35/170230535.db2.gz PHHNGOZHKZHXLD-UHFFFAOYSA-N 0 3 285.387 3.426 50 0 CGAAHN O=c1cc(CNCc2ccccc2)c2ccccc2[nH]1 ZINC000009479306 170378132 /nfs/dbraw/zinc/37/81/32/170378132.db2.gz OGXTXTYDUFKJNM-UHFFFAOYSA-N 0 3 264.328 3.230 50 0 CGAAHN CC[C@H](C)N1CCN(Cc2ccc(SC)cc2)CC1 ZINC000019842558 170890398 /nfs/dbraw/zinc/89/03/98/170890398.db2.gz FJCBWLTZZOTKPY-AWEZNQCLSA-N 0 3 278.465 3.325 50 0 CGAAHN CC(C)CC[C@H](CCN1CCN(C)CC1)c1ccco1 ZINC000020590565 171260828 /nfs/dbraw/zinc/26/08/28/171260828.db2.gz IAMAURQGMSRGRQ-MRXNPFEDSA-N 0 3 278.440 3.437 50 0 CGAAHN Cc1ccc(CNCCCc2nc3ccccc3[nH]2)o1 ZINC000035287266 172105167 /nfs/dbraw/zinc/10/51/67/172105167.db2.gz KVBSUGHZVGAQMM-UHFFFAOYSA-N 0 3 269.348 3.187 50 0 CGAAHN CC(C)CN(Cc1ccsc1)C[C@@H](O)COC(C)(C)C ZINC000036099221 172439622 /nfs/dbraw/zinc/43/96/22/172439622.db2.gz QRJIYRZSSSAWNT-OAHLLOKOSA-N 0 3 299.480 3.382 50 0 CGAAHN C[C@H](NC[C@H]1CCCOC1)c1ccccc1Cl ZINC000038043584 174050879 /nfs/dbraw/zinc/05/08/79/174050879.db2.gz PNPBDHFNNWNTJN-NWDGAFQWSA-N 0 3 253.773 3.417 50 0 CGAAHN COc1cccc2cc(CNC[C@@H](O)c3ccccc3)oc21 ZINC000040464604 174274015 /nfs/dbraw/zinc/27/40/15/174274015.db2.gz RWLDQKWNMOJCNA-MRXNPFEDSA-N 0 3 297.354 3.265 50 0 CGAAHN Cc1cccc(CN[C@H](C)c2ccc(-n3cncn3)cc2)c1 ZINC000071798803 176265552 /nfs/dbraw/zinc/26/55/52/176265552.db2.gz YLIHBOORJLJRIF-OAHLLOKOSA-N 0 3 292.386 3.427 50 0 CGAAHN O=C(c1cc2ccccc2o1)N1CCC[C@H](N2CCCC2)C1 ZINC000071821539 176270837 /nfs/dbraw/zinc/27/08/37/176270837.db2.gz UGXSPJFBLBJSPU-HNNXBMFYSA-N 0 3 298.386 3.133 50 0 CGAAHN C[C@H](C1CC1)N(CC[S@@](=O)c1ccccc1)C1CC1 ZINC000071856516 176278507 /nfs/dbraw/zinc/27/85/07/176278507.db2.gz HAMUDUVFCGIMRM-YJYMSZOUSA-N 0 3 277.433 3.057 50 0 CGAAHN Cc1cc(C)n(C[C@H]2CCCN2[C@@H](C)c2cccnc2)n1 ZINC000071876097 176286045 /nfs/dbraw/zinc/28/60/45/176286045.db2.gz YGPOTJIDBWROFQ-DOTOQJQBSA-N 0 3 284.407 3.121 50 0 CGAAHN CC(C)N(Cc1cccc(F)c1F)C1CCOCC1 ZINC000077323721 177253254 /nfs/dbraw/zinc/25/32/54/177253254.db2.gz WZJNSGVXZHAMOH-UHFFFAOYSA-N 0 3 269.335 3.354 50 0 CGAAHN COc1ccc(CN[C@H](C)C(C)(C)C(F)F)cc1O ZINC000657864700 419395222 /nfs/dbraw/zinc/39/52/22/419395222.db2.gz PBHXCOXLJOAXNZ-SECBINFHSA-N 0 3 273.323 3.170 50 0 CGAAHN COc1cccc([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688764 260114691 /nfs/dbraw/zinc/11/46/91/260114691.db2.gz LACQLKYZMSEMTM-KRWDZBQOSA-N 0 3 278.355 3.412 50 0 biogenic CGAAHN Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000071760319 278712516 /nfs/dbraw/zinc/71/25/16/278712516.db2.gz PQYUQTYBHKHKAT-CQSZACIVSA-N 0 3 296.292 3.311 50 0 CGAAHN CCc1nccn1CCN1CCC[C@@H]1c1ccccc1OC ZINC000252510271 328106021 /nfs/dbraw/zinc/10/60/21/328106021.db2.gz ZFWAUHYETWVQGK-MRXNPFEDSA-N 0 3 299.418 3.291 50 0 CGAAHN CCCCNCc1c(C(=O)OCC)oc2cccc(O)c21 ZINC000020267261 528552455 /nfs/dbraw/zinc/55/24/55/528552455.db2.gz CMHXBRRCEJOITA-UHFFFAOYSA-N 0 3 291.347 3.205 50 0 CGAAHN CCN1CCN(c2cc(C)c3cc4c(cc3n2)CCC4)CC1 ZINC000023634095 798838347 /nfs/dbraw/zinc/83/83/47/798838347.db2.gz XZCDGRVKYPUUNE-UHFFFAOYSA-N 0 3 295.430 3.174 50 0 CGAAHN Cc1cc(C)c(CN2CCSCC2)c(-n2cccn2)c1 ZINC000825124570 800473872 /nfs/dbraw/zinc/47/38/72/800473872.db2.gz VLUWEJDQYSWALW-UHFFFAOYSA-N 0 3 287.432 3.038 50 0 CGAAHN COCC/C=C/CN1CC=C(c2ccccc2)CC1 ZINC000095918100 185030577 /nfs/dbraw/zinc/03/05/77/185030577.db2.gz ULKOZWSXCWKVHA-ZZXKWVIFSA-N 0 3 257.377 3.368 50 0 CGAAHN C[C@@H](NCCCO[C@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969289 185047979 /nfs/dbraw/zinc/04/79/79/185047979.db2.gz JXVOGVSWFKZSQG-HIFRSBDPSA-N 0 3 289.375 3.279 50 0 CGAAHN Cc1nc(C)c(CN[C@@H](C)C[C@@H](O)c2cccs2)s1 ZINC000097022846 185153500 /nfs/dbraw/zinc/15/35/00/185153500.db2.gz YPNKGURDQRSSJX-JOYOIKCWSA-N 0 3 296.461 3.423 50 0 CGAAHN Fc1ccccc1N1CCN(C2Cc3ccccc3C2)CC1 ZINC000004981227 344860325 /nfs/dbraw/zinc/86/03/25/344860325.db2.gz LVHBFBIVDRQPEP-UHFFFAOYSA-N 0 3 296.389 3.115 50 0 CGAAHN CN(C)C[C@H](Cc1ccccc1)OCc1ccccc1 ZINC000006792003 344866289 /nfs/dbraw/zinc/86/62/89/344866289.db2.gz WRDPUTZTYUMCIK-SFHVURJKSA-N 0 3 269.388 3.376 50 0 CGAAHN CCn1cc(CN2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000093335564 345875419 /nfs/dbraw/zinc/87/54/19/345875419.db2.gz JZSXFZUEZGOIJB-OAHLLOKOSA-N 0 3 273.355 3.032 50 0 CGAAHN COP(=O)(CN(CC(C)C)CC(C)C)OC ZINC000097729764 345908914 /nfs/dbraw/zinc/90/89/14/345908914.db2.gz XBXZRLWVFQZNEZ-UHFFFAOYSA-N 0 3 251.307 3.044 50 0 CGAAHN C[C@]1(CO)CCCCN1Cc1cccc(Cl)c1 ZINC000170089227 346193654 /nfs/dbraw/zinc/19/36/54/346193654.db2.gz ITIDMRAORKYCAE-CQSZACIVSA-N 0 3 253.773 3.077 50 0 CGAAHN C[C@H](N[C@@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1 ZINC000249626743 346382790 /nfs/dbraw/zinc/38/27/90/346382790.db2.gz UELHZBBJIYDFML-IAOVAPTHSA-N 0 3 285.391 3.423 50 0 CGAAHN Clc1cccc(-c2cc(CNC3CCOCC3)on2)c1 ZINC000584900427 346723641 /nfs/dbraw/zinc/72/36/41/346723641.db2.gz MUMXKUCZUBHHHW-UHFFFAOYSA-N 0 3 292.766 3.264 50 0 CGAAHN Cc1nccn1-c1ccc([C@H](C)NCc2cccn2C)cc1 ZINC000086279325 179262882 /nfs/dbraw/zinc/26/28/82/179262882.db2.gz ZRMAPVGTFLDUOE-AWEZNQCLSA-N 0 3 294.402 3.370 50 0 CGAAHN c1ccc(CN2CC[C@H](Nc3cc(C4CC4)ncn3)C2)cc1 ZINC000091643294 180213778 /nfs/dbraw/zinc/21/37/78/180213778.db2.gz QDVAPGXTIOBRSW-INIZCTEOSA-N 0 3 294.402 3.040 50 0 CGAAHN COCCC[C@]1(CO)CCCN(Cc2sccc2C)C1 ZINC000091950673 180291275 /nfs/dbraw/zinc/29/12/75/180291275.db2.gz RTHGQSULGIUOKX-MRXNPFEDSA-N 0 3 297.464 3.058 50 0 CGAAHN C[C@H](c1ccccc1)[C@H](C)NCC(=O)N1CCC[C@@H](C)C1 ZINC000108171911 186208433 /nfs/dbraw/zinc/20/84/33/186208433.db2.gz CRWLTUUPDJMNGS-PMPSAXMXSA-N 0 3 288.435 3.027 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000183575695 189362950 /nfs/dbraw/zinc/36/29/50/189362950.db2.gz PRXUGYOXYCNHSL-SUHUHFCYSA-N 0 3 295.835 3.404 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000183575673 189362986 /nfs/dbraw/zinc/36/29/86/189362986.db2.gz PRXUGYOXYCNHSL-ZKYQVNSYSA-N 0 3 295.835 3.404 50 0 CGAAHN c1ccc(-c2noc([C@H]3CCCN3C3CCCC3)n2)nc1 ZINC000275705904 193110220 /nfs/dbraw/zinc/11/02/20/193110220.db2.gz QYDLSGVMLWLGHY-CQSZACIVSA-N 0 3 284.363 3.211 50 0 CGAAHN CN(C)CCN(Cc1ccccc1)c1nc2ccccc2o1 ZINC000000001857 368269651 /nfs/dbraw/zinc/26/96/51/368269651.db2.gz FBJHSTREJLPCAT-UHFFFAOYSA-N 0 3 295.386 3.396 50 0 in-man CGAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC000000241031 368323337 /nfs/dbraw/zinc/32/33/37/368323337.db2.gz OGTUGMNLNCGVAM-INIZCTEOSA-N 0 3 275.392 3.079 50 0 CGAAHN CN(C)Cc1ccccc1Sc1ccc(O)cc1O ZINC000000347485 368345469 /nfs/dbraw/zinc/34/54/69/368345469.db2.gz XGVORBBXGSPMOG-UHFFFAOYSA-N 0 3 275.373 3.311 50 0 CGAAHN CCCC[C@H](CC)[C@H]1OC[C@H](CN2CCCC2)O1 ZINC000002330477 368452078 /nfs/dbraw/zinc/45/20/78/368452078.db2.gz YGCPCVLTZNXDDJ-KKUMJFAQSA-N 0 3 255.402 3.040 50 0 CGAAHN COc1ccccc1N1CCN([C@H]2CCC[C@H](C)C2)CC1 ZINC000004981239 368560263 /nfs/dbraw/zinc/56/02/63/368560263.db2.gz MEPQVZPPPLLVQK-HOTGVXAUSA-N 0 3 288.435 3.396 50 0 CGAAHN c1ccc(CCCN2CCN(c3ccccc3)CC2)cc1 ZINC000008553066 368573919 /nfs/dbraw/zinc/57/39/19/368573919.db2.gz BBEVNYGQARSQPY-UHFFFAOYSA-N 0 3 280.415 3.441 50 0 CGAAHN COc1ccc(C2CCN(Cc3ccncc3)CC2)cc1 ZINC000012113919 368603809 /nfs/dbraw/zinc/60/38/09/368603809.db2.gz BEEHBTWUOVPSEL-UHFFFAOYSA-N 0 3 282.387 3.470 50 0 CGAAHN CCC(CC)CN1CCc2nnc(-c3ccccc3)n2CC1 ZINC000012126335 368604237 /nfs/dbraw/zinc/60/42/37/368604237.db2.gz BVPALQAPWKBJOM-UHFFFAOYSA-N 0 3 298.434 3.239 50 0 CGAAHN Cc1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012629149 368622149 /nfs/dbraw/zinc/62/21/49/368622149.db2.gz JTNOIRPQGRRXOZ-UHFFFAOYSA-N 0 3 266.388 3.317 50 0 CGAAHN c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000012629325 368623035 /nfs/dbraw/zinc/62/30/35/368623035.db2.gz VEJWDLHOLWGRLH-UHFFFAOYSA-N 0 3 252.361 3.009 50 0 CGAAHN Cc1ccc(NC(=O)CN(C)C2CCCCC2)cc1 ZINC000013323252 368649431 /nfs/dbraw/zinc/64/94/31/368649431.db2.gz KEFXBPLHMAAJIL-UHFFFAOYSA-N 0 3 260.381 3.198 50 0 CGAAHN COc1ccccc1CNCCc1ccc(F)cc1 ZINC000019720458 368759929 /nfs/dbraw/zinc/75/99/29/368759929.db2.gz WNKZJDVIRPJSLD-UHFFFAOYSA-N 0 3 259.324 3.167 50 0 CGAAHN O=C(CCC1CCCC1)N1CCN(C2CCCCC2)CC1 ZINC000019789493 368765849 /nfs/dbraw/zinc/76/58/49/368765849.db2.gz RLKPYWIBOZPCRV-UHFFFAOYSA-N 0 3 292.467 3.434 50 0 CGAAHN OC[C@@H]1CCCN1Cc1cccc(OCc2ccccc2)c1 ZINC000023280639 368818598 /nfs/dbraw/zinc/81/85/98/368818598.db2.gz HEVGFXXEGDLDCR-SFHVURJKSA-N 0 3 297.398 3.222 50 0 CGAAHN CC(C)C(=O)NC[C@H](c1cccs1)N1CCCCCC1 ZINC000027749505 368875651 /nfs/dbraw/zinc/87/56/51/368875651.db2.gz DSLKJQXCCKEZNS-CQSZACIVSA-N 0 3 294.464 3.437 50 0 CGAAHN CC(C)NC(=O)CN[C@H](C)c1ccc2ccccc2c1 ZINC000035132990 369001087 /nfs/dbraw/zinc/00/10/87/369001087.db2.gz XZTGJURVSDNVEA-CYBMUJFWSA-N 0 3 270.376 3.015 50 0 CGAAHN C[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccn(C)c(=O)c1 ZINC000036396571 369021230 /nfs/dbraw/zinc/02/12/30/369021230.db2.gz DTDXSQVVORIFMG-LBPRGKRZSA-N 0 3 290.794 3.232 50 0 CGAAHN C[C@@H](N[C@@H](C)Cn1ccnc1)c1ccc(F)c(Cl)c1 ZINC000037157026 369072967 /nfs/dbraw/zinc/07/29/67/369072967.db2.gz GBXPNBYOJDOGAV-WDEREUQCSA-N 0 3 281.762 3.415 50 0 CGAAHN O=C(CN1CCCCCCC1)N1CCCc2ccccc21 ZINC000058875312 369576893 /nfs/dbraw/zinc/57/68/93/369576893.db2.gz SQGXLRIBVKAPCH-UHFFFAOYSA-N 0 3 286.419 3.232 50 0 CGAAHN CCN(Cc1cnn(C)c1)Cc1cc(C)c(C)cc1C ZINC000065425723 369676231 /nfs/dbraw/zinc/67/62/31/369676231.db2.gz MWMLYOUVQYPASB-UHFFFAOYSA-N 0 3 271.408 3.367 50 0 CGAAHN Cc1cc(C)n([C@H]2CCN(Cc3ccsc3)C2)n1 ZINC000065494144 369679701 /nfs/dbraw/zinc/67/97/01/369679701.db2.gz NJEIJSPWPDQUIC-AWEZNQCLSA-N 0 3 261.394 3.008 50 0 CGAAHN C[C@H](O)[C@@H]1CCCCN1Cc1ccc(F)c2cccnc12 ZINC000069630114 369766438 /nfs/dbraw/zinc/76/64/38/369766438.db2.gz NACBVWGUOURYQI-LRDDRELGSA-N 0 3 288.366 3.109 50 0 CGAAHN Fc1ccccc1NC1CCN(CCc2ccncc2)CC1 ZINC000072688210 369835149 /nfs/dbraw/zinc/83/51/49/369835149.db2.gz BKKNYAOVEDZYEP-UHFFFAOYSA-N 0 3 299.393 3.340 50 0 CGAAHN Fc1cccc(Cl)c1CNC[C@H]1CSCCS1 ZINC000075109939 369895246 /nfs/dbraw/zinc/89/52/46/369895246.db2.gz ILLBBQAPQFDGDK-VIFPVBQESA-N 0 3 291.844 3.417 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)c2nc3ccccc3o2)n1 ZINC000078975479 369957288 /nfs/dbraw/zinc/95/72/88/369957288.db2.gz QKEYSCRJKYLQSE-LLVKDONJSA-N 0 3 297.358 3.130 50 0 CGAAHN Cc1cn2c(n1)[C@@H](CNCc1cc(F)ccc1F)CCC2 ZINC000084257763 370012231 /nfs/dbraw/zinc/01/22/31/370012231.db2.gz PTVIMPKBUYQTEA-GFCCVEGCSA-N 0 3 291.345 3.137 50 0 CGAAHN Cc1nc(C[C@H]2CCCN(C/C=C/c3ccccc3)C2)no1 ZINC000089718256 370046480 /nfs/dbraw/zinc/04/64/80/370046480.db2.gz QFWLICKWOVASDL-HFTQHKIXSA-N 0 3 297.402 3.346 50 0 CGAAHN Cc1noc(CCN[C@@H](C)c2cc3ccccc3o2)n1 ZINC000089518354 370042321 /nfs/dbraw/zinc/04/23/21/370042321.db2.gz BAYKOIQUOGXVMA-JTQLQIEISA-N 0 3 271.320 3.018 50 0 CGAAHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2ccccc2o1 ZINC000090515914 370061652 /nfs/dbraw/zinc/06/16/52/370061652.db2.gz HYDCJDRJMBQMNG-SYTFOFBDSA-N 0 3 279.405 3.241 50 0 CGAAHN COc1cccc([C@H](O)CN[C@H](C)c2ccsc2)c1 ZINC000089913469 370050084 /nfs/dbraw/zinc/05/00/84/370050084.db2.gz PDEROXNMUPNULT-IAQYHMDHSA-N 0 3 277.389 3.141 50 0 CGAAHN CCCCn1ccnc1[C@H]1CCCN(c2ccncc2)C1 ZINC000095352779 370177361 /nfs/dbraw/zinc/17/73/61/370177361.db2.gz SRXAKRMJLNDTNV-HNNXBMFYSA-N 0 3 284.407 3.462 50 0 CGAAHN c1cc(CN[C@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000096447520 370212011 /nfs/dbraw/zinc/21/20/11/370212011.db2.gz CEMPNKUGXBIHIH-GJZGRUSLSA-N 0 3 259.374 3.368 50 0 CGAAHN CN(C)Cc1ccnc(NCc2cnc3ccsc3c2)c1 ZINC000097045291 370218109 /nfs/dbraw/zinc/21/81/09/370218109.db2.gz ROFXLXRKUNRQPQ-UHFFFAOYSA-N 0 3 298.415 3.365 50 0 CGAAHN Cn1c(CN2CCC(c3cc[nH]n3)CC2)cc2ccccc21 ZINC000097784931 370254072 /nfs/dbraw/zinc/25/40/72/370254072.db2.gz DFJUNTNFQBHASJ-UHFFFAOYSA-N 0 3 294.402 3.281 50 0 CGAAHN CCc1ccc(CN2CCCC3(CCOCC3)C2)o1 ZINC000097446958 370242344 /nfs/dbraw/zinc/24/23/44/370242344.db2.gz HSUXVBOLIXJRAF-UHFFFAOYSA-N 0 3 263.381 3.235 50 0 CGAAHN Cc1csc(CN(C)Cc2cc(CN(C)C)cs2)n1 ZINC000097654228 370250064 /nfs/dbraw/zinc/25/00/64/370250064.db2.gz ORIDSKAMKRMUJT-UHFFFAOYSA-N 0 3 295.477 3.207 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)o1 ZINC000095448886 370195218 /nfs/dbraw/zinc/19/52/18/370195218.db2.gz XVJPKOXYAVBDCG-BZNIZROVSA-N 0 3 277.339 3.329 50 0 CGAAHN Cc1ncsc1CN[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095448881 370195490 /nfs/dbraw/zinc/19/54/90/370195490.db2.gz ICISBKRPOUQCMR-HZMBPMFUSA-N 0 3 294.395 3.192 50 0 CGAAHN Cn1ccc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000095448645 370195562 /nfs/dbraw/zinc/19/55/62/370195562.db2.gz FCDGLPPDCPEQGW-GOSISDBHSA-N 0 3 298.386 3.037 50 0 CGAAHN Cc1ccc2ncccc2c1CN1CCN(C(C)C)[C@H](C)C1 ZINC000097694923 370252068 /nfs/dbraw/zinc/25/20/68/370252068.db2.gz KJOWMQMAGFFDFY-MRXNPFEDSA-N 0 3 297.446 3.458 50 0 CGAAHN Cn1cc(CN2C[C@H](c3ccccc3)C(C)(C)C2)cn1 ZINC000134263854 371317410 /nfs/dbraw/zinc/31/74/10/371317410.db2.gz ROAXYSHFFCDANK-MRXNPFEDSA-N 0 3 269.392 3.046 50 0 CGAAHN C[C@H](NC(=O)C(C)(C)N1CCCC1)c1ccc2[nH]ccc2c1 ZINC000426370896 372153621 /nfs/dbraw/zinc/15/36/21/372153621.db2.gz BSGYKSKKXHKNOC-ZDUSSCGKSA-N 0 3 299.418 3.220 50 0 CGAAHN CN1CCN(CCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000061744918 541885149 /nfs/dbraw/zinc/88/51/49/541885149.db2.gz NQSFJHOJUKKDFZ-UHFFFAOYSA-N 0 3 290.451 3.000 50 0 CGAAHN CC[C@](C)(CC(=O)OC)NCc1nc2ccccc2s1 ZINC000084721141 541935469 /nfs/dbraw/zinc/93/54/69/541935469.db2.gz DOLRFKDSMVBTSP-OAHLLOKOSA-N 0 3 292.404 3.118 50 0 CGAAHN NC1NC(c2ccc(Cc3ccccc3)cc2)=CS1 ZINC000504745821 375655802 /nfs/dbraw/zinc/65/58/02/375655802.db2.gz VQIORTZQJUKQHM-UHFFFAOYSA-N 0 3 267.377 3.318 50 0 in-vitro CGAAHN COc1cccc2c1CC[C@H](N[C@H](C)c1ccccn1)C2 ZINC000192437645 375749315 /nfs/dbraw/zinc/74/93/15/375749315.db2.gz OXEBCWBMUFCTCG-HIFRSBDPSA-N 0 3 282.387 3.298 50 0 CGAAHN C[C@@H](CCN(C)Cc1cnccn1)c1ccccc1 ZINC000193810001 375926465 /nfs/dbraw/zinc/92/64/65/375926465.db2.gz GGBFVTVFDKIUBL-AWEZNQCLSA-N 0 3 255.365 3.102 50 0 CGAAHN C[C@H](C(=O)N([C@@H](C)C1CC1)C1CC1)[C@@H](N)c1ccccc1 ZINC000195543218 376111533 /nfs/dbraw/zinc/11/15/33/376111533.db2.gz OGNOSEGQWDAFEY-GDZNZVCISA-N 0 3 286.419 3.112 50 0 CGAAHN Cc1nccn1CCN(C)Cc1cccc(OC(C)C)c1 ZINC000215954991 376154352 /nfs/dbraw/zinc/15/43/52/376154352.db2.gz FESWFXTUCLSMBV-UHFFFAOYSA-N 0 3 287.407 3.111 50 0 CGAAHN COc1c(F)cccc1CN(C)[C@H]1CCOC(C)(C)C1 ZINC000215933946 376154383 /nfs/dbraw/zinc/15/43/83/376154383.db2.gz NOAPPVQGVIBPFD-ZDUSSCGKSA-N 0 3 281.371 3.224 50 0 CGAAHN COc1ccc(CN2CC=C(C)CC2)cc1Cn1cccn1 ZINC000216248040 376161313 /nfs/dbraw/zinc/16/13/13/376161313.db2.gz VNXZOARSZAWHOG-UHFFFAOYSA-N 0 3 297.402 3.092 50 0 CGAAHN Cc1n[nH]c(C)c1CN1CC[C@H](c2ccc(F)cc2)C1 ZINC000216411002 376163724 /nfs/dbraw/zinc/16/37/24/376163724.db2.gz FEOGSAPOXVCDKN-AWEZNQCLSA-N 0 3 273.355 3.155 50 0 CGAAHN Cc1ccc(N(C)C(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000225445385 376309787 /nfs/dbraw/zinc/30/97/87/376309787.db2.gz BMGVKKVDMCNKIE-MRXNPFEDSA-N 0 3 268.360 3.048 50 0 CGAAHN CC1=CCC[C@H](C)[C@H]1CN[C@H](C)c1nnc2n1CCCC2 ZINC000230311233 376503623 /nfs/dbraw/zinc/50/36/23/376503623.db2.gz DHEFTPGBHHMEGM-ZNMIVQPWSA-N 0 3 288.439 3.257 50 0 CGAAHN CC[C@@H]1CCC[C@H](CN2CCOC[C@@H]2[C@H]2CCCC2=O)C1 ZINC000242191323 376780178 /nfs/dbraw/zinc/78/01/78/376780178.db2.gz XEODZTCLBLILDT-YYIAUSFCSA-N 0 3 293.451 3.273 50 0 CGAAHN Fc1cccc([C@H]2CCCCN2CCc2cn[nH]c2)c1 ZINC000244899934 376799158 /nfs/dbraw/zinc/79/91/58/376799158.db2.gz ZTFWSHUQDGZTED-MRXNPFEDSA-N 0 3 273.355 3.319 50 0 CGAAHN c1ccc(OCCCN2CCN(C3CCCC3)CC2)cc1 ZINC000253374622 377687464 /nfs/dbraw/zinc/68/74/64/377687464.db2.gz NABRYTNLLIKHCO-UHFFFAOYSA-N 0 3 288.435 3.016 50 0 CGAAHN COc1cccc(CN2CCC3(CC[C@@H]3OC)CC2)c1 ZINC000257186043 377796275 /nfs/dbraw/zinc/79/62/75/377796275.db2.gz YFORKFLSQFIODF-INIZCTEOSA-N 0 3 275.392 3.086 50 0 CGAAHN CN(Cc1cnc2ccccc2c1)[C@H]1CCSC1 ZINC000271046226 378437108 /nfs/dbraw/zinc/43/71/08/378437108.db2.gz MCWBVKDZDOSSRK-AWEZNQCLSA-N 0 3 258.390 3.172 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)c1ccco1)c1ccsc1 ZINC000031992883 391964598 /nfs/dbraw/zinc/96/45/98/391964598.db2.gz BUJSOJLVCBARGE-ZDUSSCGKSA-N 0 3 292.404 3.154 50 0 CGAAHN Cc1nc2ccccc2c(N2CCC(CO)CC2)c1C ZINC000096501978 392256093 /nfs/dbraw/zinc/25/60/93/392256093.db2.gz IFXQDGGCCHMWQL-UHFFFAOYSA-N 0 3 270.376 3.060 50 0 CGAAHN C=Cc1cccc(CN2CCN(CC)C(C)(C)C2)c1 ZINC000670447242 543155942 /nfs/dbraw/zinc/15/59/42/543155942.db2.gz UQGDLQVZEKRTPT-UHFFFAOYSA-N 0 3 258.409 3.246 50 0 CGAAHN Cc1ccc(-c2ccc(CNC[C@@H](C)O)o2)cc1Cl ZINC000004999757 170052706 /nfs/dbraw/zinc/05/27/06/170052706.db2.gz HARWUSPYBDEJOJ-LLVKDONJSA-N 0 3 279.767 3.379 50 0 CGAAHN COC[C@@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000020865678 171276717 /nfs/dbraw/zinc/27/67/17/171276717.db2.gz ZKIAFYXCJDVJTD-INIZCTEOSA-N 0 3 285.391 3.078 50 0 CGAAHN C[C@@H](NC(=O)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000035587966 172287336 /nfs/dbraw/zinc/28/73/36/172287336.db2.gz BSEBOXRPIWDTLS-PBHICJAKSA-N 0 3 282.387 3.108 50 0 CGAAHN CCCNC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000038857462 174158353 /nfs/dbraw/zinc/15/83/53/174158353.db2.gz NGFGKZVIEZDGOT-AWEZNQCLSA-N 0 3 294.826 3.078 50 0 CGAAHN CC(C)CN(Cc1nc(-c2cccnc2)no1)CC(C)C ZINC000045943584 175387142 /nfs/dbraw/zinc/38/71/42/175387142.db2.gz FRIQLNQRMMTATG-UHFFFAOYSA-N 0 3 288.395 3.246 50 0 CGAAHN O=C(Nc1cccc(CNCc2cccs2)c1)C1CC1 ZINC000048326072 416446505 /nfs/dbraw/zinc/44/65/05/416446505.db2.gz UAKLIZGDFIRALQ-UHFFFAOYSA-N 0 3 286.400 3.386 50 0 CGAAHN C[C@@H]1Cc2ncn(Cc3ccc4cn[nH]c4c3)c2C[C@H]1C ZINC000660672603 419180701 /nfs/dbraw/zinc/18/07/01/419180701.db2.gz QHCBTSNPFYCOTK-VXGBXAGGSA-N 0 3 280.375 3.179 50 0 CGAAHN O[C@H]1CCC[C@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657373799 419263421 /nfs/dbraw/zinc/26/34/21/419263421.db2.gz CERDTKQDCQFLGQ-JSGCOSHPSA-N 0 3 293.382 3.008 50 0 CGAAHN C[C@@H](CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225719563 278261180 /nfs/dbraw/zinc/26/11/80/278261180.db2.gz ROLNLIWWMRHTLN-LBPRGKRZSA-N 0 3 286.341 3.056 50 0 CGAAHN Cc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 ZINC000024535626 278926999 /nfs/dbraw/zinc/92/69/99/278926999.db2.gz VGFNHJYUHBGRQX-KRWDZBQOSA-N 0 3 297.402 3.419 50 0 CGAAHN CC1(C)OC[C@@H](N2CCCCC2)[C@@H](c2ccccc2)O1 ZINC000095918097 281415298 /nfs/dbraw/zinc/41/52/98/281415298.db2.gz NYILHNFZMOENDP-HZPDHXFCSA-N 0 3 275.392 3.365 50 0 CGAAHN Cc1cc(OC[C@H](O)CN2CCC(C)CC2)ccc1Cl ZINC000001469918 301377754 /nfs/dbraw/zinc/37/77/54/301377754.db2.gz VNCDVLJOGRFWAY-CQSZACIVSA-N 0 3 297.826 3.120 50 0 CGAAHN C[C@H](NCc1nn(C)c2cccc(Cl)c12)C1CC1 ZINC000534670940 328347475 /nfs/dbraw/zinc/34/74/75/328347475.db2.gz FQASWCFBRWRKJY-VIFPVBQESA-N 0 3 263.772 3.115 50 0 CGAAHN C[C@H](c1ccncc1)N(C)Cc1ccc2c(c1)CCO2 ZINC000195561908 336056227 /nfs/dbraw/zinc/05/62/27/336056227.db2.gz ZXLCXUHMAFYUAN-CYBMUJFWSA-N 0 3 268.360 3.210 50 0 CGAAHN COc1ccc(CCN(C)Cc2ccc(C)o2)cc1OC ZINC000004987708 523939891 /nfs/dbraw/zinc/93/98/91/523939891.db2.gz MTVGGOPKHUDBLD-UHFFFAOYSA-N 0 3 289.375 3.280 50 0 CGAAHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccccn2)C1 ZINC000096441700 529219795 /nfs/dbraw/zinc/21/97/95/529219795.db2.gz BONGIWSGQOJMKQ-ZIAGYGMSSA-N 0 3 250.411 3.188 50 0 CGAAHN CCS[C@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000252501894 567060621 /nfs/dbraw/zinc/06/06/21/567060621.db2.gz UKNJYLILQHCCMR-QWRGUYRKSA-N 0 3 256.440 3.215 50 0 CGAAHN COc1ncc(CN2CCC[C@H](c3ccccc3)CC2)cn1 ZINC000824852110 800473186 /nfs/dbraw/zinc/47/31/86/800473186.db2.gz VEHXLMSEXHDSHV-KRWDZBQOSA-N 0 3 297.402 3.255 50 0 CGAAHN CCCC[C@H]1C=CCN1Cc1ccc(OC)c(O)c1 ZINC001506416280 937989889 /nfs/dbraw/zinc/98/98/89/937989889.db2.gz VSHGDHWSNKKQCI-AWEZNQCLSA-N 0 3 261.365 3.331 50 0 CGAAHN Cc1ccsc1-c1nnc(SC[C@H](C)N(C)C)o1 ZINC000095941671 185036406 /nfs/dbraw/zinc/03/64/06/185036406.db2.gz CMIWFKHQUSENKJ-VIFPVBQESA-N 0 3 283.422 3.149 50 0 CGAAHN C[C@@H](NCCn1cccn1)c1ccc(-c2cccnc2)cc1 ZINC000095985864 185056628 /nfs/dbraw/zinc/05/66/28/185056628.db2.gz RGPPHXZMVUHKEK-OAHLLOKOSA-N 0 3 292.386 3.296 50 0 CGAAHN CCS[C@@H]1CC[C@@H](NCc2c(C)noc2C)C1 ZINC000095990123 185057717 /nfs/dbraw/zinc/05/77/17/185057717.db2.gz ZBMYZPVYYMFPQW-VXGBXAGGSA-N 0 3 254.399 3.055 50 0 CGAAHN c1ncc(CN[C@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000157431091 346161385 /nfs/dbraw/zinc/16/13/85/346161385.db2.gz AGLDJQDUQNWWST-ZFWWWQNUSA-N 0 3 274.389 3.153 50 0 CGAAHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000106137976 186103829 /nfs/dbraw/zinc/10/38/29/186103829.db2.gz WVXBPBROOHOSGF-STQMWFEESA-N 0 3 293.386 3.068 50 0 CGAAHN CS[C@@H]1CC[C@@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000110641682 186309009 /nfs/dbraw/zinc/30/90/09/186309009.db2.gz ZKWKUCCKOHWCBC-VXGBXAGGSA-N 0 3 270.829 3.451 50 0 CGAAHN N[C@@H](CC(=O)N1CCC2(C1)CCCCC2)c1ccccc1 ZINC000097229177 283546179 /nfs/dbraw/zinc/54/61/79/283546179.db2.gz OTZCPWMUUXNBQU-INIZCTEOSA-N 0 3 286.419 3.259 50 0 CGAAHN Cc1cc(C)c2c(c1)[C@@H](N[C@@H]1C=C[C@H](CO)C1)CCCO2 ZINC000183580194 189363100 /nfs/dbraw/zinc/36/31/00/189363100.db2.gz WRFDNLSNORLXSU-UXLLHSPISA-N 0 3 287.403 3.044 50 0 CGAAHN OC1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000000238676 368321493 /nfs/dbraw/zinc/32/14/93/368321493.db2.gz DOPFSHFBUOETBI-UHFFFAOYSA-N 0 3 267.372 3.310 50 0 CGAAHN COc1ccc(CNCc2ccc(OC)c(OC)c2)cc1 ZINC000000165592 368307170 /nfs/dbraw/zinc/30/71/70/368307170.db2.gz GIXFNISOHAAMBX-UHFFFAOYSA-N 0 3 287.359 3.002 50 0 biogenic CGAAHN Cc1ccc(NC(=O)CCN(C)Cc2ccccc2)cc1 ZINC000000453963 368369411 /nfs/dbraw/zinc/36/94/11/368369411.db2.gz QREVFQJNGILNLB-UHFFFAOYSA-N 0 3 282.387 3.456 50 0 CGAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC000000291991 368334530 /nfs/dbraw/zinc/33/45/30/368334530.db2.gz KQZWBIAMOJVZGT-INIZCTEOSA-N 0 3 275.392 3.024 50 0 CGAAHN O[C@@H]1CCC[C@@]1(NCc1ccccc1)c1ccccc1 ZINC000000337405 368343318 /nfs/dbraw/zinc/34/33/18/368343318.db2.gz SUUCMHHUDJQGKG-QZTJIDSGSA-N 0 3 267.372 3.217 50 0 CGAAHN C[C@H](CN(C)Cc1ccccc1)OC(=O)c1cccs1 ZINC000000808170 368396068 /nfs/dbraw/zinc/39/60/68/368396068.db2.gz KGHVRLNTUNWPCB-CYBMUJFWSA-N 0 3 289.400 3.425 50 0 CGAAHN N[C@@H](CCc1nc2ccccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000000518218 368382684 /nfs/dbraw/zinc/38/26/84/368382684.db2.gz QTRWITHPFNVZEQ-NSHDSACASA-N 0 3 291.358 3.072 50 0 biogenic CGAAHN COc1ccc(C)cc1NC(=O)CN(C)C1CCCCC1 ZINC000003363761 368505588 /nfs/dbraw/zinc/50/55/88/368505588.db2.gz AGXPPRKBRWPXLL-UHFFFAOYSA-N 0 3 290.407 3.207 50 0 CGAAHN C[C@@H](CCN1CCN(c2ccccn2)CC1)c1ccccc1 ZINC000004988828 368560288 /nfs/dbraw/zinc/56/02/88/368560288.db2.gz FCKZFVZCXHEJDA-KRWDZBQOSA-N 0 3 295.430 3.397 50 0 CGAAHN CCCCN[C@H](C)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000004573437 368551196 /nfs/dbraw/zinc/55/11/96/368551196.db2.gz BGZNVMKQDDIGOY-SNVBAGLBSA-N 0 3 293.798 3.038 50 0 CGAAHN CC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010332538 368579639 /nfs/dbraw/zinc/57/96/39/368579639.db2.gz BYTQIQWFLRVASL-AWEZNQCLSA-N 0 3 274.408 3.201 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000010384185 368581338 /nfs/dbraw/zinc/58/13/38/368581338.db2.gz XSNYLZBFIFXSNR-NVXWUHKLSA-N 0 3 285.387 3.086 50 0 CGAAHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1 ZINC000012481469 368614726 /nfs/dbraw/zinc/61/47/26/368614726.db2.gz SHYZLGNMPFROMT-NSHDSACASA-N 0 3 273.163 3.074 50 0 CGAAHN CC(C)C[C@H](CNC(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000012915795 368634002 /nfs/dbraw/zinc/63/40/02/368634002.db2.gz PPLKUVFZUHJTHU-CQSZACIVSA-N 0 3 297.830 3.438 50 0 CGAAHN COc1cccc(CNCCc2ccccc2F)c1OC ZINC000019735188 368761555 /nfs/dbraw/zinc/76/15/55/368761555.db2.gz AGXNIXYXFRPCQU-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN Fc1cccc(C[C@H]2CN(C3CCCC3)CCO2)c1 ZINC000019838085 368770498 /nfs/dbraw/zinc/77/04/98/368770498.db2.gz ZQKRHRZEBMVPNJ-INIZCTEOSA-N 0 3 263.356 3.012 50 0 CGAAHN c1ccc2c(c1)[nH]c1c2CCN[C@@H]1c1ccc2c(c1)OCO2 ZINC000019301127 368748512 /nfs/dbraw/zinc/74/85/12/368748512.db2.gz ZLAJKSCIINOCQJ-QGZVFWFLSA-N 0 3 292.338 3.132 50 0 biogenic CGAAHN c1ccc([C@H](CNCc2cccnc2)N2CCCC2)cc1 ZINC000020096454 368802182 /nfs/dbraw/zinc/80/21/82/368802182.db2.gz KDRWEFOILGNGME-SFHVURJKSA-N 0 3 281.403 3.008 50 0 CGAAHN c1ccc([C@@H](CNCc2cccnc2)N2CCCC2)cc1 ZINC000020096456 368802348 /nfs/dbraw/zinc/80/23/48/368802348.db2.gz KDRWEFOILGNGME-GOSISDBHSA-N 0 3 281.403 3.008 50 0 CGAAHN OC[C@H]1CCCN1Cc1cccc(OCc2ccccc2)c1 ZINC000023280642 368817996 /nfs/dbraw/zinc/81/79/96/368817996.db2.gz HEVGFXXEGDLDCR-GOSISDBHSA-N 0 3 297.398 3.222 50 0 CGAAHN C[C@H](C1CC1)N(CC(=O)Nc1ccc(F)cc1F)C1CC1 ZINC000031653610 368916578 /nfs/dbraw/zinc/91/65/78/368916578.db2.gz QQDHITLGDRCKOQ-SNVBAGLBSA-N 0 3 294.345 3.166 50 0 CGAAHN COc1ccc(N)c(C[C@@H]2c3ccccc3CCN2C)c1 ZINC000031829667 368919444 /nfs/dbraw/zinc/91/94/44/368919444.db2.gz JXUZONMCSRNDCO-GOSISDBHSA-N 0 3 282.387 3.049 50 0 CGAAHN c1ccc2[nH]c([C@H]3CCCN(Cc4cccnc4)C3)nc2c1 ZINC000036686122 369024686 /nfs/dbraw/zinc/02/46/86/369024686.db2.gz ZPVROJANKKNYRG-HNNXBMFYSA-N 0 3 292.386 3.338 50 0 CGAAHN c1ccc2[nH]c([C@@H]3CCCN(Cc4cccnc4)C3)nc2c1 ZINC000036686121 369024748 /nfs/dbraw/zinc/02/47/48/369024748.db2.gz ZPVROJANKKNYRG-OAHLLOKOSA-N 0 3 292.386 3.338 50 0 CGAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[N@H+](C)CC)cc2)n1 ZINC000048482846 369355726 /nfs/dbraw/zinc/35/57/26/369355726.db2.gz GPIJLLPEPKUQNP-UHFFFAOYSA-N 0 3 299.418 3.231 50 0 CGAAHN CCCCc1cc(=O)[n-]c(-c2ccc(C[N@@H+](C)CC)cc2)n1 ZINC000048482846 369355731 /nfs/dbraw/zinc/35/57/31/369355731.db2.gz GPIJLLPEPKUQNP-UHFFFAOYSA-N 0 3 299.418 3.231 50 0 CGAAHN Cc1cccc(-c2ncc(CNCCCOC(C)C)cn2)c1 ZINC000055405177 369516203 /nfs/dbraw/zinc/51/62/03/369516203.db2.gz DTGPOHNRLGHTTN-UHFFFAOYSA-N 0 3 299.418 3.357 50 0 CGAAHN C[C@@H](NCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000058162385 369557296 /nfs/dbraw/zinc/55/72/96/369557296.db2.gz HXIQLQTWGVAYKY-CQSZACIVSA-N 0 3 297.402 3.042 50 0 CGAAHN Fc1cccc(-c2noc3c2CN(CC2CC2)CC3)c1 ZINC000067884126 369734107 /nfs/dbraw/zinc/73/41/07/369734107.db2.gz NOIYBYJHAFOGKK-UHFFFAOYSA-N 0 3 272.323 3.249 50 0 CGAAHN C[C@@H](NCc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000084636418 370014147 /nfs/dbraw/zinc/01/41/47/370014147.db2.gz DRSPDSGWUITQTF-GFCCVEGCSA-N 0 3 253.349 3.032 50 0 CGAAHN C[C@@H](NCc1ccc([S@](C)=O)cc1)c1ccsc1 ZINC000090221528 370059002 /nfs/dbraw/zinc/05/90/02/370059002.db2.gz IKFRDASQWWKOIV-ADLMAVQZSA-N 0 3 279.430 3.336 50 0 CGAAHN C[C@H](CCN[C@@H](C)c1cc2ccccc2o1)[S@](C)=O ZINC000090515921 370062407 /nfs/dbraw/zinc/06/24/07/370062407.db2.gz HYDCJDRJMBQMNG-UYSIFFEZSA-N 0 3 279.405 3.241 50 0 CGAAHN CCc1ccc([C@H](C)N[C@H]2CCN(c3ccccn3)C2)o1 ZINC000090802464 370070044 /nfs/dbraw/zinc/07/00/44/370070044.db2.gz WJYVHESVGMNIEM-KBPBESRZSA-N 0 3 285.391 3.167 50 0 CGAAHN c1csc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)n1 ZINC000095353666 370177758 /nfs/dbraw/zinc/17/77/58/370177758.db2.gz UVPYCGXFWZWKCQ-HZPDHXFCSA-N 0 3 299.443 3.244 50 0 CGAAHN CCCCn1ccnc1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000095381044 370181451 /nfs/dbraw/zinc/18/14/51/370181451.db2.gz HKPIHTCIJXYIDZ-MRXNPFEDSA-N 0 3 298.434 3.458 50 0 CGAAHN CCC(CC)[C@@H]1C[C@@H](NCc2cncs2)CCO1 ZINC000097047090 370219209 /nfs/dbraw/zinc/21/92/09/370219209.db2.gz QRNWORPWYXGXIJ-JSGCOSHPSA-N 0 3 268.426 3.217 50 0 CGAAHN OC[C@@H]1CCCCCN1Cc1ccccc1OC(F)F ZINC000097394501 370241340 /nfs/dbraw/zinc/24/13/40/370241340.db2.gz VTMSDEMRWZBRHJ-ZDUSSCGKSA-N 0 3 285.334 3.025 50 0 CGAAHN CN(C)Cc1ccc(-c2cc(C3CC3)ncn2)cc1 ZINC000097468046 370242316 /nfs/dbraw/zinc/24/23/16/370242316.db2.gz DSDPRARMIAAPNH-UHFFFAOYSA-N 0 3 253.349 3.083 50 0 CGAAHN CCc1nn(C)c(CC)c1CN[C@@H](C)CSCC(C)C ZINC000090846052 541965370 /nfs/dbraw/zinc/96/53/70/541965370.db2.gz BKTIZYYCENIUID-ZDUSSCGKSA-N 0 3 297.512 3.412 50 0 CGAAHN CCOC(=O)c1csc(C2CCN([C@@H](C)CC)CC2)n1 ZINC000192849002 375793998 /nfs/dbraw/zinc/79/39/98/375793998.db2.gz PLLNKRMDJHQLAW-NSHDSACASA-N 0 3 296.436 3.298 50 0 CGAAHN Cc1ccc(F)c(CN(C)C[C@@H]2CCCCN2C)c1 ZINC000215417059 376149059 /nfs/dbraw/zinc/14/90/59/376149059.db2.gz BYQSJYORRSTDFL-HNNXBMFYSA-N 0 3 264.388 3.050 50 0 CGAAHN c1cncc(-c2nc3c([nH]2)CN(C[C@H]2CC=CCC2)CC3)c1 ZINC000215733423 376149625 /nfs/dbraw/zinc/14/96/25/376149625.db2.gz HOVVQQYTJZDGRS-AWEZNQCLSA-N 0 3 294.402 3.186 50 0 CGAAHN CSCCCN(C)Cc1ccc2ccccc2n1 ZINC000216115722 376159071 /nfs/dbraw/zinc/15/90/71/376159071.db2.gz AIGFNSZRTFFDCY-UHFFFAOYSA-N 0 3 260.406 3.420 50 0 CGAAHN CCn1cnnc1CN[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000222036104 376228062 /nfs/dbraw/zinc/22/80/62/376228062.db2.gz ODYBYSUUFKVNGI-JKSUJKDBSA-N 0 3 284.407 3.114 50 0 CGAAHN Cc1cncc(CN2CC[C@H](Oc3ccccc3)C2)c1 ZINC000241720829 376778354 /nfs/dbraw/zinc/77/83/54/376778354.db2.gz QSOJQVBAGYLLHQ-KRWDZBQOSA-N 0 3 268.360 3.043 50 0 CGAAHN CSCC1CCN(CCc2csc(C)n2)CC1 ZINC000252488419 377630443 /nfs/dbraw/zinc/63/04/43/377630443.db2.gz IRNATFFTTUWOKG-UHFFFAOYSA-N 0 3 270.467 3.069 50 0 CGAAHN Cc1ncc(CN(CCN(C)C)CC2CCCCC2)s1 ZINC000349062453 379148509 /nfs/dbraw/zinc/14/85/09/379148509.db2.gz LYTCOIBCXYYJBJ-UHFFFAOYSA-N 0 3 295.496 3.395 50 0 CGAAHN Brc1cccc(CNCc2ccncc2)c1 ZINC000000360326 169616779 /nfs/dbraw/zinc/61/67/79/169616779.db2.gz DHTIPTSISOUFQU-UHFFFAOYSA-N 0 3 277.165 3.134 50 0 CGAAHN Cc1cc(N2CCO[C@H](C(F)(F)F)C2)c2ccccc2n1 ZINC000071760318 392191530 /nfs/dbraw/zinc/19/15/30/392191530.db2.gz PQYUQTYBHKHKAT-AWEZNQCLSA-N 0 3 296.292 3.311 50 0 CGAAHN CC(C)CN(Cc1ccccn1)C[C@@H](O)c1ccccc1 ZINC000071912078 392192612 /nfs/dbraw/zinc/19/26/12/392192612.db2.gz YWPVOGLESIBKMA-GOSISDBHSA-N 0 3 284.403 3.273 50 0 CGAAHN Cc1ccc2[nH]c(C3CN(Cc4ccccc4)C3)nc2c1 ZINC000085467281 392225200 /nfs/dbraw/zinc/22/52/00/392225200.db2.gz ADXRDLYBLZOHJA-UHFFFAOYSA-N 0 3 277.371 3.471 50 0 CGAAHN Cc1ccc2nc(C3CN(Cc4ccccc4)C3)[nH]c2c1 ZINC000085467281 392225206 /nfs/dbraw/zinc/22/52/06/392225206.db2.gz ADXRDLYBLZOHJA-UHFFFAOYSA-N 0 3 277.371 3.471 50 0 CGAAHN COc1ccc([C@@H](NCc2c[nH]nc2C)C(C)C)cc1 ZINC000097159135 392260203 /nfs/dbraw/zinc/26/02/03/392260203.db2.gz JYIVMTDSLSSMIJ-INIZCTEOSA-N 0 3 273.380 3.214 50 0 CGAAHN O[C@@H]1CN(Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000197143853 392976433 /nfs/dbraw/zinc/97/64/33/392976433.db2.gz RRVCCPCWJKCTCG-ZWKOTPCHSA-N 0 3 267.372 3.037 50 0 CGAAHN COc1cccc2c1OCCCN(CC[C@H](C)SC)C2 ZINC000216535740 392990960 /nfs/dbraw/zinc/99/09/60/392990960.db2.gz MSVXQTKDJQFAON-ZDUSSCGKSA-N 0 3 295.448 3.421 50 0 CGAAHN C[C@@H](Cn1cccn1)NC1(c2ccc(Cl)cc2)CC1 ZINC000443100518 393743613 /nfs/dbraw/zinc/74/36/13/393743613.db2.gz FNUYUOQBJYJOGQ-LBPRGKRZSA-N 0 3 275.783 3.204 50 0 CGAAHN CC[C@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670433911 543154290 /nfs/dbraw/zinc/15/42/90/543154290.db2.gz ZOPVDYUIKIVFLA-JTQLQIEISA-N 0 3 258.287 3.332 50 0 CGAAHN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@@H](O)CC1 ZINC000670458557 543156377 /nfs/dbraw/zinc/15/63/77/543156377.db2.gz QEZFZOWZANITFM-CQSZACIVSA-N 0 3 287.325 3.361 50 0 CGAAHN Cc1ccc2nccc(N3CCO[C@@H](C(F)(F)F)C3)c2c1 ZINC000071711911 292398390 /nfs/dbraw/zinc/39/83/90/292398390.db2.gz WOLRBAZSMQURQQ-CQSZACIVSA-N 0 3 296.292 3.311 50 0 CGAAHN O[C@]12CCCC[C@@H]1[C@H](c1cccc(Cl)c1)NCC2 ZINC000004731373 170007115 /nfs/dbraw/zinc/00/71/15/170007115.db2.gz XYHROWNMYDANFB-ILXRZTDVSA-N 0 3 265.784 3.296 50 0 CGAAHN C[C@H](CNCc1ccco1)COc1ccc(F)cc1 ZINC000004808064 170020644 /nfs/dbraw/zinc/02/06/44/170020644.db2.gz UFOJQXTWEOPVPY-GFCCVEGCSA-N 0 3 263.312 3.223 50 0 CGAAHN COc1cccc(C=O)c1OCCCN1CCC[C@@H](C)C1 ZINC000004842745 170028992 /nfs/dbraw/zinc/02/89/92/170028992.db2.gz XVEQGUBIBFWMEU-CQSZACIVSA-N 0 3 291.391 3.009 50 0 CGAAHN CN(C)CCOC1c2ccccc2-c2ccccc21 ZINC000004997211 170052362 /nfs/dbraw/zinc/05/23/62/170052362.db2.gz KESXIGOGWNSOGK-UHFFFAOYSA-N 0 3 253.345 3.335 50 0 CGAAHN Cc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1 ZINC000005268614 170081763 /nfs/dbraw/zinc/08/17/63/170081763.db2.gz XLDHXYDHPOYSHZ-UHFFFAOYSA-N 0 3 277.371 3.471 50 0 CGAAHN CCOc1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008713983 170348601 /nfs/dbraw/zinc/34/86/01/170348601.db2.gz DXYMOYGRUSDJQN-UHFFFAOYSA-N 0 3 286.375 3.243 50 0 CGAAHN Cc1ccc([C@H](CNC(=O)c2cccc(C)c2)N(C)C)cc1 ZINC000010017923 170395511 /nfs/dbraw/zinc/39/55/11/170395511.db2.gz LZTWAPUISDAYKV-SFHVURJKSA-N 0 3 296.414 3.336 50 0 CGAAHN Cc1ccn(CCN2CCC(Oc3ccc(C)cc3)CC2)n1 ZINC000020449290 171207521 /nfs/dbraw/zinc/20/75/21/171207521.db2.gz SDYPIOZIBBRLPG-UHFFFAOYSA-N 0 3 299.418 3.043 50 0 CGAAHN COc1cc(CN[C@H](C)[C@@H]2CCCO2)cc(Cl)c1OC ZINC000035273733 172094595 /nfs/dbraw/zinc/09/45/95/172094595.db2.gz FJQIOBOKGARUKG-MFKMUULPSA-N 0 3 299.798 3.014 50 0 CGAAHN CC[C@H](NCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000036921242 172805239 /nfs/dbraw/zinc/80/52/39/172805239.db2.gz QMWWISZWVPUWJI-AWEZNQCLSA-N 0 3 263.772 3.314 50 0 CGAAHN Cc1n[nH]cc1CN[C@H](c1ccc(C)cc1)C1CC1 ZINC000038011459 173979173 /nfs/dbraw/zinc/97/91/73/173979173.db2.gz GBTCPESQLYXSFO-MRXNPFEDSA-N 0 3 255.365 3.267 50 0 CGAAHN CCN(CCOc1ccc(C=O)cc1)Cc1ccccc1 ZINC000044125647 175144128 /nfs/dbraw/zinc/14/41/28/175144128.db2.gz IMAAYNVIVFBKAC-UHFFFAOYSA-N 0 3 283.371 3.400 50 0 CGAAHN c1ccc(CCN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299970 176364722 /nfs/dbraw/zinc/36/47/22/176364722.db2.gz FYYYPNHUVQOVSP-MRXNPFEDSA-N 0 3 297.402 3.369 50 0 CGAAHN OCc1cccc(CNCc2ccc(Cl)cc2)c1 ZINC000078553976 177353872 /nfs/dbraw/zinc/35/38/72/177353872.db2.gz MITDHQYGGJSYRT-UHFFFAOYSA-N 0 3 261.752 3.122 50 0 CGAAHN COCc1csc(CN[C@@H](C)c2cccc(O)c2)c1 ZINC000657350099 419256332 /nfs/dbraw/zinc/25/63/32/419256332.db2.gz ZWFFRRZEJADYMQ-NSHDSACASA-N 0 3 277.389 3.451 50 0 CGAAHN C[C@@H](NCc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000000174658 274252639 /nfs/dbraw/zinc/25/26/39/274252639.db2.gz YPPYOQYQJOKSGG-CXAGYDPISA-N 0 3 269.344 3.005 50 0 CGAAHN OC[C@]1(NCc2cccc3[nH]ccc32)CCc2ccccc21 ZINC000095429784 275050623 /nfs/dbraw/zinc/05/06/23/275050623.db2.gz NNGQIDMCQQBBER-LJQANCHMSA-N 0 3 292.382 3.092 50 0 CGAAHN COc1ccc2nc(C)cc(N3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000006823820 278002418 /nfs/dbraw/zinc/00/24/18/278002418.db2.gz LMJXRJNCKLMDRB-STQMWFEESA-N 0 3 286.375 3.165 50 0 CGAAHN CS[C@H]1CCC[C@@H]1N(C)Cc1cn2ccccc2n1 ZINC000096441752 278161804 /nfs/dbraw/zinc/16/18/04/278161804.db2.gz IPYKMTAWIGWYEB-KBPBESRZSA-N 0 3 275.421 3.050 50 0 CGAAHN C[C@@H](O)CC(C)(C)CN[C@H]1CCCc2occc21 ZINC000170088923 278391058 /nfs/dbraw/zinc/39/10/58/278391058.db2.gz HISUJKSCOSGBHZ-YPMHNXCESA-N 0 3 251.370 3.044 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000012436714 278509145 /nfs/dbraw/zinc/50/91/45/278509145.db2.gz RJXDBTDFBZRPHG-IECFSIQFSA-N 0 3 293.451 3.452 50 0 CGAAHN Fc1ccc(F)c(C2(N[C@H]3CCCSC3)CC2)c1 ZINC000534662745 328350677 /nfs/dbraw/zinc/35/06/77/328350677.db2.gz PPWKQLFPAAWRAL-NSHDSACASA-N 0 3 269.360 3.439 50 0 CGAAHN Cc1ccc(N[C@H]2CCCN(Cc3cnn(C)c3)C2)cc1C ZINC000012198880 525320908 /nfs/dbraw/zinc/32/09/08/525320908.db2.gz DVBLRVGQWNNTHW-SFHVURJKSA-N 0 3 298.434 3.113 50 0 CGAAHN C[Si](C)(C)c1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000195788831 572525729 /nfs/dbraw/zinc/52/57/29/572525729.db2.gz UIYGROSDSAAWBE-HNNXBMFYSA-N 0 3 284.479 3.167 50 0 CGAAHN COc1ccc(CN2CCCC2)cc1Oc1cccnc1 ZINC000067974499 798910886 /nfs/dbraw/zinc/91/08/86/798910886.db2.gz ZCEGMJZUMNLIFF-UHFFFAOYSA-N 0 3 284.359 3.478 50 0 CGAAHN CC(C)c1nnc(CNC2CCC(C(C)C)CC2)n1C ZINC000096003718 185062001 /nfs/dbraw/zinc/06/20/01/185062001.db2.gz UREVGYYPVCCKKU-UHFFFAOYSA-N 0 3 278.444 3.243 50 0 CGAAHN Cc1ccoc1C(=O)Nc1cnccc1N1CCCCC1 ZINC000072281697 345408157 /nfs/dbraw/zinc/40/81/57/345408157.db2.gz HIIFXDGDUOAMSY-UHFFFAOYSA-N 0 3 285.347 3.226 50 0 CGAAHN CC(C)Oc1ccc([C@@H]2CCC[C@@H]2NCC(N)=O)cc1 ZINC000328588586 201947916 /nfs/dbraw/zinc/94/79/16/201947916.db2.gz JKDZYZIJBQNIIF-GJZGRUSLSA-N 0 3 276.380 3.235 50 0 CGAAHN Cc1cc(CN[C@@H](C)c2cc[nH]c(=O)c2)ccc1F ZINC000339458885 215187329 /nfs/dbraw/zinc/18/73/29/215187329.db2.gz CJLZVAYHRGFAQY-NSHDSACASA-N 0 3 260.312 3.086 50 0 CGAAHN CCC(=O)N1CC[C@@H](NCc2ccc(Cl)o2)[C@H](CC)C1 ZINC000089948967 179890568 /nfs/dbraw/zinc/89/05/68/179890568.db2.gz GZWUECIEPHICFO-DGCLKSJQSA-N 0 3 298.814 3.060 50 0 CGAAHN CS[C@@H](C)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000090725480 180032753 /nfs/dbraw/zinc/03/27/53/180032753.db2.gz GWEGWPHTQHABPT-WDEREUQCSA-N 0 3 266.410 3.047 50 0 CGAAHN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@@H](C)C1 ZINC000104620408 186010859 /nfs/dbraw/zinc/01/08/59/186010859.db2.gz PWMGLQXNLNSDGX-CHWSQXEVSA-N 0 3 294.826 3.077 50 0 CGAAHN Cc1nn(C)c(C)c1CN1CCC[C@H](Nc2ccccc2)C1 ZINC000154887962 188167842 /nfs/dbraw/zinc/16/78/42/188167842.db2.gz SFLMJOHTRIIIBP-KRWDZBQOSA-N 0 3 298.434 3.113 50 0 CGAAHN Fc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000000216401 368317638 /nfs/dbraw/zinc/31/76/38/368317638.db2.gz NELKQISNCSITTN-UHFFFAOYSA-N 0 3 284.378 3.190 50 0 CGAAHN C[C@H]1CCC[C@@H](N2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000000316984 368340443 /nfs/dbraw/zinc/34/04/43/368340443.db2.gz LUXAZHNJKKBWFF-DOTOQJQBSA-N 0 3 286.419 3.023 50 0 CGAAHN COc1cc2c(cc1OC)C1(CCCCC1)CN(C)C2 ZINC000000330713 368342206 /nfs/dbraw/zinc/34/22/06/368342206.db2.gz DIWSPKIMFUUJKL-UHFFFAOYSA-N 0 3 275.392 3.351 50 0 biogenic CGAAHN O[C@@H]1CCC[C@]1(NCc1ccccc1)c1ccccc1 ZINC000000337406 368342543 /nfs/dbraw/zinc/34/25/43/368342543.db2.gz SUUCMHHUDJQGKG-MSOLQXFVSA-N 0 3 267.372 3.217 50 0 CGAAHN CCCOc1cccc(NC(=O)OC2CCN(C)CC2)c1 ZINC000002049845 368445881 /nfs/dbraw/zinc/44/58/81/368445881.db2.gz SBAXVWZTDUTJQG-UHFFFAOYSA-N 0 3 292.379 3.118 50 0 CGAAHN Clc1ccc(OCCCNCc2ccco2)cc1 ZINC000003003745 368487893 /nfs/dbraw/zinc/48/78/93/368487893.db2.gz NNEHZJMZULADIZ-UHFFFAOYSA-N 0 3 265.740 3.492 50 0 CGAAHN Cc1ccc(OCCNCc2ccccc2)c(C)c1 ZINC000003002201 368487918 /nfs/dbraw/zinc/48/79/18/368487918.db2.gz MSADMIDVXOMMAV-UHFFFAOYSA-N 0 3 255.361 3.472 50 0 CGAAHN CCN(CC)Cc1cccc(C(=O)N(CC)CC)c1 ZINC000004664812 368554847 /nfs/dbraw/zinc/55/48/47/368554847.db2.gz GMAQYUXJRBKZEX-UHFFFAOYSA-N 0 3 262.397 3.010 50 0 CGAAHN CN(C)CCOC(=O)Nc1cccc(Cl)c1Cl ZINC000004774901 368558794 /nfs/dbraw/zinc/55/87/94/368558794.db2.gz MLPBADJKOWVTQY-UHFFFAOYSA-N 0 3 277.151 3.104 50 0 CGAAHN Cc1cc2oc(=O)cc(CN3CCCCC3)c2cc1C ZINC000005164649 368561660 /nfs/dbraw/zinc/56/16/60/368561660.db2.gz FRLVMGSEMKKDGM-UHFFFAOYSA-N 0 3 271.360 3.396 50 0 CGAAHN O=C(NCCN1CCCCC1)Nc1ccc(F)c(Cl)c1 ZINC000004271657 368539841 /nfs/dbraw/zinc/53/98/41/368539841.db2.gz PSBARZFWRFGUFN-UHFFFAOYSA-N 0 3 299.777 3.087 50 0 CGAAHN Cc1ccccc1[C@H](C)NCc1cnc2ccccn12 ZINC000121817479 370898647 /nfs/dbraw/zinc/89/86/47/370898647.db2.gz ARYSQFIALFVZJX-AWEZNQCLSA-N 0 3 265.360 3.494 50 0 CGAAHN C[C@H](NCc1cnn(C)c1)c1cccc2ccccc21 ZINC000017316348 368731143 /nfs/dbraw/zinc/73/11/43/368731143.db2.gz XCVJIXXDXCFBNJ-ZDUSSCGKSA-N 0 3 265.360 3.424 50 0 CGAAHN CC(C)c1ccc([C@H](CN)NC(=O)OC(C)(C)C)cc1 ZINC000019682513 368760284 /nfs/dbraw/zinc/76/02/84/368760284.db2.gz OYCVEBQMDGSXGY-AWEZNQCLSA-N 0 3 278.396 3.335 50 0 CGAAHN c1cc2ccc(CNCc3ccc4c(c3)OCO4)cc2[nH]1 ZINC000019737380 368763183 /nfs/dbraw/zinc/76/31/83/368763183.db2.gz LMZJQHDRIGPUGC-UHFFFAOYSA-N 0 3 280.327 3.186 50 0 CGAAHN Cc1ccccc1CN1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000019361663 368750457 /nfs/dbraw/zinc/75/04/57/368750457.db2.gz NGBBBABDNNOQAO-GOSISDBHSA-N 0 3 284.447 3.469 50 0 CGAAHN Cc1ccc(CNC[C@H](c2ccco2)N2CCCC2)o1 ZINC000023257835 368818112 /nfs/dbraw/zinc/81/81/12/368818112.db2.gz JPAIHELYEWSNCM-OAHLLOKOSA-N 0 3 274.364 3.108 50 0 CGAAHN Cc1ccsc1CN(C)C[C@@H](O)c1ccccc1 ZINC000023281028 368820100 /nfs/dbraw/zinc/82/01/00/368820100.db2.gz PBDMGOBURXCKLK-CQSZACIVSA-N 0 3 261.390 3.222 50 0 CGAAHN O=C(C[C@H]1C=CCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000032911482 368952591 /nfs/dbraw/zinc/95/25/91/368952591.db2.gz LMRFKEOEDQVXBQ-FUHWJXTLSA-N 0 3 298.430 3.124 50 0 CGAAHN CNC(c1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000035102083 368998071 /nfs/dbraw/zinc/99/80/71/368998071.db2.gz MGUFSFOYKKOOSU-UHFFFAOYSA-N 0 3 257.333 3.013 50 0 CGAAHN O=C(CNC1CCCCCC1)Nc1ccc(F)cc1 ZINC000036962635 369043229 /nfs/dbraw/zinc/04/32/29/369043229.db2.gz KJNWHKKVISYEMC-UHFFFAOYSA-N 0 3 264.344 3.077 50 0 CGAAHN CC(C)CN(C(=O)c1cccc(F)c1)C1CCN(C)CC1 ZINC000053223305 369480439 /nfs/dbraw/zinc/48/04/39/369480439.db2.gz NAGMWRCXEBPILW-UHFFFAOYSA-N 0 3 292.398 3.018 50 0 CGAAHN Cc1ccsc1CN(Cc1cnc[nH]1)CC(C)C ZINC000055099904 369510965 /nfs/dbraw/zinc/51/09/65/369510965.db2.gz GDNOORUVTMEHTE-UHFFFAOYSA-N 0 3 263.410 3.438 50 0 CGAAHN CCCO[C@@H]1CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000065386448 369670865 /nfs/dbraw/zinc/67/08/65/369670865.db2.gz INWVMTAMIHFZOJ-QGZVFWFLSA-N 0 3 290.407 3.036 50 0 CGAAHN COC(C)(C)C[C@@H](C)NCc1cc(-c2ccco2)on1 ZINC000065508010 369681352 /nfs/dbraw/zinc/68/13/52/369681352.db2.gz HQNBIVZUEASUEY-LLVKDONJSA-N 0 3 278.352 3.228 50 0 CGAAHN Cc1cnccc1CN(C)Cc1ccc(-n2ccnc2)cc1 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ZINC000095448892 370194917 /nfs/dbraw/zinc/19/49/17/370194917.db2.gz JVLZGOHPAZSEFI-SJKOYZFVSA-N 0 3 289.350 3.133 50 0 CGAAHN CCCCCN(Cc1n[nH]c(C2CC2)n1)C(C)C ZINC000095456066 370196359 /nfs/dbraw/zinc/19/63/59/370196359.db2.gz GDTONKFWCMIFMB-UHFFFAOYSA-N 0 3 250.390 3.083 50 0 CGAAHN CC1(C)OC[C@H](N2CCCCC2)[C@@H](c2ccccc2)O1 ZINC000095918096 370200888 /nfs/dbraw/zinc/20/08/88/370200888.db2.gz NYILHNFZMOENDP-JKSUJKDBSA-N 0 3 275.392 3.365 50 0 CGAAHN CC1(C)C[C@@H](NCc2cnc(Cl)s2)C(C)(C)O1 ZINC000132590659 371187529 /nfs/dbraw/zinc/18/75/29/371187529.db2.gz HATXEEVXGMZLIO-SECBINFHSA-N 0 3 274.817 3.232 50 0 CGAAHN C[C@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)N(C)C ZINC000426712288 372169934 /nfs/dbraw/zinc/16/99/34/372169934.db2.gz YZKDBVHSLHGNBZ-SNVBAGLBSA-N 0 3 274.389 3.137 50 0 CGAAHN CCCCN(CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000170596945 372639102 /nfs/dbraw/zinc/63/91/02/372639102.db2.gz OGNRNEUVLUYPFX-UHFFFAOYSA-N 0 3 276.384 3.006 50 0 CGAAHN Fc1cc(Cl)ccc1CN[C@H]1CCCOCC1 ZINC000187577115 375046426 /nfs/dbraw/zinc/04/64/26/375046426.db2.gz VVNRYTUWTGWSCD-LBPRGKRZSA-N 0 3 257.736 3.138 50 0 CGAAHN Cc1cnc(CN[C@H](C)Cc2ccccc2F)s1 ZINC000188081504 375153844 /nfs/dbraw/zinc/15/38/44/375153844.db2.gz FBSOXXAEUIUOSW-SNVBAGLBSA-N 0 3 264.369 3.311 50 0 CGAAHN C[C@](O)(CCNCc1cccnc1Cl)c1ccccc1 ZINC000189834934 375451537 /nfs/dbraw/zinc/45/15/37/375451537.db2.gz GZRCXLHJCHIBEQ-INIZCTEOSA-N 0 3 290.794 3.122 50 0 CGAAHN CC(C)N(Cc1nc(-c2ccoc2)no1)CC1CCC1 ZINC000193213729 375842120 /nfs/dbraw/zinc/84/21/20/375842120.db2.gz VGKXIEONDPGTKH-UHFFFAOYSA-N 0 3 275.352 3.340 50 0 CGAAHN c1coc([C@@H]2N(CCc3ccncc3)CC23CCOCC3)c1 ZINC000521398727 375875293 /nfs/dbraw/zinc/87/52/93/375875293.db2.gz MOKTXRNPZPUEMJ-KRWDZBQOSA-N 0 3 298.386 3.071 50 0 CGAAHN COC[C@@H]1CCCN1Cc1c[nH]nc1-c1cc(C)ccc1C ZINC000215419218 376148899 /nfs/dbraw/zinc/14/88/99/376148899.db2.gz WFNJYVFKCWWZMD-INIZCTEOSA-N 0 3 299.418 3.304 50 0 CGAAHN CCN(Cc1cc(C(C)=O)cn1C)[C@@H]1CCOC(C)(C)C1 ZINC000216198816 376160922 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/nfs/dbraw/zinc/63/80/86/377638086.db2.gz KRGRTWXJMAWMNM-KGLIPLIRSA-N 0 3 287.325 3.098 50 0 CGAAHN Cc1ccc(CNCc2ccc(C(C)C)cc2)c(=O)n1C ZINC000278682202 194100890 /nfs/dbraw/zinc/10/08/90/194100890.db2.gz ICRXMKAGIWJDSV-UHFFFAOYSA-N 0 3 284.403 3.107 50 0 CGAAHN CC[C@H](c1cccc(OC)c1)N(C)Cc1cnc[nH]1 ZINC000289401118 197329330 /nfs/dbraw/zinc/32/93/30/197329330.db2.gz LAUGPNVAUOJVRA-OAHLLOKOSA-N 0 3 259.353 3.001 50 0 CGAAHN C[C@@H](CCN1CC(N2CCCCC2)C1)c1ccccc1 ZINC000097657115 533581016 /nfs/dbraw/zinc/58/10/16/533581016.db2.gz LGBXTUNIOBZSCY-INIZCTEOSA-N 0 3 272.436 3.350 50 0 CGAAHN CNC(=O)c1ccc(CNC/C(C)=C\c2ccccc2)cc1 ZINC000096297195 392246779 /nfs/dbraw/zinc/24/67/79/392246779.db2.gz AEBLQKYCXVNZJT-QINSGFPZSA-N 0 3 294.398 3.239 50 0 CGAAHN C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000239203147 397668775 /nfs/dbraw/zinc/66/87/75/397668775.db2.gz RUYRAUWKVSWJFK-BVPBIZIASA-N 0 3 267.372 3.459 50 0 CGAAHN COc1cccc(OC)c1OCCN1C[C@H](C)C[C@@H](C)C1 ZINC000004837281 170027070 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/nfs/dbraw/zinc/26/13/74/177261374.db2.gz KQYYOIMPCUIDRZ-ZDUSSCGKSA-N 0 3 284.359 3.093 50 0 CGAAHN CC(C)c1ccccc1OC[C@H](O)CN1CCC(C)CC1 ZINC000001475838 416444408 /nfs/dbraw/zinc/44/44/08/416444408.db2.gz ZMYPNJFMGYZGEG-MRXNPFEDSA-N 0 3 291.435 3.282 50 0 CGAAHN c1cc([C@H]2CCCN(C[C@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676726 543857740 /nfs/dbraw/zinc/85/77/40/543857740.db2.gz DTCOQFMHFPHCRR-LSDHHAIUSA-N 0 3 289.423 3.081 50 0 CGAAHN CC1(C)C[C@@H](N)c2cc(Br)ccc2O1 ZINC000011848962 275856008 /nfs/dbraw/zinc/85/60/08/275856008.db2.gz PXJLFYGCARIYEH-SECBINFHSA-N 0 3 256.143 3.010 50 0 CGAAHN CN1CC=C(c2ccc(Br)cc2)CC1 ZINC000013604473 277023628 /nfs/dbraw/zinc/02/36/28/277023628.db2.gz ZLTVWHVXRJSJMU-UHFFFAOYSA-N 0 3 252.155 3.168 50 0 CGAAHN COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)NCC2 ZINC000004832313 277394985 /nfs/dbraw/zinc/39/49/85/277394985.db2.gz MAHCADRFWTWORG-SFHVURJKSA-N 0 3 283.371 3.247 50 0 CGAAHN COc1ccc(-c2nc3c(s2)[C@H](N)CCC3)cc1 ZINC000050329838 277397341 /nfs/dbraw/zinc/39/73/41/277397341.db2.gz VLWOIPRIEFHMTF-LLVKDONJSA-N 0 3 260.362 3.155 50 0 CGAAHN NC[C@@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000022168349 279634058 /nfs/dbraw/zinc/63/40/58/279634058.db2.gz RVVLOQAOXHQBNA-AWEZNQCLSA-N 0 3 292.835 3.460 50 0 CGAAHN COc1ccc2oc(CN[C@H](C)CC(C)(C)OC)nc2c1 ZINC000534637842 328334539 /nfs/dbraw/zinc/33/45/39/328334539.db2.gz QXXOZNBFAKSEHG-LLVKDONJSA-N 0 3 292.379 3.130 50 0 CGAAHN Cc1cc(C)cc(OC[C@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000005578633 534086427 /nfs/dbraw/zinc/08/64/27/534086427.db2.gz ZGBITCLDOGNTLC-SJLPKXTDSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccccc2)o1 ZINC000035255542 525792067 /nfs/dbraw/zinc/79/20/67/525792067.db2.gz UJQAIFYCDWMSKX-UHFFFAOYSA-N 0 3 267.332 3.268 50 0 CGAAHN O=C(Nc1cccc2ccccc21)N[C@@H]1CN2CCC1CC2 ZINC000005006400 619227852 /nfs/dbraw/zinc/22/78/52/619227852.db2.gz IKADEPQOPOIEBP-QGZVFWFLSA-N 0 3 295.386 3.056 50 0 CGAAHN Cc1ccc([C@@H](C)NC(=O)CN2CCCCCC2)c(C)c1 ZINC000952974763 636776171 /nfs/dbraw/zinc/77/61/71/636776171.db2.gz BZJWYIGSPQCARB-MRXNPFEDSA-N 0 3 288.435 3.357 50 0 CGAAHN CN(Cc1cc(F)ccc1Cl)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529191968 938071705 /nfs/dbraw/zinc/07/17/05/938071705.db2.gz LETMEZPOEDAKIZ-HGSJOUDDSA-N 0 3 297.801 3.460 50 0 CGAAHN CSC[C@H](CCO)N[C@H](C)c1ccc(F)cc1Cl ZINC000095968359 185046925 /nfs/dbraw/zinc/04/69/25/185046925.db2.gz VJXIMLANCGEADC-KOLCDFICSA-N 0 3 291.819 3.244 50 0 CGAAHN C[C@H](COc1ccc(F)cc1)N[C@@H](C)c1ccncc1 ZINC000097032666 185156550 /nfs/dbraw/zinc/15/65/50/185156550.db2.gz GPXJGQCQQHVPIO-OLZOCXBDSA-N 0 3 274.339 3.339 50 0 CGAAHN Fc1ccccc1N1CCN(C[C@@H]2CC=CCC2)CC1 ZINC000023281214 344897818 /nfs/dbraw/zinc/89/78/18/344897818.db2.gz MNZNVDYPBCFPFZ-OAHLLOKOSA-N 0 3 274.383 3.304 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@H](NCc2ccncc2)C1 ZINC000072274485 345408215 /nfs/dbraw/zinc/40/82/15/345408215.db2.gz CYMFWTIYFNNGRB-QAPCUYQASA-N 0 3 281.403 3.007 50 0 CGAAHN Cn1cc(CNCc2cc3cc(F)ccc3s2)cn1 ZINC000097197972 185559511 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288.420 3.189 50 0 CGAAHN CC[C@H](CO)NCc1ccccc1OCc1ccc(C)cc1 ZINC000006744089 170238938 /nfs/dbraw/zinc/23/89/38/170238938.db2.gz QKNYKKGZMVNWIS-GOSISDBHSA-N 0 3 299.414 3.435 50 0 CGAAHN CN(C)C[C@H](NC(=O)CCc1ccccc1)c1ccccc1 ZINC000007816513 170303979 /nfs/dbraw/zinc/30/39/79/170303979.db2.gz OXWINSKYHKYYND-SFHVURJKSA-N 0 3 296.414 3.038 50 0 CGAAHN Cc1[nH]c2c(Cl)cccc2c(=O)c1CN1CCCC1 ZINC000008584528 170342216 /nfs/dbraw/zinc/34/22/16/170342216.db2.gz VPGMRSJOXHUOLH-UHFFFAOYSA-N 0 3 276.767 3.086 50 0 CGAAHN Cc1ccc2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008700833 170346600 /nfs/dbraw/zinc/34/66/00/170346600.db2.gz BGEZXJYWYOMTJB-UHFFFAOYSA-N 0 3 256.349 3.153 50 0 CGAAHN C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000008727357 170349984 /nfs/dbraw/zinc/34/99/84/170349984.db2.gz FTYGKUVHBYFRFL-CQSZACIVSA-N 0 3 286.419 3.201 50 0 CGAAHN CCCCNCc1cc(Br)ccc1F ZINC000019906904 170919156 /nfs/dbraw/zinc/91/91/56/170919156.db2.gz RGRPZOYHRWCMEX-UHFFFAOYSA-N 0 3 260.150 3.478 50 0 CGAAHN COc1ccc(CNC[C@H](O)c2ccccc2)cc1Cl ZINC000020928040 171280294 /nfs/dbraw/zinc/28/02/94/171280294.db2.gz RGEKSGSRGHLZBH-HNNXBMFYSA-N 0 3 291.778 3.172 50 0 CGAAHN Cc1ccc(C(=O)Nc2ccccc2CN(C)C)cc1F ZINC000024643581 171438468 /nfs/dbraw/zinc/43/84/68/171438468.db2.gz NKJOHNWIPMQFCH-UHFFFAOYSA-N 0 3 286.350 3.448 50 0 CGAAHN FC(F)Oc1ccc(Cl)cc1CNC[C@@H]1CCCO1 ZINC000035223356 172067064 /nfs/dbraw/zinc/06/70/64/172067064.db2.gz VRMCUVTYDXMADF-NSHDSACASA-N 0 3 291.725 3.210 50 0 CGAAHN C[C@@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 ZINC000035736805 172389646 /nfs/dbraw/zinc/38/96/46/172389646.db2.gz CRHCNUFSDTWGJL-YPMHNXCESA-N 0 3 274.389 3.015 50 0 CGAAHN CCSC[C@@H](C)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000067742521 175788737 /nfs/dbraw/zinc/78/87/37/175788737.db2.gz COPVYBARKKXJID-SECBINFHSA-N 0 3 283.828 3.448 50 0 CGAAHN CCSC[C@@H](C)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000067742521 175788738 /nfs/dbraw/zinc/78/87/38/175788738.db2.gz COPVYBARKKXJID-SECBINFHSA-N 0 3 283.828 3.448 50 0 CGAAHN C[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nnc(C2CCC2)o1 ZINC000685939535 544110020 /nfs/dbraw/zinc/11/00/20/544110020.db2.gz DSMDHPVUAWZQQN-MRVWCRGKSA-N 0 3 275.396 3.490 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2cccnc2)C1 ZINC000071857567 274278305 /nfs/dbraw/zinc/27/83/05/274278305.db2.gz LREUFWQPTRHVSA-YJBOKZPZSA-N 0 3 281.403 3.007 50 0 CGAAHN CCN(CC)Cc1c(C)[nH]c2ccc(N(C)C)cc2c1=O ZINC000008717509 276109878 /nfs/dbraw/zinc/10/98/78/276109878.db2.gz KMIZQKVCYRSLAL-UHFFFAOYSA-N 0 3 287.407 3.157 50 0 CGAAHN C[C@H](C[C@H](O)c1ccco1)N[C@@H]1CCCc2occc21 ZINC000192968077 279371631 /nfs/dbraw/zinc/37/16/31/279371631.db2.gz FDXMKCXODCSMOY-BNOWGMLFSA-N 0 3 275.348 3.352 50 0 CGAAHN Oc1cccc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688796 280453821 /nfs/dbraw/zinc/45/38/21/280453821.db2.gz PBHDVNKOSVXBHD-MRXNPFEDSA-N 0 3 264.328 3.109 50 0 biogenic CGAAHN Cc1ccc2cccc(NC(=O)C34CCCN3CCC4)c2n1 ZINC000253630173 281145172 /nfs/dbraw/zinc/14/51/72/281145172.db2.gz VANOMLDDMHCZFG-UHFFFAOYSA-N 0 3 295.386 3.110 50 0 CGAAHN COc1ccc2c(c1)[C@H](NCCc1ccccn1)CCCO2 ZINC000089466898 327170323 /nfs/dbraw/zinc/17/03/23/327170323.db2.gz DVVPZJOKPZZCOX-QGZVFWFLSA-N 0 3 298.386 3.136 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@H](O)c2cccs2)o1 ZINC000096486394 534088561 /nfs/dbraw/zinc/08/85/61/534088561.db2.gz XFXAXXZJSPTZPG-MFKMUULPSA-N 0 3 265.378 3.251 50 0 CGAAHN COc1ccc(Cl)cc1CNC[C@H](O)c1ccccc1 ZINC000019872467 524211897 /nfs/dbraw/zinc/21/18/97/524211897.db2.gz OJKFIMNBRYKVMV-HNNXBMFYSA-N 0 3 291.778 3.172 50 0 CGAAHN CC(=O)c1ccc(OCCCN2CCCCC2)cc1 ZINC000002845501 527326595 /nfs/dbraw/zinc/32/65/95/527326595.db2.gz FEKLZNRDNAZOBS-UHFFFAOYSA-N 0 3 261.365 3.144 50 0 CGAAHN CC(C)Cc1nsc(N(CCN(C)C)C2CCCC2)n1 ZINC000225813205 528685060 /nfs/dbraw/zinc/68/50/60/528685060.db2.gz ADAOYIIGPGDQOY-UHFFFAOYSA-N 0 3 296.484 3.047 50 0 CGAAHN COc1ccccc1N1CCN([C@@H]2CCC[C@H](C)C2)CC1 ZINC000004981242 537069922 /nfs/dbraw/zinc/06/99/22/537069922.db2.gz MEPQVZPPPLLVQK-JKSUJKDBSA-N 0 3 288.435 3.396 50 0 CGAAHN COCc1ccccc1CN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000119569808 619283328 /nfs/dbraw/zinc/28/33/28/619283328.db2.gz OMLOPAFFKBSIDL-ZDUSSCGKSA-N 0 3 299.370 3.413 50 0 CGAAHN CCN(Cc1ccncc1)C1CN(CC2CCCCC2)C1 ZINC000581776633 799674257 /nfs/dbraw/zinc/67/42/57/799674257.db2.gz YHTFUMVNEXNCCV-UHFFFAOYSA-N 0 3 287.451 3.168 50 0 CGAAHN CCC[C@H]1C=CCN1Cc1cnn(-c2ccccc2OC)c1 ZINC000822804589 800463774 /nfs/dbraw/zinc/46/37/74/800463774.db2.gz GKBBLLCMQCIDGO-INIZCTEOSA-N 0 3 297.402 3.421 50 0 CGAAHN CC(C)[C@H](C)N(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000095962557 185044437 /nfs/dbraw/zinc/04/44/37/185044437.db2.gz SMPVQRWRTBSDFA-ZDUSSCGKSA-N 0 3 275.371 3.488 50 0 CGAAHN CC(C)CC[C@@](C)(O)CN[C@@H](C)c1cncc(F)c1 ZINC000095968332 185046157 /nfs/dbraw/zinc/04/61/57/185046157.db2.gz VSLIYFHEASXTKQ-SWLSCSKDSA-N 0 3 268.376 3.059 50 0 CGAAHN CC(C)=CCN(C)CCOC(=O)c1cscc1C ZINC000096013274 185065482 /nfs/dbraw/zinc/06/54/82/185065482.db2.gz JKQXFVCJUIRXLN-UHFFFAOYSA-N 0 3 267.394 3.111 50 0 CGAAHN CCn1ncc2c1CCC[C@H]2NCc1ccc(OC)cc1 ZINC000072298478 345408741 /nfs/dbraw/zinc/40/87/41/345408741.db2.gz PZVGOUOLNIKLFU-MRXNPFEDSA-N 0 3 285.391 3.079 50 0 CGAAHN CC[C@H]1CN(Cc2cccc(N(C)C)c2)CCS1 ZINC000076072756 345532167 /nfs/dbraw/zinc/53/21/67/345532167.db2.gz UQZSEQOUFUDERE-HNNXBMFYSA-N 0 3 264.438 3.080 50 0 CGAAHN CC(C)Oc1cc(Br)ccc1[C@@H](C)N ZINC000132046161 346069217 /nfs/dbraw/zinc/06/92/17/346069217.db2.gz DSXPLGRXWGQXCN-MRVPVSSYSA-N 0 3 258.159 3.256 50 0 CGAAHN CCc1nccn1C[C@@H](C)NC1(c2ccccc2C)CC1 ZINC000584889717 346722197 /nfs/dbraw/zinc/72/21/97/346722197.db2.gz FUXRPDQOWHUJEV-OAHLLOKOSA-N 0 3 283.419 3.421 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN2CCC[C@@H]2CO)o1 ZINC000092470759 180392860 /nfs/dbraw/zinc/39/28/60/180392860.db2.gz GSNHQDNGQVONHH-CYBMUJFWSA-N 0 3 289.350 3.351 50 0 CGAAHN CS[C@@H]1CC[C@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000110641678 186308287 /nfs/dbraw/zinc/30/82/87/186308287.db2.gz ZKWKUCCKOHWCBC-NWDGAFQWSA-N 0 3 270.829 3.451 50 0 CGAAHN Fc1ccc(C2(CNCc3ncc[nH]3)CC2)c(Cl)c1 ZINC000154252841 188131304 /nfs/dbraw/zinc/13/13/04/188131304.db2.gz FDTVOCMESXSRBG-UHFFFAOYSA-N 0 3 279.746 3.024 50 0 CGAAHN c1ccc(N[C@H]2CCCN(CCc3ccncc3)C2)cc1 ZINC000154894249 188168132 /nfs/dbraw/zinc/16/81/32/188168132.db2.gz WVIIHAQZPVDNQK-SFHVURJKSA-N 0 3 281.403 3.201 50 0 CGAAHN Fc1cccnc1NC1CCN(CCc2ccccc2)CC1 ZINC000176835321 189011003 /nfs/dbraw/zinc/01/10/03/189011003.db2.gz FQYDKIRRWMENLD-UHFFFAOYSA-N 0 3 299.393 3.340 50 0 CGAAHN CN(C)CCO[C@H](c1ccc(Cl)cc1)c1ccccn1 ZINC000000002043 368269833 /nfs/dbraw/zinc/26/98/33/368269833.db2.gz OJFSXZCBGQGRNV-MRXNPFEDSA-N 0 3 290.794 3.403 50 0 fda CGAAHN C[C@H](CN1CCC(C)CC1)OC(=O)c1cccs1 ZINC000000808187 368396014 /nfs/dbraw/zinc/39/60/14/368396014.db2.gz TXRDBDWBHMVYCY-GFCCVEGCSA-N 0 3 267.394 3.025 50 0 CGAAHN CC(=O)c1ccc(OCCCN2CCC[C@H](C)C2)cc1 ZINC000002009074 368443726 /nfs/dbraw/zinc/44/37/26/368443726.db2.gz UDOGRGCITVUWOQ-AWEZNQCLSA-N 0 3 275.392 3.390 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1)NCC2 ZINC000004026862 368527044 /nfs/dbraw/zinc/52/70/44/368527044.db2.gz KUYBDOWEEWZIMG-KKUMJFAQSA-N 0 3 265.784 3.296 50 0 biogenic CGAAHN Cc1c([C@@H](C)NC2CCC2)cnn1-c1ccccc1 ZINC000011817267 368597426 /nfs/dbraw/zinc/59/74/26/368597426.db2.gz HOZCHFGFGRULQL-GFCCVEGCSA-N 0 3 255.365 3.384 50 0 CGAAHN COc1cccc(C(=O)[C@H]2CCCN(C3CCC3)C2)c1 ZINC000014967203 368687400 /nfs/dbraw/zinc/68/74/00/368687400.db2.gz PHYMOCXBGILPDH-AWEZNQCLSA-N 0 3 273.376 3.142 50 0 CGAAHN COc1ccc(Cl)cc1CNC[C@@H](O)c1ccccc1 ZINC000019872465 368773784 /nfs/dbraw/zinc/77/37/84/368773784.db2.gz OJKFIMNBRYKVMV-OAHLLOKOSA-N 0 3 291.778 3.172 50 0 CGAAHN c1ccc(CCC[C@@H]2CN(C3CCC3)CCO2)cc1 ZINC000019299910 368747772 /nfs/dbraw/zinc/74/77/72/368747772.db2.gz AZEVCRCQPVFSTR-QGZVFWFLSA-N 0 3 259.393 3.263 50 0 CGAAHN Cc1ccc(CNC[C@@H](c2ccco2)N2CCCC2)o1 ZINC000023257837 368818053 /nfs/dbraw/zinc/81/80/53/368818053.db2.gz JPAIHELYEWSNCM-HNNXBMFYSA-N 0 3 274.364 3.108 50 0 CGAAHN COc1ccc(CC[C@H](C)NCc2ccco2)cc1 ZINC000023283534 368820487 /nfs/dbraw/zinc/82/04/87/368820487.db2.gz RYSCDVYACDVDPI-ZDUSSCGKSA-N 0 3 259.349 3.399 50 0 CGAAHN NC[C@@H](c1ccccc1Cl)N1CCCCCC1 ZINC000038526553 369146670 /nfs/dbraw/zinc/14/66/70/369146670.db2.gz ZWIQYOYNKDZSIM-AWEZNQCLSA-N 0 3 252.789 3.216 50 0 CGAAHN Cc1ccc([C@@H](C)N(C)Cc2ccc(C(N)=O)cc2)s1 ZINC000052132554 369466309 /nfs/dbraw/zinc/46/63/09/369466309.db2.gz FHAZAUZVBLFBHY-GFCCVEGCSA-N 0 3 288.416 3.348 50 0 CGAAHN Cc1ccoc1C(=O)N(CCN1CCCCCC1)C(C)C ZINC000055360928 369514645 /nfs/dbraw/zinc/51/46/45/369514645.db2.gz RXXWRRGCSRNCID-UHFFFAOYSA-N 0 3 292.423 3.315 50 0 CGAAHN COCC[C@H]1CCCCN1Cc1cccc(C(C)=O)c1 ZINC000065467847 369677319 /nfs/dbraw/zinc/67/73/19/369677319.db2.gz DFCPYWMAOQXQMA-QGZVFWFLSA-N 0 3 275.392 3.280 50 0 CGAAHN O=C(CNCc1csc2ccccc12)N1CCCCC1 ZINC000067672836 369724252 /nfs/dbraw/zinc/72/42/52/369724252.db2.gz OYEFYCQIXOXBHM-UHFFFAOYSA-N 0 3 288.416 3.003 50 0 CGAAHN COc1ccc(CN2CCCC2)cc1Oc1ccc(C)nn1 ZINC000067726409 369727210 /nfs/dbraw/zinc/72/72/10/369727210.db2.gz KYRSEHBDVQFFME-UHFFFAOYSA-N 0 3 299.374 3.182 50 0 CGAAHN CCc1ccc([C@H](C)N[C@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532267 370062197 /nfs/dbraw/zinc/06/21/97/370062197.db2.gz AEHDOJTUQAXDDM-PWSUYJOCSA-N 0 3 261.369 3.155 50 0 CGAAHN CCc1ccc([C@H](C)N[C@H](C)Cc2cc(C)[nH]n2)o1 ZINC000090532267 370062200 /nfs/dbraw/zinc/06/22/00/370062200.db2.gz AEHDOJTUQAXDDM-PWSUYJOCSA-N 0 3 261.369 3.155 50 0 CGAAHN COc1ccc2c(c1)CCC[C@@H]2CNCc1cscn1 ZINC000097145317 370231089 /nfs/dbraw/zinc/23/10/89/370231089.db2.gz NPWZINXCVJYBBN-CYBMUJFWSA-N 0 3 288.416 3.361 50 0 CGAAHN CNc1cc(C)nc(-c2ccc([C@H](C)N(C)C)cc2)n1 ZINC000097243660 370236338 /nfs/dbraw/zinc/23/63/38/370236338.db2.gz QTHDJNYGVKWAKB-LBPRGKRZSA-N 0 3 270.380 3.116 50 0 CGAAHN C[C@@H](Cc1cnccn1)N(C)C/C=C/c1ccc(F)cc1 ZINC000097244096 370236613 /nfs/dbraw/zinc/23/66/13/370236613.db2.gz TYGFHYBCNGRVBN-XGACYXMMSA-N 0 3 285.366 3.192 50 0 CGAAHN C[C@@H](NCCSc1ccccc1F)c1cnn(C)c1 ZINC000095422367 370188323 /nfs/dbraw/zinc/18/83/23/370188323.db2.gz KQPZUPKGHAGUTC-LLVKDONJSA-N 0 3 279.384 3.002 50 0 CGAAHN C[C@H](CC(=O)N1CCCCCC1)NCc1ccsc1 ZINC000095420295 370189015 /nfs/dbraw/zinc/18/90/15/370189015.db2.gz MEGXASJFKMQNFN-CYBMUJFWSA-N 0 3 280.437 3.019 50 0 CGAAHN COc1cc(C(C)=O)ccc1SCC[C@@H]1CCCN1C ZINC000095442188 370194337 /nfs/dbraw/zinc/19/43/37/370194337.db2.gz RDIUPIRJVKRUAJ-AWEZNQCLSA-N 0 3 293.432 3.474 50 0 CGAAHN CN(Cc1cnc2ccccn12)C[C@H]1CC=CCC1 ZINC000097744720 370252144 /nfs/dbraw/zinc/25/21/44/370252144.db2.gz NADWVSADDRRVBD-AWEZNQCLSA-N 0 3 255.365 3.122 50 0 CGAAHN C[C@@H](N[C@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793887 370451868 /nfs/dbraw/zinc/45/18/68/370451868.db2.gz CQXQAIDOZIYLOU-PWSUYJOCSA-N 0 3 271.307 3.118 50 0 CGAAHN CCN1CCC(N(C)C(=O)Nc2cccc(Cl)c2)CC1 ZINC000012973136 541852502 /nfs/dbraw/zinc/85/25/02/541852502.db2.gz KPFJGYPCEJSXLH-UHFFFAOYSA-N 0 3 295.814 3.288 50 0 CGAAHN C[C@H](CCN[C@@H](C)c1cc2ccccc2o1)[S@](C)=O ZINC000170062281 372634814 /nfs/dbraw/zinc/63/48/14/372634814.db2.gz HYDCJDRJMBQMNG-UFYHVXEKSA-N 0 3 279.405 3.241 50 0 CGAAHN CCN(Cc1cccc(Cl)c1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000225468384 376313237 /nfs/dbraw/zinc/31/32/37/376313237.db2.gz MQKZMEYFRFKSJV-AWEZNQCLSA-N 0 3 293.794 3.258 50 0 CGAAHN FC(F)CN1CCCN([C@H]2C=CCCCCC2)CC1 ZINC000225847498 376329433 /nfs/dbraw/zinc/32/94/33/376329433.db2.gz ZJIKVAPKMBNTJN-AWEZNQCLSA-N 0 3 272.383 3.148 50 0 CGAAHN CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000229720123 376470448 /nfs/dbraw/zinc/47/04/48/376470448.db2.gz UVVCEZALBQSUGV-GOEBONIOSA-N 0 3 288.435 3.169 50 0 CGAAHN Cc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)o1 ZINC000248705096 377385336 /nfs/dbraw/zinc/38/53/36/377385336.db2.gz HICNCZLMQPSFKT-MXYBEHONSA-N 0 3 261.365 3.196 50 0 CGAAHN CC[C@H](CN1CCN(C(C)=O)CC1(C)C)c1ccccc1 ZINC000253419065 377691176 /nfs/dbraw/zinc/69/11/76/377691176.db2.gz HRYICMXIYYPAIY-MRXNPFEDSA-N 0 3 288.435 3.123 50 0 CGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2[nH]cc(C)c(=O)c2C)c1 ZINC000253537099 377697533 /nfs/dbraw/zinc/69/75/33/377697533.db2.gz XMZFWSOZERFXKY-CQSZACIVSA-N 0 3 299.418 3.170 50 0 CGAAHN CC[C@@H](c1cccc(OC)c1)N(C)Cc1cnc[nH]1 ZINC000289401116 197329158 /nfs/dbraw/zinc/32/91/58/197329158.db2.gz LAUGPNVAUOJVRA-HNNXBMFYSA-N 0 3 259.353 3.001 50 0 CGAAHN CCOC(=O)c1n[nH]cc1CN([C@H](C)CC)C1CCCC1 ZINC000055041996 392095631 /nfs/dbraw/zinc/09/56/31/392095631.db2.gz SETKBYYAZHHKFI-GFCCVEGCSA-N 0 3 293.411 3.130 50 0 CGAAHN Cc1ccc([C@](C)(O)CN[C@H]2CCCc3occc32)o1 ZINC000192900265 392864396 /nfs/dbraw/zinc/86/43/96/392864396.db2.gz UUAQQNPGXPIJDT-XJKSGUPXSA-N 0 3 275.348 3.056 50 0 CGAAHN COc1cc(CN(C)CCc2scnc2C)ccc1F ZINC000216523522 392991460 /nfs/dbraw/zinc/99/14/60/392991460.db2.gz UKEKWKSVLWHWER-UHFFFAOYSA-N 0 3 294.395 3.274 50 0 CGAAHN Cc1cc([C@H]2CCCN2C2CCSCC2)on1 ZINC000252507845 393124754 /nfs/dbraw/zinc/12/47/54/393124754.db2.gz WUSPEWKZOAGXOY-GFCCVEGCSA-N 0 3 252.383 3.016 50 0 CGAAHN CN1CCCCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000670437725 543154619 /nfs/dbraw/zinc/15/46/19/543154619.db2.gz RHHXSNSYEBFKJC-CYBMUJFWSA-N 0 3 256.353 3.019 50 0 CGAAHN Cc1ccc(C(F)(F)F)cc1CN1CCC[C@H](O)CC1 ZINC000670458556 543156783 /nfs/dbraw/zinc/15/67/83/543156783.db2.gz QEZFZOWZANITFM-AWEZNQCLSA-N 0 3 287.325 3.361 50 0 CGAAHN CN(Cc1ccc(C(F)(F)F)cc1)CC1(CO)CCC1 ZINC000670461269 543157019 /nfs/dbraw/zinc/15/70/19/543157019.db2.gz BAUDTEMTHDJXLZ-UHFFFAOYSA-N 0 3 287.325 3.300 50 0 CGAAHN COc1ccc2nc(C)cc(N3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000101468457 397644961 /nfs/dbraw/zinc/64/49/61/397644961.db2.gz LMJXRJNCKLMDRB-BETUJISGSA-N 0 3 286.375 3.165 50 0 CGAAHN Cc1cc(C)c2oc(=O)cc(CN3CCCCC3)c2c1 ZINC000002120089 169775528 /nfs/dbraw/zinc/77/55/28/169775528.db2.gz XHNPNIGLSMAPQO-UHFFFAOYSA-N 0 3 271.360 3.396 50 0 biogenic CGAAHN CNCc1cccc(OC)c1OCc1ccccc1F ZINC000004850683 170030141 /nfs/dbraw/zinc/03/01/41/170030141.db2.gz MLZYAGDALNIAQK-UHFFFAOYSA-N 0 3 275.323 3.133 50 0 CGAAHN c1cc(OCCOCCN2CCCCC2)cc2c1CCC2 ZINC000004868963 170034096 /nfs/dbraw/zinc/03/40/96/170034096.db2.gz HTXROQLEQGMKDA-UHFFFAOYSA-N 0 3 289.419 3.057 50 0 CGAAHN CC[C@H](C)NCc1cc(Br)ccc1OC ZINC000005907913 170153798 /nfs/dbraw/zinc/15/37/98/170153798.db2.gz DGWKDOTVDYDRSH-VIFPVBQESA-N 0 3 272.186 3.346 50 0 CGAAHN CN(CCOc1ccccc1)CCOc1ccccc1 ZINC000006079069 170174766 /nfs/dbraw/zinc/17/47/66/170174766.db2.gz DZBVWSMYZGNMCK-UHFFFAOYSA-N 0 3 271.360 3.076 50 0 CGAAHN Cc1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000010017788 170395247 /nfs/dbraw/zinc/39/52/47/170395247.db2.gz PGTYURBANDVOPC-KRWDZBQOSA-N 0 3 282.387 3.028 50 0 CGAAHN CC1=C(CCN2CCN(C)CC2)C(C)(C)CCC1 ZINC000019608982 170830687 /nfs/dbraw/zinc/83/06/87/170830687.db2.gz YHIDSGVAXWMPRJ-UHFFFAOYSA-N 0 3 250.430 3.151 50 0 CGAAHN C[C@@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](C)C1 ZINC000021670687 171319055 /nfs/dbraw/zinc/31/90/55/171319055.db2.gz PWMGLQXNLNSDGX-STQMWFEESA-N 0 3 294.826 3.077 50 0 CGAAHN c1ccc([C@H]2NCCN=C2NC2CCCCCC2)cc1 ZINC000021883568 171335957 /nfs/dbraw/zinc/33/59/57/171335957.db2.gz GXNDJWXUTYLMRI-MRXNPFEDSA-N 0 3 271.408 3.042 50 0 CGAAHN CCN[C@@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035553098 172260363 /nfs/dbraw/zinc/26/03/63/172260363.db2.gz DCNHBMPRIJUYSR-GFCCVEGCSA-N 0 3 252.770 3.495 50 0 CGAAHN C[C@H]1CCCN(CCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000040145629 174195019 /nfs/dbraw/zinc/19/50/19/174195019.db2.gz SFZZFUJWBJHBSB-LBPRGKRZSA-N 0 3 295.814 3.193 50 0 CGAAHN C/C=C1\CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000071404345 176155534 /nfs/dbraw/zinc/15/55/34/176155534.db2.gz TWRIMOCPODQOBZ-GGWMKZFJSA-N 0 3 294.398 3.309 50 0 CGAAHN Fc1ccc(CC[C@@H]2CCCN(Cc3c[nH]cn3)C2)cc1 ZINC000071759147 176260900 /nfs/dbraw/zinc/26/09/00/176260900.db2.gz VHHOHJUDGWIMJG-HNNXBMFYSA-N 0 3 287.382 3.394 50 0 CGAAHN Fc1ccc(CC[C@@H]2CCCN(Cc3cnc[nH]3)C2)cc1 ZINC000071759147 176260901 /nfs/dbraw/zinc/26/09/01/176260901.db2.gz VHHOHJUDGWIMJG-HNNXBMFYSA-N 0 3 287.382 3.394 50 0 CGAAHN C[C@@H]1CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000013669932 260074961 /nfs/dbraw/zinc/07/49/61/260074961.db2.gz APPLKGQVARMUQH-OAHLLOKOSA-N 0 3 286.419 3.155 50 0 CGAAHN O[C@@H](CNCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000095883364 260557956 /nfs/dbraw/zinc/55/79/56/260557956.db2.gz RZAXFKGKFNQOES-HNNXBMFYSA-N 0 3 293.313 3.111 50 0 CGAAHN C[C@H](CNC(=O)NC1CCCCCC1)N1CCC(C)CC1 ZINC000072044364 274488724 /nfs/dbraw/zinc/48/87/24/274488724.db2.gz VMJDJERPTKFZCN-OAHLLOKOSA-N 0 3 295.471 3.129 50 0 CGAAHN Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1 ZINC000022055590 274727452 /nfs/dbraw/zinc/72/74/52/274727452.db2.gz FHPIXVHJEIZKJW-UHFFFAOYSA-N 0 3 298.415 3.097 50 0 world CGAAHN Cc1cccc(NC(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000008752988 274794910 /nfs/dbraw/zinc/79/49/10/274794910.db2.gz IAFPFTDOCKXRGK-QGZVFWFLSA-N 0 3 297.402 3.419 50 0 CGAAHN CCN1CCC[C@@H]1CN1c2cccc3cccc(c23)C1=O ZINC000095382548 276170981 /nfs/dbraw/zinc/17/09/81/276170981.db2.gz QCDGRCDDKAHUMI-CQSZACIVSA-N 0 3 280.371 3.284 50 0 CGAAHN Clc1cccc(N2CC[C@H](NCc3cccnc3)C2)c1 ZINC000096456835 534644793 /nfs/dbraw/zinc/64/47/93/534644793.db2.gz GWJUAAVANXWEQY-HNNXBMFYSA-N 0 3 287.794 3.104 50 0 CGAAHN CN(Cc1cccnc1N)C[C@@]1(c2ccccc2)CC1(C)C ZINC000952964532 616082204 /nfs/dbraw/zinc/08/22/04/616082204.db2.gz NZDZKANTWQXMBE-LJQANCHMSA-N 0 3 295.430 3.464 50 0 CGAAHN C[C@@H](CC(F)(F)F)NCc1ccc2nsnc2c1 ZINC000820978119 800455721 /nfs/dbraw/zinc/45/57/21/800455721.db2.gz RWSBMHBBQGEHAZ-ZETCQYMHSA-N 0 3 275.299 3.122 50 0 CGAAHN C[C@]12CC3CC(CN4CCOCC4)(C1)C[C@@](C)(C3)C2 ZINC000095531966 185004802 /nfs/dbraw/zinc/00/48/02/185004802.db2.gz KKYFMJUEKBLGHW-HPZPOOBXSA-N 0 3 263.425 3.315 50 0 CGAAHN C[C@H](NCCCc1cc(F)cc(F)c1)c1cnccn1 ZINC000097032899 185156277 /nfs/dbraw/zinc/15/62/77/185156277.db2.gz YRJCNTJCZMVHAE-NSHDSACASA-N 0 3 277.318 3.038 50 0 CGAAHN CC[C@@H](NCc1ncccc1C(F)(F)F)[C@H]1CCCO1 ZINC000097035058 185157656 /nfs/dbraw/zinc/15/76/56/185157656.db2.gz VCGPBNRDPPYQHL-DGCLKSJQSA-N 0 3 288.313 3.148 50 0 CGAAHN COc1cccc(CN2CCC[C@@H]2c2ccncc2)c1 ZINC000125518929 187189200 /nfs/dbraw/zinc/18/92/00/187189200.db2.gz RHWVCWYURZNZNS-QGZVFWFLSA-N 0 3 268.360 3.427 50 0 CGAAHN CN(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1 ZINC000007786522 529835120 /nfs/dbraw/zinc/83/51/20/529835120.db2.gz QKBSZIWYHOFIPJ-UHFFFAOYSA-N 0 3 294.826 3.221 50 0 CGAAHN CC(C)c1nnc(CN[C@H](C)[C@@H](C)c2ccccc2)n1C ZINC000097110032 185535562 /nfs/dbraw/zinc/53/55/62/185535562.db2.gz DYCOXSAEFQEPIM-ZIAGYGMSSA-N 0 3 286.423 3.220 50 0 CGAAHN Cc1cc(Cl)ccc1CN1CCC(OCCCO)CC1 ZINC000195566224 346274213 /nfs/dbraw/zinc/27/42/13/346274213.db2.gz VNEZKUHODFMGBV-UHFFFAOYSA-N 0 3 297.826 3.012 50 0 CGAAHN C[C@@H](CC(F)(F)F)NCc1ccc(-n2cccn2)cc1 ZINC000157604848 188328044 /nfs/dbraw/zinc/32/80/44/188328044.db2.gz HXZRHCCCAVMUDI-NSHDSACASA-N 0 3 283.297 3.303 50 0 CGAAHN O=C(NCCN1CCCCC1)Nc1cccc2ccccc21 ZINC000000124866 368296045 /nfs/dbraw/zinc/29/60/45/368296045.db2.gz HRLTXTHLGGUTHM-UHFFFAOYSA-N 0 3 297.402 3.447 50 0 CGAAHN CCOCCCNCc1cc(Cl)ccc1OCC ZINC000002178137 368448875 /nfs/dbraw/zinc/44/88/75/368448875.db2.gz HOWXVEQSUZIWQX-UHFFFAOYSA-N 0 3 271.788 3.255 50 0 CGAAHN OCCNCc1cc(Cl)ccc1OCc1ccccc1 ZINC000004670742 368556334 /nfs/dbraw/zinc/55/63/34/368556334.db2.gz XHFNUKUZWHMXMR-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN CC(=O)c1cccc(OCCCN2CCC[C@H](C)C2)c1 ZINC000004870339 368558767 /nfs/dbraw/zinc/55/87/67/368558767.db2.gz BISMXCWBLKDMJP-AWEZNQCLSA-N 0 3 275.392 3.390 50 0 CGAAHN CCOCCCN[C@@H](c1ccccc1)c1ccncc1 ZINC000004537815 368549162 /nfs/dbraw/zinc/54/91/62/368549162.db2.gz NHRQXELOVFXXSD-KRWDZBQOSA-N 0 3 270.376 3.187 50 0 CGAAHN Cc1cccc(C(=O)O[C@@H](C)CN2CCCCC2)c1 ZINC000004552907 368550340 /nfs/dbraw/zinc/55/03/40/368550340.db2.gz IMINSZZAJSJCJP-AWEZNQCLSA-N 0 3 261.365 3.026 50 0 CGAAHN Cc1ccccc1Oc1ncccc1CNC1CCOCC1 ZINC000015066362 368690155 /nfs/dbraw/zinc/69/01/55/368690155.db2.gz FCCKDFIKAJQZJK-UHFFFAOYSA-N 0 3 298.386 3.451 50 0 CGAAHN COc1ccc(Cl)cc1NC(=O)CNC1CCCCC1 ZINC000016578098 368714720 /nfs/dbraw/zinc/71/47/20/368714720.db2.gz XCMPKGIWLBIXBT-UHFFFAOYSA-N 0 3 296.798 3.209 50 0 CGAAHN COc1cccc(CNCCc2cccc(F)c2)c1OC ZINC000019720630 368760794 /nfs/dbraw/zinc/76/07/94/368760794.db2.gz ZZEIXDWOKFBYCF-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN c1coc(CN[C@H]2CCCN(CCCc3ccccc3)C2)c1 ZINC000019771112 368764481 /nfs/dbraw/zinc/76/44/81/368764481.db2.gz VGWBPGXNMWBIFN-SFHVURJKSA-N 0 3 298.430 3.466 50 0 CGAAHN O[C@H]1CCCN(Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC000019810535 368769167 /nfs/dbraw/zinc/76/91/67/368769167.db2.gz BSUYZWOOHOUYRP-SFHVURJKSA-N 0 3 285.362 3.449 50 0 CGAAHN CN1CCCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000019536943 368756980 /nfs/dbraw/zinc/75/69/80/368756980.db2.gz VWJAYGIZVFLNFB-UHFFFAOYSA-N 0 3 273.207 3.131 50 0 CGAAHN C[C@@H](CN1CCCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000027355525 368870229 /nfs/dbraw/zinc/87/02/29/368870229.db2.gz BQWOLWBHKQKCEI-LBPRGKRZSA-N 0 3 295.814 3.336 50 0 CGAAHN C[C@@H](NCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028925570 368890416 /nfs/dbraw/zinc/89/04/16/368890416.db2.gz JZBLQLKSOLTTKX-CYBMUJFWSA-N 0 3 295.386 3.281 50 0 CGAAHN Cc1ccc(Cl)cc1NC(=O)CNCC1CCCC1 ZINC000036823818 369031498 /nfs/dbraw/zinc/03/14/98/369031498.db2.gz PCRVRLQTIQCQLE-UHFFFAOYSA-N 0 3 280.799 3.367 50 0 CGAAHN FC(F)SCc1ccc(CNC[C@H]2CCCO2)o1 ZINC000035014489 368989349 /nfs/dbraw/zinc/98/93/49/368989349.db2.gz JMHJWYPIPJRQRO-SECBINFHSA-N 0 3 277.336 3.004 50 0 CGAAHN N[C@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000037761758 369105090 /nfs/dbraw/zinc/10/50/90/369105090.db2.gz IAYYWQKHEGNAIJ-MRXNPFEDSA-N 0 3 252.292 3.422 50 0 CGAAHN C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(Cl)cc2)C1 ZINC000048482607 369356178 /nfs/dbraw/zinc/35/61/78/369356178.db2.gz SLQFVDJIELOVDC-CHWSQXEVSA-N 0 3 294.826 3.048 50 0 CGAAHN C[C@H]1c2ccsc2CCN1C[C@H](O)c1ccccc1 ZINC000049538414 369407568 /nfs/dbraw/zinc/40/75/68/369407568.db2.gz DNQWBESNVTWRNM-WFASDCNBSA-N 0 3 273.401 3.401 50 0 CGAAHN c1cc2c(cccc2N2CCN(Cc3ccccc3)CC2)[nH]1 ZINC000053006914 369476592 /nfs/dbraw/zinc/47/65/92/369476592.db2.gz JLZIBIQTDGMAFZ-UHFFFAOYSA-N 0 3 291.398 3.490 50 0 in-vivo CGAAHN O=C(Nc1ccccc1)[C@H]1CCCN1C1CCCCC1 ZINC000055095307 369510692 /nfs/dbraw/zinc/51/06/92/369510692.db2.gz RESWNLDCSHJKQL-MRXNPFEDSA-N 0 3 272.392 3.422 50 0 CGAAHN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@@H](C)C1 ZINC000058271193 369561814 /nfs/dbraw/zinc/56/18/14/369561814.db2.gz ASQSWICOWUXMKR-OLZOCXBDSA-N 0 3 294.826 3.077 50 0 CGAAHN CC(C)C[C@@]1(CO)CCCN(Cc2cccs2)C1 ZINC000065435322 369675895 /nfs/dbraw/zinc/67/58/95/369675895.db2.gz MBDWENRCFBGIJR-HNNXBMFYSA-N 0 3 267.438 3.369 50 0 CGAAHN C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460268 369760217 /nfs/dbraw/zinc/76/02/17/369760217.db2.gz NVWCMVPHPUKQHQ-CHWSQXEVSA-N 0 3 296.374 3.022 50 0 CGAAHN C[C@@H](O)[C@H]1CCCCN1Cc1ccc(F)c2cccnc12 ZINC000069630122 369766216 /nfs/dbraw/zinc/76/62/16/369766216.db2.gz NACBVWGUOURYQI-MLGOLLRUSA-N 0 3 288.366 3.109 50 0 CGAAHN Cc1ccc(Oc2ccc(CN3CCCC3)cc2F)nn1 ZINC000067934409 369735253 /nfs/dbraw/zinc/73/52/53/369735253.db2.gz ZVTPRLVFYBBJEP-UHFFFAOYSA-N 0 3 287.338 3.312 50 0 CGAAHN CN(C)[C@H](CNc1nccc2occc21)Cc1ccccc1 ZINC000089313906 370040364 /nfs/dbraw/zinc/04/03/64/370040364.db2.gz QLONRQKJUOGVQO-HNNXBMFYSA-N 0 3 295.386 3.413 50 0 CGAAHN Cc1nnc(CN[C@H](Cc2ccccc2)C2CCCC2)n1C ZINC000097034227 370216104 /nfs/dbraw/zinc/21/61/04/370216104.db2.gz PIFPFYHZRPQQTK-QGZVFWFLSA-N 0 3 298.434 3.015 50 0 CGAAHN CCC(CC)[C@H]1C[C@H](NCc2cncs2)CCO1 ZINC000097047089 370219481 /nfs/dbraw/zinc/21/94/81/370219481.db2.gz QRNWORPWYXGXIJ-TZMCWYRMSA-N 0 3 268.426 3.217 50 0 CGAAHN Cc1cccc(CN[C@H](C)CSC(C)(C)C)n1 ZINC000095420622 370187760 /nfs/dbraw/zinc/18/77/60/370187760.db2.gz SEAGJIYKESNDRC-GFCCVEGCSA-N 0 3 252.427 3.400 50 0 CGAAHN C[C@H](NC[C@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423034 370189813 /nfs/dbraw/zinc/18/98/13/370189813.db2.gz GMSVGVDCHZKWLR-NHYWBVRUSA-N 0 3 279.380 3.446 50 0 CGAAHN c1ccc([C@H](C[C@@H]2CCOC2)NCc2ccccn2)cc1 ZINC000095435735 370192704 /nfs/dbraw/zinc/19/27/04/370192704.db2.gz YLXBSSPLEVCBSU-YJBOKZPZSA-N 0 3 282.387 3.339 50 0 CGAAHN CCn1nc(-c2ccncc2)nc1[C@@H](N)CC1CCCCC1 ZINC000096152495 370204487 /nfs/dbraw/zinc/20/44/87/370204487.db2.gz NEIXSYAKLUFBLD-HNNXBMFYSA-N 0 3 299.422 3.330 50 0 CGAAHN O=C(CSC1=NCCN1)C12CC3CC(CC(C3)C1)C2 ZINC000100870569 370284555 /nfs/dbraw/zinc/28/45/55/370284555.db2.gz DBFPTGBWDUXKDQ-LCYFTJDESA-N 0 3 278.421 3.295 50 0 CGAAHN CCN(CCOC)Cc1ccc2cc(Cl)ccc2n1 ZINC000219920679 376204886 /nfs/dbraw/zinc/20/48/86/376204886.db2.gz LJTXQRWYOKMPTP-UHFFFAOYSA-N 0 3 278.783 3.357 50 0 CGAAHN CC(C)(C)SCCNCc1ccc2c(c1)OCCO2 ZINC000084240985 541933082 /nfs/dbraw/zinc/93/30/82/541933082.db2.gz AUWVLQPZBGWLEX-UHFFFAOYSA-N 0 3 281.421 3.079 50 0 CGAAHN c1cc(-c2noc(CN3CCC[C@H]3C3CCC3)n2)co1 ZINC000084618104 541933667 /nfs/dbraw/zinc/93/36/67/541933667.db2.gz OARVAWFFHSJCMR-ZDUSSCGKSA-N 0 3 273.336 3.094 50 0 CGAAHN C[C@@H](N[C@@H](C)COc1ccc(F)cc1)c1cccnc1 ZINC000092740241 541976871 /nfs/dbraw/zinc/97/68/71/541976871.db2.gz ZXXBCWJVCBDXTA-QWHCGFSZSA-N 0 3 274.339 3.339 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000195529994 376112014 /nfs/dbraw/zinc/11/20/14/376112014.db2.gz BJEUFPWCOVJBPU-MAUKXSAKSA-N 0 3 281.403 3.007 50 0 CGAAHN Cc1cc(CN2CCCC[C@@H]2CCc2ccccn2)on1 ZINC000215954886 376154753 /nfs/dbraw/zinc/15/47/53/376154753.db2.gz XGRJZAZAWMYZTP-MRXNPFEDSA-N 0 3 285.391 3.365 50 0 CGAAHN C[C@H](Cc1ccccn1)N(C)Cc1ccc(Cl)o1 ZINC000216099316 376159815 /nfs/dbraw/zinc/15/98/15/376159815.db2.gz JMNFGFYMTDUGKZ-LLVKDONJSA-N 0 3 264.756 3.391 50 0 CGAAHN Cc1nc(CN2CCCC[C@H]2CCc2ccc(O)cc2)c[nH]1 ZINC000216425270 376164440 /nfs/dbraw/zinc/16/44/40/376164440.db2.gz GCWUFCPSZXVWTH-KRWDZBQOSA-N 0 3 299.418 3.411 50 0 CGAAHN CCn1cnnc1CN[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000222035988 376227510 /nfs/dbraw/zinc/22/75/10/376227510.db2.gz ODYBYSUUFKVNGI-HZPDHXFCSA-N 0 3 284.407 3.114 50 0 CGAAHN Cc1cccc([C@H]2CCN(C[C@H](O)CC(F)(F)F)C2)c1 ZINC000225548030 376316362 /nfs/dbraw/zinc/31/63/62/376316362.db2.gz KRGRTWXJMAWMNM-UONOGXRCSA-N 0 3 287.325 3.098 50 0 CGAAHN Cc1nc(CN[C@@H]2CCCC23CCOCC3)c(C)s1 ZINC000225726658 376323429 /nfs/dbraw/zinc/32/34/29/376323429.db2.gz BTSXBESCQVBKKR-CQSZACIVSA-N 0 3 280.437 3.199 50 0 CGAAHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000242047944 376780260 /nfs/dbraw/zinc/78/02/60/376780260.db2.gz VRLICOZVESFNON-OWCLPIDISA-N 0 3 292.467 3.215 50 0 CGAAHN O=C(c1ccccn1)[C@@H]1CCCN(CCCc2ccco2)C1 ZINC000244724684 376795975 /nfs/dbraw/zinc/79/59/75/376795975.db2.gz MYODXEKYWBRGQD-OAHLLOKOSA-N 0 3 298.386 3.202 50 0 CGAAHN Cc1nn(C)cc1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000252493397 377632880 /nfs/dbraw/zinc/63/28/80/377632880.db2.gz NBIWATMHAMNBDH-GOSISDBHSA-N 0 3 298.434 3.111 50 0 CGAAHN COCC[C@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000253416094 377690822 /nfs/dbraw/zinc/69/08/22/377690822.db2.gz YJDRNERRBSNJDE-NHYWBVRUSA-N 0 3 293.798 3.492 50 0 CGAAHN CC[C@H](N)C(=O)N(Cc1ccsc1)c1ccccc1 ZINC000253428719 377693946 /nfs/dbraw/zinc/69/39/46/377693946.db2.gz BCXOUGTWTUJAAM-AWEZNQCLSA-N 0 3 274.389 3.019 50 0 CGAAHN CC[C@H](c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096414846 392251380 /nfs/dbraw/zinc/25/13/80/392251380.db2.gz LXXMJTLZPILGHJ-MRXNPFEDSA-N 0 3 288.370 3.205 50 0 CGAAHN CCc1c(C)nc2ccccc2c1N1CCC(O)CC1 ZINC000096496045 392255971 /nfs/dbraw/zinc/25/59/71/392255971.db2.gz GYWNKWFFKDAREM-UHFFFAOYSA-N 0 3 270.376 3.067 50 0 CGAAHN CN(CCC1CCOCC1)Cc1ccc(Cl)o1 ZINC000215424379 392987428 /nfs/dbraw/zinc/98/74/28/392987428.db2.gz WJAJKAJYZPRFGB-UHFFFAOYSA-N 0 3 257.761 3.182 50 0 CGAAHN O[C@H]1CCCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000670448676 543155188 /nfs/dbraw/zinc/15/51/88/543155188.db2.gz ZVHXEJMWROWQBE-NSHDSACASA-N 0 3 291.288 3.191 50 0 CGAAHN CCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000004749957 170011350 /nfs/dbraw/zinc/01/13/50/170011350.db2.gz JIRTTYMRXHJBOX-UHFFFAOYSA-N 0 3 288.435 3.348 50 0 CGAAHN CCOc1cc(CNCC(C)C)c(Cl)cc1OC ZINC000004840486 170027729 /nfs/dbraw/zinc/02/77/29/170027729.db2.gz KUCCWNGZSHZPFJ-UHFFFAOYSA-N 0 3 271.788 3.493 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccccc1Br ZINC000006639094 170221195 /nfs/dbraw/zinc/22/11/95/170221195.db2.gz IOUFZQNYNKSRPC-UHFFFAOYSA-N 0 3 299.212 3.166 50 0 CGAAHN CN(C)Cc1ccccc1CNc1ncnc2ccsc21 ZINC000009415870 170376080 /nfs/dbraw/zinc/37/60/80/170376080.db2.gz OLACVDQHHNGENA-UHFFFAOYSA-N 0 3 298.415 3.365 50 0 CGAAHN CC1CCN(Cc2ccc3nc(N)sc3c2)CC1 ZINC000011850582 170447840 /nfs/dbraw/zinc/44/78/40/170447840.db2.gz BQVWQEQSRPRXJR-UHFFFAOYSA-N 0 3 261.394 3.110 50 0 CGAAHN C[C@H](NCc1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000020419056 171183731 /nfs/dbraw/zinc/18/37/31/171183731.db2.gz CEIMNJLAYFXAQO-LRDDRELGSA-N 0 3 259.324 3.037 50 0 CGAAHN CCOCCN[C@@H](C)c1ccc(Br)cc1 ZINC000035151217 172014413 /nfs/dbraw/zinc/01/44/13/172014413.db2.gz UJFXSUZYBBBRDS-JTQLQIEISA-N 0 3 272.186 3.136 50 0 CGAAHN C[C@H]1CCCCN1CCNC(=O)Nc1cccc(Cl)c1 ZINC000040145627 174195106 /nfs/dbraw/zinc/19/51/06/174195106.db2.gz XNRCLJYBYJIUID-LBPRGKRZSA-N 0 3 295.814 3.336 50 0 CGAAHN CN(CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000040477307 174282829 /nfs/dbraw/zinc/28/28/29/174282829.db2.gz JNSZTMBALZRLNI-UHFFFAOYSA-N 0 3 266.772 3.153 50 0 CGAAHN CSc1ccccc1C(=O)NCCN1CCCC[C@H]1C ZINC000046858495 175399676 /nfs/dbraw/zinc/39/96/76/175399676.db2.gz BLEHRYUIIPXAJS-CYBMUJFWSA-N 0 3 292.448 3.013 50 0 CGAAHN CCN1CCCC[C@@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071765328 176262076 /nfs/dbraw/zinc/26/20/76/176262076.db2.gz ZNYABKCLIVVSEB-OAHLLOKOSA-N 0 3 288.439 3.339 50 0 CGAAHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000071915666 176299599 /nfs/dbraw/zinc/29/95/99/176299599.db2.gz OSBJGWCSQFXKRI-HOTGVXAUSA-N 0 3 288.370 3.205 50 0 CGAAHN CCC[C@](C)(CO)NCc1csc(Br)c1 ZINC000072289928 176361203 /nfs/dbraw/zinc/36/12/03/176361203.db2.gz VBDZKTKSRMTPOV-LLVKDONJSA-N 0 3 292.242 3.151 50 0 CGAAHN Clc1ccc(CCCN2CCN(C3CC3)CC2)cc1 ZINC000077271800 177247427 /nfs/dbraw/zinc/24/74/27/177247427.db2.gz LVFFIGUIODNJRW-UHFFFAOYSA-N 0 3 278.827 3.053 50 0 CGAAHN COCCC[C@@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC000077287740 177249528 /nfs/dbraw/zinc/24/95/28/177249528.db2.gz BUWWRHBVGTWKSK-AWEZNQCLSA-N 0 3 295.398 3.473 50 0 CGAAHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccccc2)C1 ZINC000077303820 177250764 /nfs/dbraw/zinc/25/07/64/177250764.db2.gz FMVJXBOFGPOWEK-QGZVFWFLSA-N 0 3 281.403 3.040 50 0 CGAAHN CCCn1ncc(CN2CCCC[C@H]2CCCOC)c1C ZINC000077564079 177281115 /nfs/dbraw/zinc/28/11/15/177281115.db2.gz NRDOTYMERRYNNO-KRWDZBQOSA-N 0 3 293.455 3.383 50 0 CGAAHN COc1cccc(-c2n[nH]cc2CNCc2ccccc2)c1 ZINC000048681409 416457687 /nfs/dbraw/zinc/45/76/87/416457687.db2.gz BQLFFKIDUXHNIT-UHFFFAOYSA-N 0 3 293.370 3.375 50 0 CGAAHN C[C@H]1CCCN(C(=O)c2ccc(CN3CCCC3)cc2)C1 ZINC000013669933 260074933 /nfs/dbraw/zinc/07/49/33/260074933.db2.gz APPLKGQVARMUQH-HNNXBMFYSA-N 0 3 286.419 3.155 50 0 CGAAHN C[C@H]1CC[C@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000757181 274570000 /nfs/dbraw/zinc/57/00/00/274570000.db2.gz MVZYFQAJTIFKAW-KBPBESRZSA-N 0 3 262.372 3.136 50 0 CGAAHN CC1CCN([C@@H](CN)c2ccc(Cl)cc2)CC1 ZINC000038638676 276199188 /nfs/dbraw/zinc/19/91/88/276199188.db2.gz PGPDBGFJPZHVTI-AWEZNQCLSA-N 0 3 252.789 3.072 50 0 CGAAHN CC(C)(C)c1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000000246408 277268188 /nfs/dbraw/zinc/26/81/88/277268188.db2.gz ZFVBVEADHVLSRL-MRXNPFEDSA-N 0 3 291.435 3.210 50 0 CGAAHN CC(C)(C)OC(=O)N1CCC[C@@H](N)c2ccccc21 ZINC000004240563 278389960 /nfs/dbraw/zinc/38/99/60/278389960.db2.gz ZSFIRJQRHJSLSZ-GFCCVEGCSA-N 0 3 262.353 3.222 50 0 CGAAHN C[C@@H](O)CC(C)(C)CN[C@@H]1CCCc2occc21 ZINC000170088917 278391069 /nfs/dbraw/zinc/39/10/69/278391069.db2.gz HISUJKSCOSGBHZ-DGCLKSJQSA-N 0 3 251.370 3.044 50 0 CGAAHN Cc1c(-c2ccc(CN(C)C)cc2)c(C(F)(F)F)nn1C ZINC000096153567 280195322 /nfs/dbraw/zinc/19/53/22/280195322.db2.gz JNEBEDJGVPHKGE-UHFFFAOYSA-N 0 3 297.324 3.476 50 0 CGAAHN NC[C@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038526549 295264672 /nfs/dbraw/zinc/26/46/72/295264672.db2.gz CJSVPNMXGOFFPB-CQSZACIVSA-N 0 3 252.789 3.216 50 0 CGAAHN Cc1cc(OC[C@H](O)CN2CCCCC2)ccc1C(C)C ZINC000005023392 301377849 /nfs/dbraw/zinc/37/78/49/301377849.db2.gz XFSZKPZVUSMQQK-MRXNPFEDSA-N 0 3 291.435 3.344 50 0 CGAAHN Fc1cc(Br)cc(OCCN2CCCC2)c1 ZINC000157267270 526294028 /nfs/dbraw/zinc/29/40/28/526294028.db2.gz RAHHOOGRJUJYAI-UHFFFAOYSA-N 0 3 288.160 3.063 50 0 CGAAHN Fc1ccc(-c2n[nH]c3c2CN(CC2CC2)CC3)cc1F ZINC000015065263 640972770 /nfs/dbraw/zinc/97/27/70/640972770.db2.gz HGPKZRMJIMASTJ-UHFFFAOYSA-N 0 3 289.329 3.123 50 0 CGAAHN Cc1cccc(NC(=O)CN(C)C2CCCCC2)c1 ZINC000007786526 230370075 /nfs/dbraw/zinc/37/00/75/230370075.db2.gz ZEWQAWSSWPXDFB-UHFFFAOYSA-N 0 3 260.381 3.198 50 0 CGAAHN c1c2ccccc2oc1[C@@H](N[C@H]1CCOC1)C1CC1 ZINC000097016923 230386337 /nfs/dbraw/zinc/38/63/37/230386337.db2.gz DGGZQAJMRKZKSN-BBRMVZONSA-N 0 3 257.333 3.262 50 0 CGAAHN C[C@H](C(=O)N1CCCCCCC1)[C@H](N)c1ccccc1 ZINC000130109616 230394819 /nfs/dbraw/zinc/39/48/19/230394819.db2.gz MWUHAGJCIKJPKH-HOCLYGCPSA-N 0 3 274.408 3.115 50 0 CGAAHN C[C@@H](NCCn1ccnc1)c1ccc(-c2cccnc2)cc1 ZINC000095985866 185056074 /nfs/dbraw/zinc/05/60/74/185056074.db2.gz MPZDCPFQIFFWDX-OAHLLOKOSA-N 0 3 292.386 3.296 50 0 CGAAHN CCc1ccc([C@@H](C)NC[C@H](O)c2cccc(OC)c2)o1 ZINC000097016884 529706680 /nfs/dbraw/zinc/70/66/80/529706680.db2.gz TUZHPILDFNZIBB-WBMJQRKESA-N 0 3 289.375 3.235 50 0 CGAAHN CN(C)c1ccccc1-c1ccc(CN2CCCC2)cn1 ZINC000097805611 529793841 /nfs/dbraw/zinc/79/38/41/529793841.db2.gz SCRCYZUCTQEULT-UHFFFAOYSA-N 0 3 281.403 3.410 50 0 CGAAHN CCN(CC)CCOC(=O)Nc1c(C)cccc1C ZINC000019893281 344890721 /nfs/dbraw/zinc/89/07/21/344890721.db2.gz BMBWEBQERXLTJZ-UHFFFAOYSA-N 0 3 264.369 3.194 50 0 CGAAHN Cc1cc(NCCN(C)C)nc2cc(Cl)ccc12 ZINC000023634164 344898346 /nfs/dbraw/zinc/89/83/46/344898346.db2.gz QQMOLGQBUAOXHS-UHFFFAOYSA-N 0 3 263.772 3.170 50 0 CGAAHN C(=C/c1ccccc1)\CNCc1ccc(-n2cccn2)nc1 ZINC000071924529 345405792 /nfs/dbraw/zinc/40/57/92/345405792.db2.gz RQVZDBSOCGRLHL-XBXARRHUSA-N 0 3 290.370 3.070 50 0 CGAAHN O=c1cc(C[NH+]2CCCCCCC2)nc(-c2ccccc2)[n-]1 ZINC000075874137 345526020 /nfs/dbraw/zinc/52/60/20/345526020.db2.gz UJUICHIELWJPDC-UHFFFAOYSA-N 0 3 297.402 3.203 50 0 CGAAHN CCOC(=O)[C@]1(c2ccccc2)CCC=C(C)[C@H]1N(C)C ZINC000096028033 345901793 /nfs/dbraw/zinc/90/17/93/345901793.db2.gz ACMGZYOBXCPVDH-AEFFLSMTSA-N 0 3 287.403 3.158 50 0 CGAAHN COc1ncccc1N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000170591993 346193973 /nfs/dbraw/zinc/19/39/73/346193973.db2.gz QOQVHAKZOIODLQ-ZBFHGGJFSA-N 0 3 297.402 3.338 50 0 CGAAHN O=C(NC[C@H](c1ccccc1)N1CCCCC1)C1CC=CC1 ZINC000584896217 346722747 /nfs/dbraw/zinc/72/27/47/346722747.db2.gz LQSYGSAODYTTIF-GOSISDBHSA-N 0 3 298.430 3.296 50 0 CGAAHN c1ccc(-c2noc([C@@H]3CCCN3C3CCCC3)n2)nc1 ZINC000275705902 193109720 /nfs/dbraw/zinc/10/97/20/193109720.db2.gz QYDLSGVMLWLGHY-AWEZNQCLSA-N 0 3 284.363 3.211 50 0 CGAAHN Cc1ccccc1CN1c2ccccc2N2CCN=C12 ZINC000000447908 368368954 /nfs/dbraw/zinc/36/89/54/368368954.db2.gz OEORBNXVHHAFKX-UHFFFAOYSA-N 0 3 263.344 3.191 50 0 CGAAHN CN1CCCC[C@H]1c1ccc(-c2cccnc2)nc1 ZINC000000518486 368382744 /nfs/dbraw/zinc/38/27/44/368382744.db2.gz TZRDBHMKTWECOV-INIZCTEOSA-N 0 3 253.349 3.300 50 0 biogenic,in-vitro CGAAHN Cc1cc(OCCOCCN(C)C)cc(C(C)C)c1 ZINC000002821937 368479797 /nfs/dbraw/zinc/47/97/97/368479797.db2.gz XPDDVJYDFYJVEX-UHFFFAOYSA-N 0 3 265.397 3.075 50 0 CGAAHN CCOCCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000004245205 368538444 /nfs/dbraw/zinc/53/84/44/368538444.db2.gz YCLFMLZCRNBUQY-KRWDZBQOSA-N 0 3 270.376 3.187 50 0 CGAAHN Cc1ccc(NC(=O)NC[C@H](C)N2CCCC2)cc1Cl ZINC000012223541 368606653 /nfs/dbraw/zinc/60/66/53/368606653.db2.gz NTUZGTSAVUAGHU-LBPRGKRZSA-N 0 3 295.814 3.254 50 0 CGAAHN Cc1cc(-n2c(C)cc(CNCc3cccnc3)c2C)no1 ZINC000012542210 368618302 /nfs/dbraw/zinc/61/83/02/368618302.db2.gz FPGOZGUUHXLBEE-UHFFFAOYSA-N 0 3 296.374 3.075 50 0 CGAAHN Cc1ccc(NC(=O)CNCC2CCCCC2)cc1C ZINC000013323171 368649630 /nfs/dbraw/zinc/64/96/30/368649630.db2.gz OIYJRBNGMMRFQG-UHFFFAOYSA-N 0 3 274.408 3.412 50 0 CGAAHN CCCCNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000016606218 368717519 /nfs/dbraw/zinc/71/75/19/368717519.db2.gz DVGYPNKPWODRAD-UHFFFAOYSA-N 0 3 288.435 3.123 50 0 CGAAHN C/C=C(\C)CN1CCC(=O)N(CC2CCCCC2)CC1 ZINC000014887112 368685357 /nfs/dbraw/zinc/68/53/57/368685357.db2.gz OLXLPLUAEXZEDQ-CRKCGEKBSA-N 0 3 278.440 3.067 50 0 CGAAHN Clc1ccccc1CN1CCN(C2CCCC2)CC1 ZINC000019788709 368765595 /nfs/dbraw/zinc/76/55/95/368765595.db2.gz XNPQSOOPOAYUJZ-UHFFFAOYSA-N 0 3 278.827 3.400 50 0 CGAAHN CC[C@@H](C)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019359201 368749982 /nfs/dbraw/zinc/74/99/82/368749982.db2.gz WHJLBEVOVNXEKK-CQSZACIVSA-N 0 3 271.408 3.084 50 0 CGAAHN Cc1ccc(C)c(CN(C)C[C@@H](O)c2ccccc2)c1 ZINC000023279884 368819012 /nfs/dbraw/zinc/81/90/12/368819012.db2.gz OIVQWFBXVFYLNU-GOSISDBHSA-N 0 3 269.388 3.469 50 0 CGAAHN CCC(=O)Nc1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000030640844 368904371 /nfs/dbraw/zinc/90/43/71/368904371.db2.gz NIQFYLJPIJCWAQ-CYBMUJFWSA-N 0 3 283.375 3.281 50 0 CGAAHN Cc1ccc(CC(=O)Nc2ccccc2CN(C)C)cc1 ZINC000031232408 368912608 /nfs/dbraw/zinc/91/26/08/368912608.db2.gz KJSGNOJODQRXBC-UHFFFAOYSA-N 0 3 282.387 3.238 50 0 CGAAHN CN(C)/C=C/c1ccnc(-c2cc(/C=C\N(C)C)ccn2)c1 ZINC000033363381 368963891 /nfs/dbraw/zinc/96/38/91/368963891.db2.gz PMOOYDXWOVKBRY-NTLHZVPKSA-N 0 3 294.402 3.208 50 0 CGAAHN Fc1ccc(NC2CCN(c3ccncc3)CC2)cc1 ZINC000036961201 369043064 /nfs/dbraw/zinc/04/30/64/369043064.db2.gz PBAAYQSQMNQBJW-UHFFFAOYSA-N 0 3 271.339 3.302 50 0 CGAAHN CN(Cc1ccc(OC(F)F)cc1)C[C@H]1CCCCO1 ZINC000042977612 369239099 /nfs/dbraw/zinc/23/90/99/369239099.db2.gz FEMIPMHMOIFTSM-CQSZACIVSA-N 0 3 285.334 3.289 50 0 CGAAHN c1[nH]c2ccccc2c1CN1CCN(c2ccccc2)CC1 ZINC000053151307 369479511 /nfs/dbraw/zinc/47/95/11/369479511.db2.gz FDOZNCJWYJMHAG-UHFFFAOYSA-N 0 3 291.398 3.490 50 0 in-vivo CGAAHN COc1cccc(N2CCN(Cc3ccccc3C)CC2)c1 ZINC000055291849 369514896 /nfs/dbraw/zinc/51/48/96/369514896.db2.gz IFAPVUYOZLSUDX-UHFFFAOYSA-N 0 3 296.414 3.326 50 0 CGAAHN CCc1ccc(CN(C)[C@@H](C)Cc2cc(C)ccn2)nc1 ZINC000055327876 369515403 /nfs/dbraw/zinc/51/54/03/369515403.db2.gz MYJKQWDNGHPNFJ-HNNXBMFYSA-N 0 3 283.419 3.410 50 0 CGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CC=CCC1 ZINC000057561344 369540256 /nfs/dbraw/zinc/54/02/56/369540256.db2.gz NDFHINISJQLEGO-QGZVFWFLSA-N 0 3 298.430 3.124 50 0 CGAAHN CC[C@@H]1CN(C/C(C)=C/c2ccco2)CCN1C(C)C ZINC000065467199 369677904 /nfs/dbraw/zinc/67/79/04/369677904.db2.gz CLDGWVZNMUUTOI-RBFDBLARSA-N 0 3 276.424 3.488 50 0 CGAAHN COc1cccc(C[C@@H](C)NCc2csc(C)n2)c1 ZINC000065505013 369680584 /nfs/dbraw/zinc/68/05/84/369680584.db2.gz KWYBFVGSFGVREK-LLVKDONJSA-N 0 3 276.405 3.181 50 0 CGAAHN CCNC(=O)c1ccc(CNCc2cc(C)cc(C)c2)cc1 ZINC000065891211 369686537 /nfs/dbraw/zinc/68/65/37/369686537.db2.gz KWRBLTFQUZWKPU-UHFFFAOYSA-N 0 3 296.414 3.343 50 0 CGAAHN Fc1cccc([C@H]2CCN(Cc3cccnc3)C2)c1 ZINC000069812349 369771902 /nfs/dbraw/zinc/77/19/02/369771902.db2.gz JJMAYSMGRGVODX-HNNXBMFYSA-N 0 3 256.324 3.210 50 0 CGAAHN C[C@H](Cn1cccn1)NCc1csc2c1CCCC2 ZINC000067974941 369738854 /nfs/dbraw/zinc/73/88/54/369738854.db2.gz BUKGJYZJUZJKAM-GFCCVEGCSA-N 0 3 275.421 3.002 50 0 CGAAHN C[C@@H](NC[C@H]1CNc2ccnn2C1)c1cc2ccccc2o1 ZINC000069460274 369760573 /nfs/dbraw/zinc/76/05/73/369760573.db2.gz NVWCMVPHPUKQHQ-OLZOCXBDSA-N 0 3 296.374 3.022 50 0 CGAAHN COc1ccc(OC)c([C@@H]2CCN(c3ccncc3)C2)c1 ZINC000077386026 369946443 /nfs/dbraw/zinc/94/64/43/369946443.db2.gz KQYYOIMPCUIDRZ-CYBMUJFWSA-N 0 3 284.359 3.093 50 0 CGAAHN OCCCN(Cc1ccncc1)[C@H]1CCCc2ccccc21 ZINC000084581913 370013161 /nfs/dbraw/zinc/01/31/61/370013161.db2.gz RNUDAJSADKQWKO-IBGZPJMESA-N 0 3 296.414 3.344 50 0 CGAAHN c1ccc(CNC[C@@H]2C[C@]23CCc2ccccc23)nc1 ZINC000088744986 370036928 /nfs/dbraw/zinc/03/69/28/370036928.db2.gz CQQYCQBRLCUAIR-MAUKXSAKSA-N 0 3 264.372 3.075 50 0 CGAAHN OCC[C@@H](NCc1ccncc1Cl)C1CCCCC1 ZINC000097376807 370240641 /nfs/dbraw/zinc/24/06/41/370240641.db2.gz KMJJNTIUABGHCZ-OAHLLOKOSA-N 0 3 282.815 3.156 50 0 CGAAHN Cc1nccn1CCN(C)Cc1ccc2cc(O)ccc2c1 ZINC000097514174 370245772 /nfs/dbraw/zinc/24/57/72/370245772.db2.gz YNHVFCYARYXAJT-UHFFFAOYSA-N 0 3 295.386 3.182 50 0 CGAAHN COC[C@H]1CCCCN1Cc1cccc(SC)c1 ZINC000097773088 370254923 /nfs/dbraw/zinc/25/49/23/370254923.db2.gz IYDSJWNQFMGDLE-CQSZACIVSA-N 0 3 265.422 3.409 50 0 CGAAHN CN(Cc1cnc2ccccc2n1)C[C@@H]1CCOC(C)(C)C1 ZINC000097713664 370251965 /nfs/dbraw/zinc/25/19/65/370251965.db2.gz FLWYDDKBZNBSTR-CQSZACIVSA-N 0 3 299.418 3.267 50 0 CGAAHN COCc1ccc(CNC/C=C\c2ccco2)cc1 ZINC000098059541 370261429 /nfs/dbraw/zinc/26/14/29/370261429.db2.gz NXKHNRWFVDXMER-RQOWECAXSA-N 0 3 257.333 3.229 50 0 CGAAHN CC[C@H](c1cccc(OC)c1)N(C)Cc1[nH]ncc1C ZINC000290992822 372090179 /nfs/dbraw/zinc/09/01/79/372090179.db2.gz ABTRSHCLWCOARR-MRXNPFEDSA-N 0 3 273.380 3.310 50 0 CGAAHN CN(Cc1cc(Cl)nc(Cl)c1)CC1(O)CCCC1 ZINC000083862038 541930632 /nfs/dbraw/zinc/93/06/32/541930632.db2.gz ZHIJTIOHMFPJAZ-UHFFFAOYSA-N 0 3 289.206 3.125 50 0 CGAAHN Cc1ccncc1CN(C)CCCCC1CCOCC1 ZINC000252484757 189975930 /nfs/dbraw/zinc/97/59/30/189975930.db2.gz GGUAHGOPIRORTF-UHFFFAOYSA-N 0 3 276.424 3.419 50 0 CGAAHN Cc1ccc(CCNCc2ccc(Br)o2)cn1 ZINC000190996552 375560987 /nfs/dbraw/zinc/56/09/87/375560987.db2.gz ZKEZCYZIAFOLMX-UHFFFAOYSA-N 0 3 295.180 3.078 50 0 CGAAHN COc1cccc([C@H]2CCN2CC2(C)CCOCC2)c1 ZINC000215655266 376150977 /nfs/dbraw/zinc/15/09/77/376150977.db2.gz ONRRNWIBNICINZ-MRXNPFEDSA-N 0 3 275.392 3.259 50 0 CGAAHN CO[C@H]1CCCN(Cc2ccccc2SC)C1 ZINC000215820387 376153007 /nfs/dbraw/zinc/15/30/07/376153007.db2.gz LYYLTMKMZINSFQ-ZDUSSCGKSA-N 0 3 251.395 3.019 50 0 CGAAHN CCN(Cc1csc(C(C)=O)c1)CC1CCOCC1 ZINC000216018866 376156696 /nfs/dbraw/zinc/15/66/96/376156696.db2.gz QCTFRZJCSQJESR-UHFFFAOYSA-N 0 3 281.421 3.199 50 0 CGAAHN COc1ccc(/C=C(\C)CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000221721969 376219388 /nfs/dbraw/zinc/21/93/88/376219388.db2.gz IAICAUNHVKJFBH-SSUFTNFISA-N 0 3 285.391 3.183 50 0 CGAAHN CN(CCCn1ccnc1)Cc1cccc2c1OC(C)(C)C2 ZINC000225678922 376321638 /nfs/dbraw/zinc/32/16/38/376321638.db2.gz KTCWDCIXYNALET-UHFFFAOYSA-N 0 3 299.418 3.119 50 0 CGAAHN O=c1oc2ccccc2n1CN1CCC[C@H]2CCCC[C@H]21 ZINC000230111301 376486182 /nfs/dbraw/zinc/48/61/82/376486182.db2.gz CKVQWMDUDKOPKL-ZIAGYGMSSA-N 0 3 286.375 3.207 50 0 CGAAHN Cc1nc(CCN(C)[C@H](C)Cc2cc(C)ccn2)cs1 ZINC000243914709 376789891 /nfs/dbraw/zinc/78/98/91/376789891.db2.gz BJUSJYQEVWFHPN-CYBMUJFWSA-N 0 3 289.448 3.260 50 0 CGAAHN C[C@H]1CCN(CCCn2ccnc2)[C@@H](c2ccco2)C1 ZINC000245882292 376925429 /nfs/dbraw/zinc/92/54/29/376925429.db2.gz NUNDUXKGDUPTGV-LSDHHAIUSA-N 0 3 273.380 3.339 50 0 CGAAHN Cc1ncccc1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000348803241 379059383 /nfs/dbraw/zinc/05/93/83/379059383.db2.gz WGWUUZMITMARJH-LBPRGKRZSA-N 0 3 295.386 3.126 50 0 CGAAHN CC(C)OCCN1Cc2ccccc2C2(CCC2)C1 ZINC000352352527 379776499 /nfs/dbraw/zinc/77/64/99/379776499.db2.gz JVQUVHPGSQIBMO-UHFFFAOYSA-N 0 3 259.393 3.349 50 0 CGAAHN CCCc1ccc(CN2CCC(Cn3ccnc3)CC2)o1 ZINC000670450513 543155401 /nfs/dbraw/zinc/15/54/01/543155401.db2.gz CJQROHCIBAVGEU-UHFFFAOYSA-N 0 3 287.407 3.341 50 0 CGAAHN Cc1nc(C)c(CN2C[C@@H](C)S[C@H](C)C2)s1 ZINC000075893141 165105293 /nfs/dbraw/zinc/10/52/93/165105293.db2.gz NDICNBIAONANRC-RKDXNWHRSA-N 0 3 256.440 3.086 50 0 CGAAHN COc1ccc(CNCc2c[nH]c3ccccc23)cc1 ZINC000004777599 170015547 /nfs/dbraw/zinc/01/55/47/170015547.db2.gz YZBSGVFDKGPZHR-UHFFFAOYSA-N 0 3 266.344 3.466 50 0 CGAAHN COc1cc(C)ccc1OCCN1CCC[C@H](C)C1 ZINC000004906885 170039674 /nfs/dbraw/zinc/03/96/74/170039674.db2.gz DXLNDPHCUGPSFL-AWEZNQCLSA-N 0 3 263.381 3.114 50 0 CGAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccccc1Cl)NCC2 ZINC000004951408 170044831 /nfs/dbraw/zinc/04/48/31/170044831.db2.gz XONMKCZCHUOWRT-SNPRPXQTSA-N 0 3 265.784 3.296 50 0 CGAAHN CC[C@@H](C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000006728973 170234315 /nfs/dbraw/zinc/23/43/15/170234315.db2.gz DACUVBKYXDHFGO-CYBMUJFWSA-N 0 3 289.423 3.416 50 0 CGAAHN Fc1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 ZINC000006730553 170235145 /nfs/dbraw/zinc/23/51/45/170235145.db2.gz JXYZWTJKUBFSIT-AWEZNQCLSA-N 0 3 275.323 3.354 50 0 CGAAHN CCc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 ZINC000009722315 170385054 /nfs/dbraw/zinc/38/50/54/170385054.db2.gz VTDHNWXNKDPMKR-UHFFFAOYSA-N 0 3 296.414 3.241 50 0 CGAAHN CN1CCC[C@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000020390168 171178934 /nfs/dbraw/zinc/17/89/34/171178934.db2.gz QVDSOGCQKCOFOW-HNNXBMFYSA-N 0 3 279.383 3.463 50 0 CGAAHN Cc1[nH]c2ccccc2c1CCNCc1ccccn1 ZINC000022628191 171395109 /nfs/dbraw/zinc/39/51/09/171395109.db2.gz PTKBFIOKMJBNGT-UHFFFAOYSA-N 0 3 265.360 3.204 50 0 biogenic CGAAHN OC[C@@]1(NCc2cccs2)CCCc2ccccc21 ZINC000038123752 174130362 /nfs/dbraw/zinc/13/03/62/174130362.db2.gz WPUPRUAQEWEZGO-INIZCTEOSA-N 0 3 273.401 3.062 50 0 CGAAHN CN(C)C[C@@H]1CCc2c3ccccc3ccc2C1=O ZINC000001594856 273798838 /nfs/dbraw/zinc/79/88/38/273798838.db2.gz XUVNFCHKOLMOIG-ZDUSSCGKSA-N 0 3 253.345 3.147 50 0 CGAAHN CCCC[C@H](CC)[C@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000013142071 276242418 /nfs/dbraw/zinc/24/24/18/276242418.db2.gz ZPDBNCKBKRZZEB-XHSDSOJGSA-N 0 3 269.429 3.430 50 0 CGAAHN CC[C@@H](COC)N[C@@H](C)c1nc2ccccc2n1CC ZINC000090118314 276527282 /nfs/dbraw/zinc/52/72/82/276527282.db2.gz ZHNJWFJVSXPUJW-STQMWFEESA-N 0 3 275.396 3.132 50 0 CGAAHN C[C@@H](C1CC1)N(CC[S@@](=O)c1ccccc1)C1CC1 ZINC000170621625 278219027 /nfs/dbraw/zinc/21/90/27/278219027.db2.gz HAMUDUVFCGIMRM-ORAYPTAESA-N 0 3 277.433 3.057 50 0 CGAAHN Cc1cccc([C@@H](C)N2CCC(N3CCCC3=O)CC2)c1 ZINC000098015847 281251893 /nfs/dbraw/zinc/25/18/93/281251893.db2.gz IPLLGOJQRVJHGV-OAHLLOKOSA-N 0 3 286.419 3.143 50 0 CGAAHN CCSc1ccccc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000195558655 336056179 /nfs/dbraw/zinc/05/61/79/336056179.db2.gz RUAIRCCOJHJFKW-HZSPNIEDSA-N 0 3 277.433 3.386 50 0 CGAAHN Cc1nc(C[C@@H]2CCCN(CCSC(C)(C)C)C2)no1 ZINC000369223353 534411639 /nfs/dbraw/zinc/41/16/39/534411639.db2.gz FBJGNBWYWPGARQ-ZDUSSCGKSA-N 0 3 297.468 3.164 50 0 CGAAHN CC(C)CN(CCS(=O)(=O)c1ccccc1)CC(C)C ZINC000052712267 519717182 /nfs/dbraw/zinc/71/71/82/519717182.db2.gz PNBXKGUVBZLGJS-UHFFFAOYSA-N 0 3 297.464 3.074 50 0 CGAAHN Cc1ccc(-c2n[nH]cc2CNCc2ccc(F)cc2)o1 ZINC000035255515 525794104 /nfs/dbraw/zinc/79/41/04/525794104.db2.gz ACIUGZFXQDUSSS-UHFFFAOYSA-N 0 3 285.322 3.407 50 0 CGAAHN c1ncc(CNCCSc2ccccc2)s1 ZINC000054788239 526613149 /nfs/dbraw/zinc/61/31/49/526613149.db2.gz OECDAEWYXHTHPT-UHFFFAOYSA-N 0 3 250.392 3.025 50 0 CGAAHN C=CC(=O)N1CCN(Cc2ccccc2)C2(CCCCC2)C1 ZINC000863971529 629707964 /nfs/dbraw/zinc/70/79/64/629707964.db2.gz XHYGNSNDYJAYAZ-UHFFFAOYSA-N 0 3 298.430 3.220 50 0 CGAAHN CN(Cc1noc(C2CC2)n1)c1ccnc2ccccc21 ZINC001506399691 937989669 /nfs/dbraw/zinc/98/96/69/937989669.db2.gz CHBDIQJTPNIQNC-UHFFFAOYSA-N 0 3 280.331 3.132 50 0 CGAAHN Cc1nn(C)c(Cl)c1CN[C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000095991123 185058632 /nfs/dbraw/zinc/05/86/32/185058632.db2.gz VGEGFDUJGRNSOG-OLZOCXBDSA-N 0 3 299.846 3.065 50 0 CGAAHN CN1CCCC[C@H]1CNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000097657332 530053062 /nfs/dbraw/zinc/05/30/62/530053062.db2.gz OQNJYCNCCCLZIY-ZDUSSCGKSA-N 0 3 299.777 3.085 50 0 CGAAHN CC(=O)c1c(=N)sc(-c2ccccc2)nc1N1CCCC1 ZINC000075286239 345499637 /nfs/dbraw/zinc/49/96/37/345499637.db2.gz UOIRVAVEGDCDPZ-UHFFFAOYSA-N 0 3 299.399 3.092 50 0 CGAAHN CCc1nccn1[C@H]1CCCN(CCOc2ccccc2)C1 ZINC000106217015 345930162 /nfs/dbraw/zinc/93/01/62/345930162.db2.gz CQSHWPHPSTVAFI-INIZCTEOSA-N 0 3 299.418 3.161 50 0 CGAAHN CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccco2)C1 ZINC000108453297 345937450 /nfs/dbraw/zinc/93/74/50/345937450.db2.gz FIMPJCWBSXAFIG-KGLIPLIRSA-N 0 3 289.762 3.461 50 0 CGAAHN c1ncc(CN[C@@H]2CCO[C@@H](c3ccccc3)C2)s1 ZINC000157430953 346161461 /nfs/dbraw/zinc/16/14/61/346161461.db2.gz AGLDJQDUQNWWST-UKRRQHHQSA-N 0 3 274.389 3.153 50 0 CGAAHN CCCCNCc1c(F)cccc1Br ZINC000085476901 179079920 /nfs/dbraw/zinc/07/99/20/179079920.db2.gz BXNXFHVCVHRBIT-UHFFFAOYSA-N 0 3 260.150 3.478 50 0 CGAAHN Cc1ccccc1[C@@H](NC1CCOCC1)c1ccncc1 ZINC000584900389 346723590 /nfs/dbraw/zinc/72/35/90/346723590.db2.gz PNYXTONOJAIUTF-SFHVURJKSA-N 0 3 282.387 3.248 50 0 CGAAHN CC[N@@H+]1CCCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000339250503 215039967 /nfs/dbraw/zinc/03/99/67/215039967.db2.gz VCRASICBLUZEKV-ZDUSSCGKSA-N 0 3 282.815 3.010 50 0 CGAAHN CC[N@H+]1CCCC[C@H]1CNCc1cccc([O-])c1Cl ZINC000339250503 215039970 /nfs/dbraw/zinc/03/99/70/215039970.db2.gz VCRASICBLUZEKV-ZDUSSCGKSA-N 0 3 282.815 3.010 50 0 CGAAHN O=C(Nc1cccc2ccccc21)N1CCN2CCC[C@@H]2C1 ZINC000000215134 368316745 /nfs/dbraw/zinc/31/67/45/368316745.db2.gz OUODWPKDKDIYEI-OAHLLOKOSA-N 0 3 295.386 3.152 50 0 CGAAHN FC(F)(F)c1cc(N2CCNCC2)cc(C(F)(F)F)c1 ZINC000000252516 368325430 /nfs/dbraw/zinc/32/54/30/368325430.db2.gz KBJABLNQZCSKGE-UHFFFAOYSA-N 0 3 298.230 3.134 50 0 CGAAHN CCCN(Cc1ccc(OC)c(OC)c1OC)CC1CC1 ZINC000000277516 368330653 /nfs/dbraw/zinc/33/06/53/368330653.db2.gz WAAGUKFPQMNOKL-UHFFFAOYSA-N 0 3 293.407 3.334 50 0 CGAAHN Cc1sc(C(=O)[C@H](C)CN(C)C)cc1Br ZINC000000480805 368376930 /nfs/dbraw/zinc/37/69/30/368376930.db2.gz FQJYSEFVBMGNAU-SSDOTTSWSA-N 0 3 290.226 3.199 50 0 CGAAHN CCCC[C@H](CC)[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000002306514 368451499 /nfs/dbraw/zinc/45/14/99/368451499.db2.gz ZPDBNCKBKRZZEB-JYJNAYRXSA-N 0 3 269.429 3.430 50 0 CGAAHN CCOC(=O)C[C@H](N)c1ccc(OCc2ccccc2)cc1 ZINC000002553908 368463863 /nfs/dbraw/zinc/46/38/63/368463863.db2.gz CNUONIQYWHGUDA-KRWDZBQOSA-N 0 3 299.370 3.219 50 0 CGAAHN CC(=O)Nc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000003684275 368517308 /nfs/dbraw/zinc/51/73/08/368517308.db2.gz IOGLRBBARQVALG-UHFFFAOYSA-N 0 3 280.371 3.203 50 0 CGAAHN CCN(CCO)Cc1cc2cc(Cl)ccc2s1 ZINC000005715609 368564081 /nfs/dbraw/zinc/56/40/81/368564081.db2.gz QZPHGCYJCHVJLS-UHFFFAOYSA-N 0 3 269.797 3.369 50 0 CGAAHN C[C@H](CNC(=O)Nc1ccc(F)cc1)N1CCC(C)CC1 ZINC000012223557 368606449 /nfs/dbraw/zinc/60/64/49/368606449.db2.gz UFVVLPWBHWQBDM-CYBMUJFWSA-N 0 3 293.386 3.068 50 0 CGAAHN COc1ccc(C[C@@H](C)NCc2ccco2)cc1OC ZINC000012383608 368610709 /nfs/dbraw/zinc/61/07/09/368610709.db2.gz TXBKOBBGYWRGEG-GFCCVEGCSA-N 0 3 275.348 3.018 50 0 CGAAHN CN(CC(=O)NC1CCCCCC1)C1CCCCC1 ZINC000013323124 368648977 /nfs/dbraw/zinc/64/89/77/368648977.db2.gz FXTHFQUWYMEQGR-UHFFFAOYSA-N 0 3 266.429 3.090 50 0 CGAAHN COc1cccc(CNCc2cccc3[nH]ccc32)c1 ZINC000015423476 368695176 /nfs/dbraw/zinc/69/51/76/368695176.db2.gz ZJEBNFNARQFVIJ-UHFFFAOYSA-N 0 3 266.344 3.466 50 0 CGAAHN CCC[C@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000016695406 368720308 /nfs/dbraw/zinc/72/03/08/368720308.db2.gz VJOMFULPVUNHIM-INIZCTEOSA-N 0 3 286.375 3.027 50 0 CGAAHN Fc1cccc(C[C@@H]2CN(C3CCCC3)CCO2)c1 ZINC000019838083 368770007 /nfs/dbraw/zinc/77/00/07/368770007.db2.gz ZQKRHRZEBMVPNJ-MRXNPFEDSA-N 0 3 263.356 3.012 50 0 CGAAHN CCc1ccc(CN2CCN([C@H](C)CC)CC2)cc1 ZINC000019360250 368749633 /nfs/dbraw/zinc/74/96/33/368749633.db2.gz FPBUCEOKBFTNMC-OAHLLOKOSA-N 0 3 260.425 3.165 50 0 CGAAHN c1ccc([C@@H](CNCc2ccncc2)N2CCCC2)cc1 ZINC000020096472 368802199 /nfs/dbraw/zinc/80/21/99/368802199.db2.gz JOMXRYDAEPHVHN-GOSISDBHSA-N 0 3 281.403 3.008 50 0 CGAAHN Cc1ccc([C@H](CNC(=O)C(C)C)N2CCCCC2)cc1 ZINC000027663894 368874621 /nfs/dbraw/zinc/87/46/21/368874621.db2.gz WZQBFASNORRZLI-KRWDZBQOSA-N 0 3 288.435 3.294 50 0 CGAAHN O=C(CNCC1CCC1)Nc1c(Cl)cccc1Cl ZINC000036825289 369031457 /nfs/dbraw/zinc/03/14/57/369031457.db2.gz FMKWGTMBJOXECH-UHFFFAOYSA-N 0 3 287.190 3.322 50 0 CGAAHN C[C@H](Cn1ccnc1)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157024 369072206 /nfs/dbraw/zinc/07/22/06/369072206.db2.gz GBXPNBYOJDOGAV-MNOVXSKESA-N 0 3 281.762 3.415 50 0 CGAAHN C[C@@H](Cn1ccnc1)N[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000037157022 369073337 /nfs/dbraw/zinc/07/33/37/369073337.db2.gz GBXPNBYOJDOGAV-QWRGUYRKSA-N 0 3 281.762 3.415 50 0 CGAAHN Cc1n[nH]cc1CN[C@H](C)c1ccc2c(c1)CCCC2 ZINC000037071164 369058182 /nfs/dbraw/zinc/05/81/82/369058182.db2.gz WLZRMDIUIZIWRY-GFCCVEGCSA-N 0 3 269.392 3.448 50 0 CGAAHN CCN1CCC[C@@H](Nc2ccc3ccccc3n2)C1 ZINC000040503236 369159274 /nfs/dbraw/zinc/15/92/74/369159274.db2.gz VBDYYMSVIFJGDQ-CQSZACIVSA-N 0 3 255.365 3.131 50 0 CGAAHN c1cncc(-c2noc(CN3CCC[C@H]4CCCC[C@@H]43)n2)c1 ZINC000054610078 369504242 /nfs/dbraw/zinc/50/42/42/369504242.db2.gz KUIZPLFGTOOLPY-HIFRSBDPSA-N 0 3 298.390 3.286 50 0 CGAAHN CC[C@@H](CO)N(Cc1cccc(O)c1)Cc1ccccc1C ZINC000055569017 369519974 /nfs/dbraw/zinc/51/99/74/369519974.db2.gz QMOVRJUSZBRSRF-SFHVURJKSA-N 0 3 299.414 3.474 50 0 CGAAHN CC[C@H](CO)N(Cc1cccc(O)c1)Cc1ccccc1C ZINC000055569018 369520158 /nfs/dbraw/zinc/52/01/58/369520158.db2.gz QMOVRJUSZBRSRF-GOSISDBHSA-N 0 3 299.414 3.474 50 0 CGAAHN CC(=O)Nc1cccc(Oc2ccccc2CN(C)C)c1 ZINC000067473480 369717688 /nfs/dbraw/zinc/71/76/88/369717688.db2.gz HJPZTSHEJZTSAN-UHFFFAOYSA-N 0 3 284.359 3.499 50 0 CGAAHN COC[C@@H](C)C1CCN(C/C=C/c2ccco2)CC1 ZINC000065504659 369681264 /nfs/dbraw/zinc/68/12/64/369681264.db2.gz SYENBQDHXKFSOZ-LYKUJDHUSA-N 0 3 263.381 3.287 50 0 CGAAHN CC[C@@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC(C)C ZINC000069492903 369762381 /nfs/dbraw/zinc/76/23/81/369762381.db2.gz KELNXEVBSMCUPB-DLBZAZTESA-N 0 3 288.435 3.169 50 0 CGAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000069597233 369764894 /nfs/dbraw/zinc/76/48/94/369764894.db2.gz KCKYRSKPPJTFQJ-MNOVXSKESA-N 0 3 298.839 3.100 50 0 CGAAHN Cc1cnn(C[C@@H](C)N[C@H](C)c2ccc(F)cc2)c1 ZINC000069704322 369767754 /nfs/dbraw/zinc/76/77/54/369767754.db2.gz WAPCJYMQXUBYGV-CHWSQXEVSA-N 0 3 261.344 3.070 50 0 CGAAHN C[C@H]1CN2CCCC[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000083704315 370009708 /nfs/dbraw/zinc/00/97/08/370009708.db2.gz ZHRJSLVJPPCYLS-XJKSGUPXSA-N 0 3 278.827 3.399 50 0 CGAAHN Fc1cccc(Cl)c1CCNCc1ccncc1 ZINC000089768047 370046091 /nfs/dbraw/zinc/04/60/91/370046091.db2.gz YYMRMROCRYYTLD-UHFFFAOYSA-N 0 3 264.731 3.206 50 0 CGAAHN CCc1ccc([C@H](C)NCC2(SC)CCOCC2)o1 ZINC000090113215 370054134 /nfs/dbraw/zinc/05/41/34/370054134.db2.gz VRBLDOHJGFZVPP-LBPRGKRZSA-N 0 3 283.437 3.405 50 0 CGAAHN CCC(=O)N1CC[C@@H](NCc2ccc(Cl)o2)[C@@H](CC)C1 ZINC000089948968 370052504 /nfs/dbraw/zinc/05/25/04/370052504.db2.gz GZWUECIEPHICFO-WCQYABFASA-N 0 3 298.814 3.060 50 0 CGAAHN COc1ccc(-c2ccc(CN3CCCC3)cn2)c(OC)c1 ZINC000097757996 370252980 /nfs/dbraw/zinc/25/29/80/370252980.db2.gz FMUBICFFWWDNHT-UHFFFAOYSA-N 0 3 298.386 3.362 50 0 CGAAHN CC[C@@H](NC[C@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111184 370226350 /nfs/dbraw/zinc/22/63/50/370226350.db2.gz UXFBXLZJJWHSFP-CABCVRRESA-N 0 3 292.354 3.205 50 0 CGAAHN Cc1cc(CN2CCC[C@H](Cc3nccn3C)C2)c(C)o1 ZINC000097139250 370230502 /nfs/dbraw/zinc/23/05/02/370230502.db2.gz RIBSVCBJZYMIFE-OAHLLOKOSA-N 0 3 287.407 3.085 50 0 CGAAHN COc1cc(OC)c([C@@H](C)NC[C@H]2CCCO2)cc1Cl ZINC000095419236 370186812 /nfs/dbraw/zinc/18/68/12/370186812.db2.gz VYXAZWVASSJMNA-GHMZBOCLSA-N 0 3 299.798 3.187 50 0 CGAAHN CC[C@@H](NCc1ccnn1C)c1ccc(OC(F)F)cc1 ZINC000095420187 370188646 /nfs/dbraw/zinc/18/86/46/370188646.db2.gz GYVBRGQPXJTQHH-CQSZACIVSA-N 0 3 295.333 3.262 50 0 CGAAHN CC[C@@H](c1ccc(Br)cc1)N1CC[C@H](CO)C1 ZINC000095430705 370191466 /nfs/dbraw/zinc/19/14/66/370191466.db2.gz OOWRXTQXBIGFMF-FZMZJTMJSA-N 0 3 298.224 3.214 50 0 CGAAHN Fc1ccc2c(c1)OCCC[C@H]2NCCc1cccnc1 ZINC000170073238 372635114 /nfs/dbraw/zinc/63/51/14/372635114.db2.gz OPIMIIJENFRVLK-MRXNPFEDSA-N 0 3 286.350 3.267 50 0 CGAAHN Cc1nc(C)c(CNC[C@H]2COc3ccccc32)s1 ZINC000311616883 374249986 /nfs/dbraw/zinc/24/99/86/374249986.db2.gz GVYWUEPZFRZXQA-LBPRGKRZSA-N 0 3 274.389 3.026 50 0 CGAAHN COCCN1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000076994477 541912051 /nfs/dbraw/zinc/91/20/51/541912051.db2.gz QNHDKJKQBGESLR-UHFFFAOYSA-N 0 3 274.339 3.043 50 0 CGAAHN Cc1ncsc1CCN(C)Cc1ccc(Cl)o1 ZINC000215867730 376152687 /nfs/dbraw/zinc/15/26/87/376152687.db2.gz LBJKMQQJNDNTOT-UHFFFAOYSA-N 0 3 270.785 3.372 50 0 CGAAHN Clc1ccc([C@H]2CCCN(Cc3c[nH]cn3)C2)cc1 ZINC000216037975 376156581 /nfs/dbraw/zinc/15/65/81/376156581.db2.gz HMGOJZUQZHJDJB-ZDUSSCGKSA-N 0 3 275.783 3.443 50 0 CGAAHN Clc1ccc([C@H]2CCCN(Cc3cnc[nH]3)C2)cc1 ZINC000216037975 376156586 /nfs/dbraw/zinc/15/65/86/376156586.db2.gz HMGOJZUQZHJDJB-ZDUSSCGKSA-N 0 3 275.783 3.443 50 0 CGAAHN c1ccc(CCN2CCC(Oc3cccnc3)CC2)cc1 ZINC000216267143 376161857 /nfs/dbraw/zinc/16/18/57/376161857.db2.gz ZSYHLWXMPYUHRE-UHFFFAOYSA-N 0 3 282.387 3.168 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CNCC[C@H](C)O)o1 ZINC000225392887 376305901 /nfs/dbraw/zinc/30/59/01/376305901.db2.gz FZJBHGMZBLSGBI-NSHDSACASA-N 0 3 277.339 3.255 50 0 CGAAHN Cc1cccc([C@@H](C)N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000227266605 376385511 /nfs/dbraw/zinc/38/55/11/376385511.db2.gz UAZITUQQRCDWGP-NVXWUHKLSA-N 0 3 286.419 3.143 50 0 CGAAHN CC1=CCC[C@H](C)[C@@H]1CN[C@H](C)c1nnc2n1CCCC2 ZINC000230311239 376503120 /nfs/dbraw/zinc/50/31/20/376503120.db2.gz DHEFTPGBHHMEGM-RRFJBIMHSA-N 0 3 288.439 3.257 50 0 CGAAHN CCS[C@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000233850317 376605549 /nfs/dbraw/zinc/60/55/49/376605549.db2.gz UKNJYLILQHCCMR-MNOVXSKESA-N 0 3 256.440 3.215 50 0 CGAAHN CCOC1CC(CN2CCSC[C@@H]2c2ccc(C)o2)C1 ZINC000240454675 376776486 /nfs/dbraw/zinc/77/64/86/376776486.db2.gz FYAZPKSHYCINHN-YMAMQOFZSA-N 0 3 295.448 3.493 50 0 CGAAHN COc1cccc(N2CCN(CCC(C)(C)C)CC2)c1 ZINC000242167694 376781649 /nfs/dbraw/zinc/78/16/49/376781649.db2.gz WYRLLVQGCVPPOU-UHFFFAOYSA-N 0 3 276.424 3.253 50 0 CGAAHN c1coc([C@H]2CCCN2CCn2cnc3ccccc32)c1 ZINC000243892426 376789841 /nfs/dbraw/zinc/78/98/41/376789841.db2.gz AICNEMHYKRWDHF-MRXNPFEDSA-N 0 3 281.359 3.466 50 0 CGAAHN COCCn1cncc1CN1CCC[C@H]1c1ccccc1C ZINC000244626564 376793267 /nfs/dbraw/zinc/79/32/67/376793267.db2.gz FNWMGBWXBQSTMT-SFHVURJKSA-N 0 3 299.418 3.175 50 0 CGAAHN COc1cc([C@@H](C)NC[C@H](C)c2nccs2)ccn1 ZINC000252488966 377630522 /nfs/dbraw/zinc/63/05/22/377630522.db2.gz JCYQRLZKOKPNKB-WDEREUQCSA-N 0 3 277.393 3.001 50 0 CGAAHN Cc1cc(-c2noc(C34CCCN3CCC4)n2)ccc1F ZINC000253431565 377693765 /nfs/dbraw/zinc/69/37/65/377693765.db2.gz SGXHEQXMCIHFFU-UHFFFAOYSA-N 0 3 287.338 3.269 50 0 CGAAHN Cc1c[nH]c(CN(C)C2Cc3ccccc3C2)c(C)c1=O ZINC000253536283 377697344 /nfs/dbraw/zinc/69/73/44/377697344.db2.gz CPLSACIEVNZSNX-UHFFFAOYSA-N 0 3 282.387 3.003 50 0 CGAAHN COc1c(N)ccnc1-c1ccc(Cl)c(F)c1 ZINC000215955516 542285759 /nfs/dbraw/zinc/28/57/59/542285759.db2.gz YHHSYQUDEBUFIX-UHFFFAOYSA-N 0 3 252.676 3.132 50 0 CGAAHN CC(C)c1cc(CN[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)on1 ZINC000239672788 256868555 /nfs/dbraw/zinc/86/85/55/256868555.db2.gz BVHZRRVVZPWHHA-BPLDGKMQSA-N 0 3 278.396 3.091 50 0 CGAAHN CCN(CC)CCOC(=O)Nc1cc(C)cc(C)c1 ZINC000001590477 169720368 /nfs/dbraw/zinc/72/03/68/169720368.db2.gz HEJRVPIJCGMJFH-UHFFFAOYSA-N 0 3 264.369 3.194 50 0 CGAAHN Cc1ccc(C(=O)OCCN(C)Cc2ccccc2)cc1 ZINC000002813073 391915032 /nfs/dbraw/zinc/91/50/32/391915032.db2.gz JNTJJWHHRZCUHI-UHFFFAOYSA-N 0 3 283.371 3.284 50 0 CGAAHN CCCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027990384 391954974 /nfs/dbraw/zinc/95/49/74/391954974.db2.gz XKTGUMAXEJALMC-QGZVFWFLSA-N 0 3 288.435 3.438 50 0 CGAAHN Cc1n[nH]cc1CNCCOc1ccc2ccccc2c1 ZINC000097159214 392260638 /nfs/dbraw/zinc/26/06/38/392260638.db2.gz LIMFDBMIKAKKEO-UHFFFAOYSA-N 0 3 281.359 3.040 50 0 CGAAHN Cn1nccc1CN1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000670437957 543154787 /nfs/dbraw/zinc/15/47/87/543154787.db2.gz KOXGDFYCFVCHCE-AWEZNQCLSA-N 0 3 289.810 3.453 50 0 CGAAHN COc1cccc(OC)c1OCCN1C[C@H](C)C[C@H](C)C1 ZINC000004837279 170026763 /nfs/dbraw/zinc/02/67/63/170026763.db2.gz SAPQUJLBCNFTLQ-OKILXGFUSA-N 0 3 293.407 3.061 50 0 CGAAHN CCCOc1ccccc1OCCN1CCCCC1 ZINC000004842346 170028537 /nfs/dbraw/zinc/02/85/37/170028537.db2.gz JPUNGWAFBHTFDT-UHFFFAOYSA-N 0 3 263.381 3.340 50 0 CGAAHN COc1cc(NC(=O)[C@@H](N)CC(C)C)cc2ccccc21 ZINC000004899425 170037909 /nfs/dbraw/zinc/03/79/09/170037909.db2.gz MVVPAYGKZXZGRC-HNNXBMFYSA-N 0 3 286.375 3.160 50 0 in-vitro CGAAHN Cc1cccc2cc(CNCc3ccccc3)c(=O)[nH]c12 ZINC000004993221 170051248 /nfs/dbraw/zinc/05/12/48/170051248.db2.gz PGDZCWFJXXHKPZ-UHFFFAOYSA-N 0 3 278.355 3.126 50 0 CGAAHN C[C@H](c1ccccc1[C@H](O)c1ccccc1)N(C)C ZINC000005008636 170054851 /nfs/dbraw/zinc/05/48/51/170054851.db2.gz LISUDWGNQOAYJR-CXAGYDPISA-N 0 3 255.361 3.391 50 0 CGAAHN COCCNCc1ccccc1OCc1ccc(F)cc1 ZINC000006701963 170229782 /nfs/dbraw/zinc/22/97/82/170229782.db2.gz DZYDFQVWLZTERI-UHFFFAOYSA-N 0 3 289.350 3.141 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000007981747 170311515 /nfs/dbraw/zinc/31/15/15/170311515.db2.gz QQPCDBSKBFYOKJ-UHFFFAOYSA-N 0 3 298.814 3.374 50 0 CGAAHN CC(=O)Nc1cccc([C@@H](C)NCc2ccccc2)c1 ZINC000009156371 170365053 /nfs/dbraw/zinc/36/50/53/170365053.db2.gz GRSKKSLBFJIIMQ-CYBMUJFWSA-N 0 3 268.360 3.496 50 0 CGAAHN C[C@H](NCc1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000020419050 171184034 /nfs/dbraw/zinc/18/40/34/171184034.db2.gz CEIMNJLAYFXAQO-BLLLJJGKSA-N 0 3 259.324 3.037 50 0 CGAAHN COCCNCc1ccc(-c2ccccc2Cl)o1 ZINC000020876084 171277134 /nfs/dbraw/zinc/27/71/34/171277134.db2.gz VTXLMRZGQLFMMC-UHFFFAOYSA-N 0 3 265.740 3.336 50 0 CGAAHN C[C@H](Cc1ccco1)NCc1cnn(-c2ccccc2)c1 ZINC000035254730 172083870 /nfs/dbraw/zinc/08/38/70/172083870.db2.gz GVDRURLMXSTTCI-CQSZACIVSA-N 0 3 281.359 3.186 50 0 CGAAHN C[C@@H]1CCC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255498 173066286 /nfs/dbraw/zinc/06/62/86/173066286.db2.gz SEFXUGDSQDTBHK-RISCZKNCSA-N 0 3 280.799 3.447 50 0 CGAAHN CC(=O)Nc1ccc(CNCc2ccc(C)s2)cc1 ZINC000040488700 174290183 /nfs/dbraw/zinc/29/01/83/174290183.db2.gz UXUKYKNLSJXURP-UHFFFAOYSA-N 0 3 274.389 3.305 50 0 CGAAHN CSCc1ccc(CN[C@H](C)[C@@H](C)n2cc(C)cn2)o1 ZINC000069538509 175838469 /nfs/dbraw/zinc/83/84/69/175838469.db2.gz PPQJFDAZMCWTDH-CHWSQXEVSA-N 0 3 293.436 3.387 50 0 CGAAHN [O-]c1ccc(-c2cccc3c2CC[NH2+]C3)cc1-c1ccno1 ZINC000071756835 176260513 /nfs/dbraw/zinc/26/05/13/176260513.db2.gz LXUXGMUKSQAYAA-UHFFFAOYSA-N 0 3 292.338 3.360 50 0 CGAAHN CCNCc1cc(-c2ccc(Br)c(F)c2)n[nH]1 ZINC000725264774 544114099 /nfs/dbraw/zinc/11/40/99/544114099.db2.gz VPGIAHGGWQDTNI-UHFFFAOYSA-N 0 3 298.159 3.088 50 0 CGAAHN CC(C)[C@H](CN[C@@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711984 419072488 /nfs/dbraw/zinc/07/24/88/419072488.db2.gz KVFBSYQUUQQHDJ-SJORKVTESA-N 0 3 298.434 3.444 50 0 CGAAHN O=c1cc(CN2CCCCC2)c2cc3c(cc2o1)CCC3 ZINC000002115835 275043557 /nfs/dbraw/zinc/04/35/57/275043557.db2.gz NNOGOHWRRBOLTB-UHFFFAOYSA-N 0 3 283.371 3.268 50 0 biogenic CGAAHN C[C@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)c2ccsc2S1 ZINC000183578835 278498327 /nfs/dbraw/zinc/49/83/27/278498327.db2.gz SINFCWVGKJLFSX-KQXIARHKSA-N 0 3 281.446 3.200 50 0 CGAAHN CC(C)c1cc(CN[C@H](C)CN2CCCCCC2)no1 ZINC000534644113 328329600 /nfs/dbraw/zinc/32/96/00/328329600.db2.gz XFCCASYNOHHIAQ-CQSZACIVSA-N 0 3 279.428 3.152 50 0 CGAAHN COc1ccc(C)cc1[C@@H](C)NCC[S@](=O)C(C)(C)C ZINC000096477841 329526783 /nfs/dbraw/zinc/52/67/83/329526783.db2.gz ZWIFFOHVYUTKKT-ZUOKHONESA-N 0 3 297.464 3.201 50 0 CGAAHN C[C@H](NCc1ccncc1F)[C@@H](c1ccccc1)N(C)C ZINC000449251956 533937827 /nfs/dbraw/zinc/93/78/27/533937827.db2.gz SWWDTVMCMMLUSP-GUYCJALGSA-N 0 3 287.382 3.002 50 0 CGAAHN CS[C@H]1CCC[C@@H]1N(C)Cc1c(C)noc1C ZINC000096441754 534094216 /nfs/dbraw/zinc/09/42/16/534094216.db2.gz CPKVBTLGXYSVEX-STQMWFEESA-N 0 3 254.399 3.007 50 0 CGAAHN CC(C)c1cccc(OCCCCN2CCN(C)CC2)c1 ZINC000022037111 519843275 /nfs/dbraw/zinc/84/32/75/519843275.db2.gz WSTFMPPBCUTBIX-UHFFFAOYSA-N 0 3 290.451 3.216 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@@H](C)c3ccncc3)C2)n[nH]1 ZINC000084110839 567031240 /nfs/dbraw/zinc/03/12/40/567031240.db2.gz UHYRDCILNLILQG-ZFWWWQNUSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@@H](C)c3ccncc3)C2)[nH]n1 ZINC000084110839 567031246 /nfs/dbraw/zinc/03/12/46/567031246.db2.gz UHYRDCILNLILQG-ZFWWWQNUSA-N 0 3 270.380 3.054 50 0 CGAAHN C/C=C(/F)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000888095579 619259062 /nfs/dbraw/zinc/25/90/62/619259062.db2.gz OHMHAMZYZBLYRN-UUILKARUSA-N 0 3 261.300 3.129 50 0 CGAAHN CN(Cc1cc(F)cc(F)c1F)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001529185492 938071514 /nfs/dbraw/zinc/07/15/14/938071514.db2.gz NGGHSLSYZHELMK-IOQCUFBNSA-N 0 3 299.336 3.085 50 0 CGAAHN C[C@@H](CO)N[C@@H](C)c1ccc(SC(F)F)cc1 ZINC000095968675 185048046 /nfs/dbraw/zinc/04/80/46/185048046.db2.gz NCPNPNNHBYPELA-IUCAKERBSA-N 0 3 261.337 3.033 50 0 CGAAHN C[C@H](NCCn1cccn1)c1ccc(-c2cccnc2)cc1 ZINC000095985863 185056192 /nfs/dbraw/zinc/05/61/92/185056192.db2.gz RGPPHXZMVUHKEK-HNNXBMFYSA-N 0 3 292.386 3.296 50 0 CGAAHN Cc1cc(-n2ccnc2)ccc1CN1C[C@@H](C)OC(C)(C)C1 ZINC000191963211 346267108 /nfs/dbraw/zinc/26/71/08/346267108.db2.gz FESXXGANYOTDMQ-OAHLLOKOSA-N 0 3 299.418 3.180 50 0 CGAAHN CC[C@H](NC[C@@H](O)c1ccco1)c1ccccc1F ZINC000195553456 346272732 /nfs/dbraw/zinc/27/27/32/346272732.db2.gz YMMQFQIATFFQTR-UONOGXRCSA-N 0 3 263.312 3.193 50 0 CGAAHN Cc1ccc2c(cc(CN3CC[C@](C)(O)[C@H](C)C3)n2C)c1 ZINC000091877063 180279102 /nfs/dbraw/zinc/27/91/02/180279102.db2.gz QSSNMOVDRUPRNH-KDOFPFPSSA-N 0 3 286.419 3.080 50 0 CGAAHN CCOc1ccc(CN2CCC(Cn3cccn3)CC2)cc1 ZINC000155194249 188189068 /nfs/dbraw/zinc/18/90/68/188189068.db2.gz CHUVBLNNTKOYIY-UHFFFAOYSA-N 0 3 299.418 3.194 50 0 CGAAHN CCOC(=O)C1CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000000215978 368317759 /nfs/dbraw/zinc/31/77/59/368317759.db2.gz PPEZDYNHKILINQ-FYWRMAATSA-N 0 3 287.403 3.365 50 0 CGAAHN CN(CCC(=O)c1ccccc1)Cc1ccccc1 ZINC000000409398 368360040 /nfs/dbraw/zinc/36/00/40/368360040.db2.gz LNCWFHRJTAQGBG-UHFFFAOYSA-N 0 3 253.345 3.391 50 0 CGAAHN CN(C)CCOC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004774891 368558697 /nfs/dbraw/zinc/55/86/97/368558697.db2.gz RDQTZDVYXYUELL-UHFFFAOYSA-N 0 3 277.151 3.104 50 0 CGAAHN CCOc1ccc(CNC[C@H]2CCCO2)cc1Cl ZINC000010474467 368582243 /nfs/dbraw/zinc/58/22/43/368582243.db2.gz VWALHGHITFHASY-GFCCVEGCSA-N 0 3 269.772 3.007 50 0 CGAAHN COc1ccc(C2CCN(Cc3cccnc3)CC2)cc1 ZINC000012113920 368603812 /nfs/dbraw/zinc/60/38/12/368603812.db2.gz ZRRBYMNADDPIJO-UHFFFAOYSA-N 0 3 282.387 3.470 50 0 CGAAHN Cc1cccc(Cc2sc(Nc3ccccn3)nc2O)c1 ZINC000013425364 368653120 /nfs/dbraw/zinc/65/31/20/368653120.db2.gz WWUGFEQZEJQMEN-ZDUSSCGKSA-N 0 3 297.383 3.043 50 0 CGAAHN Cc1cccc(CC2SC(Nc3ccccn3)=NC2=O)c1 ZINC000013425364 368653127 /nfs/dbraw/zinc/65/31/27/368653127.db2.gz WWUGFEQZEJQMEN-ZDUSSCGKSA-N 0 3 297.383 3.043 50 0 CGAAHN COc1cccc2c1OC[C@H](NCc1ccc(C)cc1)C2 ZINC000015063739 368689988 /nfs/dbraw/zinc/68/99/88/368689988.db2.gz AWROGUBVSNSTLG-MRXNPFEDSA-N 0 3 283.371 3.097 50 0 CGAAHN Cc1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000019889602 368776105 /nfs/dbraw/zinc/77/61/05/368776105.db2.gz KZHBJRLICVDYMK-UHFFFAOYSA-N 0 3 272.436 3.445 50 0 CGAAHN CN1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000019537499 368757118 /nfs/dbraw/zinc/75/71/18/368757118.db2.gz YSOHJVUYIHLGFD-UHFFFAOYSA-N 0 3 273.207 3.131 50 0 CGAAHN CCc1ccc([C@@H](C)NCc2ccc(C(N)=O)cc2)cc1 ZINC000032850954 368948450 /nfs/dbraw/zinc/94/84/50/368948450.db2.gz OLTABCHQMDPPOP-CYBMUJFWSA-N 0 3 282.387 3.199 50 0 CGAAHN Cc1cccc(NC(=O)C2CCN(c3ccncc3)CC2)c1 ZINC000035259879 369003119 /nfs/dbraw/zinc/00/31/19/369003119.db2.gz BCOZOJBJYDEELL-UHFFFAOYSA-N 0 3 295.386 3.245 50 0 CGAAHN CC[C@H](C)N(Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097750 369008820 /nfs/dbraw/zinc/00/88/20/369008820.db2.gz SVAVLMQWJIUPBU-ZFWWWQNUSA-N 0 3 297.439 3.365 50 0 CGAAHN Clc1ccc(OC2CNC2)c(Cc2ccccc2)c1 ZINC000042770082 369231089 /nfs/dbraw/zinc/23/10/89/369231089.db2.gz MZRZFPZTJJTRMI-UHFFFAOYSA-N 0 3 273.763 3.281 50 0 CGAAHN Cc1ccsc1CN(CCN(C)C)Cc1cccnc1 ZINC000055108666 369511225 /nfs/dbraw/zinc/51/12/25/369511225.db2.gz JKIVGWVGGDLNQM-UHFFFAOYSA-N 0 3 289.448 3.015 50 0 CGAAHN Cc1ccc(NC(=O)CN(C)[C@@H](C)C2CC2)cc1Cl ZINC000058055559 369553325 /nfs/dbraw/zinc/55/33/25/369553325.db2.gz MVRWXJJCOQCGTD-NSHDSACASA-N 0 3 280.799 3.317 50 0 CGAAHN C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CCC[C@H](C)C1 ZINC000058271196 369562197 /nfs/dbraw/zinc/56/21/97/369562197.db2.gz ASQSWICOWUXMKR-STQMWFEESA-N 0 3 294.826 3.077 50 0 CGAAHN Cc1nn(C)c(N(C)C)c1CN[C@@H](c1ccccc1)C1CC1 ZINC000058379693 369566360 /nfs/dbraw/zinc/56/63/60/369566360.db2.gz YFKJYKKFXLCHRK-KRWDZBQOSA-N 0 3 298.434 3.035 50 0 CGAAHN C[C@H](Cc1cccc(F)c1)NCc1cn2ccccc2n1 ZINC000065455901 369677215 /nfs/dbraw/zinc/67/72/15/369677215.db2.gz JJZBWPMPNSVXCH-CYBMUJFWSA-N 0 3 283.350 3.194 50 0 CGAAHN Cn1cc(C2=CCN(CCSc3ccccc3)CC2)cn1 ZINC000065490616 369679323 /nfs/dbraw/zinc/67/93/23/369679323.db2.gz QMZVVFIZHJUMPN-UHFFFAOYSA-N 0 3 299.443 3.302 50 0 CGAAHN C[C@@H](NCc1c[nH]nc1-c1ccccc1)[C@H](C)n1cccn1 ZINC000069368949 369757832 /nfs/dbraw/zinc/75/78/32/369757832.db2.gz QWOVXFZVHWCOLG-KGLIPLIRSA-N 0 3 295.390 3.013 50 0 CGAAHN Cc1cnn(C[C@H](C)NCc2cc3ccccc3o2)c1 ZINC000069560294 369763299 /nfs/dbraw/zinc/76/32/99/369763299.db2.gz ACGQBHYESZBBFN-ZDUSSCGKSA-N 0 3 269.348 3.116 50 0 CGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 ZINC000069597237 369765386 /nfs/dbraw/zinc/76/53/86/369765386.db2.gz KCKYRSKPPJTFQJ-QWRGUYRKSA-N 0 3 298.839 3.100 50 0 CGAAHN CN(C)Cc1ccccc1Cn1ccnc1-c1ccncc1 ZINC000072463037 369820774 /nfs/dbraw/zinc/82/07/74/369820774.db2.gz RSURCTVRCTVLRJ-UHFFFAOYSA-N 0 3 292.386 3.055 50 0 CGAAHN Cn1cc(CN2CCCC[C@H]2CCc2ccccc2)cn1 ZINC000072440047 369821411 /nfs/dbraw/zinc/82/14/11/369821411.db2.gz RVCPMJGXZVHVCD-SFHVURJKSA-N 0 3 283.419 3.407 50 0 CGAAHN O=C(CCN1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1 ZINC000069918183 369775349 /nfs/dbraw/zinc/77/53/49/369775349.db2.gz MIBODEGESIWBHX-INIZCTEOSA-N 0 3 283.375 3.180 50 0 CGAAHN CS[C@H]1CC[C@H](N(C)Cc2ccc(Cl)nc2)C1 ZINC000075921288 369922263 /nfs/dbraw/zinc/92/22/63/369922263.db2.gz ZKWKUCCKOHWCBC-RYUDHWBXSA-N 0 3 270.829 3.451 50 0 CGAAHN C[C@H]1CC[C@H](CCC(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000076082716 369928743 /nfs/dbraw/zinc/92/87/43/369928743.db2.gz UYCROCRPUFDCFX-XJKSGUPXSA-N 0 3 290.407 3.034 50 0 CGAAHN COc1ccc(OC)c([C@@H]2CCCN2CCCCCO)c1 ZINC000083925551 370010457 /nfs/dbraw/zinc/01/04/57/370010457.db2.gz RIBJKKJQUBDZQH-INIZCTEOSA-N 0 3 293.407 3.003 50 0 CGAAHN Cc1ccc(CN2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000089632310 370044484 /nfs/dbraw/zinc/04/44/84/370044484.db2.gz OXJQLJMRKNZMDA-SFHVURJKSA-N 0 3 289.419 3.155 50 0 CGAAHN C[C@@H](NCc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC000090221530 370058986 /nfs/dbraw/zinc/05/89/86/370058986.db2.gz IKFRDASQWWKOIV-ZMZPIMSZSA-N 0 3 279.430 3.336 50 0 CGAAHN Cc1cccc([C@H](O)CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521418 370061597 /nfs/dbraw/zinc/06/15/97/370061597.db2.gz RZNLSORPQKBZDN-RHSMWYFYSA-N 0 3 287.407 3.157 50 0 CGAAHN C[C@H](c1cccc(F)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000097202886 370232714 /nfs/dbraw/zinc/23/27/14/370232714.db2.gz RHGGOWAYYWFRHB-GFCCVEGCSA-N 0 3 273.355 3.489 50 0 CGAAHN Cc1cccc(CNC[C@H]2COC3(CCCCC3)O2)c1C ZINC000095989197 370202292 /nfs/dbraw/zinc/20/22/92/370202292.db2.gz NSWQEGAOMMSMHK-KRWDZBQOSA-N 0 3 289.419 3.469 50 0 CGAAHN CC[C@H](C)CN(C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000170625050 372643274 /nfs/dbraw/zinc/64/32/74/372643274.db2.gz VMEBZONBCVZZPH-XHSDSOJGSA-N 0 3 280.456 3.146 50 0 CGAAHN CC(=O)c1ccc(NC(=O)CCN2CCCC[C@H]2C)cc1 ZINC000170621840 372643542 /nfs/dbraw/zinc/64/35/42/372643542.db2.gz ZLFWIBYNFALAQH-CYBMUJFWSA-N 0 3 288.391 3.092 50 0 CGAAHN O[C@H](c1ccccn1)C1CCN(Cc2ccsc2)CC1 ZINC000065288594 541888118 /nfs/dbraw/zinc/88/81/18/541888118.db2.gz MWMUMFBVAXSEQH-INIZCTEOSA-N 0 3 288.416 3.089 50 0 CGAAHN CC(C)[C@H](C)N1Cc2cccc(NCCn3cccn3)c2C1 ZINC000179828199 373921860 /nfs/dbraw/zinc/92/18/60/373921860.db2.gz OSHUXGVGKOIMKR-HNNXBMFYSA-N 0 3 298.434 3.355 50 0 CGAAHN C[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nnc(C2CCC2)o1 ZINC000075838232 541909667 /nfs/dbraw/zinc/90/96/67/541909667.db2.gz DSMDHPVUAWZQQN-BNOWGMLFSA-N 0 3 275.396 3.490 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@@H](C)c3cccnc3)C2)n[nH]1 ZINC000076059664 541911126 /nfs/dbraw/zinc/91/11/26/541911126.db2.gz QDXQPMPUZOURIP-ZFWWWQNUSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@@H](C)c3cccnc3)C2)[nH]n1 ZINC000076059664 541911132 /nfs/dbraw/zinc/91/11/32/541911132.db2.gz QDXQPMPUZOURIP-ZFWWWQNUSA-N 0 3 270.380 3.054 50 0 CGAAHN C[C@H](COc1ccc(F)cc1)N[C@H](C)c1cccnc1 ZINC000092740242 541977784 /nfs/dbraw/zinc/97/77/84/541977784.db2.gz ZXXBCWJVCBDXTA-CHWSQXEVSA-N 0 3 274.339 3.339 50 0 CGAAHN C[C@H](C[C@@H](O)c1ccco1)N[C@@H]1CCCc2occc21 ZINC000192968102 375810668 /nfs/dbraw/zinc/81/06/68/375810668.db2.gz FDXMKCXODCSMOY-MRVWCRGKSA-N 0 3 275.348 3.352 50 0 CGAAHN c1coc([C@H]2N(CCc3ccncc3)CC23CCOCC3)c1 ZINC000521398728 375875244 /nfs/dbraw/zinc/87/52/44/375875244.db2.gz MOKTXRNPZPUEMJ-QGZVFWFLSA-N 0 3 298.386 3.071 50 0 CGAAHN COC[C@@H](NCCc1cccnc1)c1ccc(Cl)cc1 ZINC000193685156 375908681 /nfs/dbraw/zinc/90/86/81/375908681.db2.gz XZMXDZKXHHFHMV-MRXNPFEDSA-N 0 3 290.794 3.255 50 0 CGAAHN Cc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000230165572 376493026 /nfs/dbraw/zinc/49/30/26/376493026.db2.gz MFQLFQSPNIRQRK-BEFAXECRSA-N 0 3 295.430 3.000 50 0 CGAAHN COc1cccc([C@@H]2CCCCN2CCn2ccnc2C)c1 ZINC000244811555 376799979 /nfs/dbraw/zinc/79/99/79/376799979.db2.gz SGTFOBQDUYBYDL-SFHVURJKSA-N 0 3 299.418 3.427 50 0 CGAAHN COc1cc([C@H](C)NC[C@@H](C)c2nccs2)ccn1 ZINC000252488964 377630882 /nfs/dbraw/zinc/63/08/82/377630882.db2.gz JCYQRLZKOKPNKB-MNOVXSKESA-N 0 3 277.393 3.001 50 0 CGAAHN Fc1ccc(/C=C\CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000255119794 377734596 /nfs/dbraw/zinc/73/45/96/377734596.db2.gz FFCZFXVVVCFKIB-AYYPDYFKSA-N 0 3 293.407 3.045 50 0 CGAAHN COc1cccc(CN[C@](C)(CO)C2CCCCC2)c1F ZINC000192687563 542268021 /nfs/dbraw/zinc/26/80/21/542268021.db2.gz OJPGBIDFQPBCKF-QGZVFWFLSA-N 0 3 295.398 3.255 50 0 CGAAHN CN(Cc1cccs1)[C@H](CCO)c1ccccc1 ZINC000093442433 184675702 /nfs/dbraw/zinc/67/57/02/184675702.db2.gz YINOUOBCKNSQAI-OAHLLOKOSA-N 0 3 261.390 3.304 50 0 CGAAHN Oc1cccc([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688794 285392734 /nfs/dbraw/zinc/39/27/34/285392734.db2.gz PBHDVNKOSVXBHD-INIZCTEOSA-N 0 3 264.328 3.109 50 0 biogenic CGAAHN CCOC(=O)[C@@H]1CCCCN1C1CCC(CC)CC1 ZINC000023280885 391945752 /nfs/dbraw/zinc/94/57/52/391945752.db2.gz LFFDNVDWDYHKCY-NRXISQOPSA-N 0 3 267.413 3.373 50 0 CGAAHN Cc1noc(C)c1CN1CCC2(CNc3ccccc32)CC1 ZINC000216439090 392989323 /nfs/dbraw/zinc/98/93/23/392989323.db2.gz JBGJPDTVZFJYCJ-UHFFFAOYSA-N 0 3 297.402 3.251 50 0 CGAAHN OCCNCc1cccc(OCc2ccccc2Cl)c1 ZINC000002862023 169838194 /nfs/dbraw/zinc/83/81/94/169838194.db2.gz HLYKKFJNKCCMSE-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN COc1cc(CNCc2cccc(C)c2)cc(OC)c1 ZINC000004891783 170037025 /nfs/dbraw/zinc/03/70/25/170037025.db2.gz GGCZQAOJJRFSQT-UHFFFAOYSA-N 0 3 271.360 3.302 50 0 CGAAHN Cc1ccc2cc(CNCc3ccccc3)c(=O)[nH]c2c1 ZINC000004993226 170051295 /nfs/dbraw/zinc/05/12/95/170051295.db2.gz LGCZRENCSLBXAB-UHFFFAOYSA-N 0 3 278.355 3.126 50 0 CGAAHN Cc1c([O-])ccc2c(C[N@H+]3CCCC[C@H]3C)cc(=O)oc12 ZINC000006650598 170222511 /nfs/dbraw/zinc/22/25/11/170222511.db2.gz GDXXWSQYPNZOSR-LLVKDONJSA-N 0 3 287.359 3.181 50 0 CGAAHN Cc1c([O-])ccc2c(C[N@@H+]3CCCC[C@H]3C)cc(=O)oc12 ZINC000006650598 170222513 /nfs/dbraw/zinc/22/25/13/170222513.db2.gz GDXXWSQYPNZOSR-LLVKDONJSA-N 0 3 287.359 3.181 50 0 CGAAHN CC[C@H](CO)NCc1cccc(OCc2ccc(C)cc2)c1 ZINC000006743587 170238678 /nfs/dbraw/zinc/23/86/78/170238678.db2.gz FAIPALISURVKKH-GOSISDBHSA-N 0 3 299.414 3.435 50 0 CGAAHN Cc1cccc(NC(=O)[C@@H](C)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000006935352 170256742 /nfs/dbraw/zinc/25/67/42/170256742.db2.gz OVSBFFSOQWDSFO-QLFBSQMISA-N 0 3 274.408 3.300 50 0 CGAAHN Cc1cccc2c(=O)c(CN3CCCC3)c(C)[nH]c12 ZINC000008714598 170348748 /nfs/dbraw/zinc/34/87/48/170348748.db2.gz GEAXUVTVCRXYSV-UHFFFAOYSA-N 0 3 256.349 3.153 50 0 biogenic,in-vitro CGAAHN CC[C@@H](NCc1ccc(OC)nc1)c1cccs1 ZINC000020186547 171051071 /nfs/dbraw/zinc/05/10/71/171051071.db2.gz GZGBJUSMSSFPRE-GFCCVEGCSA-N 0 3 262.378 3.393 50 0 CGAAHN Cn1nccc1CN1CCCC[C@H]1CCc1cccs1 ZINC000020451356 171207367 /nfs/dbraw/zinc/20/73/67/171207367.db2.gz IYPPUPQSKVMLLG-AWEZNQCLSA-N 0 3 289.448 3.469 50 0 CGAAHN CC(C)CC[C@@H](CCN1CCN(C)CC1)c1ccco1 ZINC000020590562 171260974 /nfs/dbraw/zinc/26/09/74/171260974.db2.gz IAMAURQGMSRGRQ-INIZCTEOSA-N 0 3 278.440 3.437 50 0 CGAAHN OC1(c2ccccc2)CCN(CCCc2ccco2)CC1 ZINC000020995090 171283764 /nfs/dbraw/zinc/28/37/64/171283764.db2.gz RMSALKCONQJAGN-UHFFFAOYSA-N 0 3 285.387 3.196 50 0 CGAAHN CN(C)C[C@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000021835700 171335078 /nfs/dbraw/zinc/33/50/78/171335078.db2.gz BZWSRYOUVLZOAN-INIZCTEOSA-N 0 3 283.375 3.111 50 0 CGAAHN CCn1c(CN[C@@H](C)Cc2ccco2)nc2ccccc21 ZINC000038046812 174055609 /nfs/dbraw/zinc/05/56/09/174055609.db2.gz DTGCQHCEGUIHGC-ZDUSSCGKSA-N 0 3 283.375 3.370 50 0 CGAAHN Cc1nc(CN[C@@H]2CCc3ccccc3C2)cs1 ZINC000040418839 174257047 /nfs/dbraw/zinc/25/70/47/174257047.db2.gz URHBBIHCIGFIMQ-CQSZACIVSA-N 0 3 258.390 3.099 50 0 CGAAHN COc1cccc2cc(CNC[C@H](O)c3ccccc3)oc21 ZINC000040464603 174273776 /nfs/dbraw/zinc/27/37/76/174273776.db2.gz RWLDQKWNMOJCNA-INIZCTEOSA-N 0 3 297.354 3.265 50 0 CGAAHN CSc1ccccc1C(=O)NCCN1CCCC[C@@H]1C ZINC000046858496 175399876 /nfs/dbraw/zinc/39/98/76/175399876.db2.gz BLEHRYUIIPXAJS-ZDUSSCGKSA-N 0 3 292.448 3.013 50 0 CGAAHN C[C@H](NCc1cccc(O)c1)c1ccc2c(c1)CCO2 ZINC000071850032 176276875 /nfs/dbraw/zinc/27/68/75/176276875.db2.gz WRZDBQNHFFBHSR-LBPRGKRZSA-N 0 3 269.344 3.178 50 0 CGAAHN Cc1ccsc1CCn1ccnc1C1CCN(C)CC1 ZINC000072130718 176321725 /nfs/dbraw/zinc/32/17/25/176321725.db2.gz DUELHKYZMSNGGH-UHFFFAOYSA-N 0 3 289.448 3.305 50 0 CGAAHN Cc1nn(C)c(C)c1[C@@H](C)NC/C=C/c1ccccc1 ZINC000078553139 177353613 /nfs/dbraw/zinc/35/36/13/177353613.db2.gz CGGIHWNBIZSMDI-RUNBWSAHSA-N 0 3 269.392 3.401 50 0 CGAAHN CC1(C)CNC[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000087006496 273586234 /nfs/dbraw/zinc/58/62/34/273586234.db2.gz BPWDLTKPJDXTPN-LLVKDONJSA-N 0 3 259.271 3.145 50 0 CGAAHN CCN(CCN(C)C)Cc1ccccc1C(F)(F)F ZINC000019634868 276124066 /nfs/dbraw/zinc/12/40/66/276124066.db2.gz FSBHPOPCPZWZMH-UHFFFAOYSA-N 0 3 274.330 3.089 50 0 CGAAHN CSC1(CN2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC000335444346 278123807 /nfs/dbraw/zinc/12/38/07/278123807.db2.gz HETHBOQHUXYXJY-MRXNPFEDSA-N 0 3 275.417 3.013 50 0 CGAAHN C[C@@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CCCCC2 ZINC000170639910 278186701 /nfs/dbraw/zinc/18/67/01/278186701.db2.gz VHIYQCZCDHCSNA-INIZCTEOSA-N 0 3 292.467 3.290 50 0 CGAAHN Cc1ncnc(-c2ccc([C@H](C)N(C)C)cc2)c1C ZINC000097797432 279176544 /nfs/dbraw/zinc/17/65/44/279176544.db2.gz XPXGJLQLSXSPRB-ZDUSSCGKSA-N 0 3 255.365 3.383 50 0 CGAAHN Cc1cc(=O)c2ccccc2n1CC[C@H]1CCCCN1C ZINC000095385956 280303557 /nfs/dbraw/zinc/30/35/57/280303557.db2.gz LXCSMROIUSHJQK-OAHLLOKOSA-N 0 3 284.403 3.184 50 0 CGAAHN C[C@@H](NCCc1cccc(F)c1)c1cn2ccccc2n1 ZINC000551266873 289105932 /nfs/dbraw/zinc/10/59/32/289105932.db2.gz GYKYSABTKXWKPI-CYBMUJFWSA-N 0 3 283.350 3.367 50 0 CGAAHN Clc1ccc([C@H]2OCC[C@H]2NCc2ccncc2)cc1 ZINC000095984341 294108350 /nfs/dbraw/zinc/10/83/50/294108350.db2.gz NJXBHDMKGUZGOU-HZPDHXFCSA-N 0 3 288.778 3.355 50 0 CGAAHN Clc1cnn(C2CCN(Cc3ccsc3)CC2)c1 ZINC000195556567 336056188 /nfs/dbraw/zinc/05/61/88/336056188.db2.gz CXGHNJRHVRMBSV-UHFFFAOYSA-N 0 3 281.812 3.435 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@@H](O)c2cccs2)o1 ZINC000096486398 534087698 /nfs/dbraw/zinc/08/76/98/534087698.db2.gz XFXAXXZJSPTZPG-ZWNOBZJWSA-N 0 3 265.378 3.251 50 0 CGAAHN Cc1nc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000096493504 534393189 /nfs/dbraw/zinc/39/31/89/534393189.db2.gz SGZQGEBNKIBDOQ-YUELXQCFSA-N 0 3 292.448 3.197 50 0 CGAAHN CSc1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000019871883 526003785 /nfs/dbraw/zinc/00/37/85/526003785.db2.gz IOVUYLUZHRMPJR-MRXNPFEDSA-N 0 3 273.401 3.232 50 0 CGAAHN C[C@@H](N[C@@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982496 629721746 /nfs/dbraw/zinc/72/17/46/629721746.db2.gz PDSUKOBMJJSWLS-CJNGLKHVSA-N 0 3 284.407 3.397 50 0 CGAAHN CCSC[C@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000823421466 800466401 /nfs/dbraw/zinc/46/64/01/800466401.db2.gz ICUXBQCCNBJMGB-LBPRGKRZSA-N 0 3 275.421 3.203 50 0 CGAAHN Cc1cnc(CCN[C@@H](C)c2ccc3c(c2)OCO3)s1 ZINC000096478453 230380196 /nfs/dbraw/zinc/38/01/96/230380196.db2.gz OJCOCVAIHRFMEH-NSHDSACASA-N 0 3 290.388 3.074 50 0 CGAAHN Cc1c2cc(Cl)ccc2[nH]c1CN1CCC[C@H](O)CC1 ZINC000097742990 230386863 /nfs/dbraw/zinc/38/68/63/230386863.db2.gz BGYDTCLNZXHWQL-ZDUSSCGKSA-N 0 3 292.810 3.477 50 0 CGAAHN CCc1nc(CN[C@@H](C)CCc2cccn2C)cs1 ZINC000095961941 185044523 /nfs/dbraw/zinc/04/45/23/185044523.db2.gz BDDHZPAIMIUUMN-LBPRGKRZSA-N 0 3 277.437 3.155 50 0 CGAAHN COc1c(C)cc(CNCCNc2cccc(C)n2)cc1C ZINC000095964604 185046020 /nfs/dbraw/zinc/04/60/20/185046020.db2.gz HPUDCKUGFZGDSK-UHFFFAOYSA-N 0 3 299.418 3.217 50 0 CGAAHN C[C@@H](COc1ccc(F)cc1)N[C@@H](C)c1ccncc1 ZINC000097032665 185156167 /nfs/dbraw/zinc/15/61/67/185156167.db2.gz GPXJGQCQQHVPIO-STQMWFEESA-N 0 3 274.339 3.339 50 0 CGAAHN CN(C)C1(C)CN(C(c2ccccc2)c2ccccc2)C1 ZINC000038601724 344956493 /nfs/dbraw/zinc/95/64/93/344956493.db2.gz AFRBNSRPSRYNFW-UHFFFAOYSA-N 0 3 280.415 3.412 50 0 CGAAHN CN(Cc1ccccc1)C[C@H](O)c1ccc(F)c(F)c1 ZINC000049870794 345075843 /nfs/dbraw/zinc/07/58/43/345075843.db2.gz WKMHORNHIYSUSG-INIZCTEOSA-N 0 3 277.314 3.130 50 0 CGAAHN Cc1nc(C)n(C[C@@H]2CCCN2C/C=C/c2ccccc2)n1 ZINC000069491618 345380969 /nfs/dbraw/zinc/38/09/69/345380969.db2.gz PNJVWDDKLDQGLA-OPUMOTSWSA-N 0 3 296.418 3.073 50 0 CGAAHN Cn1cccc1CN[C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000072291866 345408888 /nfs/dbraw/zinc/40/88/88/345408888.db2.gz QTNQKHRGGYLCOO-OAHLLOKOSA-N 0 3 286.423 3.144 50 0 CGAAHN Cc1ncccc1CNC[C@@](C)(O)c1ccccc1Cl ZINC000097378280 345908726 /nfs/dbraw/zinc/90/87/26/345908726.db2.gz BBRDCUHIDQWGJX-MRXNPFEDSA-N 0 3 290.794 3.041 50 0 CGAAHN C[C@@H](NCc1ccc(Cl)s1)c1cc[nH]c(=O)c1 ZINC000339459353 215185851 /nfs/dbraw/zinc/18/58/51/215185851.db2.gz MUTHSKGRUSJCRA-MRVPVSSYSA-N 0 3 268.769 3.353 50 0 CGAAHN CC[C@]1(CO)CCCN(Cc2cc3ccccc3n2C)C1 ZINC000091586202 180199840 /nfs/dbraw/zinc/19/98/40/180199840.db2.gz QTCVEPRNLKEOJF-SFHVURJKSA-N 0 3 286.419 3.163 50 0 CGAAHN OCc1ccc(CN2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000092121190 180328011 /nfs/dbraw/zinc/32/80/11/180328011.db2.gz HLWIFZNDWRGYJH-HNNXBMFYSA-N 0 3 289.350 3.118 50 0 CGAAHN Cc1nccn1C[C@@H]1CCCN1Cc1c(F)cccc1F ZINC000180132677 189238612 /nfs/dbraw/zinc/23/86/12/189238612.db2.gz CJEPKQFJIUNRJP-ZDUSSCGKSA-N 0 3 291.345 3.134 50 0 CGAAHN CC(C)C[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057385 368279492 /nfs/dbraw/zinc/27/94/92/368279492.db2.gz JWHURRLUBVMKOT-OAHLLOKOSA-N 0 3 256.349 3.152 50 0 in-vitro CGAAHN COc1cc(NC(=O)[C@H](N)CC(C)C)cc2ccccc21 ZINC000000057388 368279824 /nfs/dbraw/zinc/27/98/24/368279824.db2.gz MVVPAYGKZXZGRC-OAHLLOKOSA-N 0 3 286.375 3.160 50 0 CGAAHN CCOC(=O)c1[nH]c(C)c(CNCc2ccccc2)c1C ZINC000000094804 368287825 /nfs/dbraw/zinc/28/78/25/368287825.db2.gz QHEQWDJMQSUZDF-UHFFFAOYSA-N 0 3 286.375 3.098 50 0 CGAAHN O=C(OCCN1CCCC1)C1(c2ccccc2)CCCC1 ZINC000000186758 368311949 /nfs/dbraw/zinc/31/19/49/368311949.db2.gz KZWNTXVNZWECJU-UHFFFAOYSA-N 0 3 287.403 3.137 50 0 CGAAHN Cc1cc(Cl)ccc1OC[C@@H](O)CN1CCC(C)CC1 ZINC000000350531 368345693 /nfs/dbraw/zinc/34/56/93/368345693.db2.gz WGGVSJLOKWPXEY-HNNXBMFYSA-N 0 3 297.826 3.120 50 0 CGAAHN O[C@@H](CN1CCc2ccccc2C1)c1c[nH]c2ccccc21 ZINC000000491351 368378968 /nfs/dbraw/zinc/37/89/68/368378968.db2.gz FWTCRBBVXRGZOA-IBGZPJMESA-N 0 3 292.382 3.260 50 0 biogenic CGAAHN C[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000572370 368388731 /nfs/dbraw/zinc/38/87/31/368388731.db2.gz AONULZXDXUOQLH-GFCCVEGCSA-N 0 3 255.317 3.266 50 0 CGAAHN NCc1c(-c2ccc(Cl)cc2)nc2ccccn21 ZINC000002510927 368457857 /nfs/dbraw/zinc/45/78/57/368457857.db2.gz LTIXIEAFWNBPHF-UHFFFAOYSA-N 0 3 257.724 3.113 50 0 CGAAHN Cc1cccc(C(=O)O[C@H](C)CN2CCCCC2)c1 ZINC000004552908 368550604 /nfs/dbraw/zinc/55/06/04/368550604.db2.gz IMINSZZAJSJCJP-CQSZACIVSA-N 0 3 261.365 3.026 50 0 CGAAHN O[C@@H](CNCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477452 368713334 /nfs/dbraw/zinc/71/33/34/368713334.db2.gz BTAHORQFAGKZDL-HNNXBMFYSA-N 0 3 261.752 3.163 50 0 CGAAHN NC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000016662887 368719673 /nfs/dbraw/zinc/71/96/73/368719673.db2.gz OHOKWLGSCCRSGE-NSHDSACASA-N 0 3 286.297 3.453 50 0 CGAAHN Nc1cc(C(F)(F)F)ccc1OCCN1CCCCC1 ZINC000014629463 368682977 /nfs/dbraw/zinc/68/29/77/368682977.db2.gz ISMXKPYXDIADDZ-UHFFFAOYSA-N 0 3 288.313 3.152 50 0 CGAAHN CN(C)CCN(Cc1ccsc1)Cc1ccccc1 ZINC000019636173 368758784 /nfs/dbraw/zinc/75/87/84/368758784.db2.gz JVEVXLFKSUHZHM-UHFFFAOYSA-N 0 3 274.433 3.312 50 0 CGAAHN COc1cc2c(cc1OC)[C@H](c1cccs1)NCC2 ZINC000019623973 368759121 /nfs/dbraw/zinc/75/91/21/368759121.db2.gz GLXRHRXCWKOJAR-OAHLLOKOSA-N 0 3 275.373 3.000 50 0 CGAAHN O=C(CCC1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019889420 368775304 /nfs/dbraw/zinc/77/53/04/368775304.db2.gz CNKZEKGPEYHHNB-UHFFFAOYSA-N 0 3 278.440 3.044 50 0 CGAAHN CCC(CC)C(=O)NC[C@H](c1ccc(C)cc1)N(C)C ZINC000036091072 369006779 /nfs/dbraw/zinc/00/67/79/369006779.db2.gz JWUVXKQCYZDGAY-MRXNPFEDSA-N 0 3 276.424 3.150 50 0 CGAAHN COc1cccc(CNCc2c[nH]nc2-c2ccc(C)o2)c1 ZINC000048040697 369335606 /nfs/dbraw/zinc/33/56/06/369335606.db2.gz UZUGYWHVEPCJBB-UHFFFAOYSA-N 0 3 297.358 3.277 50 0 CGAAHN CCCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)[C@@H](C)CC ZINC000055384949 369515800 /nfs/dbraw/zinc/51/58/00/369515800.db2.gz VSRHZVMLWJHXPP-WFASDCNBSA-N 0 3 296.842 3.452 50 0 CGAAHN CCOc1cccc(CNCC(C)C)c1OC(F)F ZINC000057901536 369550398 /nfs/dbraw/zinc/55/03/98/369550398.db2.gz SYALTNZFJJPDNO-UHFFFAOYSA-N 0 3 273.323 3.432 50 0 CGAAHN Cc1nn(C)c(N(C)C)c1CN[C@H](c1ccccc1)C1CC1 ZINC000058379695 369565993 /nfs/dbraw/zinc/56/59/93/369565993.db2.gz YFKJYKKFXLCHRK-QGZVFWFLSA-N 0 3 298.434 3.035 50 0 CGAAHN c1ccc(CN2CCC(Cc3noc(C4CC4)n3)CC2)cc1 ZINC000065372360 369669546 /nfs/dbraw/zinc/66/95/46/369669546.db2.gz RVAZIKPZYIZHPQ-UHFFFAOYSA-N 0 3 297.402 3.402 50 0 CGAAHN Cc1cc(-n2nc(C3CC3)nc2C[C@H]2C=CCC2)ccn1 ZINC000065381733 369670596 /nfs/dbraw/zinc/67/05/96/369670596.db2.gz MOIXCRLGOOJFAA-ZDUSSCGKSA-N 0 3 280.375 3.357 50 0 CGAAHN c1ccc(COC2CCN(CCc3ccncc3)CC2)cc1 ZINC000065585174 369683945 /nfs/dbraw/zinc/68/39/45/369683945.db2.gz URLWHMRNDGHASS-UHFFFAOYSA-N 0 3 296.414 3.305 50 0 CGAAHN CCc1ccc(CN2CC[C@@](C)(O)[C@@H](CC(C)C)C2)nc1 ZINC000067641376 369721801 /nfs/dbraw/zinc/72/18/01/369721801.db2.gz NVHRVDWUWYNSLI-FUHWJXTLSA-N 0 3 290.451 3.263 50 0 CGAAHN CC[C@H](c1ccccc1)[C@H]1CCCN1CC(=O)NC(C)C ZINC000069492904 369762052 /nfs/dbraw/zinc/76/20/52/369762052.db2.gz KELNXEVBSMCUPB-IAGOWNOFSA-N 0 3 288.435 3.169 50 0 CGAAHN CC[C@@H](c1ccccc1)[C@@H]1CCCN1CC(=O)NC(C)C ZINC000069492900 369762316 /nfs/dbraw/zinc/76/23/16/369762316.db2.gz KELNXEVBSMCUPB-IRXDYDNUSA-N 0 3 288.435 3.169 50 0 CGAAHN CSCc1ccc(CN[C@@H](C)[C@H](C)n2cc(C)cn2)o1 ZINC000069538511 369763459 /nfs/dbraw/zinc/76/34/59/369763459.db2.gz PPQJFDAZMCWTDH-STQMWFEESA-N 0 3 293.436 3.387 50 0 CGAAHN CC[C@@H](NC1CSCCSC1)c1cc(C)ccn1 ZINC000067675314 369724358 /nfs/dbraw/zinc/72/43/58/369724358.db2.gz IRUSSRIFNNVDCJ-CYBMUJFWSA-N 0 3 282.478 3.279 50 0 CGAAHN C[C@@H](c1ccccn1)N(C)Cc1ccc(-n2ccnc2)cc1 ZINC000067694513 369725208 /nfs/dbraw/zinc/72/52/08/369725208.db2.gz FQPNLLFYDDGFRY-HNNXBMFYSA-N 0 3 292.386 3.460 50 0 CGAAHN Nc1nc2c(s1)[C@@H](c1ccccc1-c1ccco1)NCC2 ZINC000071762950 369809118 /nfs/dbraw/zinc/80/91/18/369809118.db2.gz PHXZWYPQTLHYNW-CQSZACIVSA-N 0 3 297.383 3.220 50 0 CGAAHN Oc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000069950279 369774538 /nfs/dbraw/zinc/77/45/38/369774538.db2.gz CMTKKGNJIPWMGX-UHFFFAOYSA-N 0 3 252.317 3.163 50 0 CGAAHN Clc1cc(Br)cc(CNC2CC2)c1 ZINC000083441961 370004752 /nfs/dbraw/zinc/00/47/52/370004752.db2.gz DZFOMXHQRNRDKF-UHFFFAOYSA-N 0 3 260.562 3.355 50 0 CGAAHN c1ccc(CNC[C@H]2C[C@@]23CCc2ccccc23)nc1 ZINC000088744983 370036876 /nfs/dbraw/zinc/03/68/76/370036876.db2.gz CQQYCQBRLCUAIR-QAPCUYQASA-N 0 3 264.372 3.075 50 0 CGAAHN COc1cccc(CN2CCC[C@H]2c2ccc[nH]2)c1 ZINC000089470018 370042278 /nfs/dbraw/zinc/04/22/78/370042278.db2.gz CMFKLMWYKNOEAX-INIZCTEOSA-N 0 3 256.349 3.360 50 0 CGAAHN Cc1cccc([C@H](O)CN[C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521414 370062289 /nfs/dbraw/zinc/06/22/89/370062289.db2.gz RZNLSORPQKBZDN-WMLDXEAASA-N 0 3 287.407 3.157 50 0 CGAAHN COc1ccc2oc(CN3CCC[C@H](CCO)C3)cc2c1 ZINC000093107694 370110782 /nfs/dbraw/zinc/11/07/82/370110782.db2.gz UMRXVGVEIDWDLF-CYBMUJFWSA-N 0 3 289.375 3.036 50 0 CGAAHN CC[C@H](NC[C@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111182 370226074 /nfs/dbraw/zinc/22/60/74/370226074.db2.gz UXFBXLZJJWHSFP-GJZGRUSLSA-N 0 3 292.354 3.205 50 0 CGAAHN CC(C)c1nnc(CN[C@@H](C)[C@@H](C)c2ccccc2)n1C ZINC000097110030 370226420 /nfs/dbraw/zinc/22/64/20/370226420.db2.gz DYCOXSAEFQEPIM-KGLIPLIRSA-N 0 3 286.423 3.220 50 0 CGAAHN O[C@H]1CCCC[C@H]1NCc1cc2ccccc2nc1Cl ZINC000095450158 370196583 /nfs/dbraw/zinc/19/65/83/370196583.db2.gz GCEBZCXFKZORBW-CABCVRRESA-N 0 3 290.794 3.281 50 0 CGAAHN Cc1cccc(CNC[C@H]2COC3(CCCC3)O2)c1C ZINC000095459511 370198888 /nfs/dbraw/zinc/19/88/88/370198888.db2.gz QQJLTDRBKUNTCB-INIZCTEOSA-N 0 3 275.392 3.079 50 0 CGAAHN Cc1cc(Cl)ccc1NC(=O)CN(C)C1CCCC1 ZINC000170619325 372643092 /nfs/dbraw/zinc/64/30/92/372643092.db2.gz RXSJUBJTFRGZCF-UHFFFAOYSA-N 0 3 280.799 3.461 50 0 CGAAHN COc1cccc2c1CC[C@@H](N[C@H](C)c1ccccn1)C2 ZINC000192437641 375748955 /nfs/dbraw/zinc/74/89/55/375748955.db2.gz OXEBCWBMUFCTCG-UKRRQHHQSA-N 0 3 282.387 3.298 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccccn2)C1 ZINC000195529995 376112037 /nfs/dbraw/zinc/11/20/37/376112037.db2.gz BJEUFPWCOVJBPU-CRAIPNDOSA-N 0 3 281.403 3.007 50 0 CGAAHN COc1c(F)cccc1CN(C)CCC[C@@H]1CCCO1 ZINC000215803053 376152169 /nfs/dbraw/zinc/15/21/69/376152169.db2.gz JWBVLIUXKFSMBW-CQSZACIVSA-N 0 3 281.371 3.225 50 0 CGAAHN Cc1ccc(F)cc1CN1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000215903754 376152989 /nfs/dbraw/zinc/15/29/89/376152989.db2.gz OJAWLYACQSQNLZ-RDJZCZTQSA-N 0 3 277.383 3.261 50 0 CGAAHN CN(CCN[C@@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000225402878 376307571 /nfs/dbraw/zinc/30/75/71/376307571.db2.gz DVLSRRXJIIBOQD-GOSISDBHSA-N 0 3 296.414 3.496 50 0 CGAAHN CCN(CCO)Cc1ccc(-c2cccc(F)c2C)o1 ZINC000225532676 376313976 /nfs/dbraw/zinc/31/39/76/376313976.db2.gz GPQBAAMECRZNBC-UHFFFAOYSA-N 0 3 277.339 3.208 50 0 CGAAHN Cc1cccn2c(=O)cc(CN3CCCC[C@@H]3C(C)C)nc12 ZINC000225395912 376306073 /nfs/dbraw/zinc/30/60/73/376306073.db2.gz ORCJAYNXDBJJAY-MRXNPFEDSA-N 0 3 299.418 3.013 50 0 CGAAHN CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@@H](c2ccccc2)C1 ZINC000229720116 376470539 /nfs/dbraw/zinc/47/05/39/376470539.db2.gz UVVCEZALBQSUGV-GDBMZVCRSA-N 0 3 288.435 3.169 50 0 CGAAHN COc1ccccc1C1CCN(CCn2nccc2C)CC1 ZINC000244882650 376798633 /nfs/dbraw/zinc/79/86/33/376798633.db2.gz XVUSJSWZGLKXDM-UHFFFAOYSA-N 0 3 299.418 3.080 50 0 CGAAHN CC(=O)Nc1cccc2c1CCN(CCSC(C)C)C2 ZINC000252481739 377627143 /nfs/dbraw/zinc/62/71/43/377627143.db2.gz CRBNRURDUVEOCG-UHFFFAOYSA-N 0 3 292.448 3.145 50 0 CGAAHN CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1sccc1C ZINC000253598340 377701675 /nfs/dbraw/zinc/70/16/75/377701675.db2.gz IOPGFDMOEJNSMP-ZIAGYGMSSA-N 0 3 292.448 3.145 50 0 CGAAHN CN(Cc1ccc(OC(F)(F)F)cc1)CC1(C)COC1 ZINC000345945564 378416662 /nfs/dbraw/zinc/41/66/62/378416662.db2.gz ZOWQIZKDMSHXIQ-UHFFFAOYSA-N 0 3 289.297 3.054 50 0 CGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cccc3c2OCO3)c1 ZINC000055281160 256877443 /nfs/dbraw/zinc/87/74/43/256877443.db2.gz QVEWDHAPFWIJAC-CQSZACIVSA-N 0 3 298.386 3.182 50 0 CGAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C(C)C)[C@@H]1C ZINC000033878995 391973417 /nfs/dbraw/zinc/97/34/17/391973417.db2.gz TZKMUTIJRAEZBG-RHSMWYFYSA-N 0 3 275.392 3.338 50 0 CGAAHN C[C@H]([C@H](C)NCc1cc(-c2ccccc2)no1)n1cccn1 ZINC000069973895 392175894 /nfs/dbraw/zinc/17/58/94/392175894.db2.gz SMEWFOFGTYAMFM-UONOGXRCSA-N 0 3 296.374 3.277 50 0 CGAAHN CC[C@H](N)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000095971052 392243940 /nfs/dbraw/zinc/24/39/40/392243940.db2.gz UNWSOLHSMARCSW-ZDUSSCGKSA-N 0 3 268.316 3.262 50 0 CGAAHN COc1cccc([C@H]2C[C@@H](C)CN2Cc2cnn(C)c2)c1 ZINC000328587287 392676212 /nfs/dbraw/zinc/67/62/12/392676212.db2.gz VYHBPWSGRZIAMS-CXAGYDPISA-N 0 3 285.391 3.012 50 0 CGAAHN CCS[C@@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC000190043985 392810389 /nfs/dbraw/zinc/81/03/89/392810389.db2.gz UNSVCDYBOCCCOE-ZIAGYGMSSA-N 0 3 268.426 3.445 50 0 CGAAHN Cc1cnc(CCN[C@@H](C)c2cccc(O)c2)s1 ZINC000194901511 392945111 /nfs/dbraw/zinc/94/51/11/392945111.db2.gz HOBXVSBZQRXKMR-NSHDSACASA-N 0 3 262.378 3.050 50 0 CGAAHN CN(CCC[C@@H]1CCCO1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000215127169 392986550 /nfs/dbraw/zinc/98/65/50/392986550.db2.gz DWMYFEOOENVIKH-CYBMUJFWSA-N 0 3 289.379 3.061 50 0 CGAAHN Cc1ccc(CN(C)Cc2cc(CN(C)C)cs2)o1 ZINC000215275220 392986930 /nfs/dbraw/zinc/98/69/30/392986930.db2.gz ZKLHXCUOUURIGZ-UHFFFAOYSA-N 0 3 278.421 3.343 50 0 CGAAHN C[C@H](c1cccc(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000059931887 299636103 /nfs/dbraw/zinc/63/61/03/299636103.db2.gz ONCUGBITRRXBAY-GFCCVEGCSA-N 0 3 281.783 3.240 50 0 CGAAHN Cc1cccc2nc(CN(C)CC[C@@H]3CC3(F)F)[nH]c21 ZINC000670440212 543154130 /nfs/dbraw/zinc/15/41/30/543154130.db2.gz FRLLJVWSUYMXBD-LLVKDONJSA-N 0 3 279.334 3.348 50 0 CGAAHN CN1C[C@@H]2CCC[C@H]1CN(Cc1cc3ccccc3[nH]1)C2 ZINC000670435460 543154231 /nfs/dbraw/zinc/15/42/31/543154231.db2.gz LRKLXFDIGXIILI-YOEHRIQHSA-N 0 3 283.419 3.084 50 0 CGAAHN Cc1ccccc1OC[C@@H]1CCCN(CCc2ncc[nH]2)C1 ZINC000670462173 543156600 /nfs/dbraw/zinc/15/66/00/543156600.db2.gz IIVSLXTUVQIOQD-MRXNPFEDSA-N 0 3 299.418 3.052 50 0 CGAAHN c1sc(CN[C@@H]2CCOC2)cc1COc1ccccc1 ZINC000670472667 543157443 /nfs/dbraw/zinc/15/74/43/543157443.db2.gz LLAGLBJPOYJIAD-CQSZACIVSA-N 0 3 289.400 3.206 50 0 CGAAHN C[C@@H](c1cccnc1)N(C)CC1(O)CCC(C)CC1 ZINC000093236634 397642168 /nfs/dbraw/zinc/64/21/68/397642168.db2.gz UKBIRLQQBAEKKG-BBBYJDLNSA-N 0 3 262.397 3.016 50 0 CGAAHN CNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000003346502 169881504 /nfs/dbraw/zinc/88/15/04/169881504.db2.gz WQXGLWXDVMXQES-UHFFFAOYSA-N 0 3 266.138 3.429 50 0 CGAAHN N[C@@H](c1ccccc1)c1cccc(Br)c1 ZINC000020391211 171179626 /nfs/dbraw/zinc/17/96/26/171179626.db2.gz SPJBOTWJLJIHLV-ZDUSSCGKSA-N 0 3 262.150 3.497 50 0 CGAAHN CCc1c[nH]nc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000020599521 171266287 /nfs/dbraw/zinc/26/62/87/171266287.db2.gz USYCFDVCQNCTBO-HNNXBMFYSA-N 0 3 287.382 3.491 50 0 CGAAHN COc1ccc(CN2CCCCCC2)c(OC)c1OC ZINC000022591848 171393531 /nfs/dbraw/zinc/39/35/31/171393531.db2.gz BHXZTZMHVZCHSY-UHFFFAOYSA-N 0 3 279.380 3.088 50 0 CGAAHN O=C(CNC1CCCC1)Nc1c(Cl)cccc1Cl ZINC000035159860 172018136 /nfs/dbraw/zinc/01/81/36/172018136.db2.gz BDRACAOSGRKWES-UHFFFAOYSA-N 0 3 287.190 3.464 50 0 CGAAHN Cc1ccc(CN2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000071797313 176264990 /nfs/dbraw/zinc/26/49/90/176264990.db2.gz SHXNCGLJONAIIJ-MRXNPFEDSA-N 0 3 255.365 3.066 50 0 CGAAHN Cn1ccnc1CN1CCC[C@H]1CCc1ccccc1 ZINC000071849911 176276597 /nfs/dbraw/zinc/27/65/97/176276597.db2.gz PGKUAGNXBSYYSX-INIZCTEOSA-N 0 3 269.392 3.017 50 0 CGAAHN CCn1ncc2c1CCC[C@H]2NCc1ccc(C)s1 ZINC000072298387 176363782 /nfs/dbraw/zinc/36/37/82/176363782.db2.gz LIQDXUARVQUJIB-CQSZACIVSA-N 0 3 275.421 3.440 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@H](C)c3ccncc3)C2)n[nH]1 ZINC000685939591 544110066 /nfs/dbraw/zinc/11/00/66/544110066.db2.gz UHYRDCILNLILQG-HIFRSBDPSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@H]2CCCN([C@H](C)c3ccncc3)C2)[nH]n1 ZINC000685939591 544110069 /nfs/dbraw/zinc/11/00/69/544110069.db2.gz UHYRDCILNLILQG-HIFRSBDPSA-N 0 3 270.380 3.054 50 0 CGAAHN CC(C)[C@H](O)[C@@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288537 419738840 /nfs/dbraw/zinc/73/88/40/419738840.db2.gz VLYYESWPIWCQRQ-ULQDDVLXSA-N 0 3 289.419 3.046 50 0 CGAAHN COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccccc1 ZINC000019798374 277940588 /nfs/dbraw/zinc/94/05/88/277940588.db2.gz VGWBMVBBCGVTFI-KRWDZBQOSA-N 0 3 278.355 3.412 50 0 CGAAHN CCCc1ccc(OC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000003684359 278985429 /nfs/dbraw/zinc/98/54/29/278985429.db2.gz SDSWGMRXRGFCQR-QGZVFWFLSA-N 0 3 291.435 3.111 50 0 CGAAHN CCCn1ncnc1[C@@H](C)NC1CCCCCC1 ZINC000534642919 328329188 /nfs/dbraw/zinc/32/91/88/328329188.db2.gz ORUZVISUMNNFGF-GFCCVEGCSA-N 0 3 250.390 3.062 50 0 CGAAHN CCS[C@H]1CC[C@H](N(C)Cc2ccccn2)C1 ZINC000096441699 529234569 /nfs/dbraw/zinc/23/45/69/529234569.db2.gz BONGIWSGQOJMKQ-KBPBESRZSA-N 0 3 250.411 3.188 50 0 CGAAHN CC(C)=CCN[C@@H](C)c1cnc(-c2ccncc2)nc1C ZINC000012072530 625982282 /nfs/dbraw/zinc/98/22/82/625982282.db2.gz KNLODURZDJZZEK-ZDUSSCGKSA-N 0 3 282.391 3.464 50 0 CGAAHN O=C1C[C@@H](NCc2ccsc2)CN1C1CCCCCC1 ZINC000012387499 626069974 /nfs/dbraw/zinc/06/99/74/626069974.db2.gz GOAZSHNQNDTNLF-CQSZACIVSA-N 0 3 292.448 3.161 50 0 CGAAHN Cn1cccc1C(=O)Nc1ccccc1CN1CCCCC1 ZINC000952964606 636775598 /nfs/dbraw/zinc/77/55/98/636775598.db2.gz AWRLPFYSNDOVLZ-UHFFFAOYSA-N 0 3 297.402 3.263 50 0 CGAAHN C[C@H](CO)N[C@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493424 230383438 /nfs/dbraw/zinc/38/34/38/230383438.db2.gz OINYDUKDAGCZAL-RKDXNWHRSA-N 0 3 253.729 3.118 50 0 CGAAHN O=C1NCCCC[C@@H]1NCc1ccc(-c2ccccc2)cc1 ZINC000097971396 230388684 /nfs/dbraw/zinc/38/86/84/230388684.db2.gz DPVJCQDVCXQFIX-SFHVURJKSA-N 0 3 294.398 3.112 50 0 CGAAHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000095968360 185046161 /nfs/dbraw/zinc/04/61/61/185046161.db2.gz VJXIMLANCGEADC-GXSJLCMTSA-N 0 3 291.819 3.244 50 0 CGAAHN CSC[C@@](C)(O)CN[C@H](C)c1ccc(Cl)cc1 ZINC000095968288 185046213 /nfs/dbraw/zinc/04/62/13/185046213.db2.gz CYNSCETXJPJUCK-MFKMUULPSA-N 0 3 273.829 3.105 50 0 CGAAHN COc1ccc([C@H](C)N[C@@H](C)CSC)c(OC)c1 ZINC000095968190 185046295 /nfs/dbraw/zinc/04/62/95/185046295.db2.gz STDBGURJCRFXRA-QWRGUYRKSA-N 0 3 269.410 3.106 50 0 CGAAHN C[C@@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983773 185054469 /nfs/dbraw/zinc/05/44/69/185054469.db2.gz JSQPDEFUONEKJH-DOMZBBRYSA-N 0 3 279.355 3.162 50 0 CGAAHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCc1cccs1 ZINC000247862152 346373279 /nfs/dbraw/zinc/37/32/79/346373279.db2.gz WLERMCPYJVORCQ-YUELXQCFSA-N 0 3 293.432 3.097 50 0 CGAAHN COc1ccc(CCN[C@@H](C)c2nccs2)cc1OC ZINC000086507612 179303771 /nfs/dbraw/zinc/30/37/71/179303771.db2.gz BIUSPDYTUJJSKD-NSHDSACASA-N 0 3 292.404 3.054 50 0 CGAAHN CC(C)=CC[C@]1(CO)CCCN(Cc2c(C)noc2C)C1 ZINC000092061947 180315384 /nfs/dbraw/zinc/31/53/84/180315384.db2.gz FCKUOFPDRVOQPV-QGZVFWFLSA-N 0 3 292.423 3.222 50 0 CGAAHN COc1ccc(CNCc2ccc(F)cc2)cc1OC ZINC000000172208 368308638 /nfs/dbraw/zinc/30/86/38/368308638.db2.gz BXYUQSLIZBQBAY-UHFFFAOYSA-N 0 3 275.323 3.133 50 0 CGAAHN O=C(CCN1CCc2ccccc2C1)Nc1cccc(F)c1 ZINC000000254475 368325193 /nfs/dbraw/zinc/32/51/93/368325193.db2.gz KIHDQLGNQVTPMH-UHFFFAOYSA-N 0 3 298.361 3.213 50 0 CGAAHN CC(C)Oc1ccccc1OCCNCc1ccco1 ZINC000003461516 368507585 /nfs/dbraw/zinc/50/75/85/368507585.db2.gz KQTAGBSEXOIZRM-UHFFFAOYSA-N 0 3 275.348 3.235 50 0 CGAAHN CCOC(=O)c1ccc(CNCc2ccccc2C)cc1 ZINC000004670132 368556291 /nfs/dbraw/zinc/55/62/91/368556291.db2.gz GXDCDNXOIHULML-UHFFFAOYSA-N 0 3 283.371 3.462 50 0 CGAAHN CCCCN[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C ZINC000004573435 368551093 /nfs/dbraw/zinc/55/10/93/368551093.db2.gz BGZNVMKQDDIGOY-JTQLQIEISA-N 0 3 293.798 3.038 50 0 CGAAHN Cc1ccc(NC(=O)NC[C@@H](C)N2CCCC2)cc1Cl ZINC000012223543 368606006 /nfs/dbraw/zinc/60/60/06/368606006.db2.gz NTUZGTSAVUAGHU-GFCCVEGCSA-N 0 3 295.814 3.254 50 0 CGAAHN CCCC[C@H](CC)[C@@H]1OC[C@@H](CN2CCCCC2)O1 ZINC000013142069 368645054 /nfs/dbraw/zinc/64/50/54/368645054.db2.gz ZPDBNCKBKRZZEB-ARFHVFGLSA-N 0 3 269.429 3.430 50 0 CGAAHN c1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019634932 368758592 /nfs/dbraw/zinc/75/85/92/368758592.db2.gz VMOVHEKNZJZXFB-SFHVURJKSA-N 0 3 270.420 3.161 50 0 CGAAHN CC[C@H](C)Oc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000019737914 368763325 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/nfs/dbraw/zinc/67/72/87/369677287.db2.gz KQIWPVMSKJLKFQ-UHFFFAOYSA-N 0 3 281.403 3.142 50 0 CGAAHN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCCCCC1 ZINC000069586650 369764750 /nfs/dbraw/zinc/76/47/50/369764750.db2.gz FJMOVLNXNKADLS-CYBMUJFWSA-N 0 3 294.826 3.221 50 0 CGAAHN c1ccc(NC2CCN(CCc3ccccn3)CC2)cc1 ZINC000069631592 369766702 /nfs/dbraw/zinc/76/67/02/369766702.db2.gz GXBCLPZMOJKFPF-UHFFFAOYSA-N 0 3 281.403 3.201 50 0 CGAAHN CCc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C ZINC000069699863 369768418 /nfs/dbraw/zinc/76/84/18/369768418.db2.gz SZXLHNSDDVDHFH-UONOGXRCSA-N 0 3 292.448 3.009 50 0 CGAAHN CN(Cc1cccc(O)c1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077440415 369946559 /nfs/dbraw/zinc/94/65/59/369946559.db2.gz AQQHVYHSJRIZMM-KRWDZBQOSA-N 0 3 296.414 3.351 50 0 CGAAHN Brc1ccccc1CN[C@H]1CCCOCC1 ZINC000083425504 370003810 /nfs/dbraw/zinc/00/38/10/370003810.db2.gz SXBBYJXKOXHGAW-LBPRGKRZSA-N 0 3 284.197 3.108 50 0 CGAAHN CN(C)[C@H](CNCc1cccnc1)c1ccc(Cl)cc1 ZINC000080237087 369985375 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3.306 50 0 CGAAHN CCOc1ccccc1CNCCc1ccccc1 ZINC000019797565 170869668 /nfs/dbraw/zinc/86/96/68/170869668.db2.gz ZXVALEQJZWRKGI-UHFFFAOYSA-N 0 3 255.361 3.418 50 0 CGAAHN CCN1CCN(CCCSc2ccc(Cl)cc2)CC1 ZINC000020406390 171182139 /nfs/dbraw/zinc/18/21/39/171182139.db2.gz NOXBWRBVUVUIRP-UHFFFAOYSA-N 0 3 298.883 3.460 50 0 CGAAHN Cc1cc(C)c(CNCc2cccc(C(N)=O)c2)cc1C ZINC000035231663 172071580 /nfs/dbraw/zinc/07/15/80/172071580.db2.gz STOFZOHWDJVPAG-UHFFFAOYSA-N 0 3 282.387 3.001 50 0 CGAAHN Fc1ccc(CNCc2ccccc2-n2cccn2)cc1 ZINC000040495409 174294452 /nfs/dbraw/zinc/29/44/52/174294452.db2.gz QWGIIOPFRUYLCX-UHFFFAOYSA-N 0 3 281.334 3.301 50 0 CGAAHN COc1ccccc1OC1CCN(c2ccncc2)CC1 ZINC000077287563 177249061 /nfs/dbraw/zinc/24/90/61/177249061.db2.gz LAMBODZECAOIAP-UHFFFAOYSA-N 0 3 284.359 3.138 50 0 CGAAHN Cc1noc(C)c1CN1C[C@H]2CCN(c3ccccc3)[C@H]2C1 ZINC000685945170 544110812 /nfs/dbraw/zinc/11/08/12/544110812.db2.gz LMTGWBHEPMICMK-QAPCUYQASA-N 0 3 297.402 3.002 50 0 CGAAHN CC[C@H](O)CN(Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000036102178 260035556 /nfs/dbraw/zinc/03/55/56/260035556.db2.gz BBVVAVOBSZAPSG-SFHVURJKSA-N 0 3 299.414 3.468 50 0 CGAAHN C[C@H](C(=O)N1CCC(C)CC1)N1CCC2(C1)CCCCC2 ZINC000170639909 279187800 /nfs/dbraw/zinc/18/78/00/279187800.db2.gz VHIYQCZCDHCSNA-MRXNPFEDSA-N 0 3 292.467 3.290 50 0 CGAAHN Cc1nccn1C[C@H](C)NC1(c2ccc(C)cc2)CC1 ZINC000534587189 328315846 /nfs/dbraw/zinc/31/58/46/328315846.db2.gz LIDJUGDKJQZRBC-AWEZNQCLSA-N 0 3 269.392 3.167 50 0 CGAAHN Cc1ccc(C)c(OCCN2CCC(c3cc[nH]n3)CC2)c1 ZINC000195506586 336055310 /nfs/dbraw/zinc/05/53/10/336055310.db2.gz WVGWSPVCCVKUMS-UHFFFAOYSA-N 0 3 299.418 3.285 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@H](O)c2ccc(F)cc2)nc1 ZINC000096486359 534087472 /nfs/dbraw/zinc/08/74/72/534087472.db2.gz TUMXEBGZBRJFBG-DYVFJYSZSA-N 0 3 288.366 3.131 50 0 CGAAHN CC(C)Nc1ccc(-c2ccc(CN(C)C)cc2)nn1 ZINC000097743375 527761205 /nfs/dbraw/zinc/76/12/05/527761205.db2.gz NCEDHTZUJKQJIY-UHFFFAOYSA-N 0 3 270.380 3.026 50 0 CGAAHN COc1cccc2c1CC[C@H](N[C@@H](C)c1ccccn1)C2 ZINC000192437643 536948688 /nfs/dbraw/zinc/94/86/88/536948688.db2.gz OXEBCWBMUFCTCG-ZFWWWQNUSA-N 0 3 282.387 3.298 50 0 CGAAHN CCc1cc(CN[C@H](C)c2ccccc2-n2cccn2)n[nH]1 ZINC000952966834 615650962 /nfs/dbraw/zinc/65/09/62/615650962.db2.gz FHRVXWDNFHQCQW-CYBMUJFWSA-N 0 3 295.390 3.009 50 0 CGAAHN CC[C@H](c1ccccn1)N(C)Cc1cccc2nonc21 ZINC000952986757 615868531 /nfs/dbraw/zinc/86/85/31/615868531.db2.gz KLBHOYRHJMZFBS-OAHLLOKOSA-N 0 3 282.347 3.201 50 0 CGAAHN C[C@H](C[C@H](C)NCc1cc[nH]n1)SC1CCCC1 ZINC000888098669 619260416 /nfs/dbraw/zinc/26/04/16/619260416.db2.gz NSECJHFPKLXPHF-NWDGAFQWSA-N 0 3 267.442 3.342 50 0 CGAAHN Cc1cc(C)n2ncc(CN[C@@H](C)C3=CCCCC3)c2n1 ZINC000952990957 636776880 /nfs/dbraw/zinc/77/68/80/636776880.db2.gz KMZZRQTYFKJXIC-AWEZNQCLSA-N 0 3 284.407 3.325 50 0 CGAAHN c1ccc2ncc(CN3CC[C@H](c4cnccn4)C3)cc2c1 ZINC000952995466 636778602 /nfs/dbraw/zinc/77/86/02/636778602.db2.gz NIVWFJKEOCBADR-INIZCTEOSA-N 0 3 290.370 3.014 50 0 CGAAHN O=C(Nc1ccccc1CN1CCCC1)C1CC=CC1 ZINC000077736627 798929031 /nfs/dbraw/zinc/92/90/31/798929031.db2.gz VRDCIEICKNEJFE-UHFFFAOYSA-N 0 3 270.376 3.187 50 0 CGAAHN C[C@@H](NC1CSCCSC1)c1cc(F)cc(F)c1 ZINC001506400013 937989636 /nfs/dbraw/zinc/98/96/36/937989636.db2.gz GWBAANXIBMYKFS-SECBINFHSA-N 0 3 289.416 3.464 50 0 CGAAHN Cc1cc(NC(=O)[C@H](N[C@@H](C)C2CC2)c2ccccc2)no1 ZINC000095946725 185038307 /nfs/dbraw/zinc/03/83/07/185038307.db2.gz YQNVPTUHWQTLPX-BLLLJJGKSA-N 0 3 299.374 3.051 50 0 CGAAHN CC(C)CC[C@](C)(O)CN[C@@H](C)c1cncc(F)c1 ZINC000095968331 185046441 /nfs/dbraw/zinc/04/64/41/185046441.db2.gz VSLIYFHEASXTKQ-WFASDCNBSA-N 0 3 268.376 3.059 50 0 CGAAHN Cc1cc(Cl)cc(C)c1CNCC[C@H](C)[S@](C)=O ZINC000095975530 185050639 /nfs/dbraw/zinc/05/06/39/185050639.db2.gz DDTLBJOMCAUTPK-KPZWWZAWSA-N 0 3 287.856 3.204 50 0 CGAAHN Cc1nn(C)c(Cl)c1CN[C@@H]1CCO[C@H](CC(C)C)C1 ZINC000095991121 185058179 /nfs/dbraw/zinc/05/81/79/185058179.db2.gz VGEGFDUJGRNSOG-CHWSQXEVSA-N 0 3 299.846 3.065 50 0 CGAAHN Cc1noc(C)c1CN1CCC(c2ccncc2)CC1 ZINC000191629848 282383860 /nfs/dbraw/zinc/38/38/60/282383860.db2.gz WAXHCUFOXDVITQ-UHFFFAOYSA-N 0 3 271.364 3.066 50 0 CGAAHN COc1ccc(CN[C@@H]2CCO[C@@H]2c2ccccc2)cc1O ZINC000078988898 345627215 /nfs/dbraw/zinc/62/72/15/345627215.db2.gz REFXMWMGXXEMON-CRAIPNDOSA-N 0 3 299.370 3.021 50 0 CGAAHN C[C@@H](SCCCN1CCN(C)CC1)c1cccs1 ZINC000097098683 345906905 /nfs/dbraw/zinc/90/69/05/345906905.db2.gz QVULEHJDUBSLRZ-CYBMUJFWSA-N 0 3 284.494 3.180 50 0 CGAAHN Cc1ccccc1[C@H](NC1CCOCC1)c1ccncc1 ZINC000584900388 346723871 /nfs/dbraw/zinc/72/38/71/346723871.db2.gz PNYXTONOJAIUTF-GOSISDBHSA-N 0 3 282.387 3.248 50 0 CGAAHN CC(C)(C)C[C@@H](O)CNCc1cc2c(ccnc2Cl)o1 ZINC000585137341 346725387 /nfs/dbraw/zinc/72/53/87/346725387.db2.gz TWZZKICHDUBPMU-SNVBAGLBSA-N 0 3 296.798 3.368 50 0 CGAAHN O[C@H]1CC[C@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000601012552 347852034 /nfs/dbraw/zinc/85/20/34/347852034.db2.gz KZHPUOOVICRESI-MSOLQXFVSA-N 0 3 267.372 3.212 50 0 CGAAHN CCO[C@H](CN1CCC=C(c2ccco2)C1)C1CC1 ZINC000625418705 350169859 /nfs/dbraw/zinc/16/98/59/350169859.db2.gz GCZLVWUKQLMKON-MRXNPFEDSA-N 0 3 261.365 3.184 50 0 CGAAHN CC(C)=CC[C@]1(CO)CCCN(Cc2ccoc2)C1 ZINC000091526277 180178926 /nfs/dbraw/zinc/17/89/26/180178926.db2.gz PEDYRKAFWPJTFY-MRXNPFEDSA-N 0 3 263.381 3.210 50 0 CGAAHN CC(C)=CC[C@@]1(CO)CCCN(Cc2c(C)noc2C)C1 ZINC000092061946 180314989 /nfs/dbraw/zinc/31/49/89/180314989.db2.gz FCKUOFPDRVOQPV-KRWDZBQOSA-N 0 3 292.423 3.222 50 0 CGAAHN CCn1c(C)nnc1CN[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000191887649 189607223 /nfs/dbraw/zinc/60/72/23/189607223.db2.gz VGXFFTOLRVAGJN-SJORKVTESA-N 0 3 298.434 3.107 50 0 CGAAHN CCOC(=O)c1c2cc(O)ccc2oc1CN(CC)CC ZINC000000108870 368292760 /nfs/dbraw/zinc/29/27/60/368292760.db2.gz OBWGGOKWQTUIPQ-UHFFFAOYSA-N 0 3 291.347 3.157 50 0 CGAAHN COc1cc2c(cc1OC)C1(CCCCC1)CNC2 ZINC000000343459 368344167 /nfs/dbraw/zinc/34/41/67/368344167.db2.gz TYOLGEIGMAOIIO-UHFFFAOYSA-N 0 3 261.365 3.009 50 0 biogenic CGAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccnc1 ZINC000000514987 368383092 /nfs/dbraw/zinc/38/30/92/368383092.db2.gz LOGKBSJPIGTVFS-UHFFFAOYSA-N 0 3 295.386 3.320 50 0 CGAAHN Clc1ccc(CNC[C@@H]2CCCO2)c(Cl)c1 ZINC000004656782 368553858 /nfs/dbraw/zinc/55/38/58/368553858.db2.gz QDDSJTYRNMUQMU-NSHDSACASA-N 0 3 260.164 3.262 50 0 CGAAHN COc1ccccc1N1CCN(C2CCC(C)CC2)CC1 ZINC000004981408 368559424 /nfs/dbraw/zinc/55/94/24/368559424.db2.gz FAOKJMLDKCGWOD-UHFFFAOYSA-N 0 3 288.435 3.396 50 0 CGAAHN CN[C@@H](CCN1CCCC1)c1ccccc1Cl ZINC000004253620 368539939 /nfs/dbraw/zinc/53/99/39/368539939.db2.gz KHFGTAUHOXBKHC-AWEZNQCLSA-N 0 3 252.789 3.086 50 0 CGAAHN C[C@@H](CNCc1ccco1)COc1ccc(F)cc1 ZINC000004480700 368547485 /nfs/dbraw/zinc/54/74/85/368547485.db2.gz UFOJQXTWEOPVPY-LBPRGKRZSA-N 0 3 263.312 3.223 50 0 CGAAHN Fc1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000006667550 368569080 /nfs/dbraw/zinc/56/90/80/368569080.db2.gz BSMCQFGNFCKUNK-HNNXBMFYSA-N 0 3 274.383 3.304 50 0 CGAAHN CC[C@H](C)[C@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000011960001 368600944 /nfs/dbraw/zinc/60/09/44/368600944.db2.gz FFTAILRALRFAPC-KWQFWETISA-N 0 3 274.286 3.017 50 0 CGAAHN C[C@@H]1CN(CCCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000013153559 368645558 /nfs/dbraw/zinc/64/55/58/368645558.db2.gz GQHHYJDZVGBDKK-OKILXGFUSA-N 0 3 281.371 3.094 50 0 CGAAHN c1ccc(CNC[C@@H]2OCCc3ccccc32)cc1 ZINC000019606455 368758962 /nfs/dbraw/zinc/75/89/62/368758962.db2.gz JCZOWAIOABSXSL-KRWDZBQOSA-N 0 3 253.345 3.090 50 0 biogenic CGAAHN COc1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000019570465 368756839 /nfs/dbraw/zinc/75/68/39/368756839.db2.gz GHTVYGALNWGLQA-UHFFFAOYSA-N 0 3 288.435 3.146 50 0 CGAAHN OC1(CN(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000021984799 368810259 /nfs/dbraw/zinc/81/02/59/368810259.db2.gz QILKRCMMHALAJX-UHFFFAOYSA-N 0 3 267.372 3.214 50 0 CGAAHN CN(C)Cc1ccc(NC(=O)c2ccc(N(C)C)cc2)cc1 ZINC000023898986 368824775 /nfs/dbraw/zinc/82/47/75/368824775.db2.gz SOHZBLXJWLNFPX-UHFFFAOYSA-N 0 3 297.402 3.067 50 0 CGAAHN Cc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)nc1 ZINC000024045229 368828340 /nfs/dbraw/zinc/82/83/40/368828340.db2.gz UHGDZGBQFFYMAS-UHFFFAOYSA-N 0 3 295.386 3.238 50 0 CGAAHN N[C@@H](c1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000019971007 368792403 /nfs/dbraw/zinc/79/24/03/368792403.db2.gz JWINCZBVUPPUFG-HNNXBMFYSA-N 0 3 259.736 3.323 50 0 CGAAHN CCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027582298 368872661 /nfs/dbraw/zinc/87/26/61/368872661.db2.gz UAMVIRLUAOOBPY-INIZCTEOSA-N 0 3 274.408 3.048 50 0 CGAAHN Oc1ccc(C2CCN(Cc3ccccn3)CC2)cc1 ZINC000032891653 368950246 /nfs/dbraw/zinc/95/02/46/368950246.db2.gz AZKLACIKWBCFHN-UHFFFAOYSA-N 0 3 268.360 3.167 50 0 CGAAHN Cc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)s1 ZINC000037163115 369074630 /nfs/dbraw/zinc/07/46/30/369074630.db2.gz PLVWIHGBFNUOAD-SNVBAGLBSA-N 0 3 287.388 3.077 50 0 CGAAHN Cc1ccc2nc(Nc3ccc4c(c3)OCO4)[nH]c2c1 ZINC000041599856 369193224 /nfs/dbraw/zinc/19/32/24/369193224.db2.gz AOLXHZMVRMQBHE-UHFFFAOYSA-N 0 3 267.288 3.344 50 0 CGAAHN Clc1ccc(OC2CNC2)c(-c2ccccc2)c1 ZINC000042769670 369231226 /nfs/dbraw/zinc/23/12/26/369231226.db2.gz VWYVMFWKHSUUOW-UHFFFAOYSA-N 0 3 259.736 3.358 50 0 CGAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cccc(C)n2)c1 ZINC000055074324 369511081 /nfs/dbraw/zinc/51/10/81/369511081.db2.gz XJXGDCUEMJGGAE-HNNXBMFYSA-N 0 3 269.392 3.156 50 0 CGAAHN O=C(Nc1ccccc1)[C@@H]1CCCN1C1CCCCC1 ZINC000055095305 369511263 /nfs/dbraw/zinc/51/12/63/369511263.db2.gz RESWNLDCSHJKQL-INIZCTEOSA-N 0 3 272.392 3.422 50 0 CGAAHN CN(C)Cc1ccc([C@H]2CCCCN2Cc2ncc[nH]2)cc1 ZINC000065385493 369671575 /nfs/dbraw/zinc/67/15/75/369671575.db2.gz BAPSQPFFIJZIKY-QGZVFWFLSA-N 0 3 298.434 3.199 50 0 CGAAHN COc1ccc(C)cc1CN1CCC(c2cn[nH]c2)CC1 ZINC000065467286 369677131 /nfs/dbraw/zinc/67/71/31/369677131.db2.gz CAWUMHVKLHDLRY-UHFFFAOYSA-N 0 3 285.391 3.106 50 0 CGAAHN C[C@@H]1c2ccsc2CCN1CCc1ccncc1 ZINC000069460542 369760807 /nfs/dbraw/zinc/76/08/07/369760807.db2.gz ULRXJBHYYSMFQN-GFCCVEGCSA-N 0 3 258.390 3.305 50 0 CGAAHN CCC(C)(C)NC(=O)[C@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000069737725 369769641 /nfs/dbraw/zinc/76/96/41/369769641.db2.gz UVVCEZALBQSUGV-HOCLYGCPSA-N 0 3 288.435 3.169 50 0 CGAAHN CCSC[C@@H](C)NCc1nn(C)c2ccc(C)cc12 ZINC000067756160 369727115 /nfs/dbraw/zinc/72/71/15/369727115.db2.gz JRIPTHPGDVJVOR-GFCCVEGCSA-N 0 3 277.437 3.113 50 0 CGAAHN CCOc1ccc(CNCc2ccccc2N(C)C)cc1 ZINC000075582517 369914148 /nfs/dbraw/zinc/91/41/48/369914148.db2.gz KGRNVNMXEPZEKK-UHFFFAOYSA-N 0 3 284.403 3.441 50 0 CGAAHN c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)nc1 ZINC000075572904 369914332 /nfs/dbraw/zinc/91/43/32/369914332.db2.gz GNYOAVYVXYRSBZ-INIZCTEOSA-N 0 3 260.381 3.005 50 0 CGAAHN CCOc1cccc([C@@H]2NCCc3ccccc32)c1 ZINC000083618878 370008450 /nfs/dbraw/zinc/00/84/50/370008450.db2.gz QTXHUYVFQZUGFW-KRWDZBQOSA-N 0 3 253.345 3.320 50 0 CGAAHN Cc1cc(C)n(C[C@@H](C)CN[C@H](C)c2ccco2)n1 ZINC000089594074 370043477 /nfs/dbraw/zinc/04/34/77/370043477.db2.gz VDFWCLFEXXXHRP-SMDDNHRTSA-N 0 3 261.369 3.080 50 0 CGAAHN Cc1nn(CC(C)C)c(Cl)c1CNCC1CC1 ZINC000095350098 370177686 /nfs/dbraw/zinc/17/76/86/370177686.db2.gz AQZMUOWMBRTURW-UHFFFAOYSA-N 0 3 255.793 3.001 50 0 CGAAHN COc1ccccc1[C@H]1CCN(Cc2cccn2C)C1 ZINC000093593822 370145419 /nfs/dbraw/zinc/14/54/19/370145419.db2.gz JSCQLEBIDRGJDM-AWEZNQCLSA-N 0 3 270.376 3.023 50 0 CGAAHN CSC[C@@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000093761533 370156658 /nfs/dbraw/zinc/15/66/58/370156658.db2.gz WAKWUBHEIWXFML-NSHDSACASA-N 0 3 268.451 3.348 50 0 CGAAHN CN(Cc1cc(C(F)(F)F)ccc1F)C[C@H]1CCOC1 ZINC000093840138 370165321 /nfs/dbraw/zinc/16/53/21/370165321.db2.gz OGJZVRKJKOUXKE-SNVBAGLBSA-N 0 3 291.288 3.313 50 0 CGAAHN Fc1ccc(C2(NC3CCOCC3)CCC2)c(F)c1 ZINC000097038881 370216252 /nfs/dbraw/zinc/21/62/52/370216252.db2.gz OKYLZZURQFCKGM-UHFFFAOYSA-N 0 3 267.319 3.113 50 0 CGAAHN Fc1ccc(Cl)cc1CN[C@H]1CCCc2cn[nH]c21 ZINC000097229638 370234862 /nfs/dbraw/zinc/23/48/62/370234862.db2.gz NCYVQOFYLNKSQC-ZDUSSCGKSA-N 0 3 279.746 3.369 50 0 CGAAHN C[C@H](NCCC(=O)NCc1ccccc1)c1cccs1 ZINC000095421413 370188185 /nfs/dbraw/zinc/18/81/85/370188185.db2.gz DZBFPDDNVCREBY-ZDUSSCGKSA-N 0 3 288.416 3.105 50 0 CGAAHN c1cn(Cc2ccc(-c3ccc4c(c3)CNC4)cc2)cn1 ZINC000096161104 370205632 /nfs/dbraw/zinc/20/56/32/370205632.db2.gz ARBXUFQDJQHQBW-UHFFFAOYSA-N 0 3 275.355 3.202 50 0 CGAAHN Cc1cc(NC(=O)CN[C@@H]2CCC[C@H]2CCC(C)C)no1 ZINC000170607270 372641727 /nfs/dbraw/zinc/64/17/27/372641727.db2.gz NATBUALIHZVSNV-UONOGXRCSA-N 0 3 293.411 3.116 50 0 CGAAHN C[C@@H]1C[C@@H](c2cccnc2)N(Cc2cccc(O)c2)C1 ZINC000170606872 372641854 /nfs/dbraw/zinc/64/18/54/372641854.db2.gz DVWLMVVZBFDJHT-DYVFJYSZSA-N 0 3 268.360 3.370 50 0 CGAAHN C[C@H](C(=O)N1CCCCCC1)N1CCCC(C)(C)CC1 ZINC000170639838 372645664 /nfs/dbraw/zinc/64/56/64/372645664.db2.gz PPZAAINAXUHDBQ-OAHLLOKOSA-N 0 3 280.456 3.290 50 0 CGAAHN CCOc1ccccc1CN1CCC[C@@H](CCOC)C1 ZINC000214957676 376145021 /nfs/dbraw/zinc/14/50/21/376145021.db2.gz FJHUXZDYRSRRRI-HNNXBMFYSA-N 0 3 277.408 3.334 50 0 CGAAHN Cc1nccn1CCN(C)Cc1ccc(Cl)c(F)c1 ZINC000215618549 376149562 /nfs/dbraw/zinc/14/95/62/376149562.db2.gz OZKZHFAHRJMAFS-UHFFFAOYSA-N 0 3 281.762 3.116 50 0 CGAAHN Cc1ccc([C@H]2CCCN2CCc2cccnc2)o1 ZINC000242273736 376780313 /nfs/dbraw/zinc/78/03/13/376780313.db2.gz YFNLAGSKNXOMNQ-OAHLLOKOSA-N 0 3 256.349 3.363 50 0 CGAAHN CN(Cc1cnc2ccccc2c1)C[C@@H]1CCCCN1C ZINC000252485489 377629184 /nfs/dbraw/zinc/62/91/84/377629184.db2.gz GWNBAPLUMQUDBT-KRWDZBQOSA-N 0 3 283.419 3.151 50 0 CGAAHN COc1cc(CNCc2cccc(NC(C)=O)c2)ccc1C ZINC000252488902 377631206 /nfs/dbraw/zinc/63/12/06/377631206.db2.gz JBJYZIJVKWSEHI-UHFFFAOYSA-N 0 3 298.386 3.252 50 0 CGAAHN Cc1ncccc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000348803236 379059370 /nfs/dbraw/zinc/05/93/70/379059370.db2.gz WGWUUZMITMARJH-GFCCVEGCSA-N 0 3 295.386 3.126 50 0 CGAAHN Cc1ncccc1CN[C@H]1CCCc2c(O)cccc21 ZINC000191662876 542262028 /nfs/dbraw/zinc/26/20/28/542262028.db2.gz LDGVJDKKUFHZEP-INIZCTEOSA-N 0 3 268.360 3.263 50 0 CGAAHN Cc1oc2ccccc2c1CN[C@H]1CCC(=O)NC12CCC2 ZINC000283097366 380033925 /nfs/dbraw/zinc/03/39/25/380033925.db2.gz SPQMALLONRLGRD-INIZCTEOSA-N 0 3 298.386 3.032 50 0 CGAAHN CCOC(=O)C1CCN(Cc2cc(C)ccc2C)CC1 ZINC000000237786 169583168 /nfs/dbraw/zinc/58/31/68/169583168.db2.gz GSEWWZQAVDXSOB-UHFFFAOYSA-N 0 3 275.392 3.079 50 0 CGAAHN c1ccc2[nH]c([C@H]3CCCN(C[C@H]4CCCCO4)C3)nc2c1 ZINC000245339319 542321301 /nfs/dbraw/zinc/32/13/01/542321301.db2.gz RXVGRERLHAGWCA-LSDHHAIUSA-N 0 3 299.418 3.311 50 0 CGAAHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000096414853 392251444 /nfs/dbraw/zinc/25/14/44/392251444.db2.gz SUUXUWYCFMUDLT-CJNGLKHVSA-N 0 3 292.398 3.254 50 0 CGAAHN COc1cc(-c2ccc(C)cc2)cc2c1OCCNC2 ZINC000299799565 392581042 /nfs/dbraw/zinc/58/10/42/392581042.db2.gz SSXCBPGVKMBXHU-UHFFFAOYSA-N 0 3 269.344 3.153 50 0 CGAAHN CCN(Cc1ccc(OC)cc1F)CC1CCOCC1 ZINC000216467296 392991324 /nfs/dbraw/zinc/99/13/24/392991324.db2.gz RVVCWQPFBRDSLR-UHFFFAOYSA-N 0 3 281.371 3.083 50 0 CGAAHN CN1CC[C@@]2(C1)CCCN(c1nc3ccccc3s1)C2 ZINC000670457017 543155721 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/nfs/dbraw/zinc/26/57/62/176265762.db2.gz YLIHBOORJLJRIF-HNNXBMFYSA-N 0 3 292.386 3.427 50 0 CGAAHN Cn1ccnc1CN1CCC[C@@H]1CCc1ccccc1 ZINC000071849910 176276420 /nfs/dbraw/zinc/27/64/20/176276420.db2.gz PGKUAGNXBSYYSX-MRXNPFEDSA-N 0 3 269.392 3.017 50 0 CGAAHN C[C@H](c1cccc(O)c1)N(C)CCc1ccccn1 ZINC000071897187 176292313 /nfs/dbraw/zinc/29/23/13/176292313.db2.gz XDAHKOZKNHHNNK-CYBMUJFWSA-N 0 3 256.349 3.023 50 0 CGAAHN Cc1nccn1CCCN1CCCC[C@H]1c1ccccn1 ZINC000072129224 176321113 /nfs/dbraw/zinc/32/11/13/176321113.db2.gz SOAYQLRGXFRBSZ-KRWDZBQOSA-N 0 3 284.407 3.204 50 0 CGAAHN CCn1cc(CN(C)[C@H]2CCCc3ccccc32)cn1 ZINC000072165647 176331086 /nfs/dbraw/zinc/33/10/86/176331086.db2.gz BLLRKINQHFXBCV-KRWDZBQOSA-N 0 3 269.392 3.412 50 0 CGAAHN C[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nnc(C2CCC2)o1 ZINC000685939534 544109930 /nfs/dbraw/zinc/10/99/30/544109930.db2.gz DSMDHPVUAWZQQN-KWCYVHTRSA-N 0 3 275.396 3.490 50 0 CGAAHN CCOc1ccc(Cl)cc1CNCCCn1ccnc1 ZINC000039279940 260172055 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625059892 /nfs/dbraw/zinc/05/98/92/625059892.db2.gz KQHLJTHAPWAVIX-SNVBAGLBSA-N 0 3 295.333 3.365 50 0 CGAAHN Cc1nc(CNCC2(CC(C)C)CCC2)n(C)c1C ZINC000952971442 636775755 /nfs/dbraw/zinc/77/57/55/636775755.db2.gz KCXYPCNPCAFPLX-UHFFFAOYSA-N 0 3 263.429 3.343 50 0 CGAAHN CC[C@H](C)Oc1ccccc1CN(C)CC1(C)COC1 ZINC000822645473 800462634 /nfs/dbraw/zinc/46/26/34/800462634.db2.gz KTSGNBIARZPEDX-AWEZNQCLSA-N 0 3 277.408 3.332 50 0 CGAAHN C[C@H](CO)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493422 230383212 /nfs/dbraw/zinc/38/32/12/230383212.db2.gz OINYDUKDAGCZAL-BDAKNGLRSA-N 0 3 253.729 3.118 50 0 CGAAHN C[C@H](N[C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(O)c1 ZINC000194934712 230396122 /nfs/dbraw/zinc/39/61/22/230396122.db2.gz IMYHOPSJDGRZRY-SUNYJGFJSA-N 0 3 285.387 3.035 50 0 CGAAHN CC(C)[C@@H](C)N(C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000095962556 185044968 /nfs/dbraw/zinc/04/49/68/185044968.db2.gz SMPVQRWRTBSDFA-CYBMUJFWSA-N 0 3 275.371 3.488 50 0 CGAAHN CC(C)(C)[S@](=O)CCN[C@H]1CCSc2ccccc21 ZINC000095968110 185047165 /nfs/dbraw/zinc/04/71/65/185047165.db2.gz OFORJAQZVLJMQJ-DJJJIMSYSA-N 0 3 297.489 3.360 50 0 CGAAHN CCC[C@@H](CN1CCCN(C(C)=O)CC1)c1ccccc1 ZINC000095986558 185056373 /nfs/dbraw/zinc/05/63/73/185056373.db2.gz VQPLJVVXKKBSIT-SFHVURJKSA-N 0 3 288.435 3.125 50 0 CGAAHN COc1ccc(CCN(C)Cc2cccs2)cc1OC ZINC000019809192 344890604 /nfs/dbraw/zinc/89/06/04/344890604.db2.gz CXPWUYSGDKRGLY-UHFFFAOYSA-N 0 3 291.416 3.440 50 0 CGAAHN c1ccc([C@H](NCCC2=CCOCC2)c2ccccn2)cc1 ZINC000097233927 345907482 /nfs/dbraw/zinc/90/74/82/345907482.db2.gz CAIBQWFKUBKBMK-IBGZPJMESA-N 0 3 294.398 3.497 50 0 CGAAHN C[C@H](NC1(CO)CC1)c1ccc(SC(F)F)cc1 ZINC000170068521 346193479 /nfs/dbraw/zinc/19/34/79/346193479.db2.gz JNZRGORRYQIERW-VIFPVBQESA-N 0 3 273.348 3.177 50 0 CGAAHN C[C@H](N[C@H]1CCCC[C@H]1n1cccn1)c1cccc(O)c1 ZINC000249626744 346382767 /nfs/dbraw/zinc/38/27/67/346382767.db2.gz UELHZBBJIYDFML-RRQGHBQHSA-N 0 3 285.391 3.423 50 0 CGAAHN Cn1cc([C@@H]2CCN(C/C=C/c3ccc(F)cc3)C2)cn1 ZINC000128485500 187373598 /nfs/dbraw/zinc/37/35/98/187373598.db2.gz DUKJZPWCENJNAN-XYBNCVKDSA-N 0 3 285.366 3.062 50 0 CGAAHN Cc1nccn1-c1ccc([C@@H](C)NCc2cccn2C)cc1 ZINC000086279324 179262708 /nfs/dbraw/zinc/26/27/08/179262708.db2.gz ZRMAPVGTFLDUOE-CQSZACIVSA-N 0 3 294.402 3.370 50 0 CGAAHN CCC[C@]1(CO)CCCN(CCCC(F)(F)F)C1 ZINC000091876428 180278916 /nfs/dbraw/zinc/27/89/16/180278916.db2.gz KVDKWHDXCHJZTR-LBPRGKRZSA-N 0 3 267.335 3.204 50 0 CGAAHN CCOc1ccc(CN(C)CCc2ccccn2)cc1 ZINC000000200604 368314627 /nfs/dbraw/zinc/31/46/27/368314627.db2.gz QZWCGRVBYUHVKQ-UHFFFAOYSA-N 0 3 270.376 3.155 50 0 CGAAHN CN(C/C(Cl)=C/c1ccccc1)C1CCN(C)CC1 ZINC000000218836 368318329 /nfs/dbraw/zinc/31/83/29/368318329.db2.gz MEZHOKWEUJBGCF-QINSGFPZSA-N 0 3 278.827 3.292 50 0 CGAAHN CCOC(=O)[C@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000000236919 368321724 /nfs/dbraw/zinc/32/17/24/368321724.db2.gz BAPJBXNYFMRBNC-AWEZNQCLSA-N 0 3 293.432 3.184 50 0 CGAAHN COc1ccc2ccccc2c1CN1CCSCC1 ZINC000000183157 368310824 /nfs/dbraw/zinc/31/08/24/368310824.db2.gz 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3.438 50 0 CGAAHN O=C(NC[C@@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000032721274 368941429 /nfs/dbraw/zinc/94/14/29/368941429.db2.gz VDVOFKHPTSEWSC-AWEZNQCLSA-N 0 3 292.448 3.191 50 0 CGAAHN CCC[C@@H](NCc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000032851010 368948512 /nfs/dbraw/zinc/94/85/12/368948512.db2.gz MUXYFWYYDQWLOH-QGZVFWFLSA-N 0 3 282.387 3.417 50 0 CGAAHN COc1ccc(CNc2ccc3nc(C)[nH]c3c2)cc1 ZINC000037139666 369066760 /nfs/dbraw/zinc/06/67/60/369066760.db2.gz UZUCXVCYUSTPBB-UHFFFAOYSA-N 0 3 267.332 3.492 50 0 CGAAHN CCC(C)(C)c1ccc(OC2CNC2)c(Br)c1 ZINC000042769643 369231056 /nfs/dbraw/zinc/23/10/56/369231056.db2.gz HHEPWFRXFVFYJQ-UHFFFAOYSA-N 0 3 298.224 3.487 50 0 CGAAHN CCN(Cc1nnc(-c2ccco2)o1)C1CCCC1 ZINC000044950435 369272088 /nfs/dbraw/zinc/27/20/88/369272088.db2.gz HZMZHYRXGUFFJP-UHFFFAOYSA-N 0 3 261.325 3.094 50 0 CGAAHN CN(Cc1cc(Cl)cc2c1OCOC2)CC1CC1 ZINC000052106401 369463891 /nfs/dbraw/zinc/46/38/91/369463891.db2.gz PAOFSJNMANHRSV-UHFFFAOYSA-N 0 3 267.756 3.048 50 0 CGAAHN O=C1NCCCC[C@H]1NCc1cccc(-c2ccccc2)c1 ZINC000054174492 369497484 /nfs/dbraw/zinc/49/74/84/369497484.db2.gz SNJITMBCTUIDRS-GOSISDBHSA-N 0 3 294.398 3.112 50 0 CGAAHN COc1ccccc1NC(=O)[C@H](C)N[C@@H](C)c1ccccc1 ZINC000057392081 369537307 /nfs/dbraw/zinc/53/73/07/369537307.db2.gz ZFHXZHJKHYIVBA-KBPBESRZSA-N 0 3 298.386 3.373 50 0 CGAAHN Clc1cccc(CN2CCCN(C3CC3)CC2)c1 ZINC000058406223 369566908 /nfs/dbraw/zinc/56/69/08/369566908.db2.gz AEPURTYYGQRTDK-UHFFFAOYSA-N 0 3 264.800 3.010 50 0 CGAAHN CCCO[C@H]1CCCN(Cc2ccc(NC(C)=O)cc2)C1 ZINC000065386450 369670529 /nfs/dbraw/zinc/67/05/29/369670529.db2.gz INWVMTAMIHFZOJ-KRWDZBQOSA-N 0 3 290.407 3.036 50 0 CGAAHN COc1c(C)cnc(CN2CCC(n3cccc3)CC2)c1C ZINC000067227382 369714180 /nfs/dbraw/zinc/71/41/80/369714180.db2.gz HGQOEBXPSAYUDN-UHFFFAOYSA-N 0 3 299.418 3.346 50 0 CGAAHN CN(CCc1ccccc1)Cc1ccc(Cl)nc1 ZINC000065396573 369672586 /nfs/dbraw/zinc/67/25/86/369672586.db2.gz UMKINMOIPJIZQU-UHFFFAOYSA-N 0 3 260.768 3.410 50 0 CGAAHN C/C=C(\C)CN1CC[C@H](c2cc(OC)ccc2OC)C1 ZINC000065452935 369677621 /nfs/dbraw/zinc/67/76/21/369677621.db2.gz RYLBOMBMOILHHT-GUVYXZIWSA-N 0 3 275.392 3.459 50 0 CGAAHN c1ccc([C@H]2CCCN2C2CSCCSC2)nc1 ZINC000065493522 369678731 /nfs/dbraw/zinc/67/87/31/369678731.db2.gz ZGIHQIXGTZRUGR-CQSZACIVSA-N 0 3 280.462 3.067 50 0 CGAAHN Fc1cccc(COCc2ccc3c(c2)CNCCO3)c1 ZINC000066323496 369692924 /nfs/dbraw/zinc/69/29/24/369692924.db2.gz TVZSOAADKNLTST-UHFFFAOYSA-N 0 3 287.334 3.025 50 0 CGAAHN CC[C@@](C)(O)CNCc1cnc(-c2ccccc2)s1 ZINC000069900997 369775068 /nfs/dbraw/zinc/77/50/68/369775068.db2.gz CTASASIWZGUNGO-OAHLLOKOSA-N 0 3 276.405 3.061 50 0 CGAAHN Fc1ccc(/C=C/CN2CCC(n3cccn3)CC2)cc1 ZINC000092618077 370099253 /nfs/dbraw/zinc/09/92/53/370099253.db2.gz MQIFZFJJOBVIGN-HNQUOIGGSA-N 0 3 285.366 3.373 50 0 CGAAHN CC(C)c1nsc(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)n1 ZINC000089893699 370048612 /nfs/dbraw/zinc/04/86/12/370048612.db2.gz SCODDZKOAOOAQO-OLZOCXBDSA-N 0 3 294.468 3.113 50 0 CGAAHN COc1ccc(C[C@H](C)N(C)Cc2ccncc2)cc1 ZINC000095401507 370182787 /nfs/dbraw/zinc/18/27/87/370182787.db2.gz JLXZYFRLLANXGH-AWEZNQCLSA-N 0 3 270.376 3.153 50 0 CGAAHN CCOC[C@H]1CCCN(Cc2ccc(OC)s2)C1 ZINC000093419576 370128202 /nfs/dbraw/zinc/12/82/02/370128202.db2.gz LJWZYZWCEZZTOC-LBPRGKRZSA-N 0 3 269.410 3.005 50 0 CGAAHN C[C@H](c1cccc(F)c1)N1CCC(c2cnn(C)c2)CC1 ZINC000097203249 370232422 /nfs/dbraw/zinc/23/24/22/370232422.db2.gz HPHIBCYGRSESCC-CYBMUJFWSA-N 0 3 287.382 3.500 50 0 CGAAHN Cc1cccc(CN[C@@H](C)CSC(C)(C)C)n1 ZINC000095420621 370188131 /nfs/dbraw/zinc/18/81/31/370188131.db2.gz SEAGJIYKESNDRC-LBPRGKRZSA-N 0 3 252.427 3.400 50 0 CGAAHN Cc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C2)cc1C(C)C ZINC000095513027 370201982 /nfs/dbraw/zinc/20/19/82/370201982.db2.gz NHJUXSJGRPQIEI-OAHLLOKOSA-N 0 3 289.423 3.286 50 0 CGAAHN Cc1cc(C)nc(-c2ccc([C@H](C)N(C)C)cc2)n1 ZINC000426544579 372163690 /nfs/dbraw/zinc/16/36/90/372163690.db2.gz YPMYVDAKRLPCHS-ZDUSSCGKSA-N 0 3 255.365 3.383 50 0 CGAAHN c1cc2c(o1)CCC[C@@H]2NCc1c[nH]c2ncccc12 ZINC000091016314 541965086 /nfs/dbraw/zinc/96/50/86/541965086.db2.gz UHQBQWBQKKWCNC-AWEZNQCLSA-N 0 3 267.332 3.323 50 0 CGAAHN CC[C@H](N[C@H](C)C[S@](C)=O)c1cccc(Cl)c1F ZINC000185988218 374781981 /nfs/dbraw/zinc/78/19/81/374781981.db2.gz AQGUZCFLNDDHSG-ZMDDKVTMSA-N 0 3 291.819 3.287 50 0 CGAAHN CC[C@H](NCc1ccc(Br)o1)[C@H]1CCCO1 ZINC000191486491 375632724 /nfs/dbraw/zinc/63/27/24/375632724.db2.gz OSUQLHSUGOLRDF-WDEREUQCSA-N 0 3 288.185 3.089 50 0 CGAAHN Cc1[nH]c2c(cccc2CN2CC(N3CCCCC3)C2)c1C ZINC000215965924 376155119 /nfs/dbraw/zinc/15/51/19/376155119.db2.gz JYUGCGFVRSMLSW-UHFFFAOYSA-N 0 3 297.446 3.455 50 0 CGAAHN CCc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000222052735 376227640 /nfs/dbraw/zinc/22/76/40/376227640.db2.gz DWYCIHQFZYDWAR-LBPRGKRZSA-N 0 3 271.408 3.450 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H]2CCOC2)o1 ZINC000225501842 376314449 /nfs/dbraw/zinc/31/44/49/376314449.db2.gz HCGQBJBJNPYKMN-GFCCVEGCSA-N 0 3 275.323 3.273 50 0 CGAAHN C[C@H]1CN2CCCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000225323776 376303464 /nfs/dbraw/zinc/30/34/64/376303464.db2.gz ZHRJSLVJPPCYLS-BBRMVZONSA-N 0 3 278.827 3.399 50 0 CGAAHN NCc1cccc(C(=O)N[C@H]2CCCc3cc(F)ccc32)c1 ZINC000252508762 377635315 /nfs/dbraw/zinc/63/53/15/377635315.db2.gz XSYNXQWNXNTIIL-KRWDZBQOSA-N 0 3 298.361 3.092 50 0 CGAAHN CCOC[C@H]1CCN(C/C=C\c2ccc(F)cc2)C1 ZINC000255316894 377750092 /nfs/dbraw/zinc/75/00/92/377750092.db2.gz RMCNNUXQNVDKJA-JZIMQPMSSA-N 0 3 263.356 3.197 50 0 CGAAHN CCn1nc(CN[C@@H](C)CC(C)(C)OC)c2ccccc21 ZINC000274380832 378822787 /nfs/dbraw/zinc/82/27/87/378822787.db2.gz AICFDUGYQFYWML-ZDUSSCGKSA-N 0 3 289.423 3.349 50 0 CGAAHN Cc1cccc(CNC[C@@H]2COC3(CCCCC3)O2)c1C ZINC000095989196 256882192 /nfs/dbraw/zinc/88/21/92/256882192.db2.gz NSWQEGAOMMSMHK-QGZVFWFLSA-N 0 3 289.419 3.469 50 0 CGAAHN Cc1ccc(NC(=O)CCN[C@@H](C)c2cccs2)nc1 ZINC000095422398 184977086 /nfs/dbraw/zinc/97/70/86/184977086.db2.gz IVQNVTGEKRHTJG-LBPRGKRZSA-N 0 3 289.404 3.131 50 0 CGAAHN CC(C)[C@@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000022092714 391943745 /nfs/dbraw/zinc/94/37/45/391943745.db2.gz GGTJVEKHYYSQSH-CQSZACIVSA-N 0 3 289.404 3.069 50 0 CGAAHN CC(C)[C@H](NCC(=O)Nc1nccs1)c1ccccc1 ZINC000022092719 391943888 /nfs/dbraw/zinc/94/38/88/391943888.db2.gz GGTJVEKHYYSQSH-AWEZNQCLSA-N 0 3 289.404 3.069 50 0 CGAAHN Cc1ccc([C@@](C)(O)CN[C@@H]2CCCc3occc32)o1 ZINC000192900251 392864181 /nfs/dbraw/zinc/86/41/81/392864181.db2.gz UUAQQNPGXPIJDT-CJNGLKHVSA-N 0 3 275.348 3.056 50 0 CGAAHN Cc1nccn1CC1CCN(C[C@@H](C)C(F)(F)F)CC1 ZINC000215429130 392987788 /nfs/dbraw/zinc/98/77/88/392987788.db2.gz IGNNBHMICWCGEL-LLVKDONJSA-N 0 3 289.345 3.102 50 0 CGAAHN Cc1cccc([C@H]2CCCN(Cc3cncn3C)C2)c1 ZINC000216532696 392990715 /nfs/dbraw/zinc/99/07/15/392990715.db2.gz DLFYRDUPPQQGHF-INIZCTEOSA-N 0 3 269.392 3.108 50 0 CGAAHN COc1ccc(F)c(CN[C@@](C)(CO)C2CCCCC2)c1 ZINC000585085895 542768866 /nfs/dbraw/zinc/76/88/66/542768866.db2.gz MPUYLPRHQYTZSI-KRWDZBQOSA-N 0 3 295.398 3.255 50 0 CGAAHN C[C@@H](CC(F)(F)F)NCc1ccc(-c2ncon2)cc1 ZINC000670449198 543155950 /nfs/dbraw/zinc/15/59/50/543155950.db2.gz NFNAEPRINKYWBN-VIFPVBQESA-N 0 3 285.269 3.167 50 0 CGAAHN CN(CCCn1cccn1)Cc1ccc2cccc(F)c2n1 ZINC000670449167 543155229 /nfs/dbraw/zinc/15/52/29/543155229.db2.gz UUSLAWLFPVBCJK-UHFFFAOYSA-N 0 3 298.365 3.093 50 0 CGAAHN COc1ccc2c(c1)CCN(CC[C@@H]1CC1(F)F)C2 ZINC000670458309 543156645 /nfs/dbraw/zinc/15/66/45/543156645.db2.gz UGLCBRONMNBTNE-CYBMUJFWSA-N 0 3 267.319 3.099 50 0 CGAAHN Cc1ccc(NC(=O)NCCCN2CC=CC2)cc1Cl ZINC000101445266 397644928 /nfs/dbraw/zinc/64/49/28/397644928.db2.gz GMIMFDWSLHYFRI-UHFFFAOYSA-N 0 3 293.798 3.032 50 0 CGAAHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000004899495 170038135 /nfs/dbraw/zinc/03/81/35/170038135.db2.gz CEZPKIGJZWWHJT-NHYWBVRUSA-N 0 3 256.349 3.152 50 0 in-vitro CGAAHN C[C@@H](O)c1ccc(-c2ccc(CNC3CC3)o2)cc1 ZINC000004942996 170043599 /nfs/dbraw/zinc/04/35/99/170043599.db2.gz TYRUYFLGDDXNES-LLVKDONJSA-N 0 3 257.333 3.252 50 0 CGAAHN CCN1CCC(NC(=O)c2ccc3ccccc3c2)CC1 ZINC000007964205 170309856 /nfs/dbraw/zinc/30/98/56/170309856.db2.gz BGTXEBPSEFPNFV-UHFFFAOYSA-N 0 3 282.387 3.054 50 0 CGAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCC(C)CC1 ZINC000008700823 170346786 /nfs/dbraw/zinc/34/67/86/170346786.db2.gz CDQDRPNWRSZQLX-UHFFFAOYSA-N 0 3 270.376 3.481 50 0 CGAAHN CC(C)C[C@H](CNCc1ccc(F)cc1F)N(C)C ZINC000020201098 171064623 /nfs/dbraw/zinc/06/46/23/171064623.db2.gz ZKIWUEKNXPFCBX-CQSZACIVSA-N 0 3 270.367 3.031 50 0 CGAAHN C[C@H](COc1cccc2ccccc21)CN1CCN(C)CC1 ZINC000020358219 171157552 /nfs/dbraw/zinc/15/75/52/171157552.db2.gz UZAKPJWEDZHORJ-INIZCTEOSA-N 0 3 298.430 3.102 50 0 CGAAHN CN1CCC[C@@H](C(=O)c2ccc3c4c(cccc42)CC3)C1 ZINC000020390161 171178994 /nfs/dbraw/zinc/17/89/94/171178994.db2.gz QVDSOGCQKCOFOW-OAHLLOKOSA-N 0 3 279.383 3.463 50 0 CGAAHN CN1CCN(CCCOc2cccc(C(C)(C)C)c2)CC1 ZINC000020652868 171269057 /nfs/dbraw/zinc/26/90/57/171269057.db2.gz ZAWMMJUBILHBBP-UHFFFAOYSA-N 0 3 290.451 3.000 50 0 CGAAHN CCN(CC)[C@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000029167293 171588592 /nfs/dbraw/zinc/58/85/92/171588592.db2.gz LTNXQGHSZHOKEF-MRXNPFEDSA-N 0 3 286.375 3.093 50 0 CGAAHN CC(C)CNC(=O)CN[C@@H](C)c1cccc2ccccc21 ZINC000038668729 174151463 /nfs/dbraw/zinc/15/14/63/174151463.db2.gz QOYVMSBQHQYKMX-AWEZNQCLSA-N 0 3 284.403 3.263 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)C(C)(C)C)c1ccccc1 ZINC000040615113 174353812 /nfs/dbraw/zinc/35/38/12/174353812.db2.gz STELSPVIMHXYMS-HNNXBMFYSA-N 0 3 276.424 3.232 50 0 CGAAHN C[C@H](c1cccc(O)c1)N(C)CCC(=O)Nc1ccccc1 ZINC000071892960 176291802 /nfs/dbraw/zinc/29/18/02/176291802.db2.gz SFWRFOYKLWABCR-CQSZACIVSA-N 0 3 298.386 3.414 50 0 CGAAHN CNC(=O)c1ccc(CNC/C(C)=C/c2ccccc2)cc1 ZINC000071924535 176301632 /nfs/dbraw/zinc/30/16/32/176301632.db2.gz AEBLQKYCXVNZJT-NTCAYCPXSA-N 0 3 294.398 3.239 50 0 CGAAHN CC(C)c1cc(CN2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)on1 ZINC000072121731 176320157 /nfs/dbraw/zinc/32/01/57/176320157.db2.gz QNNYLQLSJTWJPY-CUFDPUGPSA-N 0 3 260.381 3.276 50 0 CGAAHN c1coc(CN2CCC(OCc3ccccc3)CC2)c1 ZINC000072158713 176329614 /nfs/dbraw/zinc/32/96/14/176329614.db2.gz DCFWDURAAKSHHN-UHFFFAOYSA-N 0 3 271.360 3.461 50 0 CGAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2C[C@@H]3O)o1 ZINC000072165048 176330983 /nfs/dbraw/zinc/33/09/83/176330983.db2.gz JNEKBFVXUPEGHA-SFHVURJKSA-N 0 3 297.398 3.039 50 0 CGAAHN COCCCN1CCCC[C@H]1c1ccc(F)cc1 ZINC000072167245 176331539 /nfs/dbraw/zinc/33/15/39/176331539.db2.gz KFWMHQYBQSXJBC-HNNXBMFYSA-N 0 3 251.345 3.389 50 0 CGAAHN CC[C@@H]1CN(Cc2cccc(F)c2C)CCN1C(C)C ZINC000072169839 176332269 /nfs/dbraw/zinc/33/22/69/176332269.db2.gz POACFCZITUWCPN-MRXNPFEDSA-N 0 3 278.415 3.439 50 0 CGAAHN COCCC[C@@H]1CCCCN1Cc1cc(CC(C)C)n[nH]1 ZINC000077323714 177253357 /nfs/dbraw/zinc/25/33/57/177253357.db2.gz QUGFDOLXZQBDOP-KRWDZBQOSA-N 0 3 293.455 3.389 50 0 CGAAHN COCCC[C@@H]1CCCCN1Cc1cc(CC(C)C)[nH]n1 ZINC000077323714 177253358 /nfs/dbraw/zinc/25/33/58/177253358.db2.gz QUGFDOLXZQBDOP-KRWDZBQOSA-N 0 3 293.455 3.389 50 0 CGAAHN O[C@H](CCc1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000077375132 177259663 /nfs/dbraw/zinc/25/96/63/177259663.db2.gz UCWCRENWYWHGJT-LJQANCHMSA-N 0 3 296.414 3.292 50 0 CGAAHN Cc1nccn1CC[C@@H]1CCCCN1Cc1ccncc1 ZINC000077453085 177270184 /nfs/dbraw/zinc/27/01/84/177270184.db2.gz GUSHDGIGDWDXQM-KRWDZBQOSA-N 0 3 284.407 3.031 50 0 CGAAHN c1oc(-c2ccccc2)nc1CCNCc1ccncc1 ZINC000078552468 177353351 /nfs/dbraw/zinc/35/33/51/177353351.db2.gz SMDZQYVCCWYZBE-UHFFFAOYSA-N 0 3 279.343 3.069 50 0 CGAAHN COc1ccc(F)c(CN(C)CCC[C@H]2CCCO2)c1 ZINC000215023406 262338579 /nfs/dbraw/zinc/33/85/79/262338579.db2.gz GNZKGWJILDJKPY-AWEZNQCLSA-N 0 3 281.371 3.225 50 0 CGAAHN CC(C)(C)[S@@](=O)CCN[C@@H]1CCCc2sccc21 ZINC000095968119 277263346 /nfs/dbraw/zinc/26/33/46/277263346.db2.gz UHISFXISRDLQGB-KZULUSFZSA-N 0 3 285.478 3.262 50 0 CGAAHN COc1cc2c(cc1OC)[C@@H](c1cccs1)NCC2 ZINC000019623977 277855220 /nfs/dbraw/zinc/85/52/20/277855220.db2.gz GLXRHRXCWKOJAR-HNNXBMFYSA-N 0 3 275.373 3.000 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000004094071 278509023 /nfs/dbraw/zinc/50/90/23/278509023.db2.gz RJXDBTDFBZRPHG-FLXSYLCISA-N 0 3 293.451 3.452 50 0 CGAAHN COc1ccc2oc(CN[C@@H](C)CC(C)(C)OC)nc2c1 ZINC000534637844 328334484 /nfs/dbraw/zinc/33/44/84/328334484.db2.gz QXXOZNBFAKSEHG-NSHDSACASA-N 0 3 292.379 3.130 50 0 CGAAHN Clc1ccccc1C1(N[C@H]2CCSC2)CC1 ZINC000534651042 328337147 /nfs/dbraw/zinc/33/71/47/328337147.db2.gz PSAWFPZTQGJSOA-JTQLQIEISA-N 0 3 253.798 3.424 50 0 CGAAHN Cc1cc(C)nc(-c2ccc([C@@H](C)N(C)C)cc2)n1 ZINC000426544578 330511630 /nfs/dbraw/zinc/51/16/30/330511630.db2.gz YPMYVDAKRLPCHS-CYBMUJFWSA-N 0 3 255.365 3.383 50 0 CGAAHN CS[C@H]1CC[C@H](N(C)Cc2cccc(NC(C)=O)c2)C1 ZINC000096441607 534115738 /nfs/dbraw/zinc/11/57/38/534115738.db2.gz RZHVIKWGYOJOCS-HOTGVXAUSA-N 0 3 292.448 3.361 50 0 CGAAHN c1ccc(CC2(CNCc3ccccn3)CC2)cc1 ZINC000096483139 534482787 /nfs/dbraw/zinc/48/27/87/534482787.db2.gz RVKFBNWEZMEANB-UHFFFAOYSA-N 0 3 252.361 3.194 50 0 CGAAHN CCCc1cccc(CN2CCC(c3nncn3C)CC2)c1 ZINC000186905593 528632228 /nfs/dbraw/zinc/63/22/28/528632228.db2.gz RYWZHBYYWZOHPT-UHFFFAOYSA-N 0 3 298.434 3.147 50 0 CGAAHN c1ccc2[nH]c([C@@H]3CCCN(C[C@H]4CCCCO4)C3)nc2c1 ZINC000019742165 567211045 /nfs/dbraw/zinc/21/10/45/567211045.db2.gz RXVGRERLHAGWCA-HUUCEWRRSA-N 0 3 299.418 3.311 50 0 CGAAHN C[C@]1(c2ccccc2)C[C@H](O)C[C@H](c2ccccc2)N1 ZINC000004104275 619066291 /nfs/dbraw/zinc/06/62/91/619066291.db2.gz UIYVXTMJZHAIIU-KZNAEPCWSA-N 0 3 267.372 3.387 50 0 CGAAHN CCC[C@H]1CCCCN1Cc1cc(C(N)=O)cs1 ZINC000184233721 625214435 /nfs/dbraw/zinc/21/44/35/625214435.db2.gz ZBUVMLBJLONKOB-LBPRGKRZSA-N 0 3 266.410 3.002 50 0 CGAAHN CC[C@H](C(=O)NC(C)(C)c1ccc(C)cc1)N(C)CC ZINC000822549823 800461606 /nfs/dbraw/zinc/46/16/06/800461606.db2.gz XHVXBYUEIICBKO-OAHLLOKOSA-N 0 3 276.424 3.077 50 0 CGAAHN CC[C@H]1CN(Cc2ccc(Cl)o2)CCN1C(C)C ZINC000952868234 800684939 /nfs/dbraw/zinc/68/49/39/800684939.db2.gz GPFWZANYODOAIQ-LBPRGKRZSA-N 0 3 270.804 3.238 50 0 CGAAHN OCCN(Cc1ccc(F)cc1)Cc1cccc2cc[nH]c21 ZINC000952864362 800685066 /nfs/dbraw/zinc/68/50/66/800685066.db2.gz YOZRGOAGFCZITD-UHFFFAOYSA-N 0 3 298.361 3.302 50 0 CGAAHN c1cc(CN[C@@H]2CCSC2)cc(N2CCCCCC2)n1 ZINC000096477320 230379811 /nfs/dbraw/zinc/37/98/11/230379811.db2.gz NUPDSLZKQSLXGM-OAHLLOKOSA-N 0 3 291.464 3.057 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@@H](O)c2cccs2)nc1 ZINC000095978224 185052034 /nfs/dbraw/zinc/05/20/34/185052034.db2.gz RBXCZEIAPAHFIQ-GXTWGEPZSA-N 0 3 276.405 3.053 50 0 CGAAHN Cc1ncccc1CN[C@H](C)C[C@@H](O)c1cccs1 ZINC000095978245 185052151 /nfs/dbraw/zinc/05/21/51/185052151.db2.gz FDLKLJAFARQBQP-BXUZGUMPSA-N 0 3 276.405 3.053 50 0 CGAAHN CCCCn1nc(C)nc1-c1cccc(CN(C)C)c1 ZINC000096139799 185106038 /nfs/dbraw/zinc/10/60/38/185106038.db2.gz LHPYFADYPDEHTH-UHFFFAOYSA-N 0 3 272.396 3.115 50 0 CGAAHN COc1cccc([C@H](C)NC[C@@H](O)c2ccc(C)cc2)c1 ZINC000084148689 178804497 /nfs/dbraw/zinc/80/44/97/178804497.db2.gz HOYOIRFBMXNQLZ-KBXCAEBGSA-N 0 3 285.387 3.388 50 0 CGAAHN CN(C)CCN(C(=O)Nc1ccccc1F)C1CCCC1 ZINC000075572653 345513559 /nfs/dbraw/zinc/51/35/59/345513559.db2.gz UCQVGSCLTPRDSI-UHFFFAOYSA-N 0 3 293.386 3.164 50 0 CGAAHN c1ccc(CCCN2CCOC3(CCCC3)C2)cc1 ZINC000158251068 188366428 /nfs/dbraw/zinc/36/64/28/188366428.db2.gz QPCIPYIRDAASAX-UHFFFAOYSA-N 0 3 259.393 3.264 50 0 CGAAHN c1ccc(CCN2CCN(c3ccccc3)CC2)cc1 ZINC000000279277 368331842 /nfs/dbraw/zinc/33/18/42/368331842.db2.gz AMIUKHHHHJYBCP-UHFFFAOYSA-N 0 3 266.388 3.051 50 0 CGAAHN Cc1ccc(CNCc2ccc3c(c2)OCO3)cc1 ZINC000002477902 368455388 /nfs/dbraw/zinc/45/53/88/368455388.db2.gz ZVNDYCMEZPKSHC-UHFFFAOYSA-N 0 3 255.317 3.014 50 0 CGAAHN COc1ccc(C(=O)CNC2CCCCCC2)cc1 ZINC000003288623 368500800 /nfs/dbraw/zinc/50/08/00/368500800.db2.gz IZLFIAIEHYXZSF-UHFFFAOYSA-N 0 3 261.365 3.190 50 0 CGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C(C)(C)C ZINC000004027932 368527252 /nfs/dbraw/zinc/52/72/52/368527252.db2.gz GEXNGOWIYXVINF-HOCLYGCPSA-N 0 3 286.419 3.175 50 0 biogenic CGAAHN c1ccc(N2CCN([C@@H]3CCc4ccccc4C3)CC2)cc1 ZINC000006667587 368569157 /nfs/dbraw/zinc/56/91/57/368569157.db2.gz HUEUWCHQWQLOHO-HXUWFJFHSA-N 0 3 292.426 3.366 50 0 CGAAHN Cc1cc(C)cc(NC(=O)N[C@H](C)CN2CCCCC2)c1 ZINC000006008611 368565932 /nfs/dbraw/zinc/56/59/32/368565932.db2.gz KALUKGNJMIIXIT-OAHLLOKOSA-N 0 3 289.423 3.299 50 0 CGAAHN CC[C@H](C)n1cc(CNCCc2cccc(OC)c2)cn1 ZINC000012398281 368611809 /nfs/dbraw/zinc/61/18/09/368611809.db2.gz IMBUPMZODJJLOF-AWEZNQCLSA-N 0 3 287.407 3.195 50 0 CGAAHN O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCCN1 ZINC000012481478 368614424 /nfs/dbraw/zinc/61/44/24/368614424.db2.gz IABICIBDDWBMFQ-NSHDSACASA-N 0 3 273.163 3.074 50 0 CGAAHN OC1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000013144166 368645212 /nfs/dbraw/zinc/64/52/12/368645212.db2.gz NPTPSTMWVJJQKD-UHFFFAOYSA-N 0 3 297.398 3.222 50 0 CGAAHN COc1cccc(CNCCc2ccc(F)cc2)c1OC ZINC000019720731 368761853 /nfs/dbraw/zinc/76/18/53/368761853.db2.gz LLUBAMRZDJSUNC-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN CC[C@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788140 368765388 /nfs/dbraw/zinc/76/53/88/368765388.db2.gz YENWJFPWRVSWLY-ZDUSSCGKSA-N 0 3 266.816 3.256 50 0 CGAAHN O[C@@H]1CCCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000023282044 368820022 /nfs/dbraw/zinc/82/00/22/368820022.db2.gz JJYRBCABTTXNBQ-GOSISDBHSA-N 0 3 297.398 3.222 50 0 CGAAHN CCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCCC1 ZINC000027582293 368873175 /nfs/dbraw/zinc/87/31/75/368873175.db2.gz UAMVIRLUAOOBPY-MRXNPFEDSA-N 0 3 274.408 3.048 50 0 CGAAHN Cc1c(Cl)ccc2c(=O)c(CN3CCCCC3)c[nH]c12 ZINC000028294877 368885155 /nfs/dbraw/zinc/88/51/55/368885155.db2.gz ISCSKHIYGUEWFW-UHFFFAOYSA-N 0 3 290.794 3.476 50 0 CGAAHN Cc1ccc(COCc2ccc3c(c2)CNCCO3)cc1 ZINC000034928809 368980665 /nfs/dbraw/zinc/98/06/65/368980665.db2.gz DVANSLNENDYHLQ-UHFFFAOYSA-N 0 3 283.371 3.194 50 0 CGAAHN Cc1ccc(NC(=O)CN(CC(C)C)C(C)C)cc1 ZINC000032810009 368946851 /nfs/dbraw/zinc/94/68/51/368946851.db2.gz IVOVQEQEAJROFW-UHFFFAOYSA-N 0 3 262.397 3.300 50 0 CGAAHN CC[C@H](C)N(Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099385 369008593 /nfs/dbraw/zinc/00/85/93/369008593.db2.gz BDOXPSWTKNOCFU-HOCLYGCPSA-N 0 3 299.480 3.382 50 0 CGAAHN COc1ccccc1CNCCc1nc(C)c(C)s1 ZINC000041621332 369193823 /nfs/dbraw/zinc/19/38/23/369193823.db2.gz RLKUTAZCWWGSKJ-UHFFFAOYSA-N 0 3 276.405 3.101 50 0 CGAAHN COC(=O)c1cccn1C1CCN(Cc2ccccc2)CC1 ZINC000047844089 369328906 /nfs/dbraw/zinc/32/89/06/369328906.db2.gz QFDSWGSYPJDOLK-UHFFFAOYSA-N 0 3 298.386 3.112 50 0 CGAAHN Cc1cccc([C@H](C)N2CCC[C@@H](N3CCCC3=O)C2)c1 ZINC000227266612 189782701 /nfs/dbraw/zinc/78/27/01/189782701.db2.gz UAZITUQQRCDWGP-DOTOQJQBSA-N 0 3 286.419 3.143 50 0 CGAAHN COc1ccc([C@H](C)NC[C@H]2CCC=CO2)c(OC)c1 ZINC000050268036 369433585 /nfs/dbraw/zinc/43/35/85/369433585.db2.gz YLSUYFXPYHEORI-GXTWGEPZSA-N 0 3 277.364 3.047 50 0 CGAAHN Fc1cccnc1NC1CCN(Cc2ccccc2)CC1 ZINC000054700511 369504890 /nfs/dbraw/zinc/50/48/90/369504890.db2.gz RNOYJMFFJJZQGK-UHFFFAOYSA-N 0 3 285.366 3.297 50 0 CGAAHN COC[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000056908392 369530121 /nfs/dbraw/zinc/53/01/21/369530121.db2.gz KZTNCBPEHXPUTO-GFCCVEGCSA-N 0 3 253.773 3.198 50 0 CGAAHN FC(F)(F)c1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000058405700 369567607 /nfs/dbraw/zinc/56/76/07/369567607.db2.gz XKYOSKSOYSYRRM-UHFFFAOYSA-N 0 3 298.352 3.376 50 0 CGAAHN Cc1nc(CN[C@H](C)Cc2cccc(F)c2)cs1 ZINC000065395315 369672480 /nfs/dbraw/zinc/67/24/80/369672480.db2.gz XREIZRAAMOTGJL-SNVBAGLBSA-N 0 3 264.369 3.311 50 0 CGAAHN C[C@H](c1cccnc1)N(C)Cc1cccc(-n2cccn2)c1 ZINC000065426609 369675688 /nfs/dbraw/zinc/67/56/88/369675688.db2.gz JTVRTOVYXHMNBA-OAHLLOKOSA-N 0 3 292.386 3.460 50 0 CGAAHN O=C(c1cc2ccccc2o1)N1CCC[C@@H]1CN1CCCC1 ZINC000065499604 369678687 /nfs/dbraw/zinc/67/86/87/369678687.db2.gz HVVDFHCWSJJCNY-OAHLLOKOSA-N 0 3 298.386 3.133 50 0 CGAAHN CN(C(=O)c1occc1-c1ccccc1)C1CCN(C)CC1 ZINC000069416729 369759393 /nfs/dbraw/zinc/75/93/93/369759393.db2.gz XYRUCNSPSUGVMA-UHFFFAOYSA-N 0 3 298.386 3.113 50 0 CGAAHN Fc1ccccc1NC1CCN(CCc2ccccn2)CC1 ZINC000072688123 369834736 /nfs/dbraw/zinc/83/47/36/369834736.db2.gz KKEBVFPQYVBIBJ-UHFFFAOYSA-N 0 3 299.393 3.340 50 0 CGAAHN Cc1ccc(CN[C@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000089656079 370044920 /nfs/dbraw/zinc/04/49/20/370044920.db2.gz ZWJPTNBHEPCHPM-LBPRGKRZSA-N 0 3 291.782 3.005 50 0 CGAAHN COc1ccc(C)cc1CN1CCC(c2cnn(C)c2)CC1 ZINC000097203167 370232377 /nfs/dbraw/zinc/23/23/77/370232377.db2.gz VWHFMZDDXMYGOB-UHFFFAOYSA-N 0 3 299.418 3.117 50 0 CGAAHN CCOc1cc(CN[C@@H]2CCc3ccccc32)ccn1 ZINC000095420320 370188528 /nfs/dbraw/zinc/18/85/28/370188528.db2.gz HQNJLOKKDICTLT-MRXNPFEDSA-N 0 3 268.360 3.257 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000112716537 370446019 /nfs/dbraw/zinc/44/60/19/370446019.db2.gz HGBQRXODPKZVMA-WDEREUQCSA-N 0 3 288.313 3.306 50 0 CGAAHN CCC[C@@H](N[C@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761387 375089051 /nfs/dbraw/zinc/08/90/51/375089051.db2.gz LHSYRVKUPAYFFV-UONOGXRCSA-N 0 3 280.437 3.190 50 0 CGAAHN CCOc1ccccc1CN1CCC[C@H](CCOC)C1 ZINC000214957628 376144782 /nfs/dbraw/zinc/14/47/82/376144782.db2.gz FJHUXZDYRSRRRI-OAHLLOKOSA-N 0 3 277.408 3.334 50 0 CGAAHN C=Cn1cc(CN[C@](C)(CC)c2ccccc2)cn1 ZINC000225582894 376316936 /nfs/dbraw/zinc/31/69/36/376316936.db2.gz CYFMMRZXFKFCDE-MRXNPFEDSA-N 0 3 255.365 3.399 50 0 CGAAHN Cc1nc(CN[C@H]2CCCC23CCOCC3)c(C)s1 ZINC000225726686 376323644 /nfs/dbraw/zinc/32/36/44/376323644.db2.gz BTSXBESCQVBKKR-AWEZNQCLSA-N 0 3 280.437 3.199 50 0 CGAAHN CCc1ccc(CN2CCC(c3cc[nH]n3)CC2)s1 ZINC000539816521 376332839 /nfs/dbraw/zinc/33/28/39/376332839.db2.gz PFAYPVGZPUASQR-UHFFFAOYSA-N 0 3 275.421 3.413 50 0 CGAAHN Cc1cccc([C@H]2CCCN2CCOCC(C)C)n1 ZINC000252479249 377625864 /nfs/dbraw/zinc/62/58/64/377625864.db2.gz BBWYPZVZPYGHNG-MRXNPFEDSA-N 0 3 262.397 3.200 50 0 CGAAHN NCc1c(Cl)cc(OCC(F)(F)F)cc1Cl ZINC000575442097 377912461 /nfs/dbraw/zinc/91/24/61/377912461.db2.gz HLIKKNOGFLQMBU-UHFFFAOYSA-N 0 3 274.069 3.393 50 0 CGAAHN Cc1cc(CNCc2ccnc(N3CCCC3)c2)ccc1F ZINC000264394477 377982793 /nfs/dbraw/zinc/98/27/93/377982793.db2.gz UBSVLGQFOOMEDI-UHFFFAOYSA-N 0 3 299.393 3.419 50 0 CGAAHN COc1ccc2c(c1)CCC[C@H]2N(C)Cc1[nH]ncc1C ZINC000356084861 380789902 /nfs/dbraw/zinc/78/99/02/380789902.db2.gz LTYSLSZJCMHNDK-QGZVFWFLSA-N 0 3 285.391 3.236 50 0 CGAAHN C[C@@H](NC1CC(c2ccc(F)cc2)C1)c1cnn(C)c1 ZINC000096494817 533329446 /nfs/dbraw/zinc/32/94/46/533329446.db2.gz SKDVWIISNFSECH-FFKNIBCLSA-N 0 3 273.355 3.156 50 0 CGAAHN C[C@@H](NCc1ccncc1F)[C@@H](c1ccccc1)N(C)C ZINC000449251955 533464459 /nfs/dbraw/zinc/46/44/59/533464459.db2.gz SWWDTVMCMMLUSP-DYVFJYSZSA-N 0 3 287.382 3.002 50 0 CGAAHN Cc1ccc2c(CN3CCCC[C@H]3C)cc(=O)oc2c1 ZINC000002215255 391915815 /nfs/dbraw/zinc/91/58/15/391915815.db2.gz OCEHGVSIIHMTHY-CYBMUJFWSA-N 0 3 271.360 3.476 50 0 CGAAHN C[C@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCCO1 ZINC000252678306 131136580 /nfs/dbraw/zinc/13/65/80/131136580.db2.gz DMFDEQFBQXPCAZ-BXUZGUMPSA-N 0 3 285.334 3.460 50 0 CGAAHN c1ccc(C2=NO[C@H](CN3CCC4(CCCC4)C3)C2)cc1 ZINC000670453874 543155902 /nfs/dbraw/zinc/15/59/02/543155902.db2.gz JNVNNYJEBCJYDJ-INIZCTEOSA-N 0 3 284.403 3.446 50 0 CGAAHN Cc1cccc([C@H]2CCCN(Cc3cnc(N)s3)C2)c1 ZINC000670458607 543156795 /nfs/dbraw/zinc/15/67/95/543156795.db2.gz ABIQFBPXIYICHV-AWEZNQCLSA-N 0 3 287.432 3.413 50 0 CGAAHN O=C(CNC1CCCCC1)Nc1ccc(Cl)cc1 ZINC000004976651 170047822 /nfs/dbraw/zinc/04/78/22/170047822.db2.gz HDZRFSIJEXJAFO-UHFFFAOYSA-N 0 3 266.772 3.201 50 0 CGAAHN Cc1cc(N2CCCN(C)CC2)nc2cc(Cl)ccc12 ZINC000005006534 170054056 /nfs/dbraw/zinc/05/40/56/170054056.db2.gz HYKNYFJFLPXZRE-UHFFFAOYSA-N 0 3 289.810 3.339 50 0 CGAAHN COc1ccc(CNC/C=C/c2ccccc2)cc1 ZINC000006698107 170227251 /nfs/dbraw/zinc/22/72/51/170227251.db2.gz IQQXLSODJFFWOV-VMPITWQZSA-N 0 3 253.345 3.498 50 0 CGAAHN Cc1nc(-c2cccc(NC(=O)CNC(C)C)c2)cs1 ZINC000008734813 170351886 /nfs/dbraw/zinc/35/18/86/170351886.db2.gz HTCUOJMMNYHDAI-UHFFFAOYSA-N 0 3 289.404 3.055 50 0 CGAAHN Cn1cc(CN2CCC(Cc3ccccc3F)CC2)cn1 ZINC000020999180 171284410 /nfs/dbraw/zinc/28/44/10/171284410.db2.gz GOCRLUXGURHQGU-UHFFFAOYSA-N 0 3 287.382 3.014 50 0 CGAAHN COc1ccc(OCCN2CCc3ccccc3C2)cc1 ZINC000022385695 171386140 /nfs/dbraw/zinc/38/61/40/171386140.db2.gz KUHBAJLVWGYQJN-UHFFFAOYSA-N 0 3 283.371 3.132 50 0 CGAAHN C[C@H]1CCC[C@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255500 173066060 /nfs/dbraw/zinc/06/60/60/173066060.db2.gz SEFXUGDSQDTBHK-FZMZJTMJSA-N 0 3 280.799 3.447 50 0 CGAAHN C[C@@H]1CCCN(CCNc2nccc(C3CCCC3)n2)C1 ZINC000071419437 176160515 /nfs/dbraw/zinc/16/05/15/176160515.db2.gz ATPQLRNGNQZWTK-CQSZACIVSA-N 0 3 288.439 3.278 50 0 CGAAHN CCC[C@@](C)(CO)NCc1csc(Br)c1 ZINC000072289927 176361711 /nfs/dbraw/zinc/36/17/11/176361711.db2.gz VBDZKTKSRMTPOV-NSHDSACASA-N 0 3 292.242 3.151 50 0 CGAAHN C[C@@H](N)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000036872146 274241299 /nfs/dbraw/zinc/24/12/99/274241299.db2.gz UWHMJSSTNHZKQC-ZCFIWIBFSA-N 0 3 256.136 3.403 50 0 CGAAHN CN1C[C@H](c2ccco2)[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000005719743 277205862 /nfs/dbraw/zinc/20/58/62/277205862.db2.gz FIMPJCWBSXAFIG-UONOGXRCSA-N 0 3 289.762 3.461 50 0 CGAAHN COc1cc2c(cc1OC)CN([C@@H]1CC[C@@H](C)C1)CC2 ZINC000005722106 277394198 /nfs/dbraw/zinc/39/41/98/277394198.db2.gz QEQPVXMSEFTRIW-IUODEOHRSA-N 0 3 275.392 3.251 50 0 CGAAHN COc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000252417 277430682 /nfs/dbraw/zinc/43/06/82/277430682.db2.gz ITPCPUZQSFRMJO-QGZVFWFLSA-N 0 3 278.355 3.412 50 0 biogenic CGAAHN CC(C)(C)C1CCC(C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000027932572 278299980 /nfs/dbraw/zinc/29/99/80/278299980.db2.gz HQKVAPBKZMMEFI-GPANFISMSA-N 0 3 292.467 3.146 50 0 CGAAHN Fc1cccc2c1OCCC[C@H]2N[C@H]1CCSC1 ZINC000096499653 294765352 /nfs/dbraw/zinc/76/53/52/294765352.db2.gz BFIXMAVNIGKKRQ-GXFFZTMASA-N 0 3 267.369 3.135 50 0 CGAAHN Fc1ccc(F)c([C@@H](NC2CCOCC2)C2CC2)c1 ZINC000096478838 303130408 /nfs/dbraw/zinc/13/04/08/303130408.db2.gz STXREHUARXHKOA-HNNXBMFYSA-N 0 3 267.319 3.185 50 0 CGAAHN COc1ccc2c(c1)[C@@H](NCCc1ccccn1)CCCO2 ZINC000089466900 327170335 /nfs/dbraw/zinc/17/03/35/327170335.db2.gz DVVPZJOKPZZCOX-KRWDZBQOSA-N 0 3 298.386 3.136 50 0 CGAAHN C[C@@H](CNCc1cccnc1)c1nc2ccccc2o1 ZINC000096446418 534061149 /nfs/dbraw/zinc/06/11/49/534061149.db2.gz XAHOGPGKBUFZEX-LBPRGKRZSA-N 0 3 267.332 3.116 50 0 CGAAHN C[Si](C)(C)c1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000195788829 572525720 /nfs/dbraw/zinc/52/57/20/572525720.db2.gz UIYGROSDSAAWBE-OAHLLOKOSA-N 0 3 284.479 3.167 50 0 CGAAHN c1csc(CNCCCn2ccc3ccccc32)n1 ZINC000110908054 618926709 /nfs/dbraw/zinc/92/67/09/618926709.db2.gz MZDUUKHTUFIBGS-UHFFFAOYSA-N 0 3 271.389 3.278 50 0 CGAAHN C[C@]1(c2ccccc2)C[C@@H](O)C[C@H](c2ccccc2)N1 ZINC000004104277 619065901 /nfs/dbraw/zinc/06/59/01/619065901.db2.gz UIYVXTMJZHAIIU-RCCFBDPRSA-N 0 3 267.372 3.387 50 0 CGAAHN Fc1ccc(-c2noc3c2CN(CC2CC2)CC3)cc1F ZINC000071768094 625161226 /nfs/dbraw/zinc/16/12/26/625161226.db2.gz HJAVRMZUYKRFAE-UHFFFAOYSA-N 0 3 290.313 3.388 50 0 CGAAHN CCCNC(=O)c1cccc(CN[C@H](C)C2(Cl)CC2)c1 ZINC000863983304 629721795 /nfs/dbraw/zinc/72/17/95/629721795.db2.gz FPWFXLPSSYIDTL-GFCCVEGCSA-N 0 3 294.826 3.076 50 0 CGAAHN Fc1ccc(F)c([C@H](NC2CCOCC2)C2CC2)c1 ZINC000096478836 230380153 /nfs/dbraw/zinc/38/01/53/230380153.db2.gz STXREHUARXHKOA-OAHLLOKOSA-N 0 3 267.319 3.185 50 0 CGAAHN CC(C)CC[C@@](C)(O)CN[C@H](C)c1cncc(F)c1 ZINC000095968334 185046598 /nfs/dbraw/zinc/04/65/98/185046598.db2.gz VSLIYFHEASXTKQ-IUODEOHRSA-N 0 3 268.376 3.059 50 0 CGAAHN C[C@H](NCCCO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969286 185047374 /nfs/dbraw/zinc/04/73/74/185047374.db2.gz JXVOGVSWFKZSQG-DZGCQCFKSA-N 0 3 289.375 3.279 50 0 CGAAHN C[C@@H]1OCC[C@H]1NCc1ccnc(SC(C)(C)C)c1 ZINC000095995902 185060108 /nfs/dbraw/zinc/06/01/08/185060108.db2.gz PTRKUSKIWZERIP-WCQYABFASA-N 0 3 280.437 3.239 50 0 CGAAHN CC[C@H](NC[C@@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000161957073 346177290 /nfs/dbraw/zinc/17/72/90/346177290.db2.gz YSAJLKRVWAIHRD-RJVCPDIVSA-N 0 3 291.819 3.287 50 0 CGAAHN c1ncc(CN[C@@H]2CCO[C@H](c3ccccc3)C2)s1 ZINC000157430799 346161442 /nfs/dbraw/zinc/16/14/42/346161442.db2.gz AGLDJQDUQNWWST-HIFRSBDPSA-N 0 3 274.389 3.153 50 0 CGAAHN c1ccc([C@@H](NCCC2=CCOCC2)c2ccncc2)cc1 ZINC000195553883 346272876 /nfs/dbraw/zinc/27/28/76/346272876.db2.gz JSDBGSGTNXOJEN-LJQANCHMSA-N 0 3 294.398 3.497 50 0 CGAAHN COc1cccc(-c2ccc(-c3c[nH]c(N)n3)cc2)c1OC ZINC000584903769 346723804 /nfs/dbraw/zinc/72/38/04/346723804.db2.gz NEXABONLJBWGMU-UHFFFAOYSA-N 0 3 295.342 3.173 50 0 CGAAHN CC(C)=CC[C@]1(CO)CCCN(CCc2ccccn2)C1 ZINC000091381667 180144261 /nfs/dbraw/zinc/14/42/61/180144261.db2.gz YYGBYVPRTTYMTD-GOSISDBHSA-N 0 3 288.435 3.055 50 0 CGAAHN CC(C)=CCN1C[C@H]2CC[C@@H]1CN(c1nccs1)C2 ZINC000091820384 180264119 /nfs/dbraw/zinc/26/41/19/180264119.db2.gz DTZMMTVDROVHEF-ZIAGYGMSSA-N 0 3 277.437 3.010 50 0 CGAAHN COCCC[C@@]1(CO)CCCN(Cc2sccc2C)C1 ZINC000091950670 180291375 /nfs/dbraw/zinc/29/13/75/180291375.db2.gz RTHGQSULGIUOKX-INIZCTEOSA-N 0 3 297.464 3.058 50 0 CGAAHN CS[C@@H]1CCC[C@@H]1N(C)Cc1cn2ccccc2n1 ZINC000110642426 186308997 /nfs/dbraw/zinc/30/89/97/186308997.db2.gz IPYKMTAWIGWYEB-UONOGXRCSA-N 0 3 275.421 3.050 50 0 CGAAHN CS[C@@H]1CCC[C@H]1N(C)Cc1c(C)noc1C ZINC000110642471 186309080 /nfs/dbraw/zinc/30/90/80/186309080.db2.gz CPKVBTLGXYSVEX-CHWSQXEVSA-N 0 3 254.399 3.007 50 0 CGAAHN Ic1ccccc1[C@H]1CCCCN1 ZINC000002545042 283041569 /nfs/dbraw/zinc/04/15/69/283041569.db2.gz SIKBDSQZWPSXMA-LLVKDONJSA-N 0 3 287.144 3.106 50 0 CGAAHN C[C@H]1Cc2c3ccccc3[nH]c2[C@@]2(CNc3ccccc32)N1 ZINC000000518640 368382267 /nfs/dbraw/zinc/38/22/67/368382267.db2.gz APRJFLZRSMYBET-BUXKBTBVSA-N 0 3 289.382 3.371 50 0 biogenic CGAAHN CN(C)CCOC(=O)/C(=C/c1ccccc1)c1ccccc1 ZINC000001995791 368443113 /nfs/dbraw/zinc/44/31/13/368443113.db2.gz FAEYKPJTNIFJLJ-OBGWFSINSA-N 0 3 295.382 3.332 50 0 CGAAHN Clc1cccc(CSc2nnc([C@@H]3CCCN3)o2)c1 ZINC000004294904 368541877 /nfs/dbraw/zinc/54/18/77/368541877.db2.gz DACYRJAMGBYLIQ-NSHDSACASA-N 0 3 295.795 3.440 50 0 CGAAHN Cc1cccc(C(=O)NCc2ccccc2CN(C)C)c1C ZINC000024084386 368829756 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/nfs/dbraw/zinc/40/40/90/369404090.db2.gz MLJRWLIZMUNMNM-UHFFFAOYSA-N 0 3 298.390 3.111 50 0 CGAAHN COc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)c1ccccc1 ZINC000057392085 369537784 /nfs/dbraw/zinc/53/77/84/369537784.db2.gz ZFHXZHJKHYIVBA-UONOGXRCSA-N 0 3 298.386 3.373 50 0 CGAAHN Cc1ccccc1CN(CCN(C)C)Cc1nccs1 ZINC000055393583 369516238 /nfs/dbraw/zinc/51/62/38/369516238.db2.gz SXRXRIASEPLUKM-UHFFFAOYSA-N 0 3 289.448 3.015 50 0 CGAAHN c1ccc(-c2noc(CCCN3CCCCC3)n2)cc1 ZINC000058337149 369564382 /nfs/dbraw/zinc/56/43/82/369564382.db2.gz JNXVNMRRXAAEDO-UHFFFAOYSA-N 0 3 271.364 3.155 50 0 CGAAHN CC(C)[C@@H]1CCCN1Cc1csc(-c2cnn(C)c2)n1 ZINC000065497017 369679525 /nfs/dbraw/zinc/67/95/25/369679525.db2.gz FULHSDOQFKXVQU-AWEZNQCLSA-N 0 3 290.436 3.164 50 0 CGAAHN CCS[C@@H]1CC[C@H](N(C)Cc2ccncc2)C1 ZINC000076071623 369929186 /nfs/dbraw/zinc/92/91/86/369929186.db2.gz GIOBTQUXEFLFNA-UONOGXRCSA-N 0 3 250.411 3.188 50 0 CGAAHN Cc1ccc(CN[C@@H]2CCN(c3ncccc3Cl)C2)o1 ZINC000089656077 370044314 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ZINC000253537098 377696848 /nfs/dbraw/zinc/69/68/48/377696848.db2.gz XMZFWSOZERFXKY-AWEZNQCLSA-N 0 3 299.418 3.170 50 0 CGAAHN CN(C)CCNc1ncnc2scc(-c3ccccc3)c21 ZINC000000066501 391905387 /nfs/dbraw/zinc/90/53/87/391905387.db2.gz NYMHRAJDXAJFFX-UHFFFAOYSA-N 0 3 298.415 3.332 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](CN3CCCC3)O2)[C@H](C)C1 ZINC000012436495 391929925 /nfs/dbraw/zinc/92/99/25/391929925.db2.gz FTLAMGAOAHIHBM-JZAWBGDQSA-N 0 3 279.424 3.062 50 0 CGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccco1 ZINC000013152654 391931068 /nfs/dbraw/zinc/93/10/68/391931068.db2.gz UZXWVNVUOFWQOO-GOEBONIOSA-N 0 3 296.370 3.036 50 0 CGAAHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000096421679 392252604 /nfs/dbraw/zinc/25/26/04/392252604.db2.gz RISXDOIQQIWKJQ-ZWKOTPCHSA-N 0 3 294.398 3.034 50 0 CGAAHN CCc1ccc(CN2CCC[C@@H](Cn3ccnc3C)C2)nc1 ZINC000670459026 543156439 /nfs/dbraw/zinc/15/64/39/543156439.db2.gz FBVPBCCYMCERSJ-QGZVFWFLSA-N 0 3 298.434 3.061 50 0 CGAAHN C[C@@H](c1ccncc1)N(C)CCc1ccc2c(c1)CCO2 ZINC000091988730 165279684 /nfs/dbraw/zinc/27/96/84/165279684.db2.gz QGSZGZUWZUWIQZ-AWEZNQCLSA-N 0 3 282.387 3.252 50 0 CGAAHN Cc1ccc(CN2CCC(n3ccnc3)CC2)cc1C ZINC000092648801 165308789 /nfs/dbraw/zinc/30/87/89/165308789.db2.gz UYMXWMPEJZKFSR-UHFFFAOYSA-N 0 3 269.392 3.337 50 0 CGAAHN S=C(NCCN1CCCCC1)Nc1ccc(Cl)cc1 ZINC000004749574 170011499 /nfs/dbraw/zinc/01/14/99/170011499.db2.gz VAAWZADYYMWUSR-UHFFFAOYSA-N 0 3 297.855 3.112 50 0 CGAAHN CC[C@@H](C)NCc1cc(Br)ccc1OC ZINC000005907271 170153822 /nfs/dbraw/zinc/15/38/22/170153822.db2.gz DGWKDOTVDYDRSH-SECBINFHSA-N 0 3 272.186 3.346 50 0 CGAAHN COCCNCc1cccc(OCc2ccccc2F)c1 ZINC000006703977 170230666 /nfs/dbraw/zinc/23/06/66/170230666.db2.gz LXXSBKIOFZDKGK-UHFFFAOYSA-N 0 3 289.350 3.141 50 0 CGAAHN C[C@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000006742745 170238158 /nfs/dbraw/zinc/23/81/58/170238158.db2.gz VNKQZICVIXMGNS-ZDUSSCGKSA-N 0 3 269.344 3.309 50 0 CGAAHN O=C(NCCN1CCCCC1)c1ccc2ccccc2c1 ZINC000016579885 170702879 /nfs/dbraw/zinc/70/28/79/170702879.db2.gz KXTKSOARZRYVOU-UHFFFAOYSA-N 0 3 282.387 3.056 50 0 CGAAHN CCN1CCN(CCCCSc2ccccc2)CC1 ZINC000020390325 171178645 /nfs/dbraw/zinc/17/86/45/171178645.db2.gz WKSWMOULCOEZMU-UHFFFAOYSA-N 0 3 278.465 3.196 50 0 CGAAHN Fc1cccc(CN2c3ccccc3N3CCCN=C23)c1 ZINC000020890252 171278127 /nfs/dbraw/zinc/27/81/27/171278127.db2.gz XIPVASZKLUGJMK-UHFFFAOYSA-N 0 3 281.334 3.412 50 0 CGAAHN C[C@@H]1CCC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255502 173065907 /nfs/dbraw/zinc/06/59/07/173065907.db2.gz SEFXUGDSQDTBHK-BXUZGUMPSA-N 0 3 280.799 3.447 50 0 CGAAHN CCc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C ZINC000069699866 175848450 /nfs/dbraw/zinc/84/84/50/175848450.db2.gz SZXLHNSDDVDHFH-ZIAGYGMSSA-N 0 3 292.448 3.009 50 0 CGAAHN c1cc2ccc(-c3noc(CCN4CCCCC4)n3)cc2[nH]1 ZINC000072405230 176397279 /nfs/dbraw/zinc/39/72/79/176397279.db2.gz AIPCMROYJHFZPD-UHFFFAOYSA-N 0 3 296.374 3.246 50 0 CGAAHN COc1cccc(CNCc2cccc(N(C)C)c2)c1 ZINC000078552685 177353112 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CGAAHN CC(=O)c1ccc(OCCCN2CCC[C@@H](C)C2)cc1 ZINC000003972804 169926652 /nfs/dbraw/zinc/92/66/52/169926652.db2.gz UDOGRGCITVUWOQ-CQSZACIVSA-N 0 3 275.392 3.390 50 0 CGAAHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccncc1 ZINC000004749670 170011450 /nfs/dbraw/zinc/01/14/50/170011450.db2.gz IZRZVLGYXROWNE-UHFFFAOYSA-N 0 3 295.386 3.320 50 0 CGAAHN CC(C)Oc1cccc(OCCN2CCCCC2)c1 ZINC000004869037 170034298 /nfs/dbraw/zinc/03/42/98/170034298.db2.gz DZTLNJHQVYZQGM-UHFFFAOYSA-N 0 3 263.381 3.339 50 0 CGAAHN CCOC(=O)[C@@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC000004977925 170047964 /nfs/dbraw/zinc/04/79/64/170047964.db2.gz NYKDMPGOAZBWMG-OAHLLOKOSA-N 0 3 275.392 3.079 50 0 CGAAHN COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1OC ZINC000004989378 170049763 /nfs/dbraw/zinc/04/97/63/170049763.db2.gz VPYIBXONAYEZTD-CHWSQXEVSA-N 0 3 263.381 3.182 50 0 CGAAHN CN(C)CCSc1nc(-c2ccccc2)nc2c1CCC2 ZINC000005156876 170071821 /nfs/dbraw/zinc/07/18/21/170071821.db2.gz IQYRIKYSWUXORO-UHFFFAOYSA-N 0 3 299.443 3.286 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C)c1 ZINC000005968040 170164487 /nfs/dbraw/zinc/16/44/87/170164487.db2.gz PRYBYAYBIFXKDM-FUHWJXTLSA-N 0 3 299.414 3.394 50 0 CGAAHN CC(C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000006726446 170233290 /nfs/dbraw/zinc/23/32/90/170233290.db2.gz CCZNZAZCNDPKTP-UHFFFAOYSA-N 0 3 275.396 3.026 50 0 CGAAHN O[C@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1)NCC2 ZINC000006829134 170247442 /nfs/dbraw/zinc/24/74/42/170247442.db2.gz KUYBDOWEEWZIMG-ILXRZTDVSA-N 0 3 265.784 3.296 50 0 biogenic CGAAHN CC(C)(C)NCC(=O)Nc1cccc2ccccc21 ZINC000009484294 170378690 /nfs/dbraw/zinc/37/86/90/170378690.db2.gz SHRRZXPOIJFZDS-UHFFFAOYSA-N 0 3 256.349 3.166 50 0 CGAAHN Clc1cccc(Cl)c1CNCCN1CCCC1 ZINC000020126976 171012274 /nfs/dbraw/zinc/01/22/74/171012274.db2.gz VELUSPZHKKHKJU-UHFFFAOYSA-N 0 3 273.207 3.179 50 0 CGAAHN Cc1ccc(-n2nnnc2C2(NC(C)C)CCCCC2)cc1 ZINC000022436647 171387832 /nfs/dbraw/zinc/38/78/32/171387832.db2.gz HBFUSGNXERJYTG-UHFFFAOYSA-N 0 3 299.422 3.128 50 0 CGAAHN COc1ccc(Cl)cc1CN(C[C@H]1CCOC1)C1CC1 ZINC000040105886 174191372 /nfs/dbraw/zinc/19/13/72/174191372.db2.gz QVLACWMJNSIDJY-GFCCVEGCSA-N 0 3 295.810 3.350 50 0 CGAAHN COCCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000040161823 174196167 /nfs/dbraw/zinc/19/61/67/174196167.db2.gz WJGNXAASDMEOPJ-UHFFFAOYSA-N 0 3 273.351 3.474 50 0 CGAAHN CN(C)C[C@@H](CCCO[C@@H]1CCCCO1)c1ccccn1 ZINC000044124648 175143736 /nfs/dbraw/zinc/14/37/36/175143736.db2.gz YYCZUUUEUWNRIS-NVXWUHKLSA-N 0 3 292.423 3.050 50 0 CGAAHN C[C@H](NC(=O)C(C)(C)N)c1ccc(-c2ccccc2)cc1 ZINC000071419535 176160468 /nfs/dbraw/zinc/16/04/68/176160468.db2.gz WAIXKFNUBCYZEM-ZDUSSCGKSA-N 0 3 282.387 3.268 50 0 CGAAHN c1ccc2oc(NC3CCN(CC4CC4)CC3)nc2c1 ZINC000071811743 176268142 /nfs/dbraw/zinc/26/81/42/176268142.db2.gz JZMBBTPGMPGGHN-UHFFFAOYSA-N 0 3 271.364 3.114 50 0 CGAAHN CCOc1ccc(CN[C@H](C)c2c(C)nn(C)c2C)cc1 ZINC000078553265 177353361 /nfs/dbraw/zinc/35/33/61/177353361.db2.gz FYFJOSYTEZVPFL-GFCCVEGCSA-N 0 3 287.407 3.286 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccc(C)cc1Cl ZINC000009726761 260037242 /nfs/dbraw/zinc/03/72/42/260037242.db2.gz GAGOSHIGYZWSQL-UHFFFAOYSA-N 0 3 268.788 3.365 50 0 CGAAHN Cc1n[nH]cc1CNCc1ccccc1CC(C)C ZINC000527734010 270133168 /nfs/dbraw/zinc/13/31/68/270133168.db2.gz SCVJVHONHAKIDK-UHFFFAOYSA-N 0 3 257.381 3.206 50 0 CGAAHN COc1ccccc1N1CCN([C@H]2CC[C@H](C)C2)CC1 ZINC000000277013 274159035 /nfs/dbraw/zinc/15/90/35/274159035.db2.gz UIXAGJDENQATEF-GJZGRUSLSA-N 0 3 274.408 3.006 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](CN3CCCC3)O2)[C@@H](C)C1 ZINC000012436496 278509111 /nfs/dbraw/zinc/50/91/11/278509111.db2.gz FTLAMGAOAHIHBM-ZOFXXKQRSA-N 0 3 279.424 3.062 50 0 CGAAHN Cc1ncnc(-c2ccc([C@@H](C)N(C)C)cc2)c1C ZINC000097797431 279176574 /nfs/dbraw/zinc/17/65/74/279176574.db2.gz XPXGJLQLSXSPRB-CYBMUJFWSA-N 0 3 255.365 3.383 50 0 CGAAHN C[C@@H](N[C@H](C)[C@@H]1C[C@H]1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000527678910 288187641 /nfs/dbraw/zinc/18/76/41/288187641.db2.gz WPCNPZJBTKWPHN-OMNBBPDLSA-N 0 3 296.418 3.353 50 0 CGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccco1 ZINC000003181122 281099053 /nfs/dbraw/zinc/09/90/53/281099053.db2.gz UZXWVNVUOFWQOO-HOCLYGCPSA-N 0 3 296.370 3.036 50 0 CGAAHN O=C(c1ccccc1Cl)N1CCC[C@H]1CN1CCCC1 ZINC000058328806 304565217 /nfs/dbraw/zinc/56/52/17/304565217.db2.gz IBDVHBQDRHLBBU-ZDUSSCGKSA-N 0 3 292.810 3.040 50 0 CGAAHN Cn1nc(CN[C@@H]2CCCSC2)c2c1cccc2Cl ZINC000534637745 328334555 /nfs/dbraw/zinc/33/45/55/328334555.db2.gz MCHHGZHIUDRINX-SNVBAGLBSA-N 0 3 295.839 3.212 50 0 CGAAHN COc1cccc([C@@H]2CCN(Cc3ccncc3)C2)c1OC ZINC000097743214 533727871 /nfs/dbraw/zinc/72/78/71/533727871.db2.gz VDXSSQKZBZVWCW-OAHLLOKOSA-N 0 3 298.386 3.088 50 0 CGAAHN Cc1ccccc1N1CC[C@H](CNCc2nccs2)C1 ZINC000952969278 636775165 /nfs/dbraw/zinc/77/51/65/636775165.db2.gz IUYOWWLZYYQQNF-CQSZACIVSA-N 0 3 287.432 3.068 50 0 CGAAHN COc1ncc(CN2CCC[C@H](C(C)(C)C)CC2)cn1 ZINC001506409320 937989855 /nfs/dbraw/zinc/98/98/55/937989855.db2.gz WGKIPWMNCGYYSZ-AWEZNQCLSA-N 0 3 277.412 3.133 50 0 CGAAHN COCCN[C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000096492236 230382892 /nfs/dbraw/zinc/38/28/92/230382892.db2.gz FUXBILJIQAQPLB-ZDUSSCGKSA-N 0 3 256.349 3.046 50 0 CGAAHN Cc1ccsc1-c1nnc(SC[C@@H](C)N(C)C)o1 ZINC000095941670 185035793 /nfs/dbraw/zinc/03/57/93/185035793.db2.gz CMIWFKHQUSENKJ-SECBINFHSA-N 0 3 283.422 3.149 50 0 CGAAHN Cc1cc(NC(=O)[C@@H](N[C@H](C)C2CC2)c2ccccc2)no1 ZINC000095946728 185038143 /nfs/dbraw/zinc/03/81/43/185038143.db2.gz YQNVPTUHWQTLPX-WBMJQRKESA-N 0 3 299.374 3.051 50 0 CGAAHN COC[C@H](N[C@H](C)Cc1ccsc1)c1ccco1 ZINC000095968834 185048212 /nfs/dbraw/zinc/04/82/12/185048212.db2.gz GPSWWHXPYCQKRL-YPMHNXCESA-N 0 3 265.378 3.249 50 0 CGAAHN C[C@H](NC[C@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983772 185054444 /nfs/dbraw/zinc/05/44/44/185054444.db2.gz JSQPDEFUONEKJH-WFASDCNBSA-N 0 3 279.355 3.162 50 0 CGAAHN CC(=O)N1CC[C@@H](N[C@@H](c2ccc(C)o2)C2CCCC2)C1 ZINC000095986487 185056510 /nfs/dbraw/zinc/05/65/10/185056510.db2.gz CECVAFUPTLAMKU-NVXWUHKLSA-N 0 3 290.407 3.030 50 0 CGAAHN C[C@@H]1OCC[C@@H]1NCc1ccnc(SC(C)(C)C)c1 ZINC000095995904 185060755 /nfs/dbraw/zinc/06/07/55/185060755.db2.gz PTRKUSKIWZERIP-AAEUAGOBSA-N 0 3 280.437 3.239 50 0 CGAAHN CN(C)c1cccc(-c2ccc(CN3CCCC3)cn2)c1 ZINC000097743393 529786468 /nfs/dbraw/zinc/78/64/68/529786468.db2.gz DPQGDTGOBHVYLN-UHFFFAOYSA-N 0 3 281.403 3.410 50 0 CGAAHN COc1ccc(C[C@H](CN(C)C)C(=O)c2ccccc2)cc1 ZINC000096027123 345901630 /nfs/dbraw/zinc/90/16/30/345901630.db2.gz AQJULULEOVEGFR-QGZVFWFLSA-N 0 3 297.398 3.298 50 0 CGAAHN Cc1cc(N[C@@H]2CC[C@H](C)C2)cc(N2CCN(C)CC2)c1 ZINC000170608786 346195089 /nfs/dbraw/zinc/19/50/89/346195089.db2.gz QWLSSTXXUSLTKE-GOEBONIOSA-N 0 3 287.451 3.347 50 0 CGAAHN O=C(CN1CCC[C@H]1C1CCCC1)NCC1CCCCC1 ZINC000170643501 346196211 /nfs/dbraw/zinc/19/62/11/346196211.db2.gz PBHJNVJSCQHIMB-KRWDZBQOSA-N 0 3 292.467 3.338 50 0 CGAAHN C[C@H](N[C@H]1CCCC[C@H]1CO)c1nc2ccccc2o1 ZINC000253369766 346394447 /nfs/dbraw/zinc/39/44/47/346394447.db2.gz HYJRENBHCKGJLF-AVGNSLFASA-N 0 3 274.364 3.030 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@H]1CCCN(Cc2cccnc2)C1 ZINC000409421179 346605393 /nfs/dbraw/zinc/60/53/93/346605393.db2.gz WNQKWERUJSHIIT-KRWDZBQOSA-N 0 3 296.418 3.301 50 0 CGAAHN CC[C@H](N[C@@H](C)c1cccc(NC(C)=O)c1)[C@H]1CCCO1 ZINC000090858069 180046908 /nfs/dbraw/zinc/04/69/08/180046908.db2.gz AGBAYERCPNQLQL-AFAVFJNCSA-N 0 3 290.407 3.253 50 0 CGAAHN C[C@H]1CC(NCc2sccc2Cl)C[C@H](C)O1 ZINC000193199443 189637459 /nfs/dbraw/zinc/63/74/59/189637459.db2.gz JMVPNOZEBIXYQU-IUCAKERBSA-N 0 3 259.802 3.447 50 0 CGAAHN CC[C@@H](c1noc(CCN(CC)CC)n1)c1ccccc1 ZINC000000000678 368269642 /nfs/dbraw/zinc/26/96/42/368269642.db2.gz OLTAWOVKGWWERU-OAHLLOKOSA-N 0 3 287.407 3.496 50 0 in-man CGAAHN CN(C)CCOC(=O)c1sc2ccccc2c1Cl ZINC000000195505 368313194 /nfs/dbraw/zinc/31/31/94/368313194.db2.gz PADDSAMWWZFBND-UHFFFAOYSA-N 0 3 283.780 3.273 50 0 CGAAHN COc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000000252413 368325464 /nfs/dbraw/zinc/32/54/64/368325464.db2.gz ITPCPUZQSFRMJO-KRWDZBQOSA-N 0 3 278.355 3.412 50 0 biogenic CGAAHN CCOC(=O)c1ccc(CNCc2ccc(OC)cc2)cc1 ZINC000000259071 368326716 /nfs/dbraw/zinc/32/67/16/368326716.db2.gz XJOZTHJBECQNIE-UHFFFAOYSA-N 0 3 299.370 3.162 50 0 CGAAHN C[C@H](Cc1ccccc1[S@](=O)c1ccccc1)N(C)C ZINC000000347809 368346028 /nfs/dbraw/zinc/34/60/28/368346028.db2.gz FIQXYWPZJOQLQV-VLIAUNLRSA-N 0 3 287.428 3.346 50 0 CGAAHN CCCN1CCC(N(C(=O)c2ccccc2)C2CC2)CC1 ZINC000001741542 368436772 /nfs/dbraw/zinc/43/67/72/368436772.db2.gz XSJUOIHFJXXWOM-UHFFFAOYSA-N 0 3 286.419 3.166 50 0 CGAAHN CC(=O)c1ccccc1OCCCN1CCCCC1 ZINC000002846151 368481616 /nfs/dbraw/zinc/48/16/16/368481616.db2.gz DMCIANMTLSTYCD-UHFFFAOYSA-N 0 3 261.365 3.144 50 0 CGAAHN Cc1cccc(OC[C@H](O)CN[C@H](C)c2ccccc2C)c1 ZINC000003395557 368506237 /nfs/dbraw/zinc/50/62/37/368506237.db2.gz HZLNHHAVICFFEX-IAGOWNOFSA-N 0 3 299.414 3.394 50 0 CGAAHN COC(=O)C[C@H](N)c1ccc(F)c(Oc2ccccc2)c1 ZINC000004775486 368558314 /nfs/dbraw/zinc/55/83/14/368558314.db2.gz RYDWAJUCDLIGFW-AWEZNQCLSA-N 0 3 289.306 3.181 50 0 CGAAHN CC(=O)c1cccc(OCCCN2CCC[C@@H](C)C2)c1 ZINC000004870336 368558855 /nfs/dbraw/zinc/55/88/55/368558855.db2.gz BISMXCWBLKDMJP-CQSZACIVSA-N 0 3 275.392 3.390 50 0 CGAAHN CC(C)(C)OC(=O)NC[C@H]1CCN(Cc2ccccc2)C1 ZINC000004203039 368537124 /nfs/dbraw/zinc/53/71/24/368537124.db2.gz MHRKPCRXBAHJGS-OAHLLOKOSA-N 0 3 290.407 3.033 50 0 CGAAHN c1ccc(N2CCN([C@H]3CCc4ccccc4C3)CC2)cc1 ZINC000006667588 368569320 /nfs/dbraw/zinc/56/93/20/368569320.db2.gz HUEUWCHQWQLOHO-FQEVSTJZSA-N 0 3 292.426 3.366 50 0 CGAAHN CCOc1cc(CN2CCCC[C@H]2C)ccc1OC ZINC000016663062 368720186 /nfs/dbraw/zinc/72/01/86/368720186.db2.gz RTDCZUIPGZOYRU-CYBMUJFWSA-N 0 3 263.381 3.468 50 0 CGAAHN Cc1cccc(NC(=O)NCc2ccc(CN(C)C)cc2)c1 ZINC000014161790 368676024 /nfs/dbraw/zinc/67/60/24/368676024.db2.gz BURMBXPJHRUFMW-UHFFFAOYSA-N 0 3 297.402 3.378 50 0 CGAAHN COc1cccc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000019788378 368765665 /nfs/dbraw/zinc/76/56/65/368765665.db2.gz MIWUWBZSRBUWPP-UHFFFAOYSA-N 0 3 288.435 3.146 50 0 CGAAHN Cn1cc(CN2CCCC[C@@H]2CCc2cccs2)cn1 ZINC000019842222 368771890 /nfs/dbraw/zinc/77/18/90/368771890.db2.gz JCOYDMXAJOSYHJ-OAHLLOKOSA-N 0 3 289.448 3.469 50 0 CGAAHN Cc1ccc(CN2CCN(C3CCCC3)CC2)cc1 ZINC000019210271 368745916 /nfs/dbraw/zinc/74/59/16/368745916.db2.gz IUIXXOOAMJLMMO-UHFFFAOYSA-N 0 3 258.409 3.055 50 0 CGAAHN CCc1ccc(CN2CCN([C@@H](C)CC)CC2)cc1 ZINC000019360040 368749768 /nfs/dbraw/zinc/74/97/68/368749768.db2.gz FPBUCEOKBFTNMC-HNNXBMFYSA-N 0 3 260.425 3.165 50 0 CGAAHN CCN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019536768 368756971 /nfs/dbraw/zinc/75/69/71/368756971.db2.gz XBLKBMBUPONWOS-UHFFFAOYSA-N 0 3 280.415 3.491 50 0 CGAAHN COc1ccccc1CN[C@@H]1CCCN[C@@H]1c1ccccc1 ZINC000022933029 368813996 /nfs/dbraw/zinc/81/39/96/368813996.db2.gz DTQNEFOKTXXQKV-IEBWSBKVSA-N 0 3 296.414 3.278 50 0 in-vitro CGAAHN C[C@@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000023652688 368823476 /nfs/dbraw/zinc/82/34/76/368823476.db2.gz AUAAKIIURLFASQ-HNNXBMFYSA-N 0 3 282.387 3.275 50 0 CGAAHN CCC(CC)C(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC000027664240 368873886 /nfs/dbraw/zinc/87/38/86/368873886.db2.gz VUTCCVAQFVJLHL-AWEZNQCLSA-N 0 3 294.464 3.437 50 0 CGAAHN COc1ccc(N)c(C[C@H]2c3ccccc3CCN2C)c1 ZINC000031829666 368919660 /nfs/dbraw/zinc/91/96/60/368919660.db2.gz JXUZONMCSRNDCO-SFHVURJKSA-N 0 3 282.387 3.049 50 0 CGAAHN Cc1ccc(C)c([C@H](C)NCc2ccc(C(N)=O)cc2)c1 ZINC000032850961 368948223 /nfs/dbraw/zinc/94/82/23/368948223.db2.gz BFHVHWIWPJTAGT-AWEZNQCLSA-N 0 3 282.387 3.253 50 0 CGAAHN CCC[C@@](C)(N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037621673 369093495 /nfs/dbraw/zinc/09/34/95/369093495.db2.gz DEPBSPZANBXPOQ-IINYFYTJSA-N 0 3 268.426 3.060 50 0 CGAAHN c1cc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)co1 ZINC000039393352 369150244 /nfs/dbraw/zinc/15/02/44/369150244.db2.gz AEXARQCLUBEQFW-SFHVURJKSA-N 0 3 296.414 3.001 50 0 CGAAHN c1cncc(-c2noc(CN3CCC[C@@H]4CCCC[C@@H]43)n2)c1 ZINC000054610081 369504827 /nfs/dbraw/zinc/50/48/27/369504827.db2.gz KUIZPLFGTOOLPY-ZFWWWQNUSA-N 0 3 298.390 3.286 50 0 CGAAHN CCCOc1cccc(CNCCOc2ccccn2)c1 ZINC000057353356 369536170 /nfs/dbraw/zinc/53/61/70/369536170.db2.gz WEOCJWALTPOFNX-UHFFFAOYSA-N 0 3 286.375 3.039 50 0 CGAAHN C[C@H](CNC(=O)c1ccc2ccccc2c1)N1CCCCC1 ZINC000055932676 369522772 /nfs/dbraw/zinc/52/27/72/369522772.db2.gz UCNAVXKOERNQTL-OAHLLOKOSA-N 0 3 296.414 3.444 50 0 CGAAHN CC[C@H]1CCCCN1Cc1cccc2c1OCCO2 ZINC000060100365 369584455 /nfs/dbraw/zinc/58/44/55/369584455.db2.gz SEWDXKOSHKJYDO-AWEZNQCLSA-N 0 3 261.365 3.222 50 0 CGAAHN CSC(C)(C)C[C@@H](C)NCc1csc(C)n1 ZINC000065384237 369671059 /nfs/dbraw/zinc/67/10/59/369671059.db2.gz HSXMUFVZUTWRHM-SECBINFHSA-N 0 3 258.456 3.461 50 0 CGAAHN Cc1cc(C)c(CN2CCN(c3ccncc3)CC2)cc1C ZINC000065399260 369673929 /nfs/dbraw/zinc/67/39/29/369673929.db2.gz RZDPRGKPPKFZRX-UHFFFAOYSA-N 0 3 295.430 3.329 50 0 CGAAHN Cc1cc(CN2CCC[C@@H](c3cc[nH]n3)C2)cc(C)c1O ZINC000067871684 369734085 /nfs/dbraw/zinc/73/40/85/369734085.db2.gz SCJVGSXGJNNLPN-OAHLLOKOSA-N 0 3 285.391 3.112 50 0 CGAAHN CSc1ccc(C(=O)Nc2ccc(CN(C)C)cc2)o1 ZINC000078998667 369958512 /nfs/dbraw/zinc/95/85/12/369958512.db2.gz BIXLQTYXGANVMR-UHFFFAOYSA-N 0 3 290.388 3.315 50 0 CGAAHN CN(CCn1ccnc1)Cc1ccc(C(F)(F)F)cc1 ZINC000089346534 370041114 /nfs/dbraw/zinc/04/11/14/370041114.db2.gz OUHJQDPRAVEZLC-UHFFFAOYSA-N 0 3 283.297 3.034 50 0 CGAAHN COc1ccccc1CC(C)(C)N[C@H](C)c1cnccn1 ZINC000097037716 370215762 /nfs/dbraw/zinc/21/57/62/370215762.db2.gz YOMDUAMGZIBZKZ-CYBMUJFWSA-N 0 3 285.391 3.157 50 0 CGAAHN CC(C)c1nnc(CN[C@@H](C)[C@H](C)c2ccccc2)n1C ZINC000097110033 370226099 /nfs/dbraw/zinc/22/60/99/370226099.db2.gz DYCOXSAEFQEPIM-KBPBESRZSA-N 0 3 286.423 3.220 50 0 CGAAHN CCc1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)o1 ZINC000097139215 370230728 /nfs/dbraw/zinc/23/07/28/370230728.db2.gz JPZUCNJLNATABP-AWEZNQCLSA-N 0 3 287.407 3.030 50 0 CGAAHN Cc1nccn1CCCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000097229946 370235768 /nfs/dbraw/zinc/23/57/68/370235768.db2.gz JGJFVNHVMBJDEL-MAUKXSAKSA-N 0 3 299.418 3.044 50 0 CGAAHN CC[C@@H](NCc1ccnc(C)c1)c1ccc2c(c1)OCCO2 ZINC000453295692 374396614 /nfs/dbraw/zinc/39/66/14/374396614.db2.gz RXSNUZPXIIXRGA-MRXNPFEDSA-N 0 3 298.386 3.402 50 0 CGAAHN COc1ccc([C@H](C)NCc2ccc(F)c(CO)c2)cc1 ZINC000090779506 541963933 /nfs/dbraw/zinc/96/39/33/541963933.db2.gz CVVUPWNUKFYQPM-LBPRGKRZSA-N 0 3 289.350 3.177 50 0 CGAAHN Cc1cnc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000334525392 374820339 /nfs/dbraw/zinc/82/03/39/374820339.db2.gz AEAOFDOKZBZDBW-INIZCTEOSA-N 0 3 267.376 3.165 50 0 CGAAHN Cc1nccn1C[C@H]1CCCN1c1ccnc2ccccc21 ZINC000192740296 375785067 /nfs/dbraw/zinc/78/50/67/375785067.db2.gz SWXLIANDUVVVFA-OAHLLOKOSA-N 0 3 292.386 3.409 50 0 CGAAHN CN(C)c1ccc(CN2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000215408099 376149109 /nfs/dbraw/zinc/14/91/09/376149109.db2.gz LNXSTAZHGVZVIQ-INIZCTEOSA-N 0 3 299.393 3.276 50 0 CGAAHN Cc1ccc(CNCc2ccccc2CO)cc1Cl ZINC000225521752 376314695 /nfs/dbraw/zinc/31/46/95/376314695.db2.gz INSQHRYTLRSWSE-UHFFFAOYSA-N 0 3 275.779 3.431 50 0 CGAAHN COc1cccc(CN2CCC3(CC[C@H]3OC)CC2)c1 ZINC000257186045 377796698 /nfs/dbraw/zinc/79/66/98/377796698.db2.gz YFORKFLSQFIODF-MRXNPFEDSA-N 0 3 275.392 3.086 50 0 CGAAHN C[C@H](N[C@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778416 379514461 /nfs/dbraw/zinc/51/44/61/379514461.db2.gz LCOSCHKTTNYCRL-WPRPVWTQSA-N 0 3 287.226 3.000 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@H](NCc2cccnc2)C1 ZINC000071857568 392191707 /nfs/dbraw/zinc/19/17/07/392191707.db2.gz LREUFWQPTRHVSA-QAPCUYQASA-N 0 3 281.403 3.007 50 0 CGAAHN COc1ccc(F)c(CN[C@](C)(CO)C2CCCCC2)c1 ZINC000585085898 542768557 /nfs/dbraw/zinc/76/85/57/542768557.db2.gz MPUYLPRHQYTZSI-QGZVFWFLSA-N 0 3 295.398 3.255 50 0 CGAAHN CN(Cc1cc2cc(F)ccc2[nH]1)C[C@H]1CCCCO1 ZINC000670455857 543155958 /nfs/dbraw/zinc/15/59/58/543155958.db2.gz NUVVYCURFCOBOO-OAHLLOKOSA-N 0 3 276.355 3.308 50 0 CGAAHN CC/C(C)=C/CC[N@@H+]1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000670457960 543156278 /nfs/dbraw/zinc/15/62/78/543156278.db2.gz GNYIJXMBAGOOMV-BLXFFLACSA-N 0 3 275.396 3.108 50 0 CGAAHN CC/C(C)=C/CC[N@H+]1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000670457960 543156280 /nfs/dbraw/zinc/15/62/80/543156280.db2.gz GNYIJXMBAGOOMV-BLXFFLACSA-N 0 3 275.396 3.108 50 0 CGAAHN CCCCCOc1ccc([C@@H](N)CC(=O)OCC)cc1 ZINC000004237692 169946943 /nfs/dbraw/zinc/94/69/43/169946943.db2.gz RYEWPPLPDBQYHE-HNNXBMFYSA-N 0 3 279.380 3.209 50 0 CGAAHN CN(C)CCOC(=O)Nc1ccc(Cl)cc1Cl ZINC000004794882 170018464 /nfs/dbraw/zinc/01/84/64/170018464.db2.gz OMDIGJMWTXLDGB-UHFFFAOYSA-N 0 3 277.151 3.104 50 0 CGAAHN Cc1ccc(C)c(CN(CCO)Cc2ccccc2)c1 ZINC000004988788 170049262 /nfs/dbraw/zinc/04/92/62/170049262.db2.gz ZEKWMEGSYHTUST-UHFFFAOYSA-N 0 3 269.388 3.298 50 0 CGAAHN COc1ccc2ccccc2c1CN1CCC[C@H](CO)C1 ZINC000005729831 170134488 /nfs/dbraw/zinc/13/44/88/170134488.db2.gz CERNYGYBEWSHHI-AWEZNQCLSA-N 0 3 285.387 3.053 50 0 CGAAHN CSc1ccc(CN(C)CCc2ccccn2)cc1 ZINC000006667436 170224242 /nfs/dbraw/zinc/22/42/42/170224242.db2.gz IACRQLBSMMHLDH-UHFFFAOYSA-N 0 3 272.417 3.478 50 0 CGAAHN Cc1ccc([C@@H](CNC(=O)c2ccccc2C)N(C)C)cc1 ZINC000010017818 170395236 /nfs/dbraw/zinc/39/52/36/170395236.db2.gz XKWVEWGNKMHXEM-GOSISDBHSA-N 0 3 296.414 3.336 50 0 CGAAHN COc1cccc(C[C@H]2CN(C3CCCCC3)CCO2)c1 ZINC000020774127 171272092 /nfs/dbraw/zinc/27/20/92/171272092.db2.gz HLSIBMGKWZNRAA-SFHVURJKSA-N 0 3 289.419 3.271 50 0 CGAAHN CC(C)(C)NCc1cc(Br)ccc1F ZINC000022149216 171357912 /nfs/dbraw/zinc/35/79/12/171357912.db2.gz XRLWPFDRVNNGIH-UHFFFAOYSA-N 0 3 260.150 3.476 50 0 CGAAHN CCOC(=O)[C@@H](c1ccccc1C)N1CCCCC1 ZINC000044124479 175143729 /nfs/dbraw/zinc/14/37/29/175143729.db2.gz VBVKSFPTKAEQMI-OAHLLOKOSA-N 0 3 261.365 3.085 50 0 CGAAHN NC(=O)c1ccc(CN2CCC[C@@H]2c2ccsc2)cc1 ZINC000046089448 175393153 /nfs/dbraw/zinc/39/31/53/175393153.db2.gz DNCMDEZRJNZDNC-OAHLLOKOSA-N 0 3 286.400 3.184 50 0 CGAAHN COc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2C)c1 ZINC000071878786 176287020 /nfs/dbraw/zinc/28/70/20/176287020.db2.gz FIAAUUXCBAIBIJ-KRWDZBQOSA-N 0 3 299.418 3.383 50 0 CGAAHN C[C@@H](NCc1cc(F)cc2cccnc21)[C@@H](C)n1cccn1 ZINC000071882123 176288485 /nfs/dbraw/zinc/28/84/85/176288485.db2.gz AOBRIIQFHBLWKP-CHWSQXEVSA-N 0 3 298.365 3.310 50 0 CGAAHN C[C@H](NCc1cc(F)cc2cccnc21)[C@H](C)n1cccn1 ZINC000071882124 176288748 /nfs/dbraw/zinc/28/87/48/176288748.db2.gz AOBRIIQFHBLWKP-STQMWFEESA-N 0 3 298.365 3.310 50 0 CGAAHN Cc1cccn2c(=O)cc(CN(C)CC3CCCCC3)nc12 ZINC000013002870 260067308 /nfs/dbraw/zinc/06/73/08/260067308.db2.gz FXLMLYFGYUGNCQ-UHFFFAOYSA-N 0 3 299.418 3.015 50 0 CGAAHN CCN(CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O ZINC000008717107 276109712 /nfs/dbraw/zinc/10/97/12/276109712.db2.gz GBSCVROOOWRRTP-UHFFFAOYSA-N 0 3 262.328 3.230 50 0 CGAAHN C[C@H](CNCc1cncnc1)c1ccc(C(F)(F)F)cc1 ZINC000191155606 279347639 /nfs/dbraw/zinc/34/76/39/279347639.db2.gz FQXQJMOHKQHZNM-LLVKDONJSA-N 0 3 295.308 3.389 50 0 CGAAHN CSC[C@H](CCO)N[C@@H](C)c1ccc(Cl)cc1 ZINC000096478197 533790319 /nfs/dbraw/zinc/79/03/19/533790319.db2.gz VSDRMNIVGJBVCO-GWCFXTLKSA-N 0 3 273.829 3.105 50 0 CGAAHN CN(C)CCNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000019872469 521789388 /nfs/dbraw/zinc/78/93/88/521789388.db2.gz CZVIXQPXXMLTCE-UHFFFAOYSA-N 0 3 278.783 3.251 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@@H](C)c3ccncc3)C2)n[nH]1 ZINC000084110836 567031311 /nfs/dbraw/zinc/03/13/11/567031311.db2.gz UHYRDCILNLILQG-DZGCQCFKSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@@H](C)c3ccncc3)C2)[nH]n1 ZINC000084110836 567031322 /nfs/dbraw/zinc/03/13/22/567031322.db2.gz UHYRDCILNLILQG-DZGCQCFKSA-N 0 3 270.380 3.054 50 0 CGAAHN C[C@@H](N[C@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982497 629721031 /nfs/dbraw/zinc/72/10/31/629721031.db2.gz PDSUKOBMJJSWLS-CZUORRHYSA-N 0 3 284.407 3.397 50 0 CGAAHN C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984673 629721178 /nfs/dbraw/zinc/72/11/78/629721178.db2.gz YNYIZDSUTPASDS-OLZOCXBDSA-N 0 3 291.420 3.224 50 0 CGAAHN COc1cc(CN[C@@H]2CCCc3c(OC)cccc32)ccn1 ZINC000194844026 640556905 /nfs/dbraw/zinc/55/69/05/640556905.db2.gz BYUAHVMGMPJARU-MRXNPFEDSA-N 0 3 298.386 3.266 50 0 CGAAHN CC[C@@H]1CN(Cc2ccc(Cl)o2)CCN1C(C)C ZINC000952868233 800684722 /nfs/dbraw/zinc/68/47/22/800684722.db2.gz GPFWZANYODOAIQ-GFCCVEGCSA-N 0 3 270.804 3.238 50 0 CGAAHN COc1ccc(F)cc1-c1ccc(-c2c[nH]c(N)n2)cc1 ZINC001529127004 938071254 /nfs/dbraw/zinc/07/12/54/938071254.db2.gz WPVNKJMGZPBFHV-UHFFFAOYSA-N 0 3 283.306 3.474 50 0 CGAAHN Cc1cc(C)cc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000005578630 230369668 /nfs/dbraw/zinc/36/96/68/230369668.db2.gz ZGBITCLDOGNTLC-WMZOPIPTSA-N 0 3 299.414 3.394 50 0 CGAAHN O=C(OC1CCN(Cc2ccsc2)CC1)c1ccco1 ZINC000096442741 230373487 /nfs/dbraw/zinc/37/34/87/230373487.db2.gz NDWAJTMPYSBQND-UHFFFAOYSA-N 0 3 291.372 3.163 50 0 CGAAHN CN(C)CCOc1ccccc1-c1ccc2c(c1)OCCO2 ZINC000426415448 230418021 /nfs/dbraw/zinc/41/80/21/230418021.db2.gz PFIRXSJAQUKLOP-UHFFFAOYSA-N 0 3 299.370 3.065 50 0 CGAAHN c1ccc2c(c1)C[C@@H](CN1CC(c3cccnc3)C1)CCO2 ZINC000095523765 185003365 /nfs/dbraw/zinc/00/33/65/185003365.db2.gz NEOSKGUQXMQHJT-HNNXBMFYSA-N 0 3 294.398 3.122 50 0 CGAAHN COc1ccc(CN2CC[C@H](c3ccccc3)C2)nc1 ZINC000095986410 185056446 /nfs/dbraw/zinc/05/64/46/185056446.db2.gz PHYWEKZWSGHWCD-HNNXBMFYSA-N 0 3 268.360 3.080 50 0 CGAAHN CCn1c(C)cc(C(=O)Nc2ccc3c(c2)CNCC3)c1C ZINC000097019661 185153132 /nfs/dbraw/zinc/15/31/32/185153132.db2.gz BPTCJPLZAKBZDK-UHFFFAOYSA-N 0 3 297.402 3.023 50 0 CGAAHN O[C@@H](CN[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000097033250 185156163 /nfs/dbraw/zinc/15/61/63/185156163.db2.gz AAJGXXSNWOEAMZ-GJZGRUSLSA-N 0 3 275.323 3.119 50 0 CGAAHN CN(CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000007786618 529838941 /nfs/dbraw/zinc/83/89/41/529838941.db2.gz SMZTVJCRKAMXCV-UHFFFAOYSA-N 0 3 264.344 3.029 50 0 CGAAHN Cc1cccc(OCCCCCN2CCN(C)CC2)c1C ZINC000034852518 344941331 /nfs/dbraw/zinc/94/13/31/344941331.db2.gz ZKPMRDKYJURGPW-UHFFFAOYSA-N 0 3 290.451 3.100 50 0 CGAAHN COC(=O)C1(CNCc2ccc(Cl)s2)CCCC1 ZINC000079104029 345631003 /nfs/dbraw/zinc/63/10/03/345631003.db2.gz OCDYDTXZLHZSGM-UHFFFAOYSA-N 0 3 287.812 3.225 50 0 CGAAHN Cc1nnc(CNC(C2CCCC2)C2CCCC2)o1 ZINC000097373676 345907995 /nfs/dbraw/zinc/90/79/95/345907995.db2.gz KXPDMXOUDMHSQK-UHFFFAOYSA-N 0 3 263.385 3.217 50 0 CGAAHN CCN(C(=O)c1oc2ccccc2c1C)[C@H](C)CN(C)C ZINC000170608622 346194801 /nfs/dbraw/zinc/19/48/01/346194801.db2.gz XWABFUYCWROBHA-GFCCVEGCSA-N 0 3 288.391 3.153 50 0 CGAAHN c1c2ccccc2oc1CNC1CSCCSC1 ZINC000584885509 346721372 /nfs/dbraw/zinc/72/13/72/346721372.db2.gz LVGIMIJUBGTALE-UHFFFAOYSA-N 0 3 279.430 3.371 50 0 CGAAHN CC(C)=CC[C@]1(CO)CCCN(Cc2ccccn2)C1 ZINC000091624728 180209514 /nfs/dbraw/zinc/20/95/14/180209514.db2.gz JHNNHEFGIXHXSK-QGZVFWFLSA-N 0 3 274.408 3.012 50 0 CGAAHN CCc1ccc(CN2CCC[C@@](CO)(CC3CC3)C2)nc1 ZINC000091707924 180231070 /nfs/dbraw/zinc/23/10/70/180231070.db2.gz SGTKQPTXLJNCPC-GOSISDBHSA-N 0 3 288.435 3.019 50 0 CGAAHN CN(C)CCOCCSc1ccc(Cl)cc1 ZINC000002823572 368480395 /nfs/dbraw/zinc/48/03/95/368480395.db2.gz GLTFOWODAVBTIS-UHFFFAOYSA-N 0 3 259.802 3.010 50 0 CGAAHN Cc1c([O-])ccc2c(C[NH+]3CCCCCC3)cc(=O)oc12 ZINC000004340575 368543401 /nfs/dbraw/zinc/54/34/01/368543401.db2.gz URCBFENYYVMZQO-UHFFFAOYSA-N 0 3 287.359 3.183 50 0 biogenic CGAAHN c1cc(-c2ccccc2)oc1CNC[C@H]1CCCO1 ZINC000004512842 368548744 /nfs/dbraw/zinc/54/87/44/368548744.db2.gz XYNZZYITZSKDFE-CQSZACIVSA-N 0 3 257.333 3.215 50 0 CGAAHN CC(C)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010333576 368580025 /nfs/dbraw/zinc/58/00/25/368580025.db2.gz IXUZJLFFTAIYBI-UHFFFAOYSA-N 0 3 274.408 3.058 50 0 CGAAHN O=C(Nc1cccc(Cl)c1)NC1CCN(C2CC2)CC1 ZINC000010464457 368582031 /nfs/dbraw/zinc/58/20/31/368582031.db2.gz KXTNXWJOTGSLNB-UHFFFAOYSA-N 0 3 293.798 3.088 50 0 CGAAHN NC(=O)c1ccc(CN(Cc2ccc(F)cc2)C2CC2)cc1 ZINC000012902096 368633130 /nfs/dbraw/zinc/63/31/30/368633130.db2.gz XEIXYFTXUWFASP-UHFFFAOYSA-N 0 3 298.361 3.089 50 0 CGAAHN CCN1CCC(NC(=O)c2cccc3ccccc32)CC1 ZINC000016604404 368717272 /nfs/dbraw/zinc/71/72/72/368717272.db2.gz MQIRGOLTOAJGHO-UHFFFAOYSA-N 0 3 282.387 3.054 50 0 CGAAHN CC(C)CCOc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000019737904 368763122 /nfs/dbraw/zinc/76/31/22/368763122.db2.gz GFZGMVKBJPALNA-QGZVFWFLSA-N 0 3 277.408 3.380 50 0 CGAAHN CCCCOc1ccccc1CNC[C@H]1CCCO1 ZINC000019737900 368763316 /nfs/dbraw/zinc/76/33/16/368763316.db2.gz BYRLNKSVOHOAFW-OAHLLOKOSA-N 0 3 263.381 3.134 50 0 CGAAHN Clc1cccc(Cl)c1CNCCCn1ccnc1 ZINC000034778557 368978344 /nfs/dbraw/zinc/97/83/44/368978344.db2.gz DFFBDKPLZXZHQZ-UHFFFAOYSA-N 0 3 284.190 3.370 50 0 CGAAHN Cc1nc([C@@H](C)NC2CCN(C3CC3)CC2)c(C)s1 ZINC000037140815 369066793 /nfs/dbraw/zinc/06/67/93/369066793.db2.gz WSIYSVCGLVBEAI-SNVBAGLBSA-N 0 3 279.453 3.037 50 0 CGAAHN CC(C)(C)c1ccc(OC2CNC2)c(Br)c1 ZINC000042769582 369230950 /nfs/dbraw/zinc/23/09/50/369230950.db2.gz VNKHGWVEQKDQTD-UHFFFAOYSA-N 0 3 284.197 3.097 50 0 CGAAHN c1ccc(CC[C@H]2CN(C3CCCC3)CCO2)cc1 ZINC000055134240 369511786 /nfs/dbraw/zinc/51/17/86/369511786.db2.gz DFHQZLAGYSCOTH-KRWDZBQOSA-N 0 3 259.393 3.263 50 0 CGAAHN COc1ccccc1/C=C/CN1CCN(C(C)C)[C@@H](C)C1 ZINC000065506335 369681216 /nfs/dbraw/zinc/68/12/16/369681216.db2.gz XFIBKKIWHFZMPS-DYLHUKMJSA-N 0 3 288.435 3.123 50 0 CGAAHN CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@H](c2ccccc2)C1 ZINC000069737724 369769948 /nfs/dbraw/zinc/76/99/48/369769948.db2.gz UVVCEZALBQSUGV-ZBFHGGJFSA-N 0 3 288.435 3.169 50 0 CGAAHN Cc1nc(CN)cc(NC[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000067713106 369725627 /nfs/dbraw/zinc/72/56/27/369725627.db2.gz YJSXIYYALMXNBO-SFHVURJKSA-N 0 3 296.418 3.024 50 0 CGAAHN Cc1cnn(CCNCc2cnc(-c3ccccc3)s2)c1 ZINC000069901570 369775137 /nfs/dbraw/zinc/77/51/37/369775137.db2.gz CAYSAMINUIGHTC-UHFFFAOYSA-N 0 3 298.415 3.105 50 0 CGAAHN Cn1ccnc1C[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000090004134 370054122 /nfs/dbraw/zinc/05/41/22/370054122.db2.gz PWWYTHCXXKBHQX-HNNXBMFYSA-N 0 3 287.382 3.014 50 0 CGAAHN CC[C@H](COC)N[C@H](C)c1nc2ccccc2n1CC ZINC000090118320 370055511 /nfs/dbraw/zinc/05/55/11/370055511.db2.gz ZHNJWFJVSXPUJW-CHWSQXEVSA-N 0 3 275.396 3.132 50 0 CGAAHN CCCC(=O)N[C@@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000092708692 370099913 /nfs/dbraw/zinc/09/99/13/370099913.db2.gz GPSZXJLRENHGHT-OAHLLOKOSA-N 0 3 299.418 3.049 50 0 CGAAHN C[C@@H](CC(=O)N1CCCCCC1)NCc1ccsc1 ZINC000095420294 370188807 /nfs/dbraw/zinc/18/88/07/370188807.db2.gz MEGXASJFKMQNFN-ZDUSSCGKSA-N 0 3 280.437 3.019 50 0 CGAAHN Cc1nc(C[C@H]2CCCN(C/C=C\c3ccccc3)C2)no1 ZINC000098052714 370260489 /nfs/dbraw/zinc/26/04/89/370260489.db2.gz QFWLICKWOVASDL-VWTAQGJOSA-N 0 3 297.402 3.346 50 0 CGAAHN Cc1csc([C@H]2CCCN(CCc3ccccn3)C2)n1 ZINC000102949848 370315690 /nfs/dbraw/zinc/31/56/90/370315690.db2.gz PWNZBMIMOBSIMV-AWEZNQCLSA-N 0 3 287.432 3.269 50 0 CGAAHN Cn1nccc1CN1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000130344636 371026451 /nfs/dbraw/zinc/02/64/51/371026451.db2.gz MPLYSRZPFSKRFV-MRXNPFEDSA-N 0 3 269.392 3.046 50 0 CGAAHN CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccco2)CC1 ZINC000133513217 371257987 /nfs/dbraw/zinc/25/79/87/371257987.db2.gz QACKVNBOTHNPBW-CYBMUJFWSA-N 0 3 294.395 3.159 50 0 CGAAHN c1cc(-c2ccc(OCCN3CCCC3)cc2)ccn1 ZINC000426707393 372169381 /nfs/dbraw/zinc/16/93/81/372169381.db2.gz JKJCCYSWDCKDIO-UHFFFAOYSA-N 0 3 268.360 3.223 50 0 CGAAHN CCc1cc(Cl)ccc1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000299755100 373610354 /nfs/dbraw/zinc/61/03/54/373610354.db2.gz BOUWFDVGOZCJDK-CYBMUJFWSA-N 0 3 295.814 3.070 50 0 CGAAHN C[C@H](NC(=O)c1cccc(CN(C)C)c1)C1=CCCCC1 ZINC000299795380 373613745 /nfs/dbraw/zinc/61/37/45/373613745.db2.gz KSQXNFMGWZSRCU-AWEZNQCLSA-N 0 3 286.419 3.367 50 0 CGAAHN c1cc2c(o1)CCC[C@H]2NCc1c[nH]c2ncccc12 ZINC000091016313 541965503 /nfs/dbraw/zinc/96/55/03/541965503.db2.gz UHQBQWBQKKWCNC-CQSZACIVSA-N 0 3 267.332 3.323 50 0 CGAAHN Cc1ncc(CN2CC[C@H](c3cccc(Cl)c3)C2)[nH]1 ZINC000215136852 376145962 /nfs/dbraw/zinc/14/59/62/376145962.db2.gz BTEIRODIUARPEE-ZDUSSCGKSA-N 0 3 275.783 3.361 50 0 CGAAHN COc1c(F)cccc1CN(C)[C@@H]1CCOC(C)(C)C1 ZINC000215933905 376155419 /nfs/dbraw/zinc/15/54/19/376155419.db2.gz NOAPPVQGVIBPFD-CYBMUJFWSA-N 0 3 281.371 3.224 50 0 CGAAHN CS[C@H](C)CCN(Cc1ccncc1)C1CC1 ZINC000216238900 376161825 /nfs/dbraw/zinc/16/18/25/376161825.db2.gz CZVCPJUZPBVKEX-GFCCVEGCSA-N 0 3 250.411 3.188 50 0 CGAAHN Cc1cccc([C@H]2CCN(C[C@@H](O)CC(F)(F)F)C2)c1 ZINC000225548004 376317062 /nfs/dbraw/zinc/31/70/62/376317062.db2.gz KRGRTWXJMAWMNM-KBPBESRZSA-N 0 3 287.325 3.098 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2ccncc2)C1 ZINC000229315928 376463175 /nfs/dbraw/zinc/46/31/75/376463175.db2.gz CYMFWTIYFNNGRB-CRAIPNDOSA-N 0 3 281.403 3.007 50 0 CGAAHN CCc1ccc(CNC(=O)c2cccc(CN(C)C)c2)cc1 ZINC000241961275 376780560 /nfs/dbraw/zinc/78/05/60/376780560.db2.gz UQXIPTJIYIXYIV-UHFFFAOYSA-N 0 3 296.414 3.241 50 0 CGAAHN CC[C@@H](c1ccc(F)cc1)N1CCC(n2cncn2)CC1 ZINC000096414845 392251344 /nfs/dbraw/zinc/25/13/44/392251344.db2.gz LXXMJTLZPILGHJ-INIZCTEOSA-N 0 3 288.370 3.205 50 0 CGAAHN Cc1cccc([C@H]2CCCN(c3cc(C)nc(N)n3)C2)c1 ZINC000091493531 135071044 /nfs/dbraw/zinc/07/10/44/135071044.db2.gz LDUVDEMRRBYURX-HNNXBMFYSA-N 0 3 282.391 3.060 50 0 CGAAHN Cc1cccc2nc(CN(C)CC[C@H]3CC3(F)F)[nH]c21 ZINC000670440213 543154155 /nfs/dbraw/zinc/15/41/55/543154155.db2.gz FRLLJVWSUYMXBD-NSHDSACASA-N 0 3 279.334 3.348 50 0 CGAAHN Cc1nccn1CC[C@@H](C)N1CC(Oc2cccc(C)c2)C1 ZINC000670471855 543156862 /nfs/dbraw/zinc/15/68/62/543156862.db2.gz SMHHDMOJFDTKKP-OAHLLOKOSA-N 0 3 299.418 3.042 50 0 CGAAHN CCOC(=O)[C@H]1CCCN(Cc2cc(C)ccc2C)C1 ZINC000004977930 170048340 /nfs/dbraw/zinc/04/83/40/170048340.db2.gz NYKDMPGOAZBWMG-HNNXBMFYSA-N 0 3 275.392 3.079 50 0 CGAAHN COc1ccc(CN(C)C2CCCCC2)c(OC)c1OC ZINC000004987294 170049402 /nfs/dbraw/zinc/04/94/02/170049402.db2.gz DIQDZWHXIKAZPG-UHFFFAOYSA-N 0 3 293.407 3.477 50 0 CGAAHN O[C@@H]1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000004986628 170049680 /nfs/dbraw/zinc/04/96/80/170049680.db2.gz UTOJXLPIFGHWPZ-QGZVFWFLSA-N 0 3 279.383 3.215 50 0 CGAAHN O=c1oc2ccccc2n1CN1CCC[C@@H]2CCCC[C@@H]21 ZINC000007142987 170268620 /nfs/dbraw/zinc/26/86/20/170268620.db2.gz CKVQWMDUDKOPKL-KBPBESRZSA-N 0 3 286.375 3.207 50 0 CGAAHN Cc1ccc2c(=O)c(CN3CCCC3)c(C)[nH]c2c1C ZINC000008714064 170348518 /nfs/dbraw/zinc/34/85/18/170348518.db2.gz MWIBNEMXTPEKAQ-UHFFFAOYSA-N 0 3 270.376 3.461 50 0 CGAAHN c1cc(-c2ccccc2)oc1CN[C@@H]1CN2CCC1CC2 ZINC000020477270 171221098 /nfs/dbraw/zinc/22/10/98/171221098.db2.gz OIQJHPQXGQWBHH-QGZVFWFLSA-N 0 3 282.387 3.130 50 0 CGAAHN c1coc([C@H](CNCc2cccs2)N2CCCC2)c1 ZINC000022933767 171404351 /nfs/dbraw/zinc/40/43/51/171404351.db2.gz KEFZJRAOQGSDAX-AWEZNQCLSA-N 0 3 276.405 3.268 50 0 CGAAHN CCN(Cc1ccccc1)Cc1cc(F)ccc1N ZINC000035308484 172121678 /nfs/dbraw/zinc/12/16/78/172121678.db2.gz KGJOAYMPLLBRAQ-UHFFFAOYSA-N 0 3 258.340 3.430 50 0 CGAAHN CCOc1ncc(CNCCc2ccc(F)cc2)s1 ZINC000045205470 175327651 /nfs/dbraw/zinc/32/76/51/175327651.db2.gz YSIORQSWWCIDAP-UHFFFAOYSA-N 0 3 280.368 3.013 50 0 CGAAHN CCCNC(=O)c1cccc(CNCc2cccc(C)c2)c1 ZINC000047794353 175413603 /nfs/dbraw/zinc/41/36/03/175413603.db2.gz VNOHFLLORFWQJT-UHFFFAOYSA-N 0 3 296.414 3.425 50 0 CGAAHN c1cncc(C2CN(Cc3cccc4cnccc43)C2)c1 ZINC000072142118 176323294 /nfs/dbraw/zinc/32/32/94/176323294.db2.gz NPSATFRHRQRBCG-UHFFFAOYSA-N 0 3 275.355 3.229 50 0 CGAAHN COc1ccc(CNCCc2ccco2)c(Cl)c1OC ZINC000078603727 177359001 /nfs/dbraw/zinc/35/90/01/177359001.db2.gz KFXRLYAGPHUMDR-UHFFFAOYSA-N 0 3 295.766 3.283 50 0 CGAAHN CO[C@H](CN[C@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315986 419757462 /nfs/dbraw/zinc/75/74/62/419757462.db2.gz ONGPJCZSGROHHD-MLGOLLRUSA-N 0 3 263.381 3.248 50 0 CGAAHN C[C@@H](CNC(=O)NC1CCCCCC1)N1CCC(C)CC1 ZINC000065477830 278274530 /nfs/dbraw/zinc/27/45/30/278274530.db2.gz VMJDJERPTKFZCN-HNNXBMFYSA-N 0 3 295.471 3.129 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000012436713 278509070 /nfs/dbraw/zinc/50/90/70/278509070.db2.gz RJXDBTDFBZRPHG-OBVSXPTNSA-N 0 3 293.451 3.452 50 0 CGAAHN CC1CCN([C@H](CN)c2ccc(Cl)cc2)CC1 ZINC000038638678 278550910 /nfs/dbraw/zinc/55/09/10/278550910.db2.gz PGPDBGFJPZHVTI-CQSZACIVSA-N 0 3 252.789 3.072 50 0 CGAAHN C[C@@H]1Cc2c3ccccc3[nH]c2[C@@]2(CNc3ccccc32)N1 ZINC000000518641 279010743 /nfs/dbraw/zinc/01/07/43/279010743.db2.gz APRJFLZRSMYBET-BLVKFPJESA-N 0 3 289.382 3.371 50 0 biogenic CGAAHN Cc1cccc([C@@H](NC2CCOCC2)c2ccccn2)c1 ZINC000090946719 281252453 /nfs/dbraw/zinc/25/24/53/281252453.db2.gz KHNQLYHKEAINKE-GOSISDBHSA-N 0 3 282.387 3.248 50 0 CGAAHN CC(C)(C)c1ccc(CN2CCC(CC(N)=O)CC2)s1 ZINC000096489860 526776327 /nfs/dbraw/zinc/77/63/27/526776327.db2.gz WJASFJQVGGLSRC-UHFFFAOYSA-N 0 3 294.464 3.133 50 0 CGAAHN CC[C@@H](C(=O)NCCCc1ccccc1Cl)N(C)CC ZINC000952969971 615380911 /nfs/dbraw/zinc/38/09/11/615380911.db2.gz HMDBSOXIXSAAPD-HNNXBMFYSA-N 0 3 296.842 3.119 50 0 CGAAHN Cc1ncsc1CN[C@@H](C)/C=C/c1ccccn1 ZINC000888098181 619259945 /nfs/dbraw/zinc/25/99/45/619259945.db2.gz CLZYTUVDQNIGJG-MLRMMBSGSA-N 0 3 259.378 3.038 50 0 CGAAHN C[C@@H](C[C@H](C)SC1CCCC1)NCc1cc[nH]n1 ZINC000888098670 619260446 /nfs/dbraw/zinc/26/04/46/619260446.db2.gz NSECJHFPKLXPHF-RYUDHWBXSA-N 0 3 267.442 3.342 50 0 CGAAHN COCc1ccccc1CN[C@H](C)c1ccc2c(c1)OCO2 ZINC000119569951 619283382 /nfs/dbraw/zinc/28/33/82/619283382.db2.gz OMLOPAFFKBSIDL-CYBMUJFWSA-N 0 3 299.370 3.413 50 0 CGAAHN CCOc1ccc([C@H](CC)NCc2[nH]cnc2C)cc1 ZINC000952989742 636778192 /nfs/dbraw/zinc/77/81/92/636778192.db2.gz OTRMPBSHDJWWPK-HNNXBMFYSA-N 0 3 273.380 3.358 50 0 CGAAHN Cc1cnc(C2CN(Cc3ccccc3)C2)n1CC1CC1 ZINC000581812945 799675075 /nfs/dbraw/zinc/67/50/75/799675075.db2.gz YBXKEIDEYQIZFP-UHFFFAOYSA-N 0 3 281.403 3.201 50 0 CGAAHN CCCOc1c(Cl)cccc1NC(=O)[C@@H]1CCCCN1 ZINC000952861768 800685227 /nfs/dbraw/zinc/68/52/27/800685227.db2.gz KDLXITGAWYMQOY-ZDUSSCGKSA-N 0 3 296.798 3.209 50 0 CGAAHN CC[C@H](Cn1ccnc1)NCc1ccc(F)cc1Cl ZINC001506409918 937989977 /nfs/dbraw/zinc/98/99/77/937989977.db2.gz AUOAUOGHJHIAET-CYBMUJFWSA-N 0 3 281.762 3.244 50 0 CGAAHN Cc1noc(C)c1CN[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000096486382 230381669 /nfs/dbraw/zinc/38/16/69/230381669.db2.gz VODFCTBRBOVMEJ-MGPLVRAMSA-N 0 3 292.354 3.032 50 0 CGAAHN CCN(C(=O)C[C@H](N)c1ccccc1)c1ccc(F)cc1 ZINC000095956300 185043038 /nfs/dbraw/zinc/04/30/38/185043038.db2.gz KTYGVNYCGCHVMC-INIZCTEOSA-N 0 3 286.350 3.269 50 0 CGAAHN Cc1cc([C@H](C)N[C@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967530 185046975 /nfs/dbraw/zinc/04/69/75/185046975.db2.gz ZIPLSLTWDCFCKV-JQWIXIFHSA-N 0 3 290.329 3.184 50 0 CGAAHN Cc1cc(Cl)cc(C)c1CNCC[C@H](C)[S@@](C)=O ZINC000095975532 185050785 /nfs/dbraw/zinc/05/07/85/185050785.db2.gz DDTLBJOMCAUTPK-SGTLLEGYSA-N 0 3 287.856 3.204 50 0 CGAAHN Cc1ncccc1CN[C@@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095978206 185052244 /nfs/dbraw/zinc/05/22/44/185052244.db2.gz OMLSGFXBIOKDMZ-YVEFUNNKSA-N 0 3 288.366 3.131 50 0 CGAAHN Cc1cc(C)cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)c1 ZINC000095956256 345900970 /nfs/dbraw/zinc/90/09/70/345900970.db2.gz TUDGRQHMPDWOQJ-INIZCTEOSA-N 0 3 282.387 3.159 50 0 CGAAHN CC(C)C(=O)N1CC[C@H](N[C@H](C)c2cccc(Cl)c2)C1 ZINC000097227984 345908085 /nfs/dbraw/zinc/90/80/85/345908085.db2.gz AOOXYNSCVMJKET-DOMZBBRYSA-N 0 3 294.826 3.248 50 0 CGAAHN Cc1ccc(CNC[C@@](C)(O)c2ccccc2Cl)nc1 ZINC000097378278 345908650 /nfs/dbraw/zinc/90/86/50/345908650.db2.gz QHFGHGFRAIMTRQ-MRXNPFEDSA-N 0 3 290.794 3.041 50 0 CGAAHN c1coc([C@H]2CCCN2CCOc2ccccc2)c1 ZINC000116295847 345976940 /nfs/dbraw/zinc/97/69/40/345976940.db2.gz IXUNQNHMPCXQMC-OAHLLOKOSA-N 0 3 257.333 3.496 50 0 CGAAHN C[C@H](N)c1ccc(Cl)cc1OCC(F)(F)F ZINC000601014822 347852789 /nfs/dbraw/zinc/85/27/89/347852789.db2.gz VVELNZAEXQZRIA-LURJTMIESA-N 0 3 253.651 3.301 50 0 CGAAHN CC(C)=CC[C@@]1(CO)CCCN(Cc2ccoc2)C1 ZINC000091526278 180179178 /nfs/dbraw/zinc/17/91/78/180179178.db2.gz PEDYRKAFWPJTFY-INIZCTEOSA-N 0 3 263.381 3.210 50 0 CGAAHN CCOC1CCN(Cc2cc3cc(OC)ccc3o2)CC1 ZINC000091679857 180226159 /nfs/dbraw/zinc/22/61/59/180226159.db2.gz UZOXOJBQEBFYHI-UHFFFAOYSA-N 0 3 289.375 3.442 50 0 CGAAHN Cc1nc(CN2CCCC[C@H]2CCc2ccccc2)n[nH]1 ZINC000428303291 236390636 /nfs/dbraw/zinc/39/06/36/236390636.db2.gz SDLMXLOVPDMYGP-INIZCTEOSA-N 0 3 284.407 3.100 50 0 CGAAHN C[C@H]1Cc2c3ccccc3[nH]c2[C@]2(CNc3ccccc32)N1 ZINC000000518638 291161527 /nfs/dbraw/zinc/16/15/27/291161527.db2.gz APRJFLZRSMYBET-HXPMCKFVSA-N 0 3 289.382 3.371 50 0 biogenic CGAAHN CCS[C@H]1CCCC[C@@H]1NCc1c(C)noc1C ZINC000190043967 189553146 /nfs/dbraw/zinc/55/31/46/189553146.db2.gz UNSVCDYBOCCCOE-KBPBESRZSA-N 0 3 268.426 3.445 50 0 CGAAHN CN(C)CCNc1cc(-c2cccnc2)nc2ccccc21 ZINC000000218019 368319366 /nfs/dbraw/zinc/31/93/66/368319366.db2.gz ICNKLVARUWKVTN-UHFFFAOYSA-N 0 3 292.386 3.270 50 0 CGAAHN COc1ccccc1C1(O)CCN(Cc2ccccc2)CC1 ZINC000000086089 368285702 /nfs/dbraw/zinc/28/57/02/368285702.db2.gz ASYCIZHUIHSFIU-UHFFFAOYSA-N 0 3 297.398 3.179 50 0 CGAAHN CC1(C)CN=C(NCc2ccccc2Cl)S1 ZINC000000529071 368383460 /nfs/dbraw/zinc/38/34/60/368383460.db2.gz KVHCSYLFCIVZLQ-UHFFFAOYSA-N 0 3 254.786 3.311 50 0 CGAAHN CCc1ccccc1NC(=O)CN(C)C1CCCCC1 ZINC000013323259 368649363 /nfs/dbraw/zinc/64/93/63/368649363.db2.gz DCBGBMDESDNQPJ-UHFFFAOYSA-N 0 3 274.408 3.452 50 0 CGAAHN O[C@H](CNCc1ccc(Cl)cc1)c1ccccc1 ZINC000016477455 368713650 /nfs/dbraw/zinc/71/36/50/368713650.db2.gz BTAHORQFAGKZDL-OAHLLOKOSA-N 0 3 261.752 3.163 50 0 CGAAHN CC(=O)Nc1ccc(CNCc2ccc(F)cc2)cc1 ZINC000014137370 368675168 /nfs/dbraw/zinc/67/51/68/368675168.db2.gz VQFCYSCCUIVSEP-UHFFFAOYSA-N 0 3 272.323 3.074 50 0 CGAAHN CCC(C)(C)[NH2+]Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000018940148 368742671 /nfs/dbraw/zinc/74/26/71/368742671.db2.gz ADYNWAFAPILFOJ-UHFFFAOYSA-N 0 3 275.348 3.085 50 0 CGAAHN CC(=O)Nc1ccc(CNCCOc2cccc(C)c2)cc1 ZINC000017315838 368730587 /nfs/dbraw/zinc/73/05/87/368730587.db2.gz JSDHDGCFNZFJCG-UHFFFAOYSA-N 0 3 298.386 3.122 50 0 CGAAHN CCN1CCN(C2CCC(c3ccccc3)CC2)CC1 ZINC000019636418 368759007 /nfs/dbraw/zinc/75/90/07/368759007.db2.gz XMDMJJCQBSHFMK-UHFFFAOYSA-N 0 3 272.436 3.350 50 0 CGAAHN CC[C@@H](C)Oc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000019737913 368763336 /nfs/dbraw/zinc/76/33/36/368763336.db2.gz BFQINCRRDWDXIZ-CZUORRHYSA-N 0 3 263.381 3.133 50 0 CGAAHN Fc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019880275 368775854 /nfs/dbraw/zinc/77/58/54/368775854.db2.gz ASHSTEJRNUUTIG-INIZCTEOSA-N 0 3 288.410 3.300 50 0 CGAAHN N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000019841510 368771269 /nfs/dbraw/zinc/77/12/69/368771269.db2.gz ACOUQABLVLKBMO-OAHLLOKOSA-N 0 3 275.735 3.159 50 0 CGAAHN CN(C)[C@@H](CNc1nc2ccccc2o1)Cc1ccccc1 ZINC000024985886 368838773 /nfs/dbraw/zinc/83/87/73/368838773.db2.gz WEOMNYBSEZILGT-OAHLLOKOSA-N 0 3 295.386 3.413 50 0 CGAAHN CCCCNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000019907393 368780689 /nfs/dbraw/zinc/78/06/89/368780689.db2.gz QMNAHIQXXGDXJC-UHFFFAOYSA-N 0 3 288.435 3.123 50 0 CGAAHN CSc1ccc(CN[C@H]2CCCc3c2cnn3C)cc1 ZINC000030908615 368909668 /nfs/dbraw/zinc/90/96/68/368909668.db2.gz APVRTTNQJKBERC-HNNXBMFYSA-N 0 3 287.432 3.309 50 0 CGAAHN O[C@H](CNCc1ccccc1Cl)c1ccc(F)c(F)c1 ZINC000037863652 369121407 /nfs/dbraw/zinc/12/14/07/369121407.db2.gz ZZCVMVFFJKEHJD-OAHLLOKOSA-N 0 3 297.732 3.441 50 0 CGAAHN O=C(NCCN1CCCCCC1)c1ccc(F)cc1Cl ZINC000048363393 369344191 /nfs/dbraw/zinc/34/41/91/369344191.db2.gz ZKRFDLAVMZETKT-UHFFFAOYSA-N 0 3 298.789 3.085 50 0 CGAAHN C[C@H](CNC(=O)c1cc2ccccc2o1)N1CCCCC1 ZINC000055932616 369523202 /nfs/dbraw/zinc/52/32/02/369523202.db2.gz RFEYABKOWIHEJT-CYBMUJFWSA-N 0 3 286.375 3.037 50 0 CGAAHN C[C@H](NCC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1 ZINC000058162383 369556978 /nfs/dbraw/zinc/55/69/78/369556978.db2.gz HXIQLQTWGVAYKY-AWEZNQCLSA-N 0 3 297.402 3.042 50 0 CGAAHN O=C(c1cccc2ccccc21)N1CCCN(C2CC2)CC1 ZINC000058282526 369561660 /nfs/dbraw/zinc/56/16/60/369561660.db2.gz CGPGTHDXMKZPLB-UHFFFAOYSA-N 0 3 294.398 3.150 50 0 CGAAHN CN(Cc1cc(C(C)(C)C)n[nH]1)C1Cc2ccccc2C1 ZINC000065462645 369677564 /nfs/dbraw/zinc/67/75/64/369677564.db2.gz WLAFXDDTWBPCAW-UHFFFAOYSA-N 0 3 283.419 3.306 50 0 CGAAHN Cc1cnn(C[C@@H](C)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000069704318 369767766 /nfs/dbraw/zinc/76/77/66/369767766.db2.gz WAPCJYMQXUBYGV-OLZOCXBDSA-N 0 3 261.344 3.070 50 0 CGAAHN Cc1noc(C)c1CN1CCC[C@@H]1COc1ccccc1 ZINC000079090863 369963313 /nfs/dbraw/zinc/96/33/13/369963313.db2.gz YTEJQNLNDCYYMP-OAHLLOKOSA-N 0 3 286.375 3.335 50 0 CGAAHN Cc1ccc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000089655995 370044443 /nfs/dbraw/zinc/04/44/43/370044443.db2.gz IIACMMJJGLWEQR-CQSZACIVSA-N 0 3 296.374 3.362 50 0 CGAAHN Cc1nnc(CN[C@@H](C)[C@@H](C)c2ccccc2)n1C1CC1 ZINC000097110006 370226083 /nfs/dbraw/zinc/22/60/83/370226083.db2.gz XVPMPDGTNJZDNM-OLZOCXBDSA-N 0 3 284.407 3.203 50 0 CGAAHN CC[C@@H]1CC[C@@H](C)N1CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000095459151 370198434 /nfs/dbraw/zinc/19/84/34/370198434.db2.gz UCZMUBNNVLLJJI-APIJFGDWSA-N 0 3 266.429 3.039 50 0 CGAAHN COC[C@H]1CCCCN1Cc1cc2ccccc2n1C ZINC000097711701 370252082 /nfs/dbraw/zinc/25/20/82/370252082.db2.gz IWADIFYPLGYLHY-OAHLLOKOSA-N 0 3 272.392 3.179 50 0 CGAAHN CC(C)(CCO)NCc1ccc(F)cc1C(F)(F)F ZINC000164703088 372529077 /nfs/dbraw/zinc/52/90/77/372529077.db2.gz AFSSRTCQHBFMPN-UHFFFAOYSA-N 0 3 279.277 3.095 50 0 CGAAHN Cc1ccn(CCN2CCC[C@H]2c2ccccc2)n1 ZINC000299784578 373612417 /nfs/dbraw/zinc/61/24/17/373612417.db2.gz MLAUHXMNJODCSN-INIZCTEOSA-N 0 3 255.365 3.029 50 0 CGAAHN CCNc1ncc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000215641287 376150596 /nfs/dbraw/zinc/15/05/96/376150596.db2.gz AZHYSHXNEZAGMR-QGZVFWFLSA-N 0 3 296.418 3.288 50 0 CGAAHN Cc1nccn1CC1CCN(Cc2ccc(Cl)o2)CC1 ZINC000216172851 376158809 /nfs/dbraw/zinc/15/88/09/376158809.db2.gz UDORHJWYRLIIMY-UHFFFAOYSA-N 0 3 293.798 3.350 50 0 CGAAHN Cc1noc(C)c1CN(C)[C@@H](C)Cc1cc(C)ccn1 ZINC000216232508 376160592 /nfs/dbraw/zinc/16/05/92/376160592.db2.gz KZONJPJEUKBWLW-LBPRGKRZSA-N 0 3 273.380 3.058 50 0 CGAAHN Cc1n[nH]c(C)c1CN1CC[C@@H](c2ccc(F)cc2)C1 ZINC000216411055 376163431 /nfs/dbraw/zinc/16/34/31/376163431.db2.gz FEOGSAPOXVCDKN-CQSZACIVSA-N 0 3 273.355 3.155 50 0 CGAAHN CCOc1cc(C[N@H+](C)CCSC)cc(Cl)c1[O-] ZINC000225421266 376307604 /nfs/dbraw/zinc/30/76/04/376307604.db2.gz RSZUBTTVQSLMBU-UHFFFAOYSA-N 0 3 289.828 3.239 50 0 CGAAHN CCOc1cc(C[N@@H+](C)CCSC)cc(Cl)c1[O-] ZINC000225421266 376307607 /nfs/dbraw/zinc/30/76/07/376307607.db2.gz RSZUBTTVQSLMBU-UHFFFAOYSA-N 0 3 289.828 3.239 50 0 CGAAHN C/C(=C\C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000229632935 376467710 /nfs/dbraw/zinc/46/77/10/376467710.db2.gz GVEDMVJSRFDRCT-FYPROGPPSA-N 0 3 298.430 3.294 50 0 CGAAHN Cc1cccc(OCCCN(C)C[C@H](O)c2ccccc2)c1 ZINC000244678959 376793515 /nfs/dbraw/zinc/79/35/15/376793515.db2.gz INDBDEJCWFMFMY-IBGZPJMESA-N 0 3 299.414 3.429 50 0 CGAAHN C[C@@H](NCC[C@@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910199 377108066 /nfs/dbraw/zinc/10/80/66/377108066.db2.gz WJRSGSYBZSRAQR-RBSFLKMASA-N 0 3 287.407 3.190 50 0 CGAAHN Cc1csc(CN(C)Cc2ccc(CN(C)C)cc2)n1 ZINC000408513750 380013638 /nfs/dbraw/zinc/01/36/38/380013638.db2.gz BSEUSAVEWCGACS-UHFFFAOYSA-N 0 3 289.448 3.145 50 0 CGAAHN CN(CCO[C@@H]1CCCCO1)Cc1cccc2[nH]ccc21 ZINC000408514849 380014918 /nfs/dbraw/zinc/01/49/18/380014918.db2.gz JVMWOLQCHIVVHH-QGZVFWFLSA-N 0 3 288.391 3.143 50 0 CGAAHN CN(CCn1nc(C2CC2)nc1C1CC1)Cc1ccccc1 ZINC000408521625 380015980 /nfs/dbraw/zinc/01/59/80/380015980.db2.gz AHCFSSGRWYWFCD-UHFFFAOYSA-N 0 3 296.418 3.165 50 0 CGAAHN C[C@@H](NC[C@@](C)(O)c1cccs1)c1ccccc1F ZINC000095422970 184977950 /nfs/dbraw/zinc/97/79/50/184977950.db2.gz KFDMVZLPCHZXTA-IAQYHMDHSA-N 0 3 279.380 3.446 50 0 CGAAHN C[C@@H](c1ccc(OC(F)F)cc1)N(C)C[C@H]1CCCO1 ZINC000252678307 131136285 /nfs/dbraw/zinc/13/62/85/131136285.db2.gz DMFDEQFBQXPCAZ-SMDDNHRTSA-N 0 3 285.334 3.460 50 0 CGAAHN Cc1ccc(C)c(OCCN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193997187 392894596 /nfs/dbraw/zinc/89/45/96/392894596.db2.gz QILKXUQKVZTAIZ-INIZCTEOSA-N 0 3 299.418 3.285 50 0 CGAAHN CCCn1cc(CN(CC)[C@@H]2CCOC(C)(C)C2)cn1 ZINC000356233474 393391294 /nfs/dbraw/zinc/39/12/94/393391294.db2.gz BNSNCTOLHAZQAT-OAHLLOKOSA-N 0 3 279.428 3.073 50 0 CGAAHN Cc1cc(C(=O)Nc2ccc3c(c2)CNCC3)ccc1F ZINC000069052625 165047448 /nfs/dbraw/zinc/04/74/48/165047448.db2.gz WRLSCLSHRSLSNE-UHFFFAOYSA-N 0 3 284.334 3.032 50 0 CGAAHN CCc1ccc(CN(CCO)[C@H]2CCc3ccccc32)o1 ZINC000093387776 287115626 /nfs/dbraw/zinc/11/56/26/287115626.db2.gz ZMQWTSHGPYWSME-SFHVURJKSA-N 0 3 285.387 3.324 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@H](c1cccc(Cl)c1)NCC2 ZINC000004731372 170007131 /nfs/dbraw/zinc/00/71/31/170007131.db2.gz XYHROWNMYDANFB-KKUMJFAQSA-N 0 3 265.784 3.296 50 0 CGAAHN CCCc1ccc(OCCNCc2ccco2)c(OC)c1 ZINC000004841900 170028368 /nfs/dbraw/zinc/02/83/68/170028368.db2.gz JBBUUIXTTUKSCJ-UHFFFAOYSA-N 0 3 289.375 3.409 50 0 CGAAHN CC[C@H](CO)NCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004942890 170043569 /nfs/dbraw/zinc/04/35/69/170043569.db2.gz VJNNOQGSQMESLE-CYBMUJFWSA-N 0 3 279.767 3.461 50 0 CGAAHN O[C@@H](CNC/C=C/c1ccccc1)c1ccccc1 ZINC000006703797 170230733 /nfs/dbraw/zinc/23/07/33/170230733.db2.gz KGVMWXOXZIZYGK-JEJOPICUSA-N 0 3 253.345 3.023 50 0 CGAAHN COc1cccc(NC(=O)[C@H](NC(C)C)c2ccccc2)c1 ZINC000007376291 170280428 /nfs/dbraw/zinc/28/04/28/170280428.db2.gz ZHXFOZQKJITPKI-QGZVFWFLSA-N 0 3 298.386 3.373 50 0 CGAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCC[C@@H](C)C1 ZINC000008700914 170346772 /nfs/dbraw/zinc/34/67/72/170346772.db2.gz ULYRNJXBIWKSGT-GFCCVEGCSA-N 0 3 270.376 3.481 50 0 biogenic CGAAHN CC(=O)Nc1ccc(CNCc2cccc(F)c2)cc1 ZINC000020362940 171161866 /nfs/dbraw/zinc/16/18/66/171161866.db2.gz QHSBEPNQJNKUNQ-UHFFFAOYSA-N 0 3 272.323 3.074 50 0 CGAAHN C[C@@H](NCc1ccc(F)cc1)[C@@H](O)c1ccccc1 ZINC000020419047 171184002 /nfs/dbraw/zinc/18/40/02/171184002.db2.gz CEIMNJLAYFXAQO-MLGOLLRUSA-N 0 3 259.324 3.037 50 0 CGAAHN CN(C)C[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 ZINC000021835697 171334926 /nfs/dbraw/zinc/33/49/26/171334926.db2.gz BZWSRYOUVLZOAN-MRXNPFEDSA-N 0 3 283.375 3.111 50 0 CGAAHN CC(=O)N1CCC(N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037317989 173118110 /nfs/dbraw/zinc/11/81/10/173118110.db2.gz DBMFFYZXXMSIGE-JTQLQIEISA-N 0 3 298.789 3.141 50 0 CGAAHN CSc1ccc(OCCN(C)C[C@@H]2CCCCO2)cc1 ZINC000072304867 176366148 /nfs/dbraw/zinc/36/61/48/176366148.db2.gz CABGCSUTAYYNJM-HNNXBMFYSA-N 0 3 295.448 3.288 50 0 CGAAHN CCNCc1cc(-c2cc(Br)ccc2C)n[nH]1 ZINC000725264664 544113800 /nfs/dbraw/zinc/11/38/00/544113800.db2.gz DAIQZFKQIYITEV-UHFFFAOYSA-N 0 3 294.196 3.257 50 0 CGAAHN CC(C)[C@H](O)[C@H](N[C@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288538 419736334 /nfs/dbraw/zinc/73/63/34/419736334.db2.gz VLYYESWPIWCQRQ-ZACQAIPSSA-N 0 3 289.419 3.046 50 0 CGAAHN c1csc([C@@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688738 260114656 /nfs/dbraw/zinc/11/46/56/260114656.db2.gz ORBSTHZLNWEZID-HNNXBMFYSA-N 0 3 254.358 3.465 50 0 CGAAHN CC(C)Cc1ccccc1CNCc1cnc2cnccn12 ZINC000527732347 270132917 /nfs/dbraw/zinc/13/29/17/270132917.db2.gz CQIMZMGWWTYZQV-UHFFFAOYSA-N 0 3 294.402 3.218 50 0 CGAAHN CC1(C)C=C[C@H](N[C@H](CCO)c2ccccc2)CC1 ZINC000225633738 278183785 /nfs/dbraw/zinc/18/37/85/278183785.db2.gz PEOVOXZFHXVBHQ-JKSUJKDBSA-N 0 3 259.393 3.445 50 0 CGAAHN Clc1cccc(C2(N[C@H]3CCCOC3)CC2)c1 ZINC000534584086 328310332 /nfs/dbraw/zinc/31/03/32/328310332.db2.gz SJLIRPGMYXRVLR-ZDUSSCGKSA-N 0 3 251.757 3.098 50 0 CGAAHN C[C@H](NCc1ccc(Cn2cncn2)cc1)c1ccsc1 ZINC000096476543 533919898 /nfs/dbraw/zinc/91/98/98/533919898.db2.gz UFPSJVQPUKIPID-ZDUSSCGKSA-N 0 3 298.415 3.239 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)nc1 ZINC000096486362 534088811 /nfs/dbraw/zinc/08/88/11/534088811.db2.gz TUMXEBGZBRJFBG-CXAGYDPISA-N 0 3 288.366 3.131 50 0 CGAAHN CCOc1ccc(-c2cccc(NC(C)=O)c2)cc1CNC ZINC000067982812 520811379 /nfs/dbraw/zinc/81/13/79/520811379.db2.gz MHABBMJPBFKLFM-UHFFFAOYSA-N 0 3 298.386 3.430 50 0 CGAAHN CCc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000019871934 523943054 /nfs/dbraw/zinc/94/30/54/523943054.db2.gz RVPGAQKKCJHKJX-KRWDZBQOSA-N 0 3 255.361 3.072 50 0 CGAAHN CCOC(=O)N1CCC(NCc2ccccc2Cl)CC1 ZINC000000757654 528957204 /nfs/dbraw/zinc/95/72/04/528957204.db2.gz APKJMUKORKEQSB-UHFFFAOYSA-N 0 3 296.798 3.051 50 0 CGAAHN O[C@]1(c2ccccc2)CCN(Cc2ccccc2Cl)C1 ZINC000019853623 641038887 /nfs/dbraw/zinc/03/88/87/641038887.db2.gz BSGKDIVDTCEBLL-QGZVFWFLSA-N 0 3 287.790 3.434 50 0 CGAAHN c1sc(-c2cnccn2)nc1CNC[C@@H]1CC=CCC1 ZINC000952960072 800687708 /nfs/dbraw/zinc/68/77/08/800687708.db2.gz ZXZVDVQCHOKEPK-GFCCVEGCSA-N 0 3 286.404 3.046 50 0 CGAAHN Cc1cc(C)nc(CN[C@@H]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC001506403493 937989632 /nfs/dbraw/zinc/98/96/32/937989632.db2.gz SJVHOVATERTOOT-RNONSGAXSA-N 0 3 285.435 3.398 50 0 CGAAHN Cc1ncsc1CN[C@@H](C)CSC(C)(C)C ZINC000095967737 185047028 /nfs/dbraw/zinc/04/70/28/185047028.db2.gz STNVQERCHUMZFO-VIFPVBQESA-N 0 3 258.456 3.461 50 0 CGAAHN Cc1ccc(SCCCN2CCN(C)CC2)c(C)c1 ZINC000096003419 185061657 /nfs/dbraw/zinc/06/16/57/185061657.db2.gz YIKYGNRIAALSMH-UHFFFAOYSA-N 0 3 278.465 3.033 50 0 CGAAHN C[C@@H](NCCCc1cc(F)cc(F)c1)c1cnccn1 ZINC000097032900 185156156 /nfs/dbraw/zinc/15/61/56/185156156.db2.gz YRJCNTJCZMVHAE-LLVKDONJSA-N 0 3 277.318 3.038 50 0 CGAAHN CCOc1ccccc1OCCCNCc1ccco1 ZINC000003001788 344857675 /nfs/dbraw/zinc/85/76/75/344857675.db2.gz DIMMCISOJWLKDL-UHFFFAOYSA-N 0 3 275.348 3.237 50 0 CGAAHN Fc1ccccc1N1CCN(C[C@H]2CC=CCC2)CC1 ZINC000023281212 344897859 /nfs/dbraw/zinc/89/78/59/344897859.db2.gz MNZNVDYPBCFPFZ-HNNXBMFYSA-N 0 3 274.383 3.304 50 0 CGAAHN CCNC(C)(C)C(=O)c1cn(CC)c2ccccc12 ZINC000034222356 344938321 /nfs/dbraw/zinc/93/83/21/344938321.db2.gz PMFMVRPWSRPQDH-UHFFFAOYSA-N 0 3 258.365 3.232 50 0 CGAAHN CCn1ncc2c1CCC[C@@H]2NCc1ccc(OC)cc1 ZINC000072298479 345409082 /nfs/dbraw/zinc/40/90/82/345409082.db2.gz PZVGOUOLNIKLFU-INIZCTEOSA-N 0 3 285.391 3.079 50 0 CGAAHN CC(C)(C)c1n[nH]cc1CNCc1ccc2c(c1)CCC2 ZINC000079919853 345658599 /nfs/dbraw/zinc/65/85/99/345658599.db2.gz DNEYAADTWSFXTJ-UHFFFAOYSA-N 0 3 283.419 3.486 50 0 CGAAHN CCc1nc2n(n1)CCC[C@@H]2N[C@H]1CCC[C@H](CC)C1 ZINC000095423708 345900172 /nfs/dbraw/zinc/90/01/72/345900172.db2.gz SYMRUWXBFXIQDV-IHRRRGAJSA-N 0 3 276.428 3.234 50 0 CGAAHN Cc1csc([C@@H](N[C@@H]2CCCSC2)C2CC2)n1 ZINC000097370839 345908099 /nfs/dbraw/zinc/90/80/99/345908099.db2.gz CDWCYHUSUNAEEP-NEPJUHHUSA-N 0 3 268.451 3.388 50 0 CGAAHN COC[C@H](NCCc1cc(F)ccc1F)c1ccccc1 ZINC000225634014 346304846 /nfs/dbraw/zinc/30/48/46/346304846.db2.gz CIFFCWYMSNRFBM-KRWDZBQOSA-N 0 3 291.341 3.485 50 0 CGAAHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCc1cccs1 ZINC000247862151 346373255 /nfs/dbraw/zinc/37/32/55/346373255.db2.gz WLERMCPYJVORCQ-CFVMTHIKSA-N 0 3 293.432 3.097 50 0 CGAAHN O[C@H]1CCN(Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000636440462 351762263 /nfs/dbraw/zinc/76/22/63/351762263.db2.gz FQRWPENVTWUZJJ-HOTGVXAUSA-N 0 3 273.401 3.446 50 0 CGAAHN CCc1nc(CN[C@H](Cc2ccccn2)C2CC2)cs1 ZINC000156484453 188265032 /nfs/dbraw/zinc/26/50/32/188265032.db2.gz NUUANESEHSTWQR-OAHLLOKOSA-N 0 3 287.432 3.211 50 0 CGAAHN Cc1cccc(C2=CCN(Cc3cnc[nH]3)CC2)c1 ZINC000180781016 189274839 /nfs/dbraw/zinc/27/48/39/189274839.db2.gz CTPAZXGBOZKFPM-UHFFFAOYSA-N 0 3 253.349 3.007 50 0 CGAAHN C[C@@H](NC1Cc2ccccc2C1)c1cncc(F)c1 ZINC000182274721 189318291 /nfs/dbraw/zinc/31/82/91/189318291.db2.gz RVTFCMLUKLAGJP-LLVKDONJSA-N 0 3 256.324 3.039 50 0 CGAAHN COc1cc2c(cc1OC)CN(C[C@H]1CC=CCC1)CC2 ZINC000000216416 368317454 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368641122 /nfs/dbraw/zinc/64/11/22/368641122.db2.gz JZSZEVXORMESBM-UHFFFAOYSA-N 0 3 299.418 3.015 50 0 CGAAHN CN(CC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000013323119 368649543 /nfs/dbraw/zinc/64/95/43/368649543.db2.gz WWLXAKRALLNSRY-UHFFFAOYSA-N 0 3 264.344 3.029 50 0 CGAAHN CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccco2)C1 ZINC000013397343 368653184 /nfs/dbraw/zinc/65/31/84/368653184.db2.gz FIMPJCWBSXAFIG-KBPBESRZSA-N 0 3 289.762 3.461 50 0 CGAAHN CC(C)C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 ZINC000027749515 368875078 /nfs/dbraw/zinc/87/50/78/368875078.db2.gz DSLKJQXCCKEZNS-AWEZNQCLSA-N 0 3 294.464 3.437 50 0 CGAAHN CCn1c2ccccc2c2cc(CN[C@H](C)CO)ccc21 ZINC000036825927 369031476 /nfs/dbraw/zinc/03/14/76/369031476.db2.gz YMUZIIXKNPATNG-CYBMUJFWSA-N 0 3 282.387 3.285 50 0 CGAAHN CCc1ccc(NC(=O)[C@@H](C)NCc2ccccc2)cc1 ZINC000057999852 369551627 /nfs/dbraw/zinc/55/16/27/369551627.db2.gz MVIDMPLZGBYBCL-CQSZACIVSA-N 0 3 282.387 3.366 50 0 CGAAHN CC(C)CCC[C@H]1CN(C2CCSCC2)CCO1 ZINC000065410303 369674362 /nfs/dbraw/zinc/67/43/62/369674362.db2.gz APRZYERFFWMADF-HNNXBMFYSA-N 0 3 271.470 3.409 50 0 CGAAHN Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000069493285 369762466 /nfs/dbraw/zinc/76/24/66/369762466.db2.gz WMLGHIJLUAFCTP-VXGBXAGGSA-N 0 3 279.334 3.209 50 0 CGAAHN Fc1ccccc1[C@H]1CCN(Cc2ccncc2)C1 ZINC000072428089 369819610 /nfs/dbraw/zinc/81/96/10/369819610.db2.gz HBUQIYHPEIIOTC-AWEZNQCLSA-N 0 3 256.324 3.210 50 0 CGAAHN CCC[C@H]1SCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000078966305 369957120 /nfs/dbraw/zinc/95/71/20/369957120.db2.gz LEPYKXDJUBQSDL-OAHLLOKOSA-N 0 3 292.448 3.063 50 0 CGAAHN COCCCCCN1CCC(C(=O)c2ccccc2)CC1 ZINC000075582709 369913552 /nfs/dbraw/zinc/91/35/52/369913552.db2.gz NNHWAJOPABFMCQ-UHFFFAOYSA-N 0 3 289.419 3.398 50 0 CGAAHN C[C@@H](NCCN(C)c1ccccc1)c1cncc(F)c1 ZINC000089904609 370050003 /nfs/dbraw/zinc/05/00/03/370050003.db2.gz VIKDJFQCHXJPOR-CYBMUJFWSA-N 0 3 273.355 3.008 50 0 CGAAHN CCCn1nc(C)c(CN2CCC[C@@H]2CSC)c1C ZINC000093760671 370155868 /nfs/dbraw/zinc/15/58/68/370155868.db2.gz DJPJPIQNQPHBFC-CQSZACIVSA-N 0 3 281.469 3.237 50 0 CGAAHN CN(C)Cc1ccnc(NCc2cc(F)c(F)c(F)c2)c1 ZINC000097045296 370217559 /nfs/dbraw/zinc/21/75/59/370217559.db2.gz MFUMIGDKLTVIHN-UHFFFAOYSA-N 0 3 295.308 3.173 50 0 CGAAHN C[C@@H](CNCc1sccc1Br)C[C@H](C)O ZINC000097378301 370241137 /nfs/dbraw/zinc/24/11/37/370241137.db2.gz GIWIMLQHMVPQJN-BDAKNGLRSA-N 0 3 292.242 3.007 50 0 CGAAHN C[C@@H](NCCc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000095422435 370190396 /nfs/dbraw/zinc/19/03/96/370190396.db2.gz AGDOOFHIHSJOOP-GFCCVEGCSA-N 0 3 286.350 3.049 50 0 CGAAHN OC[C@@]1(NCc2cccc3[nH]ccc32)CCc2ccccc21 ZINC000095429783 370191634 /nfs/dbraw/zinc/19/16/34/370191634.db2.gz NNGQIDMCQQBBER-IBGZPJMESA-N 0 3 292.382 3.092 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@@H](O)c2ccc(F)cc2)o1 ZINC000095448888 370195357 /nfs/dbraw/zinc/19/53/57/370195357.db2.gz XVJPKOXYAVBDCG-BDJLRTHQSA-N 0 3 277.339 3.329 50 0 CGAAHN CC(C)(CO)N(Cc1ccccc1)Cc1ccccc1 ZINC000116944119 370576140 /nfs/dbraw/zinc/57/61/40/370576140.db2.gz UKKNPSFYBMISHH-UHFFFAOYSA-N 0 3 269.388 3.460 50 0 CGAAHN C[C@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)n1C ZINC000162327846 372387496 /nfs/dbraw/zinc/38/74/96/372387496.db2.gz WMHWICNFRGYRJE-DZGCQCFKSA-N 0 3 284.407 3.150 50 0 CGAAHN O=C(Nc1ccc2c(c1)CNCC2)c1cc2ccccc2o1 ZINC000095394530 284327687 /nfs/dbraw/zinc/32/76/87/284327687.db2.gz XGDFSBZZYXYOFL-UHFFFAOYSA-N 0 3 292.338 3.331 50 0 CGAAHN C[C@H]1C[C@@H](c2cccnc2)N(Cc2cccc(O)c2)C1 ZINC000170606873 372641821 /nfs/dbraw/zinc/64/18/21/372641821.db2.gz DVWLMVVZBFDJHT-GUYCJALGSA-N 0 3 268.360 3.370 50 0 CGAAHN C[C@H](c1ccc(Cl)cc1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000075094597 541907445 /nfs/dbraw/zinc/90/74/45/541907445.db2.gz OEHZBBYFDTUIEI-YPMHNXCESA-N 0 3 290.798 3.399 50 0 CGAAHN CCCN(CCC)[C@@H](C)c1nc(-c2ccc(C)nn2)no1 ZINC000091551631 541966936 /nfs/dbraw/zinc/96/69/36/541966936.db2.gz ZGVRIOOBILBHGZ-LBPRGKRZSA-N 0 3 289.383 3.018 50 0 CGAAHN Cc1ncc(CN2CC[C@@H](c3cccc(Cl)c3)C2)[nH]1 ZINC000215136898 376146056 /nfs/dbraw/zinc/14/60/56/376146056.db2.gz BTEIRODIUARPEE-CYBMUJFWSA-N 0 3 275.783 3.361 50 0 CGAAHN CS[C@@H](C)CCN(Cc1ccncc1)C1CC1 ZINC000216238860 376161526 /nfs/dbraw/zinc/16/15/26/376161526.db2.gz CZVCPJUZPBVKEX-LBPRGKRZSA-N 0 3 250.411 3.188 50 0 CGAAHN C=Cn1cc(CN[C@@](C)(CC)c2ccccc2)cn1 ZINC000225582868 376316599 /nfs/dbraw/zinc/31/65/99/376316599.db2.gz CYFMMRZXFKFCDE-INIZCTEOSA-N 0 3 255.365 3.399 50 0 CGAAHN CC[C@@H](NCCSC(C)C)c1c(C)nn(C)c1C ZINC000241213422 376776983 /nfs/dbraw/zinc/77/69/83/376776983.db2.gz KOQQWPDGOGYLQY-CYBMUJFWSA-N 0 3 269.458 3.219 50 0 CGAAHN C[C@H](N[C@@H]1CCCC[C@H]1OC1CCCC1)c1cnccn1 ZINC000252486565 377628435 /nfs/dbraw/zinc/62/84/35/377628435.db2.gz LMVASRNFRZVCKW-YSVLISHTSA-N 0 3 289.423 3.398 50 0 CGAAHN CCS[C@@H]1CC[C@@H](N[C@H](C)c2nccnc2C)C1 ZINC000252490106 377631150 /nfs/dbraw/zinc/63/11/50/377631150.db2.gz KJEWUVXLQZGSCP-JHJVBQTASA-N 0 3 265.426 3.110 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)o1 ZINC000090802462 184617499 /nfs/dbraw/zinc/61/74/99/184617499.db2.gz WJYVHESVGMNIEM-KGLIPLIRSA-N 0 3 285.391 3.167 50 0 CGAAHN Cc1nc(CCNCc2cc(F)c(F)c(F)c2)cs1 ZINC000096403754 392249264 /nfs/dbraw/zinc/24/92/64/392249264.db2.gz PIQYPFJVQZPFDE-UHFFFAOYSA-N 0 3 286.322 3.201 50 0 CGAAHN COc1cccc2c1OCCCN(CC[C@@H](C)SC)C2 ZINC000216535792 392990700 /nfs/dbraw/zinc/99/07/00/392990700.db2.gz MSVXQTKDJQFAON-CYBMUJFWSA-N 0 3 295.448 3.421 50 0 CGAAHN CCC[C@@]1(CO)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000585083916 542769005 /nfs/dbraw/zinc/76/90/05/542769005.db2.gz BYCJVCDPIKNPRJ-MRXNPFEDSA-N 0 3 297.826 3.203 50 0 CGAAHN CN(Cc1cc2ccccc2s1)C[C@H]1CCC(=O)O1 ZINC000670449510 543155258 /nfs/dbraw/zinc/15/52/58/543155258.db2.gz DYIHZNYARFWDGS-GFCCVEGCSA-N 0 3 275.373 3.039 50 0 CGAAHN C[C@H](c1cccnc1)N(C)CC1(O)CCC(C)CC1 ZINC000093236638 397642072 /nfs/dbraw/zinc/64/20/72/397642072.db2.gz UKBIRLQQBAEKKG-NPCAHTBFSA-N 0 3 262.397 3.016 50 0 CGAAHN CN(C)CCOC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004006723 289165097 /nfs/dbraw/zinc/16/50/97/289165097.db2.gz AAPUMBJRCFDXLG-UHFFFAOYSA-N 0 3 293.451 3.478 50 0 CGAAHN Cn1nccc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000093003755 165319683 /nfs/dbraw/zinc/31/96/83/165319683.db2.gz PRULGMONHBNQTL-MRXNPFEDSA-N 0 3 269.392 3.190 50 0 CGAAHN CC(=O)c1ccccc1OCCCN1CCC[C@H](C)C1 ZINC000004842210 170028523 /nfs/dbraw/zinc/02/85/23/170028523.db2.gz YOAIVRZPTNNSRI-AWEZNQCLSA-N 0 3 275.392 3.390 50 0 CGAAHN CC[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1 ZINC000004988346 170049310 /nfs/dbraw/zinc/04/93/10/170049310.db2.gz WCAJFGFVCQLWJF-CQSZACIVSA-N 0 3 263.381 3.468 50 0 CGAAHN O[C@H]1CCCN(Cc2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000004986623 170049563 /nfs/dbraw/zinc/04/95/63/170049563.db2.gz UTOJXLPIFGHWPZ-KRWDZBQOSA-N 0 3 279.383 3.215 50 0 CGAAHN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1C ZINC000005936993 170158386 /nfs/dbraw/zinc/15/83/86/170158386.db2.gz YUDQAURYDLVYOF-SFHVURJKSA-N 0 3 296.414 3.336 50 0 CGAAHN COCCNCc1ccccc1OCc1ccc(C)cc1 ZINC000006746064 170238853 /nfs/dbraw/zinc/23/88/53/170238853.db2.gz IBTDZLQECHVGHP-UHFFFAOYSA-N 0 3 285.387 3.310 50 0 CGAAHN CCN1CCN(CCOc2cc(C)ccc2C(C)C)CC1 ZINC000020323707 171150365 /nfs/dbraw/zinc/15/03/65/171150365.db2.gz POMRPBPPXSJLKO-UHFFFAOYSA-N 0 3 290.451 3.135 50 0 CGAAHN N[C@H](c1ccccc1)c1ccccc1Br ZINC000020391314 171180566 /nfs/dbraw/zinc/18/05/66/171180566.db2.gz SPVWGVSMLZCEQX-CYBMUJFWSA-N 0 3 262.150 3.497 50 0 CGAAHN CCN(CC)[C@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC000039975665 174180293 /nfs/dbraw/zinc/18/02/93/174180293.db2.gz DVRWSKFOXYXXDQ-QGZVFWFLSA-N 0 3 288.435 3.376 50 0 CGAAHN CN(C)C[C@@H](CCCO[C@H]1CCCCO1)c1ccccn1 ZINC000044124656 175143685 /nfs/dbraw/zinc/14/36/85/175143685.db2.gz YYCZUUUEUWNRIS-WBVHZDCISA-N 0 3 292.423 3.050 50 0 CGAAHN Cc1ccsc1CNC[C@@H](O)c1ccc(F)cc1F ZINC000044917839 175276844 /nfs/dbraw/zinc/27/68/44/175276844.db2.gz PLBBGRTUJSWNMB-CYBMUJFWSA-N 0 3 283.343 3.158 50 0 CGAAHN CN(C(=O)CCCC1CCCCC1)C1CCN(C)CC1 ZINC000046468460 175397058 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LMVASRNFRZVCKW-QRTARXTBSA-N 0 3 289.423 3.398 50 0 CGAAHN CCCc1ccc(CN2CCC[C@@H](COC)C2)o1 ZINC000215775675 376152339 /nfs/dbraw/zinc/15/23/39/376152339.db2.gz BUQXONFKMGMMSE-CYBMUJFWSA-N 0 3 251.370 3.091 50 0 CGAAHN Cc1cc(CN2CCCC[C@H]2CCc2ccccn2)on1 ZINC000215954928 376154802 /nfs/dbraw/zinc/15/48/02/376154802.db2.gz XGRJZAZAWMYZTP-INIZCTEOSA-N 0 3 285.391 3.365 50 0 CGAAHN CC(C)[C@@H]1CCCN(Cc2cnc(N(C)C)s2)CC1 ZINC000539827681 376337642 /nfs/dbraw/zinc/33/76/42/376337642.db2.gz RGZANIGKZOORPD-CYBMUJFWSA-N 0 3 281.469 3.467 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2cscn2)C1 ZINC000229315769 376460123 /nfs/dbraw/zinc/46/01/23/376460123.db2.gz KTSBNYMMGPYILQ-UKRRQHHQSA-N 0 3 287.432 3.068 50 0 CGAAHN C[C@@H](N)C(=O)N([C@@H](C)c1ccc2ccccc2c1)C1CC1 ZINC000237444038 376742311 /nfs/dbraw/zinc/74/23/11/376742311.db2.gz JRHLZCKNHGHUTM-OLZOCXBDSA-N 0 3 282.387 3.239 50 0 CGAAHN Fc1cccc([C@@H]2CCCCN2CCc2cn[nH]c2)c1 ZINC000244899933 376798930 /nfs/dbraw/zinc/79/89/30/376798930.db2.gz ZTFWSHUQDGZTED-INIZCTEOSA-N 0 3 273.355 3.319 50 0 CGAAHN Cc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)o1 ZINC000248705092 377384719 /nfs/dbraw/zinc/38/47/19/377384719.db2.gz HICNCZLMQPSFKT-DDHJSBNISA-N 0 3 261.365 3.196 50 0 CGAAHN Cc1cncc(CN2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000253431075 377694245 /nfs/dbraw/zinc/69/42/45/377694245.db2.gz ZIDVCOMOLBXBGB-QGZVFWFLSA-N 0 3 292.386 3.187 50 0 CGAAHN Cc1cccc([C@H](C)NC(=O)C23CCCN2CCC3)c1C ZINC000253404719 377688586 /nfs/dbraw/zinc/68/85/86/377688586.db2.gz PWDDBDCMTNIMEV-HNNXBMFYSA-N 0 3 286.419 3.109 50 0 CGAAHN c1ccc2c(c1)SCC[C@H]2NCCOc1cccnc1 ZINC000095422454 184976488 /nfs/dbraw/zinc/97/64/88/184976488.db2.gz UMBMUPOSUZZNJK-OAHLLOKOSA-N 0 3 286.400 3.287 50 0 CGAAHN C[C@H]1CC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000757179 391911028 /nfs/dbraw/zinc/91/10/28/391911028.db2.gz MVZYFQAJTIFKAW-UONOGXRCSA-N 0 3 262.372 3.136 50 0 CGAAHN C/C=C1/CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccccc21 ZINC000075343946 392216506 /nfs/dbraw/zinc/21/65/06/392216506.db2.gz TWRIMOCPODQOBZ-JQZVAUCNSA-N 0 3 294.398 3.309 50 0 CGAAHN COc1cccc([C@@H]2C[C@H](C)CN2Cc2cnn(C)c2)c1 ZINC000328587289 392676398 /nfs/dbraw/zinc/67/63/98/392676398.db2.gz VYHBPWSGRZIAMS-GUYCJALGSA-N 0 3 285.391 3.012 50 0 CGAAHN Cc1cc(CN2CCC3(CCc4ccccc43)CC2)on1 ZINC000216529794 392991300 /nfs/dbraw/zinc/99/13/00/392991300.db2.gz WXVCCCDHUYLVHA-UHFFFAOYSA-N 0 3 282.387 3.463 50 0 CGAAHN Cc1nn(C)c(C)c1CN1CCC[C@@H](CC(F)(F)F)C1 ZINC000420940969 393550144 /nfs/dbraw/zinc/55/01/44/393550144.db2.gz FAUVIRFFLISGMS-LBPRGKRZSA-N 0 3 289.345 3.201 50 0 CGAAHN CN(Cc1cc2cc(F)ccc2[nH]1)C[C@@H]1CCCCO1 ZINC000670455856 543155875 /nfs/dbraw/zinc/15/58/75/543155875.db2.gz NUVVYCURFCOBOO-HNNXBMFYSA-N 0 3 276.355 3.308 50 0 CGAAHN CCC(=O)c1ccc(OCCN2CCC(C)CC2)cc1 ZINC000004842945 170028736 /nfs/dbraw/zinc/02/87/36/170028736.db2.gz GHRKLZXKEBBDNY-UHFFFAOYSA-N 0 3 275.392 3.390 50 0 CGAAHN Cc1cc(NC(=O)[C@H](NC2CCCC2)c2ccccc2)no1 ZINC000008704327 170347728 /nfs/dbraw/zinc/34/77/28/170347728.db2.gz QPMAHIHRLOICCH-MRXNPFEDSA-N 0 3 299.374 3.195 50 0 CGAAHN CCN1CCN(CCCCOc2ccc(Cl)cc2)CC1 ZINC000020322793 171150216 /nfs/dbraw/zinc/15/02/16/171150216.db2.gz CJEOJSKCWLJVIA-UHFFFAOYSA-N 0 3 296.842 3.137 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000022752155 171397471 /nfs/dbraw/zinc/39/74/71/171397471.db2.gz FPUWCTVNLWJALX-HNNXBMFYSA-N 0 3 286.375 3.093 50 0 CGAAHN CCCNC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 ZINC000038857460 174158301 /nfs/dbraw/zinc/15/83/01/174158301.db2.gz NGFGKZVIEZDGOT-CQSZACIVSA-N 0 3 294.826 3.078 50 0 CGAAHN CN(C)Cc1ccccc1NC(=O)CSC(C)(C)C ZINC000040089011 174188763 /nfs/dbraw/zinc/18/87/63/174188763.db2.gz QLUOQXVISKKSOR-UHFFFAOYSA-N 0 3 280.437 3.218 50 0 CGAAHN Cc1ccc(CN(CCN(C)C)Cc2ccncc2)s1 ZINC000063869487 175689237 /nfs/dbraw/zinc/68/92/37/175689237.db2.gz QLOYROLJKJXZFX-UHFFFAOYSA-N 0 3 289.448 3.015 50 0 CGAAHN c1ncn(Cc2ccccc2)c1CN1C[C@@H]2CC=CC[C@@H]2C1 ZINC000072156569 176328886 /nfs/dbraw/zinc/32/88/86/176328886.db2.gz FMQMLVZHZKVZSR-HDICACEKSA-N 0 3 293.414 3.329 50 0 CGAAHN CC=CC=CC(=O)C(C#N)c1nc2ccccc2o1 ZINC000049005395 416463141 /nfs/dbraw/zinc/46/31/41/416463141.db2.gz CJGUFQRQTZTHRV-YLQBLWJDSA-N 0 3 252.273 3.136 50 0 CGAAHN CC(=O)Nc1ccc2c(c1)[C@H](N(C)C)c1ccccc1-2 ZINC000004759622 273494597 /nfs/dbraw/zinc/49/45/97/273494597.db2.gz ZHDGDMCGQFDHLP-QGZVFWFLSA-N 0 3 266.344 3.276 50 0 CGAAHN C[C@@H](COc1ccccc1)NCc1[nH]nc2c1CCCCC2 ZINC000067695667 274228948 /nfs/dbraw/zinc/22/89/48/274228948.db2.gz OZGJMHTYFHKSKE-AWEZNQCLSA-N 0 3 299.418 3.236 50 0 CGAAHN C[C@@H](COc1ccccc1)NCc1n[nH]c2c1CCCCC2 ZINC000067695667 274228950 /nfs/dbraw/zinc/22/89/50/274228950.db2.gz OZGJMHTYFHKSKE-AWEZNQCLSA-N 0 3 299.418 3.236 50 0 CGAAHN CC(C)(C)c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000005049854 275537127 /nfs/dbraw/zinc/53/71/27/275537127.db2.gz ZTNWSXRYBYWHTL-OAHLLOKOSA-N 0 3 291.435 3.210 50 0 CGAAHN CCN(CC)CCOC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004198696 276327630 /nfs/dbraw/zinc/32/76/30/276327630.db2.gz LDSMODRRVLYMDS-UHFFFAOYSA-N 0 3 279.424 3.088 50 0 CGAAHN CCS[C@@H]1CC[C@@H](N(C)Cc2ccncc2)C1 ZINC000076071625 276399391 /nfs/dbraw/zinc/39/93/91/276399391.db2.gz GIOBTQUXEFLFNA-ZIAGYGMSSA-N 0 3 250.411 3.188 50 0 CGAAHN CSC1(CN2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000335444345 278123968 /nfs/dbraw/zinc/12/39/68/278123968.db2.gz HETHBOQHUXYXJY-INIZCTEOSA-N 0 3 275.417 3.013 50 0 CGAAHN CCCC[C@H](CC)[C@@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004094090 278733534 /nfs/dbraw/zinc/73/35/34/278733534.db2.gz ZPDBNCKBKRZZEB-HRCADAONSA-N 0 3 269.429 3.430 50 0 CGAAHN CCS[C@@H]1CC[C@H](N[C@@H](C)c2nccnc2C)C1 ZINC000219171432 280052814 /nfs/dbraw/zinc/05/28/14/280052814.db2.gz KJEWUVXLQZGSCP-RWMBFGLXSA-N 0 3 265.426 3.110 50 0 CGAAHN Cc1cc(C)n(C[C@@H](C)CN[C@@H](C)c2ccco2)n1 ZINC000089594069 301239992 /nfs/dbraw/zinc/23/99/92/301239992.db2.gz VDFWCLFEXXXHRP-FZMZJTMJSA-N 0 3 261.369 3.080 50 0 CGAAHN Cc1c[nH]c([C@@H](C)NC2CCN(c3ccc(C)cc3)CC2)n1 ZINC000534637889 328334698 /nfs/dbraw/zinc/33/46/98/328334698.db2.gz XHLXQLDTBMSNRP-OAHLLOKOSA-N 0 3 298.434 3.346 50 0 CGAAHN C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984675 629721712 /nfs/dbraw/zinc/72/17/12/629721712.db2.gz YNYIZDSUTPASDS-STQMWFEESA-N 0 3 291.420 3.224 50 0 CGAAHN Cc1nnc([C@@H](C)NC2CCC3(CC3(F)F)CC2)s1 ZINC000952993169 636778260 /nfs/dbraw/zinc/77/82/60/636778260.db2.gz QCFVFIDPMLBEPW-DUACVJHASA-N 0 3 287.379 3.465 50 0 CGAAHN Cc1nc[nH]c1CN1CCC(Cc2ccccc2)CC1 ZINC000000757532 640927297 /nfs/dbraw/zinc/92/72/97/640927297.db2.gz OSOFZFOWRMUVFU-UHFFFAOYSA-N 0 3 269.392 3.173 50 0 CGAAHN CC[C@@H](C(=O)NCCc1cccc2ccccc21)N(C)CC ZINC000822555135 800461491 /nfs/dbraw/zinc/46/14/91/800461491.db2.gz XDBIQYUDDUJIMA-SFHVURJKSA-N 0 3 298.430 3.229 50 0 CGAAHN CCc1nccn1C[C@H](C)NCc1cc(F)c(F)cc1F ZINC001506399899 937989691 /nfs/dbraw/zinc/98/96/91/937989691.db2.gz RMFHSOXLKHKAAM-JTQLQIEISA-N 0 3 297.324 3.041 50 0 CGAAHN COc1ccc2c(C)cc(N[C@@H](C)c3n[nH]c(C)n3)nc2c1 ZINC001506409852 937989894 /nfs/dbraw/zinc/98/98/94/937989894.db2.gz UTGIUGAQYAHLGN-JTQLQIEISA-N 0 3 297.362 3.151 50 0 CGAAHN Cc1cc([C@@H](C)N[C@@H]2CCN(CC(F)(F)F)C2)c(C)o1 ZINC000095967527 185047126 /nfs/dbraw/zinc/04/71/26/185047126.db2.gz ZIPLSLTWDCFCKV-ZYHUDNBSSA-N 0 3 290.329 3.184 50 0 CGAAHN CCS[C@H]1CC[C@H](NCc2c(C)noc2C)C1 ZINC000095990122 185057388 /nfs/dbraw/zinc/05/73/88/185057388.db2.gz ZBMYZPVYYMFPQW-RYUDHWBXSA-N 0 3 254.399 3.055 50 0 CGAAHN CC[C@H]1CN(CC(C)C)Cc2cc(OC)ccc2O1 ZINC000012162170 344879143 /nfs/dbraw/zinc/87/91/43/344879143.db2.gz URFKOBXYPHHVOJ-AWEZNQCLSA-N 0 3 263.381 3.324 50 0 CGAAHN CC(C)C(=O)N1CC[C@@H](N[C@H](C)c2cccc(Cl)c2)C1 ZINC000097227985 345907550 /nfs/dbraw/zinc/90/75/50/345907550.db2.gz AOOXYNSCVMJKET-IUODEOHRSA-N 0 3 294.826 3.248 50 0 CGAAHN c1ccc([C@@H](NCCC2=CCOCC2)c2ccccn2)cc1 ZINC000097233928 345907656 /nfs/dbraw/zinc/90/76/56/345907656.db2.gz CAIBQWFKUBKBMK-LJQANCHMSA-N 0 3 294.398 3.497 50 0 CGAAHN CC(C)C(=O)N1CC[C@H](N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000097227981 345908051 /nfs/dbraw/zinc/90/80/51/345908051.db2.gz AOOXYNSCVMJKET-WFASDCNBSA-N 0 3 294.826 3.248 50 0 CGAAHN COCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000113081663 345959603 /nfs/dbraw/zinc/95/96/03/345959603.db2.gz UZMOKQUZHHAIAG-UHFFFAOYSA-N 0 3 267.372 3.354 50 0 CGAAHN O=C(CN1CCC[C@H]1C1CCC1)NC1CCCCCCC1 ZINC000170621004 346195724 /nfs/dbraw/zinc/19/57/24/346195724.db2.gz BVAMRUIOULBDSR-KRWDZBQOSA-N 0 3 292.467 3.480 50 0 CGAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000248136963 346374311 /nfs/dbraw/zinc/37/43/11/346374311.db2.gz OWAIIRRCFFIFEC-LSDHHAIUSA-N 0 3 292.810 3.039 50 0 CGAAHN O[C@@H]1CC[C@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000601012553 347852028 /nfs/dbraw/zinc/85/20/28/347852028.db2.gz KZHPUOOVICRESI-QZTJIDSGSA-N 0 3 267.372 3.212 50 0 CGAAHN Cc1cccc(CN[C@@H](C)c2cc[nH]c(=O)c2)c1C ZINC000339459553 215185838 /nfs/dbraw/zinc/18/58/38/215185838.db2.gz AJCZPRPWFDJIHG-ZDUSSCGKSA-N 0 3 256.349 3.255 50 0 CGAAHN Cn1c(CN2CC[C@](C)(O)C(C)(C)C2)cc2ccccc21 ZINC000091326057 180135160 /nfs/dbraw/zinc/13/51/60/180135160.db2.gz GBBOHUQMCNFZAX-SFHVURJKSA-N 0 3 286.419 3.161 50 0 CGAAHN CCc1ccc(CN2CC[C@@H](Cc3ccc(CO)cc3)C2)o1 ZINC000091504553 180176099 /nfs/dbraw/zinc/17/60/99/180176099.db2.gz WCTOEOAEQILLOJ-KRWDZBQOSA-N 0 3 299.414 3.399 50 0 CGAAHN Cc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 ZINC000000256669 368325873 /nfs/dbraw/zinc/32/58/73/368325873.db2.gz RTIXNDCLLAJULP-UHFFFAOYSA-N 0 3 294.398 3.382 50 0 CGAAHN O[C@@H](COc1ccc2ccccc2c1)CN1CCCCC1 ZINC000000285838 368333168 /nfs/dbraw/zinc/33/31/68/368333168.db2.gz XPIQAAHSQFWBDD-QGZVFWFLSA-N 0 3 285.387 3.065 50 0 CGAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(CC)cc2)C1 ZINC000000291985 368334834 /nfs/dbraw/zinc/33/48/34/368334834.db2.gz KQZWBIAMOJVZGT-MRXNPFEDSA-N 0 3 275.392 3.024 50 0 CGAAHN COc1ccc(OCCN(C)Cc2ccccc2)cc1 ZINC000000311699 368339541 /nfs/dbraw/zinc/33/95/41/368339541.db2.gz GEHLCXBOLCJOMP-UHFFFAOYSA-N 0 3 271.360 3.206 50 0 CGAAHN O[C@H]1CCC[C@]1(NCc1ccccc1)c1ccccc1 ZINC000000337410 368343099 /nfs/dbraw/zinc/34/30/99/368343099.db2.gz SUUCMHHUDJQGKG-ROUUACIJSA-N 0 3 267.372 3.217 50 0 CGAAHN Cc1ccc2oc(=O)cc(CN3CCCCC3)c2c1 ZINC000002125002 368447324 /nfs/dbraw/zinc/44/73/24/368447324.db2.gz PEECVRVLAKJKOM-UHFFFAOYSA-N 0 3 257.333 3.087 50 0 biogenic CGAAHN CCN(CC)CCOC(=O)Nc1ccccc1Cl ZINC000001671724 368428906 /nfs/dbraw/zinc/42/89/06/368428906.db2.gz PKVILUPAKVSWTN-UHFFFAOYSA-N 0 3 270.760 3.230 50 0 CGAAHN CCNCC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000002638905 368471289 /nfs/dbraw/zinc/47/12/89/368471289.db2.gz WVDCPLRFSIIWDP-UHFFFAOYSA-N 0 3 270.332 3.027 50 0 CGAAHN CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000002694396 368472352 /nfs/dbraw/zinc/47/23/52/368472352.db2.gz GSORGCKTOGAQPD-JKSUJKDBSA-N 0 3 291.435 3.426 50 0 CGAAHN Cc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1 ZINC000002432494 368454821 /nfs/dbraw/zinc/45/48/21/368454821.db2.gz JAXZGSCJCFIZPA-UHFFFAOYSA-N 0 3 271.360 3.333 50 0 CGAAHN CN1CCC(c2cccc(Cl)c2)(C(C)(C)O)CC1 ZINC000002529361 368461545 /nfs/dbraw/zinc/46/15/45/368461545.db2.gz YVXGBNBBVKVMIA-UHFFFAOYSA-N 0 3 267.800 3.074 50 0 CGAAHN O[C@H](CNCc1ccccc1Cl)c1ccccc1 ZINC000016477532 368713374 /nfs/dbraw/zinc/71/33/74/368713374.db2.gz SQSICFBIMOMLFW-OAHLLOKOSA-N 0 3 261.752 3.163 50 0 CGAAHN Cn1cc(CN2CCCC[C@H]2CCc2cccs2)cn1 ZINC000019842225 368771767 /nfs/dbraw/zinc/77/17/67/368771767.db2.gz JCOYDMXAJOSYHJ-HNNXBMFYSA-N 0 3 289.448 3.469 50 0 CGAAHN CCOc1cc(CN2CCC[C@@H](C)C2)ccc1OC ZINC000023281441 368820282 /nfs/dbraw/zinc/82/02/82/368820282.db2.gz GWTMSMICFDELKP-CYBMUJFWSA-N 0 3 263.381 3.326 50 0 CGAAHN C[C@@H](CCO)N(Cc1ccccc1)Cc1ccccc1 ZINC000032254338 368929331 /nfs/dbraw/zinc/92/93/31/368929331.db2.gz FPUVNQMAVOHHKI-INIZCTEOSA-N 0 3 269.388 3.460 50 0 CGAAHN CC(C)C[C@H](CN(C)C)NC(=O)Nc1ccc(Cl)cc1 ZINC000032934686 368953929 /nfs/dbraw/zinc/95/39/29/368953929.db2.gz IQHNUCHWNOCUPF-CQSZACIVSA-N 0 3 297.830 3.438 50 0 CGAAHN C[C@@H](CNC(=O)c1cc2ccccc2s1)N1CCCC1 ZINC000042505139 369222904 /nfs/dbraw/zinc/22/29/04/369222904.db2.gz VHAPNGQSMAMWEF-LBPRGKRZSA-N 0 3 288.416 3.115 50 0 CGAAHN CCOc1ccc(CN(C)C[C@H]2CCCCO2)cc1 ZINC000042976521 369239683 /nfs/dbraw/zinc/23/96/83/369239683.db2.gz IHXKBQYVVCYEDZ-MRXNPFEDSA-N 0 3 263.381 3.086 50 0 CGAAHN Clc1cccc(CN2CCC[C@@H](Cn3ccnc3)C2)c1 ZINC000065372722 369669621 /nfs/dbraw/zinc/66/96/21/369669621.db2.gz JNLKKOQNPSADFI-OAHLLOKOSA-N 0 3 289.810 3.449 50 0 CGAAHN OCc1ccc(CN2CCC[C@H](c3ccccc3)C2)o1 ZINC000065453227 369676950 /nfs/dbraw/zinc/67/69/50/369676950.db2.gz DVFUPLJYDUYLAO-HNNXBMFYSA-N 0 3 271.360 3.152 50 0 CGAAHN COC(C)(C)C[C@@H](C)NCc1nc2cc(C)c(C)cc2[nH]1 ZINC000067982081 369738722 /nfs/dbraw/zinc/73/87/22/369738722.db2.gz KFHOIRSEBOYTIH-CYBMUJFWSA-N 0 3 289.423 3.473 50 0 CGAAHN Cc1cccc([C@@H](O)CN[C@H](C)c2cnn(C(C)C)c2)c1 ZINC000090521420 370062225 /nfs/dbraw/zinc/06/22/25/370062225.db2.gz RZNLSORPQKBZDN-PBHICJAKSA-N 0 3 287.407 3.157 50 0 CGAAHN COc1ccc([C@H]2CCN(Cc3scnc3C)C2)cc1 ZINC000092783596 370099715 /nfs/dbraw/zinc/09/97/15/370099715.db2.gz HKBHYKLWCMGPCY-AWEZNQCLSA-N 0 3 288.416 3.450 50 0 CGAAHN C[C@@]1(CO)CCCN(Cc2cc3ccccc3s2)C1 ZINC000093340625 370118489 /nfs/dbraw/zinc/11/84/89/370118489.db2.gz PJBWSQNRVSLZBP-MRXNPFEDSA-N 0 3 275.417 3.496 50 0 CGAAHN C[C@@H](NCCSCc1ccccc1)c1cnccn1 ZINC000095419424 370186630 /nfs/dbraw/zinc/18/66/30/370186630.db2.gz PBJSWYNMBQIZBF-CYBMUJFWSA-N 0 3 273.405 3.061 50 0 CGAAHN Cc1ncsc1CN[C@@H](C)C[C@H](O)c1cccs1 ZINC000095448931 370195398 /nfs/dbraw/zinc/19/53/98/370195398.db2.gz SNWVKMPOUHWWDZ-ONGXEEELSA-N 0 3 282.434 3.115 50 0 CGAAHN CN1CCCC[C@@H]1C(=O)N(C/C=C/c1ccccc1)C1CC1 ZINC000097773105 370255002 /nfs/dbraw/zinc/25/50/02/370255002.db2.gz OMQHEEQZFGCJFO-RUJXFNLJSA-N 0 3 298.430 3.175 50 0 CGAAHN CC(C)n1cc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000134786876 371363723 /nfs/dbraw/zinc/36/37/23/371363723.db2.gz KHBKKIATPQCVTG-HNKHHVNMSA-N 0 3 289.423 3.072 50 0 CGAAHN CC[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1F ZINC000161703169 372347658 /nfs/dbraw/zinc/34/76/58/372347658.db2.gz IJMPVBHJGLGVJY-GXFFZTMASA-N 0 3 298.789 3.141 50 0 CGAAHN Cc1nnc([C@@H](C)SCCN(C)Cc2ccccc2)o1 ZINC000193621772 375901125 /nfs/dbraw/zinc/90/11/25/375901125.db2.gz WFVZZPHKCPIXDU-GFCCVEGCSA-N 0 3 291.420 3.304 50 0 CGAAHN CCCc1ccc(CN2CCC[C@H](COC)C2)o1 ZINC000215775629 376152139 /nfs/dbraw/zinc/15/21/39/376152139.db2.gz BUQXONFKMGMMSE-ZDUSSCGKSA-N 0 3 251.370 3.091 50 0 CGAAHN COc1cccc([C@H]2CCN2CCCc2cccnc2)c1 ZINC000244758139 376795479 /nfs/dbraw/zinc/79/54/79/376795479.db2.gz OTBXSZLHHSOOFK-GOSISDBHSA-N 0 3 282.387 3.470 50 0 CGAAHN CC(C)c1cc(CN(C)C2CCSCC2)on1 ZINC000244594312 376792364 /nfs/dbraw/zinc/79/23/64/376792364.db2.gz DKUIYSKBGSGRGC-UHFFFAOYSA-N 0 3 254.399 3.125 50 0 CGAAHN CC(C)N1CCC(F)(c2nc(-c3ccccc3)no2)CC1 ZINC000253408454 377688899 /nfs/dbraw/zinc/68/88/99/377688899.db2.gz KTBPJAKBRRFUHV-UHFFFAOYSA-N 0 3 289.354 3.406 50 0 CGAAHN CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1sccc1C ZINC000253598339 377700890 /nfs/dbraw/zinc/70/08/90/377700890.db2.gz IOPGFDMOEJNSMP-UONOGXRCSA-N 0 3 292.448 3.145 50 0 CGAAHN COc1ccc([C@@H]([NH2+]Cc2ncccc2[O-])C(C)C)cc1 ZINC000408516871 380014715 /nfs/dbraw/zinc/01/47/15/380014715.db2.gz IFFYSLBKRCIDFL-KRWDZBQOSA-N 0 3 286.375 3.283 50 0 CGAAHN Cc1ccccc1Cc1noc(C2CCN(C3CC3)CC2)n1 ZINC000283992491 380113563 /nfs/dbraw/zinc/11/35/63/380113563.db2.gz PTJCKYSFTPFNOR-UHFFFAOYSA-N 0 3 297.402 3.311 50 0 CGAAHN c1coc([C@@H](CNCc2cccs2)N2CCCC2)c1 ZINC000022933769 391945883 /nfs/dbraw/zinc/94/58/83/391945883.db2.gz KEFZJRAOQGSDAX-CQSZACIVSA-N 0 3 276.405 3.268 50 0 CGAAHN CCOc1ccc(Cl)cc1CNC[C@@H]1CCCO1 ZINC000004488529 169971721 /nfs/dbraw/zinc/97/17/21/169971721.db2.gz BBPXUZVSPYKSTK-ZDUSSCGKSA-N 0 3 269.772 3.007 50 0 CGAAHN COc1cccc(NC(=O)[C@@H](NC(C)C)c2ccccc2)c1 ZINC000007376289 170280295 /nfs/dbraw/zinc/28/02/95/170280295.db2.gz ZHXFOZQKJITPKI-KRWDZBQOSA-N 0 3 298.386 3.373 50 0 CGAAHN Cn1c2ccccc2nc1SCCN1CCCCC1 ZINC000007719486 170299170 /nfs/dbraw/zinc/29/91/70/170299170.db2.gz DYFHBOIDULUVED-UHFFFAOYSA-N 0 3 275.421 3.151 50 0 CGAAHN CCCCN1C(=O)C2=C(CCCC2)[C@H]1NCCC(C)C ZINC000020158375 171040040 /nfs/dbraw/zinc/04/00/40/171040040.db2.gz YXVGUEWUPZIDOM-INIZCTEOSA-N 0 3 278.440 3.461 50 0 CGAAHN Cc1[nH]c2c(cc(F)cc2CNc2cc(C)nc(N)n2)c1C ZINC000071747870 176258745 /nfs/dbraw/zinc/25/87/45/176258745.db2.gz OCDONXKGUDFMQW-UHFFFAOYSA-N 0 3 299.353 3.217 50 0 CGAAHN CCn1ncc2c1CCC[C@@H]2NCc1ccc(C)s1 ZINC000072298388 176364111 /nfs/dbraw/zinc/36/41/11/176364111.db2.gz LIQDXUARVQUJIB-AWEZNQCLSA-N 0 3 275.421 3.440 50 0 CGAAHN C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757559 260127940 /nfs/dbraw/zinc/12/79/40/260127940.db2.gz LAEGLZHANONKKC-YVEFUNNKSA-N 0 3 298.361 3.430 50 0 CGAAHN CN(C)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000029954104 260139537 /nfs/dbraw/zinc/13/95/37/260139537.db2.gz SBPMPJSPUMQJFG-UHFFFAOYSA-N 0 3 272.323 3.140 50 0 CGAAHN CC(C)(C)OC(=O)N1CCCN(CC2(C)CCC2)CC1 ZINC000225578715 277183246 /nfs/dbraw/zinc/18/32/46/277183246.db2.gz DVPDERFZIFJRKM-UHFFFAOYSA-N 0 3 282.428 3.119 50 0 CGAAHN CC(C)CN(CC(C)C)Cn1c2ccccc2oc1=O ZINC000000174948 277377436 /nfs/dbraw/zinc/37/74/36/277377436.db2.gz KJGMUYJTEXTBSS-UHFFFAOYSA-N 0 3 276.380 3.166 50 0 biogenic CGAAHN CCCn1ncnc1[C@H](C)NC1CCCCCC1 ZINC000534642920 328329081 /nfs/dbraw/zinc/32/90/81/328329081.db2.gz ORUZVISUMNNFGF-LBPRGKRZSA-N 0 3 250.390 3.062 50 0 CGAAHN COc1ccc(C)cc1[C@@H](C)NCC[S@@](=O)C(C)(C)C ZINC000096477837 329526772 /nfs/dbraw/zinc/52/67/72/329526772.db2.gz ZWIFFOHVYUTKKT-XCLFUZPHSA-N 0 3 297.464 3.201 50 0 CGAAHN CC/C=C(\C)C(=O)Nc1ccc(C)cc1OCCN(C)C ZINC000098012609 528767087 /nfs/dbraw/zinc/76/70/87/528767087.db2.gz ZGPJMHNWVBEBJJ-VGOFMYFVSA-N 0 3 290.407 3.230 50 0 CGAAHN CCS[C@H]1CC[C@@H](N(C)Cc2ccccn2)C1 ZINC000096441701 529233115 /nfs/dbraw/zinc/23/31/15/529233115.db2.gz BONGIWSGQOJMKQ-KGLIPLIRSA-N 0 3 250.411 3.188 50 0 CGAAHN CN(C)CC[C@](O)(c1c[nH]c2ccccc21)c1ccccc1 ZINC000001852534 567929200 /nfs/dbraw/zinc/92/92/00/567929200.db2.gz LZAVFMHBBSGJAL-LJQANCHMSA-N 0 3 294.398 3.356 50 0 CGAAHN C/C=C1/CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccccc21 ZINC000253531851 570387502 /nfs/dbraw/zinc/38/75/02/570387502.db2.gz TWRIMOCPODQOBZ-RALSNMQTSA-N 0 3 294.398 3.309 50 0 CGAAHN Cc1ccc(C)c(CSC2=NN/C(=C3/C=CC=N3)O2)c1 ZINC000105270438 638168893 /nfs/dbraw/zinc/16/88/93/638168893.db2.gz GAZVXLVGTLQICJ-BUHFOSPRSA-N 0 3 285.372 3.237 50 0 CGAAHN Cc1cc2nc(CN(C)CC3CCOCC3)[nH]c2cc1C ZINC000019773759 641038122 /nfs/dbraw/zinc/03/81/22/641038122.db2.gz NMEYIRUXCMDFEE-UHFFFAOYSA-N 0 3 287.407 3.038 50 0 CGAAHN Cc1ccccc1NC(=O)CN(C)C1CCCCC1 ZINC000007786536 230370163 /nfs/dbraw/zinc/37/01/63/230370163.db2.gz WAKZCQISEFTWBN-UHFFFAOYSA-N 0 3 260.381 3.198 50 0 CGAAHN CS[C@H]1CCC[C@H]1N(C)Cc1cn2ccccc2n1 ZINC000096441751 230373269 /nfs/dbraw/zinc/37/32/69/230373269.db2.gz IPYKMTAWIGWYEB-KGLIPLIRSA-N 0 3 275.421 3.050 50 0 CGAAHN Cc1cnc(CN[C@@H]2CCc3ccccc3C2)s1 ZINC000096478611 230380054 /nfs/dbraw/zinc/38/00/54/230380054.db2.gz YTANIJOVRGPWCR-CQSZACIVSA-N 0 3 258.390 3.099 50 0 CGAAHN Cc1noc(C)c1CN[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000096486384 230381872 /nfs/dbraw/zinc/38/18/72/230381872.db2.gz VODFCTBRBOVMEJ-QLJPJBMISA-N 0 3 292.354 3.032 50 0 CGAAHN CCOc1ccccc1CN(C)CCCOC(C)C ZINC000095947684 185038379 /nfs/dbraw/zinc/03/83/79/185038379.db2.gz AKGZCZJVHSBTML-UHFFFAOYSA-N 0 3 265.397 3.332 50 0 CGAAHN CSC[C@H](CCO)N[C@@H](C)c1ccc(F)cc1Cl ZINC000095968358 185046869 /nfs/dbraw/zinc/04/68/69/185046869.db2.gz VJXIMLANCGEADC-ONGXEEELSA-N 0 3 291.819 3.244 50 0 CGAAHN CN(CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000007786632 529838892 /nfs/dbraw/zinc/83/88/92/529838892.db2.gz BLGBYVCPIQRNRQ-UHFFFAOYSA-N 0 3 264.344 3.029 50 0 CGAAHN CCNC1(C(=O)c2cn(C)c3ccccc23)CCCC1 ZINC000034222357 344938134 /nfs/dbraw/zinc/93/81/34/344938134.db2.gz MKBWQGQEEZASAG-UHFFFAOYSA-N 0 3 270.376 3.283 50 0 CGAAHN CC(C)C(=O)N1CC[C@@H](N[C@@H](C)c2cccc(Cl)c2)C1 ZINC000097227983 345907965 /nfs/dbraw/zinc/90/79/65/345907965.db2.gz AOOXYNSCVMJKET-SWLSCSKDSA-N 0 3 294.826 3.248 50 0 CGAAHN Clc1ccc2[nH]c(CN[C@H]3CCCSC3)nc2c1 ZINC000584892206 346722261 /nfs/dbraw/zinc/72/22/61/346722261.db2.gz MYODGGXHFAAXIY-JTQLQIEISA-N 0 3 281.812 3.202 50 0 CGAAHN Clc1ccc2nc(CN[C@H]3CCCSC3)[nH]c2c1 ZINC000584892206 346722263 /nfs/dbraw/zinc/72/22/63/346722263.db2.gz MYODGGXHFAAXIY-JTQLQIEISA-N 0 3 281.812 3.202 50 0 CGAAHN C[C@H](CC(F)(F)F)NCc1nc2ccc(F)cc2[nH]1 ZINC000584903021 346723817 /nfs/dbraw/zinc/72/38/17/346723817.db2.gz CCCTUTOGGDOWAW-SSDOTTSWSA-N 0 3 275.249 3.133 50 0 CGAAHN Cc1nccn1-c1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000086279101 179262684 /nfs/dbraw/zinc/26/26/84/179262684.db2.gz GUGVXXYYIJHZKB-AWEZNQCLSA-N 0 3 292.386 3.427 50 0 CGAAHN C[C@@H](C(=O)NCCCCC(F)(F)F)N1[C@H](C)CC[C@H]1C ZINC000089922765 179883842 /nfs/dbraw/zinc/88/38/42/179883842.db2.gz WVSNVCZQYJEMDG-UTUOFQBUSA-N 0 3 294.361 3.097 50 0 CGAAHN C[C@@]1(c2ccccc2)CCCN(Cc2cncnc2)C1 ZINC000091876560 180278698 /nfs/dbraw/zinc/27/86/98/180278698.db2.gz XGTDZQKTVOCKIQ-QGZVFWFLSA-N 0 3 267.376 3.030 50 0 CGAAHN Cc1cnn([C@H]2CCCN(Cc3cccs3)C2)c1 ZINC000123001542 187064896 /nfs/dbraw/zinc/06/48/96/187064896.db2.gz NCWNYHZOWQYNCF-ZDUSSCGKSA-N 0 3 261.394 3.090 50 0 CGAAHN CCC[C@](C)(N)C(=O)N[C@@H](C)c1cc(C)sc1C ZINC000037621672 284004842 /nfs/dbraw/zinc/00/48/42/284004842.db2.gz DEPBSPZANBXPOQ-HZMBPMFUSA-N 0 3 268.426 3.060 50 0 CGAAHN C[C@H](NCC1OCc2ccccc2CO1)c1ccccc1 ZINC000000203091 368314056 /nfs/dbraw/zinc/31/40/56/368314056.db2.gz KULBLLSSWZJGPL-AWEZNQCLSA-N 0 3 283.371 3.410 50 0 CGAAHN O[C@](c1cccs1)(c1ccccc1)[C@H]1CN2CCC1CC2 ZINC000000204007 368315396 /nfs/dbraw/zinc/31/53/96/368315396.db2.gz IPKLUCDIJUDRKF-FUHWJXTLSA-N 0 3 299.439 3.326 50 0 CGAAHN COc1c(Cl)cc(Cl)cc1CNC[C@H]1CCCO1 ZINC000000360054 368348012 /nfs/dbraw/zinc/34/80/12/368348012.db2.gz SYUVCJPLLLRCOY-LLVKDONJSA-N 0 3 290.190 3.271 50 0 CGAAHN Cc1cccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@@H](C)C2)c1 ZINC000013145646 368645126 /nfs/dbraw/zinc/64/51/26/368645126.db2.gz OVSBFFSOQWDSFO-KFWWJZLASA-N 0 3 274.408 3.300 50 0 CGAAHN CN(C)[C@H](CNc1ncnc2ccccc21)c1cccs1 ZINC000014166582 368675876 /nfs/dbraw/zinc/67/58/76/368675876.db2.gz DBMNIBSWJSQCIZ-CQSZACIVSA-N 0 3 298.415 3.406 50 0 CGAAHN Nc1ccc(OCCN2CCCCC2)cc1C(F)(F)F ZINC000014630326 368682767 /nfs/dbraw/zinc/68/27/67/368682767.db2.gz YBGDGKFAXNQDIB-UHFFFAOYSA-N 0 3 288.313 3.152 50 0 CGAAHN CCN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019608603 368759130 /nfs/dbraw/zinc/75/91/30/368759130.db2.gz LTEVNLLSOUKNPE-UHFFFAOYSA-N 0 3 292.426 3.395 50 0 CGAAHN CC(C)CCOc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000019737903 368763212 /nfs/dbraw/zinc/76/32/12/368763212.db2.gz GFZGMVKBJPALNA-KRWDZBQOSA-N 0 3 277.408 3.380 50 0 CGAAHN Fc1cccc(CN2CCN(C3CCCCC3)CC2)c1 ZINC000019789476 368765474 /nfs/dbraw/zinc/76/54/74/368765474.db2.gz XNJNTQBYBCWWHR-UHFFFAOYSA-N 0 3 276.399 3.276 50 0 CGAAHN O[C@@H]1CCCN(Cc2cccc(-c3cccc(F)c3)c2)C1 ZINC000019810531 368767835 /nfs/dbraw/zinc/76/78/35/368767835.db2.gz BSUYZWOOHOUYRP-GOSISDBHSA-N 0 3 285.362 3.449 50 0 CGAAHN NCc1ccc(Oc2ccccc2C(F)(F)F)nc1 ZINC000019258980 368745989 /nfs/dbraw/zinc/74/59/89/368745989.db2.gz ZJPIHMYRZBVZCV-UHFFFAOYSA-N 0 3 268.238 3.351 50 0 CGAAHN c1ccc(CNC[C@H]2OCCc3ccccc32)cc1 ZINC000019606453 368758165 /nfs/dbraw/zinc/75/81/65/368758165.db2.gz JCZOWAIOABSXSL-QGZVFWFLSA-N 0 3 253.345 3.090 50 0 biogenic CGAAHN c1ccc([C@H](CNCc2ccncc2)N2CCCC2)cc1 ZINC000020096470 368801881 /nfs/dbraw/zinc/80/18/81/368801881.db2.gz JOMXRYDAEPHVHN-SFHVURJKSA-N 0 3 281.403 3.008 50 0 CGAAHN C[C@@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000023652882 368823631 /nfs/dbraw/zinc/82/36/31/368823631.db2.gz KBICXAMYRQJAHA-HNNXBMFYSA-N 0 3 282.387 3.275 50 0 CGAAHN C[C@H](CN1CCCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000027355528 368870542 /nfs/dbraw/zinc/87/05/42/368870542.db2.gz BQWOLWBHKQKCEI-GFCCVEGCSA-N 0 3 295.814 3.336 50 0 CGAAHN CC(C)[C@@H](C)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030148430 368901193 /nfs/dbraw/zinc/90/11/93/368901193.db2.gz CMTGRYLMQHUEJU-SNVBAGLBSA-N 0 3 286.778 3.394 50 0 CGAAHN C[C@H](CCO)N(Cc1ccccc1)Cc1ccccc1 ZINC000032254340 368929105 /nfs/dbraw/zinc/92/91/05/368929105.db2.gz FPUVNQMAVOHHKI-MRXNPFEDSA-N 0 3 269.388 3.460 50 0 CGAAHN c1ccc(CNCc2ccc(-c3cncnc3)cc2)cc1 ZINC000032561762 368935801 /nfs/dbraw/zinc/93/58/01/368935801.db2.gz DNQRJNFSZUCZFJ-UHFFFAOYSA-N 0 3 275.355 3.433 50 0 CGAAHN Cc1ccsc1C(=O)NCC(C)(C)N1CCCCC1 ZINC000041297909 369180675 /nfs/dbraw/zinc/18/06/75/369180675.db2.gz IRKVASGHWGVQBI-UHFFFAOYSA-N 0 3 280.437 3.051 50 0 CGAAHN CSC[C@@H](C)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000042628400 369227433 /nfs/dbraw/zinc/22/74/33/369227433.db2.gz CZDBRLYWNRXTNG-HIFRSBDPSA-N 0 3 277.433 3.333 50 0 CGAAHN C[C@@H]1c2ccsc2CCN1C[C@H](O)c1ccccc1 ZINC000049538413 369407979 /nfs/dbraw/zinc/40/79/79/369407979.db2.gz DNQWBESNVTWRNM-DOMZBBRYSA-N 0 3 273.401 3.401 50 0 CGAAHN Cc1ccccc1CN(Cc1c[nH]cn1)CC(C)C ZINC000055211275 369512896 /nfs/dbraw/zinc/51/28/96/369512896.db2.gz GEUGBEISJVDSFF-UHFFFAOYSA-N 0 3 257.381 3.376 50 0 CGAAHN Cc1ccccc1CN(Cc1cnc[nH]1)CC(C)C ZINC000055211275 369512902 /nfs/dbraw/zinc/51/29/02/369512902.db2.gz GEUGBEISJVDSFF-UHFFFAOYSA-N 0 3 257.381 3.376 50 0 CGAAHN O[C@@H](c1ccccn1)C1CCN(Cc2cccs2)CC1 ZINC000065288641 369667898 /nfs/dbraw/zinc/66/78/98/369667898.db2.gz QKIBFTBMDLMUGK-MRXNPFEDSA-N 0 3 288.416 3.089 50 0 CGAAHN c1ccc(N2CCNCC2)c(-c2cccc3cccnc32)c1 ZINC000067967753 369737086 /nfs/dbraw/zinc/73/70/86/369737086.db2.gz RGGYUDJHEOCBRM-UHFFFAOYSA-N 0 3 289.382 3.311 50 0 CGAAHN Cc1cccc(CN[C@H]2CN(Cc3ccccc3)C[C@@H]2C)n1 ZINC000088685054 370036089 /nfs/dbraw/zinc/03/60/89/370036089.db2.gz MFQLFQSPNIRQRK-KXBFYZLASA-N 0 3 295.430 3.000 50 0 CGAAHN Cc1nc(CCNCc2ccccc2Cl)c(C)o1 ZINC000089548035 370043125 /nfs/dbraw/zinc/04/31/25/370043125.db2.gz UIZDEZDMWVLSQL-UHFFFAOYSA-N 0 3 264.756 3.277 50 0 CGAAHN Cc1cc(CN2CCC[C@@H](Cc3nccn3C)C2)c(C)o1 ZINC000097139252 370230970 /nfs/dbraw/zinc/23/09/70/370230970.db2.gz RIBSVCBJZYMIFE-HNNXBMFYSA-N 0 3 287.407 3.085 50 0 CGAAHN c1[nH]nc(-c2ccccc2)c1CN1CCCSCC1 ZINC000097375248 370239106 /nfs/dbraw/zinc/23/91/06/370239106.db2.gz AFGJYNSETRGNBB-UHFFFAOYSA-N 0 3 273.405 3.016 50 0 CGAAHN CN(CC1CCCCC1)C(=O)CN(C)C1CCCCC1 ZINC000097466603 370242873 /nfs/dbraw/zinc/24/28/73/370242873.db2.gz VDZJKFQEUUHGLZ-UHFFFAOYSA-N 0 3 280.456 3.290 50 0 CGAAHN Cc1nccn1CCC1CCN(Cc2ccoc2)CC1 ZINC000097675386 370250267 /nfs/dbraw/zinc/25/02/67/370250267.db2.gz UHWSOGMGXZQBOZ-UHFFFAOYSA-N 0 3 273.380 3.087 50 0 CGAAHN COc1ccc([C@H](C)NCc2ccnn2C)c2ccccc12 ZINC000095420173 370188118 /nfs/dbraw/zinc/18/81/18/370188118.db2.gz NMMWBSSLYDJBBE-ZDUSSCGKSA-N 0 3 295.386 3.433 50 0 CGAAHN O[C@@H]1CCCC[C@H]1NCc1cc2ccccc2nc1Cl ZINC000095450160 370197101 /nfs/dbraw/zinc/19/71/01/370197101.db2.gz GCEBZCXFKZORBW-HUUCEWRRSA-N 0 3 290.794 3.281 50 0 CGAAHN Cc1nc(C[C@@H]2CCCN(C/C=C\c3ccccc3)C2)no1 ZINC000098052713 370260598 /nfs/dbraw/zinc/26/05/98/370260598.db2.gz QFWLICKWOVASDL-OOYWPUHTSA-N 0 3 297.402 3.346 50 0 CGAAHN C[C@@H](NC(=O)C(C)(C)N1CCCC1)c1ccc2[nH]ccc2c1 ZINC000426370895 372153605 /nfs/dbraw/zinc/15/36/05/372153605.db2.gz BSGYKSKKXHKNOC-CYBMUJFWSA-N 0 3 299.418 3.220 50 0 CGAAHN CC(C)C[C@@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC000170050464 372634955 /nfs/dbraw/zinc/63/49/55/372634955.db2.gz YINYIAXBMIXKKX-HOTGVXAUSA-N 0 3 274.408 3.114 50 0 CGAAHN Cc1cc(NC(=O)CN[C@H]2CCC[C@H]2CCC(C)C)no1 ZINC000170607271 372641348 /nfs/dbraw/zinc/64/13/48/372641348.db2.gz NATBUALIHZVSNV-KBPBESRZSA-N 0 3 293.411 3.116 50 0 CGAAHN O[C@@H](c1ccccn1)C1CCN(Cc2ccsc2)CC1 ZINC000065288593 541888653 /nfs/dbraw/zinc/88/86/53/541888653.db2.gz MWMUMFBVAXSEQH-MRXNPFEDSA-N 0 3 288.416 3.089 50 0 CGAAHN Clc1ccccc1[C@@H]1CCN(CCn2cccn2)C1 ZINC000299784231 373612400 /nfs/dbraw/zinc/61/24/00/373612400.db2.gz WOIZRMWHEQFNRO-CYBMUJFWSA-N 0 3 275.783 3.026 50 0 CGAAHN Cc1nc(C2CCN(CCCc3ccccc3C)CC2)no1 ZINC000084235686 541931928 /nfs/dbraw/zinc/93/19/28/541931928.db2.gz MNPDXFGGUNSQAC-UHFFFAOYSA-N 0 3 299.418 3.499 50 0 CGAAHN Cc1cnc(CN2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000334525393 374820622 /nfs/dbraw/zinc/82/06/22/374820622.db2.gz AEAOFDOKZBZDBW-MRXNPFEDSA-N 0 3 267.376 3.165 50 0 CGAAHN COc1cccc2c1CC[C@@H](N[C@@H](C)c1ccccn1)C2 ZINC000192437640 375749390 /nfs/dbraw/zinc/74/93/90/375749390.db2.gz OXEBCWBMUFCTCG-DZGCQCFKSA-N 0 3 282.387 3.298 50 0 CGAAHN COC[C@H](NCCc1cccnc1)c1ccc(Cl)cc1 ZINC000193685143 375908914 /nfs/dbraw/zinc/90/89/14/375908914.db2.gz XZMXDZKXHHFHMV-INIZCTEOSA-N 0 3 290.794 3.255 50 0 CGAAHN COc1cccc([C@@H]2CCN2CC2(C)CCOCC2)c1 ZINC000215655317 376150328 /nfs/dbraw/zinc/15/03/28/376150328.db2.gz ONRRNWIBNICINZ-INIZCTEOSA-N 0 3 275.392 3.259 50 0 CGAAHN CN(CCCn1cccn1)Cc1ccc(F)c(Cl)c1 ZINC000215700930 376150949 /nfs/dbraw/zinc/15/09/49/376150949.db2.gz BNFNMXJHEMEDAF-UHFFFAOYSA-N 0 3 281.762 3.198 50 0 CGAAHN CN(CCCc1nccn1C)Cc1ccc2ccccc2n1 ZINC000216266229 376161792 /nfs/dbraw/zinc/16/17/92/376161792.db2.gz XRYISHAWFXMRHF-UHFFFAOYSA-N 0 3 294.402 3.033 50 0 CGAAHN CC(C)c1nccc(CN(C)CCc2ccccc2)n1 ZINC000222454540 376234687 /nfs/dbraw/zinc/23/46/87/376234687.db2.gz NMDYITPQHRNFNF-UHFFFAOYSA-N 0 3 269.392 3.275 50 0 CGAAHN CCCSC1=NC2(CCNCC2)N=C1c1ccccc1 ZINC000232319261 376580453 /nfs/dbraw/zinc/58/04/53/376580453.db2.gz UDVONASJIOWLOO-UHFFFAOYSA-N 0 3 287.432 3.111 50 0 CGAAHN C[C@@H]1CCCC[C@@H]1OCCN1CCS[C@H](C)[C@H]1C ZINC000240897267 376776158 /nfs/dbraw/zinc/77/61/58/376776158.db2.gz IRRIGORCGFNXCU-TUVASFSCSA-N 0 3 271.470 3.408 50 0 CGAAHN C[C@H](C(=O)NCCCCC(F)(F)F)N1[C@H](C)CC[C@H]1C ZINC000252477873 377625502 /nfs/dbraw/zinc/62/55/02/377625502.db2.gz WVSNVCZQYJEMDG-IJLUTSLNSA-N 0 3 294.361 3.097 50 0 CGAAHN CC(=O)N1CCC2(CN(C(C)C)[C@@H]2c2ccccc2)CC1 ZINC000257182742 377793199 /nfs/dbraw/zinc/79/31/99/377793199.db2.gz QAMZARUTAYTUGH-QGZVFWFLSA-N 0 3 286.419 3.080 50 0 CGAAHN C[C@@H]1NCCO[C@H]1c1ccc(-c2cnc3[nH]ccc3c2)cc1 ZINC000585124219 378397375 /nfs/dbraw/zinc/39/73/75/378397375.db2.gz HAFMTKAASJPBBL-YVEFUNNKSA-N 0 3 293.370 3.231 50 0 CGAAHN Cc1ncccc1CN[C@@H]1CCCc2c(O)cccc21 ZINC000191662862 542261965 /nfs/dbraw/zinc/26/19/65/542261965.db2.gz LDGVJDKKUFHZEP-MRXNPFEDSA-N 0 3 268.360 3.263 50 0 CGAAHN C[C@H](N[C@@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778411 379513806 /nfs/dbraw/zinc/51/38/06/379513806.db2.gz LCOSCHKTTNYCRL-WCBMZHEXSA-N 0 3 287.226 3.000 50 0 CGAAHN CC(C)C[C@@H](CN(C)C)NC(=O)Nc1ccc(Cl)cc1 ZINC000032934685 391971675 /nfs/dbraw/zinc/97/16/75/391971675.db2.gz IQHNUCHWNOCUPF-AWEZNQCLSA-N 0 3 297.830 3.438 50 0 CGAAHN Cc1ccc(/C=C/C(=O)N(CCN(C)C)c2ccccc2)o1 ZINC000062580321 392132259 /nfs/dbraw/zinc/13/22/59/392132259.db2.gz XGYLGEXUAYLSRB-VAWYXSNFSA-N 0 3 298.386 3.196 50 0 CGAAHN O[C@H](CNCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000095883366 392244000 /nfs/dbraw/zinc/24/40/00/392244000.db2.gz RZAXFKGKFNQOES-OAHLLOKOSA-N 0 3 293.313 3.111 50 0 CGAAHN CC[C@H](c1ccc(F)cc1)N1CCC([C@@H](C)O)CC1 ZINC000096414878 392250994 /nfs/dbraw/zinc/25/09/94/392250994.db2.gz ZLBDPFMOZWJGAP-MLGOLLRUSA-N 0 3 265.372 3.370 50 0 CGAAHN CN(C)Cc1cccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000096421677 392252537 /nfs/dbraw/zinc/25/25/37/392252537.db2.gz RISXDOIQQIWKJQ-QZTJIDSGSA-N 0 3 294.398 3.034 50 0 CGAAHN CCC[C@]1(CO)CCN(CCOc2cccc(CC)c2)C1 ZINC000585083936 542769115 /nfs/dbraw/zinc/76/91/15/542769115.db2.gz LDNUZYGRGTUHFE-SFHVURJKSA-N 0 3 291.435 3.112 50 0 CGAAHN CN(Cc1cc(F)ccc1C(F)(F)F)CC(C)(C)CO ZINC000670452390 543155429 /nfs/dbraw/zinc/15/54/29/543155429.db2.gz IRVSTPOCZNXPEQ-UHFFFAOYSA-N 0 3 293.304 3.295 50 0 CGAAHN CC(=O)c1ccccc1OCCCN1CCC[C@@H](C)C1 ZINC000004842209 170028385 /nfs/dbraw/zinc/02/83/85/170028385.db2.gz YOAIVRZPTNNSRI-CQSZACIVSA-N 0 3 275.392 3.390 50 0 CGAAHN CC(=O)c1cccc(OCCN2C[C@H](C)C[C@@H](C)C2)c1 ZINC000004841741 170028493 /nfs/dbraw/zinc/02/84/93/170028493.db2.gz VVYNWWQREPVHQQ-ZIAGYGMSSA-N 0 3 275.392 3.246 50 0 CGAAHN Cc1cc(Br)ccc1OCCN1CCCC1 ZINC000004845204 170029727 /nfs/dbraw/zinc/02/97/27/170029727.db2.gz LXGKOSCPGZHCMR-UHFFFAOYSA-N 0 3 284.197 3.232 50 0 CGAAHN Cc1ccc(Cl)cc1NC(=O)NCCN1CCCCC1 ZINC000006728558 170234205 /nfs/dbraw/zinc/23/42/05/170234205.db2.gz DSMMXQSDBIIMFN-UHFFFAOYSA-N 0 3 295.814 3.256 50 0 CGAAHN Cc1noc(C)c1CN[C@@H](C)CCc1ccccc1 ZINC000020253294 171106281 /nfs/dbraw/zinc/10/62/81/171106281.db2.gz VPXTUMDCQVMWEA-LBPRGKRZSA-N 0 3 258.365 3.402 50 0 CGAAHN Cc1cccc(-n2nnnc2C2(NC(C)C)CCCCC2)c1 ZINC000035622141 172304346 /nfs/dbraw/zinc/30/43/46/172304346.db2.gz VFGMLKYDBHLBCQ-UHFFFAOYSA-N 0 3 299.422 3.128 50 0 CGAAHN Cc1csc(SCC[C@H]2CCCCN2C)n1 ZINC000040159253 174195791 /nfs/dbraw/zinc/19/57/91/174195791.db2.gz CCLAQHJEULBVEF-LLVKDONJSA-N 0 3 256.440 3.418 50 0 CGAAHN Cc1cc(Cl)nc(C2CCN(C(C)C)CC2)n1 ZINC000072343859 176372296 /nfs/dbraw/zinc/37/22/96/176372296.db2.gz FISKUNDDQVBZHB-UHFFFAOYSA-N 0 3 253.777 3.026 50 0 CGAAHN COc1ccccc1N1CCN([C@H]2CC[C@@H](C)C2)CC1 ZINC000000277014 274158699 /nfs/dbraw/zinc/15/86/99/274158699.db2.gz UIXAGJDENQATEF-CABCVRRESA-N 0 3 274.408 3.006 50 0 CGAAHN CCCC(=O)NC[C@@H](c1cccs1)N1CCCCC1 ZINC000027580696 278658912 /nfs/dbraw/zinc/65/89/12/278658912.db2.gz CQXYEGRMFLLECP-ZDUSSCGKSA-N 0 3 280.437 3.191 50 0 CGAAHN CN(C)CCOC(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000000240359 289165112 /nfs/dbraw/zinc/16/51/12/289165112.db2.gz RXPHWWJZBKFPIP-JOHJCKIYSA-N 0 3 279.424 3.088 50 0 CGAAHN CC(C)n1nccc1-c1ccc(CN2CCCC2)cn1 ZINC000534642936 328329117 /nfs/dbraw/zinc/32/91/17/328329117.db2.gz PSQGZWSVCLEHKC-UHFFFAOYSA-N 0 3 270.380 3.122 50 0 CGAAHN Clc1ccccc1C1(N[C@@H]2CCSC2)CC1 ZINC000534651043 328337151 /nfs/dbraw/zinc/33/71/51/328337151.db2.gz PSAWFPZTQGJSOA-SNVBAGLBSA-N 0 3 253.798 3.424 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)nc1 ZINC000096486360 534076833 /nfs/dbraw/zinc/07/68/33/534076833.db2.gz TUMXEBGZBRJFBG-SUMWQHHRSA-N 0 3 288.366 3.131 50 0 CGAAHN Cc1ccc(N[C@@H]2CCCN(Cc3cnn(C)c3)C2)cc1C ZINC000012198875 525312789 /nfs/dbraw/zinc/31/27/89/525312789.db2.gz DVBLRVGQWNNTHW-GOSISDBHSA-N 0 3 298.434 3.113 50 0 CGAAHN CN(C)CC[C@@](O)(c1c[nH]c2ccccc21)c1ccccc1 ZINC000001852535 567929287 /nfs/dbraw/zinc/92/92/87/567929287.db2.gz LZAVFMHBBSGJAL-IBGZPJMESA-N 0 3 294.398 3.356 50 0 CGAAHN Cc1cnn(C[C@H](C)N[C@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101218 619261083 /nfs/dbraw/zinc/26/10/83/619261083.db2.gz UTRWPNDKDDEURR-NWDGAFQWSA-N 0 3 294.349 3.263 50 0 CGAAHN Cc1cc(-n2ccnc2)ccc1CN1C[C@H](C)OCC1(C)C ZINC000192145630 620382691 /nfs/dbraw/zinc/38/26/91/620382691.db2.gz VOGNVCAOLIYDRC-HNNXBMFYSA-N 0 3 299.418 3.180 50 0 CGAAHN COc1ccc(/C=C(/C)CN[C@@H](C)c2cnn(C)c2)cc1 ZINC000095988347 640817762 /nfs/dbraw/zinc/81/77/62/640817762.db2.gz IAICAUNHVKJFBH-XXYUJHKVSA-N 0 3 285.391 3.183 50 0 CGAAHN Cc1cnc(CN2CCC[C@@H](c3ccccc3C)C2)cn1 ZINC001506395930 937989430 /nfs/dbraw/zinc/98/94/30/937989430.db2.gz BMJORTGZLLSTMV-MRXNPFEDSA-N 0 3 281.403 3.473 50 0 CGAAHN Cc1ncsc1CNC[C@@H](C)c1nc2ccccc2o1 ZINC000096446424 230374705 /nfs/dbraw/zinc/37/47/05/230374705.db2.gz PNPZLDRTZVGILS-SNVBAGLBSA-N 0 3 287.388 3.486 50 0 CGAAHN Cc1ncsc1CN[C@H](C)CSC(C)(C)C ZINC000095967738 185046875 /nfs/dbraw/zinc/04/68/75/185046875.db2.gz STNVQERCHUMZFO-SECBINFHSA-N 0 3 258.456 3.461 50 0 CGAAHN C[C@H](NCC(=O)N1CCC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000095995961 185060319 /nfs/dbraw/zinc/06/03/19/185060319.db2.gz CRWLTUUPDJMNGS-OAGGEKHMSA-N 0 3 288.435 3.027 50 0 CGAAHN C[S@@](=O)CCNCc1ccc(-c2ccccc2F)s1 ZINC000072286924 345407925 /nfs/dbraw/zinc/40/79/25/345407925.db2.gz LIWFWXRBPUYRTL-IBGZPJMESA-N 0 3 297.420 3.022 50 0 CGAAHN Cc1ccc(CNCCNc2ccc(C(F)(F)F)cn2)o1 ZINC000079061145 345629386 /nfs/dbraw/zinc/62/93/86/345629386.db2.gz FMOGGYREEKLFOU-UHFFFAOYSA-N 0 3 299.296 3.204 50 0 CGAAHN C[C@H](C(=O)N([C@@H](C)C1CC1)C1CC1)[C@H](N)c1ccccc1 ZINC000221333190 346297602 /nfs/dbraw/zinc/29/76/02/346297602.db2.gz OGNOSEGQWDAFEY-DCGLDWPTSA-N 0 3 286.419 3.112 50 0 CGAAHN CCc1ccc(CN2CC[C@H](Cc3ccc(CO)cc3)C2)o1 ZINC000091504549 180176096 /nfs/dbraw/zinc/17/60/96/180176096.db2.gz WCTOEOAEQILLOJ-QGZVFWFLSA-N 0 3 299.414 3.399 50 0 CGAAHN COc1ccc(Cl)cc1CN(C)C[C@H]1CCCOC1 ZINC000107692804 186187047 /nfs/dbraw/zinc/18/70/47/186187047.db2.gz KKHWCZMBTMDYJG-GFCCVEGCSA-N 0 3 283.799 3.207 50 0 CGAAHN CS[C@@H]1CC[C@@H](N(C)Cc2cccc(NC(C)=O)c2)C1 ZINC000110641649 186309345 /nfs/dbraw/zinc/30/93/45/186309345.db2.gz RZHVIKWGYOJOCS-HZPDHXFCSA-N 0 3 292.448 3.361 50 0 CGAAHN CCc1nc(CN[C@@H](Cc2ccccn2)C2CC2)cs1 ZINC000156484325 188265205 /nfs/dbraw/zinc/26/52/05/188265205.db2.gz NUUANESEHSTWQR-HNNXBMFYSA-N 0 3 287.432 3.211 50 0 CGAAHN O[C@@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000179522612 189199747 /nfs/dbraw/zinc/19/97/47/189199747.db2.gz GQNXDFRYOIBXLY-CQSZACIVSA-N 0 3 273.401 3.372 50 0 CGAAHN C[C@H](c1cccs1)N(C)CCn1cc(Cl)cn1 ZINC000459293304 242058010 /nfs/dbraw/zinc/05/80/10/242058010.db2.gz FJGRQIYTQZDPPP-SNVBAGLBSA-N 0 3 269.801 3.291 50 0 CGAAHN CC1CCN(C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000000127560 368295892 /nfs/dbraw/zinc/29/58/92/368295892.db2.gz QUDVPCKPGHORAB-GOSISDBHSA-N 0 3 299.414 3.311 50 0 CGAAHN COc1cc(CNCc2ccc(C)cc2)cc(OC)c1 ZINC000000182173 368310593 /nfs/dbraw/zinc/31/05/93/368310593.db2.gz MKIPHHHYWFOIRH-UHFFFAOYSA-N 0 3 271.360 3.302 50 0 biogenic CGAAHN CCc1ccc(NC(=S)NC[C@@H]2CCCN2CC)cc1 ZINC000003287355 368499848 /nfs/dbraw/zinc/49/98/48/368499848.db2.gz ZJXZVKDVSFKOBI-HNNXBMFYSA-N 0 3 291.464 3.020 50 0 CGAAHN Cc1cccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000003306261 368501290 /nfs/dbraw/zinc/50/12/90/368501290.db2.gz YBPZGFDMMKGDBH-KRWDZBQOSA-N 0 3 282.387 3.028 50 0 CGAAHN C[C@H](c1ccccc1)[C@H]1OC[C@H](CN2CCCCC2)O1 ZINC000004012232 368525850 /nfs/dbraw/zinc/52/58/50/368525850.db2.gz ODYIWFSYHAIAAO-PVAVHDDUSA-N 0 3 275.392 3.018 50 0 CGAAHN CC[C@@H](C)[C@H](N)C(=O)Nc1ccccc1C(F)(F)F ZINC000011959997 368600872 /nfs/dbraw/zinc/60/08/72/368600872.db2.gz FFTAILRALRFAPC-KCJUWKMLSA-N 0 3 274.286 3.017 50 0 CGAAHN CC(C)(C)C(=O)NCC1CCN(Cc2cccs2)CC1 ZINC000023128055 368816567 /nfs/dbraw/zinc/81/65/67/368816567.db2.gz UDRSBLNIGXELIP-UHFFFAOYSA-N 0 3 294.464 3.122 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccc(Cl)cc1F ZINC000024830801 368835791 /nfs/dbraw/zinc/83/57/91/368835791.db2.gz OTWYOOWCBCTNCZ-UHFFFAOYSA-N 0 3 272.751 3.196 50 0 CGAAHN Clc1cc(CNCc2cccs2)cc2c1OCO2 ZINC000034937714 368980273 /nfs/dbraw/zinc/98/02/73/368980273.db2.gz UMUUZMKYNUIOJS-UHFFFAOYSA-N 0 3 281.764 3.420 50 0 CGAAHN CC(C)CCN(Cc1ccsc1)C[C@@H](O)COC(C)C ZINC000036099594 369009045 /nfs/dbraw/zinc/00/90/45/369009045.db2.gz CUBTVFXQXIUYOH-MRXNPFEDSA-N 0 3 299.480 3.382 50 0 CGAAHN Cc1ccc([C@@H](C)NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000037764945 369106532 /nfs/dbraw/zinc/10/65/32/369106532.db2.gz VBLJUSMRKMLGQS-RHSMWYFYSA-N 0 3 282.387 3.262 50 0 CGAAHN O[C@@H](CNCc1ccccc1Cl)c1ccsc1 ZINC000219107049 376195337 /nfs/dbraw/zinc/19/53/37/376195337.db2.gz MQIURWYSOIWJRS-ZDUSSCGKSA-N 0 3 267.781 3.225 50 0 CGAAHN c1cnn(-c2ccc(CNCc3ccsc3)cc2)c1 ZINC000062103922 369619014 /nfs/dbraw/zinc/61/90/14/369619014.db2.gz RVSYKIMWGQXWIT-UHFFFAOYSA-N 0 3 269.373 3.224 50 0 CGAAHN COCC[C@@H]1CCCCN1Cc1cccc(C(C)=O)c1 ZINC000065467853 369677886 /nfs/dbraw/zinc/67/78/86/369677886.db2.gz DFCPYWMAOQXQMA-KRWDZBQOSA-N 0 3 275.392 3.280 50 0 CGAAHN CN(CCN(C)c1ccccc1)Cc1ccccc1 ZINC000066182802 369690027 /nfs/dbraw/zinc/69/00/27/369690027.db2.gz WXOKYWLMFVBCRB-UHFFFAOYSA-N 0 3 254.377 3.255 50 0 CGAAHN CC(C)Oc1ccccc1O[C@@]12CCN(C1)CCC2 ZINC000067956212 369737421 /nfs/dbraw/zinc/73/74/21/369737421.db2.gz ROUORRBXGNJAPT-INIZCTEOSA-N 0 3 261.365 3.091 50 0 CGAAHN C[C@H]1c2ccsc2CCN1CCc1ccncc1 ZINC000069460545 369760477 /nfs/dbraw/zinc/76/04/77/369760477.db2.gz ULRXJBHYYSMFQN-LBPRGKRZSA-N 0 3 258.390 3.305 50 0 CGAAHN Cc1n[nH]cc1CCCN[C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000089544541 370041918 /nfs/dbraw/zinc/04/19/18/370041918.db2.gz XAYIZGGHRPQJND-VIFPVBQESA-N 0 3 297.324 3.419 50 0 CGAAHN CNCc1cccc(NC(=O)c2cscc2C)c1 ZINC000094248265 370166541 /nfs/dbraw/zinc/16/65/41/370166541.db2.gz DKSPBKSBQFITFR-UHFFFAOYSA-N 0 3 260.362 3.028 50 0 CGAAHN COc1ccccc1[C@H]1CCN(Cc2cccnc2C)C1 ZINC000093593717 370144863 /nfs/dbraw/zinc/14/48/63/370144863.db2.gz ZZWKKVUXIDAYIT-INIZCTEOSA-N 0 3 282.387 3.388 50 0 CGAAHN Cc1cccc(NC(=O)CCN[C@@H](C)c2cccs2)n1 ZINC000095421109 370187962 /nfs/dbraw/zinc/18/79/62/370187962.db2.gz SNSJDZHZNDPDPZ-LBPRGKRZSA-N 0 3 289.404 3.131 50 0 CGAAHN CCOc1cc(CN[C@H]2CCc3ccccc32)ccn1 ZINC000095420321 370188060 /nfs/dbraw/zinc/18/80/60/370188060.db2.gz HQNJLOKKDICTLT-INIZCTEOSA-N 0 3 268.360 3.257 50 0 CGAAHN CC(C)OCC[C@@H]1CCCCN1Cc1cccnc1 ZINC000095431953 370192715 /nfs/dbraw/zinc/19/27/15/370192715.db2.gz KKJISDIHOIBJDF-INIZCTEOSA-N 0 3 262.397 3.251 50 0 CGAAHN O[C@@H]1CCCC[C@@H]1NCc1cc2ccccc2nc1Cl ZINC000095450161 370196766 /nfs/dbraw/zinc/19/67/66/370196766.db2.gz GCEBZCXFKZORBW-LSDHHAIUSA-N 0 3 290.794 3.281 50 0 CGAAHN Cc1nnc(CN[C@H]2CCCC[C@@H]2Cc2ccccc2)n1C ZINC000119054135 370640607 /nfs/dbraw/zinc/64/06/07/370640607.db2.gz MOPNOADIDKIPBU-SJORKVTESA-N 0 3 298.434 3.015 50 0 CGAAHN O[C@H]1CCCN(Cc2ccccc2OC2CCCC2)CC1 ZINC000293953767 372534318 /nfs/dbraw/zinc/53/43/18/372534318.db2.gz IXRIXNKOTNCLOU-INIZCTEOSA-N 0 3 289.419 3.355 50 0 CGAAHN Cc1ccc(-c2n[nH]cc2CN(C)CCc2ccncc2)o1 ZINC000170594887 372639249 /nfs/dbraw/zinc/63/92/49/372639249.db2.gz GEHXCVNMNNCTLR-UHFFFAOYSA-N 0 3 296.374 3.048 50 0 CGAAHN Cc1cc(CN(C)C)cc(NC(=O)c2cccc(O)c2)c1 ZINC000170593572 372640080 /nfs/dbraw/zinc/64/00/80/372640080.db2.gz XTOBAVFAZGBHME-UHFFFAOYSA-N 0 3 284.359 3.015 50 0 CGAAHN CCN(C[C@H]1CCCN1CC)C(=O)CCC1CCCC1 ZINC000170599149 372641614 /nfs/dbraw/zinc/64/16/14/372641614.db2.gz ZPNDNUKMGPIWRD-MRXNPFEDSA-N 0 3 280.456 3.290 50 0 CGAAHN CCc1cc(Cl)ccc1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000299755101 373610307 /nfs/dbraw/zinc/61/03/07/373610307.db2.gz BOUWFDVGOZCJDK-ZDUSSCGKSA-N 0 3 295.814 3.070 50 0 CGAAHN CC1CCC(C)(NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000084689242 541935282 /nfs/dbraw/zinc/93/52/82/541935282.db2.gz MUYQXWSPTHOQNL-UHFFFAOYSA-N 0 3 296.361 3.462 50 0 CGAAHN OCc1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)o1 ZINC000092221650 541972684 /nfs/dbraw/zinc/97/26/84/541972684.db2.gz MFBNIFUFOTYRLW-SFHVURJKSA-N 0 3 283.371 3.424 50 0 CGAAHN Cc1nccnc1[C@@H](C)N[C@H](C)Cc1ccccc1F ZINC000187813523 375100035 /nfs/dbraw/zinc/10/00/35/375100035.db2.gz NBUKIKUDOOYSES-DGCLKSJQSA-N 0 3 273.355 3.206 50 0 CGAAHN Cc1nccnc1[C@@H](C)N[C@@H](C)Cc1ccccc1F ZINC000187813484 375100422 /nfs/dbraw/zinc/10/04/22/375100422.db2.gz NBUKIKUDOOYSES-WCQYABFASA-N 0 3 273.355 3.206 50 0 CGAAHN C[C@@H](CN[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082245 375155296 /nfs/dbraw/zinc/15/52/96/375155296.db2.gz LGBZOIAZSNBIPU-FZMZJTMJSA-N 0 3 290.798 3.160 50 0 CGAAHN C[C@H](CN[C@H]1CCCn2ncnc21)c1cccc(Cl)c1 ZINC000188082270 375155341 /nfs/dbraw/zinc/15/53/41/375155341.db2.gz LGBZOIAZSNBIPU-RISCZKNCSA-N 0 3 290.798 3.160 50 0 CGAAHN Cc1ncc(CN2CCC[C@@H](c3ccccc3)CC2)n1C ZINC000215194851 376147457 /nfs/dbraw/zinc/14/74/57/376147457.db2.gz IRUBIADEWKNUCS-QGZVFWFLSA-N 0 3 283.419 3.498 50 0 CGAAHN CC1(C)C[C@@H](CN(Cc2ccccn2)C2CC2)CCO1 ZINC000216241201 376160398 /nfs/dbraw/zinc/16/03/98/376160398.db2.gz FAGHJQPDSNDAEX-AWEZNQCLSA-N 0 3 274.408 3.251 50 0 CGAAHN Cc1cccc(CNC2CCOCC2)c1Br ZINC000225537656 376314968 /nfs/dbraw/zinc/31/49/68/376314968.db2.gz VBOAUNVLVOCUHE-UHFFFAOYSA-N 0 3 284.197 3.026 50 0 CGAAHN Cc1cn2c(n1)CC[C@@H](NCc1sccc1Cl)C2 ZINC000225609821 376318094 /nfs/dbraw/zinc/31/80/94/376318094.db2.gz OAYCPUKIINHEGW-SNVBAGLBSA-N 0 3 281.812 3.011 50 0 CGAAHN CN(Cc1sccc1Cl)C1CCC(O)CC1 ZINC000225625605 376318203 /nfs/dbraw/zinc/31/82/03/376318203.db2.gz LBNOPJPTXNFSKX-UHFFFAOYSA-N 0 3 259.802 3.137 50 0 CGAAHN Cc1cc([C@@H](C)NCC(C)(C)CC(C)C)nn1C ZINC000225733457 376323269 /nfs/dbraw/zinc/32/32/69/376323269.db2.gz FYNGGIXQKGLVLA-CYBMUJFWSA-N 0 3 251.418 3.451 50 0 CGAAHN CCC(CC)N[C@H](C)c1nnnn1C1CCCCC1 ZINC000241316694 376778537 /nfs/dbraw/zinc/77/85/37/376778537.db2.gz LUBOZUIOPSVKRT-LLVKDONJSA-N 0 3 265.405 3.018 50 0 CGAAHN CN(C)Cc1csc(CN(C)Cc2cccc(O)c2)c1 ZINC000243956764 376788994 /nfs/dbraw/zinc/78/89/94/376788994.db2.gz CDPKDENRIPRICI-UHFFFAOYSA-N 0 3 290.432 3.147 50 0 CGAAHN CC[C@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098284 391975384 /nfs/dbraw/zinc/97/53/84/391975384.db2.gz YQPIAKQPMGGKIU-SFHVURJKSA-N 0 3 299.414 3.468 50 0 CGAAHN CCOC(=O)c1n[nH]cc1CN([C@@H](C)CC)C1CCCC1 ZINC000055041997 392094208 /nfs/dbraw/zinc/09/42/08/392094208.db2.gz SETKBYYAZHHKFI-LBPRGKRZSA-N 0 3 293.411 3.130 50 0 CGAAHN C[C@H]([C@H](C)NCc1cnc(C(C)(C)C)s1)n1cccn1 ZINC000069372675 392172389 /nfs/dbraw/zinc/17/23/89/392172389.db2.gz NAORZNGLVQVIIJ-NWDGAFQWSA-N 0 3 292.452 3.376 50 0 CGAAHN Cc1ccc(/C=C\C(=O)N(CCN(C)C)c2ccccc2)o1 ZINC000096313923 392247852 /nfs/dbraw/zinc/24/78/52/392247852.db2.gz XGYLGEXUAYLSRB-QXMHVHEDSA-N 0 3 298.386 3.196 50 0 CGAAHN CCn1cc(CN[C@@H]2c3cccc(F)c3CC[C@@H]2C)cn1 ZINC000096456819 392255860 /nfs/dbraw/zinc/25/58/60/392255860.db2.gz RGQDIIRDWZXINF-SJCJKPOMSA-N 0 3 287.382 3.455 50 0 CGAAHN c1ccc2c(c1)SCC[C@H]2NCCOC[C@H]1CCCO1 ZINC000096477727 392256716 /nfs/dbraw/zinc/25/67/16/392256716.db2.gz FAJLAJSMCIZKJZ-UKRRQHHQSA-N 0 3 293.432 3.009 50 0 CGAAHN COc1c(C)cnc(CN[C@H]2CC(C)(C)OC2(C)C)c1C ZINC000132614237 392461471 /nfs/dbraw/zinc/46/14/71/392461471.db2.gz MCBKZSUNBGJUTM-AWEZNQCLSA-N 0 3 292.423 3.143 50 0 CGAAHN CC(C)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000058210308 397637020 /nfs/dbraw/zinc/63/70/20/397637020.db2.gz GSNCKKLRBICSKO-QGZVFWFLSA-N 0 3 288.435 3.061 50 0 CGAAHN CCc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387775 287115671 /nfs/dbraw/zinc/11/56/71/287115671.db2.gz ZMQWTSHGPYWSME-GOSISDBHSA-N 0 3 285.387 3.324 50 0 CGAAHN CC[C@H](CO)NCc1ccc(-c2ccccc2Cl)o1 ZINC000004999738 170052575 /nfs/dbraw/zinc/05/25/75/170052575.db2.gz SEZMSQPZBPOVDG-LLVKDONJSA-N 0 3 279.767 3.461 50 0 CGAAHN Cc1csc(N2C(=N)SC(c3ccccc3)C2=O)n1 ZINC000005001311 170053339 /nfs/dbraw/zinc/05/33/39/170053339.db2.gz HMHYXNNYDPWSAE-JTQLQIEISA-N 0 3 289.385 3.207 50 0 CGAAHN COc1ccc(-c2nc(CN3CCCCC3)ccc2O)cc1 ZINC000005257201 170080367 /nfs/dbraw/zinc/08/03/67/170080367.db2.gz GVHFIOFXWMUXGR-UHFFFAOYSA-N 0 3 298.386 3.449 50 0 CGAAHN COc1ccc(-c2nc(C[NH+]3CCCCC3)ccc2[O-])cc1 ZINC000005257201 170080370 /nfs/dbraw/zinc/08/03/70/170080370.db2.gz GVHFIOFXWMUXGR-UHFFFAOYSA-N 0 3 298.386 3.449 50 0 CGAAHN N[C@@H](c1ccccc1)c1ccccc1Br ZINC000020391310 171180017 /nfs/dbraw/zinc/18/00/17/171180017.db2.gz SPVWGVSMLZCEQX-ZDUSSCGKSA-N 0 3 262.150 3.497 50 0 CGAAHN Fc1ccc(C[C@H]2CN(C3CCCC3)CCO2)cc1 ZINC000020993469 171283673 /nfs/dbraw/zinc/28/36/73/171283673.db2.gz DPTVIKKQOQCWOX-INIZCTEOSA-N 0 3 263.356 3.012 50 0 CGAAHN Fc1ccc(CNCc2ccc3nccnc3c2)cc1 ZINC000021635817 171317869 /nfs/dbraw/zinc/31/78/69/171317869.db2.gz YWTFBVDOFVPFSO-UHFFFAOYSA-N 0 3 267.307 3.059 50 0 CGAAHN c1ccc([C@@H]2NCCN=C2NC2CCCCCC2)cc1 ZINC000021883569 171335744 /nfs/dbraw/zinc/33/57/44/171335744.db2.gz GXNDJWXUTYLMRI-INIZCTEOSA-N 0 3 271.408 3.042 50 0 CGAAHN CN(C)/C=C/c1ccnc(-c2cc(/C=C/N(C)C)ccn2)c1 ZINC000038195934 174136545 /nfs/dbraw/zinc/13/65/45/174136545.db2.gz PMOOYDXWOVKBRY-MKICQXMISA-N 0 3 294.402 3.208 50 0 CGAAHN CCN1CCC[C@H](Nc2nc3ccccc3s2)C1 ZINC000040503233 174299553 /nfs/dbraw/zinc/29/95/53/174299553.db2.gz FMHOVBNOQUQOEE-NSHDSACASA-N 0 3 261.394 3.193 50 0 CGAAHN Cc1ccsc1CNCc1c[nH]nc1C(C)(C)C ZINC000049283283 416469983 /nfs/dbraw/zinc/46/99/83/416469983.db2.gz XPRFNMGTKJHTTB-UHFFFAOYSA-N 0 3 263.410 3.367 50 0 CGAAHN O[C@@H]1CCC[C@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657373798 419263567 /nfs/dbraw/zinc/26/35/67/419263567.db2.gz CERDTKQDCQFLGQ-GXTWGEPZSA-N 0 3 293.382 3.008 50 0 CGAAHN C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1cccc(F)c1 ZINC000024757571 260127957 /nfs/dbraw/zinc/12/79/57/260127957.db2.gz LAEGLZHANONKKC-SJCJKPOMSA-N 0 3 298.361 3.430 50 0 CGAAHN CC(C)N1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000019889623 273532293 /nfs/dbraw/zinc/53/22/93/273532293.db2.gz RTOHSCUSPAOZPD-UHFFFAOYSA-N 0 3 286.341 3.231 50 0 CGAAHN CCC[C@@H](N)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000037031598 276024305 /nfs/dbraw/zinc/02/43/05/276024305.db2.gz ZHISISWWPBYLEY-NEPJUHHUSA-N 0 3 298.839 3.121 50 0 CGAAHN C[C@H](N[C@@H](C)[C@@H]1C[C@H]1C1CC1)c1cn(-c2ccccc2)nn1 ZINC000527678914 288187485 /nfs/dbraw/zinc/18/74/85/288187485.db2.gz WPCNPZJBTKWPHN-PYTWLRIVSA-N 0 3 296.418 3.353 50 0 CGAAHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Cl)cc1)NCC2 ZINC000008553090 280437881 /nfs/dbraw/zinc/43/78/81/280437881.db2.gz KUYBDOWEEWZIMG-QLFBSQMISA-N 0 3 265.784 3.296 50 0 biogenic CGAAHN CN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 ZINC000004031240 289160587 /nfs/dbraw/zinc/16/05/87/289160587.db2.gz VAKMKOXCESUTKU-UHFFFAOYSA-N 0 3 292.467 3.051 50 0 CGAAHN CCC[C@@H](N[C@@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761352 327721618 /nfs/dbraw/zinc/72/16/18/327721618.db2.gz LHSYRVKUPAYFFV-ZIAGYGMSSA-N 0 3 280.437 3.190 50 0 CGAAHN C[C@@H](NCc1nn(C)c2cccc(Cl)c12)C1CC1 ZINC000534670939 328347500 /nfs/dbraw/zinc/34/75/00/328347500.db2.gz FQASWCFBRWRKJY-SECBINFHSA-N 0 3 263.772 3.115 50 0 CGAAHN CCOCCN[C@H](Cc1ccncc1)c1cccs1 ZINC000424259557 528780561 /nfs/dbraw/zinc/78/05/61/528780561.db2.gz CTMNIQYZIKIQSG-CQSZACIVSA-N 0 3 276.405 3.053 50 0 CGAAHN CCN(C)Cc1cncc(-c2cc(OC)ccc2OC)c1 ZINC000037554235 570248506 /nfs/dbraw/zinc/24/85/06/570248506.db2.gz TVNBKFQFLUNYCX-UHFFFAOYSA-N 0 3 286.375 3.218 50 0 CGAAHN CC[C@H](C(=O)NCCCc1ccccc1Cl)N(C)CC ZINC000952969987 615606420 /nfs/dbraw/zinc/60/64/20/615606420.db2.gz HMDBSOXIXSAAPD-OAHLLOKOSA-N 0 3 296.842 3.119 50 0 CGAAHN C/C=C(\F)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000888095577 619259056 /nfs/dbraw/zinc/25/90/56/619259056.db2.gz OHMHAMZYZBLYRN-QCDXTXTGSA-N 0 3 261.300 3.129 50 0 CGAAHN CCCC[C@H](N)C(=O)N(Cc1ccc(C)s1)C1CC1 ZINC000952977556 636777160 /nfs/dbraw/zinc/77/71/60/636777160.db2.gz KHOBVKWGVCFIJW-AWEZNQCLSA-N 0 3 280.437 3.065 50 0 CGAAHN CC(C)c1ccc(Oc2ccccc2CN(C)C)nn1 ZINC000067981882 798911303 /nfs/dbraw/zinc/91/13/03/798911303.db2.gz OVCFIBGFHFIUDG-UHFFFAOYSA-N 0 3 271.364 3.454 50 0 CGAAHN CC[C@@H](C(=O)NCc1cccc2ccccc21)N(C)CC ZINC000822555807 800461828 /nfs/dbraw/zinc/46/18/28/800461828.db2.gz PBOCFELIUNYMOJ-KRWDZBQOSA-N 0 3 284.403 3.186 50 0 CGAAHN Cc1ncccc1CN[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095978205 185051532 /nfs/dbraw/zinc/05/15/32/185051532.db2.gz OMLSGFXBIOKDMZ-PXAZEXFGSA-N 0 3 288.366 3.131 50 0 CGAAHN C[C@H](CCc1ccccc1)N[C@H](C)c1nnc2n1CCCC2 ZINC000089895756 345776571 /nfs/dbraw/zinc/77/65/71/345776571.db2.gz OFJRYXXVFYPYQM-HUUCEWRRSA-N 0 3 298.434 3.286 50 0 CGAAHN Cc1ccc(CNC[C@](C)(O)c2ccccc2Cl)nc1 ZINC000097378277 345908861 /nfs/dbraw/zinc/90/88/61/345908861.db2.gz QHFGHGFRAIMTRQ-INIZCTEOSA-N 0 3 290.794 3.041 50 0 CGAAHN Fc1c(Cl)cccc1CNC1CCC2(CC1)OCCO2 ZINC000133066186 346075037 /nfs/dbraw/zinc/07/50/37/346075037.db2.gz FKZUSHCESSMNEL-UHFFFAOYSA-N 0 3 299.773 3.254 50 0 CGAAHN Cc1cccc(C)c1NC(=O)N1CC(C)(C)NC(C)(C)C1 ZINC000585140045 346725201 /nfs/dbraw/zinc/72/52/01/346725201.db2.gz ASLHLRBGEFTGTG-UHFFFAOYSA-N 0 3 289.423 3.298 50 0 CGAAHN O[C@H]1CN(Cc2ccccc2)CC[C@H]1c1ccccc1 ZINC000601013399 347852130 /nfs/dbraw/zinc/85/21/30/347852130.db2.gz RRVCCPCWJKCTCG-ROUUACIJSA-N 0 3 267.372 3.037 50 0 CGAAHN CC[C@]1(CO)CCCN(C/C=C/c2ccc(OC)cc2)C1 ZINC000091635899 180211057 /nfs/dbraw/zinc/21/10/57/180211057.db2.gz WGRBGSXNXDQCGJ-JXTAAOLFSA-N 0 3 289.419 3.193 50 0 CGAAHN CC(C)=CC[C@@]1(CO)CCCN(Cc2ccccn2)C1 ZINC000091624729 180209252 /nfs/dbraw/zinc/20/92/52/180209252.db2.gz JHNNHEFGIXHXSK-KRWDZBQOSA-N 0 3 274.408 3.012 50 0 CGAAHN c1[nH]nc2cc(CN3CC[C@@H](Nc4ccccc4)C3)ccc12 ZINC000127075047 138388000 /nfs/dbraw/zinc/38/80/00/138388000.db2.gz GXIXVGFHVHXLHJ-QGZVFWFLSA-N 0 3 292.386 3.249 50 0 CGAAHN C/C(=C\c1ccccc1)CN1CCC(n2cncn2)CC1 ZINC000179702904 189214906 /nfs/dbraw/zinc/21/49/06/189214906.db2.gz HLGVIBIKGVHBAX-RVDMUPIBSA-N 0 3 282.391 3.019 50 0 CGAAHN COc1ccc(CNCc2ccc(C)cc2)cc1OC ZINC000000355379 368347166 /nfs/dbraw/zinc/34/71/66/368347166.db2.gz ODTQDKLLCBJJHE-UHFFFAOYSA-N 0 3 271.360 3.302 50 0 biogenic CGAAHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000002694398 368472811 /nfs/dbraw/zinc/47/28/11/368472811.db2.gz GSORGCKTOGAQPD-CVEARBPZSA-N 0 3 291.435 3.426 50 0 CGAAHN COc1ccc(-c2ccc(CNC[C@@H](C)O)o2)cc1Cl ZINC000004344244 368542884 /nfs/dbraw/zinc/54/28/84/368542884.db2.gz AWEZFGYWQMKKIQ-SNVBAGLBSA-N 0 3 295.766 3.079 50 0 CGAAHN Cc1ccc(CNCc2ccc3c(c2)OCO3)s1 ZINC000004488519 368546993 /nfs/dbraw/zinc/54/69/93/368546993.db2.gz XXZOSQCOGWRGAB-UHFFFAOYSA-N 0 3 261.346 3.075 50 0 CGAAHN CCOc1ccccc1CNCCc1ccccc1OC ZINC000013718758 368664022 /nfs/dbraw/zinc/66/40/22/368664022.db2.gz SOBDYTGSGKUBOC-UHFFFAOYSA-N 0 3 285.387 3.426 50 0 CGAAHN Cc1cccc(CN2CCN(C3CCCC3)CC2)c1 ZINC000019789408 368765421 /nfs/dbraw/zinc/76/54/21/368765421.db2.gz IJYLRRDOYJBNNB-UHFFFAOYSA-N 0 3 258.409 3.055 50 0 CGAAHN Cc1cccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)c1 ZINC000019789384 368765767 /nfs/dbraw/zinc/76/57/67/368765767.db2.gz WQCQTBZXCZECIR-GOSISDBHSA-N 0 3 284.447 3.469 50 0 CGAAHN Cc1ccccc1CN1CCN(C[C@H]2CC=CCC2)CC1 ZINC000019361664 368750436 /nfs/dbraw/zinc/75/04/36/368750436.db2.gz NGBBBABDNNOQAO-SFHVURJKSA-N 0 3 284.447 3.469 50 0 CGAAHN CCCCOc1ccc(CN2CCC[C@H](CO)C2)cc1 ZINC000023281575 368819544 /nfs/dbraw/zinc/81/95/44/368819544.db2.gz YVIWHNNMHVYXMF-INIZCTEOSA-N 0 3 277.408 3.070 50 0 CGAAHN COc1ccc(CC[C@@H](C)NCc2ccco2)cc1 ZINC000023283532 368819779 /nfs/dbraw/zinc/81/97/79/368819779.db2.gz RYSCDVYACDVDPI-CYBMUJFWSA-N 0 3 259.349 3.399 50 0 CGAAHN Cc1ccn2c(c1)nc(-c1ccccc1)c2CN(C)C ZINC000031933031 368920608 /nfs/dbraw/zinc/92/06/08/368920608.db2.gz PRSDSKZWNOOOPI-UHFFFAOYSA-N 0 3 265.360 3.371 50 0 CGAAHN O=C(NCc1ccccc1CN1CCCCC1)C1CCC1 ZINC000032778086 368944315 /nfs/dbraw/zinc/94/43/15/368944315.db2.gz VNQOWKADACVBAH-UHFFFAOYSA-N 0 3 286.419 3.089 50 0 CGAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@H](O)COCC(C)C ZINC000036099383 369008428 /nfs/dbraw/zinc/00/84/28/369008428.db2.gz BDOXPSWTKNOCFU-ZBFHGGJFSA-N 0 3 299.480 3.382 50 0 CGAAHN c1coc(CN[C@H]2CCCN(C3Cc4ccccc4C3)C2)c1 ZINC000039466719 369150336 /nfs/dbraw/zinc/15/03/36/369150336.db2.gz JFEMCXQHGFPPDW-KRWDZBQOSA-N 0 3 296.414 3.001 50 0 CGAAHN CC1(C)C=C[C@@H](N[C@H](CCO)c2ccccc2)CC1 ZINC000225633770 189760395 /nfs/dbraw/zinc/76/03/95/189760395.db2.gz PEOVOXZFHXVBHQ-HZPDHXFCSA-N 0 3 259.393 3.445 50 0 CGAAHN Cc1ccccc1NC(=O)CN[C@@H](C)c1ccccc1 ZINC000057350660 369535062 /nfs/dbraw/zinc/53/50/62/369535062.db2.gz BYAQQUZMBMUYPE-AWEZNQCLSA-N 0 3 268.360 3.284 50 0 CGAAHN CC1=C(C)[C@@H](NCCC(C)C)N(Cc2ccccc2)C1=O ZINC000057049719 369530996 /nfs/dbraw/zinc/53/09/96/369530996.db2.gz UIGRAISZOHKREJ-KRWDZBQOSA-N 0 3 286.419 3.327 50 0 CGAAHN CC[C@@H](C)C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 ZINC000058299341 369562961 /nfs/dbraw/zinc/56/29/61/369562961.db2.gz WTVDRYUFLSNQMS-ZIAGYGMSSA-N 0 3 294.464 3.122 50 0 CGAAHN COC[C@H](C)C1CCN(C/C=C/c2ccco2)CC1 ZINC000065504653 369681257 /nfs/dbraw/zinc/68/12/57/369681257.db2.gz SYENBQDHXKFSOZ-KQIUPUNMSA-N 0 3 263.381 3.287 50 0 CGAAHN CCC[C@@H]1SCCN1C(=O)c1cccc(CN(C)C)c1 ZINC000078966313 369956651 /nfs/dbraw/zinc/95/66/51/369956651.db2.gz LEPYKXDJUBQSDL-HNNXBMFYSA-N 0 3 292.448 3.063 50 0 CGAAHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCc1cccs1 ZINC000075572971 369914103 /nfs/dbraw/zinc/91/41/03/369914103.db2.gz WLERMCPYJVORCQ-SNPRPXQTSA-N 0 3 293.432 3.097 50 0 CGAAHN Cc1cccc([C@H](C)N2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000075738319 369917900 /nfs/dbraw/zinc/91/79/00/369917900.db2.gz UAZITUQQRCDWGP-RDJZCZTQSA-N 0 3 286.419 3.143 50 0 CGAAHN COc1ccc(OC)c([C@H]2CCCN2CCCCCO)c1 ZINC000083925553 370010699 /nfs/dbraw/zinc/01/06/99/370010699.db2.gz RIBJKKJQUBDZQH-MRXNPFEDSA-N 0 3 293.407 3.003 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532262 370062149 /nfs/dbraw/zinc/06/21/49/370062149.db2.gz AEHDOJTUQAXDDM-ZYHUDNBSSA-N 0 3 261.369 3.155 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@H](C)Cc2cc(C)[nH]n2)o1 ZINC000090532262 370062151 /nfs/dbraw/zinc/06/21/51/370062151.db2.gz AEHDOJTUQAXDDM-ZYHUDNBSSA-N 0 3 261.369 3.155 50 0 CGAAHN CCCC(=O)N[C@H]1CCCN(Cc2cccc3[nH]ccc32)C1 ZINC000092708693 370099571 /nfs/dbraw/zinc/09/95/71/370099571.db2.gz GPSZXJLRENHGHT-HNNXBMFYSA-N 0 3 299.418 3.049 50 0 CGAAHN CCN(Cc1ccoc1)Cc1cccc2c[nH]nc21 ZINC000092935847 370105526 /nfs/dbraw/zinc/10/55/26/370105526.db2.gz PDTISBNGMOXUKE-UHFFFAOYSA-N 0 3 255.321 3.178 50 0 CGAAHN CCC(=O)N1CC[C@H](NCc2ccc(Cl)o2)[C@H](CC)C1 ZINC000089948965 370051552 /nfs/dbraw/zinc/05/15/52/370051552.db2.gz GZWUECIEPHICFO-YPMHNXCESA-N 0 3 298.814 3.060 50 0 CGAAHN CN(Cc1ccc2ccccc2n1)[C@H]1CCSC1 ZINC000089936147 370052403 /nfs/dbraw/zinc/05/24/03/370052403.db2.gz GYWUUCKFHATTOV-AWEZNQCLSA-N 0 3 258.390 3.172 50 0 CGAAHN CN(Cc1ccc2ccccc2n1)[C@@H]1CCSC1 ZINC000089936146 370052694 /nfs/dbraw/zinc/05/26/94/370052694.db2.gz GYWUUCKFHATTOV-CQSZACIVSA-N 0 3 258.390 3.172 50 0 CGAAHN Cc1cnc([C@H]2CCCN(CCN3CCCCC3)C2)s1 ZINC000095399128 370182031 /nfs/dbraw/zinc/18/20/31/370182031.db2.gz VGALGFQUOBXTNV-HNNXBMFYSA-N 0 3 293.480 3.117 50 0 CGAAHN COC[C@@H]1CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000097660339 370249622 /nfs/dbraw/zinc/24/96/22/370249622.db2.gz IFIRYSVJQAOZQX-OAHLLOKOSA-N 0 3 291.439 3.001 50 0 CGAAHN N[C@@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000095835706 370201887 /nfs/dbraw/zinc/20/18/87/370201887.db2.gz PKUAXIJJZUGPIS-SNVBAGLBSA-N 0 3 268.154 3.154 50 0 CGAAHN C[C@@H](CC1CC1)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000095978010 370203176 /nfs/dbraw/zinc/20/31/76/370203176.db2.gz SARBOGBRIHFCJQ-SWLSCSKDSA-N 0 3 290.382 3.099 50 0 CGAAHN CCNc1ccnc(-c2ccc([C@H](C)N(C)C)cc2)n1 ZINC000097785643 370255075 /nfs/dbraw/zinc/25/50/75/370255075.db2.gz CSXWJNNISDJDKQ-LBPRGKRZSA-N 0 3 270.380 3.198 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000103341810 370324242 /nfs/dbraw/zinc/32/42/42/370324242.db2.gz ZXMNJAJUOMJFSU-MNOVXSKESA-N 0 3 288.313 3.306 50 0 CGAAHN C[C@H](N[C@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793884 370451817 /nfs/dbraw/zinc/45/18/17/370451817.db2.gz CQXQAIDOZIYLOU-JQWIXIFHSA-N 0 3 271.307 3.118 50 0 CGAAHN Cc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)o1 ZINC000134789082 371364836 /nfs/dbraw/zinc/36/48/36/371364836.db2.gz HICNCZLMQPSFKT-VIRABCJISA-N 0 3 261.365 3.196 50 0 CGAAHN CC(C)c1nnc(-c2ccc(CN(C)C)cc2)s1 ZINC000426444738 372160250 /nfs/dbraw/zinc/16/02/50/372160250.db2.gz WTEWELVLOJGLGJ-UHFFFAOYSA-N 0 3 261.394 3.390 50 0 CGAAHN CSCCCN(Cc1ccccc1)C[C@@H]1CCCO1 ZINC000173561014 373158028 /nfs/dbraw/zinc/15/80/28/373158028.db2.gz CSLOYOCPICOEOH-INIZCTEOSA-N 0 3 279.449 3.421 50 0 CGAAHN OCc1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)o1 ZINC000092221651 541972311 /nfs/dbraw/zinc/97/23/11/541972311.db2.gz MFBNIFUFOTYRLW-GOSISDBHSA-N 0 3 283.371 3.424 50 0 CGAAHN Cc1ccc([C@@H](C)CCN(C)Cc2cn(C)nc2C)o1 ZINC000215984833 376154846 /nfs/dbraw/zinc/15/48/46/376154846.db2.gz ZFNIOWFUTAXNKD-LBPRGKRZSA-N 0 3 275.396 3.256 50 0 CGAAHN C[C@H](c1ccccc1)N1CC[C@@H](NCc2cccnc2)C1 ZINC000229315879 376462817 /nfs/dbraw/zinc/46/28/17/376462817.db2.gz LREUFWQPTRHVSA-CRAIPNDOSA-N 0 3 281.403 3.007 50 0 CGAAHN C[C@@H]1CCCC[C@@H]1OCCN1CCS[C@@H](C)[C@H]1C ZINC000240897266 376776111 /nfs/dbraw/zinc/77/61/11/376776111.db2.gz IRRIGORCGFNXCU-KBXIAJHMSA-N 0 3 271.470 3.408 50 0 CGAAHN CC(C)(C)SCCN1CCCN(CC(F)(F)F)CC1 ZINC000242273585 376781003 /nfs/dbraw/zinc/78/10/03/376781003.db2.gz YEDXYAYAWUHQSL-UHFFFAOYSA-N 0 3 298.418 3.088 50 0 CGAAHN C[C@H](NCC[C@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910193 377108026 /nfs/dbraw/zinc/10/80/26/377108026.db2.gz WJRSGSYBZSRAQR-ILXRZTDVSA-N 0 3 287.407 3.190 50 0 CGAAHN COc1ccc(CN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 ZINC000000220564 169579195 /nfs/dbraw/zinc/57/91/95/169579195.db2.gz SJINWKBTSYPSBC-CHWSQXEVSA-N 0 3 263.381 3.182 50 0 CGAAHN COc1c(Br)cc(Cl)cc1[C@@H](C)N ZINC000019967844 391937113 /nfs/dbraw/zinc/93/71/13/391937113.db2.gz XABWPUBZANXIIC-RXMQYKEDSA-N 0 3 264.550 3.131 50 0 CGAAHN Fc1ccc([C@H]2CNC[C@H](c3ccccc3)O2)cc1 ZINC000035285265 391974772 /nfs/dbraw/zinc/97/47/72/391974772.db2.gz ARMWCMRIECSWLI-HZPDHXFCSA-N 0 3 257.308 3.228 50 0 CGAAHN CC1(C)CO[C@H](c2cccc(C(F)(F)F)c2)CN1 ZINC000036672994 391976855 /nfs/dbraw/zinc/97/68/55/391976855.db2.gz YBCKMFNWWPEEIS-NSHDSACASA-N 0 3 259.271 3.145 50 0 CGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C(C)(C)C ZINC000008320468 397603874 /nfs/dbraw/zinc/60/38/74/397603874.db2.gz GEXNGOWIYXVINF-ZBFHGGJFSA-N 0 3 286.419 3.175 50 0 CGAAHN CO[C@H](CNCc1ccc(NC(C)=O)cc1)c1ccccc1 ZINC000058217744 397637584 /nfs/dbraw/zinc/63/75/84/397637584.db2.gz RUFRTSQBZKMYFG-GOSISDBHSA-N 0 3 298.386 3.122 50 0 CGAAHN O=C(c1ccccc1)c1ccc(OCCN2CCCC2)cc1 ZINC000004845111 170029565 /nfs/dbraw/zinc/02/95/65/170029565.db2.gz VRZKEEUKXJSGLE-UHFFFAOYSA-N 0 3 295.382 3.392 50 0 CGAAHN Clc1cccc(CNC[C@@H]2CCCO2)c1Cl ZINC000005019365 170056692 /nfs/dbraw/zinc/05/66/92/170056692.db2.gz OWBZUMFNTRZPAU-JTQLQIEISA-N 0 3 260.164 3.262 50 0 CGAAHN COc1ccc(Br)cc1CNC(C)(C)C ZINC000005817169 170142927 /nfs/dbraw/zinc/14/29/27/170142927.db2.gz OSRCPPJOVXRVKE-UHFFFAOYSA-N 0 3 272.186 3.346 50 0 CGAAHN CCc1nc2ccccc2c(NC(=O)CNC(C)(C)C)c1C ZINC000006350989 170194709 /nfs/dbraw/zinc/19/47/09/170194709.db2.gz GIJPQWZWEFIABL-UHFFFAOYSA-N 0 3 299.418 3.432 50 0 CGAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCC[C@H](C)C1 ZINC000008700913 170346762 /nfs/dbraw/zinc/34/67/62/170346762.db2.gz ULYRNJXBIWKSGT-LBPRGKRZSA-N 0 3 270.376 3.481 50 0 biogenic CGAAHN CC[C@H](C)c1ccc(OCCN2CCN(CC)CC2)cc1 ZINC000020390509 171179438 /nfs/dbraw/zinc/17/94/38/171179438.db2.gz DLXYBNFBIUNOOD-INIZCTEOSA-N 0 3 290.451 3.216 50 0 CGAAHN CCN(CC)[C@H](CNC(=O)c1ccco1)c1ccccc1 ZINC000022752161 171397285 /nfs/dbraw/zinc/39/72/85/171397285.db2.gz FPUWCTVNLWJALX-OAHLLOKOSA-N 0 3 286.375 3.093 50 0 CGAAHN CCC[C@@H](C(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000039975625 174180468 /nfs/dbraw/zinc/18/04/68/174180468.db2.gz UYOCXFLNXXFTNX-IAGOWNOFSA-N 0 3 288.435 3.171 50 0 CGAAHN c1cnn(-c2ccccc2CNCc2ccccc2)c1 ZINC000040495473 174294454 /nfs/dbraw/zinc/29/44/54/174294454.db2.gz NFXBKSLSWYIGAD-UHFFFAOYSA-N 0 3 263.344 3.162 50 0 CGAAHN Cc1cccc(C)c1NC(=O)NCCN1CCC(C)CC1 ZINC000040526386 174314011 /nfs/dbraw/zinc/31/40/11/174314011.db2.gz YSFVRUVZKUAMSI-UHFFFAOYSA-N 0 3 289.423 3.157 50 0 CGAAHN CN(C)[C@@H](CNCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000062705772 175672013 /nfs/dbraw/zinc/67/20/13/175672013.db2.gz WIOYGSDXGBPAMP-ZDUSSCGKSA-N 0 3 298.308 3.089 50 0 CGAAHN COc1ccc(F)cc1CN[C@@H](C)[C@@H](C)n1cc(C)cn1 ZINC000069616212 175842732 /nfs/dbraw/zinc/84/27/32/175842732.db2.gz POEPROUTEOXNGF-QWHCGFSZSA-N 0 3 291.370 3.079 50 0 CGAAHN CC[C@H](c1ccc(F)cc1)N1CCC[C@H](n2cncn2)C1 ZINC000071915667 176299064 /nfs/dbraw/zinc/29/90/64/176299064.db2.gz OSBJGWCSQFXKRI-JKSUJKDBSA-N 0 3 288.370 3.205 50 0 CGAAHN Cc1nccn1CCCN1CCCC[C@@H]1c1ccccn1 ZINC000072129223 176321230 /nfs/dbraw/zinc/32/12/30/176321230.db2.gz SOAYQLRGXFRBSZ-QGZVFWFLSA-N 0 3 284.407 3.204 50 0 CGAAHN Cc1ccc(CN2CCC(OCc3cccnc3)CC2)o1 ZINC000072168919 176332107 /nfs/dbraw/zinc/33/21/07/176332107.db2.gz AISZXWMCHVMFSX-UHFFFAOYSA-N 0 3 286.375 3.164 50 0 CGAAHN CSc1ccc(OCCN(C)C[C@H]2CCCCO2)cc1 ZINC000072304868 176365922 /nfs/dbraw/zinc/36/59/22/176365922.db2.gz CABGCSUTAYYNJM-OAHLLOKOSA-N 0 3 295.448 3.288 50 0 CGAAHN Cc1nn(C)c(C)c1[C@H](C)NC/C=C/c1ccccc1 ZINC000078553144 177353405 /nfs/dbraw/zinc/35/34/05/177353405.db2.gz CGGIHWNBIZSMDI-YKWSONSWSA-N 0 3 269.392 3.401 50 0 CGAAHN C[C@@H](NCc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000000174660 274252635 /nfs/dbraw/zinc/25/26/35/274252635.db2.gz YPPYOQYQJOKSGG-DYVFJYSZSA-N 0 3 269.344 3.005 50 0 CGAAHN CN1CCC[C@H](CO)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000101418323 277074093 /nfs/dbraw/zinc/07/40/93/277074093.db2.gz XQZHTFMWFSPRFQ-DGCLKSJQSA-N 0 3 273.298 3.081 50 0 CGAAHN COC(CN[C@H]1CCCc2c3cc(C)ccc3[nH]c21)OC ZINC000000200156 277461337 /nfs/dbraw/zinc/46/13/37/277461337.db2.gz GSXRCCZMEJMMRI-HNNXBMFYSA-N 0 3 288.391 3.062 50 0 biogenic CGAAHN COc1ccc2nc(C)cc(N3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000006823822 278002314 /nfs/dbraw/zinc/00/23/14/278002314.db2.gz LMJXRJNCKLMDRB-CHWSQXEVSA-N 0 3 286.375 3.165 50 0 CGAAHN CC(C)(C)[S@@](=O)CCN[C@H]1CCSc2ccccc21 ZINC000095968109 278555524 /nfs/dbraw/zinc/55/55/24/278555524.db2.gz OFORJAQZVLJMQJ-ORAYPTAESA-N 0 3 297.489 3.360 50 0 CGAAHN CCc1nccn1CCN1CCC[C@H]1c1ccccc1OC ZINC000252510270 328105995 /nfs/dbraw/zinc/10/59/95/328105995.db2.gz ZFWAUHYETWVQGK-INIZCTEOSA-N 0 3 299.418 3.291 50 0 CGAAHN Fc1ccc(-c2cc(CN[C@H]3CCCSC3)on2)cc1 ZINC000534661401 328349530 /nfs/dbraw/zinc/34/95/30/328349530.db2.gz KSLUUMNBJTVTQA-ZDUSSCGKSA-N 0 3 292.379 3.466 50 0 CGAAHN COc1ccc(CN2CCC(C)CC2)c(OC)c1C ZINC000023281769 926834588 /nfs/dbraw/zinc/83/45/88/926834588.db2.gz ULCGHXPJZVBVDJ-UHFFFAOYSA-N 0 3 263.381 3.244 50 0 CGAAHN Cc1ccc(NCc2nc(C)ccc2O)c(CN(C)C)c1 ZINC000096482886 230380603 /nfs/dbraw/zinc/38/06/03/230380603.db2.gz ZIYORCWQMPVNAO-UHFFFAOYSA-N 0 3 285.391 3.078 50 0 CGAAHN c1c2ccccc2oc1[C@@H](N[C@@H]1CCOC1)C1CC1 ZINC000097016918 230386386 /nfs/dbraw/zinc/38/63/86/230386386.db2.gz DGGZQAJMRKZKSN-CJNGLKHVSA-N 0 3 257.333 3.262 50 0 CGAAHN CCc1nccn1[C@@H]1CCCN(CCOc2ccccc2)C1 ZINC000106217013 345929797 /nfs/dbraw/zinc/92/97/97/345929797.db2.gz CQSHWPHPSTVAFI-MRXNPFEDSA-N 0 3 299.418 3.161 50 0 CGAAHN C[C@]1(CO)CCCN1Cc1cccc(OC2CCCC2)c1 ZINC000170088996 346193707 /nfs/dbraw/zinc/19/37/07/346193707.db2.gz RUVHGKCFPYNAQS-GOSISDBHSA-N 0 3 289.419 3.355 50 0 CGAAHN C[C@@H](C1CC1)N(Cc1ccccc1)Cc1cccc(N)n1 ZINC000170616824 346195692 /nfs/dbraw/zinc/19/56/92/346195692.db2.gz ZAVDLVJMMQUMEG-AWEZNQCLSA-N 0 3 281.403 3.465 50 0 CGAAHN CC[C@@H](NC[C@@H](O)c1ccco1)c1ccccc1F ZINC000195553455 346272736 /nfs/dbraw/zinc/27/27/36/346272736.db2.gz YMMQFQIATFFQTR-ZIAGYGMSSA-N 0 3 263.312 3.193 50 0 CGAAHN CCN(CC)Cc1cc(F)cc(Br)c1 ZINC000086657821 179316392 /nfs/dbraw/zinc/31/63/92/179316392.db2.gz YORLJVGPJYCIPS-UHFFFAOYSA-N 0 3 260.150 3.430 50 0 CGAAHN CC[C@@]1(CO)CCCN(Cc2cc3ccccc3n2C)C1 ZINC000091586203 180199696 /nfs/dbraw/zinc/19/96/96/180199696.db2.gz QTCVEPRNLKEOJF-GOSISDBHSA-N 0 3 286.419 3.163 50 0 CGAAHN CCc1ccc(CN2CCC[C@](CO)(CC3CC3)C2)nc1 ZINC000091707922 180230864 /nfs/dbraw/zinc/23/08/64/180230864.db2.gz SGTKQPTXLJNCPC-SFHVURJKSA-N 0 3 288.435 3.019 50 0 CGAAHN O[C@@H]1CCN(Cc2ccsc2)[C@H](c2ccccc2)C1 ZINC000636440461 351761952 /nfs/dbraw/zinc/76/19/52/351761952.db2.gz FQRWPENVTWUZJJ-CVEARBPZSA-N 0 3 273.401 3.446 50 0 CGAAHN COc1cc2c(cc1OC)CN(C[C@@H]1CC=CCC1)CC2 ZINC000000216411 368316629 /nfs/dbraw/zinc/31/66/29/368316629.db2.gz ADJAGZGQSFFFCM-CQSZACIVSA-N 0 3 287.403 3.418 50 0 CGAAHN CN(C)CCOC(c1ccccc1)c1ccccc1 ZINC000000020244 368270993 /nfs/dbraw/zinc/27/09/93/368270993.db2.gz ZZVUWRFHKOJYTH-UHFFFAOYSA-N 0 3 255.361 3.354 50 0 fda CGAAHN Cc1c(C)n(C[C@@H](O)CNCc2ccco2)c2ccccc12 ZINC000000086827 368285204 /nfs/dbraw/zinc/28/52/04/368285204.db2.gz ATYFJNBTKOAQSM-HNNXBMFYSA-N 0 3 298.386 3.002 50 0 CGAAHN CN1CC=C(CNc2cccc3c2CCCC3)CC1 ZINC000000287875 368332978 /nfs/dbraw/zinc/33/29/78/368332978.db2.gz FECKTPOVZVMFFA-UHFFFAOYSA-N 0 3 256.393 3.239 50 0 CGAAHN COc1ccc(CN2CCC[C@H](C)C2)c(OC)c1C ZINC000000757374 368393523 /nfs/dbraw/zinc/39/35/23/368393523.db2.gz CPZRJBXSFFVIST-LBPRGKRZSA-N 0 3 263.381 3.244 50 0 CGAAHN COc1ccc2c(CN3CCCCCC3)cc(=O)oc2c1 ZINC000002120887 368447234 /nfs/dbraw/zinc/44/72/34/368447234.db2.gz IQDBRQIFFRQXAN-UHFFFAOYSA-N 0 3 287.359 3.178 50 0 biogenic CGAAHN CC(=O)Nc1sc2c(c1CN1CCCC1)CCCC2 ZINC000003181850 368495258 /nfs/dbraw/zinc/49/52/58/368495258.db2.gz DJMPDRJQNKEUOU-UHFFFAOYSA-N 0 3 278.421 3.181 50 0 CGAAHN CCOC(=O)C[C@H](N)c1cccc(OCc2ccccc2)c1 ZINC000003678292 368517788 /nfs/dbraw/zinc/51/77/88/368517788.db2.gz TVWKLNXMDCBTOL-KRWDZBQOSA-N 0 3 299.370 3.219 50 0 CGAAHN CCCSc1ccc(C(=O)CCN(C)C)cc1 ZINC000004676978 368556083 /nfs/dbraw/zinc/55/60/83/368556083.db2.gz DSRBJHWGYDOQGS-UHFFFAOYSA-N 0 3 251.395 3.323 50 0 CGAAHN COc1ccc2ccccc2c1CNC[C@@H]1CCCO1 ZINC000004488533 368547377 /nfs/dbraw/zinc/54/73/77/368547377.db2.gz OASAONSBMYZACM-AWEZNQCLSA-N 0 3 271.360 3.117 50 0 CGAAHN CCOc1ccc(CNC2CC2)cc1Br ZINC000010475291 368583965 /nfs/dbraw/zinc/58/39/65/368583965.db2.gz LKARQRCDXJIPCH-UHFFFAOYSA-N 0 3 270.170 3.100 50 0 CGAAHN O=C(NCCN1CCCCC1)c1cccc2ccccc21 ZINC000016604083 368717036 /nfs/dbraw/zinc/71/70/36/368717036.db2.gz ZNLBWORIRJRVLU-UHFFFAOYSA-N 0 3 282.387 3.056 50 0 CGAAHN CC[C@@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000016606467 368717101 /nfs/dbraw/zinc/71/71/01/368717101.db2.gz IEABTCNVQWOLJQ-OAHLLOKOSA-N 0 3 288.435 3.122 50 0 CGAAHN CC(C)c1cc(C(=O)NCCN2CCCCC2)cs1 ZINC000016605341 368717650 /nfs/dbraw/zinc/71/76/50/368717650.db2.gz DWYBWIJGKKMYOK-UHFFFAOYSA-N 0 3 280.437 3.087 50 0 CGAAHN CN(C)[C@@H](CNc1ncnc2ccccc21)c1cccs1 ZINC000014166579 368675037 /nfs/dbraw/zinc/67/50/37/368675037.db2.gz DBMNIBSWJSQCIZ-AWEZNQCLSA-N 0 3 298.415 3.406 50 0 CGAAHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccccc2Cl)C1 ZINC000125873511 370941862 /nfs/dbraw/zinc/94/18/62/370941862.db2.gz YSEJYDXQPIVVOE-NEPJUHHUSA-N 0 3 280.799 3.002 50 0 CGAAHN CC(C)N1CCN(Cc2ccc3ccccc3c2)CC1 ZINC000019789522 368767697 /nfs/dbraw/zinc/76/76/97/368767697.db2.gz FGIMVCSDZNLZNX-UHFFFAOYSA-N 0 3 268.404 3.366 50 0 CGAAHN COc1ccc(CN2[C@@H](C)CCC[C@@H]2C)cc1OC ZINC000033646609 368968288 /nfs/dbraw/zinc/96/82/88/368968288.db2.gz SKNKDSZKBFMMPB-STQMWFEESA-N 0 3 263.381 3.467 50 0 CGAAHN Cc1cc(Cl)cc2sc(NCCN(C)C)nc21 ZINC000036657610 369024672 /nfs/dbraw/zinc/02/46/72/369024672.db2.gz ICZFEYBZGYCXSE-UHFFFAOYSA-N 0 3 269.801 3.232 50 0 CGAAHN Cc1ccc([C@H](C)NC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000037764946 369106658 /nfs/dbraw/zinc/10/66/58/369106658.db2.gz VBLJUSMRKMLGQS-WMLDXEAASA-N 0 3 282.387 3.262 50 0 CGAAHN Cc1cccc(N2CCN(CCc3ccccc3)CC2)c1 ZINC000040017925 369151864 /nfs/dbraw/zinc/15/18/64/369151864.db2.gz RDMIQVOXAAVMCP-UHFFFAOYSA-N 0 3 280.415 3.360 50 0 CGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049590124 369411367 /nfs/dbraw/zinc/41/13/67/369411367.db2.gz ZSIJQKNFGDQLHE-KRWDZBQOSA-N 0 3 282.387 3.054 50 0 CGAAHN Cc1noc(C)c1CN(C)CCc1ccc(F)cc1 ZINC000055022916 369509422 /nfs/dbraw/zinc/50/94/22/369509422.db2.gz XVAYAIVKRZCTBK-UHFFFAOYSA-N 0 3 262.328 3.105 50 0 CGAAHN FC(F)(F)c1cccc(OCCN2CCCC2)c1 ZINC000065337411 369668151 /nfs/dbraw/zinc/66/81/51/369668151.db2.gz SIMUFYNZEAJCIK-UHFFFAOYSA-N 0 3 259.271 3.180 50 0 CGAAHN Cc1nc(CN(C)CC23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000065403400 369673659 /nfs/dbraw/zinc/67/36/59/369673659.db2.gz ILTOYAJFPAXHEE-UHFFFAOYSA-N 0 3 273.424 3.366 50 0 CGAAHN Cc1ncc(CN(C)CC23CC4CC(CC(C4)C2)C3)[nH]1 ZINC000065403400 369673662 /nfs/dbraw/zinc/67/36/62/369673662.db2.gz ILTOYAJFPAXHEE-UHFFFAOYSA-N 0 3 273.424 3.366 50 0 CGAAHN C[C@@H]1CN(c2ccccc2)CCN1Cc1cccs1 ZINC000065421570 369675364 /nfs/dbraw/zinc/67/53/64/369675364.db2.gz QLPFDPQDJQECNS-CQSZACIVSA-N 0 3 272.417 3.459 50 0 CGAAHN CC[C@H]1CN(C/C(C)=C/c2ccco2)CCN1C(C)C ZINC000065467204 369677011 /nfs/dbraw/zinc/67/70/11/369677011.db2.gz CLDGWVZNMUUTOI-SFKKXYGYSA-N 0 3 276.424 3.488 50 0 CGAAHN CC(C)OCCN1CCC(OCc2ccccc2)CC1 ZINC000069451934 369760550 /nfs/dbraw/zinc/76/05/50/369760550.db2.gz KOUZXTXVVKAFAV-UHFFFAOYSA-N 0 3 277.408 3.093 50 0 CGAAHN CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 ZINC000069624546 369766843 /nfs/dbraw/zinc/76/68/43/369766843.db2.gz RNBLFCHVTMMGDK-RYUDHWBXSA-N 0 3 296.798 3.022 50 0 CGAAHN CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1C ZINC000069776695 369770720 /nfs/dbraw/zinc/77/07/20/369770720.db2.gz IOPGFDMOEJNSMP-KGLIPLIRSA-N 0 3 292.448 3.145 50 0 CGAAHN C(=C/c1cccc(N2CCNCC2)c1)\c1ccccc1 ZINC000067883638 369733096 /nfs/dbraw/zinc/73/30/96/369733096.db2.gz GGWCGLDPZZEVKQ-MDZDMXLPSA-N 0 3 264.372 3.267 50 0 CGAAHN CN1CCCc2c(c3ccccc3n2-c2ccncc2)C1 ZINC000075567372 369913893 /nfs/dbraw/zinc/91/38/93/369913893.db2.gz AOMBYKRBLJVRBN-UHFFFAOYSA-N 0 3 277.371 3.404 50 0 CGAAHN Cc1noc(CCN[C@H](C)c2cc3ccccc3o2)n1 ZINC000089518355 370042468 /nfs/dbraw/zinc/04/24/68/370042468.db2.gz BAYKOIQUOGXVMA-SNVBAGLBSA-N 0 3 271.320 3.018 50 0 CGAAHN CC(=O)Nc1cccc([C@H](C)N[C@@H]2C=CCCC2)c1 ZINC000090393089 370060502 /nfs/dbraw/zinc/06/05/02/370060502.db2.gz DNXKNOODCZUJDD-SWLSCSKDSA-N 0 3 258.365 3.404 50 0 CGAAHN C/C(=C/c1ccccc1)CN1CCC[C@@H](CCC(N)=O)C1 ZINC000092660379 370099213 /nfs/dbraw/zinc/09/92/13/370099213.db2.gz DFBNOGSLOXRTIC-KSVUCXBSSA-N 0 3 286.419 3.067 50 0 CGAAHN CCCCCC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000089953348 370052239 /nfs/dbraw/zinc/05/22/39/370052239.db2.gz WRTIRNURNBSWKP-QGZVFWFLSA-N 0 3 288.435 3.348 50 0 CGAAHN NC(=O)C[C@@H]1CCCN(Cc2ccc(-c3ccccc3)o2)C1 ZINC000093808383 370159869 /nfs/dbraw/zinc/15/98/69/370159869.db2.gz YOSLNQOYIQUNRF-AWEZNQCLSA-N 0 3 298.386 3.034 50 0 CGAAHN COc1ccc(/C=C/CN(C)CC2(CO)CCCC2)cc1 ZINC000097814972 370254469 /nfs/dbraw/zinc/25/44/69/370254469.db2.gz ZLWPHCBDIZHYPR-AATRIKPKSA-N 0 3 289.419 3.193 50 0 CGAAHN Cc1ccc([C@@H](C)NC[C@@H](O)c2ccco2)cc1C ZINC000095419724 370187154 /nfs/dbraw/zinc/18/71/54/370187154.db2.gz YBRGSHZTSUGEIC-UKRRQHHQSA-N 0 3 259.349 3.281 50 0 CGAAHN CC(C)[C@H]1CCC[C@@H](NCc2nncn2C2CC2)CC1 ZINC000095434012 370192935 /nfs/dbraw/zinc/19/29/35/370192935.db2.gz YPKFWYZOYDRZBI-UONOGXRCSA-N 0 3 276.428 3.308 50 0 CGAAHN COc1c(C)cnc(CN[C@@H]2CC(C)(C)OC2(C)C)c1C ZINC000132614017 371188717 /nfs/dbraw/zinc/18/87/17/371188717.db2.gz MCBKZSUNBGJUTM-CQSZACIVSA-N 0 3 292.423 3.143 50 0 CGAAHN COC1([C@@H](C)NCc2scnc2C)CCCCC1 ZINC000421832776 371657268 /nfs/dbraw/zinc/65/72/68/371657268.db2.gz NAZMYXCIRKOUFH-GFCCVEGCSA-N 0 3 268.426 3.279 50 0 CGAAHN Cc1nc(C)c(-c2ccc([C@@H](C)N3CCOCC3)cc2)[nH]1 ZINC000426597393 372166034 /nfs/dbraw/zinc/16/60/34/372166034.db2.gz KULZXWAGPXQYKZ-CYBMUJFWSA-N 0 3 285.391 3.087 50 0 CGAAHN CC[C@H](C)N1CCC(O)(c2c(F)cccc2F)CC1 ZINC000192833248 375792966 /nfs/dbraw/zinc/79/29/66/375792966.db2.gz FGDMBEGHVYBYTC-NSHDSACASA-N 0 3 269.335 3.047 50 0 CGAAHN Cc1nc2ccccc2nc1CN(C)CCC[C@@H]1CCCO1 ZINC000215311604 376146473 /nfs/dbraw/zinc/14/64/73/376146473.db2.gz GUTRMXMDBIWCIM-OAHLLOKOSA-N 0 3 299.418 3.329 50 0 CGAAHN Cc1nc[nH]c1CN1CCCC[C@H]1CCc1ccccn1 ZINC000216427201 376164034 /nfs/dbraw/zinc/16/40/34/376164034.db2.gz IGCRKPBXEYZZCB-INIZCTEOSA-N 0 3 284.407 3.100 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN[C@@H](C)CCO)o1 ZINC000225406771 376308053 /nfs/dbraw/zinc/30/80/53/376308053.db2.gz AWCKWCZSXHDVHY-NSHDSACASA-N 0 3 277.339 3.255 50 0 CGAAHN COc1ncccc1N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000225457033 376311725 /nfs/dbraw/zinc/31/17/25/376311725.db2.gz QOQVHAKZOIODLQ-GDBMZVCRSA-N 0 3 297.402 3.338 50 0 CGAAHN CCc1nn(C)cc1CN1CCC[C@@H]1c1ccc(O)cc1 ZINC000225548133 376316714 /nfs/dbraw/zinc/31/67/14/376316714.db2.gz DMGAGTBEDWGFHP-QGZVFWFLSA-N 0 3 285.391 3.025 50 0 CGAAHN Cc1noc(C)c1CN(C)CCCCC1CCOCC1 ZINC000225626294 376320341 /nfs/dbraw/zinc/32/03/41/376320341.db2.gz PELWRXBAWQZNPI-UHFFFAOYSA-N 0 3 280.412 3.320 50 0 CGAAHN CN(CCc1ccccn1)[C@@H](c1ccccn1)C1CC1 ZINC000244817095 376799098 /nfs/dbraw/zinc/79/90/98/376799098.db2.gz SUGUGQNBDYHJRW-QGZVFWFLSA-N 0 3 267.376 3.102 50 0 CGAAHN Cc1nc(CCN(C)CC[C@H](O)c2ccccc2)cs1 ZINC000252509522 377635699 /nfs/dbraw/zinc/63/56/99/377635699.db2.gz YOZSEXPPPOJLGB-INIZCTEOSA-N 0 3 290.432 3.050 50 0 CGAAHN Cc1cccc([C@@H](C)NC(=O)C23CCCN2CCC3)c1C ZINC000253404726 377689133 /nfs/dbraw/zinc/68/91/33/377689133.db2.gz PWDDBDCMTNIMEV-OAHLLOKOSA-N 0 3 286.419 3.109 50 0 CGAAHN Fc1ccc([C@@H]2OCC[C@H]2CNCc2cscn2)cc1 ZINC000585081517 378397269 /nfs/dbraw/zinc/39/72/69/378397269.db2.gz RZTRVQGHPBDIES-WFASDCNBSA-N 0 3 292.379 3.150 50 0 CGAAHN CN(Cc1cnc2ccccc2c1)[C@@H]1CCSC1 ZINC000271046230 378438419 /nfs/dbraw/zinc/43/84/19/378438419.db2.gz MCWBVKDZDOSSRK-CQSZACIVSA-N 0 3 258.390 3.172 50 0 CGAAHN C[C@@H](N[C@H]1CCSC1)c1ccc(Br)cn1 ZINC000279778407 379514589 /nfs/dbraw/zinc/51/45/89/379514589.db2.gz LCOSCHKTTNYCRL-SCZZXKLOSA-N 0 3 287.226 3.000 50 0 CGAAHN Clc1ccc(CNCc2cccnc2-n2cccn2)cc1 ZINC000095350113 184949670 /nfs/dbraw/zinc/94/96/70/184949670.db2.gz FGQCULHJFJWURA-UHFFFAOYSA-N 0 3 298.777 3.211 50 0 CGAAHN Clc1cccc(CNCc2cccnc2-n2cccn2)c1 ZINC000095350107 184949724 /nfs/dbraw/zinc/94/97/24/184949724.db2.gz NCVBNOFJILAAQK-UHFFFAOYSA-N 0 3 298.777 3.211 50 0 CGAAHN COc1ccc(CN(C)C[C@@H]2CCCCO2)c(C)c1 ZINC000215455747 392987549 /nfs/dbraw/zinc/98/75/49/392987549.db2.gz JRURNLCFNZWASH-INIZCTEOSA-N 0 3 263.381 3.005 50 0 CGAAHN CCc1ccccc1Cc1noc(CC2CCN(C)CC2)n1 ZINC000585084238 542769105 /nfs/dbraw/zinc/76/91/05/542769105.db2.gz QDELOGUTUUGUGE-UHFFFAOYSA-N 0 3 299.418 3.107 50 0 CGAAHN CC[N@@H+]1CCCC[C@@H]1C[N-]c1nc(-c2ccccc2)no1 ZINC000674263124 543278257 /nfs/dbraw/zinc/27/82/57/543278257.db2.gz SZEPSZDWTYHRTD-CQSZACIVSA-N 0 3 286.379 3.023 50 0 CGAAHN CC[N@H+]1CCCC[C@@H]1C[N-]c1nc(-c2ccccc2)no1 ZINC000674263124 543278260 /nfs/dbraw/zinc/27/82/60/543278260.db2.gz SZEPSZDWTYHRTD-CQSZACIVSA-N 0 3 286.379 3.023 50 0 CGAAHN CC(=O)c1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000004842804 170028980 /nfs/dbraw/zinc/02/89/80/170028980.db2.gz GUJMBRIMFOMAJZ-ZIAGYGMSSA-N 0 3 275.392 3.246 50 0 CGAAHN Cc1ccc(CNCc2ccc3c(c2)OCO3)c(C)c1 ZINC000004891685 170036835 /nfs/dbraw/zinc/03/68/35/170036835.db2.gz QZEZWZXTAIGYBG-UHFFFAOYSA-N 0 3 269.344 3.322 50 0 CGAAHN O=C(CSc1nc[nH]n1)c1ccc(Cl)cc1Cl ZINC000006414199 170199391 /nfs/dbraw/zinc/19/93/91/170199391.db2.gz MXSCONFOIKTNJK-UHFFFAOYSA-N 0 3 288.159 3.087 50 0 CGAAHN CCOc1cccc(CNCc2ccc(OC)cc2)c1 ZINC000007538505 170290374 /nfs/dbraw/zinc/29/03/74/170290374.db2.gz MLXUYDQOYOTPRK-UHFFFAOYSA-N 0 3 271.360 3.384 50 0 CGAAHN COc1ccc(C)cc1CNCCOc1ccc(C)cc1 ZINC000007736185 170299716 /nfs/dbraw/zinc/29/97/16/170299716.db2.gz PITJOWYCTIXNMO-UHFFFAOYSA-N 0 3 285.387 3.481 50 0 CGAAHN Cc1cc(NC(=O)[C@@H](NC2CCCC2)c2ccccc2)no1 ZINC000008704328 170347799 /nfs/dbraw/zinc/34/77/99/170347799.db2.gz QPMAHIHRLOICCH-INIZCTEOSA-N 0 3 299.374 3.195 50 0 CGAAHN c1ccc(CN2CCC(Nc3ccccn3)CC2)cc1 ZINC000008731137 170351364 /nfs/dbraw/zinc/35/13/64/170351364.db2.gz KHSFZCPGVFDBKX-UHFFFAOYSA-N 0 3 267.376 3.158 50 0 CGAAHN Cc1nc(-c2ccncc2)ncc1[C@H](C)NC1CCC1 ZINC000012706648 170505187 /nfs/dbraw/zinc/50/51/87/170505187.db2.gz FGYYILWSQWFIAB-NSHDSACASA-N 0 3 268.364 3.050 50 0 CGAAHN CC(C)C[C@@H](CNCc1c(F)cccc1F)N(C)C ZINC000020201122 171065426 /nfs/dbraw/zinc/06/54/26/171065426.db2.gz NINYQBLGEZOXTH-LBPRGKRZSA-N 0 3 270.367 3.031 50 0 CGAAHN FC(F)Oc1ccc(Cl)cc1CNC[C@H]1CCCO1 ZINC000035223357 172067173 /nfs/dbraw/zinc/06/71/73/172067173.db2.gz VRMCUVTYDXMADF-LLVKDONJSA-N 0 3 291.725 3.210 50 0 CGAAHN CC[C@@H](NCCOC)c1cccc(Br)c1 ZINC000037186375 173017669 /nfs/dbraw/zinc/01/76/69/173017669.db2.gz FCURROZSPMNQRI-GFCCVEGCSA-N 0 3 272.186 3.136 50 0 CGAAHN Brc1ccc(N2CCNCC2)c2ccccc12 ZINC000028341342 273473465 /nfs/dbraw/zinc/47/34/65/273473465.db2.gz BCQFDRDTLZIOGL-UHFFFAOYSA-N 0 3 291.192 3.012 50 0 CGAAHN O=c1oc2ccccc2n1CN1CCC[C@H]2CCCC[C@@H]21 ZINC000007142982 275044507 /nfs/dbraw/zinc/04/45/07/275044507.db2.gz CKVQWMDUDKOPKL-KGLIPLIRSA-N 0 3 286.375 3.207 50 0 CGAAHN COc1cccc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688766 277458281 /nfs/dbraw/zinc/45/82/81/277458281.db2.gz LACQLKYZMSEMTM-QGZVFWFLSA-N 0 3 278.355 3.412 50 0 biogenic CGAAHN Cc1ccnc(CNC2CCN(c3ccccc3C)CC2)c1 ZINC000534662186 328350084 /nfs/dbraw/zinc/35/00/84/328350084.db2.gz YHLZRGAISNTBCK-UHFFFAOYSA-N 0 3 295.430 3.457 50 0 CGAAHN Cc1cc(C)c(C)c(OCCOCCN2CCCCC2)c1 ZINC000002896646 518186666 /nfs/dbraw/zinc/18/66/66/518186666.db2.gz JJYGXPUULDSUBO-UHFFFAOYSA-N 0 3 291.435 3.493 50 0 CGAAHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC000125873301 521138865 /nfs/dbraw/zinc/13/88/65/521138865.db2.gz YSEJYDXQPIVVOE-NWDGAFQWSA-N 0 3 280.799 3.002 50 0 CGAAHN CC(C)=CCN1CCC(NC(=O)CC2CCCC2)CC1 ZINC000170953199 527430931 /nfs/dbraw/zinc/43/09/31/527430931.db2.gz QBEXKIBCVQWUKD-UHFFFAOYSA-N 0 3 278.440 3.114 50 0 CGAAHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cccn1CCC(C)C ZINC000170601617 527741986 /nfs/dbraw/zinc/74/19/86/527741986.db2.gz LDHXRXKGOUSNLR-GJZGRUSLSA-N 0 3 294.439 3.212 50 0 CGAAHN COc1cc(OC)cc([C@@H]2CCN(Cc3ccccn3)C2)c1 ZINC000083403178 570332466 /nfs/dbraw/zinc/33/24/66/570332466.db2.gz LONXQOBQHHLNMJ-CQSZACIVSA-N 0 3 298.386 3.088 50 0 CGAAHN Cc1ccc(NCCCNCc2ccc(Cl)o2)nc1 ZINC000952975940 636776091 /nfs/dbraw/zinc/77/60/91/636776091.db2.gz ZVAWSQGADOJJIH-UHFFFAOYSA-N 0 3 279.771 3.228 50 0 CGAAHN C[C@@H]1CCCCN1CCNC(=O)c1coc2ccccc12 ZINC000113148876 638217459 /nfs/dbraw/zinc/21/74/59/638217459.db2.gz SFTATAGLDJOPKS-CYBMUJFWSA-N 0 3 286.375 3.037 50 0 CGAAHN CSC[C@H](CCO)N[C@H](C)c1ccc(Cl)cc1 ZINC000096478199 230380036 /nfs/dbraw/zinc/38/00/36/230380036.db2.gz VSDRMNIVGJBVCO-MFKMUULPSA-N 0 3 273.829 3.105 50 0 CGAAHN CSC[C@@H](CCO)N[C@H](C)c1cc2ccccc2o1 ZINC000096478212 230380094 /nfs/dbraw/zinc/38/00/94/230380094.db2.gz VZVPIPPCENKFEO-DGCLKSJQSA-N 0 3 279.405 3.197 50 0 CGAAHN CN(CCOc1cccc(Cl)c1)CCc1cccnc1 ZINC000095959704 185043404 /nfs/dbraw/zinc/04/34/04/185043404.db2.gz DWPARIIRZKYVNS-UHFFFAOYSA-N 0 3 290.794 3.288 50 0 CGAAHN COc1ccc([C@@H](C)N[C@@H](C)CSC)c(OC)c1 ZINC000095968192 185046174 /nfs/dbraw/zinc/04/61/74/185046174.db2.gz STDBGURJCRFXRA-WDEREUQCSA-N 0 3 269.410 3.106 50 0 CGAAHN CC(C)c1ncc(CN[C@@H]2CCCc3cn[nH]c32)s1 ZINC000095967403 185046278 /nfs/dbraw/zinc/04/62/78/185046278.db2.gz JVRHINAYCFBSSP-GFCCVEGCSA-N 0 3 276.409 3.157 50 0 CGAAHN CCc1ccc([C@@H](NCC(=O)NC(C)C)C(C)C)cc1 ZINC000096955928 185140357 /nfs/dbraw/zinc/14/03/57/185140357.db2.gz IKQWBEUZISCIEP-KRWDZBQOSA-N 0 3 276.424 3.060 50 0 CGAAHN CS[C@H]1CCC[C@H]1N(C)Cc1cccc(NC(C)=O)c1 ZINC000076146824 345535399 /nfs/dbraw/zinc/53/53/99/345535399.db2.gz UWIPTTVWJDUJIV-CVEARBPZSA-N 0 3 292.448 3.361 50 0 CGAAHN CS[C@H]1CCC[C@@H]1N(C)Cc1cccc(NC(C)=O)c1 ZINC000076146826 345535769 /nfs/dbraw/zinc/53/57/69/345535769.db2.gz UWIPTTVWJDUJIV-HOTGVXAUSA-N 0 3 292.448 3.361 50 0 CGAAHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@H](CC)C1 ZINC000095423706 345900396 /nfs/dbraw/zinc/90/03/96/345900396.db2.gz SYMRUWXBFXIQDV-MJBXVCDLSA-N 0 3 276.428 3.234 50 0 CGAAHN C[C@@H](NCCC1OCCO1)c1cc2cc(Cl)ccc2o1 ZINC000126921123 346028382 /nfs/dbraw/zinc/02/83/82/346028382.db2.gz FDJSGMYYFABTPR-SNVBAGLBSA-N 0 3 295.766 3.500 50 0 CGAAHN CC[C@H](NC[C@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000170080307 346193721 /nfs/dbraw/zinc/19/37/21/346193721.db2.gz YSAJLKRVWAIHRD-BMKPQVEQSA-N 0 3 291.819 3.287 50 0 CGAAHN CCc1ncc(CN(C)[C@H](C)Cc2ccccc2OC)cn1 ZINC000230543850 346321590 /nfs/dbraw/zinc/32/15/90/346321590.db2.gz KKRGAMUGHUIJLE-CQSZACIVSA-N 0 3 299.418 3.111 50 0 CGAAHN Cc1nccn1C[C@H]1CCCN1Cc1c(F)cccc1F ZINC000180132692 189238412 /nfs/dbraw/zinc/23/84/12/189238412.db2.gz CJEPKQFJIUNRJP-CYBMUJFWSA-N 0 3 291.345 3.134 50 0 CGAAHN Fc1ccc([C@@H]2CCN(CCn3cc(Cl)cn3)C2)cc1 ZINC000459337441 242079360 /nfs/dbraw/zinc/07/93/60/242079360.db2.gz DTSPIUSBVRTVTJ-CYBMUJFWSA-N 0 3 293.773 3.165 50 0 CGAAHN O[C@@H]1CCCN(Cc2ccc(-c3ccccc3)cc2)C1 ZINC000000200997 368313703 /nfs/dbraw/zinc/31/37/03/368313703.db2.gz HUIWTFGNMYHERI-GOSISDBHSA-N 0 3 267.372 3.310 50 0 CGAAHN CSc1ccc(CN2CCCC[C@@H]2CCO)cc1 ZINC000000210806 368316662 /nfs/dbraw/zinc/31/66/62/368316662.db2.gz NKCAJGNHLGGVSH-CQSZACIVSA-N 0 3 265.422 3.145 50 0 CGAAHN CN(C)CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000000242939 368323351 /nfs/dbraw/zinc/32/33/51/368323351.db2.gz LHERWDZHGZFVEV-UHFFFAOYSA-N 0 3 253.345 3.488 50 0 CGAAHN C/C=C(\C)CN1CCN(c2cccc(C)c2C)CC1 ZINC000000278835 368332408 /nfs/dbraw/zinc/33/24/08/368332408.db2.gz OFBBRCRBNFPJPS-LHHJGKSTSA-N 0 3 258.409 3.392 50 0 CGAAHN [O-]c1cc2c(cc1Cl)CC[NH2+]C[C@@H]2c1ccccc1 ZINC000002539831 368461678 /nfs/dbraw/zinc/46/16/78/368461678.db2.gz ZVKJSJAERRMBMR-CQSZACIVSA-N 0 3 273.763 3.323 50 0 in-vivo CGAAHN CCN1CCC(NC(=O)Nc2cccc(SC)c2)CC1 ZINC000013320026 368649441 /nfs/dbraw/zinc/64/94/41/368649441.db2.gz MRMCVQMDWSZSPQ-UHFFFAOYSA-N 0 3 293.436 3.014 50 0 CGAAHN Cc1cc(C(=O)NCCN(C)C)sc1-c1ccccc1 ZINC000013328040 368650586 /nfs/dbraw/zinc/65/05/86/368650586.db2.gz IXAXRBBYMHQUBZ-UHFFFAOYSA-N 0 3 288.416 3.015 50 0 CGAAHN CCOc1ccccc1OC/C=C/CN1CCCC1 ZINC000016622560 368718049 /nfs/dbraw/zinc/71/80/49/368718049.db2.gz GBTYVCYPBGOPBF-BQYQJAHWSA-N 0 3 261.365 3.116 50 0 CGAAHN Nc1ccc(OCCN2CCCCC2)c(C(F)(F)F)c1 ZINC000014630194 368682410 /nfs/dbraw/zinc/68/24/10/368682410.db2.gz VRGYZPGHCXHOJS-UHFFFAOYSA-N 0 3 288.313 3.152 50 0 CGAAHN CN(CCc1ccccn1)Cc1ccc(Cl)cc1 ZINC000019607172 368758763 /nfs/dbraw/zinc/75/87/63/368758763.db2.gz SQHWKRORNZPNBZ-UHFFFAOYSA-N 0 3 260.768 3.410 50 0 CGAAHN Cc1ccc(C)c(CN(C)C[C@H](O)c2ccccc2)c1 ZINC000023279887 368818138 /nfs/dbraw/zinc/81/81/38/368818138.db2.gz OIVQWFBXVFYLNU-SFHVURJKSA-N 0 3 269.388 3.469 50 0 CGAAHN OC[C@H]1CCCN1Cc1cccc(Oc2ccccc2)c1 ZINC000023280778 368820796 /nfs/dbraw/zinc/82/07/96/368820796.db2.gz SJTMOGBUXNZXMN-MRXNPFEDSA-N 0 3 283.371 3.436 50 0 CGAAHN CC[C@@H](C)N1CCN(CCCc2ccccc2)CC1 ZINC000019900094 368777751 /nfs/dbraw/zinc/77/77/51/368777751.db2.gz JWTOMJUFGNDBMM-MRXNPFEDSA-N 0 3 260.425 3.035 50 0 CGAAHN CN1CCC[C@H](CSc2cccc(Cl)n2)C1 ZINC000034523259 368975593 /nfs/dbraw/zinc/97/55/93/368975593.db2.gz FURBUUJUFWMMOW-JTQLQIEISA-N 0 3 256.802 3.169 50 0 CGAAHN Cn1cccc1[C@H]1CCCN1CCC(=O)Nc1ccccc1 ZINC000032870843 368948756 /nfs/dbraw/zinc/94/87/56/368948756.db2.gz UVFBKWFTSDDCJL-QGZVFWFLSA-N 0 3 297.402 3.191 50 0 CGAAHN COCCCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000052075921 369462404 /nfs/dbraw/zinc/46/24/04/369462404.db2.gz WRYATWVEKZVOLA-UHFFFAOYSA-N 0 3 253.773 3.341 50 0 CGAAHN Cc1occc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000054225289 369498828 /nfs/dbraw/zinc/49/88/28/369498828.db2.gz SUTLJBBMLDWEOI-BBRMVZONSA-N 0 3 298.386 3.153 50 0 CGAAHN CC[C@@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058299334 369563853 /nfs/dbraw/zinc/56/38/53/369563853.db2.gz WTVDRYUFLSNQMS-KGLIPLIRSA-N 0 3 294.464 3.122 50 0 CGAAHN CC[C@@H]1CCCCN1Cc1cccc2c1OCCO2 ZINC000060100363 369584877 /nfs/dbraw/zinc/58/48/77/369584877.db2.gz SEWDXKOSHKJYDO-CQSZACIVSA-N 0 3 261.365 3.222 50 0 CGAAHN C/C=C(\C)CN1CC[C@@H](c2sccc2C)[C@H](O)C1 ZINC000065409438 369674011 /nfs/dbraw/zinc/67/40/11/369674011.db2.gz ALHSKZGKHRXJOO-BAXJGOPVSA-N 0 3 265.422 3.173 50 0 CGAAHN COc1ccccc1[C@@H](C)N(C)CCc1ccncc1 ZINC000065622676 369684849 /nfs/dbraw/zinc/68/48/49/369684849.db2.gz WQLBVPAXKKZXPD-CQSZACIVSA-N 0 3 270.376 3.326 50 0 CGAAHN CN1[C@@H]2CC[C@H]1CCN(Cc1cc(-c3ccccc3)no1)C2 ZINC000074995955 369894550 /nfs/dbraw/zinc/89/45/50/369894550.db2.gz MEMPNMCNMZDFJT-JKSUJKDBSA-N 0 3 297.402 3.010 50 0 CGAAHN Cc1cccc(C)c1CN[C@@H](CO)c1ccccc1 ZINC000083411130 370003837 /nfs/dbraw/zinc/00/38/37/370003837.db2.gz XYAQEINDNVIGOM-KRWDZBQOSA-N 0 3 255.361 3.127 50 0 CGAAHN Fc1cccc(Cl)c1CCNCc1cccnc1 ZINC000089768046 370046035 /nfs/dbraw/zinc/04/60/35/370046035.db2.gz MBRARIAMOGFVKU-UHFFFAOYSA-N 0 3 264.731 3.206 50 0 CGAAHN CN(C)CCN(Cc1cccs1)C(=O)c1ccsc1 ZINC000084251222 370012596 /nfs/dbraw/zinc/01/25/96/370012596.db2.gz QBBADVKSAGBRCY-UHFFFAOYSA-N 0 3 294.445 3.014 50 0 CGAAHN COc1ccccc1/C=C/CN1CCC(c2cc[nH]n2)CC1 ZINC000092810854 370103976 /nfs/dbraw/zinc/10/39/76/370103976.db2.gz YLFCSJFONPMMKA-GQCTYLIASA-N 0 3 297.402 3.311 50 0 CGAAHN C[C@]1(CO)CCCN(Cc2cc3ccccc3s2)C1 ZINC000093340624 370118122 /nfs/dbraw/zinc/11/81/22/370118122.db2.gz PJBWSQNRVSLZBP-INIZCTEOSA-N 0 3 275.417 3.496 50 0 CGAAHN CNc1cc(C)nc(-c2ccc([C@@H](C)N(C)C)cc2)n1 ZINC000097243658 370236956 /nfs/dbraw/zinc/23/69/56/370236956.db2.gz QTHDJNYGVKWAKB-GFCCVEGCSA-N 0 3 270.380 3.116 50 0 CGAAHN CC(C)OC[C@H](O)CN(C)Cc1csc2ccccc12 ZINC000097325272 370237897 /nfs/dbraw/zinc/23/78/97/370237897.db2.gz CGTVJLVGWFIHFV-CQSZACIVSA-N 0 3 293.432 3.119 50 0 CGAAHN C(=C/c1ccccc1)\CN1CCC[C@@H](c2ccncn2)C1 ZINC000097636466 370250367 /nfs/dbraw/zinc/25/03/67/370250367.db2.gz GQTNZFQKLGKPSA-IOMDMTNGSA-N 0 3 279.387 3.369 50 0 CGAAHN C[C@@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1ccco1 ZINC000095423603 370190189 /nfs/dbraw/zinc/19/01/89/370190189.db2.gz LRAGPLOFCFKBFW-NEPJUHHUSA-N 0 3 270.332 3.056 50 0 CGAAHN CCOC[C@H](C)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422676 370190222 /nfs/dbraw/zinc/19/02/22/370190222.db2.gz KGBUUJDQPSLBLY-ZANVPECISA-N 0 3 292.206 3.041 50 0 CGAAHN c1ccc([C@@H](C[C@@H]2CCOC2)NCc2ccccn2)cc1 ZINC000095435734 370192227 /nfs/dbraw/zinc/19/22/27/370192227.db2.gz YLXBSSPLEVCBSU-MAUKXSAKSA-N 0 3 282.387 3.339 50 0 CGAAHN Cc1cc(CN2CCN(c3ccccc3)CC2)c(C)cc1O ZINC000095996983 370203281 /nfs/dbraw/zinc/20/32/81/370203281.db2.gz LTNOGSMSAOHQHN-UHFFFAOYSA-N 0 3 296.414 3.331 50 0 CGAAHN Cc1ccncc1[C@H](C)NC[C@H]1COC2(CCCCC2)O1 ZINC000095988203 370203291 /nfs/dbraw/zinc/20/32/91/370203291.db2.gz XBOHKELHVGUCTL-GJZGRUSLSA-N 0 3 290.407 3.116 50 0 CGAAHN CC1(C)C[C@@H](NCc2ccncc2Cl)C(C)(C)O1 ZINC000132461685 371176388 /nfs/dbraw/zinc/17/63/88/371176388.db2.gz COOJKLQBOZYZSO-GFCCVEGCSA-N 0 3 268.788 3.171 50 0 CGAAHN CC[C@H](NCCc1ccnn1CC)c1ccc(F)cc1F ZINC000170616894 372643956 /nfs/dbraw/zinc/64/39/56/372643956.db2.gz IODUMXKUMQPJMU-INIZCTEOSA-N 0 3 293.361 3.465 50 0 CGAAHN C[C@H](NCC1(c2c(F)cccc2F)CC1)c1cnccn1 ZINC000090965247 541964917 /nfs/dbraw/zinc/96/49/17/541964917.db2.gz HUHVRTFPUSWDRL-NSHDSACASA-N 0 3 289.329 3.137 50 0 CGAAHN CCC(CC)N[C@@H](C)c1nnnn1C1CCCCC1 ZINC000241316695 376778897 /nfs/dbraw/zinc/77/88/97/376778897.db2.gz LUBOZUIOPSVKRT-NSHDSACASA-N 0 3 265.405 3.018 50 0 CGAAHN CCN1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000242047943 376780514 /nfs/dbraw/zinc/78/05/14/376780514.db2.gz VRLICOZVESFNON-BZUAXINKSA-N 0 3 292.467 3.215 50 0 CGAAHN Clc1cccc(CN2CCN3CCCC[C@H]3C2)c1 ZINC000246251690 376997617 /nfs/dbraw/zinc/99/76/17/376997617.db2.gz WUFVXZRPDYWJSM-HNNXBMFYSA-N 0 3 264.800 3.010 50 0 CGAAHN CC[C@H](N)C(=O)N([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000253433046 377693333 /nfs/dbraw/zinc/69/33/33/377693333.db2.gz RCDALRUBAOKBQU-HZMBPMFUSA-N 0 3 280.799 3.129 50 0 CGAAHN O=C(c1ccccc1Cl)N1CCCN(C2CCC2)CC1 ZINC000374285379 379409211 /nfs/dbraw/zinc/40/92/11/379409211.db2.gz SWEXFTYEAMLBOE-UHFFFAOYSA-N 0 3 292.810 3.040 50 0 CGAAHN CCOC(=O)c1[nH]c2ccccc2c1CN(CC)CC ZINC000000339486 169610963 /nfs/dbraw/zinc/61/09/63/169610963.db2.gz KZYIPFFTBMSUIP-UHFFFAOYSA-N 0 3 274.364 3.186 50 0 CGAAHN Oc1ccc([C@@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000019376168 285385438 /nfs/dbraw/zinc/38/54/38/285385438.db2.gz QENZPDLDEMHHOC-INIZCTEOSA-N 0 3 264.328 3.109 50 0 biogenic,in-vitro CGAAHN CC(C)c1ccc(OC[C@H](O)CN2CCC(C)CC2)cc1 ZINC000000127547 391905293 /nfs/dbraw/zinc/90/52/93/391905293.db2.gz DVUSRTQNSVGNMY-QGZVFWFLSA-N 0 3 291.435 3.282 50 0 CGAAHN Fc1cccc2c1OCCC[C@@H]2N[C@H]1CCSC1 ZINC000096499652 392256582 /nfs/dbraw/zinc/25/65/82/392256582.db2.gz BFIXMAVNIGKKRQ-GWCFXTLKSA-N 0 3 267.369 3.135 50 0 CGAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C/C=C\c1ccccc1 ZINC000097312366 392261724 /nfs/dbraw/zinc/26/17/24/392261724.db2.gz WUXAOXWZYNPWBE-VYDDFXDLSA-N 0 3 298.430 3.175 50 0 CGAAHN CC(C)Oc1ccc([C@H]2CCC[C@H]2NCC(N)=O)cc1 ZINC000328588587 392675977 /nfs/dbraw/zinc/67/59/77/392675977.db2.gz JKDZYZIJBQNIIF-HUUCEWRRSA-N 0 3 276.380 3.235 50 0 CGAAHN CCS[C@H]1CCCC[C@H]1NCc1c(C)noc1C ZINC000190044003 392810642 /nfs/dbraw/zinc/81/06/42/392810642.db2.gz UNSVCDYBOCCCOE-KGLIPLIRSA-N 0 3 268.426 3.445 50 0 CGAAHN C[C@@H](N)C(=O)N1CCCCC[C@H]1c1ccc(Cl)cc1 ZINC000237445662 393036096 /nfs/dbraw/zinc/03/60/96/393036096.db2.gz PPAXEHUQKMYAGL-RISCZKNCSA-N 0 3 280.799 3.131 50 0 CGAAHN CC[C@@H]1CCN(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000670433912 543154110 /nfs/dbraw/zinc/15/41/10/543154110.db2.gz ZOPVDYUIKIVFLA-SNVBAGLBSA-N 0 3 258.287 3.332 50 0 CGAAHN c1sc(CN[C@H]2CCOC2)cc1COc1ccccc1 ZINC000670472666 543157369 /nfs/dbraw/zinc/15/73/69/543157369.db2.gz LLAGLBJPOYJIAD-AWEZNQCLSA-N 0 3 289.400 3.206 50 0 CGAAHN C[C@@H](c1cccnc1)N(C)CCc1ccc2c(c1)CCO2 ZINC000093235482 287115233 /nfs/dbraw/zinc/11/52/33/287115233.db2.gz HSJSFVBBVQMMHC-AWEZNQCLSA-N 0 3 282.387 3.252 50 0 CGAAHN CC[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1 ZINC000004988349 170049588 /nfs/dbraw/zinc/04/95/88/170049588.db2.gz WCAJFGFVCQLWJF-AWEZNQCLSA-N 0 3 263.381 3.468 50 0 CGAAHN Cc1ccc2nc(-c3ccccc3)c(CN(C)C)n2c1 ZINC000005265022 170081323 /nfs/dbraw/zinc/08/13/23/170081323.db2.gz SZVGDBQDTZYEAM-UHFFFAOYSA-N 0 3 265.360 3.371 50 0 CGAAHN Cc1ccc(CNCCc2c[nH]c3ccccc23)o1 ZINC000009910027 170389848 /nfs/dbraw/zinc/38/98/48/170389848.db2.gz HEQREUROZPMJBN-UHFFFAOYSA-N 0 3 254.333 3.402 50 0 CGAAHN Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC1CCC1 ZINC000012706644 170504866 /nfs/dbraw/zinc/50/48/66/170504866.db2.gz FGYYILWSQWFIAB-LLVKDONJSA-N 0 3 268.364 3.050 50 0 CGAAHN Cc1cccc(NC(=O)Nc2cccc3c2CCNC3)c1 ZINC000037372854 173162867 /nfs/dbraw/zinc/16/28/67/173162867.db2.gz WXFORYBYXLAHIH-UHFFFAOYSA-N 0 3 281.359 3.285 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000040615105 174353726 /nfs/dbraw/zinc/35/37/26/174353726.db2.gz GPEZGOGCIQZWGM-INIZCTEOSA-N 0 3 276.424 3.232 50 0 CGAAHN CN1CCC[C@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000071375719 176140147 /nfs/dbraw/zinc/14/01/47/176140147.db2.gz HLZWJDHGAIUOEQ-VIFPVBQESA-N 0 3 287.190 3.274 50 0 CGAAHN CN1CCC(C(=O)Nc2ccc3ccccc3c2)CC1 ZINC000071384702 176147249 /nfs/dbraw/zinc/14/72/49/176147249.db2.gz AZNFTMVLRYUJCP-UHFFFAOYSA-N 0 3 268.360 3.120 50 0 CGAAHN CC(C)c1nccn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000071499063 176192118 /nfs/dbraw/zinc/19/21/18/176192118.db2.gz IARUBDLNVSGERK-INIZCTEOSA-N 0 3 269.392 3.454 50 0 CGAAHN Cc1nc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)cc(=O)[n-]1 ZINC000072162427 176330186 /nfs/dbraw/zinc/33/01/86/176330186.db2.gz PHCOWWWDDJBPFV-AWEZNQCLSA-N 0 3 287.407 3.026 50 0 CGAAHN c1ccc(CCN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 ZINC000072299969 176364643 /nfs/dbraw/zinc/36/46/43/176364643.db2.gz FYYYPNHUVQOVSP-INIZCTEOSA-N 0 3 297.402 3.369 50 0 CGAAHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000077303819 177250407 /nfs/dbraw/zinc/25/04/07/177250407.db2.gz FMVJXBOFGPOWEK-KRWDZBQOSA-N 0 3 281.403 3.040 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@H](C)c3ccncc3)C2)n[nH]1 ZINC000685939592 544109888 /nfs/dbraw/zinc/10/98/88/544109888.db2.gz UHYRDCILNLILQG-UKRRQHHQSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@H](C)c3ccncc3)C2)[nH]n1 ZINC000685939592 544109890 /nfs/dbraw/zinc/10/98/90/544109890.db2.gz UHYRDCILNLILQG-UKRRQHHQSA-N 0 3 270.380 3.054 50 0 CGAAHN Clc1cccc(Cl)c1CSC1=NCCN1 ZINC000001994445 274883909 /nfs/dbraw/zinc/88/39/09/274883909.db2.gz ULPIQKYUUXNMKF-UHFFFAOYSA-N 0 3 261.177 3.186 50 0 CGAAHN Brc1ccc2c(c1)CN1CCCC1=N2 ZINC000000518390 276767866 /nfs/dbraw/zinc/76/78/66/276767866.db2.gz IXRIYMMZXPUXNJ-UHFFFAOYSA-N 0 3 251.127 3.089 50 0 biogenic CGAAHN COc1cc2c(cc1OC)CN([C@H]1CC[C@@H](C)C1)CC2 ZINC000005722080 277394324 /nfs/dbraw/zinc/39/43/24/277394324.db2.gz QEQPVXMSEFTRIW-DOMZBBRYSA-N 0 3 275.392 3.251 50 0 CGAAHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000095421177 278302156 /nfs/dbraw/zinc/30/21/56/278302156.db2.gz KBJTZDYXEUUTAZ-QWRGUYRKSA-N 0 3 298.312 3.036 50 0 CGAAHN CCCC(=O)NC[C@H](c1cccs1)N1CCCCC1 ZINC000027580691 278659490 /nfs/dbraw/zinc/65/94/90/278659490.db2.gz CQXYEGRMFLLECP-CYBMUJFWSA-N 0 3 280.437 3.191 50 0 CGAAHN CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc(OC)c1 ZINC000036098285 280201309 /nfs/dbraw/zinc/20/13/09/280201309.db2.gz YQPIAKQPMGGKIU-GOSISDBHSA-N 0 3 299.414 3.468 50 0 CGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C1CCCC1 ZINC000043604329 281128285 /nfs/dbraw/zinc/12/82/85/281128285.db2.gz PLXBGSAVISPBTP-SJLPKXTDSA-N 0 3 298.430 3.320 50 0 CGAAHN Cc1cccc2c1OCC[C@@H]2N[C@H](C)[C@@]1(C)CCCO1 ZINC000252493628 281285552 /nfs/dbraw/zinc/28/55/52/281285552.db2.gz NEURMEGUEHENPW-UKPHBRMFSA-N 0 3 275.392 3.366 50 0 CGAAHN CN1C[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000248149908 334295988 /nfs/dbraw/zinc/29/59/88/334295988.db2.gz SYPUBBORRYKBCW-IRXDYDNUSA-N 0 3 265.356 3.215 50 0 CGAAHN CCN(CC)CCN[C@H](C)c1ccc(Br)o1 ZINC000131613101 528138176 /nfs/dbraw/zinc/13/81/76/528138176.db2.gz ZRVFHTNSPFINGB-SNVBAGLBSA-N 0 3 289.217 3.035 50 0 CGAAHN Cc1cc(C)n(CC2CCN([C@H](C)c3cccnc3)CC2)n1 ZINC000084104609 570334886 /nfs/dbraw/zinc/33/48/86/570334886.db2.gz NDBYZZSSVMMSMR-MRXNPFEDSA-N 0 3 298.434 3.368 50 0 CGAAHN Cc1ncsc1CN[C@H](C)/C=C/c1ccccn1 ZINC000888098183 619260181 /nfs/dbraw/zinc/26/01/81/619260181.db2.gz CLZYTUVDQNIGJG-XUIVZRPNSA-N 0 3 259.378 3.038 50 0 CGAAHN Cc1ccc([C@H](C)NC(=O)CN2CCCCCC2)c(C)c1 ZINC000952974738 636775984 /nfs/dbraw/zinc/77/59/84/636775984.db2.gz BZJWYIGSPQCARB-INIZCTEOSA-N 0 3 288.435 3.357 50 0 CGAAHN Cc1cnc(CCN[C@H](C)c2ccc3c(c2)OCO3)s1 ZINC000096478455 230379983 /nfs/dbraw/zinc/37/99/83/230379983.db2.gz OJCOCVAIHRFMEH-LLVKDONJSA-N 0 3 290.388 3.074 50 0 CGAAHN CSCCCN1CCc2nc(-c3ccccc3)[nH]c2C1 ZINC000095509004 185000756 /nfs/dbraw/zinc/00/07/56/185000756.db2.gz HMLNDPBPYWAROF-UHFFFAOYSA-N 0 3 287.432 3.188 50 0 CGAAHN Cc1ccc2ccccc2c1NC(=O)N1CC[C@@H](N(C)C)C1 ZINC000095518872 185002734 /nfs/dbraw/zinc/00/27/34/185002734.db2.gz AHNBOCAIKASENW-OAHLLOKOSA-N 0 3 297.402 3.316 50 0 CGAAHN CCN(C(=O)C[C@@H](N)c1ccccc1)c1ccc(F)cc1 ZINC000095956301 185042310 /nfs/dbraw/zinc/04/23/10/185042310.db2.gz KTYGVNYCGCHVMC-MRXNPFEDSA-N 0 3 286.350 3.269 50 0 CGAAHN COc1ccc([C@H](C)N[C@H](C)CSC)c(OC)c1 ZINC000095968191 185046885 /nfs/dbraw/zinc/04/68/85/185046885.db2.gz STDBGURJCRFXRA-MNOVXSKESA-N 0 3 269.410 3.106 50 0 CGAAHN CC(C)c1ncc(CN[C@H]2CCCc3cn[nH]c32)s1 ZINC000095967404 185046993 /nfs/dbraw/zinc/04/69/93/185046993.db2.gz JVRHINAYCFBSSP-LBPRGKRZSA-N 0 3 276.409 3.157 50 0 CGAAHN C[C@H]1OCC[C@H]1NCc1ccnc(SC(C)(C)C)c1 ZINC000095995901 185060018 /nfs/dbraw/zinc/06/00/18/185060018.db2.gz PTRKUSKIWZERIP-DGCLKSJQSA-N 0 3 280.437 3.239 50 0 CGAAHN Cc1nc(C)n(C[C@H]2CCCN2C/C=C/c2ccccc2)n1 ZINC000069491619 345381278 /nfs/dbraw/zinc/38/12/78/345381278.db2.gz PNJVWDDKLDQGLA-WGLAMXGCSA-N 0 3 296.418 3.073 50 0 CGAAHN Cc1occc1C(=O)Nc1cnccc1N1CCCCC1 ZINC000072281691 345408340 /nfs/dbraw/zinc/40/83/40/345408340.db2.gz MBERYIXRRUTREM-UHFFFAOYSA-N 0 3 285.347 3.226 50 0 CGAAHN CCn1ncc2c1CCC[C@H]2NCc1cccc(OC)c1 ZINC000072298449 345408625 /nfs/dbraw/zinc/40/86/25/345408625.db2.gz MBYAMKKKLUTHRM-MRXNPFEDSA-N 0 3 285.391 3.079 50 0 CGAAHN C[C@H](CCc1ccccc1)N[C@@H](C)c1nnc2n1CCCC2 ZINC000089895753 345776683 /nfs/dbraw/zinc/77/66/83/345776683.db2.gz OFJRYXXVFYPYQM-CABCVRRESA-N 0 3 298.434 3.286 50 0 CGAAHN CN(C)CCOC(=O)NC1(c2ccccc2)CCCCC1 ZINC000096026978 345902028 /nfs/dbraw/zinc/90/20/28/345902028.db2.gz MJTQGCVXSNQCKS-UHFFFAOYSA-N 0 3 290.407 3.134 50 0 CGAAHN OCCCCN1CCC(c2ccccc2Cl)CC1 ZINC000096026587 345902054 /nfs/dbraw/zinc/90/20/54/345902054.db2.gz XRUWUNRPTDAEED-UHFFFAOYSA-N 0 3 267.800 3.292 50 0 CGAAHN C[C@H](NCCC1OCCO1)c1cc2cc(Cl)ccc2o1 ZINC000126920899 346027951 /nfs/dbraw/zinc/02/79/51/346027951.db2.gz FDJSGMYYFABTPR-JTQLQIEISA-N 0 3 295.766 3.500 50 0 CGAAHN C[C@@]1(CO)CCCN1Cc1cccc(OC2CCCC2)c1 ZINC000170088999 346193374 /nfs/dbraw/zinc/19/33/74/346193374.db2.gz RUVHGKCFPYNAQS-SFHVURJKSA-N 0 3 289.419 3.355 50 0 CGAAHN C[C@H](CN(C)C1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000170603039 346195106 /nfs/dbraw/zinc/19/51/06/346195106.db2.gz XXXIFMWHXAEAGL-CMQUCMFRSA-N 0 3 299.867 3.286 50 0 CGAAHN C[C@H](C1CC1)N(Cc1ccccc1)Cc1cccc(N)n1 ZINC000170616825 346195703 /nfs/dbraw/zinc/19/57/03/346195703.db2.gz ZAVDLVJMMQUMEG-CQSZACIVSA-N 0 3 281.403 3.465 50 0 CGAAHN CN(CCO[C@@H]1CCCCO1)Cc1cccc2cc[nH]c21 ZINC000225532978 346304823 /nfs/dbraw/zinc/30/48/23/346304823.db2.gz MTSXNXYLUZTZPS-MRXNPFEDSA-N 0 3 288.391 3.143 50 0 CGAAHN Clc1ccccc1-c1nc2c(s1)CNCC2 ZINC000011568406 282536081 /nfs/dbraw/zinc/53/60/81/282536081.db2.gz PQNFPLYNISMMRP-UHFFFAOYSA-N 0 3 250.754 3.109 50 0 CGAAHN CS[C@@H](C)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090725478 180032691 /nfs/dbraw/zinc/03/26/91/180032691.db2.gz GWEGWPHTQHABPT-QWRGUYRKSA-N 0 3 266.410 3.047 50 0 CGAAHN CCOc1ccc(C2=CCN(CCC(C)=O)CC2)cc1 ZINC000091811039 180261897 /nfs/dbraw/zinc/26/18/97/180261897.db2.gz PYYMYGWCUZHOQV-UHFFFAOYSA-N 0 3 273.376 3.154 50 0 CGAAHN c1cncc(-c2noc(CN3CCC[C@H]4CCCC[C@H]43)n2)c1 ZINC000106547615 186126692 /nfs/dbraw/zinc/12/66/92/186126692.db2.gz KUIZPLFGTOOLPY-UKRRQHHQSA-N 0 3 298.390 3.286 50 0 CGAAHN CN(Cc1cccc(OC2CCCC2)c1)CC1(C)COC1 ZINC000628423424 350534686 /nfs/dbraw/zinc/53/46/86/350534686.db2.gz UBGSZIOIIFFQIQ-UHFFFAOYSA-N 0 3 289.419 3.476 50 0 CGAAHN C[C@H](NCCC(=O)NCc1ccccc1)c1ccsc1 ZINC000178254963 189101066 /nfs/dbraw/zinc/10/10/66/189101066.db2.gz SXNJJTXPHLSVQA-ZDUSSCGKSA-N 0 3 288.416 3.105 50 0 CGAAHN CC(=O)c1ccc(N2CCN([C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000000216040 368317148 /nfs/dbraw/zinc/31/71/48/368317148.db2.gz NTYODQYQJPKUBJ-RDTXWAMCSA-N 0 3 286.419 3.200 50 0 CGAAHN COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 ZINC000000220570 368318438 /nfs/dbraw/zinc/31/84/38/368318438.db2.gz SJINWKBTSYPSBC-STQMWFEESA-N 0 3 263.381 3.182 50 0 CGAAHN Cc1ccccc1NC(=O)CCN1CCc2ccccc2C1 ZINC000000256788 368326011 /nfs/dbraw/zinc/32/60/11/368326011.db2.gz CNBFEFLOBYVRIK-UHFFFAOYSA-N 0 3 294.398 3.382 50 0 CGAAHN C[C@H](CN1CCCCC1)OC(=O)c1ccccc1Cl ZINC000000549884 368386268 /nfs/dbraw/zinc/38/62/68/368386268.db2.gz GYPYGHLVRFWZAF-GFCCVEGCSA-N 0 3 281.783 3.371 50 0 CGAAHN FCCCOc1ccc(CN2CCCCC2)cc1 ZINC000004038061 368528876 /nfs/dbraw/zinc/52/88/76/368528876.db2.gz XSSSOFYIZNMDPH-UHFFFAOYSA-N 0 3 251.345 3.411 50 0 CGAAHN O=C(Nc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000003622397 368516573 /nfs/dbraw/zinc/51/65/73/368516573.db2.gz RKROQEVUVQKKGT-QGZVFWFLSA-N 0 3 295.386 3.083 50 0 CGAAHN CC(C)N(C)CCOC(=O)c1ccc(C(C)(C)C)cc1 ZINC000004680629 368556808 /nfs/dbraw/zinc/55/68/08/368556808.db2.gz ZZBGIYWYBWCKLA-UHFFFAOYSA-N 0 3 277.408 3.481 50 0 CGAAHN Fc1ccc(CN2c3ccccc3N3CCN=C23)cc1 ZINC000004262928 368538984 /nfs/dbraw/zinc/53/89/84/368538984.db2.gz ILBVCQYULNCSBS-UHFFFAOYSA-N 0 3 267.307 3.022 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000010384172 368581179 /nfs/dbraw/zinc/58/11/79/368581179.db2.gz XSNYLZBFIFXSNR-DOTOQJQBSA-N 0 3 285.387 3.086 50 0 CGAAHN C[C@@H](O)CNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000012383520 368610215 /nfs/dbraw/zinc/61/02/15/368610215.db2.gz UUEYHIHEEIWFDK-SNVBAGLBSA-N 0 3 299.292 3.436 50 0 CGAAHN CCCCc1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000016580701 368716304 /nfs/dbraw/zinc/71/63/04/368716304.db2.gz WDKXERNZAGFNQS-UHFFFAOYSA-N 0 3 288.435 3.245 50 0 CGAAHN Cc1cccc(CN2CCC(C(=O)NC(C)(C)C)CC2)c1 ZINC000016607169 368717542 /nfs/dbraw/zinc/71/75/42/368717542.db2.gz DPKYAUUUROVOSA-UHFFFAOYSA-N 0 3 288.435 3.122 50 0 CGAAHN Cc1cccc(C)c1OCCNCc1ccccc1 ZINC000019737830 368763351 /nfs/dbraw/zinc/76/33/51/368763351.db2.gz ZSLCEAIUVQVPSO-UHFFFAOYSA-N 0 3 255.361 3.472 50 0 CGAAHN Cc1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 ZINC000019789383 368765985 /nfs/dbraw/zinc/76/59/85/368765985.db2.gz WQCQTBZXCZECIR-SFHVURJKSA-N 0 3 284.447 3.469 50 0 CGAAHN C[C@@H](c1cccs1)N(C)Cc1ccc(C(N)=O)cc1 ZINC000053814074 369489783 /nfs/dbraw/zinc/48/97/83/369489783.db2.gz PXNJNWKOCHIKCO-NSHDSACASA-N 0 3 274.389 3.040 50 0 CGAAHN CCCN(CCCn1nc(C)cc1C)Cc1cccnc1 ZINC000055211554 369513589 /nfs/dbraw/zinc/51/35/89/369513589.db2.gz DKOODMQBKZMNMH-UHFFFAOYSA-N 0 3 286.423 3.197 50 0 CGAAHN C[C@@H](c1cccc(F)c1)N1CCC(c2ccnn2C)CC1 ZINC000058381203 369565752 /nfs/dbraw/zinc/56/57/52/369565752.db2.gz BADHAEQBCRYTOX-ZDUSSCGKSA-N 0 3 287.382 3.500 50 0 CGAAHN CC(C)CNC(=O)CN(Cc1ccccc1)CC1CCC1 ZINC000060041845 369584284 /nfs/dbraw/zinc/58/42/84/369584284.db2.gz GJTRMXHUDZTEDL-UHFFFAOYSA-N 0 3 288.435 3.061 50 0 CGAAHN CC(C)(C)C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000060159575 369584860 /nfs/dbraw/zinc/58/48/60/369584860.db2.gz ONHDMLGMFMQPEK-MRXNPFEDSA-N 0 3 288.435 3.061 50 0 CGAAHN C[C@@H](c1ccncc1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000065371110 369669580 /nfs/dbraw/zinc/66/95/80/369669580.db2.gz WFRCRBBSIJYFTC-HNNXBMFYSA-N 0 3 292.386 3.460 50 0 CGAAHN CCC[C@@H](C(=O)N(C)C1CCN(C)CC1)c1ccccc1 ZINC000068192714 369740747 /nfs/dbraw/zinc/74/07/47/369740747.db2.gz UDHAASDXCFMFLV-QGZVFWFLSA-N 0 3 288.435 3.123 50 0 CGAAHN CCN1CCCN(C(=O)c2cccc3ccccc32)CC1 ZINC000069656507 369766382 /nfs/dbraw/zinc/76/63/82/369766382.db2.gz YHJIXTIVAUWJEV-UHFFFAOYSA-N 0 3 282.387 3.008 50 0 CGAAHN C[C@H](Cn1cccn1)NCc1ccc2sccc2c1 ZINC000067723372 369725649 /nfs/dbraw/zinc/72/56/49/369725649.db2.gz CTJSHPURYULIAE-GFCCVEGCSA-N 0 3 271.389 3.276 50 0 CGAAHN CSC(C)(C)C[C@H](C)NCC(=O)Nc1ccccc1C ZINC000067755120 369727125 /nfs/dbraw/zinc/72/71/25/369727125.db2.gz WTBQCXVKFJCMAQ-ZDUSSCGKSA-N 0 3 294.464 3.443 50 0 CGAAHN CC[C@H](c1cccnc1)N(C)Cc1ccc2nonc2c1 ZINC000067741554 369727563 /nfs/dbraw/zinc/72/75/63/369727563.db2.gz ZKSUFQVTJRBUCO-MRXNPFEDSA-N 0 3 282.347 3.201 50 0 CGAAHN CCS[C@H]1CC[C@@H](N(C)Cc2ccncc2)C1 ZINC000076071626 369929284 /nfs/dbraw/zinc/92/92/84/369929284.db2.gz GIOBTQUXEFLFNA-KGLIPLIRSA-N 0 3 250.411 3.188 50 0 CGAAHN c1coc(CN2C[C@H]3CC[C@H](CN3Cc3ccccc3)C2)c1 ZINC000095376240 370180785 /nfs/dbraw/zinc/18/07/85/370180785.db2.gz RDQFKXWQIHGYDE-ZWKOTPCHSA-N 0 3 296.414 3.376 50 0 CGAAHN CN(CCOc1ccccc1Cl)CCc1ccncc1 ZINC000095401616 370182446 /nfs/dbraw/zinc/18/24/46/370182446.db2.gz SQLWAXVGFSQCTR-UHFFFAOYSA-N 0 3 290.794 3.288 50 0 CGAAHN CN(Cc1cccn1Cc1cccs1)C[C@@H]1CCOC1 ZINC000093839660 370163406 /nfs/dbraw/zinc/16/34/06/370163406.db2.gz VOBNCQDAARQFFN-AWEZNQCLSA-N 0 3 290.432 3.066 50 0 CGAAHN Cc1ccc(-c2ncc(CN3CCC[C@@]3(C)CO)s2)o1 ZINC000097105381 370226310 /nfs/dbraw/zinc/22/63/10/370226310.db2.gz XGUQMKOSIUZTGU-HNNXBMFYSA-N 0 3 292.404 3.058 50 0 CGAAHN CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCOC(C)(C)C1 ZINC000097413180 370242929 /nfs/dbraw/zinc/24/29/29/370242929.db2.gz VYOITGHCAHZBFK-CYBMUJFWSA-N 0 3 287.407 3.342 50 0 CGAAHN CNCc1cccc(NC(=O)CCc2ccsc2)c1 ZINC000095427846 370191576 /nfs/dbraw/zinc/19/15/76/370191576.db2.gz TVKSDVLDAXDHRF-UHFFFAOYSA-N 0 3 274.389 3.039 50 0 CGAAHN CC(C)[C@H]1CCC[C@H](NCc2nncn2C2CC2)CC1 ZINC000095434010 370192550 /nfs/dbraw/zinc/19/25/50/370192550.db2.gz YPKFWYZOYDRZBI-KBPBESRZSA-N 0 3 276.428 3.308 50 0 CGAAHN O=C(Nc1ccc(Cl)cc1)N1CCCN(C2CC2)CC1 ZINC000089788401 541954406 /nfs/dbraw/zinc/95/44/06/541954406.db2.gz LAIMQFKWUMJMQF-UHFFFAOYSA-N 0 3 293.798 3.042 50 0 CGAAHN Cc1cnc(CN[C@@H](C)Cc2ccccc2F)s1 ZINC000188081478 375153547 /nfs/dbraw/zinc/15/35/47/375153547.db2.gz FBSOXXAEUIUOSW-JTQLQIEISA-N 0 3 264.369 3.311 50 0 CGAAHN c1ncc(CN2CCC[C@H](c3nc4ccccc4s3)C2)[nH]1 ZINC000215315652 376146425 /nfs/dbraw/zinc/14/64/25/376146425.db2.gz QHODAWCCFGYLOO-LBPRGKRZSA-N 0 3 298.415 3.399 50 0 CGAAHN Cc1ccc(F)c(CN(C)C[C@H]2CCCCN2C)c1 ZINC000215417106 376148873 /nfs/dbraw/zinc/14/88/73/376148873.db2.gz BYQSJYORRSTDFL-OAHLLOKOSA-N 0 3 264.388 3.050 50 0 CGAAHN CN(C)c1ccc(CN2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC000215408150 376148936 /nfs/dbraw/zinc/14/89/36/376148936.db2.gz LNXSTAZHGVZVIQ-MRXNPFEDSA-N 0 3 299.393 3.276 50 0 CGAAHN CN(CCC1(O)CCCC1)Cc1ccc2ccn(C)c2c1 ZINC000216351764 376163526 /nfs/dbraw/zinc/16/35/26/376163526.db2.gz KUKJJGDGOVWKJT-UHFFFAOYSA-N 0 3 286.419 3.305 50 0 CGAAHN COCCNCc1ccc(-c2cccc(F)c2C)o1 ZINC000225392188 376306262 /nfs/dbraw/zinc/30/62/62/376306262.db2.gz UROPOVCWOJTVGG-UHFFFAOYSA-N 0 3 263.312 3.130 50 0 CGAAHN CC1(C)Cc2cc(CNCc3cccc(CO)c3)ccc2O1 ZINC000236763167 376689946 /nfs/dbraw/zinc/68/99/46/376689946.db2.gz GDZHZZFLUDEFKW-UHFFFAOYSA-N 0 3 297.398 3.182 50 0 CGAAHN Cc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)o1 ZINC000248705088 377385735 /nfs/dbraw/zinc/38/57/35/377385735.db2.gz HICNCZLMQPSFKT-CTHBEMJXSA-N 0 3 261.365 3.196 50 0 CGAAHN CCCN(CCO)Cc1csc2ccc(F)cc12 ZINC000252496334 377633118 /nfs/dbraw/zinc/63/31/18/377633118.db2.gz PGXBQYIZJBOTMB-UHFFFAOYSA-N 0 3 267.369 3.245 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@H](C)c3cccnc3)C2)n[nH]1 ZINC000257366272 542354434 /nfs/dbraw/zinc/35/44/34/542354434.db2.gz QDXQPMPUZOURIP-UKRRQHHQSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@H](C)c3cccnc3)C2)[nH]n1 ZINC000257366272 542354438 /nfs/dbraw/zinc/35/44/38/542354438.db2.gz QDXQPMPUZOURIP-UKRRQHHQSA-N 0 3 270.380 3.054 50 0 CGAAHN C[C@@H](NCc1ccncc1F)[C@H](c1ccccc1)N(C)C ZINC000449251954 533465011 /nfs/dbraw/zinc/46/50/11/533465011.db2.gz SWWDTVMCMMLUSP-CXAGYDPISA-N 0 3 287.382 3.002 50 0 CGAAHN Cc1cc(OC[C@H](O)CN2CCCCC2)cc(C)c1Cl ZINC000000445350 391910292 /nfs/dbraw/zinc/91/02/92/391910292.db2.gz VYVWSDHIUJUMEQ-CQSZACIVSA-N 0 3 297.826 3.182 50 0 CGAAHN Fc1cccc2c1OCCC[C@H]2N[C@@H]1CCSC1 ZINC000096499651 392256427 /nfs/dbraw/zinc/25/64/27/392256427.db2.gz BFIXMAVNIGKKRQ-ZWNOBZJWSA-N 0 3 267.369 3.135 50 0 CGAAHN Cc1noc(C)c1CN(C)CCc1nc2cccc(C)c2[nH]1 ZINC000670461650 543156169 /nfs/dbraw/zinc/15/61/69/543156169.db2.gz XYMROULAZXIFGN-UHFFFAOYSA-N 0 3 298.390 3.151 50 0 CGAAHN Cc1cccc([C@@H]2CCCN(Cc3cnc(N)s3)C2)c1 ZINC000670458608 543156461 /nfs/dbraw/zinc/15/64/61/543156461.db2.gz ABIQFBPXIYICHV-CQSZACIVSA-N 0 3 287.432 3.413 50 0 CGAAHN Cc1ccccc1Cn1ncnc1[C@H]1CCCN(C(C)C)C1 ZINC000670461587 543156710 /nfs/dbraw/zinc/15/67/10/543156710.db2.gz ULDYBBHIOHYUNM-KRWDZBQOSA-N 0 3 298.434 3.223 50 0 CGAAHN CCOc1ccc(CNCc2ccc3nccnc3c2)cc1 ZINC000021635845 171317732 /nfs/dbraw/zinc/31/77/32/171317732.db2.gz SERJUQQSMFMICG-UHFFFAOYSA-N 0 3 293.370 3.318 50 0 CGAAHN CCN(Cc1nnc(-c2ccc(OC)cc2)o1)CC(C)C ZINC000046064656 175391206 /nfs/dbraw/zinc/39/12/06/175391206.db2.gz CEEUGWBNUHLQOZ-UHFFFAOYSA-N 0 3 289.379 3.223 50 0 CGAAHN C[C@@H]1CCCCN1CCNC(=O)c1ccc(F)cc1Cl ZINC000046859264 175399717 /nfs/dbraw/zinc/39/97/17/175399717.db2.gz FTYXPZAGLYOPCT-LLVKDONJSA-N 0 3 298.789 3.083 50 0 CGAAHN CCN1CCC[C@H](c2nccn2CCOc2ccccc2)C1 ZINC000071749719 176259460 /nfs/dbraw/zinc/25/94/60/176259460.db2.gz NPXRJRVUCAQFQW-INIZCTEOSA-N 0 3 299.418 3.161 50 0 CGAAHN c1coc(CNCCc2coc(-c3ccccc3)n2)c1 ZINC000071857534 176279029 /nfs/dbraw/zinc/27/90/29/176279029.db2.gz DOZRLQRCRFHTMG-UHFFFAOYSA-N 0 3 268.316 3.267 50 0 CGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000071870366 176282796 /nfs/dbraw/zinc/28/27/96/176282796.db2.gz NOQBNFYRLHFTQI-GJZGRUSLSA-N 0 3 298.386 3.132 50 0 CGAAHN c1ccc2[nH]c([C@@H]3CCCN(Cc4ccncc4)C3)nc2c1 ZINC000077385420 177261538 /nfs/dbraw/zinc/26/15/38/177261538.db2.gz RFBPYWARBPCLBY-OAHLLOKOSA-N 0 3 292.386 3.338 50 0 CGAAHN COCCC[C@H]1CCCCN1Cc1cnn(C)c1C1CC1 ZINC000077428764 177265793 /nfs/dbraw/zinc/26/57/93/177265793.db2.gz XFSMSUSAIUKRLZ-MRXNPFEDSA-N 0 3 291.439 3.079 50 0 CGAAHN CCOc1ccc(CN[C@@H](C)c2c(C)nn(C)c2C)cc1 ZINC000078553261 177353237 /nfs/dbraw/zinc/35/32/37/177353237.db2.gz FYFJOSYTEZVPFL-LBPRGKRZSA-N 0 3 287.407 3.286 50 0 CGAAHN COc1ccc(-c2nc(CCNCc3ccco3)co2)cc1 ZINC000078552596 177353536 /nfs/dbraw/zinc/35/35/36/177353536.db2.gz NDNCCYHYBCIXOE-UHFFFAOYSA-N 0 3 298.342 3.276 50 0 CGAAHN Cc1noc(C)c1CNC1CCN(c2ccccc2)CC1 ZINC000219429011 416521106 /nfs/dbraw/zinc/52/11/06/416521106.db2.gz CSDXFAMBYMNGSY-UHFFFAOYSA-N 0 3 285.391 3.050 50 0 CGAAHN Cc1c[nH]c(CNC[C@]2(c3ccccc3)CC2(C)C)n1 ZINC000663366522 419580193 /nfs/dbraw/zinc/58/01/93/419580193.db2.gz IRHGJHKXOVQMEB-KRWDZBQOSA-N 0 3 269.392 3.176 50 0 CGAAHN Brc1ccc2c(c1)CNCC21CCCC1 ZINC000091368567 275371591 /nfs/dbraw/zinc/37/15/91/275371591.db2.gz UZRYCUDBNMOKMT-UHFFFAOYSA-N 0 3 266.182 3.364 50 0 CGAAHN C[C@@H](CN1CCCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000375597 274217935 /nfs/dbraw/zinc/21/79/35/274217935.db2.gz KFNAROPLJSUYSK-LBPRGKRZSA-N 0 3 281.783 3.371 50 0 CGAAHN C[C@@H]1CN(C2CCN(C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099443 274344509 /nfs/dbraw/zinc/34/45/09/274344509.db2.gz LGMIHWZHLJSBDB-GFCCVEGCSA-N 0 3 294.826 3.017 50 0 CGAAHN Clc1cc(Cl)c(OC2CNC2)c2ccccc12 ZINC000042769547 274880186 /nfs/dbraw/zinc/88/01/86/274880186.db2.gz XQNRTHFJSDEPHR-UHFFFAOYSA-N 0 3 268.143 3.497 50 0 CGAAHN CC(C)(C)[S@](=O)CCN[C@H]1CCCc2sccc21 ZINC000095968122 275534200 /nfs/dbraw/zinc/53/42/00/275534200.db2.gz UHISFXISRDLQGB-SGTLLEGYSA-N 0 3 285.478 3.262 50 0 CGAAHN CC(C)(C)c1cc(Br)ccc1OC1CNC1 ZINC000042769567 275534383 /nfs/dbraw/zinc/53/43/83/275534383.db2.gz ZHIPZUXHUQQZNP-UHFFFAOYSA-N 0 3 284.197 3.097 50 0 CGAAHN C[C@H](CN1CCN(C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000225719534 279313528 /nfs/dbraw/zinc/31/35/28/279313528.db2.gz ROLNLIWWMRHTLN-GFCCVEGCSA-N 0 3 286.341 3.056 50 0 CGAAHN C[C@@H]1CN2CCCC[C@H]2CN1Cc1cccc(Cl)c1 ZINC000252518075 288298816 /nfs/dbraw/zinc/29/88/16/288298816.db2.gz ZHRJSLVJPPCYLS-CJNGLKHVSA-N 0 3 278.827 3.399 50 0 CGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)C1CCCC1 ZINC000006721911 281127477 /nfs/dbraw/zinc/12/74/77/281127477.db2.gz PLXBGSAVISPBTP-AEFFLSMTSA-N 0 3 298.430 3.320 50 0 CGAAHN CCCc1nc(C)c(CN[C@H]2CCCSC2)s1 ZINC000534644798 328330349 /nfs/dbraw/zinc/33/03/49/328330349.db2.gz MGVDPCSVGJKOEW-NSHDSACASA-N 0 3 270.467 3.389 50 0 CGAAHN Fc1ccc(F)c(C2(N[C@@H]3CCCSC3)CC2)c1 ZINC000534662738 328350690 /nfs/dbraw/zinc/35/06/90/328350690.db2.gz PPWKQLFPAAWRAL-LLVKDONJSA-N 0 3 269.360 3.439 50 0 CGAAHN CCOc1ccc(NC(=O)CN(C)C2CCCCC2)cc1 ZINC000007786615 528505197 /nfs/dbraw/zinc/50/51/97/528505197.db2.gz PVEZJAPFMHELMO-UHFFFAOYSA-N 0 3 290.407 3.288 50 0 CGAAHN Cc1cccc2c(N3CCO[C@@H](C(F)F)C3)ccnc12 ZINC000193586502 623996466 /nfs/dbraw/zinc/99/64/66/623996466.db2.gz MDECQLCQPIAGRG-CYBMUJFWSA-N 0 3 278.302 3.014 50 0 CGAAHN CCC(C)(C)NC(=O)N(CCN(C)C)Cc1ccsc1 ZINC000426621734 799606561 /nfs/dbraw/zinc/60/65/61/799606561.db2.gz NUWPDRFRYQFZJB-UHFFFAOYSA-N 0 3 297.468 3.010 50 0 CGAAHN CC[C@H](C(=O)NCCc1cccc2ccccc21)N(C)CC ZINC000822555133 800461725 /nfs/dbraw/zinc/46/17/25/800461725.db2.gz XDBIQYUDDUJIMA-GOSISDBHSA-N 0 3 298.430 3.229 50 0 CGAAHN Cc1cnc(CN2CCC[C@H](c3ccccc3C)C2)cn1 ZINC001506395922 937989440 /nfs/dbraw/zinc/98/94/40/937989440.db2.gz BMJORTGZLLSTMV-INIZCTEOSA-N 0 3 281.403 3.473 50 0 CGAAHN COc1ccc(CN2CCC[C@@H]2CCCO)c(Cl)c1 ZINC000096455486 230376949 /nfs/dbraw/zinc/37/69/49/230376949.db2.gz UYVSXGWUDJWUJX-CYBMUJFWSA-N 0 3 283.799 3.086 50 0 CGAAHN CSC[C@H](CCO)N[C@H](C)c1cc2ccccc2o1 ZINC000096478207 230380102 /nfs/dbraw/zinc/38/01/02/230380102.db2.gz VZVPIPPCENKFEO-YPMHNXCESA-N 0 3 279.405 3.197 50 0 CGAAHN COc1cc(-c2ccccc2)ccc1CN1CC[C@@H](CO)C1 ZINC000096004847 185062962 /nfs/dbraw/zinc/06/29/62/185062962.db2.gz ZHBUKCLQHNYEKC-OAHLLOKOSA-N 0 3 297.398 3.176 50 0 CGAAHN Cc1cc(-c2cccc([C@H](C)N(C)C)c2)c(=O)[nH]c1C ZINC000096149131 185107440 /nfs/dbraw/zinc/10/74/40/185107440.db2.gz GMOPQJBXOMJHDE-ZDUSSCGKSA-N 0 3 270.376 3.281 50 0 CGAAHN O=C(NC[C@H](c1cccs1)N1CCCC1)C1CCCC1 ZINC000032721273 295679311 /nfs/dbraw/zinc/67/93/11/295679311.db2.gz VDVOFKHPTSEWSC-CQSZACIVSA-N 0 3 292.448 3.191 50 0 CGAAHN CCc1ccc([C@H](C)NC[C@@H](O)c2cccc(OC)c2)o1 ZINC000097016892 529721248 /nfs/dbraw/zinc/72/12/48/529721248.db2.gz TUZHPILDFNZIBB-BLLLJJGKSA-N 0 3 289.375 3.235 50 0 CGAAHN CCn1ncc2c1CCC[C@@H]2NCc1cccc(OC)c1 ZINC000072298452 345408913 /nfs/dbraw/zinc/40/89/13/345408913.db2.gz MBYAMKKKLUTHRM-INIZCTEOSA-N 0 3 285.391 3.079 50 0 CGAAHN C[C@@H](CCc1ccccc1)N[C@@H](C)c1nnc2n1CCCC2 ZINC000089895750 345776878 /nfs/dbraw/zinc/77/68/78/345776878.db2.gz OFJRYXXVFYPYQM-GJZGRUSLSA-N 0 3 298.434 3.286 50 0 CGAAHN CN(C)C[C@@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000096027102 345901876 /nfs/dbraw/zinc/90/18/76/345901876.db2.gz GWKUOJPCBVXLJQ-QGZVFWFLSA-N 0 3 267.372 3.290 50 0 CGAAHN C[C@H](N[C@H]1CCCC[C@@H]1CO)c1nc2ccccc2o1 ZINC000097101707 345907133 /nfs/dbraw/zinc/90/71/33/345907133.db2.gz HYJRENBHCKGJLF-XQQFMLRXSA-N 0 3 274.364 3.030 50 0 CGAAHN c1ccc2ncc(CNC3CSCCSC3)cc2c1 ZINC000584885703 346721500 /nfs/dbraw/zinc/72/15/00/346721500.db2.gz ZYKSFGYHAAZEPE-UHFFFAOYSA-N 0 3 290.457 3.173 50 0 CGAAHN Cc1nocc1[C@H](C)NC[C@H](c1ccco1)N1CCCC1 ZINC000585134611 346724747 /nfs/dbraw/zinc/72/47/47/346724747.db2.gz BVZVQLBBEINCOC-SWLSCSKDSA-N 0 3 289.379 3.064 50 0 CGAAHN C[C@H](c1ccccn1)N(C)CC1(O)CCC(C)CC1 ZINC000091702247 180230525 /nfs/dbraw/zinc/23/05/25/180230525.db2.gz YUCGHCYDTWLXLD-NPCAHTBFSA-N 0 3 262.397 3.016 50 0 CGAAHN CS[C@@H]1CCC[C@H]1N(C)Cc1cccc(NC(C)=O)c1 ZINC000107145217 186160756 /nfs/dbraw/zinc/16/07/56/186160756.db2.gz UWIPTTVWJDUJIV-HZPDHXFCSA-N 0 3 292.448 3.361 50 0 CGAAHN C[C@H](CCc1ccco1)N[C@H](CO)c1ccc(F)cc1 ZINC000271476129 191161184 /nfs/dbraw/zinc/16/11/84/191161184.db2.gz MPOXFVOQCGDZGW-MLGOLLRUSA-N 0 3 277.339 3.063 50 0 CGAAHN Cc1nn(C)c(C)c1CN1CCC[C@@H](Nc2ccccc2)C1 ZINC000154888066 188168516 /nfs/dbraw/zinc/16/85/16/188168516.db2.gz SFLMJOHTRIIIBP-QGZVFWFLSA-N 0 3 298.434 3.113 50 0 CGAAHN COc1cccc(CN(C)C[C@H](C)c2nccs2)c1 ZINC000183971389 189373115 /nfs/dbraw/zinc/37/31/15/189373115.db2.gz GQRXTOPJHGCZHP-LBPRGKRZSA-N 0 3 276.405 3.387 50 0 CGAAHN COCc1cc(CN2CCCCCC2)ccc1OC ZINC000218889349 376191207 /nfs/dbraw/zinc/19/12/07/376191207.db2.gz ATCZBGZTGIFIBN-UHFFFAOYSA-N 0 3 263.381 3.218 50 0 CGAAHN CCc1nc2ccccc2c(NC(=O)CNC(C)C)c1C ZINC000000104420 368290349 /nfs/dbraw/zinc/29/03/49/368290349.db2.gz POJSGMLAGQPKRR-UHFFFAOYSA-N 0 3 285.391 3.042 50 0 CGAAHN COc1ccccc1N1CCN(CC2CCCCC2)CC1 ZINC000000277734 368330254 /nfs/dbraw/zinc/33/02/54/368330254.db2.gz YGZVUAJDWIUHIO-UHFFFAOYSA-N 0 3 288.435 3.398 50 0 CGAAHN Cc1cc(OCCN2CCCCC2)nc2ccccc12 ZINC000000544553 368385449 /nfs/dbraw/zinc/38/54/49/368385449.db2.gz HBPJBJXTCJMPOQ-UHFFFAOYSA-N 0 3 270.376 3.408 50 0 CGAAHN C[C@H](CN1CCCCC1)OC(=O)/C=C/c1ccccc1 ZINC000001776677 368438018 /nfs/dbraw/zinc/43/80/18/368438018.db2.gz CWYIKQNGWIEZGZ-AUECHBEKSA-N 0 3 273.376 3.117 50 0 CGAAHN CN(C)C[C@](C)(Oc1ccccc1)C(=O)c1ccccc1 ZINC000001843230 368440483 /nfs/dbraw/zinc/44/04/83/368440483.db2.gz CVYKYMGNMPBBKM-SFHVURJKSA-N 0 3 283.371 3.269 50 0 CGAAHN CC[C@@H](C)NCC(=O)Nc1ccccc1C(F)(F)F ZINC000002655779 368472936 /nfs/dbraw/zinc/47/29/36/368472936.db2.gz NDOMXUNDXMPPMQ-SECBINFHSA-N 0 3 274.286 3.032 50 0 CGAAHN CN(C)C/C=C/CC(O)(c1ccccc1)c1ccccc1 ZINC000002288603 368451627 /nfs/dbraw/zinc/45/16/27/368451627.db2.gz FCBWZHSHIBUKKP-MDZDMXLPSA-N 0 3 281.399 3.430 50 0 CGAAHN Cc1ccc(OCCOCCN2CCCCC2)c(C)c1 ZINC000002895562 368484702 /nfs/dbraw/zinc/48/47/02/368484702.db2.gz BZLSRWKFFZZVLO-UHFFFAOYSA-N 0 3 277.408 3.185 50 0 CGAAHN CN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1 ZINC000019609102 368758883 /nfs/dbraw/zinc/75/88/83/368758883.db2.gz KZKJQUPAQBXKNF-UHFFFAOYSA-N 0 3 278.399 3.005 50 0 CGAAHN Cc1cccc(Cc2noc(CCCN3CCCCC3)n2)c1 ZINC000019334614 368748771 /nfs/dbraw/zinc/74/87/71/368748771.db2.gz MYYWMTLMKZZXGX-UHFFFAOYSA-N 0 3 299.418 3.387 50 0 CGAAHN CCC(CC)N1CCN(Cc2ccccc2C)CC1 ZINC000019361717 368750184 /nfs/dbraw/zinc/75/01/84/368750184.db2.gz UHENSTMIZUUONR-UHFFFAOYSA-N 0 3 260.425 3.301 50 0 CGAAHN CCOc1ccc(CN2CCN([C@@H](C)CC)CC2)cc1 ZINC000019499937 368755716 /nfs/dbraw/zinc/75/57/16/368755716.db2.gz WFGJOMJMGKTLPT-HNNXBMFYSA-N 0 3 276.424 3.001 50 0 CGAAHN CC[C@@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccncc1 ZINC000019594975 368757957 /nfs/dbraw/zinc/75/79/57/368757957.db2.gz XXZTURWMDMNVQX-QGZVFWFLSA-N 0 3 297.402 3.024 50 0 CGAAHN c1ccc(CN2CCN(CC3CCCCC3)CC2)cc1 ZINC000022925187 368814578 /nfs/dbraw/zinc/81/45/78/368814578.db2.gz LLWQHVHWKHCUIO-UHFFFAOYSA-N 0 3 272.436 3.385 50 0 CGAAHN OC[C@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000023280716 368818787 /nfs/dbraw/zinc/81/87/87/368818787.db2.gz MLBNDXLLJFHQEK-GOSISDBHSA-N 0 3 297.398 3.222 50 0 CGAAHN c1nn(-c2ccccc2)cc1CNCCc1ccccc1 ZINC000019919766 368784815 /nfs/dbraw/zinc/78/48/15/368784815.db2.gz SDBZDYRFROHOCT-UHFFFAOYSA-N 0 3 277.371 3.205 50 0 CGAAHN FC(F)(F)C[C@@H]1NCCc2c3ccccc3[nH]c21 ZINC000019958085 368788809 /nfs/dbraw/zinc/78/88/09/368788809.db2.gz MSBSOKRUKVOFIK-NSHDSACASA-N 0 3 254.255 3.307 50 0 CGAAHN CCC(=O)Nc1ccc([C@H](C)NCc2cccnc2)cc1 ZINC000030640847 368904630 /nfs/dbraw/zinc/90/46/30/368904630.db2.gz NIQFYLJPIJCWAQ-ZDUSSCGKSA-N 0 3 283.375 3.281 50 0 CGAAHN COc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccccc1 ZINC000057392086 369537256 /nfs/dbraw/zinc/53/72/56/369537256.db2.gz ZFHXZHJKHYIVBA-ZIAGYGMSSA-N 0 3 298.386 3.373 50 0 CGAAHN CC[C@H](CO)N(CC=C(C)C)Cc1ccsc1 ZINC000055401861 369516155 /nfs/dbraw/zinc/51/61/55/369516155.db2.gz LSALKIABOKVYNL-CQSZACIVSA-N 0 3 253.411 3.287 50 0 CGAAHN COc1ccccc1OCCN1CCC[C@H]1c1ccc[nH]1 ZINC000058357157 369565045 /nfs/dbraw/zinc/56/50/45/369565045.db2.gz KRZPIKBPRYYACF-HNNXBMFYSA-N 0 3 286.375 3.239 50 0 CGAAHN C[C@H](Cn1cccn1)NCc1cnc(-c2ccccc2)s1 ZINC000069371331 369758043 /nfs/dbraw/zinc/75/80/43/369758043.db2.gz CKESURYBOIZJNK-CYBMUJFWSA-N 0 3 298.415 3.185 50 0 CGAAHN CCN(CCN1CCCC1)C(=O)c1cc(C)c(C)cc1C ZINC000067821404 369731951 /nfs/dbraw/zinc/73/19/51/369731951.db2.gz HWBVAIOFWQQUBN-UHFFFAOYSA-N 0 3 288.435 3.170 50 0 CGAAHN O[C@H](C[C@@H]1CCCN1Cc1ccccn1)c1ccccc1 ZINC000078947920 369956792 /nfs/dbraw/zinc/95/67/92/369956792.db2.gz FZUWAYQASXMSGK-ZWKOTPCHSA-N 0 3 282.387 3.170 50 0 CGAAHN CCS[C@H]1CC[C@@H](N(C)Cc2cccnc2)C1 ZINC000076067466 369928388 /nfs/dbraw/zinc/92/83/88/369928388.db2.gz DBQYULHFTADJIG-KGLIPLIRSA-N 0 3 250.411 3.188 50 0 CGAAHN Cc1cc(C)n(C[C@H](C)CN[C@H](C)c2ccco2)n1 ZINC000089594078 370043737 /nfs/dbraw/zinc/04/37/37/370043737.db2.gz VDFWCLFEXXXHRP-BXUZGUMPSA-N 0 3 261.369 3.080 50 0 CGAAHN CC(=O)Nc1cccc([C@H](C)N[C@H]2C=CCCC2)c1 ZINC000090393087 370060922 /nfs/dbraw/zinc/06/09/22/370060922.db2.gz DNXKNOODCZUJDD-WFASDCNBSA-N 0 3 258.365 3.404 50 0 CGAAHN CCc1ccc([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)o1 ZINC000090802460 370069466 /nfs/dbraw/zinc/06/94/66/370069466.db2.gz WJYVHESVGMNIEM-UONOGXRCSA-N 0 3 285.391 3.167 50 0 CGAAHN CCN(Cc1ccc(F)cc1Cl)C1CCOCC1 ZINC000097173272 370232945 /nfs/dbraw/zinc/23/29/45/370232945.db2.gz IXNXSAIUFZZCNL-UHFFFAOYSA-N 0 3 271.763 3.480 50 0 CGAAHN Fc1ccc(Cl)cc1CN[C@@H]1CCCc2cn[nH]c21 ZINC000097229636 370235235 /nfs/dbraw/zinc/23/52/35/370235235.db2.gz NCYVQOFYLNKSQC-CYBMUJFWSA-N 0 3 279.746 3.369 50 0 CGAAHN CCc1ccccc1NC(=O)CN[C@@H]1CCCC1(C)C ZINC000097230595 370235745 /nfs/dbraw/zinc/23/57/45/370235745.db2.gz QJBUBNFTNOQOJF-OAHLLOKOSA-N 0 3 274.408 3.356 50 0 CGAAHN Cc1nnc(CN[C@@H](Cc2ccc(F)cc2)C(C)C)s1 ZINC000097236446 370236362 /nfs/dbraw/zinc/23/63/62/370236362.db2.gz WYNFOTHVTLFXTI-AWEZNQCLSA-N 0 3 293.411 3.343 50 0 CGAAHN C[C@H](c1ccccn1)N1CCC(C2CCOCC2)CC1 ZINC000095434328 370192861 /nfs/dbraw/zinc/19/28/61/370192861.db2.gz RSZJGSVHJSLDTO-CQSZACIVSA-N 0 3 274.408 3.281 50 0 CGAAHN CCc1nc(C)c(CN(C)[C@@H](C)Cc2cc(C)ccn2)[nH]1 ZINC000097694685 370251917 /nfs/dbraw/zinc/25/19/17/370251917.db2.gz RQYIKZBFMWXZCL-ZDUSSCGKSA-N 0 3 286.423 3.047 50 0 CGAAHN COc1ccc(-c2nccc(N)c2OC)cc1Cl ZINC000426598879 372166538 /nfs/dbraw/zinc/16/65/38/372166538.db2.gz MSGPVWBVXMPGTO-UHFFFAOYSA-N 0 3 264.712 3.001 50 0 CGAAHN CC[C@H](N[C@H](C)C[S@](C)=O)c1cccc(Cl)c1F ZINC000162268328 372383484 /nfs/dbraw/zinc/38/34/84/372383484.db2.gz AQGUZCFLNDDHSG-RJVCPDIVSA-N 0 3 291.819 3.287 50 0 CGAAHN CN(C)c1cccc(CNCc2c[nH]nc2C(C)(C)C)c1 ZINC000084241070 541932974 /nfs/dbraw/zinc/93/29/74/541932974.db2.gz XDWFXNDCHRIGAL-UHFFFAOYSA-N 0 3 286.423 3.063 50 0 CGAAHN CCCN(CCN(C)C)c1ncnc2sc(C)c(C)c21 ZINC000084755202 541934771 /nfs/dbraw/zinc/93/47/71/541934771.db2.gz KDUIZIUBMWEMLE-UHFFFAOYSA-N 0 3 292.452 3.086 50 0 CGAAHN Cn1cccc1CN1CCC(Nc2ccccc2)CC1 ZINC000092164553 541971117 /nfs/dbraw/zinc/97/11/17/541971117.db2.gz HPJYMNOLSZFSQI-UHFFFAOYSA-N 0 3 269.392 3.102 50 0 CGAAHN Cc1ccc(CN(C)C[C@@]2(c3ccccc3)CCOC2)o1 ZINC000215240790 376147293 /nfs/dbraw/zinc/14/72/93/376147293.db2.gz IHGVNZMNPNCZGO-SFHVURJKSA-N 0 3 285.387 3.378 50 0 CGAAHN Cc1ccc([C@H](C)CCN(C)Cc2cn(C)nc2C)o1 ZINC000215984881 376154697 /nfs/dbraw/zinc/15/46/97/376154697.db2.gz ZFNIOWFUTAXNKD-GFCCVEGCSA-N 0 3 275.396 3.256 50 0 CGAAHN CN(CCN[C@H]1CCCc2c(O)cccc21)c1ccccc1 ZINC000225402922 376307396 /nfs/dbraw/zinc/30/73/96/376307396.db2.gz DVLSRRXJIIBOQD-SFHVURJKSA-N 0 3 296.414 3.496 50 0 CGAAHN CCN(CC)Cc1ccc(Br)c(F)c1 ZINC000230532833 376521619 /nfs/dbraw/zinc/52/16/19/376521619.db2.gz DWYUCDHRIPUSBZ-UHFFFAOYSA-N 0 3 260.150 3.430 50 0 CGAAHN CCS[C@@H]1CCC[C@@H]1NCc1nc(C)cs1 ZINC000233993855 376607743 /nfs/dbraw/zinc/60/77/43/376607743.db2.gz UKNJYLILQHCCMR-WDEREUQCSA-N 0 3 256.440 3.215 50 0 CGAAHN C[C@H](c1cccs1)N(C)CCc1cscn1 ZINC000253415715 377689769 /nfs/dbraw/zinc/68/97/69/377689769.db2.gz LOXVOZWALZBTHP-SNVBAGLBSA-N 0 3 252.408 3.440 50 0 CGAAHN NCc1c(Cl)cc(OCC(F)F)cc1Cl ZINC000575442497 377912417 /nfs/dbraw/zinc/91/24/17/377912417.db2.gz XGNLTMAEIKZRBU-UHFFFAOYSA-N 0 3 256.079 3.096 50 0 CGAAHN C[C@H](c1nc(-c2cscn2)no1)N1[C@H](C)CC[C@H]1C ZINC000278747924 194136170 /nfs/dbraw/zinc/13/61/70/194136170.db2.gz QWGXLZPBLVVKRZ-OPRDCNLKSA-N 0 3 278.381 3.127 50 0 CGAAHN Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1-c1ccccc1 ZINC000409415344 380029855 /nfs/dbraw/zinc/02/98/55/380029855.db2.gz BMQSVBAABVDWRQ-UHFFFAOYSA-N 0 3 290.326 3.308 50 0 CGAAHN CCOC1CC2(C1)CCN(Cc1sc(C)nc1C)C2 ZINC000353021774 380079993 /nfs/dbraw/zinc/07/99/93/380079993.db2.gz CPKVFGQDSGSDCN-UHFFFAOYSA-N 0 3 280.437 3.151 50 0 CGAAHN Cc1cccn2c(CN3CCCC34CCC4)cnc12 ZINC000365833095 382296521 /nfs/dbraw/zinc/29/65/21/382296521.db2.gz MKZUIOPZRFNOMD-UHFFFAOYSA-N 0 3 255.365 3.161 50 0 CGAAHN Clc1ccccc1CSc1nnc([C@H]2CCCN2)o1 ZINC000001277765 169693768 /nfs/dbraw/zinc/69/37/68/169693768.db2.gz OHZPWJQFNQRAMR-LLVKDONJSA-N 0 3 295.795 3.440 50 0 CGAAHN CCCCc1ccc(CN2CC[C@H](C(=O)NCC)C2)s1 ZINC000216533791 392991109 /nfs/dbraw/zinc/99/11/09/392991109.db2.gz GBSHVGXZPGHPHY-ZDUSSCGKSA-N 0 3 294.464 3.049 50 0 CGAAHN Cc1ncsc1CN1CCC2(CC2(F)F)CC1 ZINC000649773484 393581870 /nfs/dbraw/zinc/58/18/70/393581870.db2.gz UUUIGJUXQHGKIH-UHFFFAOYSA-N 0 3 258.337 3.073 50 0 CGAAHN CN1CCCCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000670437726 543154047 /nfs/dbraw/zinc/15/40/47/543154047.db2.gz RHHXSNSYEBFKJC-ZDUSSCGKSA-N 0 3 256.353 3.019 50 0 CGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)C1CCCC1 ZINC000000526079 292355144 /nfs/dbraw/zinc/35/51/44/292355144.db2.gz PLXBGSAVISPBTP-FUHWJXTLSA-N 0 3 298.430 3.320 50 0 CGAAHN C[C@@H](c1ccccc1[C@H](O)c1ccccc1)N(C)C ZINC000002904897 169843831 /nfs/dbraw/zinc/84/38/31/169843831.db2.gz LISUDWGNQOAYJR-SUMWQHHRSA-N 0 3 255.361 3.391 50 0 CGAAHN CC(C)Oc1ccc(OCCN2CCCCC2)cc1 ZINC000004841779 170028509 /nfs/dbraw/zinc/02/85/09/170028509.db2.gz HBMBPOJOTSTGJZ-UHFFFAOYSA-N 0 3 263.381 3.339 50 0 CGAAHN C[C@H](NC(=O)CN(C)C1CCCCC1)c1ccccc1 ZINC000006566718 170214203 /nfs/dbraw/zinc/21/42/03/170214203.db2.gz JTEZTGWSTKDUGH-AWEZNQCLSA-N 0 3 274.408 3.128 50 0 CGAAHN CC(=O)N1CCC(N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000037317990 173118465 /nfs/dbraw/zinc/11/84/65/173118465.db2.gz DBMFFYZXXMSIGE-SNVBAGLBSA-N 0 3 298.789 3.141 50 0 CGAAHN CCN1CCC[C@@H](c2nccn2CCOc2ccccc2)C1 ZINC000071749720 176259620 /nfs/dbraw/zinc/25/96/20/176259620.db2.gz NPXRJRVUCAQFQW-MRXNPFEDSA-N 0 3 299.418 3.161 50 0 CGAAHN Cc1cnn(C[C@H](C)NCc2ccc(F)c3cccnc23)c1 ZINC000071874924 176284690 /nfs/dbraw/zinc/28/46/90/176284690.db2.gz SLBPCKLROUSDRY-ZDUSSCGKSA-N 0 3 298.365 3.057 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+]C[C@H](Nc2ccccc2)C(C)C)n1 ZINC000118449154 416498913 /nfs/dbraw/zinc/49/89/13/416498913.db2.gz GKUJUJRGHBKVQJ-INIZCTEOSA-N 0 3 299.418 3.322 50 0 CGAAHN CN(C)C[C@H]1CCc2c3ccccc3ccc2C1=O ZINC000005700715 273801138 /nfs/dbraw/zinc/80/11/38/273801138.db2.gz XUVNFCHKOLMOIG-CYBMUJFWSA-N 0 3 253.345 3.147 50 0 CGAAHN C[C@@H](NCc1cc(F)cc2cccnc21)[C@H](C)n1cccn1 ZINC000071882125 274251836 /nfs/dbraw/zinc/25/18/36/274251836.db2.gz AOBRIIQFHBLWKP-OLZOCXBDSA-N 0 3 298.365 3.310 50 0 CGAAHN C[C@@H](O)[C@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000069703416 274274792 /nfs/dbraw/zinc/27/47/92/274274792.db2.gz PHSYIYILYOJWGI-MLGOLLRUSA-N 0 3 288.366 3.109 50 0 CGAAHN C[C@@H](c1ccccn1)N1CCC(C2CCOCC2)CC1 ZINC000095434327 274278656 /nfs/dbraw/zinc/27/86/56/274278656.db2.gz RSZJGSVHJSLDTO-AWEZNQCLSA-N 0 3 274.408 3.281 50 0 CGAAHN C[C@@H](C1CC1)N(CC[S@@](=O)c1ccccc1)C1CC1 ZINC000071856515 278218931 /nfs/dbraw/zinc/21/89/31/278218931.db2.gz HAMUDUVFCGIMRM-DJJJIMSYSA-N 0 3 277.433 3.057 50 0 CGAAHN CC[C@@H](NC1CCN(Cc2ccco2)CC1)c1ccccn1 ZINC000534589094 328317342 /nfs/dbraw/zinc/31/73/42/328317342.db2.gz IMXALGAWDATVSU-QGZVFWFLSA-N 0 3 299.418 3.380 50 0 CGAAHN Cc1cccc2c1[C@@H](C)C[C@@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000195558584 336056195 /nfs/dbraw/zinc/05/61/95/336056195.db2.gz PCOHFNDJPIMCGN-AYDFFVQHSA-N 0 3 257.377 3.070 50 0 CGAAHN C[C@H](NC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000014134543 525277398 /nfs/dbraw/zinc/27/73/98/525277398.db2.gz NUOHCZRMUBMBQP-VIFPVBQESA-N 0 3 288.313 3.421 50 0 CGAAHN Cc1nn(C)c(C)c1[C@@H](C)NC/C=C\c1ccccc1 ZINC000098009491 640890314 /nfs/dbraw/zinc/89/03/14/640890314.db2.gz CGGIHWNBIZSMDI-BIRHUZIMSA-N 0 3 269.392 3.401 50 0 CGAAHN Cn1cnnc1CNCC1CCC2(CCCCC2)CC1 ZINC000585118253 799678126 /nfs/dbraw/zinc/67/81/26/799678126.db2.gz IGTWNMQIHCYQHM-UHFFFAOYSA-N 0 3 276.428 3.045 50 0 CGAAHN CCc1nc(C)c(CNCc2cc3cc(OC)ccc3[nH]2)[nH]1 ZINC001506429627 937990137 /nfs/dbraw/zinc/99/01/37/937990137.db2.gz SKBLHDJTIKSKLE-UHFFFAOYSA-N 0 3 298.390 3.060 50 0 CGAAHN c1cc(CN[C@H]2CCSC2)cc(N2CCCCCC2)n1 ZINC000096477323 230379683 /nfs/dbraw/zinc/37/96/83/230379683.db2.gz NUPDSLZKQSLXGM-HNNXBMFYSA-N 0 3 291.464 3.057 50 0 CGAAHN C[C@@H](N[C@@H](C)CO)c1ccc(SC(F)F)cc1 ZINC000095968677 185047603 /nfs/dbraw/zinc/04/76/03/185047603.db2.gz NCPNPNNHBYPELA-DTWKUNHWSA-N 0 3 261.337 3.033 50 0 CGAAHN C[C@H](NCCn1ccnc1)c1ccc(-c2cccnc2)cc1 ZINC000095985865 185055747 /nfs/dbraw/zinc/05/57/47/185055747.db2.gz MPZDCPFQIFFWDX-HNNXBMFYSA-N 0 3 292.386 3.296 50 0 CGAAHN Cc1cc(-c2ccc(-c3c[nH]c(N)n3)cc2)ccn1 ZINC000096132163 185104938 /nfs/dbraw/zinc/10/49/38/185104938.db2.gz QOKACWPTIKCYCK-UHFFFAOYSA-N 0 3 250.305 3.029 50 0 CGAAHN CCc1cc(CN[C@@H](C)Cc2ccc(F)cc2)on1 ZINC000096478218 529528337 /nfs/dbraw/zinc/52/83/37/529528337.db2.gz CXWJVDWMQDASFS-NSHDSACASA-N 0 3 262.328 3.097 50 0 CGAAHN C[C@H]1CN([C@H]2C=CCCC2)CCN1[C@H]1C=CCCC1 ZINC000071907859 345405645 /nfs/dbraw/zinc/40/56/45/345405645.db2.gz WMMCZZMVJCNODN-ULQDDVLXSA-N 0 3 260.425 3.210 50 0 CGAAHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C(C)[C@@H]1N(C)C ZINC000096028032 345901689 /nfs/dbraw/zinc/90/16/89/345901689.db2.gz ACMGZYOBXCPVDH-FUHWJXTLSA-N 0 3 287.403 3.158 50 0 CGAAHN C[C@@H]([C@H](O)c1ccccc1)N(C)CCC(=O)c1ccccc1 ZINC000096026511 345901984 /nfs/dbraw/zinc/90/19/84/345901984.db2.gz ZKLHFLNDKHNOSE-KXBFYZLASA-N 0 3 297.398 3.313 50 0 CGAAHN c1cc(N[C@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)ccn1 ZINC000220569710 346295934 /nfs/dbraw/zinc/29/59/34/346295934.db2.gz UOBJAZONZSRDIK-JJXSEGSLSA-N 0 3 258.365 3.087 50 0 CGAAHN O=C(CCCN1CCCC1)c1ccc(F)c(F)c1 ZINC000085388652 179047197 /nfs/dbraw/zinc/04/71/97/179047197.db2.gz UVKSISHVBLZHKC-UHFFFAOYSA-N 0 3 253.292 3.024 50 0 CGAAHN Cc1nccn1C[C@@H](C)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584895426 346722774 /nfs/dbraw/zinc/72/27/74/346722774.db2.gz XXFYMVOLHGLWMH-LLVKDONJSA-N 0 3 291.345 3.137 50 0 CGAAHN Cc1nccn1-c1ccc([C@@H](C)NCc2cccnc2)cc1 ZINC000086279098 179263050 /nfs/dbraw/zinc/26/30/50/179263050.db2.gz GUGVXXYYIJHZKB-CQSZACIVSA-N 0 3 292.386 3.427 50 0 CGAAHN Cc1nc(C)c(C)c(N(C)Cc2cccc(CN(C)C)c2)n1 ZINC000091997315 180302844 /nfs/dbraw/zinc/30/28/44/180302844.db2.gz LDRYCCSCLIYIEM-UHFFFAOYSA-N 0 3 298.434 3.100 50 0 CGAAHN Cc1nn(C)c(C)c1CN1CCC[C@H](CC(F)(F)F)C1 ZINC000420940968 235776676 /nfs/dbraw/zinc/77/66/76/235776676.db2.gz FAUVIRFFLISGMS-GFCCVEGCSA-N 0 3 289.345 3.201 50 0 CGAAHN CCc1ccc([C@H]2NCCc3cc4c(cc32)OCCO4)cc1 ZINC000000140546 368301337 /nfs/dbraw/zinc/30/13/37/368301337.db2.gz WYZSWNVETMWLSL-LJQANCHMSA-N 0 3 295.382 3.255 50 0 CGAAHN Cc1ccc(N2CCN(CCc3ccccc3)CC2)cc1 ZINC000000277331 368330307 /nfs/dbraw/zinc/33/03/07/368330307.db2.gz IUBPKAQOGIZZMD-UHFFFAOYSA-N 0 3 280.415 3.360 50 0 CGAAHN Brc1ccc(OCCN2CCCCC2)cc1 ZINC000000431502 368363911 /nfs/dbraw/zinc/36/39/11/368363911.db2.gz PDUKJODPFIFHNK-UHFFFAOYSA-N 0 3 284.197 3.314 50 0 CGAAHN Cc1cc2oc(=O)cc(CN3CCCC[C@H]3C)c2cc1O ZINC000002123702 368447017 /nfs/dbraw/zinc/44/70/17/368447017.db2.gz RQUGNXHNRZZRAX-GFCCVEGCSA-N 0 3 287.359 3.181 50 0 biogenic CGAAHN Cc1ccc(C)c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000002686911 368473090 /nfs/dbraw/zinc/47/30/90/368473090.db2.gz CUDWOFARGHVODJ-WMZOPIPTSA-N 0 3 299.414 3.394 50 0 CGAAHN OCCNCc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000002846209 368481025 /nfs/dbraw/zinc/48/10/25/368481025.db2.gz GKTWLVRDKNIZAP-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN CCN1CCC(NC(=O)Nc2cccc3ccccc32)CC1 ZINC000011006432 368587595 /nfs/dbraw/zinc/58/75/95/368587595.db2.gz ODYZIEXMBWUGGU-UHFFFAOYSA-N 0 3 297.402 3.446 50 0 CGAAHN Fc1cccc(CC[C@@H]2CCCN(Cc3c[nH]cn3)C2)c1 ZINC000011936596 368601373 /nfs/dbraw/zinc/60/13/73/368601373.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 0 3 287.382 3.394 50 0 CGAAHN Fc1cccc(CC[C@@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC000011936596 368601376 /nfs/dbraw/zinc/60/13/76/368601376.db2.gz WRBGXZILUDVGEP-HNNXBMFYSA-N 0 3 287.382 3.394 50 0 CGAAHN CC[C@@H](C)N1CCN(Cc2ccc(SC)cc2)CC1 ZINC000019842556 368771921 /nfs/dbraw/zinc/77/19/21/368771921.db2.gz FJCBWLTZZOTKPY-CQSZACIVSA-N 0 3 278.465 3.325 50 0 CGAAHN Cc1n[nH]c(C)c1CN(C)CCCCc1ccccc1 ZINC000019958411 368789384 /nfs/dbraw/zinc/78/93/84/368789384.db2.gz DBBQBIMDNKIAGN-UHFFFAOYSA-N 0 3 271.408 3.481 50 0 CGAAHN N[C@H](c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000019972334 368792458 /nfs/dbraw/zinc/79/24/58/368792458.db2.gz UXJHXOOPEBTWIY-LBPRGKRZSA-N 0 3 252.239 3.149 50 0 CGAAHN CN(C)Cc1cccc(CNc2ncnc3ccsc32)c1 ZINC000025568187 368848913 /nfs/dbraw/zinc/84/89/13/368848913.db2.gz BSZXNYYYKOKUSR-UHFFFAOYSA-N 0 3 298.415 3.365 50 0 CGAAHN C[C@H](NC(=O)c1ccccc1)[C@@H](c1ccccc1)N(C)C ZINC000035587964 369003056 /nfs/dbraw/zinc/00/30/56/369003056.db2.gz BSEBOXRPIWDTLS-YOEHRIQHSA-N 0 3 282.387 3.108 50 0 CGAAHN CCN1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC000049590123 369411262 /nfs/dbraw/zinc/41/12/62/369411262.db2.gz ZSIJQKNFGDQLHE-QGZVFWFLSA-N 0 3 282.387 3.054 50 0 CGAAHN COc1ccccc1NC(=O)[C@H](C)N[C@H](C)c1ccccc1 ZINC000057392083 369537808 /nfs/dbraw/zinc/53/78/08/369537808.db2.gz ZFHXZHJKHYIVBA-KGLIPLIRSA-N 0 3 298.386 3.373 50 0 CGAAHN Cc1ccccc1N1CCN(Cc2ccccc2)CC1 ZINC000055544012 369520255 /nfs/dbraw/zinc/52/02/55/369520255.db2.gz YLMMCVGUYQFJAU-UHFFFAOYSA-N 0 3 266.388 3.317 50 0 CGAAHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000056503213 369526219 /nfs/dbraw/zinc/52/62/19/369526219.db2.gz WVXBPBROOHOSGF-CHWSQXEVSA-N 0 3 293.386 3.068 50 0 CGAAHN Clc1ccc(CN2CCCN(C3CC3)CC2)cc1 ZINC000058405009 369567639 /nfs/dbraw/zinc/56/76/39/369567639.db2.gz ZAFQJTKCXQAWKZ-UHFFFAOYSA-N 0 3 264.800 3.010 50 0 CGAAHN Cc1ccccc1[C@@]1(O)CCN(Cc2cccs2)C1 ZINC000065396794 369672828 /nfs/dbraw/zinc/67/28/28/369672828.db2.gz DOWUFGIJFJKUBL-MRXNPFEDSA-N 0 3 273.401 3.150 50 0 CGAAHN C[C@@H](c1cccnc1)N(C)Cc1cccc(-n2cccn2)c1 ZINC000065426605 369676078 /nfs/dbraw/zinc/67/60/78/369676078.db2.gz JTVRTOVYXHMNBA-HNNXBMFYSA-N 0 3 292.386 3.460 50 0 CGAAHN CC[C@@H](c1cccnc1)N(C)Cc1ccc2nonc2c1 ZINC000067741552 369727306 /nfs/dbraw/zinc/72/73/06/369727306.db2.gz ZKSUFQVTJRBUCO-INIZCTEOSA-N 0 3 282.347 3.201 50 0 CGAAHN FC(F)(F)c1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000070458763 369801339 /nfs/dbraw/zinc/80/13/39/369801339.db2.gz PULOKOXWPGSBCU-SNVBAGLBSA-N 0 3 283.253 3.180 50 0 CGAAHN CCSC[C@H](C)N(C)Cc1cccc(NC(C)=O)c1 ZINC000072903151 369843747 /nfs/dbraw/zinc/84/37/47/369843747.db2.gz CGWKFRGVUTXPRL-LBPRGKRZSA-N 0 3 280.437 3.218 50 0 CGAAHN CCSc1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000072995828 369848047 /nfs/dbraw/zinc/84/80/47/369848047.db2.gz RXPNXIBTFHWNMR-LBPRGKRZSA-N 0 3 278.421 3.079 50 0 CGAAHN O[C@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000074938391 369891303 /nfs/dbraw/zinc/89/13/03/369891303.db2.gz JMBMIGJCORKXEN-KRWDZBQOSA-N 0 3 279.383 3.233 50 0 CGAAHN Fc1cccc(Cl)c1CNC[C@@H]1CSCCS1 ZINC000075109937 369895765 /nfs/dbraw/zinc/89/57/65/369895765.db2.gz ILLBBQAPQFDGDK-SECBINFHSA-N 0 3 291.844 3.417 50 0 CGAAHN CC(C)N(Cc1nnc(-c2ccccc2)o1)C1CCC1 ZINC000075145345 369896407 /nfs/dbraw/zinc/89/64/07/369896407.db2.gz RLVBPOGKTKLESS-UHFFFAOYSA-N 0 3 271.364 3.500 50 0 CGAAHN CN(Cc1cc2ccccc2o1)C[C@H]1CCCCO1 ZINC000080068330 369982935 /nfs/dbraw/zinc/98/29/35/369982935.db2.gz XQMJHFSANGEEAP-CQSZACIVSA-N 0 3 259.349 3.434 50 0 CGAAHN Cc1ccnc(NC[C@H](c2ccccc2)N2CCCCC2)n1 ZINC000095382320 370181500 /nfs/dbraw/zinc/18/15/00/370181500.db2.gz SVMDTWRFIITMMJ-QGZVFWFLSA-N 0 3 296.418 3.424 50 0 CGAAHN C[C@@H](c1cccc(F)c1)N1CCC(c2cn[nH]c2)CC1 ZINC000097202885 370233066 /nfs/dbraw/zinc/23/30/66/370233066.db2.gz RHGGOWAYYWFRHB-LBPRGKRZSA-N 0 3 273.355 3.489 50 0 CGAAHN COC[C@H]1CCCCN1Cc1ccc(OC(F)F)cc1 ZINC000097514277 370245925 /nfs/dbraw/zinc/24/59/25/370245925.db2.gz PXOGUCSQBTZAAW-CYBMUJFWSA-N 0 3 285.334 3.289 50 0 CGAAHN CCc1nc(C)c(CN(C)[C@H](C)Cc2cc(C)ccn2)[nH]1 ZINC000097694686 370251190 /nfs/dbraw/zinc/25/11/90/370251190.db2.gz RQYIKZBFMWXZCL-CYBMUJFWSA-N 0 3 286.423 3.047 50 0 CGAAHN COc1cccc(F)c1[C@H](C)NCCc1ccccn1 ZINC000095419137 370186379 /nfs/dbraw/zinc/18/63/79/370186379.db2.gz GJGCPAMCHVGZJP-LBPRGKRZSA-N 0 3 274.339 3.123 50 0 CGAAHN C[C@H](NCCSc1ccccc1F)c1cnn(C)c1 ZINC000095422366 370188437 /nfs/dbraw/zinc/18/84/37/370188437.db2.gz KQPZUPKGHAGUTC-NSHDSACASA-N 0 3 279.384 3.002 50 0 CGAAHN C[C@@H](NC[C@@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423037 370190382 /nfs/dbraw/zinc/19/03/82/370190382.db2.gz GMSVGVDCHZKWLR-IAQYHMDHSA-N 0 3 279.380 3.446 50 0 CGAAHN C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc(O)c1 ZINC000095448889 370195606 /nfs/dbraw/zinc/19/56/06/370195606.db2.gz JVLZGOHPAZSEFI-SJCJKPOMSA-N 0 3 289.350 3.133 50 0 CGAAHN CN(Cc1cnc2ccccn12)C[C@@H]1CC=CCC1 ZINC000097744722 370251819 /nfs/dbraw/zinc/25/18/19/370251819.db2.gz NADWVSADDRRVBD-CQSZACIVSA-N 0 3 255.365 3.122 50 0 CGAAHN COc1ccccc1OCCN1CC[C@H](C)[C@H](C)C1 ZINC000101771954 370294923 /nfs/dbraw/zinc/29/49/23/370294923.db2.gz QTEPPUOVUCXBTM-UONOGXRCSA-N 0 3 263.381 3.052 50 0 CGAAHN COc1ccc(CCCN(C)[C@H](C)c2cnccn2)cc1 ZINC000170596949 372642198 /nfs/dbraw/zinc/64/21/98/372642198.db2.gz PHOIPROARKMBRT-CQSZACIVSA-N 0 3 285.391 3.111 50 0 CGAAHN Cc1noc(C)c1CN(C)[C@@H](C)Cc1ccsc1 ZINC000081599722 541926591 /nfs/dbraw/zinc/92/65/91/541926591.db2.gz UXDOHWFSWHTFBK-JTQLQIEISA-N 0 3 264.394 3.416 50 0 CGAAHN NCc1cccc(C(=O)Nc2nc3ccccc3s2)c1 ZINC000082699670 541929435 /nfs/dbraw/zinc/92/94/35/541929435.db2.gz XNTNFSWPTFKKAV-UHFFFAOYSA-N 0 3 283.356 3.007 50 0 CGAAHN CC[C@@](C)(CC(=O)OC)NCc1nc2ccccc2s1 ZINC000084721139 541935252 /nfs/dbraw/zinc/93/52/52/541935252.db2.gz DOLRFKDSMVBTSP-HNNXBMFYSA-N 0 3 292.404 3.118 50 0 CGAAHN CCc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCC[C@@H](CC)C1 ZINC000195541247 376111988 /nfs/dbraw/zinc/11/19/88/376111988.db2.gz SYMRUWXBFXIQDV-MCIONIFRSA-N 0 3 276.428 3.234 50 0 CGAAHN Cc1nc(C(C)C)sc1[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000195558630 376112106 /nfs/dbraw/zinc/11/21/06/376112106.db2.gz IJEUWPKURIVJEB-KGYLQXTDSA-N 0 3 280.437 3.163 50 0 CGAAHN COc1c(N)ccnc1-c1ccc([C@H](C)OC)cc1 ZINC000215974622 376154969 /nfs/dbraw/zinc/15/49/69/376154969.db2.gz TWTFAXLQCHLUQC-JTQLQIEISA-N 0 3 258.321 3.047 50 0 CGAAHN CC[C@@H](c1ccc(Br)cc1)N1CC[C@@H](CO)C1 ZINC000222130416 376229119 /nfs/dbraw/zinc/22/91/19/376229119.db2.gz OOWRXTQXBIGFMF-RISCZKNCSA-N 0 3 298.224 3.214 50 0 CGAAHN COCC[C@H]1CCCCN(Cc2cn(C(C)C)nc2C)C1 ZINC000253432218 377693068 /nfs/dbraw/zinc/69/30/68/377693068.db2.gz XDGQXGMXYAEHSB-MRXNPFEDSA-N 0 3 293.455 3.411 50 0 CGAAHN c1coc(C2=CCCN(CCC[C@H]3CCOC3)C2)c1 ZINC000645908832 380770176 /nfs/dbraw/zinc/77/01/76/380770176.db2.gz RUNCZYRCGQDGJW-AWEZNQCLSA-N 0 3 261.365 3.185 50 0 CGAAHN CC(C)(CO)NCc1ccccc1OCc1ccccc1 ZINC000000359880 169616854 /nfs/dbraw/zinc/61/68/54/169616854.db2.gz HXVBXANSENBJAN-UHFFFAOYSA-N 0 3 285.387 3.126 50 0 CGAAHN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000257365125 542354612 /nfs/dbraw/zinc/35/46/12/542354612.db2.gz OEHZBBYFDTUIEI-WCQYABFASA-N 0 3 290.798 3.399 50 0 CGAAHN CC(C)OCC[C@H]1CCCCN1Cc1ccncc1 ZINC000095431956 184981225 /nfs/dbraw/zinc/98/12/25/184981225.db2.gz WZPVKHFYNDLDJY-MRXNPFEDSA-N 0 3 262.397 3.251 50 0 CGAAHN Cc1cc(N2CCOCC2)c2ccc(C(F)(F)F)cc2n1 ZINC000005553864 391923090 /nfs/dbraw/zinc/92/30/90/391923090.db2.gz WUYFYMMHEIVRKB-UHFFFAOYSA-N 0 3 296.292 3.399 50 0 CGAAHN COc1cccc(CNCc2c[nH]nc2-c2cccs2)c1 ZINC000037489240 391980518 /nfs/dbraw/zinc/98/05/18/391980518.db2.gz BCOPUKIXEPVBAI-UHFFFAOYSA-N 0 3 299.399 3.437 50 0 CGAAHN CCN(CC)C(=O)Oc1cccc([C@@H](C)N(C)C)c1 ZINC000096028238 392245107 /nfs/dbraw/zinc/24/51/07/392245107.db2.gz GRLIVEWNSBETGE-GFCCVEGCSA-N 0 3 264.369 3.150 50 0 CGAAHN Cc1n[nH]c(C)c1CNCc1ccc(COC(C)C)cc1 ZINC000097159620 392260487 /nfs/dbraw/zinc/26/04/87/392260487.db2.gz WWHPTSBNYKUCTA-UHFFFAOYSA-N 0 3 287.407 3.241 50 0 CGAAHN Nc1ncccc1CN1CCC2(CCc3ccccc32)CC1 ZINC000670434580 543154572 /nfs/dbraw/zinc/15/45/72/543154572.db2.gz JLMMHPSEJACKLB-UHFFFAOYSA-N 0 3 293.414 3.144 50 0 CGAAHN CCCCc1ncc(CN2CC[C@H](Oc3ccccc3)C2)[nH]1 ZINC000670463586 543156520 /nfs/dbraw/zinc/15/65/20/543156520.db2.gz RYSVSTCCVAFRLK-KRWDZBQOSA-N 0 3 299.418 3.406 50 0 CGAAHN CCCCc1ncc(CN2CC[C@@H](Oc3ccccc3)C2)[nH]1 ZINC000670463587 543156346 /nfs/dbraw/zinc/15/63/46/543156346.db2.gz RYSVSTCCVAFRLK-QGZVFWFLSA-N 0 3 299.418 3.406 50 0 CGAAHN Clc1ccc(CNC[C@H]2CCCO2)cc1Cl ZINC000004700884 170001367 /nfs/dbraw/zinc/00/13/67/170001367.db2.gz DGBYCDGLPOVSMD-SNVBAGLBSA-N 0 3 260.164 3.262 50 0 CGAAHN CCCCNCC(=O)Nc1ccc(OCCCC)cc1 ZINC000004772970 170014707 /nfs/dbraw/zinc/01/47/07/170014707.db2.gz KSWMMYOEKPWQTO-UHFFFAOYSA-N 0 3 278.396 3.194 50 0 CGAAHN CC(=O)c1cccc(OCCN2C[C@H](C)C[C@H](C)C2)c1 ZINC000004841739 170028582 /nfs/dbraw/zinc/02/85/82/170028582.db2.gz VVYNWWQREPVHQQ-OKILXGFUSA-N 0 3 275.392 3.246 50 0 CGAAHN CN(C)CC[C@@H](O)c1cc(Cl)sc1Cl ZINC000005659149 170124649 /nfs/dbraw/zinc/12/46/49/170124649.db2.gz PQMZCGBHWBPQDB-SSDOTTSWSA-N 0 3 254.182 3.040 50 0 CGAAHN CCC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062828 170362837 /nfs/dbraw/zinc/36/28/37/170362837.db2.gz HGEBMYILQUULGF-OAHLLOKOSA-N 0 3 288.435 3.203 50 0 CGAAHN O=C(NCc1ccco1)c1ccc(CN2CCCCC2)cc1 ZINC000009114224 170363969 /nfs/dbraw/zinc/36/39/69/170363969.db2.gz BIUGUBACHIKOJR-UHFFFAOYSA-N 0 3 298.386 3.196 50 0 CGAAHN Cc1cc(NC(=O)CNC(C)(C)C)ccc1Br ZINC000009484287 170378802 /nfs/dbraw/zinc/37/88/02/170378802.db2.gz OSLQDUYCZHBBQX-UHFFFAOYSA-N 0 3 299.212 3.084 50 0 CGAAHN CN(C)CCN(Cc1ccc(Cl)cc1)c1ccccn1 ZINC000020148995 171037401 /nfs/dbraw/zinc/03/74/01/171037401.db2.gz ICKFFNBDFNZJSX-UHFFFAOYSA-N 0 3 289.810 3.303 50 0 world CGAAHN Cc1ccc(-c2noc(CCCN3CCCCC3)n2)cc1 ZINC000020234049 171095555 /nfs/dbraw/zinc/09/55/55/171095555.db2.gz HCWNMMWWXBTTHH-UHFFFAOYSA-N 0 3 285.391 3.464 50 0 CGAAHN Cc1ccn(CCN2CCC(Oc3ccccc3C)CC2)n1 ZINC000020995836 171283549 /nfs/dbraw/zinc/28/35/49/171283549.db2.gz ILWZAQLRRPCPMT-UHFFFAOYSA-N 0 3 299.418 3.043 50 0 CGAAHN Fc1ccc([C@H]2CNC[C@@H](c3ccccc3)O2)cc1 ZINC000035285264 172103792 /nfs/dbraw/zinc/10/37/92/172103792.db2.gz ARMWCMRIECSWLI-JKSUJKDBSA-N 0 3 257.308 3.228 50 0 CGAAHN CN(C)C[C@H](CCCO[C@H]1CCCCO1)c1ccccn1 ZINC000044124660 175143608 /nfs/dbraw/zinc/14/36/08/175143608.db2.gz YYCZUUUEUWNRIS-RDJZCZTQSA-N 0 3 292.423 3.050 50 0 CGAAHN CS[C@H](C)CCN1CCN(Cc2cccc(F)c2)CC1 ZINC000072133848 176321842 /nfs/dbraw/zinc/32/18/42/176321842.db2.gz GKXUXOVOQLYNSB-CQSZACIVSA-N 0 3 296.455 3.085 50 0 CGAAHN C[C@@H]1CCCCN1C1CN(Cc2ccnc3ccccc23)C1 ZINC000072167434 176331469 /nfs/dbraw/zinc/33/14/69/176331469.db2.gz JPIQRWVZXGDMEP-OAHLLOKOSA-N 0 3 295.430 3.293 50 0 CGAAHN Cc1cc(CN(C)Cc2cc(CN(C)C)cs2)ccn1 ZINC000215007793 262338404 /nfs/dbraw/zinc/33/84/04/262338404.db2.gz PYXLCHHWKJXKNK-UHFFFAOYSA-N 0 3 289.448 3.145 50 0 CGAAHN Brc1ccc(-c2cc3c(o2)CCNC3)cc1 ZINC000034318197 275368547 /nfs/dbraw/zinc/36/85/47/275368547.db2.gz IHTFBATWBOWMCE-UHFFFAOYSA-N 0 3 278.149 3.355 50 0 CGAAHN CCC[C@H](N)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 ZINC000037031595 276043289 /nfs/dbraw/zinc/04/32/89/276043289.db2.gz ZHISISWWPBYLEY-NWDGAFQWSA-N 0 3 298.839 3.121 50 0 CGAAHN C[C@@H](NC[C@@H]1COC2(CCCC2)O1)c1cccc(F)c1 ZINC000095983771 278352284 /nfs/dbraw/zinc/35/22/84/278352284.db2.gz JSQPDEFUONEKJH-IUODEOHRSA-N 0 3 279.355 3.162 50 0 CGAAHN CCc1ccc([C@@H]2NCCc3cc4c(cc32)OCCO4)cc1 ZINC000000140544 281421696 /nfs/dbraw/zinc/42/16/96/281421696.db2.gz WYZSWNVETMWLSL-IBGZPJMESA-N 0 3 295.382 3.255 50 0 CGAAHN Fc1ccccc1C1(NC2CCC3(CC2)OCCO3)CC1 ZINC000157322550 303136918 /nfs/dbraw/zinc/13/69/18/303136918.db2.gz IRIXIFUYQLYBQO-UHFFFAOYSA-N 0 3 291.366 3.090 50 0 CGAAHN Clc1cccc(C2(N[C@H]3CCSC3)CC2)c1 ZINC000390772750 328450554 /nfs/dbraw/zinc/45/05/54/328450554.db2.gz XKUSVHHGPXAUPG-LBPRGKRZSA-N 0 3 253.798 3.424 50 0 CGAAHN CCSc1ccccc1[C@H](C)N[C@@H]1C=C[C@H](CO)C1 ZINC000195558657 336056100 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/nfs/dbraw/zinc/63/80/12/377638012.db2.gz KRGRTWXJMAWMNM-ZIAGYGMSSA-N 0 3 287.325 3.098 50 0 CGAAHN Cc1ccc2[nH]c([C@H]3CCCN3CC3CCOCC3)nc2c1 ZINC000020862607 391942846 /nfs/dbraw/zinc/94/28/46/391942846.db2.gz PSHPIFMQIRHZBN-QGZVFWFLSA-N 0 3 299.418 3.435 50 0 CGAAHN Cc1ccc2nc([C@H]3CCCN3CC3CCOCC3)[nH]c2c1 ZINC000020862607 391942851 /nfs/dbraw/zinc/94/28/51/391942851.db2.gz PSHPIFMQIRHZBN-QGZVFWFLSA-N 0 3 299.418 3.435 50 0 CGAAHN c1csc(-c2nc(CNC3CCOCC3)cs2)c1 ZINC000096403968 392248974 /nfs/dbraw/zinc/24/89/74/392248974.db2.gz NWDMJRIHGKSUOZ-UHFFFAOYSA-N 0 3 280.418 3.140 50 0 CGAAHN COc1ccc2c(c1)CCN(CC[C@H]1CC1(F)F)C2 ZINC000670458310 543156807 /nfs/dbraw/zinc/15/68/07/543156807.db2.gz UGLCBRONMNBTNE-ZDUSSCGKSA-N 0 3 267.319 3.099 50 0 CGAAHN CN(Cc1ccc(C(F)(F)F)c(F)c1)CC(C)(C)CO ZINC000670473587 543157573 /nfs/dbraw/zinc/15/75/73/543157573.db2.gz PQLMWFJSXDPZTD-UHFFFAOYSA-N 0 3 293.304 3.295 50 0 CGAAHN Cc1ccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000002663402 169819495 /nfs/dbraw/zinc/81/94/95/169819495.db2.gz AMORGMKKSNTPCK-KRWDZBQOSA-N 0 3 297.402 3.419 50 0 CGAAHN CC(=O)CCc1ccc(OCCN2CCCCC2)cc1 ZINC000004843187 170029047 /nfs/dbraw/zinc/02/90/47/170029047.db2.gz PLEVRBSOFBZOET-UHFFFAOYSA-N 0 3 275.392 3.073 50 0 CGAAHN Clc1ccccc1CSc1nnc([C@@H]2CCCN2)o1 ZINC000005557466 170113223 /nfs/dbraw/zinc/11/32/23/170113223.db2.gz OHZPWJQFNQRAMR-NSHDSACASA-N 0 3 295.795 3.440 50 0 CGAAHN O[C@H](CNC/C=C/c1ccccc1)c1ccccc1 ZINC000006703798 170230730 /nfs/dbraw/zinc/23/07/30/170230730.db2.gz KGVMWXOXZIZYGK-PYUISTEWSA-N 0 3 253.345 3.023 50 0 CGAAHN c1coc(CNCCSCc2cccs2)c1 ZINC000008232263 170326087 /nfs/dbraw/zinc/32/60/87/170326087.db2.gz ILDNRZDMRBPQHZ-UHFFFAOYSA-N 0 3 253.392 3.364 50 0 CGAAHN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC(C)CC1 ZINC000008318339 170330611 /nfs/dbraw/zinc/33/06/11/170330611.db2.gz PQDIARDIJNKCPG-CYBMUJFWSA-N 0 3 294.826 3.077 50 0 CGAAHN CCOc1ccc(Br)cc1CNC1CC1 ZINC000008324493 170330890 /nfs/dbraw/zinc/33/08/90/170330890.db2.gz KWAVDBSKYJYMJB-UHFFFAOYSA-N 0 3 270.170 3.100 50 0 CGAAHN CCN1CCC(NC(=O)c2csc3ccccc23)CC1 ZINC000020608756 171267379 /nfs/dbraw/zinc/26/73/79/171267379.db2.gz GJRWFGOVGYFRSE-UHFFFAOYSA-N 0 3 288.416 3.115 50 0 CGAAHN c1ccc(CC[C@@H]2CN(C3CCSCC3)CCO2)cc1 ZINC000020919280 171279726 /nfs/dbraw/zinc/27/97/26/171279726.db2.gz NJNGOOZMKJJSAC-QGZVFWFLSA-N 0 3 291.460 3.216 50 0 CGAAHN C/C=C(\C)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000022455384 171388248 /nfs/dbraw/zinc/38/82/48/171388248.db2.gz GWDYYIIJGQJYPN-VJOITTNLSA-N 0 3 270.420 3.284 50 0 CGAAHN CN(C)CCN(C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000022586565 171392901 /nfs/dbraw/zinc/39/29/01/171392901.db2.gz OMKBYZXNRRNTGX-UHFFFAOYSA-N 0 3 280.415 3.251 50 0 CGAAHN C[C@@H]1CCCN(CCNC(=O)Nc2ccc(Cl)cc2)C1 ZINC000040145628 174194670 /nfs/dbraw/zinc/19/46/70/174194670.db2.gz SFZZFUJWBJHBSB-GFCCVEGCSA-N 0 3 295.814 3.193 50 0 CGAAHN Cc1cccc(CNCc2ccc(-n3cncn3)c(F)c2)c1 ZINC000044861843 175267078 /nfs/dbraw/zinc/26/70/78/175267078.db2.gz NKCZTPGILKOTQX-UHFFFAOYSA-N 0 3 296.349 3.005 50 0 CGAAHN Cc1cc(CN2CCC(c3ccccc3)CC2)on1 ZINC000078254055 177328966 /nfs/dbraw/zinc/32/89/66/177328966.db2.gz WNBIDRARFJIFPL-UHFFFAOYSA-N 0 3 256.349 3.363 50 0 CGAAHN c1oc(-c2ccccc2)nc1CCNCc1ccccn1 ZINC000078552450 177353442 /nfs/dbraw/zinc/35/34/42/177353442.db2.gz UCKWHKIKKKYYLD-UHFFFAOYSA-N 0 3 279.343 3.069 50 0 CGAAHN c1ccc2[nH]c([C@H]3CCCN(C[C@@H]4CCCCO4)C3)nc2c1 ZINC000050789541 275068912 /nfs/dbraw/zinc/06/89/12/275068912.db2.gz RXVGRERLHAGWCA-GJZGRUSLSA-N 0 3 299.418 3.311 50 0 CGAAHN Cc1cc(Br)cc(C)c1OCCN(C)C ZINC000004905700 280307645 /nfs/dbraw/zinc/30/76/45/280307645.db2.gz SMXLCKRGVLVXAW-UHFFFAOYSA-N 0 3 272.186 3.006 50 0 CGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccco1 ZINC000004144683 281128425 /nfs/dbraw/zinc/12/84/25/281128425.db2.gz UZXWVNVUOFWQOO-ZBFHGGJFSA-N 0 3 296.370 3.036 50 0 CGAAHN Cc1ccc2sc(-c3nc4c([nH]3)CNCC4)cc2c1 ZINC000097797376 281184493 /nfs/dbraw/zinc/18/44/93/281184493.db2.gz YPJWASYBYMDUOT-UHFFFAOYSA-N 0 3 269.373 3.246 50 0 CGAAHN CN(C)CCNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019872357 521787091 /nfs/dbraw/zinc/78/70/91/521787091.db2.gz BNTZQRQTCDFDIJ-UHFFFAOYSA-N 0 3 296.773 3.390 50 0 CGAAHN CCCc1cc(CN(C)[C@@H]2CCN(c3ccccc3)C2)n[nH]1 ZINC000952965196 636776039 /nfs/dbraw/zinc/77/60/39/636776039.db2.gz CDGSCFJGGOTVRL-GOSISDBHSA-N 0 3 298.434 3.073 50 0 CGAAHN CCCO[C@H]1CCCN(Cc2cccc3c2OCO3)CC1 ZINC000093316976 640767906 /nfs/dbraw/zinc/76/79/06/640767906.db2.gz SHSNATJEKMYWNU-HNNXBMFYSA-N 0 3 291.391 3.196 50 0 CGAAHN CCSC[C@@H](C)N(C)Cc1cnc2ccccc2n1 ZINC000823421465 800466838 /nfs/dbraw/zinc/46/68/38/800466838.db2.gz ICUXBQCCNBJMGB-GFCCVEGCSA-N 0 3 275.421 3.203 50 0 CGAAHN COc1ncc(CN(Cc2ccc(C)cc2)CC(C)C)cn1 ZINC000824852113 800473104 /nfs/dbraw/zinc/47/31/04/800473104.db2.gz VOYBAJPHNBKCRH-UHFFFAOYSA-N 0 3 299.418 3.452 50 0 CGAAHN CCC(CC)(CO)CN(C)Cc1ccc(F)cc1OC ZINC001506404968 937989722 /nfs/dbraw/zinc/98/97/22/937989722.db2.gz SVACJJTZUDWIKA-UHFFFAOYSA-N 0 3 283.387 3.065 50 0 CGAAHN c1c2ccccc2oc1[C@H](N[C@H]1CCOC1)C1CC1 ZINC000097016921 230386296 /nfs/dbraw/zinc/38/62/96/230386296.db2.gz DGGZQAJMRKZKSN-XJKSGUPXSA-N 0 3 257.333 3.262 50 0 CGAAHN O[C@H](CN[C@H]1CCCc2cc(F)ccc21)c1ccco1 ZINC000097033249 185155593 /nfs/dbraw/zinc/15/55/93/185155593.db2.gz AAJGXXSNWOEAMZ-LSDHHAIUSA-N 0 3 275.323 3.119 50 0 CGAAHN COCCN(C)Cc1cccc(OC2CCCC2)c1 ZINC000127114806 187283667 /nfs/dbraw/zinc/28/36/67/187283667.db2.gz YGWGUTDPLHTLGX-UHFFFAOYSA-N 0 3 263.381 3.086 50 0 CGAAHN NCc1ccc(-c2ccc(C(F)(F)F)cc2)nc1 ZINC000072233478 345407211 /nfs/dbraw/zinc/40/72/11/345407211.db2.gz NBPFVUDWNWEKRL-UHFFFAOYSA-N 0 3 252.239 3.226 50 0 CGAAHN COc1ccc(CN[C@H]2CCO[C@H]2c2ccccc2)cc1O ZINC000078988914 345627038 /nfs/dbraw/zinc/62/70/38/345627038.db2.gz REFXMWMGXXEMON-YJBOKZPZSA-N 0 3 299.370 3.021 50 0 CGAAHN OC1CCN(Cc2cc(-c3ccccc3)cs2)CC1 ZINC000095982301 345901108 /nfs/dbraw/zinc/90/11/08/345901108.db2.gz GPWZYAIBHBMFFV-UHFFFAOYSA-N 0 3 273.401 3.372 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@@H]2CCCSc3ccccc32)C1 ZINC000195558659 346273752 /nfs/dbraw/zinc/27/37/52/346273752.db2.gz VXUFWFLSMHCTLQ-GZBFAFLISA-N 0 3 275.417 3.140 50 0 CGAAHN O[C@H]1CC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 ZINC000601012554 347852206 /nfs/dbraw/zinc/85/22/06/347852206.db2.gz KZHPUOOVICRESI-ROUUACIJSA-N 0 3 267.372 3.212 50 0 CGAAHN CN(C)Cc1cccc(C(=O)Nc2ccc3c(c2)COC3)c1 ZINC000092051254 180313452 /nfs/dbraw/zinc/31/34/52/180313452.db2.gz LWWJFMFUSHKSFA-UHFFFAOYSA-N 0 3 296.370 3.031 50 0 CGAAHN C[C@H](CC(F)(F)F)NCc1ccc(-n2cccn2)cc1 ZINC000157604995 188327830 /nfs/dbraw/zinc/32/78/30/188327830.db2.gz HXZRHCCCAVMUDI-LLVKDONJSA-N 0 3 283.297 3.303 50 0 CGAAHN COc1c(Cl)cc(Cl)cc1CNC[C@@H]1CCCO1 ZINC000000360055 368348676 /nfs/dbraw/zinc/34/86/76/368348676.db2.gz SYUVCJPLLLRCOY-NSHDSACASA-N 0 3 290.190 3.271 50 0 CGAAHN C[C@@H](CN(C)C)OC(=O)c1ccc(Cl)cc1Cl ZINC000000397026 368357686 /nfs/dbraw/zinc/35/76/86/368357686.db2.gz CVCZHQBRAFHFAW-QMMMGPOBSA-N 0 3 276.163 3.100 50 0 CGAAHN CCN(CC)CC(=O)N(CC)[C@@H](C)CCCC(C)C ZINC000002168034 368448436 /nfs/dbraw/zinc/44/84/36/368448436.db2.gz WSSVAIYTPRFILW-HNNXBMFYSA-N 0 3 270.461 3.392 50 0 CGAAHN CCN(CC)CCOC(=O)Nc1cccc(C)c1C ZINC000002172139 368448743 /nfs/dbraw/zinc/44/87/43/368448743.db2.gz GNKFNYRXRSOLBG-UHFFFAOYSA-N 0 3 264.369 3.194 50 0 CGAAHN c1coc(CNC2CCN(Cc3ccccc3)CC2)c1 ZINC000002382998 368453679 /nfs/dbraw/zinc/45/36/79/368453679.db2.gz LUDPAPHRXZBKJI-UHFFFAOYSA-N 0 3 270.376 3.034 50 0 CGAAHN OCCNCc1ccccc1OCc1ccc(Cl)cc1 ZINC000002845823 368481477 /nfs/dbraw/zinc/48/14/77/368481477.db2.gz AANJUNIAPKHKBE-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN CCOC1(OCC)CCN(Cc2ccccc2)CC1 ZINC000003882870 368522444 /nfs/dbraw/zinc/52/24/44/368522444.db2.gz BIWIVGCTGYSXRF-UHFFFAOYSA-N 0 3 263.381 3.052 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1C ZINC000004173887 368535612 /nfs/dbraw/zinc/53/56/12/368535612.db2.gz UBWDAHBWWAEZLS-SJLPKXTDSA-N 0 3 299.414 3.394 50 0 CGAAHN COc1ccc(-c2ccc(CNC[C@H](C)O)o2)cc1Cl ZINC000004344243 368543865 /nfs/dbraw/zinc/54/38/65/368543865.db2.gz AWEZFGYWQMKKIQ-JTQLQIEISA-N 0 3 295.766 3.079 50 0 CGAAHN C[C@@H](CNC(=O)Nc1cccc(F)c1)N1CCC(C)CC1 ZINC000012223549 368606210 /nfs/dbraw/zinc/60/62/10/368606210.db2.gz XZVOPYDVTLYHBW-ZDUSSCGKSA-N 0 3 293.386 3.068 50 0 CGAAHN CN1CCCN(C(=O)Nc2cccc3ccccc32)CC1 ZINC000016189036 368708275 /nfs/dbraw/zinc/70/82/75/368708275.db2.gz OCVDXXDFQKQGRJ-UHFFFAOYSA-N 0 3 283.375 3.009 50 0 CGAAHN CC(C)c1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000016606074 368716829 /nfs/dbraw/zinc/71/68/29/368716829.db2.gz SKYLKYHSGNXGRX-UHFFFAOYSA-N 0 3 274.408 3.026 50 0 CGAAHN C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCC(C)CC1 ZINC000014915386 368686627 /nfs/dbraw/zinc/68/66/27/368686627.db2.gz TWQWCUKNLWRFAG-CYBMUJFWSA-N 0 3 294.826 3.077 50 0 CGAAHN COc1ccc(OC)c(CNCCc2ccccc2)c1 ZINC000019720889 368761863 /nfs/dbraw/zinc/76/18/63/368761863.db2.gz IAEIRIQVUSGNFI-UHFFFAOYSA-N 0 3 271.360 3.036 50 0 CGAAHN Cc1ccc(C)c(O[C@H](C)CNCc2ccco2)c1 ZINC000019737998 368763341 /nfs/dbraw/zinc/76/33/41/368763341.db2.gz UWECMXAXWQCTNR-CQSZACIVSA-N 0 3 259.349 3.454 50 0 CGAAHN CC[C@@H](C)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019788138 368765290 /nfs/dbraw/zinc/76/52/90/368765290.db2.gz YENWJFPWRVSWLY-CYBMUJFWSA-N 0 3 266.816 3.256 50 0 CGAAHN N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC000019841508 368771793 /nfs/dbraw/zinc/77/17/93/368771793.db2.gz ACOUQABLVLKBMO-HNNXBMFYSA-N 0 3 275.735 3.159 50 0 CGAAHN Oc1ccc([C@H]2NCCc3c4ccccc4[nH]c32)cc1 ZINC000019376169 368750715 /nfs/dbraw/zinc/75/07/15/368750715.db2.gz QENZPDLDEMHHOC-MRXNPFEDSA-N 0 3 264.328 3.109 50 0 biogenic,in-vitro CGAAHN Cc1ccc(Cl)c2sc(NCCN(C)C)nc21 ZINC000026424061 368858244 /nfs/dbraw/zinc/85/82/44/368858244.db2.gz YIZZKDFLRAXXRD-UHFFFAOYSA-N 0 3 269.801 3.232 50 0 CGAAHN Clc1cccc(CNCc2ccnc(-n3cccn3)c2)c1 ZINC000030900991 368907891 /nfs/dbraw/zinc/90/78/91/368907891.db2.gz PNWLUCBMHVOLJN-UHFFFAOYSA-N 0 3 298.777 3.211 50 0 CGAAHN CC(C)CN(Cc1ccsc1)C[C@H](O)COC(C)(C)C ZINC000036099219 369009203 /nfs/dbraw/zinc/00/92/03/369009203.db2.gz QRJIYRZSSSAWNT-HNNXBMFYSA-N 0 3 299.480 3.382 50 0 CGAAHN NC(=O)c1ccc(CN(Cc2ccco2)C2CCCC2)cc1 ZINC000048374559 369345244 /nfs/dbraw/zinc/34/52/44/369345244.db2.gz ZUJNWPCYMGONAN-UHFFFAOYSA-N 0 3 298.386 3.323 50 0 CGAAHN OCC1CCN(Cc2c(Cl)ccc3cccnc32)CC1 ZINC000052820129 369472186 /nfs/dbraw/zinc/47/21/86/369472186.db2.gz QKANWJRWYGNDBF-UHFFFAOYSA-N 0 3 290.794 3.093 50 0 CGAAHN C[C@@H](CNC(=O)c1cc2ccccc2o1)N1CCCCC1 ZINC000055932615 369523484 /nfs/dbraw/zinc/52/34/84/369523484.db2.gz RFEYABKOWIHEJT-ZDUSSCGKSA-N 0 3 286.375 3.037 50 0 CGAAHN C/C=C(\C)CN1CC[C@@H](c2cc(OC)ccc2OC)C1 ZINC000065452939 369677653 /nfs/dbraw/zinc/67/76/53/369677653.db2.gz RYLBOMBMOILHHT-BRRGFWCPSA-N 0 3 275.392 3.459 50 0 CGAAHN Fc1cccc([C@@H]2CCN(Cc3cccnc3)C2)c1 ZINC000069812347 369772645 /nfs/dbraw/zinc/77/26/45/369772645.db2.gz JJMAYSMGRGVODX-OAHLLOKOSA-N 0 3 256.324 3.210 50 0 CGAAHN c1csc(CN(CCc2ccncc2)C2CC2)c1 ZINC000069414805 369759040 /nfs/dbraw/zinc/75/90/40/369759040.db2.gz SFZSWZOZCSIBAQ-UHFFFAOYSA-N 0 3 258.390 3.350 50 0 CGAAHN C[C@@H](N[C@@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534839 369763179 /nfs/dbraw/zinc/76/31/79/369763179.db2.gz JYWGIVJNOTYUES-CXAGYDPISA-N 0 3 292.386 3.097 50 0 CGAAHN CN1CCC(Cc2noc(-c3sccc3Cl)n2)CC1 ZINC000067742410 369727689 /nfs/dbraw/zinc/72/76/89/369727689.db2.gz BBTFVKFRFLDGLB-UHFFFAOYSA-N 0 3 297.811 3.336 50 0 CGAAHN COc1ccccc1CN1CC[C@H](CNc2ccccn2)C1 ZINC000092812827 370103505 /nfs/dbraw/zinc/10/35/05/370103505.db2.gz UENOCMMTXXMQKC-OAHLLOKOSA-N 0 3 297.402 3.024 50 0 CGAAHN COc1cccc([C@H](O)CN[C@@H](C)c2ccsc2)c1 ZINC000089913468 370049938 /nfs/dbraw/zinc/04/99/38/370049938.db2.gz PDEROXNMUPNULT-XHDPSFHLSA-N 0 3 277.389 3.141 50 0 CGAAHN CCCn1nc(C)c(CN2CCC[C@H]2CSC)c1C ZINC000093760674 370155178 /nfs/dbraw/zinc/15/51/78/370155178.db2.gz DJPJPIQNQPHBFC-AWEZNQCLSA-N 0 3 281.469 3.237 50 0 CGAAHN CC[C@H](NC[C@@H](O)c1ccc(F)cc1)c1c(C)noc1C ZINC000097111186 370226196 /nfs/dbraw/zinc/22/61/96/370226196.db2.gz UXFBXLZJJWHSFP-LSDHHAIUSA-N 0 3 292.354 3.205 50 0 CGAAHN COC[C@@H]1CCCCN1Cc1cccc(SC)c1 ZINC000097773087 370254891 /nfs/dbraw/zinc/25/48/91/370254891.db2.gz IYDSJWNQFMGDLE-AWEZNQCLSA-N 0 3 265.422 3.409 50 0 CGAAHN Cc1cccc([C@H](C)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000095421124 370188778 /nfs/dbraw/zinc/18/87/78/370188778.db2.gz XKOMLUHRMNRHFF-HNNXBMFYSA-N 0 3 292.386 3.427 50 0 CGAAHN CCOC[C@H](C)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422678 370189894 /nfs/dbraw/zinc/18/98/94/370189894.db2.gz KGBUUJDQPSLBLY-TVQRCGJNSA-N 0 3 292.206 3.041 50 0 CGAAHN Cc1c(CN[C@@H](C)c2ccc3c(c2)CCC3)cnn1C ZINC000095440002 370193579 /nfs/dbraw/zinc/19/35/79/370193579.db2.gz BGYSUVLXPBOPGY-LBPRGKRZSA-N 0 3 269.392 3.068 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@@H](O)c2ccc(F)cc2)o1 ZINC000095448887 370195532 /nfs/dbraw/zinc/19/55/32/370195532.db2.gz XVJPKOXYAVBDCG-MEDUHNTESA-N 0 3 277.339 3.329 50 0 CGAAHN CCn1nc(CN[C@H]2CCCSC2)c2ccccc21 ZINC000136387002 371475518 /nfs/dbraw/zinc/47/55/18/371475518.db2.gz BJUQEFAEVUFUEE-LBPRGKRZSA-N 0 3 275.421 3.041 50 0 CGAAHN COc1ccc(C(c2ccc(OC)cc2)N(C)C)cc1 ZINC000144803777 371516194 /nfs/dbraw/zinc/51/61/94/371516194.db2.gz PUQHSURPFOSYBS-UHFFFAOYSA-N 0 3 271.360 3.355 50 0 CGAAHN O[C@@H]1CCCC[C@H]1NCc1cnc(C2CCCC2)s1 ZINC000170084449 372634066 /nfs/dbraw/zinc/63/40/66/372634066.db2.gz FROSOABDDFHCFD-ZIAGYGMSSA-N 0 3 280.437 3.194 50 0 CGAAHN O=C(Nc1ccccc1)C12CCN(CC1)Cc1ccccc12 ZINC000001891577 284365908 /nfs/dbraw/zinc/36/59/08/284365908.db2.gz ZKFZIRKJGNRVAO-UHFFFAOYSA-N 0 3 292.382 3.173 50 0 CGAAHN c1[nH]c(-c2ccccc2)nc1CN(C[C@H]1CCOC1)C1CC1 ZINC000180026464 373954794 /nfs/dbraw/zinc/95/47/94/373954794.db2.gz LXQIOHCILLTGKQ-CQSZACIVSA-N 0 3 297.402 3.078 50 0 CGAAHN c1nc(-c2ccccc2)[nH]c1CN(C[C@H]1CCOC1)C1CC1 ZINC000180026464 373954799 /nfs/dbraw/zinc/95/47/99/373954799.db2.gz LXQIOHCILLTGKQ-CQSZACIVSA-N 0 3 297.402 3.078 50 0 CGAAHN Nc1cc(CN2CC[C@H](CSc3ccccc3)C2)ccn1 ZINC000191516642 375636186 /nfs/dbraw/zinc/63/61/86/375636186.db2.gz WBNILSXIOVJCEN-HNNXBMFYSA-N 0 3 299.443 3.278 50 0 CGAAHN COC[C@@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000215139755 376146496 /nfs/dbraw/zinc/14/64/96/376146496.db2.gz FMDACJJIDYHXOI-CYBMUJFWSA-N 0 3 288.416 3.278 50 0 CGAAHN COc1c(F)cccc1CN(C)CCC[C@H]1CCCO1 ZINC000215803102 376152203 /nfs/dbraw/zinc/15/22/03/376152203.db2.gz JWBVLIUXKFSMBW-AWEZNQCLSA-N 0 3 281.371 3.225 50 0 CGAAHN Cc1nc[nH]c1CN1CCCC[C@@H]1CCc1ccccn1 ZINC000216427155 376163242 /nfs/dbraw/zinc/16/32/42/376163242.db2.gz IGCRKPBXEYZZCB-MRXNPFEDSA-N 0 3 284.407 3.100 50 0 CGAAHN Cc1cccc(Oc2ccccc2CNC(=O)C(C)(C)N)c1 ZINC000237720121 376758704 /nfs/dbraw/zinc/75/87/04/376758704.db2.gz WRBHMLNTJRNUAO-UHFFFAOYSA-N 0 3 298.386 3.141 50 0 CGAAHN Cc1cccn2cc(CN3C[C@@H]4[C@@H]5CC[C@@H](C5)[C@@H]4C3)nc12 ZINC000244734306 376795414 /nfs/dbraw/zinc/79/54/14/376795414.db2.gz NDBVUMBGEDSVKJ-MDBPOYHNSA-N 0 3 281.403 3.121 50 0 CGAAHN CN(CCc1ccccn1)[C@H](c1ccccn1)C1CC1 ZINC000244817094 376798873 /nfs/dbraw/zinc/79/88/73/376798873.db2.gz SUGUGQNBDYHJRW-KRWDZBQOSA-N 0 3 267.376 3.102 50 0 CGAAHN C[C@@H]1C[C@H](CC(=O)NC[C@H]2CCCN2C)CC(C)(C)C1 ZINC000252516685 377636317 /nfs/dbraw/zinc/63/63/17/377636317.db2.gz VXPJDAQYDUQLPP-RBSFLKMASA-N 0 3 280.456 3.049 50 0 CGAAHN CC(C)c1ccc2c(c1)[C@H](NCCN(C)C)CCCO2 ZINC000348319706 393120399 /nfs/dbraw/zinc/12/03/99/393120399.db2.gz GPSDPTAHUKQGAD-MRXNPFEDSA-N 0 3 276.424 3.175 50 0 CGAAHN Cc1cc(OCCN2CCCC2)cc(C)c1Cl ZINC000004989626 170050176 /nfs/dbraw/zinc/05/01/76/170050176.db2.gz ROMUNXMQYVHTBW-UHFFFAOYSA-N 0 3 253.773 3.431 50 0 CGAAHN Cc1ccc2cc(CNCc3ccccc3)c(=O)[nH]c2c1C ZINC000004993275 170051313 /nfs/dbraw/zinc/05/13/13/170051313.db2.gz SORBLGGVFVHXQQ-UHFFFAOYSA-N 0 3 292.382 3.435 50 0 CGAAHN Cc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1 ZINC000020130494 171019627 /nfs/dbraw/zinc/01/96/27/171019627.db2.gz FTVPHQUPQAEJAG-UHFFFAOYSA-N 0 3 288.435 3.122 50 0 CGAAHN Fc1cccc(-c2[nH]nc3c2CN(Cc2ccoc2)CC3)c1 ZINC000020514514 171231917 /nfs/dbraw/zinc/23/19/17/171231917.db2.gz QUNWNECVAGAASI-UHFFFAOYSA-N 0 3 297.333 3.367 50 0 CGAAHN CN(C)CCN(C)Cc1ccc(-c2ccccc2)cc1 ZINC000022455118 171388201 /nfs/dbraw/zinc/38/82/01/171388201.db2.gz VSNURBSKUSGANJ-UHFFFAOYSA-N 0 3 268.404 3.347 50 0 CGAAHN C[C@H](CNCc1ccc(Cl)cc1)Oc1ccccn1 ZINC000035287318 172104893 /nfs/dbraw/zinc/10/48/93/172104893.db2.gz WULZYZSAPLKOKK-GFCCVEGCSA-N 0 3 276.767 3.292 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)C1CCCC1)c1ccccc1 ZINC000039975664 174180509 /nfs/dbraw/zinc/18/05/09/174180509.db2.gz DVRWSKFOXYXXDQ-KRWDZBQOSA-N 0 3 288.435 3.376 50 0 CGAAHN CCN(CC)[C@H](CNC(=O)CC(C)C)c1ccccc1 ZINC000040615106 174353795 /nfs/dbraw/zinc/35/37/95/174353795.db2.gz GPEZGOGCIQZWGM-MRXNPFEDSA-N 0 3 276.424 3.232 50 0 CGAAHN CC(C)c1ccc(CNCCOc2ccccn2)cc1 ZINC000045945494 175387981 /nfs/dbraw/zinc/38/79/81/175387981.db2.gz NCRRLGUPOPHKCF-UHFFFAOYSA-N 0 3 270.376 3.374 50 0 CGAAHN Cc1ccc([C@H](C)N(C)Cc2ccc(C(N)=O)cc2)s1 ZINC000052132555 175532729 /nfs/dbraw/zinc/53/27/29/175532729.db2.gz FHAZAUZVBLFBHY-LBPRGKRZSA-N 0 3 288.416 3.348 50 0 CGAAHN CCN1CCCC[C@H]1CNc1nc(C)cc(C2CCC2)n1 ZINC000071765329 176261937 /nfs/dbraw/zinc/26/19/37/176261937.db2.gz ZNYABKCLIVVSEB-HNNXBMFYSA-N 0 3 288.439 3.339 50 0 CGAAHN Cc1cc(C)n(C[C@@H]2CCCN2[C@@H](C)c2cccnc2)n1 ZINC000071876096 176285611 /nfs/dbraw/zinc/28/56/11/176285611.db2.gz YGPOTJIDBWROFQ-RDJZCZTQSA-N 0 3 284.407 3.121 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccccn2)C1 ZINC000078553005 177353306 /nfs/dbraw/zinc/35/33/06/177353306.db2.gz BJEUFPWCOVJBPU-YJBOKZPZSA-N 0 3 281.403 3.007 50 0 CGAAHN COc1cccc([C@@H](C)NC[C@@H](O)c2ccc(C)cc2)c1 ZINC000084148691 416496237 /nfs/dbraw/zinc/49/62/37/416496237.db2.gz HOYOIRFBMXNQLZ-RDTXWAMCSA-N 0 3 285.387 3.388 50 0 CGAAHN Cc1cc(N2CCC[C@H](CCc3ccccc3)C2)nc(N)n1 ZINC000072481238 274705344 /nfs/dbraw/zinc/70/53/44/274705344.db2.gz QPLOYUPTZGQIAA-MRXNPFEDSA-N 0 3 296.418 3.216 50 0 CGAAHN COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(C)C2 ZINC000044138070 277394578 /nfs/dbraw/zinc/39/45/78/277394578.db2.gz UCHSAEZQABWFFN-MRXNPFEDSA-N 0 3 283.371 3.281 50 0 CGAAHN COCCNCc1ccc(OCc2ccc(C)cc2)cc1 ZINC000006743668 277535038 /nfs/dbraw/zinc/53/50/38/277535038.db2.gz UDNKBOHBQYBOOX-UHFFFAOYSA-N 0 3 285.387 3.310 50 0 CGAAHN CC[C@@H](CN1CCN(C(C)=O)CC1(C)C)c1ccccc1 ZINC000253419064 280140686 /nfs/dbraw/zinc/14/06/86/280140686.db2.gz HRYICMXIYYPAIY-INIZCTEOSA-N 0 3 288.435 3.123 50 0 CGAAHN Cc1cccnc1[C@@H](C)NC1CCN(Cc2ccco2)CC1 ZINC000534661118 328344776 /nfs/dbraw/zinc/34/47/76/328344776.db2.gz AKALYDRNYDXDOI-OAHLLOKOSA-N 0 3 299.418 3.298 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000195558643 336056106 /nfs/dbraw/zinc/05/61/06/336056106.db2.gz UNJRFYAESCTNGR-NJZAAPMLSA-N 0 3 293.794 3.080 50 0 CGAAHN OC[C@H]1CC[C@H](NCc2cccc(Cl)c2F)CC1 ZINC000252585954 527619225 /nfs/dbraw/zinc/61/92/25/527619225.db2.gz MLFOTZXHBOZLFZ-UMSPYCQHSA-N 0 3 271.763 3.120 50 0 CGAAHN CC(C)n1cncc1CN(C)CCc1ccccc1 ZINC000220627396 528619100 /nfs/dbraw/zinc/61/91/00/528619100.db2.gz LJLQEHNZRKBJNF-UHFFFAOYSA-N 0 3 257.381 3.139 50 0 CGAAHN CCN1CCC(N(C)C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000032909516 567215075 /nfs/dbraw/zinc/21/50/75/567215075.db2.gz TVWUOQNZZQTYAG-UHFFFAOYSA-N 0 3 295.814 3.288 50 0 CGAAHN c1nc2c(-c3ccccc3)[nH]nc(N3CCCCC3)c-2n1 ZINC000022109043 617934926 /nfs/dbraw/zinc/93/49/26/617934926.db2.gz FVBBVNARUNBBMS-UHFFFAOYSA-N 0 3 279.347 3.010 50 0 CGAAHN O=C(Cn1cccc1)Nc1ccccc1CN1CCCCC1 ZINC000952968161 636774695 /nfs/dbraw/zinc/77/46/95/636774695.db2.gz OLDKMZANRFLXIB-UHFFFAOYSA-N 0 3 297.402 3.113 50 0 CGAAHN COc1ncc(CN2CCC[C@@H](C(C)(C)C)CC2)cn1 ZINC001506409322 937989991 /nfs/dbraw/zinc/98/99/91/937989991.db2.gz WGKIPWMNCGYYSZ-CQSZACIVSA-N 0 3 277.412 3.133 50 0 CGAAHN CSC[C@@H](CCO)N[C@@H](C)c1ccc(Cl)cc1 ZINC000096478201 230379933 /nfs/dbraw/zinc/37/99/33/230379933.db2.gz VSDRMNIVGJBVCO-GXFFZTMASA-N 0 3 273.829 3.105 50 0 CGAAHN Cc1csc([C@H](NC2CCSCC2)C2CC2)n1 ZINC000095968557 185047765 /nfs/dbraw/zinc/04/77/65/185047765.db2.gz DERYNLOZQNQLMW-GFCCVEGCSA-N 0 3 268.451 3.388 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@@H](O)c2cccs2)nc1 ZINC000095978225 185051716 /nfs/dbraw/zinc/05/17/16/185051716.db2.gz RBXCZEIAPAHFIQ-TZMCWYRMSA-N 0 3 276.405 3.053 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@H](O)c2cccs2)nc1 ZINC000095978222 185052184 /nfs/dbraw/zinc/05/21/84/185052184.db2.gz RBXCZEIAPAHFIQ-JSGCOSHPSA-N 0 3 276.405 3.053 50 0 CGAAHN CCOC(=O)N(C)C1CCN(Cc2ccc(C)s2)CC1 ZINC000095982880 185053769 /nfs/dbraw/zinc/05/37/69/185053769.db2.gz KYFQEKNDHMYFEQ-UHFFFAOYSA-N 0 3 296.436 3.109 50 0 CGAAHN c1csc(-c2nn(Cc3ccccc3)c3c2CNCC3)c1 ZINC000082811372 178313746 /nfs/dbraw/zinc/31/37/46/178313746.db2.gz XGYHQJLLODXFPN-UHFFFAOYSA-N 0 3 295.411 3.306 50 0 CGAAHN C[C@H](NCc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000084636416 178907319 /nfs/dbraw/zinc/90/73/19/178907319.db2.gz DRSPDSGWUITQTF-LBPRGKRZSA-N 0 3 253.349 3.032 50 0 CGAAHN CN(CC(=O)Nc1ccc(F)cc1Cl)C1CCCC1 ZINC000170619322 346195689 /nfs/dbraw/zinc/19/56/89/346195689.db2.gz NETADSFKFVRDDE-UHFFFAOYSA-N 0 3 284.762 3.292 50 0 CGAAHN CC(C)CNCc1c(F)cccc1Br ZINC000085476856 179079335 /nfs/dbraw/zinc/07/93/35/179079335.db2.gz RZDDUPAGARNBIK-UHFFFAOYSA-N 0 3 260.150 3.334 50 0 CGAAHN CCc1nccn1C[C@H](C)NC1(c2ccccc2)CC1 ZINC000584885347 346721437 /nfs/dbraw/zinc/72/14/37/346721437.db2.gz WJQCIPUBURCWBA-AWEZNQCLSA-N 0 3 269.392 3.113 50 0 CGAAHN C[C@H](C(=O)NCc1ccccc1Cl)N1CCC[C@H](C)C1 ZINC000104620413 186011282 /nfs/dbraw/zinc/01/12/82/186011282.db2.gz PWMGLQXNLNSDGX-QWHCGFSZSA-N 0 3 294.826 3.077 50 0 CGAAHN C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC000108171905 186208522 /nfs/dbraw/zinc/20/85/22/186208522.db2.gz CRWLTUUPDJMNGS-OWCLPIDISA-N 0 3 288.435 3.027 50 0 CGAAHN Cc1c2ccccc2oc1C(=O)OCCN1CCCCC1 ZINC000000215820 368316841 /nfs/dbraw/zinc/31/68/41/368316841.db2.gz OWLIVQIGRFUEDC-UHFFFAOYSA-N 0 3 287.359 3.384 50 0 CGAAHN O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1 ZINC000000247186 368324840 /nfs/dbraw/zinc/32/48/40/368324840.db2.gz LDGORKJXEGHFBK-UHFFFAOYSA-N 0 3 294.398 3.081 50 0 CGAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccc(F)cc1 ZINC000000254257 368325703 /nfs/dbraw/zinc/32/57/03/368325703.db2.gz BGAUEDYZGYQIDJ-UHFFFAOYSA-N 0 3 298.361 3.213 50 0 CGAAHN Cc1cc2oc(=O)cc(CN3CCC(C)CC3)c2cc1O ZINC000002113307 368446947 /nfs/dbraw/zinc/44/69/47/368446947.db2.gz LYMSKVZKKDMFLO-UHFFFAOYSA-N 0 3 287.359 3.039 50 0 biogenic CGAAHN CCN(CC)CC(=O)N(CC)[C@H](C)CCCC(C)C ZINC000002168036 368448724 /nfs/dbraw/zinc/44/87/24/368448724.db2.gz WSSVAIYTPRFILW-OAHLLOKOSA-N 0 3 270.461 3.392 50 0 CGAAHN Clc1cccc(OCCNCc2ccco2)c1 ZINC000003462208 368508861 /nfs/dbraw/zinc/50/88/61/368508861.db2.gz OQQZIGQBTHPOPS-UHFFFAOYSA-N 0 3 251.713 3.102 50 0 CGAAHN COc1ccccc1N1CCN([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000004981241 368559912 /nfs/dbraw/zinc/55/99/12/368559912.db2.gz MEPQVZPPPLLVQK-HZPDHXFCSA-N 0 3 288.435 3.396 50 0 CGAAHN COc1ccccc1N1CCN(CCc2ccccc2)CC1 ZINC000005586934 368562670 /nfs/dbraw/zinc/56/26/70/368562670.db2.gz AMBPIKSQPHQYTQ-UHFFFAOYSA-N 0 3 296.414 3.060 50 0 CGAAHN Cc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)cc1C ZINC000004173886 368535483 /nfs/dbraw/zinc/53/54/83/368535483.db2.gz UBWDAHBWWAEZLS-WMZOPIPTSA-N 0 3 299.414 3.394 50 0 CGAAHN O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCCC1 ZINC000004279608 368540514 /nfs/dbraw/zinc/54/05/14/368540514.db2.gz IVSJAROWKRYGQL-SFHVURJKSA-N 0 3 297.398 3.189 50 0 CGAAHN Fc1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000006667551 368569530 /nfs/dbraw/zinc/56/95/30/368569530.db2.gz BSMCQFGNFCKUNK-OAHLLOKOSA-N 0 3 274.383 3.304 50 0 CGAAHN CC(C)NCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000010436293 368582349 /nfs/dbraw/zinc/58/23/49/368582349.db2.gz HZNGDVJFACRRDI-GFCCVEGCSA-N 0 3 259.349 3.498 50 0 CGAAHN CC(C)C[C@@H](CNC(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000012915792 368634623 /nfs/dbraw/zinc/63/46/23/368634623.db2.gz PPLKUVFZUHJTHU-AWEZNQCLSA-N 0 3 297.830 3.438 50 0 CGAAHN O=C(c1ccc(CN2CCCC2)cc1)N1CCCCCC1 ZINC000013679447 368661039 /nfs/dbraw/zinc/66/10/39/368661039.db2.gz MXIRMJBJPCFGHU-UHFFFAOYSA-N 0 3 286.419 3.299 50 0 CGAAHN COc1cccc(OC/C=C/CN2CCCCC2)c1 ZINC000016622773 368718257 /nfs/dbraw/zinc/71/82/57/368718257.db2.gz LXBMDIBNRWXDQE-AATRIKPKSA-N 0 3 261.365 3.116 50 0 CGAAHN COc1ccccc1CCNCc1ccccc1OC ZINC000019720821 368761581 /nfs/dbraw/zinc/76/15/81/368761581.db2.gz FSYRKJVGKRXEHZ-UHFFFAOYSA-N 0 3 271.360 3.036 50 0 CGAAHN COc1ccccc1CN(CCN(C)C)Cc1ccccc1 ZINC000019359543 368749426 /nfs/dbraw/zinc/74/94/26/368749426.db2.gz LTBNNGBMEXFNHU-UHFFFAOYSA-N 0 3 298.430 3.259 50 0 CGAAHN COc1ccc(CCNCc2ccccc2F)cc1OC ZINC000019560646 368756782 /nfs/dbraw/zinc/75/67/82/368756782.db2.gz ZZYHQLBBNRWMCR-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN COc1ccccc1CNCCc1ccccc1F ZINC000019570862 368757256 /nfs/dbraw/zinc/75/72/56/368757256.db2.gz PZMSLKVAOYKPCW-UHFFFAOYSA-N 0 3 259.324 3.167 50 0 CGAAHN Cc1cc(OCCCN2CCN(C)CC2)ccc1C(C)C ZINC000020118652 368804317 /nfs/dbraw/zinc/80/43/17/368804317.db2.gz HWQDSJGKPPARJF-UHFFFAOYSA-N 0 3 290.451 3.135 50 0 CGAAHN Cc1ccsc1CN(C)C[C@H](O)c1ccccc1 ZINC000023281031 368819623 /nfs/dbraw/zinc/81/96/23/368819623.db2.gz PBDMGOBURXCKLK-AWEZNQCLSA-N 0 3 261.390 3.222 50 0 CGAAHN OCC1CCN(Cc2cc(Cl)cc3cccnc32)CC1 ZINC000052820125 369472569 /nfs/dbraw/zinc/47/25/69/369472569.db2.gz OBLVPFFXGUBJCT-UHFFFAOYSA-N 0 3 290.794 3.093 50 0 CGAAHN Oc1ccccc1N1CCN(CCCc2ccccc2)CC1 ZINC000052873228 369473099 /nfs/dbraw/zinc/47/30/99/369473099.db2.gz GDZNIYAKHJUKGI-UHFFFAOYSA-N 0 3 296.414 3.147 50 0 CGAAHN Cc1ccnc(C[C@@H](C)N(C)Cc2cccc(C)n2)c1 ZINC000055074320 369510573 /nfs/dbraw/zinc/51/05/73/369510573.db2.gz XJXGDCUEMJGGAE-OAHLLOKOSA-N 0 3 269.392 3.156 50 0 CGAAHN C[C@H](c1n[nH]c(Cc2ccccc2)n1)N1CCC(C)CC1 ZINC000065372352 369669708 /nfs/dbraw/zinc/66/97/08/369669708.db2.gz DRFVSMHPALMADC-CQSZACIVSA-N 0 3 284.407 3.188 50 0 CGAAHN CC(C)n1cnnc1[C@H]1CCCN(Cc2ccsc2)C1 ZINC000065287945 369668367 /nfs/dbraw/zinc/66/83/67/369668367.db2.gz IRHCYPNFTORGNK-AWEZNQCLSA-N 0 3 290.436 3.300 50 0 CGAAHN CN1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000069367096 369757863 /nfs/dbraw/zinc/75/78/63/369757863.db2.gz HWVCAOZOASXLNT-LLVKDONJSA-N 0 3 277.755 3.199 50 0 CGAAHN C[C@@H](O)[C@@H]1CCCCN1Cc1ccc(F)c2cccnc12 ZINC000069630117 369765926 /nfs/dbraw/zinc/76/59/26/369765926.db2.gz NACBVWGUOURYQI-WBMJQRKESA-N 0 3 288.366 3.109 50 0 CGAAHN C[C@H]1CCCCN1CCN(C)C(=O)/C=C/c1ccccc1 ZINC000067690755 369725502 /nfs/dbraw/zinc/72/55/02/369725502.db2.gz DUDKSCHZYSBUMW-PCUGXKRQSA-N 0 3 286.419 3.033 50 0 CGAAHN CC(C)(C)c1cn2c(n1)[C@H](CNCc1ccccn1)CCC2 ZINC000089725144 370046119 /nfs/dbraw/zinc/04/61/19/370046119.db2.gz UJLRHHAAAZYBIS-AWEZNQCLSA-N 0 3 298.434 3.243 50 0 CGAAHN Cc1cc(C)n(C[C@H](C)CN[C@@H](C)c2ccco2)n1 ZINC000089594071 370043447 /nfs/dbraw/zinc/04/34/47/370043447.db2.gz VDFWCLFEXXXHRP-RISCZKNCSA-N 0 3 261.369 3.080 50 0 CGAAHN Cc1n[nH]cc1CN[C@H]1c2cccc(F)c2CC[C@@H]1C ZINC000080339809 369987297 /nfs/dbraw/zinc/98/72/97/369987297.db2.gz RVKQMYCHMFHOLF-MGPLVRAMSA-N 0 3 273.355 3.270 50 0 CGAAHN C[C@H](c1ccc(F)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000097203064 370232257 /nfs/dbraw/zinc/23/22/57/370232257.db2.gz GLTWMWNTKQQJOS-GFCCVEGCSA-N 0 3 273.355 3.489 50 0 CGAAHN Cc1ccc([C@H](C)NC[C@H](O)c2ccco2)cc1C ZINC000095419723 370186601 /nfs/dbraw/zinc/18/66/01/370186601.db2.gz YBRGSHZTSUGEIC-ZFWWWQNUSA-N 0 3 259.349 3.281 50 0 CGAAHN CCOC[C@@H](C)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000095422677 370190356 /nfs/dbraw/zinc/19/03/56/370190356.db2.gz KGBUUJDQPSLBLY-NOZJJQNGSA-N 0 3 292.206 3.041 50 0 CGAAHN Cc1cccc(CNC[C@@H]2COC3(CCCC3)O2)c1C ZINC000095459510 370198710 /nfs/dbraw/zinc/19/87/10/370198710.db2.gz QQJLTDRBKUNTCB-MRXNPFEDSA-N 0 3 275.392 3.079 50 0 CGAAHN Cc1ccncc1[C@H](C)NC[C@@H]1COC2(CCCCC2)O1 ZINC000095988201 370202198 /nfs/dbraw/zinc/20/21/98/370202198.db2.gz XBOHKELHVGUCTL-LSDHHAIUSA-N 0 3 290.407 3.116 50 0 CGAAHN CN(Cc1ccc(Br)cn1)C1CCCC1 ZINC000134536607 371347388 /nfs/dbraw/zinc/34/73/88/371347388.db2.gz OXSJMVZLOAKTCH-UHFFFAOYSA-N 0 3 269.186 3.219 50 0 CGAAHN Cc1nc(C[N@@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)cc(=O)[n-]1 ZINC000426414841 372158231 /nfs/dbraw/zinc/15/82/31/372158231.db2.gz XQHPOHVAZUEUMG-INIZCTEOSA-N 0 3 297.402 3.116 50 0 CGAAHN Cc1nc(C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)cc(=O)[n-]1 ZINC000426414841 372158234 /nfs/dbraw/zinc/15/82/34/372158234.db2.gz XQHPOHVAZUEUMG-INIZCTEOSA-N 0 3 297.402 3.116 50 0 CGAAHN C[C@H](c1ccc(-c2nc(C(F)(F)F)nn2C)cc1)N(C)C ZINC000426445444 372160238 /nfs/dbraw/zinc/16/02/38/372160238.db2.gz FFBBODNNPKCIIZ-SECBINFHSA-N 0 3 298.312 3.124 50 0 CGAAHN Fc1ccc2c(c1)OCCC[C@@H]2NCCc1cccnc1 ZINC000170073240 372634093 /nfs/dbraw/zinc/63/40/93/372634093.db2.gz OPIMIIJENFRVLK-INIZCTEOSA-N 0 3 286.350 3.267 50 0 CGAAHN COc1ccc([C@@H](C)N[C@@H]2C=C[C@H](CO)C2)c2ccccc12 ZINC000170074676 372634325 /nfs/dbraw/zinc/63/43/25/372634325.db2.gz IJQUOXCPMARBHK-QLFBSQMISA-N 0 3 297.398 3.436 50 0 CGAAHN CNCc1ccccc1NC(=O)[C@@H](C)c1cccs1 ZINC000170048083 372634549 /nfs/dbraw/zinc/63/45/49/372634549.db2.gz CYZMMILUDAKLOC-NSHDSACASA-N 0 3 274.389 3.210 50 0 CGAAHN CC[C@@]1(CO)CCCN1Cc1cnc(CC(C)C)s1 ZINC000170606953 372641434 /nfs/dbraw/zinc/64/14/34/372641434.db2.gz GGJZQOJHUMESSN-HNNXBMFYSA-N 0 3 282.453 3.079 50 0 CGAAHN COc1ccc(CCCN(C)[C@@H](C)c2cnccn2)cc1 ZINC000170596948 372641987 /nfs/dbraw/zinc/64/19/87/372641987.db2.gz PHOIPROARKMBRT-AWEZNQCLSA-N 0 3 285.391 3.111 50 0 CGAAHN CC[C@]1(CO)CCCN1Cc1cnc(CC(C)C)s1 ZINC000170606952 372642139 /nfs/dbraw/zinc/64/21/39/372642139.db2.gz GGJZQOJHUMESSN-OAHLLOKOSA-N 0 3 282.453 3.079 50 0 CGAAHN C[C@H](NCC1(c2c(F)cccc2F)CC1)c1cnn(C)c1 ZINC000090965199 541964707 /nfs/dbraw/zinc/96/47/07/541964707.db2.gz AKWBXNRGFDSDPF-NSHDSACASA-N 0 3 291.345 3.081 50 0 CGAAHN FC(F)(F)c1ccc(C2(CNCc3ncc[nH]3)CC2)cc1 ZINC000186507835 374865175 /nfs/dbraw/zinc/86/51/75/374865175.db2.gz UDSSDLLBVNYLJM-UHFFFAOYSA-N 0 3 295.308 3.250 50 0 CGAAHN COC[C@H]1CCN(Cc2cnc(-c3ccccc3)s2)C1 ZINC000215139805 376147501 /nfs/dbraw/zinc/14/75/01/376147501.db2.gz FMDACJJIDYHXOI-ZDUSSCGKSA-N 0 3 288.416 3.278 50 0 CGAAHN CCc1ccc(CN(C)CC[C@H](O)c2ccccc2)nc1 ZINC000216135829 376159759 /nfs/dbraw/zinc/15/97/59/376159759.db2.gz SYFDFYFZEKPDPL-SFHVURJKSA-N 0 3 284.403 3.200 50 0 CGAAHN Cc1noc(C)c1CN(C)[C@H](C)Cc1cc(C)ccn1 ZINC000216232463 376161559 /nfs/dbraw/zinc/16/15/59/376161559.db2.gz KZONJPJEUKBWLW-GFCCVEGCSA-N 0 3 273.380 3.058 50 0 CGAAHN CC[C@@H](Nc1ccnc2ccccc21)[C@H]1C[C@H](O)C1 ZINC000223838470 376264830 /nfs/dbraw/zinc/26/48/30/376264830.db2.gz FXCCEKPJTXIRRN-MBNYWOFBSA-N 0 3 256.349 3.196 50 0 CGAAHN Cc1ccc(N(C)C(=O)C[C@H](N)c2ccccc2)cc1 ZINC000225445346 376309654 /nfs/dbraw/zinc/30/96/54/376309654.db2.gz BMGVKKVDMCNKIE-INIZCTEOSA-N 0 3 268.360 3.048 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN2CCC(O)CC2)o1 ZINC000225532991 376314984 /nfs/dbraw/zinc/31/49/84/376314984.db2.gz BVNANDVULOEMJL-UHFFFAOYSA-N 0 3 289.350 3.351 50 0 CGAAHN Cc1noc(C)c1CNCC1(c2ccccc2C)CC1 ZINC000225534775 376315090 /nfs/dbraw/zinc/31/50/90/376315090.db2.gz LPUCAGXCMGVMQR-UHFFFAOYSA-N 0 3 270.376 3.421 50 0 CGAAHN CC[C@H](C)CN(C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000230210216 376496431 /nfs/dbraw/zinc/49/64/31/376496431.db2.gz VMEBZONBCVZZPH-HRCADAONSA-N 0 3 280.456 3.146 50 0 CGAAHN Fc1ccc([C@H]2CCCCN2CCn2cccn2)cc1 ZINC000267642868 190344006 /nfs/dbraw/zinc/34/40/06/190344006.db2.gz JGZOFAQYUASXPL-MRXNPFEDSA-N 0 3 273.355 3.249 50 0 CGAAHN Cc1cccnc1CN(C)CCCOCc1ccccc1 ZINC000281133441 195117109 /nfs/dbraw/zinc/11/71/09/195117109.db2.gz DCMGIGLRIIISNP-UHFFFAOYSA-N 0 3 284.403 3.429 50 0 CGAAHN CCNC1(c2nnnn2-c2c(C)cccc2C)CCCCC1 ZINC000022436619 391946767 /nfs/dbraw/zinc/94/67/67/391946767.db2.gz SBKXCPMRKVGNOP-UHFFFAOYSA-N 0 3 299.422 3.048 50 0 CGAAHN OCc1cccc(CNCc2ccc(OC(F)F)cc2)c1 ZINC000222118295 130788505 /nfs/dbraw/zinc/78/85/05/130788505.db2.gz UMYDXYLRCLSEQN-UHFFFAOYSA-N 0 3 293.313 3.070 50 0 CGAAHN Cc1ccc(CN2CCC3(CC2)c2ccccc2C[C@H]3O)o1 ZINC000072165049 392195559 /nfs/dbraw/zinc/19/55/59/392195559.db2.gz JNEKBFVXUPEGHA-GOSISDBHSA-N 0 3 297.398 3.039 50 0 CGAAHN CN(C)C(=O)OCCN(Cc1ccoc1)C1CCCCC1 ZINC000096012958 392245495 /nfs/dbraw/zinc/24/54/95/392245495.db2.gz DYXPOYGYGVJNCK-UHFFFAOYSA-N 0 3 294.395 3.113 50 0 CGAAHN Cc1ccc([C@](C)(O)CN[C@@H]2CCCc3occc32)o1 ZINC000192900236 392864649 /nfs/dbraw/zinc/86/46/49/392864649.db2.gz UUAQQNPGXPIJDT-CZUORRHYSA-N 0 3 275.348 3.056 50 0 CGAAHN Cn1cc([C@H]2CCN(C/C=C\c3ccc(F)cc3)C2)cn1 ZINC000255839019 393134576 /nfs/dbraw/zinc/13/45/76/393134576.db2.gz DUKJZPWCENJNAN-GWQWAINWSA-N 0 3 285.366 3.062 50 0 CGAAHN Nc1ncc(CN2CCC3(CCc4ccccc43)CC2)s1 ZINC000670473752 543157684 /nfs/dbraw/zinc/15/76/84/543157684.db2.gz RQXNDJXURLCPFG-UHFFFAOYSA-N 0 3 299.443 3.205 50 0 CGAAHN CC(C)N(C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000198664279 397664486 /nfs/dbraw/zinc/66/44/86/397664486.db2.gz QTBZFDUFDZXXRW-CQSZACIVSA-N 0 3 284.403 3.357 50 0 CGAAHN Cc1ccc(O)c(CN(Cc2ccccn2)CC(C)C)n1 ZINC000055154394 292164294 /nfs/dbraw/zinc/16/42/94/292164294.db2.gz JCSDQZUSBQGORW-UHFFFAOYSA-N 0 3 285.391 3.149 50 0 CGAAHN Cc1ccc2nccc(N3CCO[C@H](C(F)(F)F)C3)c2c1 ZINC000071711910 292398328 /nfs/dbraw/zinc/39/83/28/292398328.db2.gz WOLRBAZSMQURQQ-AWEZNQCLSA-N 0 3 296.292 3.311 50 0 CGAAHN c1ncn(C2CCN(Cc3cc4ccccc4s3)CC2)n1 ZINC000092647715 165307132 /nfs/dbraw/zinc/30/71/32/165307132.db2.gz BXJQDDDAAJWAJZ-UHFFFAOYSA-N 0 3 298.415 3.330 50 0 CGAAHN O=C(CCN1CCc2ccccc2C1)Nc1ccccc1 ZINC000004724883 170006254 /nfs/dbraw/zinc/00/62/54/170006254.db2.gz HYQLDXYGOJREDF-UHFFFAOYSA-N 0 3 280.371 3.074 50 0 CGAAHN CCc1ccccc1NC(=O)CNC1CCCCC1 ZINC000004903258 170039210 /nfs/dbraw/zinc/03/92/10/170039210.db2.gz FZFARUMRRONLGK-UHFFFAOYSA-N 0 3 260.381 3.110 50 0 CGAAHN Cc1cccc(C)c1OC[C@@H](O)CN[C@H](C)c1ccccc1 ZINC000005559754 170113598 /nfs/dbraw/zinc/11/35/98/170113598.db2.gz INACUIBQMCMRKE-AEFFLSMTSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C)c1 ZINC000005968041 170164279 /nfs/dbraw/zinc/16/42/79/170164279.db2.gz PRYBYAYBIFXKDM-SJLPKXTDSA-N 0 3 299.414 3.394 50 0 CGAAHN CCN(CC)c1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1 ZINC000008717354 170349232 /nfs/dbraw/zinc/34/92/32/170349232.db2.gz PHZHACCOOLQSKV-UHFFFAOYSA-N 0 3 287.407 3.157 50 0 CGAAHN OCC[C@@H]1CCCCN1CCc1ccc(F)cc1Cl ZINC000020450640 171207362 /nfs/dbraw/zinc/20/73/62/171207362.db2.gz JGSWXUNNSZXZBX-AWEZNQCLSA-N 0 3 285.790 3.259 50 0 CGAAHN Cc1ccc(CN(CCN(C)C)Cc2ccc(C)o2)o1 ZINC000022579077 171392267 /nfs/dbraw/zinc/39/22/67/171392267.db2.gz BOPGCEJBXORJOR-UHFFFAOYSA-N 0 3 276.380 3.053 50 0 CGAAHN c1ccc([C@H](NC[C@@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174610 172027719 /nfs/dbraw/zinc/02/77/19/172027719.db2.gz LFXVBZGVFLLDLM-ROUUACIJSA-N 0 3 282.387 3.330 50 0 CGAAHN c1ccc([C@@H](NC[C@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174619 172027829 /nfs/dbraw/zinc/02/78/29/172027829.db2.gz LFXVBZGVFLLDLM-QZTJIDSGSA-N 0 3 282.387 3.330 50 0 CGAAHN COc1cc(CN[C@@H](C)[C@H]2CCCO2)cc(Cl)c1OC ZINC000035273736 172094549 /nfs/dbraw/zinc/09/45/49/172094549.db2.gz FJQIOBOKGARUKG-GXFFZTMASA-N 0 3 299.798 3.014 50 0 CGAAHN O=C(CC1CCCCC1)Nc1cccc2c1CCNC2 ZINC000037372718 173161779 /nfs/dbraw/zinc/16/17/79/173161779.db2.gz CXDIQEZYFOFVFT-UHFFFAOYSA-N 0 3 272.392 3.241 50 0 CGAAHN CC(C)CNC(=O)CN[C@H](C)c1cccc2ccccc21 ZINC000038668731 174151718 /nfs/dbraw/zinc/15/17/18/174151718.db2.gz QOYVMSBQHQYKMX-CQSZACIVSA-N 0 3 284.403 3.263 50 0 CGAAHN COc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 ZINC000040513720 174305943 /nfs/dbraw/zinc/30/59/43/174305943.db2.gz COGGPECZDWTCLX-UHFFFAOYSA-N 0 3 297.358 3.277 50 0 CGAAHN CCn1cc(CN(C)[C@@H]2CCCc3ccccc32)cn1 ZINC000072165646 176331238 /nfs/dbraw/zinc/33/12/38/176331238.db2.gz BLLRKINQHFXBCV-QGZVFWFLSA-N 0 3 269.392 3.412 50 0 CGAAHN Clc1ccccc1OC1CN(c2ccncc2)C1 ZINC000077407692 177264020 /nfs/dbraw/zinc/26/40/20/177264020.db2.gz QGLHZYKNMHBFSM-UHFFFAOYSA-N 0 3 260.724 3.003 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2C(F)(F)F)n1 ZINC000112716541 416497908 /nfs/dbraw/zinc/49/79/08/416497908.db2.gz HGBQRXODPKZVMA-GHMZBOCLSA-N 0 3 288.313 3.306 50 0 CGAAHN CC(C)(C)C1CCC(C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000027932566 278300069 /nfs/dbraw/zinc/30/00/69/278300069.db2.gz HQKVAPBKZMMEFI-UYSNPLJNSA-N 0 3 292.467 3.146 50 0 CGAAHN Cc1ccccc1N1CCCN(Cc2cccnc2)CC1 ZINC000072149690 281346694 /nfs/dbraw/zinc/34/66/94/281346694.db2.gz ZQNPWNCQAAQZTD-UHFFFAOYSA-N 0 3 281.403 3.102 50 0 CGAAHN CC(=O)c1cccc(OCCCN2CCCCC2)c1 ZINC000002846549 326799064 /nfs/dbraw/zinc/79/90/64/326799064.db2.gz RBZPRBICRRWDIW-UHFFFAOYSA-N 0 3 261.365 3.144 50 0 CGAAHN CN(C)CCNCc1ccc(-c2ccccc2Cl)o1 ZINC000019872369 521789411 /nfs/dbraw/zinc/78/94/11/521789411.db2.gz DFHJZTJPUCLKRR-UHFFFAOYSA-N 0 3 278.783 3.251 50 0 CGAAHN COCCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000012383711 523375959 /nfs/dbraw/zinc/37/59/59/523375959.db2.gz JGYIIIWQVOCKCF-ZDUSSCGKSA-N 0 3 289.375 3.126 50 0 CGAAHN COc1cccc(CC[C@@H]2CCCN(Cc3c[nH]cn3)C2)c1 ZINC000012304262 525902935 /nfs/dbraw/zinc/90/29/35/525902935.db2.gz JBIIMGYAWFAADR-INIZCTEOSA-N 0 3 299.418 3.263 50 0 CGAAHN COc1cccc(CC[C@@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC000012304262 525902944 /nfs/dbraw/zinc/90/29/44/525902944.db2.gz JBIIMGYAWFAADR-INIZCTEOSA-N 0 3 299.418 3.263 50 0 CGAAHN CCOC(=O)[C@@H](C)[C@@H](C)NCc1cccn1CCC(C)C ZINC000170601615 527737809 /nfs/dbraw/zinc/73/78/09/527737809.db2.gz LDHXRXKGOUSNLR-LSDHHAIUSA-N 0 3 294.439 3.212 50 0 CGAAHN CCc1nccn1C[C@@H](C)N(C)Cc1ccsc1 ZINC001506416356 937989753 /nfs/dbraw/zinc/98/97/53/937989753.db2.gz ATPVIFNLIQGFTO-GFCCVEGCSA-N 0 3 263.410 3.028 50 0 CGAAHN C[C@@H](c1ncc(C(C)(C)C)o1)N1CCCN(C2CC2)CC1 ZINC000095963278 185044272 /nfs/dbraw/zinc/04/42/72/185044272.db2.gz NPERUCVYNRMBNC-ZDUSSCGKSA-N 0 3 291.439 3.203 50 0 CGAAHN Cc1nnc(-c2cccc(-c3ccc(CN)nc3)c2)s1 ZINC000096149827 185107082 /nfs/dbraw/zinc/10/70/82/185107082.db2.gz YDQZUDLDMSCJGG-UHFFFAOYSA-N 0 3 282.372 3.034 50 0 CGAAHN CCCc1ccc([C@@H](NCC(=O)NC(C)C)C(C)C)cc1 ZINC000096955858 185140480 /nfs/dbraw/zinc/14/04/80/185140480.db2.gz JRRGLDDBGACOKC-SFHVURJKSA-N 0 3 290.451 3.450 50 0 CGAAHN CC(C)c1cc(CN[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)on1 ZINC000097034531 185156767 /nfs/dbraw/zinc/15/67/67/185156767.db2.gz BVHZRRVVZPWHHA-CFVMTHIKSA-N 0 3 278.396 3.091 50 0 CGAAHN CCc1cc(CN[C@H](C)Cc2ccc(F)cc2)on1 ZINC000096478220 529528441 /nfs/dbraw/zinc/52/84/41/529528441.db2.gz CXWJVDWMQDASFS-LLVKDONJSA-N 0 3 262.328 3.097 50 0 CGAAHN O=C(OC1CCN(Cc2ccsc2)CC1)C1CCC1 ZINC000076090948 345533235 /nfs/dbraw/zinc/53/32/35/345533235.db2.gz BKKGUXDQQCXBNT-UHFFFAOYSA-N 0 3 279.405 3.056 50 0 CGAAHN CC[C@@H](C)N(Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000169677987 346192553 /nfs/dbraw/zinc/19/25/53/346192553.db2.gz BDOXPSWTKNOCFU-GDBMZVCRSA-N 0 3 299.480 3.382 50 0 CGAAHN CC[C@H](C)N(Cc1ccsc1)C[C@@H](O)COCC(C)C ZINC000169677988 346192817 /nfs/dbraw/zinc/19/28/17/346192817.db2.gz BDOXPSWTKNOCFU-GOEBONIOSA-N 0 3 299.480 3.382 50 0 CGAAHN C[C@@H]1CN(CCCc2ccc3c(c2)CCO3)C(C)(C)CO1 ZINC000170616094 346195686 /nfs/dbraw/zinc/19/56/86/346195686.db2.gz WVSJGXJWZZKMPH-CQSZACIVSA-N 0 3 289.419 3.053 50 0 CGAAHN CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000248132608 346374383 /nfs/dbraw/zinc/37/43/83/346374383.db2.gz NOQBNFYRLHFTQI-HUUCEWRRSA-N 0 3 298.386 3.132 50 0 CGAAHN c1ccc(C2(NC3CSCCSC3)CC2)cc1 ZINC000584898048 346723013 /nfs/dbraw/zinc/72/30/13/346723013.db2.gz XFDVIBFIHIAOLC-UHFFFAOYSA-N 0 3 265.447 3.114 50 0 CGAAHN Cc1occc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000106135277 186103580 /nfs/dbraw/zinc/10/35/80/186103580.db2.gz SUTLJBBMLDWEOI-CJNGLKHVSA-N 0 3 298.386 3.153 50 0 CGAAHN Cc1cccc(C)c1CN[C@H](CO)c1ccccc1 ZINC000179227574 189179347 /nfs/dbraw/zinc/17/93/47/189179347.db2.gz XYAQEINDNVIGOM-QGZVFWFLSA-N 0 3 255.361 3.127 50 0 CGAAHN CC(=O)c1ccc(N2CCN([C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000000216034 368317520 /nfs/dbraw/zinc/31/75/20/368317520.db2.gz NTYODQYQJPKUBJ-KBXCAEBGSA-N 0 3 286.419 3.200 50 0 CGAAHN OCC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000000210785 368317806 /nfs/dbraw/zinc/31/78/06/368317806.db2.gz NVOMAEBBPJWPLL-AWEZNQCLSA-N 0 3 253.773 3.077 50 0 CGAAHN COc1cc(CN2CCCCCC2)cc(OC)c1OC ZINC000000238050 368321644 /nfs/dbraw/zinc/32/16/44/368321644.db2.gz NPZYVBSVFSDDMH-UHFFFAOYSA-N 0 3 279.380 3.088 50 0 CGAAHN [O-]c1cc(Cc2ccccc2)cnc1C[NH+]1CCCCC1 ZINC000000186208 368312051 /nfs/dbraw/zinc/31/20/51/368312051.db2.gz LWCZNOISFRHDQU-UHFFFAOYSA-N 0 3 282.387 3.364 50 0 CGAAHN C[C@H](CN1CCCCC1)OC(=O)CCc1ccccc1 ZINC000000380417 368353192 /nfs/dbraw/zinc/35/31/92/368353192.db2.gz ZGFIYFUXTFLERB-OAHLLOKOSA-N 0 3 275.392 3.037 50 0 CGAAHN Clc1ccc(CSC2=NCCN2)cc1Cl ZINC000001602665 368424051 /nfs/dbraw/zinc/42/40/51/368424051.db2.gz BARIUPBFDQHVBQ-UHFFFAOYSA-N 0 3 261.177 3.186 50 0 in-vitro CGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCCC1 ZINC000002657945 368472835 /nfs/dbraw/zinc/47/28/35/368472835.db2.gz STAFVYCBOLYFHT-MRXNPFEDSA-N 0 3 291.435 3.128 50 0 CGAAHN COc1ccccc1CNCc1c[nH]c2ccccc12 ZINC000002573307 368466547 /nfs/dbraw/zinc/46/65/47/368466547.db2.gz VMSZEVXBSPOKIL-UHFFFAOYSA-N 0 3 266.344 3.466 50 0 CGAAHN CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000003154571 368494224 /nfs/dbraw/zinc/49/42/24/368494224.db2.gz ZFVBVEADHVLSRL-INIZCTEOSA-N 0 3 291.435 3.210 50 0 CGAAHN Cc1cccc(OC[C@H](O)CN[C@@H](C)c2ccccc2C)c1 ZINC000003395553 368506214 /nfs/dbraw/zinc/50/62/14/368506214.db2.gz HZLNHHAVICFFEX-DLBZAZTESA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1c([O-])ccc2c(C[NH+]3CCC(C)CC3)cc(=O)oc12 ZINC000004340536 368542896 /nfs/dbraw/zinc/54/28/96/368542896.db2.gz CUKMHXBEGRCNED-UHFFFAOYSA-N 0 3 287.359 3.039 50 0 biogenic CGAAHN CC1(C)C[C@H](N)c2cc(Br)ccc2O1 ZINC000011848963 368597551 /nfs/dbraw/zinc/59/75/51/368597551.db2.gz PXJLFYGCARIYEH-VIFPVBQESA-N 0 3 256.143 3.010 50 0 CGAAHN COc1ccc(Cc2nc(C)c([C@H](C)N)s2)cc1OC ZINC000011850343 368598689 /nfs/dbraw/zinc/59/86/89/368598689.db2.gz WDTVJHBNXXOKQS-VIFPVBQESA-N 0 3 292.404 3.079 50 0 CGAAHN N[C@H](c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000012650679 368622262 /nfs/dbraw/zinc/62/22/62/368622262.db2.gz COTBFWYVJVSILN-ZDUSSCGKSA-N 0 3 278.149 3.203 50 0 CGAAHN O=C(C[C@@H]1C=CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000013012734 368640691 /nfs/dbraw/zinc/64/06/91/368640691.db2.gz AKFCOPBALIKPEG-MRXNPFEDSA-N 0 3 298.430 3.124 50 0 CGAAHN COCCNCc1ccc(OCc2cccs2)cc1 ZINC000015356861 368694084 /nfs/dbraw/zinc/69/40/84/368694084.db2.gz MQRIALJNBNOWJQ-UHFFFAOYSA-N 0 3 277.389 3.063 50 0 CGAAHN O[C@@H](CNCc1ccccc1Cl)c1ccccc1 ZINC000016477529 368713537 /nfs/dbraw/zinc/71/35/37/368713537.db2.gz SQSICFBIMOMLFW-HNNXBMFYSA-N 0 3 261.752 3.163 50 0 CGAAHN CCNCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 ZINC000014165346 368675081 /nfs/dbraw/zinc/67/50/81/368675081.db2.gz WAHMLBAEEYCFIK-UHFFFAOYSA-N 0 3 284.359 3.335 50 0 CGAAHN Fc1ccc(CN[C@H]2COc3ccccc3C2)c(F)c1 ZINC000014977451 368687360 /nfs/dbraw/zinc/68/73/60/368687360.db2.gz TWLWOGOGJBRMCX-CQSZACIVSA-N 0 3 275.298 3.058 50 0 CGAAHN CC[C@H](C)Oc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000019737912 368763367 /nfs/dbraw/zinc/76/33/67/368763367.db2.gz BFQINCRRDWDXIZ-BBRMVZONSA-N 0 3 263.381 3.133 50 0 CGAAHN CCC(CC)N1CCN(Cc2cccc(OC)c2)CC1 ZINC000019500283 368755615 /nfs/dbraw/zinc/75/56/15/368755615.db2.gz WMBDDKISCWCKEY-UHFFFAOYSA-N 0 3 276.424 3.001 50 0 CGAAHN CN1CCCN(Cc2cccc(Cl)c2Cl)CC1 ZINC000019536609 368757146 /nfs/dbraw/zinc/75/71/46/368757146.db2.gz CLZXYEUGZXZRLB-UHFFFAOYSA-N 0 3 273.207 3.131 50 0 CGAAHN CN(CCc1ccccn1)Cc1cccc(Cl)c1 ZINC000019606628 368758213 /nfs/dbraw/zinc/75/82/13/368758213.db2.gz LKOIZWCYZLBYQO-UHFFFAOYSA-N 0 3 260.768 3.410 50 0 CGAAHN COc1ccc([C@H](N)c2ccccc2Cl)c(OC)c1 ZINC000019967691 368792560 /nfs/dbraw/zinc/79/25/60/368792560.db2.gz JDCHLYKUKUWNDY-OAHLLOKOSA-N 0 3 277.751 3.405 50 0 CGAAHN Cc1n[nH]cc1CCCNCc1ccccc1Cl ZINC000030666732 368904982 /nfs/dbraw/zinc/90/49/82/368904982.db2.gz KOHHNVMODZPUGQ-UHFFFAOYSA-N 0 3 263.772 3.094 50 0 CGAAHN C[C@@H]1CCCN(Cc2nc3ccc(Cl)cc3[nH]2)C1 ZINC000033559736 368966778 /nfs/dbraw/zinc/96/67/78/368966778.db2.gz SPGKLFIXNAGNAN-SNVBAGLBSA-N 0 3 263.772 3.448 50 0 CGAAHN CSC[C@H](C)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000042628399 369227220 /nfs/dbraw/zinc/22/72/20/369227220.db2.gz CZDBRLYWNRXTNG-ZFWWWQNUSA-N 0 3 277.433 3.333 50 0 CGAAHN O[C@H](c1ccccn1)C1CCN(Cc2cccs2)CC1 ZINC000065288642 369668308 /nfs/dbraw/zinc/66/83/08/369668308.db2.gz QKIBFTBMDLMUGK-INIZCTEOSA-N 0 3 288.416 3.089 50 0 CGAAHN C[C@@H](NCc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000066972344 369708840 /nfs/dbraw/zinc/70/88/40/369708840.db2.gz BQRHIGWYYVPRJW-DOMZBBRYSA-N 0 3 288.416 3.467 50 0 CGAAHN CCCc1nc(CNC2Cc3ccccc3C2)cs1 ZINC000065530508 369682878 /nfs/dbraw/zinc/68/28/78/369682878.db2.gz VBJILSINYVQTCR-UHFFFAOYSA-N 0 3 272.417 3.353 50 0 CGAAHN Cc1cnn(C[C@H](C)N[C@@H](C)c2ccc(F)cc2)c1 ZINC000069704320 369767967 /nfs/dbraw/zinc/76/79/67/369767967.db2.gz WAPCJYMQXUBYGV-STQMWFEESA-N 0 3 261.344 3.070 50 0 CGAAHN Cc1cnn(C[C@H](C)N[C@H](C)c2ccc(F)cc2)c1 ZINC000069704324 369768505 /nfs/dbraw/zinc/76/85/05/369768505.db2.gz WAPCJYMQXUBYGV-QWHCGFSZSA-N 0 3 261.344 3.070 50 0 CGAAHN CCn1cc(CN[C@H]2CCCO[C@@H]2c2ccc(C)cc2)cn1 ZINC000072746685 369837315 /nfs/dbraw/zinc/83/73/15/369837315.db2.gz TYVFBOLKDXOCLJ-ZWKOTPCHSA-N 0 3 299.418 3.221 50 0 CGAAHN C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000076082725 369929218 /nfs/dbraw/zinc/92/92/18/369929218.db2.gz UYCROCRPUFDCFX-BBRMVZONSA-N 0 3 290.407 3.034 50 0 CGAAHN C[C@@H](C(=O)NCCCCC(F)(F)F)N1[C@H](C)CC[C@@H]1C ZINC000089922762 370050211 /nfs/dbraw/zinc/05/02/11/370050211.db2.gz WVSNVCZQYJEMDG-TUAOUCFPSA-N 0 3 294.361 3.097 50 0 CGAAHN CCCN1CCC[C@@H]1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000089959041 370051747 /nfs/dbraw/zinc/05/17/47/370051747.db2.gz XFENTWABLFPJPT-OAHLLOKOSA-N 0 3 299.374 3.155 50 0 CGAAHN CN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@@H]1CCOC1 ZINC000093840117 370165752 /nfs/dbraw/zinc/16/57/52/370165752.db2.gz XOZNSNNPSKKIEK-JTQLQIEISA-N 0 3 291.288 3.313 50 0 CGAAHN CN(Cc1c[nH]c(CC2CCCC2)n1)CC1CCOCC1 ZINC000097099217 370224460 /nfs/dbraw/zinc/22/44/60/370224460.db2.gz LUCZCBJEVOOWBI-UHFFFAOYSA-N 0 3 291.439 3.001 50 0 CGAAHN CN(Cc1cnc(CC2CCCC2)[nH]1)CC1CCOCC1 ZINC000097099217 370224463 /nfs/dbraw/zinc/22/44/63/370224463.db2.gz LUCZCBJEVOOWBI-UHFFFAOYSA-N 0 3 291.439 3.001 50 0 CGAAHN CNc1nc(C)cc(-c2ccc([C@@H](C)N(C)C)cc2)n1 ZINC000097522362 370245782 /nfs/dbraw/zinc/24/57/82/370245782.db2.gz AXTAASOWPDFRHL-GFCCVEGCSA-N 0 3 270.380 3.116 50 0 CGAAHN CC(C)OCC[C@@H]1CCCCN1Cc1ccncc1 ZINC000095431955 370192521 /nfs/dbraw/zinc/19/25/21/370192521.db2.gz WZPVKHFYNDLDJY-INIZCTEOSA-N 0 3 262.397 3.251 50 0 CGAAHN CN(Cc1cccnc1)C1CCN(c2ccc(F)cc2)CC1 ZINC000095432171 370192764 /nfs/dbraw/zinc/19/27/64/370192764.db2.gz OLAVBHPLVZTIMS-UHFFFAOYSA-N 0 3 299.393 3.322 50 0 CGAAHN OC[C@H]1CC[C@@H](NCc2ccc(F)cc2Cl)CC1 ZINC000136334504 371474942 /nfs/dbraw/zinc/47/49/42/371474942.db2.gz CUCKYXWHIJRFTG-MJHDQNEOSA-N 0 3 271.763 3.120 50 0 CGAAHN CC[C@H](NCC1(C)OCCCO1)c1ccc(F)cc1 ZINC000170612252 372644045 /nfs/dbraw/zinc/64/40/45/372644045.db2.gz ZOLBTQGNAPSXBI-AWEZNQCLSA-N 0 3 267.344 3.020 50 0 CGAAHN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nnc(C2CCC2)o1 ZINC000075838230 541909736 /nfs/dbraw/zinc/90/97/36/541909736.db2.gz DSMDHPVUAWZQQN-XBFCOCLRSA-N 0 3 275.396 3.490 50 0 CGAAHN Cc1cc(NC[C@@H]2C[C@H](F)CN2)nc2cc3c(cc12)CCC3 ZINC000082120036 541928036 /nfs/dbraw/zinc/92/80/36/541928036.db2.gz NJLCBTZREVSWFC-GJZGRUSLSA-N 0 3 299.393 3.144 50 0 CGAAHN C[C@@H](c1cccs1)N(C)CCn1cc(Cl)cn1 ZINC000459293290 374803296 /nfs/dbraw/zinc/80/32/96/374803296.db2.gz FJGRQIYTQZDPPP-JTQLQIEISA-N 0 3 269.801 3.291 50 0 CGAAHN Cc1ncc(CN2CCC[C@H](c3ccccc3)CC2)n1C ZINC000215194800 376146889 /nfs/dbraw/zinc/14/68/89/376146889.db2.gz IRUBIADEWKNUCS-KRWDZBQOSA-N 0 3 283.419 3.498 50 0 CGAAHN CCN(Cc1cc(C(C)=O)cn1C)[C@H]1CCOC(C)(C)C1 ZINC000216198859 376160851 /nfs/dbraw/zinc/16/08/51/376160851.db2.gz FQZJLTVZCHTIGT-HNNXBMFYSA-N 0 3 292.423 3.007 50 0 CGAAHN Clc1cnc(N2CC[C@@H](N3CCCC3)C2)c(Cl)c1 ZINC000225819359 376327628 /nfs/dbraw/zinc/32/76/28/376327628.db2.gz QPEBPWBGSTUUBZ-LLVKDONJSA-N 0 3 286.206 3.063 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CNCC[C@@H](C)O)o1 ZINC000225392925 376305672 /nfs/dbraw/zinc/30/56/72/376305672.db2.gz FZJBHGMZBLSGBI-LLVKDONJSA-N 0 3 277.339 3.255 50 0 CGAAHN C[C@H]1CN([C@@H]2C=CCCC2)CCN1[C@@H]1C=CCCC1 ZINC000229689239 376470216 /nfs/dbraw/zinc/47/02/16/376470216.db2.gz WMMCZZMVJCNODN-GVDBMIGSSA-N 0 3 260.425 3.210 50 0 CGAAHN C[C@@H](c1nc(-c2cscn2)no1)N1[C@H](C)CC[C@H]1C ZINC000278747918 194135783 /nfs/dbraw/zinc/13/57/83/194135783.db2.gz QWGXLZPBLVVKRZ-BBBLOLIVSA-N 0 3 278.381 3.127 50 0 CGAAHN COc1cc2c(cc1OC)C1(CCCC1)CN[C@H]2C ZINC000000197783 169571665 /nfs/dbraw/zinc/57/16/65/169571665.db2.gz KCZUHRBFIBQTEV-NSHDSACASA-N 0 3 261.365 3.180 50 0 biogenic CGAAHN C[C@H](NCc1ccccc1)[C@H]1COc2ccccc2O1 ZINC000000174657 391908028 /nfs/dbraw/zinc/90/80/28/391908028.db2.gz YPPYOQYQJOKSGG-SUMWQHHRSA-N 0 3 269.344 3.005 50 0 CGAAHN CCC[C@H](O)CN(CCC)Cc1cccc(OC)c1OC ZINC000036097230 391974399 /nfs/dbraw/zinc/97/43/99/391974399.db2.gz IFAMTNLASXFDKY-HNNXBMFYSA-N 0 3 295.423 3.077 50 0 CGAAHN COc1ccc(C)cc1[C@H](C)NCC[S@@](=O)C(C)(C)C ZINC000096477839 392256343 /nfs/dbraw/zinc/25/63/43/392256343.db2.gz ZWIFFOHVYUTKKT-RBZFPXEDSA-N 0 3 297.464 3.201 50 0 CGAAHN Cc1cccc(-c2cccc(CNC(=O)C(C)(C)N)c2)c1 ZINC000237729233 131054231 /nfs/dbraw/zinc/05/42/31/131054231.db2.gz YYLSRPXYQVFCEZ-UHFFFAOYSA-N 0 3 282.387 3.016 50 0 CGAAHN Cc1c2ccccc2[nH]c1CN1C[C@H]2CCC[C@@H](C1)N(C)C2 ZINC000670438890 543154580 /nfs/dbraw/zinc/15/45/80/543154580.db2.gz WYMMIQIFZFNQEE-HOTGVXAUSA-N 0 3 297.446 3.392 50 0 CGAAHN Cc1nc(-c2ccc(CN(C)C)cc2)n(C(C)(C)C)n1 ZINC000670448641 543155451 /nfs/dbraw/zinc/15/54/51/543155451.db2.gz XYLLCYJIWKNCTH-UHFFFAOYSA-N 0 3 272.396 3.070 50 0 CGAAHN CC(C)CCNCC(=O)N(c1ccccc1)C(C)C ZINC000002649604 169818330 /nfs/dbraw/zinc/81/83/30/169818330.db2.gz JARYNAVFPMAHTF-UHFFFAOYSA-N 0 3 262.397 3.064 50 0 CGAAHN CC[C@H](C)c1ccccc1OCCOCCN(C)C ZINC000004913945 170040468 /nfs/dbraw/zinc/04/04/68/170040468.db2.gz BEERUAVVDSFUEP-AWEZNQCLSA-N 0 3 265.397 3.157 50 0 CGAAHN CN1C[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000005525661 170108549 /nfs/dbraw/zinc/10/85/49/170108549.db2.gz SYPUBBORRYKBCW-IAGOWNOFSA-N 0 3 265.356 3.215 50 0 CGAAHN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1C ZINC000005936994 170158576 /nfs/dbraw/zinc/15/85/76/170158576.db2.gz YUDQAURYDLVYOF-GOSISDBHSA-N 0 3 296.414 3.336 50 0 CGAAHN Cc1[nH]c2ccc(Br)cc2c(=O)c1CN(C)C ZINC000008663767 170344514 /nfs/dbraw/zinc/34/45/14/170344514.db2.gz GFWNVHFCYQSSIU-UHFFFAOYSA-N 0 3 295.180 3.073 50 0 CGAAHN O=C(NC1CCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000008777952 170355480 /nfs/dbraw/zinc/35/54/80/170355480.db2.gz WCHJREOLFDAHKE-UHFFFAOYSA-N 0 3 286.419 3.345 50 0 CGAAHN CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1Cl ZINC000009577644 170381879 /nfs/dbraw/zinc/38/18/79/170381879.db2.gz YFTFRSCEAOVZAS-UHFFFAOYSA-N 0 3 275.179 3.320 50 0 CGAAHN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCCN1 ZINC000019410907 170789596 /nfs/dbraw/zinc/78/95/96/170789596.db2.gz JTMHLXDCGFPGFI-SNVBAGLBSA-N 0 3 273.163 3.074 50 0 CGAAHN CC(C)(C)C1CCC(NCc2nnc3ccccn32)CC1 ZINC000020185285 171048181 /nfs/dbraw/zinc/04/81/81/171048181.db2.gz IKLWDEMDVWWWIX-UHFFFAOYSA-N 0 3 286.423 3.424 50 0 CGAAHN NC(=O)c1ccc(CN2CCC[C@H]2c2ccsc2)cc1 ZINC000046089449 175393182 /nfs/dbraw/zinc/39/31/82/175393182.db2.gz DNCMDEZRJNZDNC-HNNXBMFYSA-N 0 3 286.400 3.184 50 0 CGAAHN Cc1ccc(-c2nc(CCNCc3ccncc3)co2)cc1 ZINC000071857535 176278419 /nfs/dbraw/zinc/27/84/19/176278419.db2.gz XBRFLIQDIILWRO-UHFFFAOYSA-N 0 3 293.370 3.377 50 0 CGAAHN CCOCCN1CCCC[C@H]1c1cccc(F)c1 ZINC000072137258 176322883 /nfs/dbraw/zinc/32/28/83/176322883.db2.gz MASMKHSAPMVZOE-HNNXBMFYSA-N 0 3 251.345 3.389 50 0 CGAAHN Cc1nccn1CC[C@H]1CCCCN1Cc1ccncc1 ZINC000077453088 177270344 /nfs/dbraw/zinc/27/03/44/177270344.db2.gz GUSHDGIGDWDXQM-QGZVFWFLSA-N 0 3 284.407 3.031 50 0 CGAAHN COc1cccc([C@@H](C)NC[C@H](O)c2ccc(C)cc2)c1 ZINC000084148692 416495583 /nfs/dbraw/zinc/49/55/83/416495583.db2.gz HOYOIRFBMXNQLZ-KDOFPFPSSA-N 0 3 285.387 3.388 50 0 CGAAHN Cc1noc(C)c1CN1C[C@H]2[C@@H](CCN2c2ccccc2)C1 ZINC000685945171 544110769 /nfs/dbraw/zinc/11/07/69/544110769.db2.gz LMTGWBHEPMICMK-YJBOKZPZSA-N 0 3 297.402 3.002 50 0 CGAAHN FC(F)(F)C[C@H]1NCCc2c3ccccc3[nH]c21 ZINC000019958090 274906026 /nfs/dbraw/zinc/90/60/26/274906026.db2.gz MSBSOKRUKVOFIK-LLVKDONJSA-N 0 3 254.255 3.307 50 0 CGAAHN CC1(C)CNC[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000087006498 275853319 /nfs/dbraw/zinc/85/33/19/275853319.db2.gz BPWDLTKPJDXTPN-NSHDSACASA-N 0 3 259.271 3.145 50 0 CGAAHN CCCN(CCC)[C@@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000020601721 275997074 /nfs/dbraw/zinc/99/70/74/275997074.db2.gz ATMBCSVZLRKMLJ-HNNXBMFYSA-N 0 3 291.439 3.456 50 0 CGAAHN COC(C)(C)C[C@H](C)NCc1nc2cc(C)c(C)cc2[nH]1 ZINC000067982080 277459513 /nfs/dbraw/zinc/45/95/13/277459513.db2.gz KFHOIRSEBOYTIH-ZDUSSCGKSA-N 0 3 289.423 3.473 50 0 CGAAHN Fc1ccc(-c2cc(CN[C@@H]3CCCSC3)on2)cc1 ZINC000534661400 328349581 /nfs/dbraw/zinc/34/95/81/328349581.db2.gz KSLUUMNBJTVTQA-CYBMUJFWSA-N 0 3 292.379 3.466 50 0 CGAAHN Fc1ccc(OCCCCNCc2ccco2)cc1 ZINC000002288764 326796873 /nfs/dbraw/zinc/79/68/73/326796873.db2.gz GHHWREQDTDKXCF-UHFFFAOYSA-N 0 3 263.312 3.368 50 0 CGAAHN Cn1nccc1CN[C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000097371253 329527218 /nfs/dbraw/zinc/52/72/18/329527218.db2.gz BSDFQFUBWFRLSO-HOTGVXAUSA-N 0 3 269.392 3.092 50 0 CGAAHN CCOC(=O)[C@H](C)[C@@H](C)NCc1cccn1CCC(C)C ZINC000170601616 527970584 /nfs/dbraw/zinc/97/05/84/527970584.db2.gz LDHXRXKGOUSNLR-HUUCEWRRSA-N 0 3 294.439 3.212 50 0 CGAAHN Cc1ncsc1CNCCCNc1ccccc1 ZINC000083470472 566861900 /nfs/dbraw/zinc/86/19/00/566861900.db2.gz GWDMCAXJSOHYIR-UHFFFAOYSA-N 0 3 261.394 3.043 50 0 CGAAHN CC(C)C(=O)N[C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000252500015 567061081 /nfs/dbraw/zinc/06/10/81/567061081.db2.gz SLYXSMNUCMVICU-INIZCTEOSA-N 0 3 288.435 3.059 50 0 CGAAHN CCOC1CCN(Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000091677481 640717897 /nfs/dbraw/zinc/71/78/97/640717897.db2.gz MGQIOJAGOSKWCO-UHFFFAOYSA-N 0 3 289.419 3.401 50 0 CGAAHN Cc1csc([C@@H](NC2CCSCC2)C2CC2)n1 ZINC000095968558 185047503 /nfs/dbraw/zinc/04/75/03/185047503.db2.gz DERYNLOZQNQLMW-LBPRGKRZSA-N 0 3 268.451 3.388 50 0 CGAAHN C[C@@H]1[C@H](O)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 ZINC000003683223 344859711 /nfs/dbraw/zinc/85/97/11/344859711.db2.gz RUYRAUWKVSWJFK-BNEJOLLZSA-N 0 3 267.372 3.459 50 0 CGAAHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(C)c(F)c1 ZINC000075107642 345495616 /nfs/dbraw/zinc/49/56/16/345495616.db2.gz MLFJFBXZYLFJST-ZDUSSCGKSA-N 0 3 293.386 3.130 50 0 CGAAHN CCOC(=O)[C@]1(c2ccccc2)CCC=C(C)[C@@H]1N(C)C ZINC000096028031 345901681 /nfs/dbraw/zinc/90/16/81/345901681.db2.gz ACMGZYOBXCPVDH-WMZOPIPTSA-N 0 3 287.403 3.158 50 0 CGAAHN CC(C)Oc1cc(Br)ccc1[C@H](C)N ZINC000132046378 346069243 /nfs/dbraw/zinc/06/92/43/346069243.db2.gz DSXPLGRXWGQXCN-QMMMGPOBSA-N 0 3 258.159 3.256 50 0 CGAAHN CCc1nc([C@H](C)NC2CCC3(CC2)OCCO3)cs1 ZINC000155789263 346155088 /nfs/dbraw/zinc/15/50/88/346155088.db2.gz JYOUPCVYUAPVDL-NSHDSACASA-N 0 3 296.436 3.042 50 0 CGAAHN CCCCCCOc1ccc(CN(C)C[C@@H](C)O)cc1 ZINC000170595400 346194376 /nfs/dbraw/zinc/19/43/76/346194376.db2.gz SJGWTLZIWUDPRC-OAHLLOKOSA-N 0 3 279.424 3.458 50 0 CGAAHN C[C@@H](CN(C)C1CCS(=O)CC1)c1cccc(Cl)c1 ZINC000170603038 346195080 /nfs/dbraw/zinc/19/50/80/346195080.db2.gz XXXIFMWHXAEAGL-UUZUZFRQSA-N 0 3 299.867 3.286 50 0 CGAAHN CC[C@@]1(CO)CCCN(C/C=C/c2ccc(OC)cc2)C1 ZINC000091635900 180211343 /nfs/dbraw/zinc/21/13/43/180211343.db2.gz WGRBGSXNXDQCGJ-MJICGBHWSA-N 0 3 289.419 3.193 50 0 CGAAHN O[C@@H]1CCN(Cc2ccsc2)[C@@H](c2ccccc2)C1 ZINC000636440463 351761966 /nfs/dbraw/zinc/76/19/66/351761966.db2.gz FQRWPENVTWUZJJ-HZPDHXFCSA-N 0 3 273.401 3.446 50 0 CGAAHN Fc1cccc2c1OCCC[C@@H]2N[C@@H]1CCSC1 ZINC000096499650 283022262 /nfs/dbraw/zinc/02/22/62/283022262.db2.gz BFIXMAVNIGKKRQ-MFKMUULPSA-N 0 3 267.369 3.135 50 0 CGAAHN Brc1ccc(CNCc2ccncc2)cc1 ZINC000000360341 368348391 /nfs/dbraw/zinc/34/83/91/368348391.db2.gz XZLSDBMGZIVDIJ-UHFFFAOYSA-N 0 3 277.165 3.134 50 0 CGAAHN N[C@@H](c1ccccc1)c1ccc(Br)cc1 ZINC000000572828 368388606 /nfs/dbraw/zinc/38/86/06/368388606.db2.gz CUGXLVXNFZFUFF-ZDUSSCGKSA-N 0 3 262.150 3.497 50 0 CGAAHN CCN(CC)CCOC(=O)Nc1ccc(Cl)cc1 ZINC000001671720 368428526 /nfs/dbraw/zinc/42/85/26/368428526.db2.gz IGIPWMWSHSBHGY-UHFFFAOYSA-N 0 3 270.760 3.230 50 0 CGAAHN Cc1ccc2c(CN3CCC(C)CC3)cc(=O)oc2c1 ZINC000002345999 368451708 /nfs/dbraw/zinc/45/17/08/368451708.db2.gz CMOHSEXHYOLACH-UHFFFAOYSA-N 0 3 271.360 3.333 50 0 biogenic CGAAHN CN(CCC(=O)Nc1cccc(F)c1)Cc1ccccc1 ZINC000002760532 368476689 /nfs/dbraw/zinc/47/66/89/368476689.db2.gz WZBBNPIIUJKNPD-UHFFFAOYSA-N 0 3 286.350 3.286 50 0 CGAAHN Cc1ccc(-c2cccc(CN3CCCN(C)CC3)c2)o1 ZINC000219035253 376192805 /nfs/dbraw/zinc/19/28/05/376192805.db2.gz WAYSURYZIOENQA-UHFFFAOYSA-N 0 3 284.403 3.393 50 0 CGAAHN Cc1ccc(C(=O)O[C@H](C)CN2CCCCC2)cc1 ZINC000004552915 368550924 /nfs/dbraw/zinc/55/09/24/368550924.db2.gz ZEFKAOCINHDRSC-CQSZACIVSA-N 0 3 261.365 3.026 50 0 CGAAHN CC[C@H](C)N1CCN(Cc2c[nH]c3ccccc23)CC1 ZINC000019359199 368749653 /nfs/dbraw/zinc/74/96/53/368749653.db2.gz WHJLBEVOVNXEKK-AWEZNQCLSA-N 0 3 271.408 3.084 50 0 CGAAHN OCC[C@@H]1CCCCN1Cc1ccc(Cl)cc1 ZINC000023115160 368817298 /nfs/dbraw/zinc/81/72/98/368817298.db2.gz ZDSGTQBVMSPHSS-AWEZNQCLSA-N 0 3 253.773 3.077 50 0 CGAAHN CCOc1cc(CN2CCC[C@H](C)C2)ccc1OC ZINC000023281442 368820586 /nfs/dbraw/zinc/82/05/86/368820586.db2.gz GWTMSMICFDELKP-ZDUSSCGKSA-N 0 3 263.381 3.326 50 0 CGAAHN Cc1ccc([C@@H](CNC(=O)C(C)C)N2CCCCC2)cc1 ZINC000027663892 368873818 /nfs/dbraw/zinc/87/38/18/368873818.db2.gz WZQBFASNORRZLI-QGZVFWFLSA-N 0 3 288.435 3.294 50 0 CGAAHN C[C@H](N)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 ZINC000036872145 369034699 /nfs/dbraw/zinc/03/46/99/369034699.db2.gz UWHMJSSTNHZKQC-LURJTMIESA-N 0 3 256.136 3.403 50 0 CGAAHN CC(=O)Nc1ccc(CNCc2sccc2C)cc1 ZINC000048362810 369344150 /nfs/dbraw/zinc/34/41/50/369344150.db2.gz TWGWHWLIFIWBCB-UHFFFAOYSA-N 0 3 274.389 3.305 50 0 CGAAHN CC(C)CN(Cc1cnn(C)c1)Cc1ccc2c(c1)CCO2 ZINC000055167094 369512103 /nfs/dbraw/zinc/51/21/03/369512103.db2.gz SUQLJUCNSSNSBP-UHFFFAOYSA-N 0 3 299.418 3.013 50 0 CGAAHN Cc1ccc(CN(CCN(C)C)Cc2nccs2)s1 ZINC000055359603 369515058 /nfs/dbraw/zinc/51/50/58/369515058.db2.gz SQUJFKVYGWZNOZ-UHFFFAOYSA-N 0 3 295.477 3.077 50 0 CGAAHN C[C@H](NCc1cccc(O)c1)c1ccc(-n2ccnc2)cc1 ZINC000058280736 369561429 /nfs/dbraw/zinc/56/14/29/369561429.db2.gz PAZPKJIKIKVPPM-AWEZNQCLSA-N 0 3 293.370 3.429 50 0 CGAAHN Clc1cccc(CN2CCC[C@H](Cn3ccnc3)C2)c1 ZINC000065372721 369669650 /nfs/dbraw/zinc/66/96/50/369669650.db2.gz JNLKKOQNPSADFI-HNNXBMFYSA-N 0 3 289.810 3.449 50 0 CGAAHN CCC(CC)CN1CCN(c2nc3ccccc3o2)CC1 ZINC000065393884 369672785 /nfs/dbraw/zinc/67/27/85/369672785.db2.gz ZXMQWJIJIPYYSB-UHFFFAOYSA-N 0 3 287.407 3.386 50 0 CGAAHN Cc1noc(C)c1CN1CC[C@H](c2ccccc2)C1 ZINC000065541450 369682368 /nfs/dbraw/zinc/68/23/68/369682368.db2.gz XCXIINJWKAQNRU-HNNXBMFYSA-N 0 3 256.349 3.281 50 0 CGAAHN C[C@H](NCc1c[nH]nc1-c1ccccc1)[C@H](C)n1cccn1 ZINC000069368945 369758024 /nfs/dbraw/zinc/75/80/24/369758024.db2.gz QWOVXFZVHWCOLG-KBPBESRZSA-N 0 3 295.390 3.013 50 0 CGAAHN C[C@H](O)[C@@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000069703410 369768450 /nfs/dbraw/zinc/76/84/50/369768450.db2.gz PHSYIYILYOJWGI-LRDDRELGSA-N 0 3 288.366 3.109 50 0 CGAAHN CCCC(=O)NC[C@@H]1CCCN(Cc2cc(C)c(C)o2)C1 ZINC000067774093 369729027 /nfs/dbraw/zinc/72/90/27/369729027.db2.gz MNAGZCAHGVOKDR-HNNXBMFYSA-N 0 3 292.423 3.025 50 0 CGAAHN c1ccc([C@H](CN2CCCCC2)NCc2cccnc2)cc1 ZINC000075943902 369922320 /nfs/dbraw/zinc/92/23/20/369922320.db2.gz NGNLNCWMUSWJSD-IBGZPJMESA-N 0 3 295.430 3.398 50 0 CGAAHN CCS[C@H]1CC[C@H](N(C)Cc2ccncc2)C1 ZINC000076071624 369928683 /nfs/dbraw/zinc/92/86/83/369928683.db2.gz GIOBTQUXEFLFNA-KBPBESRZSA-N 0 3 250.411 3.188 50 0 CGAAHN Cc1ccc(-n2ccnc2-c2cc(CN(C)C)cs2)cn1 ZINC000082083734 369998810 /nfs/dbraw/zinc/99/88/10/369998810.db2.gz OJHLBNXDTKJQOG-UHFFFAOYSA-N 0 3 298.415 3.366 50 0 CGAAHN CCOc1cccc([C@H]2NCCc3ccccc32)c1 ZINC000083618877 370008215 /nfs/dbraw/zinc/00/82/15/370008215.db2.gz QTXHUYVFQZUGFW-QGZVFWFLSA-N 0 3 253.345 3.320 50 0 CGAAHN Cn1cccc1CN1CCC(OC2CCCCC2)CC1 ZINC000092736224 370099730 /nfs/dbraw/zinc/09/97/30/370099730.db2.gz SFXMMWHEKDROBZ-UHFFFAOYSA-N 0 3 276.424 3.339 50 0 CGAAHN CC[C@H](NC[C@@H]1Cc2ccccc2O1)c1c(C)nn(C)c1C ZINC000095419699 370186350 /nfs/dbraw/zinc/18/63/50/370186350.db2.gz LMSIKJHKZSUSSN-HOTGVXAUSA-N 0 3 299.418 3.081 50 0 CGAAHN CC[C@H](c1ccc(Br)cc1)N1CC[C@H](CO)C1 ZINC000095430706 370191070 /nfs/dbraw/zinc/19/10/70/370191070.db2.gz OOWRXTQXBIGFMF-SMDDNHRTSA-N 0 3 298.224 3.214 50 0 CGAAHN Cc1ncsc1CN[C@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000095448882 370195793 /nfs/dbraw/zinc/19/57/93/370195793.db2.gz ICISBKRPOUQCMR-YGRLFVJLSA-N 0 3 294.395 3.192 50 0 CGAAHN CC(C)N(CCN(C)C)C(=O)c1csc2ccccc12 ZINC000151961764 371658965 /nfs/dbraw/zinc/65/89/65/371658965.db2.gz SQOQBUNGLZKXKS-UHFFFAOYSA-N 0 3 290.432 3.314 50 0 CGAAHN CN(C)c1cccc([C@@H]2CCCN2CCOCC(F)F)c1 ZINC000170605207 372641960 /nfs/dbraw/zinc/64/19/60/372641960.db2.gz RCOFLORSMNOGLL-HNNXBMFYSA-N 0 3 298.377 3.171 50 0 CGAAHN CCc1ccc(CN(C)CCCc2cccnc2)nc1 ZINC000244763879 189911544 /nfs/dbraw/zinc/91/15/44/189911544.db2.gz OXBSKPIACRRYTM-UHFFFAOYSA-N 0 3 269.392 3.104 50 0 CGAAHN C/C(=C\c1ccccc1)CN1CCC[C@H](CCC(N)=O)C1 ZINC000179708644 373908004 /nfs/dbraw/zinc/90/80/04/373908004.db2.gz DFBNOGSLOXRTIC-OKACTXMXSA-N 0 3 286.419 3.067 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@@H](C)c3cccnc3)C2)n[nH]1 ZINC000076059661 541910921 /nfs/dbraw/zinc/91/09/21/541910921.db2.gz QDXQPMPUZOURIP-DZGCQCFKSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1cc([C@@H]2CCCN([C@@H](C)c3cccnc3)C2)[nH]n1 ZINC000076059661 541910926 /nfs/dbraw/zinc/91/09/26/541910926.db2.gz QDXQPMPUZOURIP-DZGCQCFKSA-N 0 3 270.380 3.054 50 0 CGAAHN Cc1nccnc1[C@H](C)N[C@H](C)Cc1ccccc1F ZINC000187813536 375100141 /nfs/dbraw/zinc/10/01/41/375100141.db2.gz NBUKIKUDOOYSES-YPMHNXCESA-N 0 3 273.355 3.206 50 0 CGAAHN Cc1ccsc1CN1CCC(Cc2noc(C)n2)CC1 ZINC000215568105 376148517 /nfs/dbraw/zinc/14/85/17/376148517.db2.gz XXKMBSOWCPNSGX-UHFFFAOYSA-N 0 3 291.420 3.203 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN2CCC[C@@H](O)C2)o1 ZINC000225532720 376314117 /nfs/dbraw/zinc/31/41/17/376314117.db2.gz XVJWADICSQKEIG-CYBMUJFWSA-N 0 3 289.350 3.351 50 0 CGAAHN Cc1cc([C@H](C)NCC(C)(C)CC(C)C)nn1C ZINC000225733483 376323208 /nfs/dbraw/zinc/32/32/08/376323208.db2.gz FYNGGIXQKGLVLA-ZDUSSCGKSA-N 0 3 251.418 3.451 50 0 CGAAHN c1cc2c(o1)CCC[C@H]2NCc1ccc2c[nH]nc2c1 ZINC000236589594 376670136 /nfs/dbraw/zinc/67/01/36/376670136.db2.gz KMGDHEPTKSETCA-CQSZACIVSA-N 0 3 267.332 3.323 50 0 CGAAHN COc1cccc([C@@H]2CCN2CCCc2cccnc2)c1 ZINC000244758140 376794995 /nfs/dbraw/zinc/79/49/95/376794995.db2.gz OTBXSZLHHSOOFK-SFHVURJKSA-N 0 3 282.387 3.470 50 0 CGAAHN Cc1occc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248041216 377260151 /nfs/dbraw/zinc/26/01/51/377260151.db2.gz SUTLJBBMLDWEOI-CZUORRHYSA-N 0 3 298.386 3.153 50 0 CGAAHN CC(C)n1cc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248714599 377385670 /nfs/dbraw/zinc/38/56/70/377385670.db2.gz KHBKKIATPQCVTG-ARLBYUKCSA-N 0 3 289.423 3.072 50 0 CGAAHN CCCN1CCC(F)(c2nc(-c3ccccc3)no2)CC1 ZINC000257180253 377793559 /nfs/dbraw/zinc/79/35/59/377793559.db2.gz DJISYPPAAZUZNU-UHFFFAOYSA-N 0 3 289.354 3.407 50 0 CGAAHN COc1cc(C)ccc1OCCNCc1ccccc1 ZINC000002823598 256857709 /nfs/dbraw/zinc/85/77/09/256857709.db2.gz JMJMLQZRKFKBHS-UHFFFAOYSA-N 0 3 271.360 3.172 50 0 CGAAHN C[C@@H](NCC1(Sc2ccccc2)CC1)c1cnn(C)c1 ZINC000096477431 533363296 /nfs/dbraw/zinc/36/32/96/533363296.db2.gz PFCSFYMZSBBJNQ-CYBMUJFWSA-N 0 3 287.432 3.396 50 0 CGAAHN COc1cccc(C2CCN(C[C@H](O)C(C)C)CC2)c1F ZINC000366587382 533442370 /nfs/dbraw/zinc/44/23/70/533442370.db2.gz VIYYMHKDNPZTSN-HNNXBMFYSA-N 0 3 295.398 3.031 50 0 CGAAHN CN(Cc1cc2ccccc2s1)C[C@@H]1CCC(=O)O1 ZINC000670449511 543155756 /nfs/dbraw/zinc/15/57/56/543155756.db2.gz DYIHZNYARFWDGS-LBPRGKRZSA-N 0 3 275.373 3.039 50 0 CGAAHN O=C(Nc1ccc2c(c1)CNCC2)c1ccccc1Cl ZINC000070978855 397639505 /nfs/dbraw/zinc/63/95/05/397639505.db2.gz VJLQYXQOOFMBGU-UHFFFAOYSA-N 0 3 286.762 3.238 50 0 CGAAHN CCOc1ccc(Cl)cc1CNC[C@H]1CCCO1 ZINC000004488530 169971690 /nfs/dbraw/zinc/97/16/90/169971690.db2.gz BBPXUZVSPYKSTK-CYBMUJFWSA-N 0 3 269.772 3.007 50 0 CGAAHN Clc1ccc(OCCN2CCCC2)cc1Cl ZINC000004845577 170029435 /nfs/dbraw/zinc/02/94/35/170029435.db2.gz NZNPXANSBXBMAX-UHFFFAOYSA-N 0 3 260.164 3.468 50 0 CGAAHN CC[C@@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942878 170043028 /nfs/dbraw/zinc/04/30/28/170043028.db2.gz RUYYDWPPSUJXDV-ZDUSSCGKSA-N 0 3 279.767 3.461 50 0 CGAAHN C[C@@H](O)CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942967 170043478 /nfs/dbraw/zinc/04/34/78/170043478.db2.gz JGIOORNBPKXPNW-SECBINFHSA-N 0 3 283.730 3.210 50 0 CGAAHN CCCCN(C)Cc1c(C)[nH]c2ccccc2c1=O ZINC000008661052 170344383 /nfs/dbraw/zinc/34/43/83/170344383.db2.gz AFBZANDQPMWVRQ-UHFFFAOYSA-N 0 3 258.365 3.481 50 0 biogenic CGAAHN Fc1ccc([C@@H]2CNC[C@H](c3ccccc3)O2)cc1 ZINC000035285268 172103296 /nfs/dbraw/zinc/10/32/96/172103296.db2.gz ARMWCMRIECSWLI-CVEARBPZSA-N 0 3 257.308 3.228 50 0 CGAAHN CCN[C@@H](c1cccnc1)c1ccc2c(c1)CCC2 ZINC000035551397 172258469 /nfs/dbraw/zinc/25/84/69/172258469.db2.gz GLJGVOUSCXFWPM-QGZVFWFLSA-N 0 3 252.361 3.269 50 0 CGAAHN O=C(NCCN1CCCCCC1)c1ccc(Cl)s1 ZINC000040074563 174187175 /nfs/dbraw/zinc/18/71/75/174187175.db2.gz NXTWGRBNKXHOIL-UHFFFAOYSA-N 0 3 286.828 3.007 50 0 CGAAHN Cc1csc(SCC[C@@H]2CCCCN2C)n1 ZINC000040159252 174195675 /nfs/dbraw/zinc/19/56/75/174195675.db2.gz CCLAQHJEULBVEF-NSHDSACASA-N 0 3 256.440 3.418 50 0 CGAAHN C[C@@H](NCc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000058163312 175609348 /nfs/dbraw/zinc/60/93/48/175609348.db2.gz BIVRYKMNSYIJCI-GFCCVEGCSA-N 0 3 288.778 3.457 50 0 CGAAHN Oc1cc(-c2cccc(Cl)c2)cc2c1OCCNC2 ZINC000067872931 275060427 /nfs/dbraw/zinc/06/04/27/275060427.db2.gz YYRFRDBMEPSUCA-UHFFFAOYSA-N 0 3 275.735 3.195 50 0 CGAAHN Brc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1 ZINC000000210081 275372548 /nfs/dbraw/zinc/37/25/48/275372548.db2.gz IUGGYBLSCOVAQM-GFCCVEGCSA-N 0 3 291.192 3.384 50 0 biogenic CGAAHN CC[C@@H](NC1CCCCCC1)c1ncnn1CC ZINC000534574487 328309473 /nfs/dbraw/zinc/30/94/73/328309473.db2.gz JFBAMLVLVASMIJ-CYBMUJFWSA-N 0 3 250.390 3.062 50 0 CGAAHN CC[C@H](NC1CCN(Cc2ccco2)CC1)c1ccccn1 ZINC000534589093 328317371 /nfs/dbraw/zinc/31/73/71/328317371.db2.gz IMXALGAWDATVSU-KRWDZBQOSA-N 0 3 299.418 3.380 50 0 CGAAHN CCCc1nc(C)c(CN[C@@H]2CCCSC2)s1 ZINC000534644786 328330384 /nfs/dbraw/zinc/33/03/84/328330384.db2.gz MGVDPCSVGJKOEW-LLVKDONJSA-N 0 3 270.467 3.389 50 0 CGAAHN C[C@H](NCc1ccncc1F)[C@H](c1ccccc1)N(C)C ZINC000449251957 533936842 /nfs/dbraw/zinc/93/68/42/533936842.db2.gz SWWDTVMCMMLUSP-SUMWQHHRSA-N 0 3 287.382 3.002 50 0 CGAAHN CCOC1CCN(CCOc2ccc(SC)cc2)CC1 ZINC000096441383 528532902 /nfs/dbraw/zinc/53/29/02/528532902.db2.gz IVQCNFLDIZLCPB-UHFFFAOYSA-N 0 3 295.448 3.288 50 0 CGAAHN CCCNC(=O)c1cccc(CN[C@@H](C)C2(Cl)CC2)c1 ZINC000863983305 629720958 /nfs/dbraw/zinc/72/09/58/629720958.db2.gz FPWFXLPSSYIDTL-LBPRGKRZSA-N 0 3 294.826 3.076 50 0 CGAAHN Cc1cc(C)n2ncc(CN[C@H](C)C3=CCCCC3)c2n1 ZINC000952990959 636777180 /nfs/dbraw/zinc/77/71/80/636777180.db2.gz KMZZRQTYFKJXIC-CQSZACIVSA-N 0 3 284.407 3.325 50 0 CGAAHN C[C@H](NC[C@H](CCO)c1ccccc1)c1ccco1 ZINC000095968323 185046640 /nfs/dbraw/zinc/04/66/40/185046640.db2.gz HXKKLJSLPCJYGV-ZFWWWQNUSA-N 0 3 259.349 3.096 50 0 CGAAHN C[C@@H](NCCCO[C@@H]1CCOC1)c1cc2ccccc2o1 ZINC000095969287 185048182 /nfs/dbraw/zinc/04/81/82/185048182.db2.gz JXVOGVSWFKZSQG-UKRRQHHQSA-N 0 3 289.375 3.279 50 0 CGAAHN Cc1ccc(CN[C@H](C)C[C@H](O)c2cccs2)nc1 ZINC000095978223 185052103 /nfs/dbraw/zinc/05/21/03/185052103.db2.gz RBXCZEIAPAHFIQ-OCCSQVGLSA-N 0 3 276.405 3.053 50 0 CGAAHN Cc1ccc([C@H]2CCCCN2CCn2cccn2)o1 ZINC000124755065 187152611 /nfs/dbraw/zinc/15/26/11/187152611.db2.gz CTWKIFORNFHDOC-CQSZACIVSA-N 0 3 259.353 3.012 50 0 CGAAHN CCc1ccc([C@H](NCC(=O)NC(C)(C)C)C(C)C)cc1 ZINC000096955929 185140325 /nfs/dbraw/zinc/14/03/25/185140325.db2.gz OEYZIFPQARHAQD-QGZVFWFLSA-N 0 3 290.451 3.450 50 0 CGAAHN Cc1ccc(CNC[C@@H]2CCCO2)c(Br)c1 ZINC000125917969 187204721 /nfs/dbraw/zinc/20/47/21/187204721.db2.gz IZYAYNHASGGCAC-LBPRGKRZSA-N 0 3 284.197 3.026 50 0 CGAAHN Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C(C)(C)C ZINC000043604327 345002596 /nfs/dbraw/zinc/00/25/96/345002596.db2.gz GEXNGOWIYXVINF-GDBMZVCRSA-N 0 3 286.419 3.175 50 0 CGAAHN C[C@H]1CN(CCCc2ccc3c(c2)CCO3)C(C)(C)CO1 ZINC000170616095 346195477 /nfs/dbraw/zinc/19/54/77/346195477.db2.gz WVSJGXJWZZKMPH-AWEZNQCLSA-N 0 3 289.419 3.053 50 0 CGAAHN CC(=O)NC1CCN(C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000187081835 346259969 /nfs/dbraw/zinc/25/99/69/346259969.db2.gz XMIPUDDXMAUXGV-LBPRGKRZSA-N 0 3 294.826 3.044 50 0 CGAAHN Cc1nc(CN[C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c(C)s1 ZINC000245339370 346353001 /nfs/dbraw/zinc/35/30/01/346353001.db2.gz SGZQGEBNKIBDOQ-BPLDGKMQSA-N 0 3 292.448 3.197 50 0 CGAAHN Clc1cnc(N2CC[C@H](N3CCCC3)C2)c(Cl)c1 ZINC000225819337 282542218 /nfs/dbraw/zinc/54/22/18/282542218.db2.gz QPEBPWBGSTUUBZ-NSHDSACASA-N 0 3 286.206 3.063 50 0 CGAAHN Cc1occc1C(=O)Nc1cc(C)cc(CN(C)C)c1 ZINC000089585427 179824802 /nfs/dbraw/zinc/82/48/02/179824802.db2.gz OOIXWOCXRDPMQQ-UHFFFAOYSA-N 0 3 272.348 3.210 50 0 CGAAHN Clc1ccc(CSC2=NCCN2)c(Cl)c1 ZINC000001994448 368444042 /nfs/dbraw/zinc/44/40/42/368444042.db2.gz WVQKHUPKDYYVOK-UHFFFAOYSA-N 0 3 261.177 3.186 50 0 CGAAHN Cc1cccc(C(=O)NC[C@H](c2ccccc2)N(C)C)c1 ZINC000003306263 368501751 /nfs/dbraw/zinc/50/17/51/368501751.db2.gz YBPZGFDMMKGDBH-QGZVFWFLSA-N 0 3 282.387 3.028 50 0 CGAAHN COc1ccccc1NC(=O)CCN(C)Cc1ccccc1 ZINC000002784487 368478477 /nfs/dbraw/zinc/47/84/77/368478477.db2.gz BIALCXHECCVXBO-UHFFFAOYSA-N 0 3 298.386 3.156 50 0 CGAAHN CC(C)(C)OC(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000004203038 368536311 /nfs/dbraw/zinc/53/63/11/368536311.db2.gz MHRKPCRXBAHJGS-HNNXBMFYSA-N 0 3 290.407 3.033 50 0 CGAAHN COc1ccc(Cc2nc(C)c([C@@H](C)N)s2)cc1OC ZINC000011850342 368598527 /nfs/dbraw/zinc/59/85/27/368598527.db2.gz WDTVJHBNXXOKQS-SECBINFHSA-N 0 3 292.404 3.079 50 0 CGAAHN CCC[C@@H](NCC(=O)NCc1ccco1)c1ccccc1 ZINC000016695405 368719462 /nfs/dbraw/zinc/71/94/62/368719462.db2.gz VJOMFULPVUNHIM-MRXNPFEDSA-N 0 3 286.375 3.027 50 0 CGAAHN CC(C)c1ccc([C@@H](CN)NC(=O)OC(C)(C)C)cc1 ZINC000019682510 368759842 /nfs/dbraw/zinc/75/98/42/368759842.db2.gz OYCVEBQMDGSXGY-CQSZACIVSA-N 0 3 278.396 3.335 50 0 CGAAHN CC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1cccs1 ZINC000027368545 368871288 /nfs/dbraw/zinc/87/12/88/368871288.db2.gz YSPAPRGAOCEECR-OAHLLOKOSA-N 0 3 288.416 3.334 50 0 CGAAHN O=C(C[C@H]1C=CCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000032911484 368952385 /nfs/dbraw/zinc/95/23/85/368952385.db2.gz LMRFKEOEDQVXBQ-WMZOPIPTSA-N 0 3 298.430 3.124 50 0 CGAAHN COc1ccc2[nH]c(C)c(CCNCc3ccccn3)c2c1 ZINC000036657778 369024581 /nfs/dbraw/zinc/02/45/81/369024581.db2.gz OHRTZEFKQFYIFF-UHFFFAOYSA-N 0 3 295.386 3.212 50 0 CGAAHN Cc1ccc(CNCc2c[nH]nc2-c2cccs2)cn1 ZINC000047826075 369328685 /nfs/dbraw/zinc/32/86/85/369328685.db2.gz PDYKKNPCNODPNW-UHFFFAOYSA-N 0 3 284.388 3.131 50 0 CGAAHN Cc1noc(C2CCN(CCCc3ccccc3)CC2)n1 ZINC000054678023 369504501 /nfs/dbraw/zinc/50/45/01/369504501.db2.gz SRTOXPXADLYNCC-UHFFFAOYSA-N 0 3 285.391 3.190 50 0 CGAAHN Cc1ccnc(C[C@H](C)N(C)Cc2cccc3c2OCO3)c1 ZINC000055281164 369513948 /nfs/dbraw/zinc/51/39/48/369513948.db2.gz QVEWDHAPFWIJAC-AWEZNQCLSA-N 0 3 298.386 3.182 50 0 CGAAHN O=C(Nc1ccccc1)NC1CCN([C@@H]2C=CCCC2)CC1 ZINC000058427930 369568989 /nfs/dbraw/zinc/56/89/89/369568989.db2.gz RQJUORFMFHHXIL-QGZVFWFLSA-N 0 3 299.418 3.381 50 0 CGAAHN CN(C)CCOc1cc(Br)ccc1Cl ZINC000065337355 369667659 /nfs/dbraw/zinc/66/76/59/369667659.db2.gz BKRNSKYGOCWZIK-UHFFFAOYSA-N 0 3 278.577 3.043 50 0 CGAAHN C[C@@H](Cn1cccn1)NCc1csc2c1CCCC2 ZINC000067974940 369738781 /nfs/dbraw/zinc/73/87/81/369738781.db2.gz BUKGJYZJUZJKAM-LBPRGKRZSA-N 0 3 275.421 3.002 50 0 CGAAHN Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000069493287 369761738 /nfs/dbraw/zinc/76/17/38/369761738.db2.gz WMLGHIJLUAFCTP-RYUDHWBXSA-N 0 3 279.334 3.209 50 0 CGAAHN Cc1nc[nH]c1CN1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000067894762 369735405 /nfs/dbraw/zinc/73/54/05/369735405.db2.gz SWJOLOJJQABUGF-ZDUSSCGKSA-N 0 3 296.374 3.239 50 0 CGAAHN OCCNCc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000072712958 369834838 /nfs/dbraw/zinc/83/48/38/369834838.db2.gz OFRVFRGNOJRDRV-UHFFFAOYSA-N 0 3 286.158 3.335 50 0 CGAAHN CCn1cc(CN[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cn1 ZINC000072746682 369837229 /nfs/dbraw/zinc/83/72/29/369837229.db2.gz TYVFBOLKDXOCLJ-QZTJIDSGSA-N 0 3 299.418 3.221 50 0 CGAAHN CCS[C@@H]1CC[C@H](N(C)Cc2cccnc2)C1 ZINC000076067457 369927123 /nfs/dbraw/zinc/92/71/23/369927123.db2.gz DBQYULHFTADJIG-UONOGXRCSA-N 0 3 250.411 3.188 50 0 CGAAHN CCN(C)C(C)(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000089960832 370053949 /nfs/dbraw/zinc/05/39/49/370053949.db2.gz LLSZFFOKGAGKCT-UHFFFAOYSA-N 0 3 262.397 3.479 50 0 CGAAHN c1cn(CC2CCC2)c([C@H]2CCCN(c3ccncc3)C2)n1 ZINC000095359859 370179210 /nfs/dbraw/zinc/17/92/10/370179210.db2.gz MSOYSEWGMRJLEA-INIZCTEOSA-N 0 3 296.418 3.462 50 0 CGAAHN Cc1nnc(CN[C@@H](C)[C@H](C)c2ccccc2)n1C1CC1 ZINC000097110010 370225978 /nfs/dbraw/zinc/22/59/78/370225978.db2.gz XVPMPDGTNJZDNM-STQMWFEESA-N 0 3 284.407 3.203 50 0 CGAAHN C[C@@H](c1ccc(F)cc1)N1CCC(c2cn[nH]c2)CC1 ZINC000097203062 370232316 /nfs/dbraw/zinc/23/23/16/370232316.db2.gz GLTWMWNTKQQJOS-LBPRGKRZSA-N 0 3 273.355 3.489 50 0 CGAAHN CCc1ccccc1NC(=O)CN[C@H]1CCCC1(C)C ZINC000097230596 370235647 /nfs/dbraw/zinc/23/56/47/370235647.db2.gz QJBUBNFTNOQOJF-HNNXBMFYSA-N 0 3 274.408 3.356 50 0 CGAAHN Cc1nc(CN2CCC[C@H](c3ccccc3)C2)c[nH]1 ZINC000097553371 370245119 /nfs/dbraw/zinc/24/51/19/370245119.db2.gz QKWWQGQPBFUCCH-HNNXBMFYSA-N 0 3 255.365 3.098 50 0 CGAAHN Cc1cc(C(=O)N(C)[C@H]2CCN(C)C2)c(-c2ccccc2)o1 ZINC000097572212 370247171 /nfs/dbraw/zinc/24/71/71/370247171.db2.gz QWQNMZBRJMDRTN-HNNXBMFYSA-N 0 3 298.386 3.031 50 0 CGAAHN CC(C)NC(=O)[C@@H]1CCC[C@H](N[C@@H](C)c2ccco2)C1 ZINC000095422576 370189841 /nfs/dbraw/zinc/18/98/41/370189841.db2.gz NTZRUHQFHQAWEP-MJBXVCDLSA-N 0 3 278.396 3.014 50 0 CGAAHN COCc1cccc(CN(C)[C@H](C)CSC)c1 ZINC000095432393 370192966 /nfs/dbraw/zinc/19/29/66/370192966.db2.gz AEMWABDAKDRWPO-GFCCVEGCSA-N 0 3 253.411 3.016 50 0 CGAAHN CC1(C)CN(c2ccnc(CO)c2)C[C@H]1c1ccccc1 ZINC000426474485 372159800 /nfs/dbraw/zinc/15/98/00/372159800.db2.gz YYIVGSZKUZCBAE-KRWDZBQOSA-N 0 3 282.387 3.204 50 0 CGAAHN C[C@@H](c1ccc(-c2cc(=O)[n-]cn2)cc1)[NH+]1CCCC1 ZINC000426623349 372166110 /nfs/dbraw/zinc/16/61/10/372166110.db2.gz RLQOBPZAEPWDQM-LBPRGKRZSA-N 0 3 269.348 3.006 50 0 CGAAHN CC(C)[C@@H](NC[C@H](C)O)c1ccc(Cl)cc1F ZINC000170073202 372634504 /nfs/dbraw/zinc/63/45/04/372634504.db2.gz GJKJGKPHHRXXPV-TVQRCGJNSA-N 0 3 259.752 3.147 50 0 CGAAHN CC(C)(C)OC[C@H](O)CN1CCC(c2ccsc2)CC1 ZINC000186916973 374937959 /nfs/dbraw/zinc/93/79/59/374937959.db2.gz FHQBIMWRKPABJL-OAHLLOKOSA-N 0 3 297.464 3.104 50 0 CGAAHN CC[C@H](NCc1ccc(Br)o1)[C@@H]1CCCO1 ZINC000191486460 375632924 /nfs/dbraw/zinc/63/29/24/375632924.db2.gz OSUQLHSUGOLRDF-QWRGUYRKSA-N 0 3 288.185 3.089 50 0 CGAAHN CCOC(=O)c1csc(C2CCN([C@H](C)CC)CC2)n1 ZINC000192848987 375794175 /nfs/dbraw/zinc/79/41/75/375794175.db2.gz PLLNKRMDJHQLAW-LLVKDONJSA-N 0 3 296.436 3.298 50 0 CGAAHN Cc1nnc([C@H](C)SCCN(C)Cc2ccccc2)o1 ZINC000193621787 375900469 /nfs/dbraw/zinc/90/04/69/375900469.db2.gz WFVZZPHKCPIXDU-LBPRGKRZSA-N 0 3 291.420 3.304 50 0 CGAAHN Clc1ccc([C@@H]2CCCN(Cc3c[nH]cn3)C2)cc1 ZINC000216037929 376156527 /nfs/dbraw/zinc/15/65/27/376156527.db2.gz HMGOJZUQZHJDJB-CYBMUJFWSA-N 0 3 275.783 3.443 50 0 CGAAHN Clc1ccc([C@@H]2CCCN(Cc3cnc[nH]3)C2)cc1 ZINC000216037929 376156530 /nfs/dbraw/zinc/15/65/30/376156530.db2.gz HMGOJZUQZHJDJB-CYBMUJFWSA-N 0 3 275.783 3.443 50 0 CGAAHN CCOc1cccc(CN(C)CC[C@H]2CCCCO2)c1 ZINC000216327442 376161498 /nfs/dbraw/zinc/16/14/98/376161498.db2.gz WSZMIXQAOXDFKC-MRXNPFEDSA-N 0 3 277.408 3.476 50 0 CGAAHN CCc1ccc(CNCc2ccc(N(C)CC)nc2)s1 ZINC000252487360 377630259 /nfs/dbraw/zinc/63/02/59/377630259.db2.gz HVDQEVCSBMJFJQ-UHFFFAOYSA-N 0 3 289.448 3.451 50 0 CGAAHN C[C@@H]1C[C@@H](CC(=O)NC[C@H]2CCCN2C)CC(C)(C)C1 ZINC000252516684 377636182 /nfs/dbraw/zinc/63/61/82/377636182.db2.gz VXPJDAQYDUQLPP-QLFBSQMISA-N 0 3 280.456 3.049 50 0 CGAAHN COc1c(Br)cc(Cl)cc1[C@H](C)N ZINC000019967845 391937098 /nfs/dbraw/zinc/93/70/98/391937098.db2.gz XABWPUBZANXIIC-YFKPBYRVSA-N 0 3 264.550 3.131 50 0 CGAAHN NC[C@H](c1ccc(Cl)cc1)N1CCc2sccc2C1 ZINC000022168347 391944700 /nfs/dbraw/zinc/94/47/00/391944700.db2.gz RVVLOQAOXHQBNA-CQSZACIVSA-N 0 3 292.835 3.460 50 0 CGAAHN COC(=O)c1cccc(CN(C)CCc2ccccc2)c1 ZINC000051998266 392074561 /nfs/dbraw/zinc/07/45/61/392074561.db2.gz PRQWADRFPBGPET-UHFFFAOYSA-N 0 3 283.371 3.148 50 0 CGAAHN Cc1n[nH]cc1CN[C@@H]1c2cccc(F)c2CC[C@@H]1C ZINC000080339806 392221939 /nfs/dbraw/zinc/22/19/39/392221939.db2.gz RVKQMYCHMFHOLF-QFYYESIMSA-N 0 3 273.355 3.270 50 0 CGAAHN COc1cccc([C@H]2C[C@H](C)CN2Cc2cnn(C)c2)c1 ZINC000328587290 392676246 /nfs/dbraw/zinc/67/62/46/392676246.db2.gz VYHBPWSGRZIAMS-SUMWQHHRSA-N 0 3 285.391 3.012 50 0 CGAAHN CC(C)Oc1ccc([C@@H]2CCC[C@H]2NCC(N)=O)cc1 ZINC000328588588 392676308 /nfs/dbraw/zinc/67/63/08/392676308.db2.gz JKDZYZIJBQNIIF-LSDHHAIUSA-N 0 3 276.380 3.235 50 0 CGAAHN O[C@@H]1CCN(Cc2ccc(C3CCCCC3)s2)C1 ZINC000216497996 392990786 /nfs/dbraw/zinc/99/07/86/392990786.db2.gz KVBAAXIVKRWRMF-CYBMUJFWSA-N 0 3 265.422 3.362 50 0 CGAAHN C[C@H](Cn1cccn1)NC1(c2ccc(Cl)cc2)CC1 ZINC000443100517 393743795 /nfs/dbraw/zinc/74/37/95/393743795.db2.gz FNUYUOQBJYJOGQ-GFCCVEGCSA-N 0 3 275.783 3.204 50 0 CGAAHN Cc1nccn1C[C@H]1CCCN(Cc2ccsc2)C1 ZINC000670438875 543154455 /nfs/dbraw/zinc/15/44/55/543154455.db2.gz OFJWARLVLLJWTM-AWEZNQCLSA-N 0 3 275.421 3.165 50 0 CGAAHN CCc1ccc(CN2CCC[C@H](Cn3ccnc3C)C2)nc1 ZINC000670459025 543156941 /nfs/dbraw/zinc/15/69/41/543156941.db2.gz FBVPBCCYMCERSJ-KRWDZBQOSA-N 0 3 298.434 3.061 50 0 CGAAHN COc1cccc(OC)c1OCCN1C[C@@H](C)C[C@H](C)C1 ZINC000004837280 170026831 /nfs/dbraw/zinc/02/68/31/170026831.db2.gz SAPQUJLBCNFTLQ-KBPBESRZSA-N 0 3 293.407 3.061 50 0 CGAAHN O=C(CCN1CCCCC1)c1cc2ccccc2o1 ZINC000005669471 170126031 /nfs/dbraw/zinc/12/60/31/170126031.db2.gz IRADBFAYZCRZAP-UHFFFAOYSA-N 0 3 257.333 3.492 50 0 CGAAHN CCC[C@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000039975622 174180251 /nfs/dbraw/zinc/18/02/51/174180251.db2.gz UYOCXFLNXXFTNX-IRXDYDNUSA-N 0 3 288.435 3.171 50 0 CGAAHN CCC[C@H](C(=O)NC[C@H]1CCCN1CC)c1ccccc1 ZINC000039975624 174180655 /nfs/dbraw/zinc/18/06/55/174180655.db2.gz UYOCXFLNXXFTNX-SJORKVTESA-N 0 3 288.435 3.171 50 0 CGAAHN Cc1ccc(C(=O)Nc2ccccc2CN2CCCC2)cn1 ZINC000040090889 174189417 /nfs/dbraw/zinc/18/94/17/174189417.db2.gz MQGZNSIOYNIUQW-UHFFFAOYSA-N 0 3 295.386 3.238 50 0 CGAAHN C[C@H]1CCCCN1CCNC(=O)c1ccc(F)cc1Cl ZINC000046859266 175399867 /nfs/dbraw/zinc/39/98/67/175399867.db2.gz FTYXPZAGLYOPCT-NSHDSACASA-N 0 3 298.789 3.083 50 0 CGAAHN Cc1nn(CC(C)C)c(Cl)c1CNCC[C@H]1CCCO1 ZINC000072280296 176358150 /nfs/dbraw/zinc/35/81/50/176358150.db2.gz FQWAZWNDWMUTKA-CYBMUJFWSA-N 0 3 299.846 3.160 50 0 CGAAHN COCCC1(CNCc2cc(C)ccn2)CCCCC1 ZINC000685943271 544110597 /nfs/dbraw/zinc/11/05/97/544110597.db2.gz JPRHGOBDPCIHIP-UHFFFAOYSA-N 0 3 276.424 3.467 50 0 CGAAHN COCc1csc(CN[C@H](C)c2cccc(O)c2)c1 ZINC000657350097 419256517 /nfs/dbraw/zinc/25/65/17/419256517.db2.gz ZWFFRRZEJADYMQ-LLVKDONJSA-N 0 3 277.389 3.451 50 0 CGAAHN Cc1cccc2c1[C@@H](C)C[C@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000195558588 336056212 /nfs/dbraw/zinc/05/62/12/336056212.db2.gz PCOHFNDJPIMCGN-TTZDDIAXSA-N 0 3 257.377 3.070 50 0 CGAAHN c1csc([C@@H]2CCCCN2Cc2ccc3nn[nH]c3c2)n1 ZINC000019744348 618970495 /nfs/dbraw/zinc/97/04/95/618970495.db2.gz ABPBWZRIIZNJFA-AWEZNQCLSA-N 0 3 299.403 3.142 50 0 CGAAHN CN(CCCC(F)(F)F)Cc1[nH]nc2c1CCCC2 ZINC000020600555 618979478 /nfs/dbraw/zinc/97/94/78/618979478.db2.gz NNFLHDRVBZDVLJ-UHFFFAOYSA-N 0 3 275.318 3.063 50 0 CGAAHN Cc1ncsc1CN[C@H](C)/C=C\c1ccccn1 ZINC000888098180 619260102 /nfs/dbraw/zinc/26/01/02/619260102.db2.gz CLZYTUVDQNIGJG-JMEBYUIHSA-N 0 3 259.378 3.038 50 0 CGAAHN Cc1cnn(C[C@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101219 619260893 /nfs/dbraw/zinc/26/08/93/619260893.db2.gz UTRWPNDKDDEURR-RYUDHWBXSA-N 0 3 294.349 3.263 50 0 CGAAHN C[C@@H](NC(=O)CN1CCCCCC1)c1cc(F)cc(F)c1 ZINC000952966157 636776400 /nfs/dbraw/zinc/77/64/00/636776400.db2.gz DMJIFFOUOQUZPV-GFCCVEGCSA-N 0 3 296.361 3.018 50 0 CGAAHN c1ccc(N2CC[C@H](N3CCOc4ccccc4C3)C2)cc1 ZINC000952979980 636777359 /nfs/dbraw/zinc/77/73/59/636777359.db2.gz GSDUEXFNYXBLNQ-SFHVURJKSA-N 0 3 294.398 3.160 50 0 CGAAHN C[C@]1(c2ccccc2)C[C@@H](O)C[C@@H](c2ccccc2)N1 ZINC000005729956 798836993 /nfs/dbraw/zinc/83/69/93/798836993.db2.gz UIYVXTMJZHAIIU-OKZBNKHCSA-N 0 3 267.372 3.387 50 0 CGAAHN CN(Cc1cccnc1)C[C@@H]1CCOc2ccccc2C1 ZINC000095528552 185005413 /nfs/dbraw/zinc/00/54/13/185005413.db2.gz OXOYHXLSSMYCMI-OAHLLOKOSA-N 0 3 282.387 3.155 50 0 CGAAHN CCc1nc(CN[C@H](C)CCc2cccn2C)cs1 ZINC000095961942 185045039 /nfs/dbraw/zinc/04/50/39/185045039.db2.gz BDDHZPAIMIUUMN-GFCCVEGCSA-N 0 3 277.437 3.155 50 0 CGAAHN Cn1cc(CN(Cc2ccccc2)C(C)(C)C)cn1 ZINC000095966486 185045921 /nfs/dbraw/zinc/04/59/21/185045921.db2.gz MCVAMZMJHWIYNG-UHFFFAOYSA-N 0 3 257.381 3.221 50 0 CGAAHN Cc1cc2[nH]c(C(=O)NCCN3CCCCC3)cc2c(C)c1 ZINC000000171571 344854029 /nfs/dbraw/zinc/85/40/29/344854029.db2.gz HQYKLHQNUFMJDW-UHFFFAOYSA-N 0 3 299.418 3.000 50 0 CGAAHN Cc1cc(C(=O)N2CCC[C@H]2CN2CCCC2)c(C)s1 ZINC000066945357 345310376 /nfs/dbraw/zinc/31/03/76/345310376.db2.gz ONSQRPKYPVTRQN-AWEZNQCLSA-N 0 3 292.448 3.065 50 0 CGAAHN C[C@H](N[C@@H]1CCCC[C@@H]1CO)c1nc2ccccc2o1 ZINC000097101703 345906727 /nfs/dbraw/zinc/90/67/27/345906727.db2.gz HYJRENBHCKGJLF-YNEHKIRRSA-N 0 3 274.364 3.030 50 0 CGAAHN Cc1cc(N[C@@H]2CC[C@@H](C)C2)cc(N2CCN(C)CC2)c1 ZINC000170608788 346195135 /nfs/dbraw/zinc/19/51/35/346195135.db2.gz QWLSSTXXUSLTKE-GDBMZVCRSA-N 0 3 287.451 3.347 50 0 CGAAHN CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC000248132612 346374417 /nfs/dbraw/zinc/37/44/17/346374417.db2.gz NOQBNFYRLHFTQI-LSDHHAIUSA-N 0 3 298.386 3.132 50 0 CGAAHN Cc1nc(C(F)(F)F)ncc1CN1CCC[C@@H](C)CC1 ZINC000584889132 346722223 /nfs/dbraw/zinc/72/22/23/346722223.db2.gz QXGNBWOJMUFOSS-SNVBAGLBSA-N 0 3 287.329 3.426 50 0 CGAAHN Cc1ccc([C@H](C)CN[C@@H](c2nncn2C)C(C)C)cc1 ZINC000628271864 350473151 /nfs/dbraw/zinc/47/31/51/350473151.db2.gz UDTKFWKYAADXQW-GDBMZVCRSA-N 0 3 286.423 3.214 50 0 CGAAHN COc1ccc(CNCc2cc(OC)cc(OC)c2)cc1 ZINC000000263222 368328000 /nfs/dbraw/zinc/32/80/00/368328000.db2.gz PUUIMGFMLAOYFH-UHFFFAOYSA-N 0 3 287.359 3.002 50 0 CGAAHN CCN(CC)CCC(=O)c1ccc(OC(C)C)cc1 ZINC000000340702 368343445 /nfs/dbraw/zinc/34/34/45/368343445.db2.gz NVIHTIMHORHTSM-UHFFFAOYSA-N 0 3 263.381 3.388 50 0 CGAAHN C[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 ZINC000000572369 368389239 /nfs/dbraw/zinc/38/92/39/368389239.db2.gz AONULZXDXUOQLH-LBPRGKRZSA-N 0 3 255.317 3.266 50 0 CGAAHN Cc1cccc(CSc2nnc([C@H]3CCCN3)o2)c1 ZINC000001269296 368405920 /nfs/dbraw/zinc/40/59/20/368405920.db2.gz GACKSRBZTVVYDL-GFCCVEGCSA-N 0 3 275.377 3.095 50 0 CGAAHN C[C@@H]1[C@H](O)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000004011404 368526291 /nfs/dbraw/zinc/52/62/91/368526291.db2.gz RUYRAUWKVSWJFK-PILAGYSTSA-N 0 3 267.372 3.459 50 0 CGAAHN O[C@]12CCCC[C@@H]1[C@@H](c1cccc(Cl)c1)NCC2 ZINC000004612909 368552906 /nfs/dbraw/zinc/55/29/06/368552906.db2.gz XYHROWNMYDANFB-KFWWJZLASA-N 0 3 265.784 3.296 50 0 CGAAHN CCCNCc1cc(Cl)cc(OC)c1OCC ZINC000010474769 368583784 /nfs/dbraw/zinc/58/37/84/368583784.db2.gz OXLGDDFFPLDZBT-UHFFFAOYSA-N 0 3 257.761 3.247 50 0 CGAAHN Cc1ccc(CN2CCC(CO)(Cc3ccccc3)CC2)o1 ZINC000014968482 368687378 /nfs/dbraw/zinc/68/73/78/368687378.db2.gz NNZQOXFGCHSCOJ-UHFFFAOYSA-N 0 3 299.414 3.405 50 0 CGAAHN CCN(CCN(C)C)Cc1ccc(Cl)cc1Cl ZINC000019633255 368758607 /nfs/dbraw/zinc/75/86/07/368758607.db2.gz GSOQSWZCSHCSIB-UHFFFAOYSA-N 0 3 275.223 3.377 50 0 CGAAHN CC[C@H](C)N1CCN(Cc2ccccc2Cl)CC1 ZINC000019831774 368767962 /nfs/dbraw/zinc/76/79/62/368767962.db2.gz XJPHSHBYRHYGFQ-ZDUSSCGKSA-N 0 3 266.816 3.256 50 0 CGAAHN CC(C)N1CCC(Nc2nc3ccccc3o2)CC1 ZINC000025249726 368843210 /nfs/dbraw/zinc/84/32/10/368843210.db2.gz VKGVMUNYXJAFDV-UHFFFAOYSA-N 0 3 259.353 3.113 50 0 CGAAHN CN(Cc1ccc(F)c(F)c1)C[C@H](O)c1ccccc1 ZINC000023280395 368818518 /nfs/dbraw/zinc/81/85/18/368818518.db2.gz JINFOKYZHLOJQQ-INIZCTEOSA-N 0 3 277.314 3.130 50 0 CGAAHN c1ccc2[nH]c(C3CCN(Cc4cccnc4)CC3)nc2c1 ZINC000024880320 368837827 /nfs/dbraw/zinc/83/78/27/368837827.db2.gz MIJMOIPZRLTRSK-UHFFFAOYSA-N 0 3 292.386 3.338 50 0 CGAAHN OC1CCC(NCc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000020089520 368799449 /nfs/dbraw/zinc/79/94/49/368799449.db2.gz JXLWVJRUWQMUSM-UHFFFAOYSA-N 0 3 289.350 3.479 50 0 CGAAHN O=C(Nc1cccc(CN2CCCCC2)c1)C1CCC1 ZINC000031621092 368915882 /nfs/dbraw/zinc/91/58/82/368915882.db2.gz OWWJSZSZNZOMPT-UHFFFAOYSA-N 0 3 272.392 3.411 50 0 CGAAHN CC(=O)N1CCC(N[C@@H](C)c2ccccc2Cl)CC1 ZINC000035009625 368988378 /nfs/dbraw/zinc/98/83/78/368988378.db2.gz ONINPYURHPLRND-NSHDSACASA-N 0 3 280.799 3.002 50 0 CGAAHN COc1ccc([C@@H](C)NC[C@@H]2CCC=CO2)c(OC)c1 ZINC000050268035 369433216 /nfs/dbraw/zinc/43/32/16/369433216.db2.gz YLSUYFXPYHEORI-OCCSQVGLSA-N 0 3 277.364 3.047 50 0 CGAAHN CCN1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC000057159524 369532529 /nfs/dbraw/zinc/53/25/29/369532529.db2.gz HPDMUTXWACQDJW-INIZCTEOSA-N 0 3 274.408 3.024 50 0 CGAAHN COc1ccccc1OCCN1CCC[C@@H]1c1ccc[nH]1 ZINC000058357156 369564371 /nfs/dbraw/zinc/56/43/71/369564371.db2.gz KRZPIKBPRYYACF-OAHLLOKOSA-N 0 3 286.375 3.239 50 0 CGAAHN Cc1ccc2c(c1)c(CNC1Cc3ccccc3C1)nn2C ZINC000065404924 369673823 /nfs/dbraw/zinc/67/38/23/369673823.db2.gz HNRZACBQGVCQHV-UHFFFAOYSA-N 0 3 291.398 3.139 50 0 CGAAHN C[C@H](COc1ccccc1)NCc1[nH]nc2c1CCCCC2 ZINC000067695670 369726244 /nfs/dbraw/zinc/72/62/44/369726244.db2.gz OZGJMHTYFHKSKE-CQSZACIVSA-N 0 3 299.418 3.236 50 0 CGAAHN C[C@H](COc1ccccc1)NCc1n[nH]c2c1CCCCC2 ZINC000067695670 369726246 /nfs/dbraw/zinc/72/62/46/369726246.db2.gz OZGJMHTYFHKSKE-CQSZACIVSA-N 0 3 299.418 3.236 50 0 CGAAHN CN1CCC(Cc2noc(/C=C/c3ccccc3)n2)CC1 ZINC000067966530 369736790 /nfs/dbraw/zinc/73/67/90/369736790.db2.gz UNSOQSSIQBPULR-BQYQJAHWSA-N 0 3 283.375 3.124 50 0 CGAAHN CO[C@@H](CNCc1c[nH]nc1C(C)(C)C)c1ccccc1 ZINC000071821857 369812159 /nfs/dbraw/zinc/81/21/59/369812159.db2.gz BKTPLDZMMNGPBU-HNNXBMFYSA-N 0 3 287.407 3.185 50 0 CGAAHN CCS[C@H]1CC[C@H](N(C)Cc2cccnc2)C1 ZINC000076067460 369927690 /nfs/dbraw/zinc/92/76/90/369927690.db2.gz DBQYULHFTADJIG-KBPBESRZSA-N 0 3 250.411 3.188 50 0 CGAAHN COc1cccc([C@H](C)NCCn2cnc3ccccc32)c1 ZINC000084656247 370015438 /nfs/dbraw/zinc/01/54/38/370015438.db2.gz IJFJBMRKUIKOQX-AWEZNQCLSA-N 0 3 295.386 3.396 50 0 CGAAHN CCCCn1ccnc1[C@@H]1CCCN(c2ccncc2)C1 ZINC000095352778 370177997 /nfs/dbraw/zinc/17/79/97/370177997.db2.gz SRXAKRMJLNDTNV-OAHLLOKOSA-N 0 3 284.407 3.462 50 0 CGAAHN CN(C)CCSc1ccc(NC(=O)NC(C)(C)C)cc1 ZINC000095411768 370185039 /nfs/dbraw/zinc/18/50/39/370185039.db2.gz FMJCNLPJGOBMJJ-UHFFFAOYSA-N 0 3 295.452 3.260 50 0 CGAAHN COc1ccc2c(c1)CCC[C@H]2CNCc1cscn1 ZINC000097145319 370230785 /nfs/dbraw/zinc/23/07/85/370230785.db2.gz NPWZINXCVJYBBN-ZDUSSCGKSA-N 0 3 288.416 3.361 50 0 CGAAHN Cc1ccc([C@@H](C)CCN2CCC(c3ncon3)CC2)o1 ZINC000097638059 370249489 /nfs/dbraw/zinc/24/94/89/370249489.db2.gz ZRWOSRUDIKXHDS-LBPRGKRZSA-N 0 3 289.379 3.344 50 0 CGAAHN Cc1nc[nH]c1CN1CCC[C@@H](c2ccccc2)C1 ZINC000097660463 370250123 /nfs/dbraw/zinc/25/01/23/370250123.db2.gz QPXUMIOLEFEINN-OAHLLOKOSA-N 0 3 255.365 3.098 50 0 CGAAHN C[C@H](NCCSCc1ccccc1)c1cnccn1 ZINC000095419423 370187263 /nfs/dbraw/zinc/18/72/63/370187263.db2.gz PBJSWYNMBQIZBF-ZDUSSCGKSA-N 0 3 273.405 3.061 50 0 CGAAHN C[C@H](NCCc1ccc2c(c1)CCO2)c1cncc(F)c1 ZINC000095422434 370190282 /nfs/dbraw/zinc/19/02/82/370190282.db2.gz AGDOOFHIHSJOOP-LBPRGKRZSA-N 0 3 286.350 3.049 50 0 CGAAHN C[C@@H](NC[C@](C)(O)c1cccs1)c1ccccc1F ZINC000095422968 370190339 /nfs/dbraw/zinc/19/03/39/370190339.db2.gz KFDMVZLPCHZXTA-ABAIWWIYSA-N 0 3 279.380 3.446 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000103341808 370324396 /nfs/dbraw/zinc/32/43/96/370324396.db2.gz ZXMNJAJUOMJFSU-GHMZBOCLSA-N 0 3 288.313 3.306 50 0 CGAAHN CN(CCC1CCOCC1)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179847918 373925482 /nfs/dbraw/zinc/92/54/82/373925482.db2.gz SEVMMFRUSGNRBI-UHFFFAOYSA-N 0 3 299.418 3.325 50 0 CGAAHN CN(CCC1CCOCC1)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179847918 373925489 /nfs/dbraw/zinc/92/54/89/373925489.db2.gz SEVMMFRUSGNRBI-UHFFFAOYSA-N 0 3 299.418 3.325 50 0 CGAAHN Cc1nc(C)c(CNC[C@@H]2COc3ccccc32)s1 ZINC000311616882 374249652 /nfs/dbraw/zinc/24/96/52/374249652.db2.gz GVYWUEPZFRZXQA-GFCCVEGCSA-N 0 3 274.389 3.026 50 0 CGAAHN CCc1nn(C)c(CC)c1CN[C@H](C)CSCC(C)C ZINC000090846053 541964803 /nfs/dbraw/zinc/96/48/03/541964803.db2.gz BKTIZYYCENIUID-CYBMUJFWSA-N 0 3 297.512 3.412 50 0 CGAAHN CC[C@@H](NCc1ccc(Br)o1)[C@H]1CCCO1 ZINC000191486508 375632844 /nfs/dbraw/zinc/63/28/44/375632844.db2.gz OSUQLHSUGOLRDF-GHMZBOCLSA-N 0 3 288.185 3.089 50 0 CGAAHN CO[C@@H]1CCCN(Cc2ccccc2SC)C1 ZINC000215820342 376152116 /nfs/dbraw/zinc/15/21/16/376152116.db2.gz LYYLTMKMZINSFQ-CYBMUJFWSA-N 0 3 251.395 3.019 50 0 CGAAHN O=C1CCC2(CCN(C/C=C/c3ccccc3)CC2)CCN1 ZINC000216272174 376160502 /nfs/dbraw/zinc/16/05/02/376160502.db2.gz OHVWUEQGDWMJLP-QPJJXVBHSA-N 0 3 298.430 3.082 50 0 CGAAHN CO[C@@H]1CCN(Cc2ccccc2OCc2ccccc2)C1 ZINC000216443260 376164341 /nfs/dbraw/zinc/16/43/41/376164341.db2.gz KNLNYZZNCGFBGK-GOSISDBHSA-N 0 3 297.398 3.486 50 0 CGAAHN C/C(=C/C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1)C1CC1 ZINC000229632944 376467538 /nfs/dbraw/zinc/46/75/38/376467538.db2.gz GVEDMVJSRFDRCT-AGUXBPQBSA-N 0 3 298.430 3.294 50 0 CGAAHN CC(C)C[C@H]1CCCN1C(=O)C[C@H](N)c1ccccc1 ZINC000170050467 542179458 /nfs/dbraw/zinc/17/94/58/542179458.db2.gz YINYIAXBMIXKKX-CVEARBPZSA-N 0 3 274.408 3.114 50 0 CGAAHN COc1cc([C@H](C)NC[C@H](C)c2nccs2)ccn1 ZINC000252488965 377631495 /nfs/dbraw/zinc/63/14/95/377631495.db2.gz JCYQRLZKOKPNKB-QWRGUYRKSA-N 0 3 277.393 3.001 50 0 CGAAHN COc1cccc(CN[C@@](C)(CO)C2CCCCC2)c1F ZINC000192687581 542268709 /nfs/dbraw/zinc/26/87/09/542268709.db2.gz OJPGBIDFQPBCKF-KRWDZBQOSA-N 0 3 295.398 3.255 50 0 CGAAHN CCCc1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000000206209 391907671 /nfs/dbraw/zinc/90/76/71/391907671.db2.gz SDSWGMRXRGFCQR-KRWDZBQOSA-N 0 3 291.435 3.111 50 0 CGAAHN Cc1cc2oc(=O)cc(CN3CCCC[C@@H]3C)c2cc1O ZINC000002123706 391913603 /nfs/dbraw/zinc/91/36/03/391913603.db2.gz RQUGNXHNRZZRAX-LBPRGKRZSA-N 0 3 287.359 3.181 50 0 biogenic CGAAHN CCCCc1ccc(CN2CCN(C)[C@H](C)C2)s1 ZINC000216519071 392990739 /nfs/dbraw/zinc/99/07/39/392990739.db2.gz PNUSLUNKRALEHO-CYBMUJFWSA-N 0 3 266.454 3.227 50 0 CGAAHN CCCn1cc(CN(CC)[C@H]2CCOC(C)(C)C2)cn1 ZINC000356233473 393390373 /nfs/dbraw/zinc/39/03/73/393390373.db2.gz BNSNCTOLHAZQAT-HNNXBMFYSA-N 0 3 279.428 3.073 50 0 CGAAHN Cn1nccc1CN(Cc1ccccc1)CC1CCC1 ZINC000092507374 165300007 /nfs/dbraw/zinc/30/00/07/165300007.db2.gz LOUFPGHLIUQVQE-UHFFFAOYSA-N 0 3 269.392 3.222 50 0 CGAAHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000002694399 169820663 /nfs/dbraw/zinc/82/06/63/169820663.db2.gz GSORGCKTOGAQPD-HOTGVXAUSA-N 0 3 291.435 3.426 50 0 CGAAHN Cc1ccccc1NC(=O)CCN(C)Cc1ccccc1 ZINC000004724692 170005864 /nfs/dbraw/zinc/00/58/64/170005864.db2.gz ZOIOSRMJPWFXBU-UHFFFAOYSA-N 0 3 282.387 3.456 50 0 CGAAHN COc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1OC ZINC000004989377 170049835 /nfs/dbraw/zinc/04/98/35/170049835.db2.gz VPYIBXONAYEZTD-STQMWFEESA-N 0 3 263.381 3.182 50 0 CGAAHN Cc1cc(C)c2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000004993277 170051113 /nfs/dbraw/zinc/05/11/13/170051113.db2.gz MZTPZIHLTIBDAY-UHFFFAOYSA-N 0 3 292.382 3.435 50 0 CGAAHN CC[C@@H](CO)NCc1ccccc1OCc1ccc(C)cc1 ZINC000006744086 170238859 /nfs/dbraw/zinc/23/88/59/170238859.db2.gz QKNYKKGZMVNWIS-SFHVURJKSA-N 0 3 299.414 3.435 50 0 CGAAHN C[C@H](NCc1cc(Br)cs1)[C@H]1CCCO1 ZINC000020475181 171219326 /nfs/dbraw/zinc/21/93/26/171219326.db2.gz CGDLPVHEMZFSMB-GZMMTYOYSA-N 0 3 290.226 3.168 50 0 CGAAHN Fc1ccccc1CN1c2ccccc2N2CCCN=C12 ZINC000020890248 171278326 /nfs/dbraw/zinc/27/83/26/171278326.db2.gz MWJOSAXBARNMNV-UHFFFAOYSA-N 0 3 281.334 3.412 50 0 CGAAHN O[C@H](CNC/C=C\c1ccccc1)c1ccccc1 ZINC000035535625 172243391 /nfs/dbraw/zinc/24/33/91/172243391.db2.gz KGVMWXOXZIZYGK-CGQZWFTASA-N 0 3 253.345 3.023 50 0 CGAAHN CC(C)NC(=O)CN[C@@H](c1cccs1)C1CCCC1 ZINC000037262852 173072769 /nfs/dbraw/zinc/07/27/69/173072769.db2.gz OKGLBPLVMYOODE-OAHLLOKOSA-N 0 3 280.437 3.094 50 0 CGAAHN C[C@@H](CNC(=O)c1ccc2ccccc2c1)N1CCCC1 ZINC000046408539 175396090 /nfs/dbraw/zinc/39/60/90/175396090.db2.gz VYINIZWZBHTIDT-AWEZNQCLSA-N 0 3 282.387 3.054 50 0 CGAAHN CN(C)Cc1ccc(CN(C)C(=O)Nc2ccccc2)cc1 ZINC000058173428 175609897 /nfs/dbraw/zinc/60/98/97/175609897.db2.gz PTUPAHQJIFGEQK-UHFFFAOYSA-N 0 3 297.402 3.412 50 0 CGAAHN Cc1cc(C)cc(CN2CC(c3ccccn3)C2)c1 ZINC000072156827 176328986 /nfs/dbraw/zinc/32/89/86/176328986.db2.gz QVJFDNFBHSFAOR-UHFFFAOYSA-N 0 3 252.361 3.298 50 0 CGAAHN O[C@@H](CCc1ccccc1)C1CCN(c2ccncc2)CC1 ZINC000077375129 177260133 /nfs/dbraw/zinc/26/01/33/177260133.db2.gz UCWCRENWYWHGJT-IBGZPJMESA-N 0 3 296.414 3.292 50 0 CGAAHN CCOC(=O)CCN1CCC(c2ccc(Cl)cc2)CC1 ZINC000096601968 265376084 /nfs/dbraw/zinc/37/60/84/265376084.db2.gz RERPXDUOQSGNRO-UHFFFAOYSA-N 0 3 295.810 3.473 50 0 CGAAHN C[C@@H]1CC[C@@H](N2CCN(c3ccccc3F)CC2)C1 ZINC000000757180 274311793 /nfs/dbraw/zinc/31/17/93/274311793.db2.gz MVZYFQAJTIFKAW-ZIAGYGMSSA-N 0 3 262.372 3.136 50 0 CGAAHN COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)NCC2 ZINC000019300582 277394600 /nfs/dbraw/zinc/39/46/00/277394600.db2.gz KWBPKDVQTDDUMU-QGZVFWFLSA-N 0 3 287.334 3.078 50 0 biogenic CGAAHN COc1c[nH]c(CN(C)[C@H]2CCCc3ccccc32)cc1=O ZINC000244816855 278072133 /nfs/dbraw/zinc/07/21/33/278072133.db2.gz SPRZDUFCRIIADA-INIZCTEOSA-N 0 3 298.386 3.305 50 0 CGAAHN CC1(C)OC[C@@H](N2CCCCC2)[C@H](c2ccccc2)O1 ZINC000095918095 278417396 /nfs/dbraw/zinc/41/73/96/278417396.db2.gz NYILHNFZMOENDP-CVEARBPZSA-N 0 3 275.392 3.365 50 0 CGAAHN Cc1csc(C2(N[C@H](C)C3CCOCC3)CCC2)n1 ZINC000170067323 293027701 /nfs/dbraw/zinc/02/77/01/293027701.db2.gz NPYPKTVZTLFVNY-GFCCVEGCSA-N 0 3 280.437 3.235 50 0 CGAAHN Cc1cc(CNC[C@H](O)c2ccco2)ccc1Cl ZINC000096500115 533701070 /nfs/dbraw/zinc/70/10/70/533701070.db2.gz PUFFPVXYUZHSDD-ZDUSSCGKSA-N 0 3 265.740 3.065 50 0 CGAAHN C/C=C(\C)CN1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000426544918 330511861 /nfs/dbraw/zinc/51/18/61/330511861.db2.gz PCKWDLVGQMKGRX-PWTCPNTCSA-N 0 3 298.430 3.091 50 0 CGAAHN CCOC(=O)[C@H](C)[C@H](C)NCc1cccn1CCC(C)C ZINC000170601618 527974449 /nfs/dbraw/zinc/97/44/49/527974449.db2.gz LDHXRXKGOUSNLR-CABCVRRESA-N 0 3 294.439 3.212 50 0 CGAAHN CCOc1ccc2ccccc2c1-c1nc2c([nH]1)CNCC2 ZINC000097743636 528623927 /nfs/dbraw/zinc/62/39/27/528623927.db2.gz RRCTXOJFZXGLOM-UHFFFAOYSA-N 0 3 293.370 3.274 50 0 CGAAHN CCc1cc(CN[C@@H](C)c2ccccc2-n2cccn2)n[nH]1 ZINC000952966835 615650633 /nfs/dbraw/zinc/65/06/33/615650633.db2.gz FHRVXWDNFHQCQW-ZDUSSCGKSA-N 0 3 295.390 3.009 50 0 CGAAHN Cc1cc(N[C@H](C)c2ccccc2Cl)nc(N)n1 ZINC000043532811 622319238 /nfs/dbraw/zinc/31/92/38/622319238.db2.gz SDFVWIXTKIJQPJ-SECBINFHSA-N 0 3 262.744 3.194 50 0 CGAAHN O=C1C[C@H](NCc2ccsc2)CN1C1CCCCCC1 ZINC000012387500 626070044 /nfs/dbraw/zinc/07/00/44/626070044.db2.gz GOAZSHNQNDTNLF-AWEZNQCLSA-N 0 3 292.448 3.161 50 0 CGAAHN Cc1ncsc1CNC[C@H](C)c1nc2ccccc2o1 ZINC000096446425 230374619 /nfs/dbraw/zinc/37/46/19/230374619.db2.gz PNPZLDRTZVGILS-JTQLQIEISA-N 0 3 287.388 3.486 50 0 CGAAHN CCn1cc(CN[C@@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000096456823 230377543 /nfs/dbraw/zinc/37/75/43/230377543.db2.gz RGQDIIRDWZXINF-PXAZEXFGSA-N 0 3 287.382 3.455 50 0 CGAAHN C[C@H](c1ncc(C(C)(C)C)o1)N1CCCN(C2CC2)CC1 ZINC000095963279 185044267 /nfs/dbraw/zinc/04/42/67/185044267.db2.gz NPERUCVYNRMBNC-CYBMUJFWSA-N 0 3 291.439 3.203 50 0 CGAAHN C[C@H](CO)N[C@H](C)c1ccc(SC(F)F)cc1 ZINC000095968678 185048189 /nfs/dbraw/zinc/04/81/89/185048189.db2.gz NCPNPNNHBYPELA-RKDXNWHRSA-N 0 3 261.337 3.033 50 0 CGAAHN CN(C)c1cccc(CNCc2ccc(F)cc2)c1 ZINC000078757945 345621707 /nfs/dbraw/zinc/62/17/07/345621707.db2.gz PSSULDSQBWEYSL-UHFFFAOYSA-N 0 3 258.340 3.182 50 0 CGAAHN CC1(C)CCCC[C@H]1NCc1nc(-c2ccco2)no1 ZINC000119785449 345995457 /nfs/dbraw/zinc/99/54/57/345995457.db2.gz BDWNUELHYXDPIC-GFCCVEGCSA-N 0 3 275.352 3.388 50 0 CGAAHN C[C@H](C1CC1)N(C(=O)[C@@H](C)[C@H](N)c1ccccc1)C1CC1 ZINC000221333239 346297504 /nfs/dbraw/zinc/29/75/04/346297504.db2.gz OGNOSEGQWDAFEY-AHIWAGSCSA-N 0 3 286.419 3.112 50 0 CGAAHN C[C@H](CCc1ccco1)N[C@@H](CO)c1ccc(F)cc1 ZINC000271476132 191160495 /nfs/dbraw/zinc/16/04/95/191160495.db2.gz MPOXFVOQCGDZGW-WBMJQRKESA-N 0 3 277.339 3.063 50 0 CGAAHN C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)c2ccsc2S1 ZINC000183578850 291084207 /nfs/dbraw/zinc/08/42/07/291084207.db2.gz SINFCWVGKJLFSX-MEWQQHAOSA-N 0 3 281.446 3.200 50 0 CGAAHN CC[C@@H](NCC1(OC)CCOCC1)c1ccccc1F ZINC000180979909 189285437 /nfs/dbraw/zinc/28/54/37/189285437.db2.gz NFYHNHRRTOZLOT-OAHLLOKOSA-N 0 3 281.371 3.062 50 0 CGAAHN Cc1cc(CN2CCCCC2)c(O)c(C(C)(C)C)n1 ZINC000000300967 368336088 /nfs/dbraw/zinc/33/60/88/368336088.db2.gz IRDQSTQYRVMKHG-UHFFFAOYSA-N 0 3 262.397 3.379 50 0 CGAAHN Cc1cc(C[NH+]2CCCCC2)c([O-])c(C(C)(C)C)n1 ZINC000000300967 368336092 /nfs/dbraw/zinc/33/60/92/368336092.db2.gz IRDQSTQYRVMKHG-UHFFFAOYSA-N 0 3 262.397 3.379 50 0 CGAAHN C[C@@H]([NH3+])Cc1ccccc1Sc1ccccc1[O-] ZINC000000347796 368345636 /nfs/dbraw/zinc/34/56/36/368345636.db2.gz PHQGPZDJBURYLG-LLVKDONJSA-N 0 3 259.374 3.433 50 0 CGAAHN Cc1sc(C(=O)[C@@H](C)CN(C)C)cc1Br ZINC000000480804 368376645 /nfs/dbraw/zinc/37/66/45/368376645.db2.gz FQJYSEFVBMGNAU-ZETCQYMHSA-N 0 3 290.226 3.199 50 0 CGAAHN C[C@@H]1Cc2c3ccccc3[nH]c2[C@]2(CNc3ccccc32)N1 ZINC000000518639 368382668 /nfs/dbraw/zinc/38/26/68/368382668.db2.gz APRJFLZRSMYBET-CWTRNNRKSA-N 0 3 289.382 3.371 50 0 biogenic CGAAHN Cc1cc2oc(=O)cc(CN3CCCCCC3)c2cc1O ZINC000002123416 368447112 /nfs/dbraw/zinc/44/71/12/368447112.db2.gz JFHSZSQQVFUASK-UHFFFAOYSA-N 0 3 287.359 3.183 50 0 biogenic CGAAHN CCN(CC)CCOC(=O)Nc1cccc(Cl)c1 ZINC000001671718 368428341 /nfs/dbraw/zinc/42/83/41/368428341.db2.gz JPWHECYDSNDVDC-UHFFFAOYSA-N 0 3 270.760 3.230 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000012523355 368616098 /nfs/dbraw/zinc/61/60/98/368616098.db2.gz IQFJZSYZKNWNRD-UHFFFAOYSA-N 0 3 289.423 3.004 50 0 CGAAHN COc1ccc(CNCc2c[nH]nc2-c2cccs2)cc1 ZINC000012530377 368617358 /nfs/dbraw/zinc/61/73/58/368617358.db2.gz MHXKIKZFOFHOEF-UHFFFAOYSA-N 0 3 299.399 3.437 50 0 CGAAHN CCN1CCC(NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000016604840 368716972 /nfs/dbraw/zinc/71/69/72/368716972.db2.gz WKYBWBRYPWTCHE-UHFFFAOYSA-N 0 3 288.435 3.198 50 0 CGAAHN CC(C)CNCc1cc(Br)ccc1F ZINC000019882915 368775783 /nfs/dbraw/zinc/77/57/83/368775783.db2.gz VUQYRDMFVDJZPA-UHFFFAOYSA-N 0 3 260.150 3.334 50 0 CGAAHN Cc1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000019537250 368756218 /nfs/dbraw/zinc/75/62/18/368756218.db2.gz IHRCYUMMBFTQHU-UHFFFAOYSA-N 0 3 280.415 3.313 50 0 CGAAHN CN(CCCNC(=O)c1ccsc1)Cc1ccccc1 ZINC000024838493 368836559 /nfs/dbraw/zinc/83/65/59/368836559.db2.gz GCGQAVDZQJBJSH-UHFFFAOYSA-N 0 3 288.416 3.000 50 0 CGAAHN CC[C@H](C)N1CCN(CCCc2ccccc2)CC1 ZINC000019900096 368776992 /nfs/dbraw/zinc/77/69/92/368776992.db2.gz JWTOMJUFGNDBMM-INIZCTEOSA-N 0 3 260.425 3.035 50 0 CGAAHN Cc1c2nc(NCCN(C)C)sc2ccc1Cl ZINC000026424073 368859790 /nfs/dbraw/zinc/85/97/90/368859790.db2.gz YCNFQYRJDMHIBE-UHFFFAOYSA-N 0 3 269.801 3.232 50 0 CGAAHN C[C@@H](CN1CCCC1)C(=O)c1ccc(Cl)cc1 ZINC000034484336 368975555 /nfs/dbraw/zinc/97/55/55/368975555.db2.gz FKQJPVFJZTTYGN-NSHDSACASA-N 0 3 251.757 3.255 50 0 CGAAHN CC(C)C[C@@H](NCc1cnn(C)c1)c1ccccc1 ZINC000035012767 368989424 /nfs/dbraw/zinc/98/94/24/368989424.db2.gz MPQKJWUDZOLGJO-MRXNPFEDSA-N 0 3 257.381 3.297 50 0 CGAAHN CCN1CCC[C@H](Nc2ccc3ccccc3n2)C1 ZINC000040503235 369159644 /nfs/dbraw/zinc/15/96/44/369159644.db2.gz VBDYYMSVIFJGDQ-AWEZNQCLSA-N 0 3 255.365 3.131 50 0 CGAAHN COC(=O)CCN1CCC[C@@H]1c1ccccc1Cl ZINC000052210633 369466721 /nfs/dbraw/zinc/46/67/21/369466721.db2.gz BFDOHRPWDLQSBD-CYBMUJFWSA-N 0 3 267.756 3.040 50 0 CGAAHN CCN(CC[C@@H](C)SC)Cc1c(C)nn(CC)c1C ZINC000055343382 369514491 /nfs/dbraw/zinc/51/44/91/369514491.db2.gz OPORUTUCSREIDB-GFCCVEGCSA-N 0 3 283.485 3.483 50 0 CGAAHN Cc1ccccc1CN1CCN(c2ccc(F)cc2)CC1 ZINC000055543487 369519256 /nfs/dbraw/zinc/51/92/56/369519256.db2.gz ZVDGPODUVIQZLR-UHFFFAOYSA-N 0 3 284.378 3.456 50 0 CGAAHN Cc1cc(C)c(CN[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1 ZINC000060062129 369584928 /nfs/dbraw/zinc/58/49/28/369584928.db2.gz VGMNMKAZMLDUAF-RBUKOAKNSA-N 0 3 281.399 3.360 50 0 CGAAHN OCc1ccc(CN2CC[C@H](c3ccccc3Cl)C2)o1 ZINC000065432583 369675972 /nfs/dbraw/zinc/67/59/72/369675972.db2.gz TUVZBSKEAWOUFR-LBPRGKRZSA-N 0 3 291.778 3.415 50 0 CGAAHN CCc1nc(C)sc1CN[C@H](C)Cn1nc(C)cc1C ZINC000067724659 369725826 /nfs/dbraw/zinc/72/58/26/369725826.db2.gz QUTMONNEYCJTLF-LLVKDONJSA-N 0 3 292.452 3.006 50 0 CGAAHN CNCc1cc(-c2ccc(F)cc2OC)ccc1OC ZINC000067855738 369734218 /nfs/dbraw/zinc/73/42/18/369734218.db2.gz WFFCIRCGIJDZHS-UHFFFAOYSA-N 0 3 275.323 3.229 50 0 CGAAHN Cc1ccccc1OCCCN(C)Cc1cccnc1 ZINC000089696759 370046705 /nfs/dbraw/zinc/04/67/05/370046705.db2.gz OKESQXBYLIKBCG-UHFFFAOYSA-N 0 3 270.376 3.291 50 0 CGAAHN Cc1n[nH]cc1CN[C@H]1c2cccc(F)c2CC[C@H]1C ZINC000080339813 369987177 /nfs/dbraw/zinc/98/71/77/369987177.db2.gz RVKQMYCHMFHOLF-QLJPJBMISA-N 0 3 273.355 3.270 50 0 CGAAHN C/C(=C/c1ccccc1)CN1CCC[C@H](CCC(N)=O)C1 ZINC000092660378 370099765 /nfs/dbraw/zinc/09/97/65/370099765.db2.gz DFBNOGSLOXRTIC-MLRPBERTSA-N 0 3 286.419 3.067 50 0 CGAAHN CCN1CCC[C@H]1CN1c2cccc3cccc(c23)C1=O ZINC000095382549 370180262 /nfs/dbraw/zinc/18/02/62/370180262.db2.gz QCDGRCDDKAHUMI-AWEZNQCLSA-N 0 3 280.371 3.284 50 0 CGAAHN CCc1cnc(N[C@H]2CCCN(Cc3ccccc3)C2)nc1 ZINC000095390590 370181089 /nfs/dbraw/zinc/18/10/89/370181089.db2.gz YGGMUONZTXIOKC-KRWDZBQOSA-N 0 3 296.418 3.116 50 0 CGAAHN C[C@@H](c1ccc(F)cc1)N1CCC(c2cnn(C)c2)CC1 ZINC000097203548 370232463 /nfs/dbraw/zinc/23/24/63/370232463.db2.gz GANQZLRRAJFGRK-ZDUSSCGKSA-N 0 3 287.382 3.500 50 0 CGAAHN Cc1nc(C2CCN(CCCc3ccccc3)CC2)no1 ZINC000097546461 370245365 /nfs/dbraw/zinc/24/53/65/370245365.db2.gz KAKNOQHIPZBQHI-UHFFFAOYSA-N 0 3 285.391 3.190 50 0 CGAAHN COc1cccc(C[C@@H](C)NCc2ccc(C)cn2)c1 ZINC000095416673 370186551 /nfs/dbraw/zinc/18/65/51/370186551.db2.gz SPUJZNCVUFGSEP-CQSZACIVSA-N 0 3 270.376 3.119 50 0 CGAAHN C[C@H]1CSCCN1CCC(=O)Nc1ccccc1Cl ZINC000172592452 372992068 /nfs/dbraw/zinc/99/20/68/372992068.db2.gz FQJIWABSOYTCGW-NSHDSACASA-N 0 3 298.839 3.106 50 0 CGAAHN C[C@@H](c1ccc(Cl)cc1)N1CCC[C@H](c2nnc[nH]2)C1 ZINC000075094596 541907399 /nfs/dbraw/zinc/90/73/99/541907399.db2.gz OEHZBBYFDTUIEI-AAEUAGOBSA-N 0 3 290.798 3.399 50 0 CGAAHN CS[C@@H](C)c1cccc(NC(=O)N(C)CCN(C)C)c1 ZINC000078581029 541915700 /nfs/dbraw/zinc/91/57/00/541915700.db2.gz KZMSPHZGNDMVRT-LBPRGKRZSA-N 0 3 295.452 3.136 50 0 CGAAHN C[C@@H](NCC1(c2c(F)cccc2F)CC1)c1cnn(C)c1 ZINC000090965200 541964567 /nfs/dbraw/zinc/96/45/67/541964567.db2.gz AKWBXNRGFDSDPF-LLVKDONJSA-N 0 3 291.345 3.081 50 0 CGAAHN Nc1cc(CN2CC[C@@H](CSc3ccccc3)C2)ccn1 ZINC000191516630 375636393 /nfs/dbraw/zinc/63/63/93/375636393.db2.gz WBNILSXIOVJCEN-OAHLLOKOSA-N 0 3 299.443 3.278 50 0 CGAAHN CCN(Cc1cc(CN(C)C)cs1)C[C@H]1CCCCO1 ZINC000215040420 376144404 /nfs/dbraw/zinc/14/44/04/376144404.db2.gz VOYKAMUZMJEBFQ-OAHLLOKOSA-N 0 3 296.480 3.201 50 0 CGAAHN CO[C@@H]1CCN(Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000215524851 376148742 /nfs/dbraw/zinc/14/87/42/376148742.db2.gz ZXLUZXMBKARDTC-MRXNPFEDSA-N 0 3 271.360 3.476 50 0 CGAAHN CN(C[C@H]1CCCN1C)C(=O)c1ccc(-c2ccco2)cc1 ZINC000215603088 376149593 /nfs/dbraw/zinc/14/95/93/376149593.db2.gz JQUIHTRLKUGPRP-MRXNPFEDSA-N 0 3 298.386 3.113 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2cscn2)C1 ZINC000229315757 376460724 /nfs/dbraw/zinc/46/07/24/376460724.db2.gz KTSBNYMMGPYILQ-DZGCQCFKSA-N 0 3 287.432 3.068 50 0 CGAAHN OCc1ccc(CN[C@@H]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000239367137 376774230 /nfs/dbraw/zinc/77/42/30/376774230.db2.gz AHRCGOTZFYQPFD-UKRRQHHQSA-N 0 3 289.350 3.337 50 0 CGAAHN C[C@H]1CN([C@@H]2C=CCCC2)CCN1[C@H]1C=CCCC1 ZINC000246439158 377030753 /nfs/dbraw/zinc/03/07/53/377030753.db2.gz WMMCZZMVJCNODN-BBWFWOEESA-N 0 3 260.425 3.210 50 0 CGAAHN CCN(CC=C(C)C)C[C@@H]1COc2ccccc2O1 ZINC000253392636 377688342 /nfs/dbraw/zinc/68/83/42/377688342.db2.gz NCUJVEJVQJVTSK-CQSZACIVSA-N 0 3 261.365 3.115 50 0 CGAAHN Cc1cnc(C2CN([C@H](C)C(C)C)C2)n1Cc1cccnc1 ZINC000575555155 377917358 /nfs/dbraw/zinc/91/73/58/377917358.db2.gz WVEWEFSBIFFLEF-OAHLLOKOSA-N 0 3 298.434 3.079 50 0 CGAAHN CC(C)(C)c1csc(CC2CCN(CCCO)CC2)n1 ZINC000585116438 378396941 /nfs/dbraw/zinc/39/69/41/378396941.db2.gz VSAJWLJJGZULGH-UHFFFAOYSA-N 0 3 296.480 3.078 50 0 CGAAHN Cc1ncccc1CNCc1cc2ccccc2[nH]1 ZINC000348795394 379057378 /nfs/dbraw/zinc/05/73/78/379057378.db2.gz HYWCMLVGUYDTBW-UHFFFAOYSA-N 0 3 251.333 3.161 50 0 CGAAHN Cc1cc(C)cc([C@H](O)CNCc2ccc3c[nH]nc3c2)c1 ZINC000282883016 380007020 /nfs/dbraw/zinc/00/70/20/380007020.db2.gz CXHPBEYOYSQZRN-GOSISDBHSA-N 0 3 295.386 3.003 50 0 CGAAHN C[C@H](c1ccc(Cl)cc1)N1CCC[C@@H](c2nnc[nH]2)C1 ZINC000257365124 542354652 /nfs/dbraw/zinc/35/46/52/542354652.db2.gz OEHZBBYFDTUIEI-DGCLKSJQSA-N 0 3 290.798 3.399 50 0 CGAAHN c1cc(C2CCN(Cc3ccc4c(c3)OCO4)CC2)ccn1 ZINC000072420102 285432787 /nfs/dbraw/zinc/43/27/87/285432787.db2.gz QTXMQHPWPDHGCP-UHFFFAOYSA-N 0 3 296.370 3.190 50 0 CGAAHN Cc1csc(N2C(=N)SC(c3ccccc3)C2=O)n1 ZINC000005001312 391922845 /nfs/dbraw/zinc/92/28/45/391922845.db2.gz HMHYXNNYDPWSAE-SNVBAGLBSA-N 0 3 289.385 3.207 50 0 CGAAHN CN(CCC1(O)CCCC1)Cc1cc2ccccc2[nH]1 ZINC000670440546 543154427 /nfs/dbraw/zinc/15/44/27/543154427.db2.gz KXAMEXZEVTVFMC-UHFFFAOYSA-N 0 3 272.392 3.295 50 0 CGAAHN CN(Cc1cccc(F)c1C(F)(F)F)CC(C)(C)CO ZINC000670469282 543156364 /nfs/dbraw/zinc/15/63/64/543156364.db2.gz XJCWKOAPDOOWIO-UHFFFAOYSA-N 0 3 293.304 3.295 50 0 CGAAHN Cc1cccc([C@H]2CCCN(Cc3cnc(C)cn3)C2)c1 ZINC000670462520 543156849 /nfs/dbraw/zinc/15/68/49/543156849.db2.gz ZZEJHAXZNDBVDZ-KRWDZBQOSA-N 0 3 281.403 3.473 50 0 CGAAHN CC[C@H](C)c1ccc(OCCCN2CCN(C)CC2)cc1 ZINC000020059621 397604860 /nfs/dbraw/zinc/60/48/60/397604860.db2.gz GKPDODWZETYLMS-INIZCTEOSA-N 0 3 290.451 3.216 50 0 CGAAHN CCCNC(=O)c1cccc(CNCc2ccccc2C)c1 ZINC000047794348 397635310 /nfs/dbraw/zinc/63/53/10/397635310.db2.gz ZZDRQRDOUOBQIK-UHFFFAOYSA-N 0 3 296.414 3.425 50 0 CGAAHN CCCCCOc1ccc([C@H](N)CC(=O)OCC)cc1 ZINC000004237691 169946695 /nfs/dbraw/zinc/94/66/95/169946695.db2.gz RYEWPPLPDBQYHE-OAHLLOKOSA-N 0 3 279.380 3.209 50 0 CGAAHN CN(C)CCOC(=O)Nc1c(Cl)cccc1Cl ZINC000004794714 170018416 /nfs/dbraw/zinc/01/84/16/170018416.db2.gz KUTMPYBJYXAEKE-UHFFFAOYSA-N 0 3 277.151 3.104 50 0 CGAAHN Brc1cccc(OCCN2CCCCC2)c1 ZINC000004845476 170029645 /nfs/dbraw/zinc/02/96/45/170029645.db2.gz LMNDGPZXPGPUTC-UHFFFAOYSA-N 0 3 284.197 3.314 50 0 CGAAHN CN(C)CCOc1ccc(Cl)cc1Br ZINC000004913545 170040274 /nfs/dbraw/zinc/04/02/74/170040274.db2.gz ZDMWWCLUEBRDRU-UHFFFAOYSA-N 0 3 278.577 3.043 50 0 CGAAHN O=Cc1cccn1C1CCN(Cc2ccccc2)CC1 ZINC000005736728 170135222 /nfs/dbraw/zinc/13/52/22/170135222.db2.gz DYCKCLZHSRKOSL-UHFFFAOYSA-N 0 3 268.360 3.138 50 0 CGAAHN CCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007262391 170274553 /nfs/dbraw/zinc/27/45/53/170274553.db2.gz KOZWJPJLWKNFKM-GFCCVEGCSA-N 0 3 259.349 3.500 50 0 CGAAHN COc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1 ZINC000008582825 170342287 /nfs/dbraw/zinc/34/22/87/170342287.db2.gz ZHIQWIVLBVTWOQ-UHFFFAOYSA-N 0 3 286.375 3.243 50 0 biogenic CGAAHN CCCCN(C)Cc1c(C)[nH]c2ccc(OC)cc2c1=O ZINC000008660990 170344438 /nfs/dbraw/zinc/34/44/38/170344438.db2.gz WKUPYLBBQIDAMN-UHFFFAOYSA-N 0 3 288.391 3.489 50 0 CGAAHN CCC[C@H](C)NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062829 170362825 /nfs/dbraw/zinc/36/28/25/170362825.db2.gz HGEBMYILQUULGF-HNNXBMFYSA-N 0 3 288.435 3.203 50 0 CGAAHN CCCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010325898 170404290 /nfs/dbraw/zinc/40/42/90/170404290.db2.gz BEMVFKPWSCJACI-UHFFFAOYSA-N 0 3 274.408 3.202 50 0 CGAAHN Fc1ccccc1CCNCc1cnn(-c2ccccc2)c1 ZINC000020827383 171274072 /nfs/dbraw/zinc/27/40/72/171274072.db2.gz NKMHHOCYSKCIMB-UHFFFAOYSA-N 0 3 295.361 3.344 50 0 CGAAHN Fc1ccccc1CN1c2ccccc2N2CCN=C12 ZINC000020890242 171278179 /nfs/dbraw/zinc/27/81/79/171278179.db2.gz DWKHQOKZNORSLJ-UHFFFAOYSA-N 0 3 267.307 3.022 50 0 CGAAHN COc1cc(CN[C@H](C)[C@H]2CCCO2)cc(Cl)c1OC ZINC000035273739 172094261 /nfs/dbraw/zinc/09/42/61/172094261.db2.gz FJQIOBOKGARUKG-ZWNOBZJWSA-N 0 3 299.798 3.014 50 0 CGAAHN C[C@@H](NC[C@H]1CCCOC1)c1ccccc1Cl ZINC000038043585 174050972 /nfs/dbraw/zinc/05/09/72/174050972.db2.gz PNPBDHFNNWNTJN-VXGBXAGGSA-N 0 3 253.773 3.417 50 0 CGAAHN CC(C)(c1ccccc1)c1ccc(OC2CNC2)cc1 ZINC000042769984 174870816 /nfs/dbraw/zinc/87/08/16/174870816.db2.gz YKGBYYUZXBPJMU-UHFFFAOYSA-N 0 3 267.372 3.363 50 0 CGAAHN CCOC(=O)[C@H](c1ccccc1C)N1CCCCC1 ZINC000044124483 175143883 /nfs/dbraw/zinc/14/38/83/175143883.db2.gz VBVKSFPTKAEQMI-HNNXBMFYSA-N 0 3 261.365 3.085 50 0 CGAAHN C[C@@H](CNC(=O)c1sc2ccccc2c1Cl)N(C)C ZINC000046275365 175395630 /nfs/dbraw/zinc/39/56/30/175395630.db2.gz GVESXSAVWWILLL-VIFPVBQESA-N 0 3 296.823 3.235 50 0 CGAAHN C[C@@H](NC(=O)C(C)(C)N)c1ccc(-c2ccccc2)cc1 ZINC000071419537 176160977 /nfs/dbraw/zinc/16/09/77/176160977.db2.gz WAIXKFNUBCYZEM-CYBMUJFWSA-N 0 3 282.387 3.268 50 0 CGAAHN COc1c(C)cc(CNCc2ccc(N(C)C)nc2)cc1C ZINC000071825209 176271670 /nfs/dbraw/zinc/27/16/70/176271670.db2.gz LGFBTZBCHYSCCO-UHFFFAOYSA-N 0 3 299.418 3.063 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2cscn2)C1 ZINC000071857563 176278835 /nfs/dbraw/zinc/27/88/35/176278835.db2.gz KTSBNYMMGPYILQ-ZFWWWQNUSA-N 0 3 287.432 3.068 50 0 CGAAHN c1cc(CN2CCC(OCc3cccnc3)CC2)cs1 ZINC000072140354 176323725 /nfs/dbraw/zinc/32/37/25/176323725.db2.gz YMQWFVJOHKLCIL-UHFFFAOYSA-N 0 3 288.416 3.324 50 0 CGAAHN c1cc2ccc(N[C@H]3CCN(Cc4ccccc4)C3)nc2[nH]1 ZINC000072152150 176327610 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297.402 3.023 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)o1 ZINC000090802457 370069790 /nfs/dbraw/zinc/06/97/90/370069790.db2.gz WJYVHESVGMNIEM-ZIAGYGMSSA-N 0 3 285.391 3.167 50 0 CGAAHN Cn1ccnc1C[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000090004135 370053580 /nfs/dbraw/zinc/05/35/80/370053580.db2.gz PWWYTHCXXKBHQX-OAHLLOKOSA-N 0 3 287.382 3.014 50 0 CGAAHN CCOC[C@H]1CCN(C/C=C/c2ccc(F)cc2)C1 ZINC000093839163 370163298 /nfs/dbraw/zinc/16/32/98/370163298.db2.gz RMCNNUXQNVDKJA-BWPKMQGJSA-N 0 3 263.356 3.197 50 0 CGAAHN CN(C)[C@@H]1CCCN(C(=O)c2ccc3sccc3c2)C1 ZINC000095415173 370185256 /nfs/dbraw/zinc/18/52/56/370185256.db2.gz AVJKNJJJRSHBHX-CQSZACIVSA-N 0 3 288.416 3.068 50 0 CGAAHN Cc1cc(Cl)cc(C)c1NC(=O)N1CCCN(C)CC1 ZINC000097052290 370221145 /nfs/dbraw/zinc/22/11/45/370221145.db2.gz BTCOVWHUAONFOA-UHFFFAOYSA-N 0 3 295.814 3.126 50 0 CGAAHN Cc1nnc(CN[C@H](Cc2ccc(F)cc2)C(C)C)s1 ZINC000097236447 370236596 /nfs/dbraw/zinc/23/65/96/370236596.db2.gz WYNFOTHVTLFXTI-CQSZACIVSA-N 0 3 293.411 3.343 50 0 CGAAHN COc1cccc(F)c1[C@@H](C)NCCCc1c[nH]nc1C ZINC000095420035 370186873 /nfs/dbraw/zinc/18/68/73/370186873.db2.gz GGQFCHVENVOWAH-GFCCVEGCSA-N 0 3 291.370 3.149 50 0 CGAAHN Cc1ccc([C@@H](C)NC[C@H](O)c2ccco2)cc1C ZINC000095419722 370187187 /nfs/dbraw/zinc/18/71/87/370187187.db2.gz YBRGSHZTSUGEIC-HIFRSBDPSA-N 0 3 259.349 3.281 50 0 CGAAHN C[C@H](NC[C@@H]1CC(=O)Nc2ccccc21)c1ccco1 ZINC000095423602 370189702 /nfs/dbraw/zinc/18/97/02/370189702.db2.gz LRAGPLOFCFKBFW-RYUDHWBXSA-N 0 3 270.332 3.056 50 0 CGAAHN Cc1ncsc1CN[C@H](C)C[C@H](O)c1cccs1 ZINC000095448932 370195407 /nfs/dbraw/zinc/19/54/07/370195407.db2.gz SNWVKMPOUHWWDZ-KOLCDFICSA-N 0 3 282.434 3.115 50 0 CGAAHN C[C@@H](C(=O)N1CCCCCC1)N1CCCC(C)(C)CC1 ZINC000170639836 372645615 /nfs/dbraw/zinc/64/56/15/372645615.db2.gz PPZAAINAXUHDBQ-HNNXBMFYSA-N 0 3 280.456 3.290 50 0 CGAAHN CN(C)Cc1cccc(C(=O)NCC[C@@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000299755280 373610265 /nfs/dbraw/zinc/61/02/65/373610265.db2.gz FNDZNJWYWFYXGL-HYVNUMGLSA-N 0 3 298.430 3.080 50 0 CGAAHN Cc1noc(C)c1CN(C)[C@H](C)Cc1ccsc1 ZINC000081599723 541926518 /nfs/dbraw/zinc/92/65/18/541926518.db2.gz UXDOHWFSWHTFBK-SNVBAGLBSA-N 0 3 264.394 3.416 50 0 CGAAHN COc1ccc([C@@H](C)NCc2ccc(F)c(CO)c2)cc1 ZINC000090779507 541963609 /nfs/dbraw/zinc/96/36/09/541963609.db2.gz CVVUPWNUKFYQPM-GFCCVEGCSA-N 0 3 289.350 3.177 50 0 CGAAHN CC[C@@H](c1ccc(F)cc1)N1CCC[C@@H](CCC(N)=O)C1 ZINC000195530601 376112167 /nfs/dbraw/zinc/11/21/67/376112167.db2.gz SUUXUWYCFMUDLT-BBRMVZONSA-N 0 3 292.398 3.254 50 0 CGAAHN Cc1c2cc(C)ccc2oc1CN1CCN(C)[C@H](C)C1 ZINC000216050243 376156331 /nfs/dbraw/zinc/15/63/31/376156331.db2.gz CLGCXEHNQYUHQE-CYBMUJFWSA-N 0 3 272.392 3.186 50 0 CGAAHN Cc1nc(CN2CCCC[C@@H]2CCc2ccc(O)cc2)c[nH]1 ZINC000216425228 376162651 /nfs/dbraw/zinc/16/26/51/376162651.db2.gz GCWUFCPSZXVWTH-QGZVFWFLSA-N 0 3 299.418 3.411 50 0 CGAAHN CCCc1ccc(CN2CCC(c3cc[nH]n3)CC2)o1 ZINC000216350306 376163962 /nfs/dbraw/zinc/16/39/62/376163962.db2.gz IOSUSKRCGFKZGD-UHFFFAOYSA-N 0 3 273.380 3.335 50 0 CGAAHN CCn1cnnc1CN[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000222036041 376227281 /nfs/dbraw/zinc/22/72/81/376227281.db2.gz ODYBYSUUFKVNGI-CVEARBPZSA-N 0 3 284.407 3.114 50 0 CGAAHN CC(=O)Nc1cccc2c1CCN(CCCCCF)C2 ZINC000225465949 376311039 /nfs/dbraw/zinc/31/10/39/376311039.db2.gz NUCFMSGHZGACQT-UHFFFAOYSA-N 0 3 278.371 3.143 50 0 CGAAHN CCN(Cc1cccc(Cl)c1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000225468346 376313545 /nfs/dbraw/zinc/31/35/45/376313545.db2.gz MQKZMEYFRFKSJV-CQSZACIVSA-N 0 3 293.794 3.258 50 0 CGAAHN COCC[C@@H]1CCCCN1Cc1nc2ccc(C)cc2[nH]1 ZINC000244899462 376799337 /nfs/dbraw/zinc/79/93/37/376799337.db2.gz ZKINPJRVIPRYOZ-AWEZNQCLSA-N 0 3 287.407 3.262 50 0 CGAAHN CN(Cc1cncn1Cc1ccccc1)CC1CCC1 ZINC000244882895 376799593 /nfs/dbraw/zinc/79/95/93/376799593.db2.gz YBDPNRLUSLFFPB-UHFFFAOYSA-N 0 3 269.392 3.163 50 0 CGAAHN C[C@H](O)CC(C)(C)CN[C@@H]1CCCc2occc21 ZINC000170088916 542179423 /nfs/dbraw/zinc/17/94/23/542179423.db2.gz HISUJKSCOSGBHZ-WCQYABFASA-N 0 3 251.370 3.044 50 0 CGAAHN COc1cc([C@@H](C)NC[C@@H](C)c2nccs2)ccn1 ZINC000252488963 377630286 /nfs/dbraw/zinc/63/02/86/377630286.db2.gz JCYQRLZKOKPNKB-GHMZBOCLSA-N 0 3 277.393 3.001 50 0 CGAAHN Cc1nccn1CCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000253369871 377687098 /nfs/dbraw/zinc/68/70/98/377687098.db2.gz JGJFVNHVMBJDEL-CRAIPNDOSA-N 0 3 299.418 3.044 50 0 CGAAHN Cc1cnc(C2CN([C@@H](C)C(C)C)C2)n1Cc1cccnc1 ZINC000575555150 377917396 /nfs/dbraw/zinc/91/73/96/377917396.db2.gz WVEWEFSBIFFLEF-HNNXBMFYSA-N 0 3 298.434 3.079 50 0 CGAAHN CCOC(=O)[C@H]1CCCCN1C1CCC(CC)CC1 ZINC000023280888 391946452 /nfs/dbraw/zinc/94/64/52/391946452.db2.gz LFFDNVDWDYHKCY-YMAMQOFZSA-N 0 3 267.413 3.373 50 0 CGAAHN C[C@H](NCc1ccccc1)C(=O)Nc1cccc(Cl)c1 ZINC000058163311 392112840 /nfs/dbraw/zinc/11/28/40/392112840.db2.gz BIVRYKMNSYIJCI-LBPRGKRZSA-N 0 3 288.778 3.457 50 0 CGAAHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccccc1C(F)(F)F ZINC000095421178 392243185 /nfs/dbraw/zinc/24/31/85/392243185.db2.gz KBJTZDYXEUUTAZ-MNOVXSKESA-N 0 3 298.312 3.036 50 0 CGAAHN CCc1cccc(OCCN2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193993285 392894762 /nfs/dbraw/zinc/89/47/62/392894762.db2.gz SWNCFSOBGKLSTI-INIZCTEOSA-N 0 3 299.418 3.231 50 0 CGAAHN CC(C)N(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CCC1 ZINC000230216953 393024034 /nfs/dbraw/zinc/02/40/34/393024034.db2.gz WAIXOCPFCUJNSN-IJEWVQPXSA-N 0 3 280.456 3.190 50 0 CGAAHN NC(=O)c1csc(CN2CCCC[C@@H]2C2CCC2)c1 ZINC000585089221 542768618 /nfs/dbraw/zinc/76/86/18/542768618.db2.gz HFCSXPSKACCHAS-CQSZACIVSA-N 0 3 278.421 3.002 50 0 CGAAHN Fc1ccc(/C=C/CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091856365 165271567 /nfs/dbraw/zinc/27/15/67/165271567.db2.gz FFCZFXVVVCFKIB-WJGOZPTBSA-N 0 3 293.407 3.045 50 0 CGAAHN CN(CCOc1ccc(F)cc1)Cc1ccccc1 ZINC000004906981 170040059 /nfs/dbraw/zinc/04/00/59/170040059.db2.gz BLOPYCFXBFDHAH-UHFFFAOYSA-N 0 3 259.324 3.337 50 0 CGAAHN Cc1ccsc1CN(CCO)Cc1ccccc1 ZINC000004988770 170049501 /nfs/dbraw/zinc/04/95/01/170049501.db2.gz CKTZJOTXNYULMR-UHFFFAOYSA-N 0 3 261.390 3.051 50 0 CGAAHN Cc1cccc(C)c1OC[C@H](O)CN[C@H](C)c1ccccc1 ZINC000005559752 170113755 /nfs/dbraw/zinc/11/37/55/170113755.db2.gz INACUIBQMCMRKE-SJLPKXTDSA-N 0 3 299.414 3.394 50 0 CGAAHN CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccco2)C1 ZINC000005698968 170130362 /nfs/dbraw/zinc/13/03/62/170130362.db2.gz FIMPJCWBSXAFIG-ZIAGYGMSSA-N 0 3 289.762 3.461 50 0 CGAAHN CCOc1cccc(CNC)c1OCc1ccccc1 ZINC000005906979 170152917 /nfs/dbraw/zinc/15/29/17/170152917.db2.gz HGFLNMHSJCBHED-UHFFFAOYSA-N 0 3 271.360 3.384 50 0 CGAAHN CC[C@@H](C)c1ccc(OCCN2CCN(CC)CC2)cc1 ZINC000020390503 171179747 /nfs/dbraw/zinc/17/97/47/171179747.db2.gz DLXYBNFBIUNOOD-MRXNPFEDSA-N 0 3 290.451 3.216 50 0 CGAAHN COC[C@H]1CCCCN1Cc1cnc(-c2ccccc2)[nH]1 ZINC000020865682 171276678 /nfs/dbraw/zinc/27/66/78/171276678.db2.gz ZKIAFYXCJDVJTD-MRXNPFEDSA-N 0 3 285.391 3.078 50 0 CGAAHN COc1ccc(CNC[C@@H](O)c2ccccc2)cc1Cl ZINC000020928037 171280500 /nfs/dbraw/zinc/28/05/00/171280500.db2.gz RGEKSGSRGHLZBH-OAHLLOKOSA-N 0 3 291.778 3.172 50 0 CGAAHN CCN(CC)C(=O)Oc1cccc([C@H](C)N(C)C)c1 ZINC000033969568 171828338 /nfs/dbraw/zinc/82/83/38/171828338.db2.gz GRLIVEWNSBETGE-LBPRGKRZSA-N 0 3 264.369 3.150 50 0 in-vitro CGAAHN Clc1cc(Cl)cc(CNCCN2CCCC2)c1 ZINC000037423606 173199562 /nfs/dbraw/zinc/19/95/62/173199562.db2.gz RNAWFIUOMITIAJ-UHFFFAOYSA-N 0 3 273.207 3.179 50 0 CGAAHN CS[C@H](C)CCN1CCN(Cc2cccc(C)c2)CC1 ZINC000072138817 176322819 /nfs/dbraw/zinc/32/28/19/176322819.db2.gz CPBWKGIOCMMFPJ-MRXNPFEDSA-N 0 3 292.492 3.254 50 0 CGAAHN c1[nH]nc2c1cccc2CNCc1cc2ccccc2[nH]1 ZINC000072312310 176367394 /nfs/dbraw/zinc/36/73/94/176367394.db2.gz ZIFNVBRERHIVAW-UHFFFAOYSA-N 0 3 276.343 3.334 50 0 CGAAHN CC(C)c1ccccc1OC[C@@H](O)CN1CCC(C)CC1 ZINC000001475837 416444371 /nfs/dbraw/zinc/44/43/71/416444371.db2.gz ZMYPNJFMGYZGEG-INIZCTEOSA-N 0 3 291.435 3.282 50 0 CGAAHN Fc1ccccc1CN1CCN(C2CCCCC2)CC1 ZINC000019842442 274915481 /nfs/dbraw/zinc/91/54/81/274915481.db2.gz UVNNTJVBYMBPSE-UHFFFAOYSA-N 0 3 276.399 3.276 50 0 CGAAHN CC(C)c1ccc([C@@H](C)N2CCC(NC(N)=O)CC2)cc1 ZINC000097086026 278044296 /nfs/dbraw/zinc/04/42/96/278044296.db2.gz NQGOKIWDIAXPMM-CYBMUJFWSA-N 0 3 289.423 3.004 50 0 CGAAHN Cc1cc(CNC[C@@H](O)c2ccco2)ccc1Cl ZINC000096500116 533697268 /nfs/dbraw/zinc/69/72/68/533697268.db2.gz PUFFPVXYUZHSDD-CYBMUJFWSA-N 0 3 265.740 3.065 50 0 CGAAHN Clc1ccc(-c2cc(CNC3CCOCC3)on2)cc1 ZINC000534581346 328311882 /nfs/dbraw/zinc/31/18/82/328311882.db2.gz IVQUCGQCVSIROS-UHFFFAOYSA-N 0 3 292.766 3.264 50 0 CGAAHN CC(C)c1cc(CN[C@@H](C)CN2CCCCCC2)no1 ZINC000534644109 328329805 /nfs/dbraw/zinc/32/98/05/328329805.db2.gz XFCCASYNOHHIAQ-AWEZNQCLSA-N 0 3 279.428 3.152 50 0 CGAAHN CC(C)C(=O)N[C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000252500016 567060214 /nfs/dbraw/zinc/06/02/14/567060214.db2.gz SLYXSMNUCMVICU-MRXNPFEDSA-N 0 3 288.435 3.059 50 0 CGAAHN COc1cc(OC)cc([C@H]2CCN(Cc3ccccn3)C2)c1 ZINC000083403179 570332338 /nfs/dbraw/zinc/33/23/38/570332338.db2.gz LONXQOBQHHLNMJ-AWEZNQCLSA-N 0 3 298.386 3.088 50 0 CGAAHN COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)NCC2 ZINC000004832312 619215282 /nfs/dbraw/zinc/21/52/82/619215282.db2.gz MAHCADRFWTWORG-GOSISDBHSA-N 0 3 283.371 3.247 50 0 CGAAHN Fc1ccc(F)c(CN[C@@H]2CCN(c3ccccc3)C2)c1 ZINC000106475869 619248844 /nfs/dbraw/zinc/24/88/44/619248844.db2.gz DVCZQHSMWXNWQU-OAHLLOKOSA-N 0 3 288.341 3.333 50 0 CGAAHN C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ccns1 ZINC000863984672 629721604 /nfs/dbraw/zinc/72/16/04/629721604.db2.gz YNYIZDSUTPASDS-CHWSQXEVSA-N 0 3 291.420 3.224 50 0 CGAAHN CCOc1ccccc1CN1CCC2(CC[C@@H]2OC)CC1 ZINC000581803760 799675040 /nfs/dbraw/zinc/67/50/40/799675040.db2.gz UJAGQKNMSLPQKT-KRWDZBQOSA-N 0 3 289.419 3.476 50 0 CGAAHN CC[C@@H](C(=O)NC(C)(C)c1ccc(C)cc1)N(C)CC ZINC000822549822 800461525 /nfs/dbraw/zinc/46/15/25/800461525.db2.gz XHVXBYUEIICBKO-HNNXBMFYSA-N 0 3 276.424 3.077 50 0 CGAAHN CC[C@H](C(=O)NCc1cccc2ccccc21)N(C)CC ZINC000822555809 800461654 /nfs/dbraw/zinc/46/16/54/800461654.db2.gz PBOCFELIUNYMOJ-QGZVFWFLSA-N 0 3 284.403 3.186 50 0 CGAAHN CC/C=C(/CN[C@H]1CC(=O)N(CCC)C1)c1ccccc1 ZINC000952873500 800686129 /nfs/dbraw/zinc/68/61/29/800686129.db2.gz ZSGCMVNYIWMZFI-KZRVJCNKSA-N 0 3 286.419 3.081 50 0 CGAAHN CN(CCSCc1ccon1)Cc1ccccc1 ZINC000193636185 529929249 /nfs/dbraw/zinc/92/92/49/529929249.db2.gz MXTHVVZVHRNTPS-UHFFFAOYSA-N 0 3 262.378 3.040 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CNCC2(CO)CC2)o1 ZINC000080247135 345670215 /nfs/dbraw/zinc/67/02/15/345670215.db2.gz HVWWIKFRIMHLKN-UHFFFAOYSA-N 0 3 289.350 3.256 50 0 CGAAHN Cc1cc(Cl)ccc1CNC[C@@H](O)c1ccco1 ZINC000128830530 346043921 /nfs/dbraw/zinc/04/39/21/346043921.db2.gz FYNHBSKZOWNLLR-CYBMUJFWSA-N 0 3 265.740 3.065 50 0 CGAAHN Cc1cc(N[C@H]2CC[C@H](C)C2)cc(N2CCN(C)CC2)c1 ZINC000170608787 346194686 /nfs/dbraw/zinc/19/46/86/346194686.db2.gz QWLSSTXXUSLTKE-HOCLYGCPSA-N 0 3 287.451 3.347 50 0 CGAAHN Cc1n[nH]cc1CCCN[C@H](C)c1cc(F)c(F)c(F)c1 ZINC000089544542 179815134 /nfs/dbraw/zinc/81/51/34/179815134.db2.gz XAYIZGGHRPQJND-SECBINFHSA-N 0 3 297.324 3.419 50 0 CGAAHN COC[C@H](N[C@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717003 180030052 /nfs/dbraw/zinc/03/00/52/180030052.db2.gz ZDZSMFLFMAWAPC-YGRLFVJLSA-N 0 3 276.405 3.372 50 0 CGAAHN CN(Cc1ccccc1OC(F)F)[C@@H]1CCCC[C@@H]1O ZINC000157301249 188308824 /nfs/dbraw/zinc/30/88/24/188308824.db2.gz ZEKXAVXBJRAYEW-OLZOCXBDSA-N 0 3 285.334 3.023 50 0 CGAAHN C[C@H](NC1Cc2ccccc2C1)c1cncc(F)c1 ZINC000182274700 189318700 /nfs/dbraw/zinc/31/87/00/189318700.db2.gz RVTFCMLUKLAGJP-NSHDSACASA-N 0 3 256.324 3.039 50 0 CGAAHN C[C@@H](Cc1ccccc1[S@](=O)c1ccccc1)N(C)C ZINC000000347808 368345861 /nfs/dbraw/zinc/34/58/61/368345861.db2.gz FIQXYWPZJOQLQV-XOBRGWDASA-N 0 3 287.428 3.346 50 0 CGAAHN O[C@H](CN1CCc2ccccc2C1)c1c[nH]c2ccccc21 ZINC000000491353 368378926 /nfs/dbraw/zinc/37/89/26/368378926.db2.gz FWTCRBBVXRGZOA-LJQANCHMSA-N 0 3 292.382 3.260 50 0 biogenic CGAAHN Cc1ccc(C)c(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000002686915 368473025 /nfs/dbraw/zinc/47/30/25/368473025.db2.gz CUDWOFARGHVODJ-AEFFLSMTSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1C ZINC000004173885 368534742 /nfs/dbraw/zinc/53/47/42/368534742.db2.gz UBWDAHBWWAEZLS-FUHWJXTLSA-N 0 3 299.414 3.394 50 0 CGAAHN CCOCCCN[C@H](c1ccccc1)c1ccncc1 ZINC000004537819 368549906 /nfs/dbraw/zinc/54/99/06/368549906.db2.gz NHRQXELOVFXXSD-QGZVFWFLSA-N 0 3 270.376 3.187 50 0 CGAAHN NC(=O)c1ccc(CN2CCC[C@@H]2c2ccccc2)cc1 ZINC000010340737 368579715 /nfs/dbraw/zinc/57/97/15/368579715.db2.gz UEDYDXJGEXYKCY-QGZVFWFLSA-N 0 3 280.371 3.123 50 0 CGAAHN CC(C)N(Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000011035742 368588879 /nfs/dbraw/zinc/58/88/79/368588879.db2.gz UJCGLBWRRKGZFR-UHFFFAOYSA-N 0 3 282.387 3.196 50 0 CGAAHN O=C(C[C@H]1C=CCC1)NC1CCN(Cc2ccccc2)CC1 ZINC000013012733 368640676 /nfs/dbraw/zinc/64/06/76/368640676.db2.gz AKFCOPBALIKPEG-INIZCTEOSA-N 0 3 298.430 3.124 50 0 CGAAHN Cc1cccc(NC(=O)[C@H](C)N2C[C@H](C)C[C@H](C)C2)c1 ZINC000013145648 368644804 /nfs/dbraw/zinc/64/48/04/368644804.db2.gz OVSBFFSOQWDSFO-ZNMIVQPWSA-N 0 3 274.408 3.300 50 0 CGAAHN COC(=O)CC1CCN(Cc2ccccc2Cl)CC1 ZINC000015423824 368695431 /nfs/dbraw/zinc/69/54/31/368695431.db2.gz MTIDPPCFDAZMES-UHFFFAOYSA-N 0 3 281.783 3.115 50 0 CGAAHN CCN(CCN(C)C)Cc1cccc(Cl)c1Cl ZINC000019632716 368758926 /nfs/dbraw/zinc/75/89/26/368758926.db2.gz SLAFWKSYSITCAU-UHFFFAOYSA-N 0 3 275.223 3.377 50 0 CGAAHN COc1ccc(OC)c(CNCCc2cccc(F)c2)c1 ZINC000019720487 368760104 /nfs/dbraw/zinc/76/01/04/368760104.db2.gz LZGBJGQXHAFUSA-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN COc1ccccc1CCNCc1c(F)cccc1F ZINC000019720561 368760250 /nfs/dbraw/zinc/76/02/50/368760250.db2.gz NUKKWKBMQIIKCE-UHFFFAOYSA-N 0 3 277.314 3.306 50 0 CGAAHN COc1cccc(CCNCc2ccccc2F)c1 ZINC000019720999 368761703 /nfs/dbraw/zinc/76/17/03/368761703.db2.gz WKOKOJXSAOMUPO-UHFFFAOYSA-N 0 3 259.324 3.167 50 0 CGAAHN CCCCOc1ccccc1CNC[C@@H]1CCCO1 ZINC000019737899 368763303 /nfs/dbraw/zinc/76/33/03/368763303.db2.gz BYRLNKSVOHOAFW-HNNXBMFYSA-N 0 3 263.381 3.134 50 0 CGAAHN Clc1ccccc1CNCCc1ccc2c(c1)OCO2 ZINC000019787242 368765456 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IEQYFRYZYRUCDV-UHFFFAOYSA-N 0 3 285.322 3.115 50 0 CGAAHN C[C@@H](NC[C@@H]1CCCOC1)c1ccccc1Cl ZINC000038043583 174050500 /nfs/dbraw/zinc/05/05/00/174050500.db2.gz PNPBDHFNNWNTJN-NEPJUHHUSA-N 0 3 253.773 3.417 50 0 CGAAHN C[C@@H]1CCCCN1CCNC(=O)Nc1cccc(Cl)c1 ZINC000040145626 174195045 /nfs/dbraw/zinc/19/50/45/174195045.db2.gz XNRCLJYBYJIUID-GFCCVEGCSA-N 0 3 295.814 3.336 50 0 CGAAHN C[C@H](CCN1CCCn2cncc2C1)c1ccccc1 ZINC000072143774 176324313 /nfs/dbraw/zinc/32/43/13/176324313.db2.gz HNTCWAOUWAITFS-OAHLLOKOSA-N 0 3 269.392 3.283 50 0 CGAAHN C[C@@H]1Cc2ncn(Cc3ccc4cn[nH]c4c3)c2C[C@@H]1C ZINC000660672594 419180910 /nfs/dbraw/zinc/18/09/10/419180910.db2.gz QHCBTSNPFYCOTK-NEPJUHHUSA-N 0 3 280.375 3.179 50 0 CGAAHN CC(=O)Nc1cccc(CN[C@@H](C)C(C)(C)C(F)F)c1 ZINC000657837260 419382164 /nfs/dbraw/zinc/38/21/64/419382164.db2.gz RTSQDJOFSMZNDZ-JTQLQIEISA-N 0 3 284.350 3.414 50 0 CGAAHN C[C@@H](O)[C@@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000069703411 274274420 /nfs/dbraw/zinc/27/44/20/274274420.db2.gz PHSYIYILYOJWGI-WBMJQRKESA-N 0 3 288.366 3.109 50 0 CGAAHN C[C@H](NCC[C@@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910197 289561197 /nfs/dbraw/zinc/56/11/97/289561197.db2.gz WJRSGSYBZSRAQR-QLFBSQMISA-N 0 3 287.407 3.190 50 0 CGAAHN Cc1ccc([C@H](C)NCC[S@](=O)C(C)(C)C)s1 ZINC000096477835 329526774 /nfs/dbraw/zinc/52/67/74/329526774.db2.gz GVMNVSAEBYULPY-APPDUMDISA-N 0 3 273.467 3.254 50 0 CGAAHN Cc1nc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c(C)s1 ZINC000096493501 534392232 /nfs/dbraw/zinc/39/22/32/534392232.db2.gz SGZQGEBNKIBDOQ-CFVMTHIKSA-N 0 3 292.448 3.197 50 0 CGAAHN CCC[N@@H+]1CCC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000952990966 614658714 /nfs/dbraw/zinc/65/87/14/614658714.db2.gz NQBBCKVHHGDGJH-CYBMUJFWSA-N 0 3 282.815 3.010 50 0 CGAAHN CCC[N@H+]1CCC[C@@H](NCc2cccc([O-])c2Cl)C1 ZINC000952990966 614658716 /nfs/dbraw/zinc/65/87/16/614658716.db2.gz NQBBCKVHHGDGJH-CYBMUJFWSA-N 0 3 282.815 3.010 50 0 CGAAHN C[C@H](NC1CSCCSC1)c1cc(F)cc(F)c1 ZINC001506400022 937989525 /nfs/dbraw/zinc/98/95/25/937989525.db2.gz GWBAANXIBMYKFS-VIFPVBQESA-N 0 3 289.416 3.464 50 0 CGAAHN c1cc(CN[C@@H]2CCO[C@@H]2c2ccccc2)cs1 ZINC000096447513 230374929 /nfs/dbraw/zinc/37/49/29/230374929.db2.gz CEMPNKUGXBIHIH-HUUCEWRRSA-N 0 3 259.374 3.368 50 0 CGAAHN C[C@@H](CO)N[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000096493421 230383273 /nfs/dbraw/zinc/38/32/73/230383273.db2.gz OINYDUKDAGCZAL-IUCAKERBSA-N 0 3 253.729 3.118 50 0 CGAAHN Cc1cc(NC(=O)[C@@H](N[C@@H](C)C2CC2)c2ccccc2)no1 ZINC000095946726 185038263 /nfs/dbraw/zinc/03/82/63/185038263.db2.gz YQNVPTUHWQTLPX-LRDDRELGSA-N 0 3 299.374 3.051 50 0 CGAAHN Cc1ncccc1CN[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095978207 185051881 /nfs/dbraw/zinc/05/18/81/185051881.db2.gz OMLSGFXBIOKDMZ-SJKOYZFVSA-N 0 3 288.366 3.131 50 0 CGAAHN Cc1nn(C)c(Cl)c1CN[C@H]1CCO[C@H](CC(C)C)C1 ZINC000095991122 185058687 /nfs/dbraw/zinc/05/86/87/185058687.db2.gz VGEGFDUJGRNSOG-QWHCGFSZSA-N 0 3 299.846 3.065 50 0 CGAAHN CCOc1cccc(CNCCNc2ccccc2)c1 ZINC000075108028 345495369 /nfs/dbraw/zinc/49/53/69/345495369.db2.gz NKTDSVXRDYPJMX-UHFFFAOYSA-N 0 3 270.376 3.287 50 0 CGAAHN Cc1ncccc1CNC[C@](C)(O)c1ccccc1Cl ZINC000097378279 345908817 /nfs/dbraw/zinc/90/88/17/345908817.db2.gz BBRDCUHIDQWGJX-INIZCTEOSA-N 0 3 290.794 3.041 50 0 CGAAHN Cc1nccn1C[C@H](C)NC1(c2cc(F)cc(F)c2)CC1 ZINC000584895427 346723115 /nfs/dbraw/zinc/72/31/15/346723115.db2.gz XXFYMVOLHGLWMH-NSHDSACASA-N 0 3 291.345 3.137 50 0 CGAAHN Cc1cccnc1CN1C[C@H]2CC[C@H](CN2CC2CCC2)C1 ZINC000091425705 180151929 /nfs/dbraw/zinc/15/19/29/180151929.db2.gz WCRKICDEXVXLEW-ZWKOTPCHSA-N 0 3 299.462 3.086 50 0 CGAAHN Oc1cccc(CN2CCC(Nc3ccccc3)CC2)c1 ZINC000092164443 180335760 /nfs/dbraw/zinc/33/57/60/180335760.db2.gz KVIPOSMWRBBXSO-UHFFFAOYSA-N 0 3 282.387 3.469 50 0 CGAAHN c1ccc(N[C@@H]2CCCN(CCc3ccncc3)C2)cc1 ZINC000154894153 188168326 /nfs/dbraw/zinc/16/83/26/188168326.db2.gz WVIIHAQZPVDNQK-GOSISDBHSA-N 0 3 281.403 3.201 50 0 CGAAHN Cc1csc(C2(N[C@@H](C)C3CCOCC3)CCC2)n1 ZINC000170067320 188668042 /nfs/dbraw/zinc/66/80/42/188668042.db2.gz NPYPKTVZTLFVNY-LBPRGKRZSA-N 0 3 280.437 3.235 50 0 CGAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(SC)cc2)C1 ZINC000000236921 368321393 /nfs/dbraw/zinc/32/13/93/368321393.db2.gz BAPJBXNYFMRBNC-CQSZACIVSA-N 0 3 293.432 3.184 50 0 CGAAHN O=C(CCN1CCCCC1)c1ccc(Cl)cc1 ZINC000000296528 368334796 /nfs/dbraw/zinc/33/47/96/368334796.db2.gz XTKSQGRNAYNEOE-UHFFFAOYSA-N 0 3 251.757 3.399 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCC3)O2)[C@@H](C)C1 ZINC000004094086 368529973 /nfs/dbraw/zinc/52/99/73/368529973.db2.gz FTLAMGAOAHIHBM-QUSNUVHPSA-N 0 3 279.424 3.062 50 0 CGAAHN Cc1cccc(OC[C@@H](O)CN[C@H](C)c2ccccc2C)c1 ZINC000003395561 368506220 /nfs/dbraw/zinc/50/62/20/368506220.db2.gz HZLNHHAVICFFEX-SJORKVTESA-N 0 3 299.414 3.394 50 0 CGAAHN CN(C)CCOc1cccc(Oc2ccccc2)c1 ZINC000016247832 368710461 /nfs/dbraw/zinc/71/04/61/368710461.db2.gz MIFKOTQKNQKXNI-UHFFFAOYSA-N 0 3 257.333 3.419 50 0 CGAAHN COc1ccc(CNCCc2ccccc2F)c(OC)c1 ZINC000019720589 368760860 /nfs/dbraw/zinc/76/08/60/368760860.db2.gz BDIVPIAMPKWPBO-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN CC[C@@H](C)Oc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000019737911 368762666 /nfs/dbraw/zinc/76/26/66/368762666.db2.gz BFQINCRRDWDXIZ-CJNGLKHVSA-N 0 3 263.381 3.133 50 0 CGAAHN CN1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000019537008 368757189 /nfs/dbraw/zinc/75/71/89/368757189.db2.gz XFOBWBALQPDRKD-UHFFFAOYSA-N 0 3 266.388 3.101 50 0 CGAAHN Clc1cccc(CN[C@H]2COc3ccccc3C2)c1 ZINC000023542447 368822035 /nfs/dbraw/zinc/82/20/35/368822035.db2.gz XCCOKWREMIGIOM-OAHLLOKOSA-N 0 3 273.763 3.433 50 0 CGAAHN C[C@H](c1ccccc1)N1CCN(c2ccc(O)cc2)CC1 ZINC000023652685 368823284 /nfs/dbraw/zinc/82/32/84/368823284.db2.gz AUAAKIIURLFASQ-OAHLLOKOSA-N 0 3 282.387 3.275 50 0 CGAAHN Clc1ccc(CN[C@@H]2CN3CCC2CC3)c(Cl)c1 ZINC000019946297 368787784 /nfs/dbraw/zinc/78/77/84/368787784.db2.gz WUCXPKJDXTYMPE-CQSZACIVSA-N 0 3 285.218 3.177 50 0 CGAAHN CCN(CC)[C@@H](CNC(=O)c1ccoc1)c1ccccc1 ZINC000029167288 368891836 /nfs/dbraw/zinc/89/18/36/368891836.db2.gz LTNXQGHSZHOKEF-INIZCTEOSA-N 0 3 286.375 3.093 50 0 CGAAHN CC(C)[C@H](C)N(C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000030148431 368900898 /nfs/dbraw/zinc/90/08/98/368900898.db2.gz CMTGRYLMQHUEJU-JTQLQIEISA-N 0 3 286.778 3.394 50 0 CGAAHN Fc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1 ZINC000032735843 368942807 /nfs/dbraw/zinc/94/28/07/368942807.db2.gz WGTMYFXJWGTKKO-UHFFFAOYSA-N 0 3 281.334 3.301 50 0 CGAAHN Cc1occc1C(=O)Nc1cccc(CN2CCCC2)c1 ZINC000032827458 368946601 /nfs/dbraw/zinc/94/66/01/368946601.db2.gz BPRXYBQXGHVMTI-UHFFFAOYSA-N 0 3 284.359 3.436 50 0 CGAAHN O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1 ZINC000036079621 369007396 /nfs/dbraw/zinc/00/73/96/369007396.db2.gz LINJRQQOAPEZPI-GOSISDBHSA-N 0 3 294.398 3.254 50 0 CGAAHN Cc1ccc(CN(CC(C)C)C[C@H](O)COCC(C)C)o1 ZINC000036097523 369008413 /nfs/dbraw/zinc/00/84/13/369008413.db2.gz HFFDBLOSBPQUQP-INIZCTEOSA-N 0 3 297.439 3.080 50 0 CGAAHN CC[C@H](C)c1ccc(OC2CNC2)c(Br)c1 ZINC000042769558 369230694 /nfs/dbraw/zinc/23/06/94/369230694.db2.gz LMFHVFDNAPIOQX-VIFPVBQESA-N 0 3 284.197 3.313 50 0 CGAAHN CCOc1ccc(CN(C)C[C@@H]2CCCCO2)cc1 ZINC000042976519 369239310 /nfs/dbraw/zinc/23/93/10/369239310.db2.gz IHXKBQYVVCYEDZ-INIZCTEOSA-N 0 3 263.381 3.086 50 0 CGAAHN OC1CCC(NCc2csc(-c3ccsc3)n2)CC1 ZINC000049021053 369382482 /nfs/dbraw/zinc/38/24/82/369382482.db2.gz OFWSJFKXCJZJSN-UHFFFAOYSA-N 0 3 294.445 3.265 50 0 CGAAHN COc1ccc(CN(C)Cc2ccccc2)cc1F ZINC000057992414 369551305 /nfs/dbraw/zinc/55/13/05/369551305.db2.gz WACUQNFWHBHDKG-UHFFFAOYSA-N 0 3 259.324 3.466 50 0 CGAAHN Cc1cc(-n2nc(C3CC3)nc2C[C@@H]2C=CCC2)ccn1 ZINC000065381734 369670664 /nfs/dbraw/zinc/67/06/64/369670664.db2.gz MOIXCRLGOOJFAA-CYBMUJFWSA-N 0 3 280.375 3.357 50 0 CGAAHN C[C@H](N[C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534842 369763248 /nfs/dbraw/zinc/76/32/48/369763248.db2.gz JYWGIVJNOTYUES-GUYCJALGSA-N 0 3 292.386 3.097 50 0 CGAAHN Fc1cccc(-c2n[nH]c3c2CN(CC2CCC2)CC3)c1 ZINC000067871629 369734151 /nfs/dbraw/zinc/73/41/51/369734151.db2.gz BIDDRIMTXYUKCC-UHFFFAOYSA-N 0 3 285.366 3.374 50 0 CGAAHN CN(C)Cc1csc(CN(C)Cc2ccoc2)c1 ZINC000219278543 376198877 /nfs/dbraw/zinc/19/88/77/376198877.db2.gz GXGZOFNHXMHJDC-UHFFFAOYSA-N 0 3 264.394 3.035 50 0 CGAAHN CCn1cc(CN[C@H]2CCCO[C@H]2c2ccc(C)cc2)cn1 ZINC000072746688 369837355 /nfs/dbraw/zinc/83/73/55/369837355.db2.gz TYVFBOLKDXOCLJ-ROUUACIJSA-N 0 3 299.418 3.221 50 0 CGAAHN CC[C@@H](NCCCn1ccnc1)c1ccc(F)cc1F ZINC000089947843 370052613 /nfs/dbraw/zinc/05/26/13/370052613.db2.gz QJWMAGYXPRWMPE-OAHLLOKOSA-N 0 3 279.334 3.292 50 0 CGAAHN CCOC[C@@H]1CCCN(Cc2ccc(OC)s2)C1 ZINC000093419575 370127910 /nfs/dbraw/zinc/12/79/10/370127910.db2.gz LJWZYZWCEZZTOC-GFCCVEGCSA-N 0 3 269.410 3.005 50 0 CGAAHN CCC(C)(C)[C@H]1CCCN1Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093809429 370160180 /nfs/dbraw/zinc/16/01/80/370160180.db2.gz KQSOBBZOAJREFZ-OAHLLOKOSA-N 0 3 291.439 3.117 50 0 CGAAHN Cc1nccn1CC1CCN(Cc2ccsc2)CC1 ZINC000097394136 370241587 /nfs/dbraw/zinc/24/15/87/370241587.db2.gz AQUXZEFOSNWOTN-UHFFFAOYSA-N 0 3 275.421 3.165 50 0 CGAAHN C[C@H](NC[C@](C)(O)c1cccs1)c1ccccc1F ZINC000095422967 370190254 /nfs/dbraw/zinc/19/02/54/370190254.db2.gz KFDMVZLPCHZXTA-NHYWBVRUSA-N 0 3 279.380 3.446 50 0 CGAAHN Cc1ccc([C@H](C)NCc2ccccc2OCCO)s1 ZINC000095423113 370190300 /nfs/dbraw/zinc/19/03/00/370190300.db2.gz ZIWUEMMFWKCNCE-ZDUSSCGKSA-N 0 3 291.416 3.278 50 0 CGAAHN Cc1ccc(F)c(CN[C@@H](C)C[C@@H](O)c2ccco2)c1 ZINC000095448855 370195233 /nfs/dbraw/zinc/19/52/33/370195233.db2.gz SYKYAWUUHKUQBM-SWLSCSKDSA-N 0 3 277.339 3.329 50 0 CGAAHN CO[C@@H](C)[C@H](C)NCc1cnc(C2CCCC2)s1 ZINC000170087960 372634756 /nfs/dbraw/zinc/63/47/56/372634756.db2.gz WBGSIYVUSORURM-QWRGUYRKSA-N 0 3 268.426 3.314 50 0 CGAAHN C[C@H](NCC[C@H](C)[S@](C)=O)c1cc2ccccc2o1 ZINC000170062278 372635099 /nfs/dbraw/zinc/63/50/99/372635099.db2.gz HYDCJDRJMBQMNG-ZKTNFTSUSA-N 0 3 279.405 3.241 50 0 CGAAHN CC(=O)c1ccc(NC(=O)CCN2CCCC[C@@H]2C)cc1 ZINC000170621841 372642891 /nfs/dbraw/zinc/64/28/91/372642891.db2.gz ZLFWIBYNFALAQH-ZDUSSCGKSA-N 0 3 288.391 3.092 50 0 CGAAHN Cc1c([C@@H]2CCCN2Cc2ccc3c(c2)CCO3)cnn1C ZINC000091967476 541971238 /nfs/dbraw/zinc/97/12/38/541971238.db2.gz ORLOQCSVMNCCMZ-KRWDZBQOSA-N 0 3 297.402 3.001 50 0 CGAAHN Cc1nccn1C[C@@H]1CCCN1c1ccnc2ccccc21 ZINC000192740281 375784798 /nfs/dbraw/zinc/78/47/98/375784798.db2.gz SWXLIANDUVVVFA-HNNXBMFYSA-N 0 3 292.386 3.409 50 0 CGAAHN Cc1ncc(-c2ccc([C@H](C)N(C)C)cc2)nc1C ZINC000215315113 376146804 /nfs/dbraw/zinc/14/68/04/376146804.db2.gz CRYGAYYMUJHIAZ-ZDUSSCGKSA-N 0 3 255.365 3.383 50 0 CGAAHN Cc1nc2ccccc2nc1CN(C)CCC[C@H]1CCCO1 ZINC000215311652 376146849 /nfs/dbraw/zinc/14/68/49/376146849.db2.gz GUTRMXMDBIWCIM-HNNXBMFYSA-N 0 3 299.418 3.329 50 0 CGAAHN CC(C)n1cc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000248714604 377385392 /nfs/dbraw/zinc/38/53/92/377385392.db2.gz KHBKKIATPQCVTG-LCGIIJARSA-N 0 3 289.423 3.072 50 0 CGAAHN COc1ccccc1C(C)(C)NCc1ccc(CO)cc1 ZINC000253426595 377694553 /nfs/dbraw/zinc/69/45/53/377694553.db2.gz YVGCTFHGOMVRMV-UHFFFAOYSA-N 0 3 285.387 3.212 50 0 CGAAHN COC[C@@H](N[C@@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717005 285240472 /nfs/dbraw/zinc/24/04/72/285240472.db2.gz ZDZSMFLFMAWAPC-IINYFYTJSA-N 0 3 276.405 3.372 50 0 CGAAHN CCCC[C@H](CC)[C@@H]1OC[C@H](CN2CCCC2)O1 ZINC000004124582 391918803 /nfs/dbraw/zinc/91/88/03/391918803.db2.gz YGCPCVLTZNXDDJ-SOUVJXGZSA-N 0 3 255.402 3.040 50 0 CGAAHN CC(C)CN(Cc1ccccn1)C[C@H](O)c1ccccc1 ZINC000071912077 392192745 /nfs/dbraw/zinc/19/27/45/392192745.db2.gz YWPVOGLESIBKMA-SFHVURJKSA-N 0 3 284.403 3.273 50 0 CGAAHN CCC[C@@]1(CO)CCN(CCOc2cccc(CC)c2)C1 ZINC000585083935 542768994 /nfs/dbraw/zinc/76/89/94/542768994.db2.gz LDNUZYGRGTUHFE-GOSISDBHSA-N 0 3 291.435 3.112 50 0 CGAAHN CC(C)(O)[C@@H]1CCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670447789 543155847 /nfs/dbraw/zinc/15/58/47/543155847.db2.gz PQMQXUYCZIZANL-LLVKDONJSA-N 0 3 292.810 3.414 50 0 CGAAHN C[C@@H](O)CNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000004842614 170029026 /nfs/dbraw/zinc/02/90/26/170029026.db2.gz HECBAGJYBDITHX-SNVBAGLBSA-N 0 3 265.740 3.070 50 0 CGAAHN O[C@H](COc1cccc2ccccc21)CN1CCCCC1 ZINC000004851838 170030652 /nfs/dbraw/zinc/03/06/52/170030652.db2.gz YIGFKEFULNCVMP-INIZCTEOSA-N 0 3 285.387 3.065 50 0 CGAAHN CN(C)CCOc1ccc(Br)cc1Cl ZINC000004913239 170040484 /nfs/dbraw/zinc/04/04/84/170040484.db2.gz QWKRETJZRQERIO-UHFFFAOYSA-N 0 3 278.577 3.043 50 0 CGAAHN CCCCCC[C@H](CC(=O)NCCN(C)C)c1ccco1 ZINC000005345251 170088249 /nfs/dbraw/zinc/08/82/49/170088249.db2.gz XZZFJLRIFRSTJD-OAHLLOKOSA-N 0 3 294.439 3.402 50 0 CGAAHN COCCn1c(C)cc(CNCc2ccc(C)cc2)c1C ZINC000008395473 170334738 /nfs/dbraw/zinc/33/47/38/170334738.db2.gz ZIPZFRMWZSUHSY-UHFFFAOYSA-N 0 3 286.419 3.350 50 0 CGAAHN CCCCCCNCc1cc(OC)ccc1OC ZINC000021786870 171322676 /nfs/dbraw/zinc/32/26/76/171322676.db2.gz RLNACKQLFWHFBS-UHFFFAOYSA-N 0 3 251.370 3.374 50 0 CGAAHN CCN[C@H](c1ccc(Cl)s1)c1cccnc1 ZINC000035553095 172260252 /nfs/dbraw/zinc/26/02/52/172260252.db2.gz DCNHBMPRIJUYSR-LBPRGKRZSA-N 0 3 252.770 3.495 50 0 CGAAHN CCOC(=O)C[C@@H](N)c1cc(C(F)(F)F)ccc1Cl ZINC000057541782 175598144 /nfs/dbraw/zinc/59/81/44/175598144.db2.gz DRBYREBQTXOEPR-SNVBAGLBSA-N 0 3 295.688 3.312 50 0 CGAAHN Cc1ccc(CN2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000071797314 176265225 /nfs/dbraw/zinc/26/52/25/176265225.db2.gz SHXNCGLJONAIIJ-INIZCTEOSA-N 0 3 255.365 3.066 50 0 CGAAHN Cc1n[nH]cc1CNCCc1ccccc1C(F)(F)F ZINC000071825254 176271866 /nfs/dbraw/zinc/27/18/66/176271866.db2.gz HQLBLFULHNGSOU-UHFFFAOYSA-N 0 3 283.297 3.069 50 0 CGAAHN COCCC[C@H]1CCCN(Cc2cc(OC)ccc2F)C1 ZINC000077287741 177249266 /nfs/dbraw/zinc/24/92/66/177249266.db2.gz BUWWRHBVGTWKSK-CQSZACIVSA-N 0 3 295.398 3.473 50 0 CGAAHN CC(C)c1ccc(OC[C@@H](O)CN2CCC(C)CC2)cc1 ZINC000000127543 276055119 /nfs/dbraw/zinc/05/51/19/276055119.db2.gz DVUSRTQNSVGNMY-KRWDZBQOSA-N 0 3 291.435 3.282 50 0 CGAAHN COc1ccc(Br)cc1[C@@H]1CCCCN1 ZINC000002582640 277870055 /nfs/dbraw/zinc/87/00/55/277870055.db2.gz BJLLFGJZHAQELM-NSHDSACASA-N 0 3 270.170 3.272 50 0 CGAAHN C[C@H](C(=O)C12CC3CC(CC(C3)C1)C2)N1CCCC1 ZINC000003900115 278133376 /nfs/dbraw/zinc/13/33/76/278133376.db2.gz PZOZCKFFWMPIMK-JISDDCRVSA-N 0 3 261.409 3.256 50 0 CGAAHN C[C@@H]1CCCC[C@H]1NCc1nnc(-c2ccccc2)n1C ZINC000162327717 329528704 /nfs/dbraw/zinc/52/87/04/329528704.db2.gz WMHWICNFRGYRJE-UKRRQHHQSA-N 0 3 284.407 3.150 50 0 CGAAHN COc1cccc([C@H]2CCN(Cc3ccncc3)C2)c1OC ZINC000097743215 533792286 /nfs/dbraw/zinc/79/22/86/533792286.db2.gz VDXSSQKZBZVWCW-HNNXBMFYSA-N 0 3 298.386 3.088 50 0 CGAAHN C[C@@H](Cc1ccccc1C(F)(F)F)NCc1ncc[nH]1 ZINC000096500144 534249317 /nfs/dbraw/zinc/24/93/17/534249317.db2.gz PUAQDWKTMQOMSK-JTQLQIEISA-N 0 3 283.297 3.149 50 0 CGAAHN CC1=C(C#N)C(c2ccco2)C2=C(N1)c1ccccc1C2=O ZINC000001407040 567880865 /nfs/dbraw/zinc/88/08/65/567880865.db2.gz XTAMUUBYLVMQNY-OAHLLOKOSA-N 0 3 288.306 3.372 50 0 CGAAHN CN1CCCCC[C@@H]1C(=O)NC1(C)CCCCCC1 ZINC000952871993 800686353 /nfs/dbraw/zinc/68/63/53/800686353.db2.gz GEHCVUOZTACYPA-CQSZACIVSA-N 0 3 266.429 3.090 50 0 CGAAHN CS[C@H]1CCC[C@H]1N(C)Cc1c(C)noc1C ZINC000096441753 230373187 /nfs/dbraw/zinc/37/31/87/230373187.db2.gz CPKVBTLGXYSVEX-OLZOCXBDSA-N 0 3 254.399 3.007 50 0 CGAAHN Cc1c2ccccc2oc1[C@H](C)NCCC1OCCO1 ZINC000126880307 230394512 /nfs/dbraw/zinc/39/45/12/230394512.db2.gz YXFXKVCNTPHEDF-LBPRGKRZSA-N 0 3 275.348 3.155 50 0 CGAAHN Cc1cnn([C@@H]2CCCN(CCC(=O)c3ccccc3)C2)c1 ZINC000182243922 230395888 /nfs/dbraw/zinc/39/58/88/230395888.db2.gz CYJBIXKTXLMHIN-QGZVFWFLSA-N 0 3 297.402 3.101 50 0 CGAAHN Cc1cc([C@H]2CCCN(Cc3sc(C)nc3C)C2)n[nH]1 ZINC000084111298 232177798 /nfs/dbraw/zinc/17/77/98/232177798.db2.gz GSSWRQQTKZPAJJ-ZDUSSCGKSA-N 0 3 290.436 3.171 50 0 CGAAHN Cc1cc([C@H]2CCCN(Cc3sc(C)nc3C)C2)[nH]n1 ZINC000084111298 232177800 /nfs/dbraw/zinc/17/78/00/232177800.db2.gz GSSWRQQTKZPAJJ-ZDUSSCGKSA-N 0 3 290.436 3.171 50 0 CGAAHN C[C@@H]([C@@H](O)c1ccccc1)N(C)CCC(=O)c1ccccc1 ZINC000096026513 345901708 /nfs/dbraw/zinc/90/17/08/345901708.db2.gz ZKLHFLNDKHNOSE-HNAYVOBHSA-N 0 3 297.398 3.313 50 0 CGAAHN CCN(CC)C(=O)OC1CCN(Cc2ccccc2)CC1 ZINC000096026722 345901886 /nfs/dbraw/zinc/90/18/86/345901886.db2.gz CNFHGQHZCNDPJQ-UHFFFAOYSA-N 0 3 290.407 3.129 50 0 CGAAHN Cc1cc(Cl)ccc1CNC[C@H](O)c1ccco1 ZINC000128830307 346043879 /nfs/dbraw/zinc/04/38/79/346043879.db2.gz FYNHBSKZOWNLLR-ZDUSSCGKSA-N 0 3 265.740 3.065 50 0 CGAAHN CC(C)(C)NCc1cccc(Br)c1F ZINC000085476931 179079414 /nfs/dbraw/zinc/07/94/14/179079414.db2.gz XCPUFZDMMVRRTR-UHFFFAOYSA-N 0 3 260.150 3.476 50 0 CGAAHN CS[C@H](C)CN[C@H](C)c1cccc(NC(C)=O)c1 ZINC000090725481 180032591 /nfs/dbraw/zinc/03/25/91/180032591.db2.gz GWEGWPHTQHABPT-GHMZBOCLSA-N 0 3 266.410 3.047 50 0 CGAAHN Cc1cccc(C)c1CNCc1cccc(-c2nc[nH]n2)c1 ZINC000091060617 180092860 /nfs/dbraw/zinc/09/28/60/180092860.db2.gz NWCRZKLUEAGAJA-UHFFFAOYSA-N 0 3 292.386 3.378 50 0 CGAAHN OCc1ccc(C[C@@H]2CCN(Cc3cccc(F)c3)C2)cc1 ZINC000091326906 180135072 /nfs/dbraw/zinc/13/50/72/180135072.db2.gz LCTVBLVZZCHFHP-SFHVURJKSA-N 0 3 299.389 3.383 50 0 CGAAHN C[C@H](c1nc(-c2ccsn2)no1)N1[C@H](C)CC[C@H]1C ZINC000297161509 200102341 /nfs/dbraw/zinc/10/23/41/200102341.db2.gz CUVLBEHHUBOABO-OPRDCNLKSA-N 0 3 278.381 3.127 50 0 CGAAHN C[C@@H](NC(=O)c1cccc(CN(C)C)c1)C1=CCCCC1 ZINC000299795386 200877682 /nfs/dbraw/zinc/87/76/82/200877682.db2.gz KSQXNFMGWZSRCU-CQSZACIVSA-N 0 3 286.419 3.367 50 0 CGAAHN C[C@H](CCc1cccc(F)c1)N(C)Cc1cnccn1 ZINC000183202503 189349566 /nfs/dbraw/zinc/34/95/66/189349566.db2.gz DKRSZHDOYDCDSH-CYBMUJFWSA-N 0 3 273.355 3.069 50 0 CGAAHN COc1ccc(CN2CCC[C@@H](C)C2)c(OC)c1C ZINC000000757372 368393639 /nfs/dbraw/zinc/39/36/39/368393639.db2.gz CPZRJBXSFFVIST-GFCCVEGCSA-N 0 3 263.381 3.244 50 0 CGAAHN COc1ccc2c(CN3CCC(C)CC3)cc(=O)oc2c1 ZINC000002159892 368446973 /nfs/dbraw/zinc/44/69/73/368446973.db2.gz RRWGWDIRCQMTMI-UHFFFAOYSA-N 0 3 287.359 3.034 50 0 biogenic CGAAHN Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCCC1 ZINC000002657946 368472413 /nfs/dbraw/zinc/47/24/13/368472413.db2.gz STAFVYCBOLYFHT-INIZCTEOSA-N 0 3 291.435 3.128 50 0 CGAAHN C[C@H](NCCC(=O)OCc1ccccc1)c1ccccc1 ZINC000002388853 368454269 /nfs/dbraw/zinc/45/42/69/368454269.db2.gz HHRYGVBUJSCNED-HNNXBMFYSA-N 0 3 283.371 3.471 50 0 CGAAHN [O-]c1cc2c(cc1Cl)CC[NH2+]C[C@H]2c1ccccc1 ZINC000002516058 368459015 /nfs/dbraw/zinc/45/90/15/368459015.db2.gz ZVKJSJAERRMBMR-AWEZNQCLSA-N 0 3 273.763 3.323 50 0 in-vivo CGAAHN COc1ccc(CCNCc2ccccc2OC)cc1 ZINC000002573286 368466035 /nfs/dbraw/zinc/46/60/35/368466035.db2.gz CGWKVNLHCUMYNN-UHFFFAOYSA-N 0 3 271.360 3.036 50 0 CGAAHN CNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000004657475 368554561 /nfs/dbraw/zinc/55/45/61/368554561.db2.gz MIKBBCQZKKHJSS-UHFFFAOYSA-N 0 3 275.323 3.133 50 0 CGAAHN O=C(Nc1ccc(Cl)cc1)NC1CCN(C2CC2)CC1 ZINC000010464454 368582378 /nfs/dbraw/zinc/58/23/78/368582378.db2.gz PIPYBIUMIDKIBB-UHFFFAOYSA-N 0 3 293.798 3.088 50 0 CGAAHN c1cc2cc(CNCc3ccc4c(c3)OCO4)ccc2[nH]1 ZINC000014988133 368687150 /nfs/dbraw/zinc/68/71/50/368687150.db2.gz ROINZHMOVOIJGC-UHFFFAOYSA-N 0 3 280.327 3.186 50 0 CGAAHN CN(C)Cc1ccccc1CNC(=O)Nc1ccccc1 ZINC000018174897 368739941 /nfs/dbraw/zinc/73/99/41/368739941.db2.gz NUKVRVQFMPSEIC-UHFFFAOYSA-N 0 3 283.375 3.070 50 0 CGAAHN CCCC(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1 ZINC000027989157 368879580 /nfs/dbraw/zinc/87/95/80/368879580.db2.gz ODFVNQUJIJKMHD-MRXNPFEDSA-N 0 3 274.408 3.048 50 0 CGAAHN CN(C(=O)c1cc2ccccc2s1)C1CCN(C)CC1 ZINC000032736100 368942572 /nfs/dbraw/zinc/94/25/72/368942572.db2.gz FWOIDIMGKUUQCU-UHFFFAOYSA-N 0 3 288.416 3.068 50 0 CGAAHN CCC(CC)C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C ZINC000036091071 369006907 /nfs/dbraw/zinc/00/69/07/369006907.db2.gz JWUVXKQCYZDGAY-INIZCTEOSA-N 0 3 276.424 3.150 50 0 CGAAHN CC[C@@H](C)N(Cc1ccc(C)o1)C[C@H](O)COC(C)(C)C ZINC000036097748 369009461 /nfs/dbraw/zinc/00/94/61/369009461.db2.gz SVAVLMQWJIUPBU-HIFRSBDPSA-N 0 3 297.439 3.365 50 0 CGAAHN COc1ccc(-c2nc3c(s2)[C@@H](N)CCC3)cc1 ZINC000050329839 369435971 /nfs/dbraw/zinc/43/59/71/369435971.db2.gz VLWOIPRIEFHMTF-NSHDSACASA-N 0 3 260.362 3.155 50 0 CGAAHN CCc1ccc(CN(Cc2ccccc2)C[C@@H](C)CO)nc1 ZINC000055099008 369511091 /nfs/dbraw/zinc/51/10/91/369511091.db2.gz UWBLZLPMDZZIHB-MRXNPFEDSA-N 0 3 298.430 3.275 50 0 CGAAHN c1cc(CN(Cc2cccnc2)C[C@H]2CCOC2)cs1 ZINC000055343104 369515364 /nfs/dbraw/zinc/51/53/64/369515364.db2.gz HAUNYQXLOZOHHF-OAHLLOKOSA-N 0 3 288.416 3.182 50 0 CGAAHN COC[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000056908395 369529988 /nfs/dbraw/zinc/52/99/88/369529988.db2.gz KZTNCBPEHXPUTO-LBPRGKRZSA-N 0 3 253.773 3.198 50 0 CGAAHN COC(=O)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000065475258 369679733 /nfs/dbraw/zinc/67/97/33/369679733.db2.gz DEZHRQZAPPXSIR-MRXNPFEDSA-N 0 3 284.359 3.138 50 0 CGAAHN CSCc1ccc(CN[C@@H](C)[C@H](C)n2cccn2)o1 ZINC000069521571 369763583 /nfs/dbraw/zinc/76/35/83/369763583.db2.gz GEZVVEXILAHPCS-RYUDHWBXSA-N 0 3 279.409 3.078 50 0 CGAAHN O[C@@H](C[C@H]1CCCN1Cc1cccnc1)c1ccccc1 ZINC000076074948 369928785 /nfs/dbraw/zinc/92/87/85/369928785.db2.gz HYZIEAALPLEDQV-MSOLQXFVSA-N 0 3 282.387 3.170 50 0 CGAAHN O[C@@H](C[C@@H]1CCCN1Cc1cccnc1)c1ccccc1 ZINC000076074939 369928812 /nfs/dbraw/zinc/92/88/12/369928812.db2.gz HYZIEAALPLEDQV-ROUUACIJSA-N 0 3 282.387 3.170 50 0 CGAAHN Clc1cccc(CN2CCN(c3ccncc3)CC2)c1 ZINC000077471909 369946766 /nfs/dbraw/zinc/94/67/66/369946766.db2.gz HWNYDUNJXGBYMJ-UHFFFAOYSA-N 0 3 287.794 3.057 50 0 CGAAHN CCN(CC)CCNCc1cccc(Cl)c1Cl ZINC000095098698 370176254 /nfs/dbraw/zinc/17/62/54/370176254.db2.gz UAXZEGGEVZBVPA-UHFFFAOYSA-N 0 3 275.223 3.425 50 0 CGAAHN CCCCOc1ccc(C)cc1-c1nc2c([nH]1)CNCC2 ZINC000095353137 370177879 /nfs/dbraw/zinc/17/78/79/370177879.db2.gz HGGWRAKSXVMVMU-UHFFFAOYSA-N 0 3 285.391 3.210 50 0 CGAAHN COc1ccccc1CC(C)(C)N[C@@H](C)c1cnccn1 ZINC000097037713 370215423 /nfs/dbraw/zinc/21/54/23/370215423.db2.gz YOMDUAMGZIBZKZ-ZDUSSCGKSA-N 0 3 285.391 3.157 50 0 CGAAHN CC1=CCC[C@@H](C)[C@@H]1CNCc1nccn1C(F)F ZINC000097098538 370224812 /nfs/dbraw/zinc/22/48/12/370224812.db2.gz FJIWBWQJRIOODX-VXGBXAGGSA-N 0 3 269.339 3.360 50 0 CGAAHN CC1(NCc2sccc2Br)CCOCC1 ZINC000097378269 370240858 /nfs/dbraw/zinc/24/08/58/370240858.db2.gz DQVLIFXZEYZKQN-UHFFFAOYSA-N 0 3 290.226 3.169 50 0 CGAAHN Cc1ccc([C@H](C)NC[C@@H](O)c2ccco2)cc1C ZINC000095419725 370186858 /nfs/dbraw/zinc/18/68/58/370186858.db2.gz YBRGSHZTSUGEIC-DZGCQCFKSA-N 0 3 259.349 3.281 50 0 CGAAHN COc1cc(C(C)=O)ccc1SCC[C@H]1CCCN1C ZINC000095442189 370193916 /nfs/dbraw/zinc/19/39/16/370193916.db2.gz RDIUPIRJVKRUAJ-CQSZACIVSA-N 0 3 293.432 3.474 50 0 CGAAHN C[C@@H](C[C@H](O)c1ccccc1)NCc1ccsc1 ZINC000095448809 370195304 /nfs/dbraw/zinc/19/53/04/370195304.db2.gz RJDXASNDAZAPBJ-WFASDCNBSA-N 0 3 261.390 3.350 50 0 CGAAHN Cn1cc(CN2C[C@@H](c3ccccc3)C(C)(C)C2)cn1 ZINC000134263874 371317822 /nfs/dbraw/zinc/31/78/22/371317822.db2.gz ROAXYSHFFCDANK-INIZCTEOSA-N 0 3 269.392 3.046 50 0 CGAAHN CO[C@H](C)[C@H](C)NCc1cnc(C2CCCC2)s1 ZINC000170087959 372634632 /nfs/dbraw/zinc/63/46/32/372634632.db2.gz WBGSIYVUSORURM-WDEREUQCSA-N 0 3 268.426 3.314 50 0 CGAAHN C[C@@H](CCN(C)Cc1cnn(C)c1)c1ccccc1 ZINC000193629877 375900155 /nfs/dbraw/zinc/90/01/55/375900155.db2.gz WPTCUTWPKAVFPU-AWEZNQCLSA-N 0 3 257.381 3.046 50 0 CGAAHN CCNCc1cc(-c2ccc(Br)cc2F)n[nH]1 ZINC000131063538 542067454 /nfs/dbraw/zinc/06/74/54/542067454.db2.gz QENYTLIQQWHXSW-UHFFFAOYSA-N 0 3 298.159 3.088 50 0 CGAAHN COCCN(Cc1cnn(-c2ccccc2C)c1)CC1CC1 ZINC000218791271 376189287 /nfs/dbraw/zinc/18/92/87/376189287.db2.gz FVEHULYZJDQNLD-UHFFFAOYSA-N 0 3 299.418 3.039 50 0 CGAAHN CC(=O)NCc1ccc(-c2ccc([C@H](C)N(C)C)cc2)nc1 ZINC000215923262 376155388 /nfs/dbraw/zinc/15/53/88/376155388.db2.gz XWNXTDUZWUJMEY-ZDUSSCGKSA-N 0 3 297.402 3.007 50 0 CGAAHN COCCN(C)Cc1cccc(-c2ccc(C)o2)c1 ZINC000223899483 376266601 /nfs/dbraw/zinc/26/66/01/376266601.db2.gz CMADJSHBYCSNCP-UHFFFAOYSA-N 0 3 259.349 3.333 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN[C@H](C)CCO)o1 ZINC000225406728 376307449 /nfs/dbraw/zinc/30/74/49/376307449.db2.gz AWCKWCZSXHDVHY-LLVKDONJSA-N 0 3 277.339 3.255 50 0 CGAAHN CC(C)c1cc(CN[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)on1 ZINC000239672789 376774852 /nfs/dbraw/zinc/77/48/52/376774852.db2.gz BVHZRRVVZPWHHA-NWANDNLSSA-N 0 3 278.396 3.091 50 0 CGAAHN CN(Cc1nc2ccc(Cl)cc2[nH]1)C[C@H]1CCCOC1 ZINC000244758144 376796865 /nfs/dbraw/zinc/79/68/65/376796865.db2.gz OTDNUVJOSUQPBP-LLVKDONJSA-N 0 3 293.798 3.075 50 0 CGAAHN Cc1cccc(CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C)n1 ZINC000252512078 377635438 /nfs/dbraw/zinc/63/54/38/377635438.db2.gz MFQLFQSPNIRQRK-DNVCBOLYSA-N 0 3 295.430 3.000 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@H]1CCCN(Cc2ccccn2)C1 ZINC000575547348 377917688 /nfs/dbraw/zinc/91/76/88/377917688.db2.gz ZWTGYEMGTMPFSS-KRWDZBQOSA-N 0 3 296.418 3.301 50 0 CGAAHN CC[C@H](NCc1ccc(-c2cc[nH]n2)cc1)c1cnn(C)c1 ZINC000370616844 379039015 /nfs/dbraw/zinc/03/90/15/379039015.db2.gz XOVOUQQQVSWSBF-INIZCTEOSA-N 0 3 295.390 3.051 50 0 CGAAHN COc1cccc([C@@H]2C[C@@H](C)CN2Cc2cnn(C)c2)c1 ZINC000328587288 392676553 /nfs/dbraw/zinc/67/65/53/392676553.db2.gz VYHBPWSGRZIAMS-DYVFJYSZSA-N 0 3 285.391 3.012 50 0 CGAAHN CC/C(C)=C/CC[N@@H+]1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000670457961 543156652 /nfs/dbraw/zinc/15/66/52/543156652.db2.gz GNYIJXMBAGOOMV-YGLIYXGISA-N 0 3 275.396 3.108 50 0 CGAAHN CC/C(C)=C/CC[N@H+]1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000670457961 543156654 /nfs/dbraw/zinc/15/66/54/543156654.db2.gz GNYIJXMBAGOOMV-YGLIYXGISA-N 0 3 275.396 3.108 50 0 CGAAHN C[C@H](c1ccncc1)N(C)CCc1ccc2c(c1)CCO2 ZINC000091988731 165276671 /nfs/dbraw/zinc/27/66/71/165276671.db2.gz QGSZGZUWZUWIQZ-CQSZACIVSA-N 0 3 282.387 3.252 50 0 CGAAHN CNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004786607 170017882 /nfs/dbraw/zinc/01/78/82/170017882.db2.gz SLLDCDPCZBBPGG-UHFFFAOYSA-N 0 3 251.713 3.328 50 0 CGAAHN CC(C)(CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004998564 170052566 /nfs/dbraw/zinc/05/25/66/170052566.db2.gz VPSNDUXPJRTRJM-UHFFFAOYSA-N 0 3 279.767 3.461 50 0 CGAAHN Cc1cc(C)c2[nH]c(C)c(CN3CCCC3)c(=O)c2c1 ZINC000008713989 170348533 /nfs/dbraw/zinc/34/85/33/170348533.db2.gz SWMBWZLGSSKQEN-UHFFFAOYSA-N 0 3 270.376 3.461 50 0 CGAAHN Cc1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000010017789 170395464 /nfs/dbraw/zinc/39/54/64/170395464.db2.gz PGTYURBANDVOPC-QGZVFWFLSA-N 0 3 282.387 3.028 50 0 CGAAHN c1cc(-c2ccccc2)oc1CN[C@H]1CN2CCC1CC2 ZINC000020477268 171221300 /nfs/dbraw/zinc/22/13/00/171221300.db2.gz OIQJHPQXGQWBHH-KRWDZBQOSA-N 0 3 282.387 3.130 50 0 CGAAHN Clc1ccc(CNCc2ccnc(-n3cccn3)c2)cc1 ZINC000030901004 171626618 /nfs/dbraw/zinc/62/66/18/171626618.db2.gz VYOJAGKRNPUUHG-UHFFFAOYSA-N 0 3 298.777 3.211 50 0 CGAAHN Fc1ccc(-c2ccc(CNCCCn3ccnc3)o2)cc1 ZINC000035268960 172091762 /nfs/dbraw/zinc/09/17/62/172091762.db2.gz YHHVCSOURGIXDM-UHFFFAOYSA-N 0 3 299.349 3.462 50 0 CGAAHN C[C@@H](NCc1c[nH]nc1-c1ccccc1)[C@@H](C)n1cccn1 ZINC000069368942 175825077 /nfs/dbraw/zinc/82/50/77/175825077.db2.gz QWOVXFZVHWCOLG-ZIAGYGMSSA-N 0 3 295.390 3.013 50 0 CGAAHN Cc1ccccc1CN1CCC[C@H]1c1cnn(C)c1 ZINC000071797264 176265082 /nfs/dbraw/zinc/26/50/82/176265082.db2.gz APQYDUBFVRHIGB-INIZCTEOSA-N 0 3 255.365 3.066 50 0 CGAAHN c1ccc2[nH]c(C[C@H]3CCCN(c4ccncc4)C3)nc2c1 ZINC000077321134 177252699 /nfs/dbraw/zinc/25/26/99/177252699.db2.gz FJGWGSCUCPMHED-CQSZACIVSA-N 0 3 292.386 3.417 50 0 CGAAHN CO[C@@H](CN[C@@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315985 419756571 /nfs/dbraw/zinc/75/65/71/419756571.db2.gz ONGPJCZSGROHHD-LRDDRELGSA-N 0 3 263.381 3.248 50 0 CGAAHN CNC(=O)c1ccc(CN(C)[C@H]2CCc3ccccc32)cc1 ZINC000066871054 277257727 /nfs/dbraw/zinc/25/77/27/277257727.db2.gz SGYOMFDATGRIKR-SFHVURJKSA-N 0 3 294.398 3.166 50 0 CGAAHN C[C@@H](N[C@@H](C)c1cn(-c2ccccc2)nn1)[C@@H]1C[C@H]1C1CC1 ZINC000527678912 288187636 /nfs/dbraw/zinc/18/76/36/288187636.db2.gz WPCNPZJBTKWPHN-OQUILHJVSA-N 0 3 296.418 3.353 50 0 CGAAHN Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(F)c(F)c2)c1 ZINC000069493284 281695390 /nfs/dbraw/zinc/69/53/90/281695390.db2.gz WMLGHIJLUAFCTP-NEPJUHHUSA-N 0 3 279.334 3.209 50 0 CGAAHN CCSC[C@H](C)NCc1sc(CC)nc1C ZINC000534654440 328339188 /nfs/dbraw/zinc/33/91/88/328339188.db2.gz CFBIPQVKOIIEED-VIFPVBQESA-N 0 3 258.456 3.245 50 0 CGAAHN CC[C@@H](c1ccccn1)N(C)Cc1cccc2nonc21 ZINC000952986751 615548759 /nfs/dbraw/zinc/54/87/59/615548759.db2.gz KLBHOYRHJMZFBS-HNNXBMFYSA-N 0 3 282.347 3.201 50 0 CGAAHN c1c2ccccc2oc1[C@H](N[C@@H]1CCOC1)C1CC1 ZINC000097016916 230386360 /nfs/dbraw/zinc/38/63/60/230386360.db2.gz DGGZQAJMRKZKSN-CZUORRHYSA-N 0 3 257.333 3.262 50 0 CGAAHN CCCNC(=O)C1(NCc2ccccc2C)CCCCC1 ZINC000095964208 185045023 /nfs/dbraw/zinc/04/50/23/185045023.db2.gz YCHUIQKGBIFDIG-UHFFFAOYSA-N 0 3 288.435 3.314 50 0 CGAAHN COc1cc(-c2ccccc2)ccc1CN1CCC(O)CC1 ZINC000096004845 185063119 /nfs/dbraw/zinc/06/31/19/185063119.db2.gz WJEKZCVUJZIXOE-UHFFFAOYSA-N 0 3 297.398 3.319 50 0 CGAAHN Cc1ccc(CNC[C@H]2CCCO2)c(Br)c1 ZINC000125918133 187204530 /nfs/dbraw/zinc/20/45/30/187204530.db2.gz IZYAYNHASGGCAC-GFCCVEGCSA-N 0 3 284.197 3.026 50 0 CGAAHN Cc1cccc(OCCOCCN2CCCCC2)c1C ZINC000016667054 344886944 /nfs/dbraw/zinc/88/69/44/344886944.db2.gz NIGNQCKWGHMJJC-UHFFFAOYSA-N 0 3 277.408 3.185 50 0 CGAAHN Cc1ccoc1C(=O)NC[C@H](c1ccccc1)N1CCCC1 ZINC000023740841 344898484 /nfs/dbraw/zinc/89/84/84/344898484.db2.gz JPZPSKLBYGVTFQ-MRXNPFEDSA-N 0 3 298.386 3.155 50 0 CGAAHN Cc1cc(C(=O)N2CCC[C@@H]2CN2CCCC2)c(C)s1 ZINC000066945356 345310378 /nfs/dbraw/zinc/31/03/78/345310378.db2.gz ONSQRPKYPVTRQN-CQSZACIVSA-N 0 3 292.448 3.065 50 0 CGAAHN CCOC(=O)[C@@]1(c2ccccc2)CCC=C(C)[C@H]1N(C)C ZINC000096028034 345901975 /nfs/dbraw/zinc/90/19/75/345901975.db2.gz ACMGZYOBXCPVDH-SJLPKXTDSA-N 0 3 287.403 3.158 50 0 CGAAHN O=C(OCc1ccccc1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000090624502 180014960 /nfs/dbraw/zinc/01/49/60/180014960.db2.gz LUEPOWKKYXJBSY-GOSISDBHSA-N 0 3 295.382 3.252 50 0 CGAAHN CC(C)=CC[C@@]1(CO)CCCN(CCc2ccccn2)C1 ZINC000091381669 180143868 /nfs/dbraw/zinc/14/38/68/180143868.db2.gz YYGBYVPRTTYMTD-SFHVURJKSA-N 0 3 288.435 3.055 50 0 CGAAHN CCn1ccnc1[C@@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000091997241 180302986 /nfs/dbraw/zinc/30/29/86/180302986.db2.gz YLURWNWJRXFHPT-MRXNPFEDSA-N 0 3 299.418 3.291 50 0 CGAAHN C[C@@H]1CCN(CCCn2ccnc2)[C@H](c2ccco2)C1 ZINC000183183346 189349363 /nfs/dbraw/zinc/34/93/63/189349363.db2.gz NUNDUXKGDUPTGV-CABCVRRESA-N 0 3 273.380 3.339 50 0 CGAAHN COc1cc(CN2CCCCCCC2)cc(OC)c1O ZINC000000241253 368322625 /nfs/dbraw/zinc/32/26/25/368322625.db2.gz GJDBORDVUDWGCC-UHFFFAOYSA-N 0 3 279.380 3.176 50 0 CGAAHN Cc1ccc2c(CN3CCCCC3)cc(=O)oc2c1 ZINC000002117742 368447579 /nfs/dbraw/zinc/44/75/79/368447579.db2.gz BBUNTGYDSHWDJU-UHFFFAOYSA-N 0 3 257.333 3.087 50 0 biogenic CGAAHN Cc1cc(C)c2c(CN3CCCCC3)cc(=O)oc2c1 ZINC000002124885 368447902 /nfs/dbraw/zinc/44/79/02/368447902.db2.gz KWBKDGABLRPZFS-UHFFFAOYSA-N 0 3 271.360 3.396 50 0 biogenic CGAAHN Cc1ccc(C(C)(C)C)c(OCCOCCN(C)C)c1 ZINC000002823700 368479178 /nfs/dbraw/zinc/47/91/78/368479178.db2.gz RXYUODBDKDKOQD-UHFFFAOYSA-N 0 3 279.424 3.250 50 0 CGAAHN NCc1c[nH]c(=S)n1[C@H]1CCc2c(F)cc(F)cc2C1 ZINC000003936852 368524583 /nfs/dbraw/zinc/52/45/83/368524583.db2.gz YZZVIKDAOTXDEB-JTQLQIEISA-N 0 3 295.358 3.013 50 0 investigational CGAAHN C[C@H](NCc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000004117681 368532321 /nfs/dbraw/zinc/53/23/21/368532321.db2.gz YPPYOQYQJOKSGG-GUYCJALGSA-N 0 3 269.344 3.005 50 0 CGAAHN C[C@@H](Cc1ccccc1[S@@](=O)c1ccccc1)N(C)C ZINC000004146788 368533948 /nfs/dbraw/zinc/53/39/48/368533948.db2.gz FIQXYWPZJOQLQV-VBKZILBWSA-N 0 3 287.428 3.346 50 0 CGAAHN [O-]c1cccnc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC000004559222 368550316 /nfs/dbraw/zinc/55/03/16/368550316.db2.gz MFTOSKRUKLPZDT-UHFFFAOYSA-N 0 3 266.344 3.077 50 0 CGAAHN [O-]c1cccnc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000004559222 368550325 /nfs/dbraw/zinc/55/03/25/368550325.db2.gz MFTOSKRUKLPZDT-UHFFFAOYSA-N 0 3 266.344 3.077 50 0 CGAAHN NC(=O)c1ccc(CN2CCC[C@H]2c2ccccc2)cc1 ZINC000010340736 368580017 /nfs/dbraw/zinc/58/00/17/368580017.db2.gz UEDYDXJGEXYKCY-KRWDZBQOSA-N 0 3 280.371 3.123 50 0 CGAAHN C[C@H]1CN(C2CCN(C)CC2)Cc2cc(Cl)ccc2O1 ZINC000012099445 368603753 /nfs/dbraw/zinc/60/37/53/368603753.db2.gz LGMIHWZHLJSBDB-LBPRGKRZSA-N 0 3 294.826 3.017 50 0 CGAAHN COc1ccc(C[C@H](C)NCc2ccco2)cc1OC ZINC000012383607 368610873 /nfs/dbraw/zinc/61/08/73/368610873.db2.gz TXBKOBBGYWRGEG-LBPRGKRZSA-N 0 3 275.348 3.018 50 0 CGAAHN CCc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)cc1 ZINC000015724232 368701655 /nfs/dbraw/zinc/70/16/55/368701655.db2.gz YPZWNJUKRILYCT-MAUKXSAKSA-N 0 3 299.414 3.340 50 0 CGAAHN Cc1ccccc1[C@@H](C)NCc1cnc2ccccn12 ZINC000121817314 370898937 /nfs/dbraw/zinc/89/89/37/370898937.db2.gz ARYSQFIALFVZJX-CQSZACIVSA-N 0 3 265.360 3.494 50 0 CGAAHN CCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000016663041 368719751 /nfs/dbraw/zinc/71/97/51/368719751.db2.gz UNOCIMASNUJPJX-UHFFFAOYSA-N 0 3 269.344 3.437 50 0 CGAAHN COc1ccc(CNCc2cccc3[nH]ccc32)cc1 ZINC000014988155 368688829 /nfs/dbraw/zinc/68/88/29/368688829.db2.gz SZBLRIXDRQFHHM-UHFFFAOYSA-N 0 3 266.344 3.466 50 0 CGAAHN CC[C@H](NC(=O)c1ccc(CN(C)C)cc1)c1ccncc1 ZINC000019594977 368758403 /nfs/dbraw/zinc/75/84/03/368758403.db2.gz XXZTURWMDMNVQX-KRWDZBQOSA-N 0 3 297.402 3.024 50 0 CGAAHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccc2Cl)C1 ZINC000125873096 370941774 /nfs/dbraw/zinc/94/17/74/370941774.db2.gz YSEJYDXQPIVVOE-RYUDHWBXSA-N 0 3 280.799 3.002 50 0 CGAAHN NC1(C(=O)Nc2ccc(Br)cc2)CCCCC1 ZINC000019488509 368754033 /nfs/dbraw/zinc/75/40/33/368754033.db2.gz YQJRKIOZFZGTHQ-UHFFFAOYSA-N 0 3 297.196 3.049 50 0 CGAAHN Cc1ccc(CN2CCN(c3ccc(O)cc3)CC2)cc1 ZINC000023652520 368822855 /nfs/dbraw/zinc/82/28/55/368822855.db2.gz MVSVWXZXRPWBTK-UHFFFAOYSA-N 0 3 282.387 3.023 50 0 CGAAHN Brc1csc(CNCCc2ccco2)c1 ZINC000023641847 368823270 /nfs/dbraw/zinc/82/32/70/368823270.db2.gz VGTNLJVAEHKSAH-UHFFFAOYSA-N 0 3 286.194 3.436 50 0 CGAAHN CN(C)Cc1ccccc1NC(=O)c1ccc(F)c(F)c1 ZINC000024643164 368832573 /nfs/dbraw/zinc/83/25/73/368832573.db2.gz PFXJDPWFIKPTRB-UHFFFAOYSA-N 0 3 290.313 3.279 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccc(F)cc1Cl ZINC000024839920 368835824 /nfs/dbraw/zinc/83/58/24/368835824.db2.gz YLKGRVFRTLULQX-UHFFFAOYSA-N 0 3 272.751 3.196 50 0 CGAAHN CCN1CCC[C@@H]1CNc1nc2ccccc2s1 ZINC000020015368 368793786 /nfs/dbraw/zinc/79/37/86/368793786.db2.gz PLIFABXNXINWKC-LLVKDONJSA-N 0 3 261.394 3.193 50 0 CGAAHN CCC[C@](C)(N)C(=O)N[C@H](C)c1cc(C)sc1C ZINC000037621674 369092948 /nfs/dbraw/zinc/09/29/48/369092948.db2.gz DEPBSPZANBXPOQ-YGRLFVJLSA-N 0 3 268.426 3.060 50 0 CGAAHN CCC[C@@H](C(=O)NC[C@@H]1CCCN1CC)c1ccccc1 ZINC000039975623 369152327 /nfs/dbraw/zinc/15/23/27/369152327.db2.gz UYOCXFLNXXFTNX-DLBZAZTESA-N 0 3 288.435 3.171 50 0 CGAAHN Cc1cc(C)c(NC(=O)CN(C)CC(C)C)c(C)c1 ZINC000048572322 369360210 /nfs/dbraw/zinc/36/02/10/369360210.db2.gz XVTCRBWFNPADOL-UHFFFAOYSA-N 0 3 262.397 3.138 50 0 CGAAHN CC(C)CN(Cc1nnc(-c2ccco2)o1)CC(C)C ZINC000052855926 369473745 /nfs/dbraw/zinc/47/37/45/369473745.db2.gz RRYRDISRLNYSIL-UHFFFAOYSA-N 0 3 277.368 3.444 50 0 CGAAHN FC(F)(F)c1ccccc1CNCCOc1ccccn1 ZINC000057353333 369535696 /nfs/dbraw/zinc/53/56/96/369535696.db2.gz UJPFNDSRQVMJGI-UHFFFAOYSA-N 0 3 296.292 3.269 50 0 CGAAHN CC[C@@H](CO)N(CC=C(C)C)Cc1ccsc1 ZINC000055401859 369516281 /nfs/dbraw/zinc/51/62/81/369516281.db2.gz LSALKIABOKVYNL-AWEZNQCLSA-N 0 3 253.411 3.287 50 0 CGAAHN COc1ccc(NC(=O)[C@@H]2CCCN2CCC(C)C)cc1 ZINC000058162253 369557121 /nfs/dbraw/zinc/55/71/21/369557121.db2.gz AQSOJNGQJYYTIQ-INIZCTEOSA-N 0 3 290.407 3.144 50 0 CGAAHN Cc1ccccc1[C@]1(O)CCN(Cc2cccs2)C1 ZINC000065396793 369672550 /nfs/dbraw/zinc/67/25/50/369672550.db2.gz DOWUFGIJFJKUBL-INIZCTEOSA-N 0 3 273.401 3.150 50 0 CGAAHN C[C@H]([C@H](C)NCc1c[nH]nc1-c1ccccc1)n1cccn1 ZINC000069368941 369757610 /nfs/dbraw/zinc/75/76/10/369757610.db2.gz QWOVXFZVHWCOLG-UONOGXRCSA-N 0 3 295.390 3.013 50 0 CGAAHN Cc1ccccc1[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072429422 369819064 /nfs/dbraw/zinc/81/90/64/369819064.db2.gz MNEYRZZBKFQNMG-MRXNPFEDSA-N 0 3 269.392 3.108 50 0 CGAAHN CCSc1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000072995825 369847940 /nfs/dbraw/zinc/84/79/40/369847940.db2.gz RXPNXIBTFHWNMR-GFCCVEGCSA-N 0 3 278.421 3.079 50 0 CGAAHN CN1CCc2c(c3cc(F)ccc3n2-c2ccncc2)C1 ZINC000075567420 369913769 /nfs/dbraw/zinc/91/37/69/369913769.db2.gz RFCWQUIXKMFVLP-UHFFFAOYSA-N 0 3 281.334 3.153 50 0 CGAAHN Cc1ccc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)o1 ZINC000089655993 370044867 /nfs/dbraw/zinc/04/48/67/370044867.db2.gz IIACMMJJGLWEQR-AWEZNQCLSA-N 0 3 296.374 3.362 50 0 CGAAHN CCOc1c(Cl)cc(CNCCN(C)C)cc1Cl ZINC000095194423 370176166 /nfs/dbraw/zinc/17/61/66/370176166.db2.gz JJUKLCICPHQGKK-UHFFFAOYSA-N 0 3 291.222 3.043 50 0 CGAAHN CC(C)OC1CCN(Cc2ccccc2N(C)C)CC1 ZINC000096443325 370211815 /nfs/dbraw/zinc/21/18/15/370211815.db2.gz RIJVEHYJRXTFKW-UHFFFAOYSA-N 0 3 276.424 3.142 50 0 CGAAHN CC1=CCC[C@H](C)[C@@H]1CNCc1nccn1C(F)F ZINC000097098540 370224415 /nfs/dbraw/zinc/22/44/15/370224415.db2.gz FJIWBWQJRIOODX-NWDGAFQWSA-N 0 3 269.339 3.360 50 0 CGAAHN CCN(Cc1ccccc1C)C(=O)CN1CCC(C)CC1 ZINC000097286766 370238081 /nfs/dbraw/zinc/23/80/81/370238081.db2.gz MFJCMDWDQXZIPZ-UHFFFAOYSA-N 0 3 288.435 3.075 50 0 CGAAHN CSc1c(F)cc(NC2CCN(C)CC2)cc1F ZINC000097378084 370241203 /nfs/dbraw/zinc/24/12/03/370241203.db2.gz OWVNBJXKYIEKSK-UHFFFAOYSA-N 0 3 272.364 3.193 50 0 CGAAHN C[C@H](O)C[C@H](C)CNCc1sccc1Br ZINC000097378300 370241214 /nfs/dbraw/zinc/24/12/14/370241214.db2.gz GIWIMLQHMVPQJN-IUCAKERBSA-N 0 3 292.242 3.007 50 0 CGAAHN Cc1cc(C(=O)N(C)[C@@H]2CCN(C)C2)c(-c2ccccc2)o1 ZINC000097572211 370247312 /nfs/dbraw/zinc/24/73/12/370247312.db2.gz QWQNMZBRJMDRTN-OAHLLOKOSA-N 0 3 298.386 3.031 50 0 CGAAHN COCCn1nc(C)c(CN[C@@H](C)c2cccs2)c1C ZINC000095420919 370188421 /nfs/dbraw/zinc/18/84/21/370188421.db2.gz DFZFTJJFYROFAC-LBPRGKRZSA-N 0 3 293.436 3.059 50 0 CGAAHN Cc1ccc2oc(C(=O)N(CCN(C)C)C(C)C)cc2c1 ZINC000095431792 370192261 /nfs/dbraw/zinc/19/22/61/370192261.db2.gz BCIJMHZPMCDDGE-UHFFFAOYSA-N 0 3 288.391 3.153 50 0 CGAAHN N[C@H]1CC2(CCC2)Oc2ccc(Br)cc21 ZINC000095835707 370201351 /nfs/dbraw/zinc/20/13/51/370201351.db2.gz PKUAXIJJZUGPIS-JTQLQIEISA-N 0 3 268.154 3.154 50 0 CGAAHN COC[C@@H]1CCCCN1Cc1cc2ccccc2n1C ZINC000097711702 370251992 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IKQWBEUZISCIEP-QGZVFWFLSA-N 0 3 276.424 3.060 50 0 CGAAHN CC(C)(C)OC(=O)NCCN(Cc1ccccc1)C1CC1 ZINC000097011985 185151920 /nfs/dbraw/zinc/15/19/20/185151920.db2.gz WLOKXYMOJJFVET-UHFFFAOYSA-N 0 3 290.407 3.176 50 0 CGAAHN CC(C)C(=O)Nc1cccc(CN2CCCCC2)c1 ZINC000048199153 345063077 /nfs/dbraw/zinc/06/30/77/345063077.db2.gz HBRYUMPEWFXVEG-UHFFFAOYSA-N 0 3 260.381 3.267 50 0 CGAAHN CC[C@@H](CN1CCCC1)NC(=O)Nc1ccc(Cl)cc1 ZINC000072288972 345408316 /nfs/dbraw/zinc/40/83/16/345408316.db2.gz SZAOQPUBCPPLQC-ZDUSSCGKSA-N 0 3 295.814 3.336 50 0 CGAAHN Cc1csc([C@H](N[C@H]2CCCSC2)C2CC2)n1 ZINC000097370840 345907716 /nfs/dbraw/zinc/90/77/16/345907716.db2.gz CDWCYHUSUNAEEP-NWDGAFQWSA-N 0 3 268.451 3.388 50 0 CGAAHN O=C(CN1CCC[C@@H]1C1CCC1)NC1CCCCCCC1 ZINC000170621002 346195614 /nfs/dbraw/zinc/19/56/14/346195614.db2.gz BVAMRUIOULBDSR-QGZVFWFLSA-N 0 3 292.467 3.480 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@H]2CCCSc3ccccc32)C1 ZINC000195558661 346273707 /nfs/dbraw/zinc/27/37/07/346273707.db2.gz VXUFWFLSMHCTLQ-GUTXKFCHSA-N 0 3 275.417 3.140 50 0 CGAAHN O[C@H]1CCN(Cc2ccsc2)[C@@H](c2ccccc2)C1 ZINC000636440464 351762323 /nfs/dbraw/zinc/76/23/23/351762323.db2.gz FQRWPENVTWUZJJ-JKSUJKDBSA-N 0 3 273.401 3.446 50 0 CGAAHN O[C@@](c1cccs1)(c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000000204010 368315324 /nfs/dbraw/zinc/31/53/24/368315324.db2.gz IPKLUCDIJUDRKF-AEFFLSMTSA-N 0 3 299.439 3.326 50 0 CGAAHN O[C@](c1cccs1)(c1ccccc1)[C@@H]1CN2CCC1CC2 ZINC000000204014 368315591 /nfs/dbraw/zinc/31/55/91/368315591.db2.gz IPKLUCDIJUDRKF-SJLPKXTDSA-N 0 3 299.439 3.326 50 0 CGAAHN Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C1CCCC1 ZINC000000052257 368278024 /nfs/dbraw/zinc/27/80/24/368278024.db2.gz PLXBGSAVISPBTP-WMZOPIPTSA-N 0 3 298.430 3.320 50 0 biogenic CGAAHN CCCN(CCO)Cc1c(OC)ccc2ccccc21 ZINC000000277475 368330441 /nfs/dbraw/zinc/33/04/41/368330441.db2.gz GQUICHGERBUUMN-UHFFFAOYSA-N 0 3 273.376 3.053 50 0 CGAAHN c1cnc2c(c1)cccc2OCCN1CCCCC1 ZINC000000357980 368347451 /nfs/dbraw/zinc/34/74/51/368347451.db2.gz ZKEJYNILBNFDMT-UHFFFAOYSA-N 0 3 256.349 3.100 50 0 biogenic CGAAHN CC[C@H](C)NCC(=O)Nc1ccccc1C(F)(F)F ZINC000002655780 368472775 /nfs/dbraw/zinc/47/27/75/368472775.db2.gz NDOMXUNDXMPPMQ-VIFPVBQESA-N 0 3 274.286 3.032 50 0 CGAAHN N[C@@H](c1ccc(O)cc1)c1ccc(Br)cc1 ZINC000002527485 368459865 /nfs/dbraw/zinc/45/98/65/368459865.db2.gz COTBFWYVJVSILN-CYBMUJFWSA-N 0 3 278.149 3.203 50 0 CGAAHN COc1ccc(CNCCc2ccccc2)c(OC)c1C ZINC000002899141 368486022 /nfs/dbraw/zinc/48/60/22/368486022.db2.gz YSVVKIYZLQFIKL-UHFFFAOYSA-N 0 3 285.387 3.345 50 0 CGAAHN C[C@@H](CN1CCCCC1)OC(=O)c1cccc(Cl)c1 ZINC000004673374 368556200 /nfs/dbraw/zinc/55/62/00/368556200.db2.gz QCNOWCQRHCKIHS-LBPRGKRZSA-N 0 3 281.783 3.371 50 0 CGAAHN CCNCc1cc(Cl)cc(OC)c1OC(C)C ZINC000004670850 368556278 /nfs/dbraw/zinc/55/62/78/368556278.db2.gz NBADQJVECXDTDV-UHFFFAOYSA-N 0 3 257.761 3.245 50 0 CGAAHN COc1ccc2ccccc2c1CNC[C@H]1CCCO1 ZINC000004488534 368547417 /nfs/dbraw/zinc/54/74/17/368547417.db2.gz OASAONSBMYZACM-CQSZACIVSA-N 0 3 271.360 3.117 50 0 CGAAHN CCOc1c(Cl)cc(CN[C@@H](CC)CO)cc1Cl ZINC000010435754 368582231 /nfs/dbraw/zinc/58/22/31/368582231.db2.gz AZZGVGAQLDBKPS-JTQLQIEISA-N 0 3 292.206 3.253 50 0 CGAAHN COc1ccccc1OC/C=C/CN1CCCCC1 ZINC000016624094 368718924 /nfs/dbraw/zinc/71/89/24/368718924.db2.gz NYSBJBBNFLQPIW-BQYQJAHWSA-N 0 3 261.365 3.116 50 0 CGAAHN CN(Cc1nc2ccccc2n1C)C1CCCCC1 ZINC000013943962 368671399 /nfs/dbraw/zinc/67/13/99/368671399.db2.gz QFKUFKQTXUBEAF-UHFFFAOYSA-N 0 3 257.381 3.338 50 0 CGAAHN Cc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000019789350 368765510 /nfs/dbraw/zinc/76/55/10/368765510.db2.gz YFWCFIYXDFSTOC-SFHVURJKSA-N 0 3 284.447 3.469 50 0 CGAAHN CN(C)CCN(Cc1ccccc1)Cc1ccc(F)cc1 ZINC000019809389 368768523 /nfs/dbraw/zinc/76/85/23/368768523.db2.gz ZMPLVKWLHZNBBJ-UHFFFAOYSA-N 0 3 286.394 3.390 50 0 CGAAHN Cc1n[nH]c(C)c1CN(C)CCc1c(C)[nH]c2ccccc21 ZINC000019112376 368744345 /nfs/dbraw/zinc/74/43/45/368744345.db2.gz OSFLRJYFLVMNOJ-UHFFFAOYSA-N 0 3 296.418 3.491 50 0 CGAAHN Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019536646 368756587 /nfs/dbraw/zinc/75/65/87/368756587.db2.gz UZIYLIRBEDSOPG-UHFFFAOYSA-N 0 3 280.415 3.313 50 0 CGAAHN CC[C@@H](C)NCc1cc(Br)ccc1F ZINC000019881813 368775360 /nfs/dbraw/zinc/77/53/60/368775360.db2.gz YVKIPUPGMBCHAL-MRVPVSSYSA-N 0 3 260.150 3.476 50 0 CGAAHN COc1ccc(CC[C@@H](C)NCc2ccccn2)cc1 ZINC000023283561 368820115 /nfs/dbraw/zinc/82/01/15/368820115.db2.gz KKBVINXNQHSXCL-CQSZACIVSA-N 0 3 270.376 3.201 50 0 CGAAHN Cc1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 ZINC000024535625 368831953 /nfs/dbraw/zinc/83/19/53/368831953.db2.gz VGFNHJYUHBGRQX-QGZVFWFLSA-N 0 3 297.402 3.419 50 0 CGAAHN C[C@@H](N[C@H](C)c1cccs1)C(=O)NC1CCCCC1 ZINC000035132878 369000637 /nfs/dbraw/zinc/00/06/37/369000637.db2.gz NXLDDMTXCQKZDI-VXGBXAGGSA-N 0 3 280.437 3.236 50 0 CGAAHN COc1ccccc1C[C@H](C)NCc1c(C)noc1C ZINC000037778634 369110778 /nfs/dbraw/zinc/11/07/78/369110778.db2.gz UCEYJPSLVMLNKX-NSHDSACASA-N 0 3 274.364 3.021 50 0 CGAAHN NC[C@H](c1ccccc1Cl)N1CCCCCC1 ZINC000038526552 369146719 /nfs/dbraw/zinc/14/67/19/369146719.db2.gz ZWIQYOYNKDZSIM-CQSZACIVSA-N 0 3 252.789 3.216 50 0 CGAAHN CCCOc1c(CN[C@H]2CCSC2)cccc1OC ZINC000065372941 369668820 /nfs/dbraw/zinc/66/88/20/369668820.db2.gz WJRGVVAUJPATRK-ZDUSSCGKSA-N 0 3 281.421 3.079 50 0 CGAAHN Cc1ccccc1[C@@]1(O)CCN(C/C=C/c2ccco2)C1 ZINC000065398944 369672057 /nfs/dbraw/zinc/67/20/57/369672057.db2.gz HXHCZLXUPOEJNC-WEBJUUICSA-N 0 3 283.371 3.195 50 0 CGAAHN C/C(=C\c1cc(Cl)ccc1O)CN1CCN(C)[C@@H](C)C1 ZINC000065404407 369673840 /nfs/dbraw/zinc/67/38/40/369673840.db2.gz DWNBSYAAFBWWTM-RPHSKFLZSA-N 0 3 294.826 3.085 50 0 CGAAHN OCc1ccc(CN2CCC[C@@H](c3ccccc3)C2)o1 ZINC000065453224 369677399 /nfs/dbraw/zinc/67/73/99/369677399.db2.gz DVFUPLJYDUYLAO-OAHLLOKOSA-N 0 3 271.360 3.152 50 0 CGAAHN Cc1nn(C)c(C)c1CN(C1CC1)C1Cc2ccccc2C1 ZINC000065492539 369679379 /nfs/dbraw/zinc/67/93/79/369679379.db2.gz RDRUOQPQWGJEMQ-UHFFFAOYSA-N 0 3 295.430 3.169 50 0 CGAAHN C[C@H](NCc1cnc(C(C)(C)C)s1)[C@H](C)n1cccn1 ZINC000069372681 369757674 /nfs/dbraw/zinc/75/76/74/369757674.db2.gz NAORZNGLVQVIIJ-RYUDHWBXSA-N 0 3 292.452 3.376 50 0 CGAAHN CCc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C ZINC000069699865 369768584 /nfs/dbraw/zinc/76/85/84/369768584.db2.gz SZXLHNSDDVDHFH-KBPBESRZSA-N 0 3 292.448 3.009 50 0 CGAAHN CN(C)Cc1cccc(CNCc2c(F)cccc2F)c1 ZINC000067693181 369725180 /nfs/dbraw/zinc/72/51/80/369725180.db2.gz YWIYTUSAHDSIER-UHFFFAOYSA-N 0 3 290.357 3.316 50 0 CGAAHN C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000076082720 369928824 /nfs/dbraw/zinc/92/88/24/369928824.db2.gz UYCROCRPUFDCFX-CJNGLKHVSA-N 0 3 290.407 3.034 50 0 CGAAHN CN(C)[C@@H](CNc1nccc2occc21)Cc1ccccc1 ZINC000089313907 370041260 /nfs/dbraw/zinc/04/12/60/370041260.db2.gz QLONRQKJUOGVQO-OAHLLOKOSA-N 0 3 295.386 3.413 50 0 CGAAHN COc1ccc([C@@H]2CCN(Cc3scnc3C)C2)cc1 ZINC000092783599 370100477 /nfs/dbraw/zinc/10/04/77/370100477.db2.gz HKBHYKLWCMGPCY-CQSZACIVSA-N 0 3 288.416 3.450 50 0 CGAAHN Cc1ccc(CN2CCC(OC3CCOCC3)CC2)s1 ZINC000093140269 370112744 /nfs/dbraw/zinc/11/27/44/370112744.db2.gz APLLJVUZCIUAFQ-UHFFFAOYSA-N 0 3 295.448 3.217 50 0 CGAAHN C[S@](=O)c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000095409641 370184192 /nfs/dbraw/zinc/18/41/92/370184192.db2.gz XLSHDABJEKNGQL-HXUWFJFHSA-N 0 3 285.412 3.203 50 0 CGAAHN CCn1c(C)nnc1CN[C@H](C)[C@H](C)C1CCCCC1 ZINC000097110883 370226221 /nfs/dbraw/zinc/22/62/21/370226221.db2.gz JCYCWHAZMHXTNL-QWHCGFSZSA-N 0 3 278.444 3.301 50 0 CGAAHN Cc1ccc(CNCCSCc2cccs2)nc1 ZINC000097228132 370235616 /nfs/dbraw/zinc/23/56/16/370235616.db2.gz GIAHTNDAUFZXFM-UHFFFAOYSA-N 0 3 278.446 3.475 50 0 CGAAHN Cc1cc(Cl)ccc1NC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000097463566 370241969 /nfs/dbraw/zinc/24/19/69/370241969.db2.gz JEEMTKLHFWOONM-CYBMUJFWSA-N 0 3 295.814 3.206 50 0 CGAAHN Cc1cccc(NC(=O)CCN[C@H](C)c2ccsc2)n1 ZINC000095421113 370187935 /nfs/dbraw/zinc/18/79/35/370187935.db2.gz IOVCOOQHVLJSDR-GFCCVEGCSA-N 0 3 289.404 3.131 50 0 CGAAHN Cc1cccc([C@@H](C)NCc2ccccc2OCCO)c1 ZINC000095423124 370190162 /nfs/dbraw/zinc/19/01/62/370190162.db2.gz UDSFFPNOLMDCNJ-OAHLLOKOSA-N 0 3 285.387 3.217 50 0 CGAAHN C(=C\c1ccco1)\CNCc1ccccc1Cn1cccn1 ZINC000098059537 370261350 /nfs/dbraw/zinc/26/13/50/370261350.db2.gz JIZGKVLQYKXLFP-BAQGIRSFSA-N 0 3 293.370 3.327 50 0 CGAAHN COc1ccc(CN2C[C@H]3CC[C@@H](C2)[C@H]3OC)cc1Cl ZINC000102231886 370299949 /nfs/dbraw/zinc/29/99/49/370299949.db2.gz SLQILSHBMPAUSF-VIKVFOODSA-N 0 3 295.810 3.205 50 0 CGAAHN CCCN(CCO)Cc1ccc2cccc(Cl)c2n1 ZINC000219503182 376202258 /nfs/dbraw/zinc/20/22/58/376202258.db2.gz JIVPRPLGPCQMEY-UHFFFAOYSA-N 0 3 278.783 3.093 50 0 CGAAHN c1csc(-c2ccc(N[C@H]3CN4CCC3CC4)cc2)n1 ZINC000037765708 541865563 /nfs/dbraw/zinc/86/55/63/541865563.db2.gz ZMDIRULZJOWNBQ-HNNXBMFYSA-N 0 3 285.416 3.316 50 0 CGAAHN c1cncc(-c2ccc(CN3CCCCC3)cn2)c1 ZINC000426383200 372155114 /nfs/dbraw/zinc/15/51/14/372155114.db2.gz ZWGDLOVEMRQRFJ-UHFFFAOYSA-N 0 3 253.349 3.130 50 0 CGAAHN Clc1ccccc1[C@H]1CCN(CCn2cccn2)C1 ZINC000299784241 373611458 /nfs/dbraw/zinc/61/14/58/373611458.db2.gz WOIZRMWHEQFNRO-ZDUSSCGKSA-N 0 3 275.783 3.026 50 0 CGAAHN Cc1ccn(CCN2CCC[C@@H]2c2ccccc2)n1 ZINC000299784589 373612668 /nfs/dbraw/zinc/61/26/68/373612668.db2.gz MLAUHXMNJODCSN-MRXNPFEDSA-N 0 3 255.365 3.029 50 0 CGAAHN CN(C)CCN[C@H]1CCOc2ccc(-c3ccccc3)cc21 ZINC000299804088 373614421 /nfs/dbraw/zinc/61/44/21/373614421.db2.gz YDAVDXJOYCFEOX-SFHVURJKSA-N 0 3 296.414 3.328 50 0 CGAAHN OCc1ccc(CN[C@H]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000239367138 376774751 /nfs/dbraw/zinc/77/47/51/376774751.db2.gz AHRCGOTZFYQPFD-ZFWWWQNUSA-N 0 3 289.350 3.337 50 0 CGAAHN C[C@@H](c1cccs1)N(C)CCc1cscn1 ZINC000253415713 377688947 /nfs/dbraw/zinc/68/89/47/377688947.db2.gz LOXVOZWALZBTHP-JTQLQIEISA-N 0 3 252.408 3.440 50 0 CGAAHN CN(Cc1ccc(C2CCCC2)cc1)C1(CO)CC1 ZINC000343973639 378148576 /nfs/dbraw/zinc/14/85/76/378148576.db2.gz POBCZKMKQJXJPB-UHFFFAOYSA-N 0 3 259.393 3.301 50 0 CGAAHN CC(C)CN1CCN(c2ccc(Br)cc2)CC1 ZINC000021987169 391941846 /nfs/dbraw/zinc/94/18/46/391941846.db2.gz XBJBGNSWTQKKHP-UHFFFAOYSA-N 0 3 297.240 3.227 50 0 CGAAHN Cc1cccc(C(C)C)c1NC(=O)N1CCCN(C)CC1 ZINC000095460822 392242767 /nfs/dbraw/zinc/24/27/67/392242767.db2.gz XWYWWBBFRADQDY-UHFFFAOYSA-N 0 3 289.423 3.288 50 0 CGAAHN CCC(=O)N1CCCN([C@H](C)c2cccc(C)c2)CC1 ZINC000072579292 392208429 /nfs/dbraw/zinc/20/84/29/392208429.db2.gz QPPNDOUHTVYPSN-OAHLLOKOSA-N 0 3 274.408 3.000 50 0 CGAAHN Cc1cccc([C@@H]2CCCN(Cc3cncn3C)C2)c1 ZINC000216532645 392991348 /nfs/dbraw/zinc/99/13/48/392991348.db2.gz DLFYRDUPPQQGHF-MRXNPFEDSA-N 0 3 269.392 3.108 50 0 CGAAHN CNCc1cccc(NC(=O)C2CCC(F)(F)CC2)c1 ZINC000216474540 392991400 /nfs/dbraw/zinc/99/14/00/392991400.db2.gz DOWSMGOECBJLCZ-UHFFFAOYSA-N 0 3 282.334 3.170 50 0 CGAAHN CC(C)(O)[C@H]1CCN(Cc2[nH]c3ccccc3c2Cl)C1 ZINC000670447794 543155784 /nfs/dbraw/zinc/15/57/84/543155784.db2.gz PQMQXUYCZIZANL-NSHDSACASA-N 0 3 292.810 3.414 50 0 CGAAHN COc1ccc(/N=c2/ccc3ccccc3n2C)cc1 ZINC000100848090 397644226 /nfs/dbraw/zinc/64/42/26/397644226.db2.gz SWSYACSQDKOCPG-ZCXUNETKSA-N 0 3 264.328 3.419 50 0 CGAAHN OCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000004942915 170043702 /nfs/dbraw/zinc/04/37/02/170043702.db2.gz TZWNUAFSYANNFB-UHFFFAOYSA-N 0 3 286.158 3.335 50 0 CGAAHN Cc1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 ZINC000004993230 170051310 /nfs/dbraw/zinc/05/13/10/170051310.db2.gz JLAYHQZRQPWOJW-UHFFFAOYSA-N 0 3 278.355 3.126 50 0 CGAAHN Cc1ccc2c(CN3CCCCC3)cc(=O)oc2c1C ZINC000005216316 170077205 /nfs/dbraw/zinc/07/72/05/170077205.db2.gz BBZDVNGYXPAOHO-UHFFFAOYSA-N 0 3 271.360 3.396 50 0 biogenic CGAAHN CC[C@H](C)c1ccc(NC(=O)NC2CCN(C)CC2)cc1 ZINC000006728975 170234132 /nfs/dbraw/zinc/23/41/32/170234132.db2.gz DACUVBKYXDHFGO-ZDUSSCGKSA-N 0 3 289.423 3.416 50 0 CGAAHN CN(C)CCNc1ncnc2sc(-c3ccccc3)cc21 ZINC000007004808 170261206 /nfs/dbraw/zinc/26/12/06/170261206.db2.gz OWSNUUWZYRMBCB-UHFFFAOYSA-N 0 3 298.415 3.332 50 0 CGAAHN C[C@H]1CN(CCCCOc2ccc(F)cc2)C[C@H](C)O1 ZINC000020168128 171040758 /nfs/dbraw/zinc/04/07/58/171040758.db2.gz GQHHYJDZVGBDKK-KBPBESRZSA-N 0 3 281.371 3.094 50 0 CGAAHN CN(C)CCn1ccc(-c2cccc(-c3nccs3)c2)n1 ZINC000020598255 171266175 /nfs/dbraw/zinc/26/61/75/171266175.db2.gz CYEBWXMOCCTZFD-UHFFFAOYSA-N 0 3 298.415 3.235 50 0 CGAAHN Cc1cccc(NC(=O)Nc2cccc(CN)c2)c1 ZINC000022144140 171355855 /nfs/dbraw/zinc/35/58/55/171355855.db2.gz JMGHBGDVNXGGGH-UHFFFAOYSA-N 0 3 255.321 3.098 50 0 CGAAHN c1ccc([C@H](NC[C@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174616 172027481 /nfs/dbraw/zinc/02/74/81/172027481.db2.gz LFXVBZGVFLLDLM-MSOLQXFVSA-N 0 3 282.387 3.330 50 0 CGAAHN Cc1ccc(Oc2ccc(CN3CCCC3)cc2)nn1 ZINC000067851133 175797640 /nfs/dbraw/zinc/79/76/40/175797640.db2.gz JINBRXJAVTXTAC-UHFFFAOYSA-N 0 3 269.348 3.173 50 0 CGAAHN CN1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000071375720 176140554 /nfs/dbraw/zinc/14/05/54/176140554.db2.gz HLZWJDHGAIUOEQ-SECBINFHSA-N 0 3 287.190 3.274 50 0 CGAAHN Cc1cnn(C[C@@H](C)NCc2ccc(F)c3cccnc23)c1 ZINC000071874922 176284608 /nfs/dbraw/zinc/28/46/08/176284608.db2.gz SLBPCKLROUSDRY-CYBMUJFWSA-N 0 3 298.365 3.057 50 0 CGAAHN c1cc2ccc(N[C@@H]3CCN(Cc4ccccc4)C3)nc2[nH]1 ZINC000072152151 176327503 /nfs/dbraw/zinc/32/75/03/176327503.db2.gz CECSEVYSFIBBIE-MRXNPFEDSA-N 0 3 292.386 3.249 50 0 CGAAHN CC[C@H]1CN(Cc2cccc(F)c2C)CCN1C(C)C ZINC000072169840 176332160 /nfs/dbraw/zinc/33/21/60/176332160.db2.gz POACFCZITUWCPN-INIZCTEOSA-N 0 3 278.415 3.439 50 0 CGAAHN CS[C@@H](C)CCN(Cc1cccnc1)C1CC1 ZINC000216462327 416520580 /nfs/dbraw/zinc/52/05/80/416520580.db2.gz UFHHUZQWAFHGRO-LBPRGKRZSA-N 0 3 250.411 3.188 50 0 CGAAHN c1cc([C@H]2CCCN(C[C@@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676724 543858223 /nfs/dbraw/zinc/85/82/23/543858223.db2.gz DTCOQFMHFPHCRR-GJZGRUSLSA-N 0 3 289.423 3.081 50 0 CGAAHN C[C@@H]1CN(Cc2ccccc2)Cc2ccccc2O1 ZINC000015001966 274355672 /nfs/dbraw/zinc/35/56/72/274355672.db2.gz IYSYEILZOPXXHL-CQSZACIVSA-N 0 3 253.345 3.470 50 0 CGAAHN CC1=CCC[C@@H](C)[C@H]1CNCc1nccn1C(F)F ZINC000097098535 275910189 /nfs/dbraw/zinc/91/01/89/275910189.db2.gz FJIWBWQJRIOODX-NEPJUHHUSA-N 0 3 269.339 3.360 50 0 CGAAHN CC[C@H](NCc1ncccc1C(F)(F)F)[C@H]1CCCO1 ZINC000097035057 276587164 /nfs/dbraw/zinc/58/71/64/276587164.db2.gz VCGPBNRDPPYQHL-WCQYABFASA-N 0 3 288.313 3.148 50 0 CGAAHN COc1ccc(Br)cc1[C@H]1CCCCN1 ZINC000003734672 277870043 /nfs/dbraw/zinc/87/00/43/277870043.db2.gz BJLLFGJZHAQELM-LLVKDONJSA-N 0 3 270.170 3.272 50 0 CGAAHN CC(C)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000013775551 278041816 /nfs/dbraw/zinc/04/18/16/278041816.db2.gz KXFRKOLWQUNVEL-UHFFFAOYSA-N 0 3 291.464 3.191 50 0 CGAAHN CCSC[C@@H](C)NCc1sc(CC)nc1C ZINC000534654439 328339108 /nfs/dbraw/zinc/33/91/08/328339108.db2.gz CFBIPQVKOIIEED-SECBINFHSA-N 0 3 258.456 3.245 50 0 CGAAHN CCC(CC)C(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC000027664239 326878575 /nfs/dbraw/zinc/87/85/75/326878575.db2.gz VUTCCVAQFVJLHL-CQSZACIVSA-N 0 3 294.464 3.437 50 0 CGAAHN OC[C@H]1C=C[C@@H](N[C@H]2CCCOc3cc(Cl)ccc32)C1 ZINC000195558644 336056199 /nfs/dbraw/zinc/05/61/99/336056199.db2.gz UNJRFYAESCTNGR-LNSITVRQSA-N 0 3 293.794 3.080 50 0 CGAAHN CN(C)CCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000019872338 521788540 /nfs/dbraw/zinc/78/85/40/521788540.db2.gz ZWRUGJMQKYDOJC-UHFFFAOYSA-N 0 3 278.783 3.251 50 0 CGAAHN c1ccc2c(c1)SCC[C@H]2NCCOC[C@@H]1CCCO1 ZINC000096477722 526512276 /nfs/dbraw/zinc/51/22/76/526512276.db2.gz FAJLAJSMCIZKJZ-DZGCQCFKSA-N 0 3 293.432 3.009 50 0 CGAAHN C[C@H](Cc1ccccc1)NC(=O)c1ccc(CN(C)C)cc1 ZINC000033640301 570404896 /nfs/dbraw/zinc/40/48/96/570404896.db2.gz YZPVTFSJDLMIEM-OAHLLOKOSA-N 0 3 296.414 3.109 50 0 CGAAHN O=C(Nc1cccc2ccccc21)N[C@H]1CN2CCC1CC2 ZINC000000371485 640922717 /nfs/dbraw/zinc/92/27/17/640922717.db2.gz IKADEPQOPOIEBP-KRWDZBQOSA-N 0 3 295.386 3.056 50 0 CGAAHN Cc1cc(C)cc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c1 ZINC000005578637 230369632 /nfs/dbraw/zinc/36/96/32/230369632.db2.gz ZGBITCLDOGNTLC-AEFFLSMTSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(NC(=O)c2cccnc2C)c(CN(C)C)c1 ZINC000095991077 185058305 /nfs/dbraw/zinc/05/83/05/185058305.db2.gz LILBWZUSIVLJKW-UHFFFAOYSA-N 0 3 283.375 3.012 50 0 CGAAHN C[C@H](COc1ccc(F)cc1)N[C@H](C)c1ccncc1 ZINC000097032668 185155868 /nfs/dbraw/zinc/15/58/68/185155868.db2.gz GPXJGQCQQHVPIO-CHWSQXEVSA-N 0 3 274.339 3.339 50 0 CGAAHN CCc1ccc([C@H](C)NC[C@H](O)c2cccc(OC)c2)o1 ZINC000097016886 529721792 /nfs/dbraw/zinc/72/17/92/529721792.db2.gz TUZHPILDFNZIBB-LRDDRELGSA-N 0 3 289.375 3.235 50 0 CGAAHN Cc1cc(C)n(C[C@H]2CCCN2[C@H](C)c2cccnc2)n1 ZINC000106843698 345933371 /nfs/dbraw/zinc/93/33/71/345933371.db2.gz YGPOTJIDBWROFQ-NVXWUHKLSA-N 0 3 284.407 3.121 50 0 CGAAHN C[C@@H](NC1(CO)CC1)c1ccc(SC(F)F)cc1 ZINC000170068523 346193462 /nfs/dbraw/zinc/19/34/62/346193462.db2.gz JNZRGORRYQIERW-SECBINFHSA-N 0 3 273.348 3.177 50 0 CGAAHN CCOC(=O)N[C@H]1CCCN(CCC2CCCCC2)C1 ZINC000170646249 346196262 /nfs/dbraw/zinc/19/62/62/346196262.db2.gz ZUHXKZGISHJAHG-HNNXBMFYSA-N 0 3 282.428 3.167 50 0 CGAAHN Nc1cccc(-c2ccc(CN3CCCCC3)cn2)c1 ZINC000097634913 185641617 /nfs/dbraw/zinc/64/16/17/185641617.db2.gz NXUCGJFSOSBKRI-UHFFFAOYSA-N 0 3 267.376 3.317 50 0 CGAAHN CC(C)n1ncc2c1[C@H](NCc1ccc(O)cc1)CCC2 ZINC000195575975 346274793 /nfs/dbraw/zinc/27/47/93/346274793.db2.gz KSTJUIWFQFWNEE-MRXNPFEDSA-N 0 3 285.391 3.337 50 0 CGAAHN Cc1ccc([C@H](NC2CCOCC2)c2ccncc2)cc1 ZINC000584886241 346721267 /nfs/dbraw/zinc/72/12/67/346721267.db2.gz CNUCFOCHCRKJGO-SFHVURJKSA-N 0 3 282.387 3.248 50 0 CGAAHN CCn1ccnc1[C@H]1CCCN(Cc2cccc(OC)c2)C1 ZINC000091997242 180303035 /nfs/dbraw/zinc/30/30/35/180303035.db2.gz YLURWNWJRXFHPT-INIZCTEOSA-N 0 3 299.418 3.291 50 0 CGAAHN CCOC(=O)[C@H]1CCCN(C/C(C)=C/c2ccccc2)C1 ZINC000000218177 368319321 /nfs/dbraw/zinc/31/93/21/368319321.db2.gz AUTSTKCIXFOVDJ-VMEIHUARSA-N 0 3 287.403 3.365 50 0 CGAAHN COc1cc(CNCc2ccccc2)cc(OC)c1OC ZINC000000152525 368303832 /nfs/dbraw/zinc/30/38/32/368303832.db2.gz WQWDVPAAEXTUIK-UHFFFAOYSA-N 0 3 287.359 3.002 50 0 CGAAHN O=C(CCN1CC[C@@H](c2ccccc2)C1)c1ccco1 ZINC000000177661 368310488 /nfs/dbraw/zinc/31/04/88/368310488.db2.gz HKXAITHKWSZGRG-OAHLLOKOSA-N 0 3 269.344 3.342 50 0 CGAAHN CC1CCC(N2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000000285211 368333238 /nfs/dbraw/zinc/33/32/38/368333238.db2.gz OXSFNRQYYBUWOU-UHFFFAOYSA-N 0 3 286.419 3.023 50 0 CGAAHN C[C@H](Cc1ccccc1[S@@](=O)c1ccccc1)N(C)C ZINC000004146789 368533820 /nfs/dbraw/zinc/53/38/20/368533820.db2.gz FIQXYWPZJOQLQV-JLTOFOAXSA-N 0 3 287.428 3.346 50 0 CGAAHN CC(=O)c1ccc(N2CCN(C[C@@H]3CC=CCC3)CC2)cc1 ZINC000004980583 368559302 /nfs/dbraw/zinc/55/93/02/368559302.db2.gz IRUMCGPDHMOZEG-QGZVFWFLSA-N 0 3 298.430 3.368 50 0 CGAAHN COc1cccc(OC/C=C/CN2CCC(C)CC2)c1 ZINC000016622884 368718149 /nfs/dbraw/zinc/71/81/49/368718149.db2.gz QDIDIPNZIOFORW-ONEGZZNKSA-N 0 3 275.392 3.362 50 0 CGAAHN Cc1noc(C2CN(Cc3cccc4ccccc43)C2)n1 ZINC000049482658 369403676 /nfs/dbraw/zinc/40/36/76/369403676.db2.gz AGSPPBLOCMRCTJ-UHFFFAOYSA-N 0 3 279.343 3.131 50 0 CGAAHN CN(C)[C@H](CNCc1cc(F)c(F)c(F)c1)c1ccco1 ZINC000062705774 369629047 /nfs/dbraw/zinc/62/90/47/369629047.db2.gz WIOYGSDXGBPAMP-CYBMUJFWSA-N 0 3 298.308 3.089 50 0 CGAAHN CN1CC=C(c2cnn(CC3CCCCC3)c2)CC1 ZINC000067513531 369719023 /nfs/dbraw/zinc/71/90/23/369719023.db2.gz WDEJNAIAVRVMOJ-UHFFFAOYSA-N 0 3 259.397 3.182 50 0 CGAAHN Cc1nc(CN[C@@H](C)Cc2cccc(F)c2)cs1 ZINC000065395314 369672496 /nfs/dbraw/zinc/67/24/96/369672496.db2.gz XREIZRAAMOTGJL-JTQLQIEISA-N 0 3 264.369 3.311 50 0 CGAAHN Cc1ccc(-c2ccccc2[C@H]2NCCc3nc[nH]c32)o1 ZINC000065394578 369672843 /nfs/dbraw/zinc/67/28/43/369672843.db2.gz ASMLWNDTOOWDGL-MRXNPFEDSA-N 0 3 279.343 3.213 50 0 CGAAHN Cc1cccc(OCCN(C)Cc2cc(C3CC3)[nH]n2)c1C ZINC000065406995 369673891 /nfs/dbraw/zinc/67/38/91/369673891.db2.gz PBUOQLHCYKJVCI-UHFFFAOYSA-N 0 3 299.418 3.415 50 0 CGAAHN CCn1cc(CN[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cn1 ZINC000072746687 369837457 /nfs/dbraw/zinc/83/74/57/369837457.db2.gz TYVFBOLKDXOCLJ-MSOLQXFVSA-N 0 3 299.418 3.221 50 0 CGAAHN Clc1cccc(CN2CCN3CCCC[C@@H]3C2)c1 ZINC000090824827 370070556 /nfs/dbraw/zinc/07/05/56/370070556.db2.gz WUFVXZRPDYWJSM-OAHLLOKOSA-N 0 3 264.800 3.010 50 0 CGAAHN Cc1ccnc(NC[C@@H](c2ccccc2)N2CCCCC2)n1 ZINC000095382319 370180516 /nfs/dbraw/zinc/18/05/16/370180516.db2.gz SVMDTWRFIITMMJ-KRWDZBQOSA-N 0 3 296.418 3.424 50 0 CGAAHN CN(Cc1cccnc1)C1CCN(c2cccc(F)c2)CC1 ZINC000095407508 370183619 /nfs/dbraw/zinc/18/36/19/370183619.db2.gz PBDPOQUNCUFQEQ-UHFFFAOYSA-N 0 3 299.393 3.322 50 0 CGAAHN CCN(CCc1nccs1)Cc1cccs1 ZINC000093764483 370158241 /nfs/dbraw/zinc/15/82/41/370158241.db2.gz OVSTWHPKSDBZCI-UHFFFAOYSA-N 0 3 252.408 3.269 50 0 CGAAHN Cc1nnc(CN[C@H](C)[C@@H](C)c2ccccc2)n1C1CC1 ZINC000097110008 370226151 /nfs/dbraw/zinc/22/61/51/370226151.db2.gz XVPMPDGTNJZDNM-CHWSQXEVSA-N 0 3 284.407 3.203 50 0 CGAAHN COc1ccc(CN2CC(c3cccnc3)C2)c(C)c1C ZINC000097217671 370234115 /nfs/dbraw/zinc/23/41/15/370234115.db2.gz ZKGYTAUVLLZCNU-UHFFFAOYSA-N 0 3 282.387 3.306 50 0 CGAAHN Cc1nccn1CCN(C)Cc1cccc(C(F)(F)F)c1 ZINC000097532571 370244872 /nfs/dbraw/zinc/24/48/72/370244872.db2.gz MLIZAUQGTMPKGT-UHFFFAOYSA-N 0 3 297.324 3.342 50 0 CGAAHN Cc1nnc(CN[C@@H]2CCCC[C@H]2Cc2ccccc2)n1C ZINC000119054229 370640657 /nfs/dbraw/zinc/64/06/57/370640657.db2.gz MOPNOADIDKIPBU-DLBZAZTESA-N 0 3 298.434 3.015 50 0 CGAAHN COc1ccc(CNC2CC2)cc1OCc1ccco1 ZINC000299763034 373609519 /nfs/dbraw/zinc/60/95/19/373609519.db2.gz GCBOAVTYTYAOTN-UHFFFAOYSA-N 0 3 273.332 3.119 50 0 CGAAHN CCN1CCC[C@@H](Nc2cc(C)c3ccccc3n2)C1 ZINC000312316398 374277915 /nfs/dbraw/zinc/27/79/15/374277915.db2.gz RAEVOXRKVRPQQP-CQSZACIVSA-N 0 3 269.392 3.439 50 0 CGAAHN Cc1cc(C)c2c(c1)[C@H](N[C@@H]1C=C[C@H](CO)C1)CCCO2 ZINC000183580178 374430092 /nfs/dbraw/zinc/43/00/92/374430092.db2.gz WRFDNLSNORLXSU-ZMSDIMECSA-N 0 3 287.403 3.044 50 0 CGAAHN Cc1noc(CC2CCN(C/C=C/c3ccccc3)CC2)n1 ZINC000215381970 376148722 /nfs/dbraw/zinc/14/87/22/376148722.db2.gz PKWHNAKGDLPASW-VMPITWQZSA-N 0 3 297.402 3.346 50 0 CGAAHN CCCn1ncc(CN2CCC[C@]3(CCCO3)CC2)c1C ZINC000215822961 376152276 /nfs/dbraw/zinc/15/22/76/376152276.db2.gz ZDFBGLFOADTADO-KRWDZBQOSA-N 0 3 291.439 3.137 50 0 CGAAHN CN(Cc1ccc2ccn(C)c2c1)C[C@H]1CCCCO1 ZINC000216428717 376162902 /nfs/dbraw/zinc/16/29/02/376162902.db2.gz JNRMQSJTVNSMRU-MRXNPFEDSA-N 0 3 272.392 3.179 50 0 CGAAHN COCCN(Cc1ccc2cc(F)ccc2n1)CC1CC1 ZINC000222464258 376234973 /nfs/dbraw/zinc/23/49/73/376234973.db2.gz NGDRANOKOWXECB-UHFFFAOYSA-N 0 3 288.366 3.232 50 0 CGAAHN CC[C@H](Nc1ccnc2ccccc21)[C@H]1C[C@@H](O)C1 ZINC000222662432 376240734 /nfs/dbraw/zinc/24/07/34/376240734.db2.gz FXCCEKPJTXIRRN-OBJOEFQTSA-N 0 3 256.349 3.196 50 0 CGAAHN Cc1cn2c(n1)CC[C@H](NCc1sccc1Cl)C2 ZINC000225609806 376318609 /nfs/dbraw/zinc/31/86/09/376318609.db2.gz OAYCPUKIINHEGW-JTQLQIEISA-N 0 3 281.812 3.011 50 0 CGAAHN c1cc2c(o1)CCC[C@@H]2NCc1ccc2c[nH]nc2c1 ZINC000236597502 376668893 /nfs/dbraw/zinc/66/88/93/376668893.db2.gz KMGDHEPTKSETCA-AWEZNQCLSA-N 0 3 267.332 3.323 50 0 CGAAHN CC[C@H](NCCSC(C)C)c1c(C)nn(C)c1C ZINC000241213423 376776136 /nfs/dbraw/zinc/77/61/36/376776136.db2.gz KOQQWPDGOGYLQY-ZDUSSCGKSA-N 0 3 269.458 3.219 50 0 CGAAHN Cc1nc(CCN(C)CC[C@@H](O)c2ccccc2)cs1 ZINC000244887811 376798988 /nfs/dbraw/zinc/79/89/88/376798988.db2.gz YOZSEXPPPOJLGB-MRXNPFEDSA-N 0 3 290.432 3.050 50 0 CGAAHN C[C@@H](NCC[C@H]1CCO[C@H](C)C1)c1cn2ccccc2n1 ZINC000559910196 377108513 /nfs/dbraw/zinc/10/85/13/377108513.db2.gz WJRSGSYBZSRAQR-KFWWJZLASA-N 0 3 287.407 3.190 50 0 CGAAHN COc1ccc([C@H](CN(C)C)NCc2cccs2)cc1 ZINC000253416453 377691031 /nfs/dbraw/zinc/69/10/31/377691031.db2.gz DOIMPAVXGWRFRV-INIZCTEOSA-N 0 3 290.432 3.149 50 0 CGAAHN CCc1ccc(CN2CCC[C@H](Cn3ccnc3C)C2)o1 ZINC000670448392 543155777 /nfs/dbraw/zinc/15/57/77/543155777.db2.gz CBCFKJBBAUCHBT-HNNXBMFYSA-N 0 3 287.407 3.259 50 0 CGAAHN Cc1cc(CN(C)C2CCN(Cc3ccco3)CC2)ccn1 ZINC000670459801 543156316 /nfs/dbraw/zinc/15/63/16/543156316.db2.gz DDXIDXNDVATZDB-UHFFFAOYSA-N 0 3 299.418 3.079 50 0 CGAAHN CC[N@@H+]1CCCC[C@H]1C[N-]c1nc(-c2ccccc2)no1 ZINC000674263123 543278419 /nfs/dbraw/zinc/27/84/19/543278419.db2.gz SZEPSZDWTYHRTD-AWEZNQCLSA-N 0 3 286.379 3.023 50 0 CGAAHN CC[N@H+]1CCCC[C@H]1C[N-]c1nc(-c2ccccc2)no1 ZINC000674263123 543278420 /nfs/dbraw/zinc/27/84/20/543278420.db2.gz SZEPSZDWTYHRTD-AWEZNQCLSA-N 0 3 286.379 3.023 50 0 CGAAHN COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)NCC2 ZINC000019300581 286260944 /nfs/dbraw/zinc/26/09/44/286260944.db2.gz KWBPKDVQTDDUMU-KRWDZBQOSA-N 0 3 287.334 3.078 50 0 biogenic CGAAHN Cc1nc(C)c(CN2C[C@H](C)S[C@@H](C)C2)s1 ZINC000075893144 165106258 /nfs/dbraw/zinc/10/62/58/165106258.db2.gz NDICNBIAONANRC-IUCAKERBSA-N 0 3 256.440 3.086 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@@H](c1cccc(Cl)c1)NCC2 ZINC000002944602 169845634 /nfs/dbraw/zinc/84/56/34/169845634.db2.gz XYHROWNMYDANFB-ZNMIVQPWSA-N 0 3 265.784 3.296 50 0 CGAAHN O[C@@H](COc1cccc2ccccc21)CN1CCCCC1 ZINC000004851835 170030093 /nfs/dbraw/zinc/03/00/93/170030093.db2.gz YIGFKEFULNCVMP-MRXNPFEDSA-N 0 3 285.387 3.065 50 0 CGAAHN COc1ccc(CN2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000004989376 170050225 /nfs/dbraw/zinc/05/02/25/170050225.db2.gz VPYIBXONAYEZTD-BETUJISGSA-N 0 3 263.381 3.182 50 0 CGAAHN Cc1cc(C)c(OCCN2CCCC2)c(Cl)c1 ZINC000005023556 170057358 /nfs/dbraw/zinc/05/73/58/170057358.db2.gz ZYOMWRIOGWKUCN-UHFFFAOYSA-N 0 3 253.773 3.431 50 0 CGAAHN COc1ccc(CNCc2ccc(F)c(F)c2)cc1 ZINC000005513739 170106881 /nfs/dbraw/zinc/10/68/81/170106881.db2.gz ZTMMGFMRCFOHMR-UHFFFAOYSA-N 0 3 263.287 3.263 50 0 CGAAHN Cc1cccc(C)c1OC[C@H](O)CN[C@@H](C)c1ccccc1 ZINC000005559748 170113540 /nfs/dbraw/zinc/11/35/40/170113540.db2.gz INACUIBQMCMRKE-FUHWJXTLSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(NC(=O)NCCN2CCCCC2)cc1Cl ZINC000006741335 170237381 /nfs/dbraw/zinc/23/73/81/170237381.db2.gz LITPOYHGPXVFFE-UHFFFAOYSA-N 0 3 295.814 3.256 50 0 CGAAHN C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C1CC1 ZINC000008727354 170349968 /nfs/dbraw/zinc/34/99/68/170349968.db2.gz FTYGKUVHBYFRFL-AWEZNQCLSA-N 0 3 286.419 3.201 50 0 CGAAHN CN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000009315200 170371399 /nfs/dbraw/zinc/37/13/99/170371399.db2.gz YMFNEQYNFBISCU-UHFFFAOYSA-N 0 3 294.398 3.178 50 0 CGAAHN CC(C)C[C@@H](CNCc1ccc(F)cc1F)N(C)C ZINC000020201095 171064821 /nfs/dbraw/zinc/06/48/21/171064821.db2.gz ZKIWUEKNXPFCBX-AWEZNQCLSA-N 0 3 270.367 3.031 50 0 CGAAHN Cc1ccccc1OC1CCN(CCc2ccccn2)CC1 ZINC000020513414 171231395 /nfs/dbraw/zinc/23/13/95/171231395.db2.gz WYUPLAPBLZKYQL-UHFFFAOYSA-N 0 3 296.414 3.476 50 0 CGAAHN CCN[C@H](c1cccnc1)c1ccc2c(c1)CCC2 ZINC000035551394 172258643 /nfs/dbraw/zinc/25/86/43/172258643.db2.gz GLJGVOUSCXFWPM-KRWDZBQOSA-N 0 3 252.361 3.269 50 0 CGAAHN C[C@H](CO)N[C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000035602791 172290546 /nfs/dbraw/zinc/29/05/46/172290546.db2.gz ZYLVNUQSDBHOQB-BDAKNGLRSA-N 0 3 298.180 3.227 50 0 CGAAHN Cc1nc(-c2ccc(N[C@H]3CN4CCC3CC4)cc2)co1 ZINC000037508759 173242562 /nfs/dbraw/zinc/24/25/62/173242562.db2.gz XOZYTEGBRYIMEW-INIZCTEOSA-N 0 3 283.375 3.156 50 0 CGAAHN C[C@H](NC[C@@H]1CCCOC1)c1ccccc1Cl ZINC000038043582 174050723 /nfs/dbraw/zinc/05/07/23/174050723.db2.gz PNPBDHFNNWNTJN-RYUDHWBXSA-N 0 3 253.773 3.417 50 0 CGAAHN COc1nccnc1Oc1ccccc1CN1CCCCC1 ZINC000067803645 175793075 /nfs/dbraw/zinc/79/30/75/175793075.db2.gz BWZGKEHYGQHMGC-UHFFFAOYSA-N 0 3 299.374 3.263 50 0 CGAAHN c1ccc(COC2CCN(Cc3cccnc3)CC2)cc1 ZINC000072159475 176329649 /nfs/dbraw/zinc/32/96/49/176329649.db2.gz SJRMWAAJRAYTCO-UHFFFAOYSA-N 0 3 282.387 3.263 50 0 CGAAHN Cc1noc(C)c1CN1C[C@H]2CCN(c3ccccc3)[C@@H]2C1 ZINC000685945168 544110584 /nfs/dbraw/zinc/11/05/84/544110584.db2.gz LMTGWBHEPMICMK-CRAIPNDOSA-N 0 3 297.402 3.002 50 0 CGAAHN COc1ccc(F)c(CN(C)CCC[C@@H]2CCCO2)c1 ZINC000215023355 262338738 /nfs/dbraw/zinc/33/87/38/262338738.db2.gz GNZKGWJILDJKPY-CQSZACIVSA-N 0 3 281.371 3.225 50 0 CGAAHN CC(=O)Nc1ccc2c(c1)[C@@H](N(C)C)c1ccccc1-2 ZINC000004759623 273494662 /nfs/dbraw/zinc/49/46/62/273494662.db2.gz ZHDGDMCGQFDHLP-KRWDZBQOSA-N 0 3 266.344 3.276 50 0 CGAAHN COC(CN[C@@H]1CCCc2c3cc(C)ccc3[nH]c21)OC ZINC000000200163 274012917 /nfs/dbraw/zinc/01/29/17/274012917.db2.gz GSXRCCZMEJMMRI-OAHLLOKOSA-N 0 3 288.391 3.062 50 0 biogenic CGAAHN O=C(Nc1ccccc1)N1CCC[C@H]1CN1CCCCC1 ZINC000069221221 280039046 /nfs/dbraw/zinc/03/90/46/280039046.db2.gz NHEVIOPCNBYGLC-INIZCTEOSA-N 0 3 287.407 3.169 50 0 CGAAHN c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2 ZINC000016696635 280491651 /nfs/dbraw/zinc/49/16/51/280491651.db2.gz JLOAJISUHPIQOX-UHFFFAOYSA-N 0 3 295.411 3.135 50 0 in-vitro CGAAHN CO[C@@H]1CCCN(Cc2ccc3nc(C)ccc3c2)C1 ZINC000189717360 328301060 /nfs/dbraw/zinc/30/10/60/328301060.db2.gz YFIYUYZDWMNGDO-MRXNPFEDSA-N 0 3 270.376 3.154 50 0 CGAAHN Clc1ccc(C2(N[C@@H]3CCCOC3)CC2)cc1 ZINC000534651534 328337456 /nfs/dbraw/zinc/33/74/56/328337456.db2.gz SMLHQVWSLHIRPH-CYBMUJFWSA-N 0 3 251.757 3.098 50 0 CGAAHN Cc1ccccc1C(=O)OCCN(C)Cc1ccccc1 ZINC000000472832 525065344 /nfs/dbraw/zinc/06/53/44/525065344.db2.gz PBSOUCOTCRAXQN-UHFFFAOYSA-N 0 3 283.371 3.284 50 0 CGAAHN COc1cccc(CC[C@H]2CCCN(Cc3c[nH]cn3)C2)c1 ZINC000012304264 525902224 /nfs/dbraw/zinc/90/22/24/525902224.db2.gz JBIIMGYAWFAADR-MRXNPFEDSA-N 0 3 299.418 3.263 50 0 CGAAHN COc1cccc(CC[C@H]2CCCN(Cc3cnc[nH]3)C2)c1 ZINC000012304264 525902236 /nfs/dbraw/zinc/90/22/36/525902236.db2.gz JBIIMGYAWFAADR-MRXNPFEDSA-N 0 3 299.418 3.263 50 0 CGAAHN c1coc(C2CCN(C[C@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000864091194 629767069 /nfs/dbraw/zinc/76/70/69/629767069.db2.gz PEUVZGWILZBGJL-OAHLLOKOSA-N 0 3 290.407 3.346 50 0 CGAAHN C[C@H](O)CN[C@@H](Cc1ccccc1Cl)c1ccoc1 ZINC000820803343 632678847 /nfs/dbraw/zinc/67/88/47/632678847.db2.gz KGBJXTZKOGJTPL-NHYWBVRUSA-N 0 3 279.767 3.187 50 0 CGAAHN CCOc1ccc([C@@H](CC)NCc2[nH]cnc2C)cc1 ZINC000952989749 636777225 /nfs/dbraw/zinc/77/72/25/636777225.db2.gz OTRMPBSHDJWWPK-OAHLLOKOSA-N 0 3 273.380 3.358 50 0 CGAAHN Cc1nn(C)c(C)c1[C@H](C)NC/C=C\c1ccccc1 ZINC000098009492 640890515 /nfs/dbraw/zinc/89/05/15/640890515.db2.gz CGGIHWNBIZSMDI-ZWXCPPHNSA-N 0 3 269.392 3.401 50 0 CGAAHN Cc1noc(C)c1CN[C@@H](C)C[C@H](O)c1ccc(F)cc1 ZINC000096486379 230381664 /nfs/dbraw/zinc/38/16/64/230381664.db2.gz VODFCTBRBOVMEJ-QFYYESIMSA-N 0 3 292.354 3.032 50 0 CGAAHN Cc1cnn([C@H]2CCCN(CCC(=O)c3ccccc3)C2)c1 ZINC000182243938 230395701 /nfs/dbraw/zinc/39/57/01/230395701.db2.gz CYJBIXKTXLMHIN-KRWDZBQOSA-N 0 3 297.402 3.101 50 0 CGAAHN Cc1nc(C)c(CN[C@H](C)C[C@H](O)c2cccs2)s1 ZINC000097022845 185153842 /nfs/dbraw/zinc/15/38/42/185153842.db2.gz YPNKGURDQRSSJX-SKDRFNHKSA-N 0 3 296.461 3.423 50 0 CGAAHN CN1CCCC[C@@H]1CNC(=O)Nc1cc(F)cc(Cl)c1 ZINC000097657331 530052477 /nfs/dbraw/zinc/05/24/77/530052477.db2.gz OQNJYCNCCCLZIY-CYBMUJFWSA-N 0 3 299.777 3.085 50 0 CGAAHN O=C(CN1CCC[C@@H]1C1CCCC1)NCC1CCCCC1 ZINC000170643500 346196542 /nfs/dbraw/zinc/19/65/42/346196542.db2.gz PBHJNVJSCQHIMB-QGZVFWFLSA-N 0 3 292.467 3.338 50 0 CGAAHN Cc1ccccc1-n1cc(CN[C@H]2CCCSC2)cn1 ZINC000584897448 346723123 /nfs/dbraw/zinc/72/31/23/346723123.db2.gz OUOQNTTZAPLGLN-HNNXBMFYSA-N 0 3 287.432 3.166 50 0 CGAAHN CS[C@H](C)CN[C@@H](C)c1cccc(NC(C)=O)c1 ZINC000090725479 180032876 /nfs/dbraw/zinc/03/28/76/180032876.db2.gz GWEGWPHTQHABPT-MNOVXSKESA-N 0 3 266.410 3.047 50 0 CGAAHN OCc1ccc(CN2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000092121191 180328399 /nfs/dbraw/zinc/32/83/99/180328399.db2.gz HLWIFZNDWRGYJH-OAHLLOKOSA-N 0 3 289.350 3.118 50 0 CGAAHN Fc1cccc(C=C2CCN([C@H]3CCOC3)CC2)c1 ZINC000408523415 283013121 /nfs/dbraw/zinc/01/31/21/283013121.db2.gz RMYTUHDMOIINBI-INIZCTEOSA-N 0 3 261.340 3.094 50 0 CGAAHN CCOC(=O)C1CCN(Cc2ccc(C)cc2C)CC1 ZINC000000239181 368321976 /nfs/dbraw/zinc/32/19/76/368321976.db2.gz PCUCRCLFAMVSBO-UHFFFAOYSA-N 0 3 275.392 3.079 50 0 CGAAHN CC(C)C[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000057384 368279807 /nfs/dbraw/zinc/27/98/07/368279807.db2.gz JWHURRLUBVMKOT-HNNXBMFYSA-N 0 3 256.349 3.152 50 0 biogenic,in-vitro CGAAHN O[C@H]1CCC[C@@]1(NCc1ccccc1)c1ccccc1 ZINC000000337407 368343152 /nfs/dbraw/zinc/34/31/52/368343152.db2.gz SUUCMHHUDJQGKG-ZWKOTPCHSA-N 0 3 267.372 3.217 50 0 CGAAHN CCc1ccc2oc(=O)cc(CN3CCCCC3)c2c1 ZINC000002117272 368447089 /nfs/dbraw/zinc/44/70/89/368447089.db2.gz SRSQPUKOLPPFOO-UHFFFAOYSA-N 0 3 271.360 3.341 50 0 biogenic CGAAHN COc1ccc(CNCCc2ccc(F)cc2)c(OC)c1 ZINC000002573308 368466123 /nfs/dbraw/zinc/46/61/23/368466123.db2.gz RYBQDTJLXFWGGH-UHFFFAOYSA-N 0 3 289.350 3.175 50 0 CGAAHN Cc1cc(C(C)(C)C)ccc1OCCOCCN(C)C ZINC000002821861 368479490 /nfs/dbraw/zinc/47/94/90/368479490.db2.gz NFONARMHKBPZQE-UHFFFAOYSA-N 0 3 279.424 3.250 50 0 CGAAHN CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010334822 368579950 /nfs/dbraw/zinc/57/99/50/368579950.db2.gz XZGPRAPALUPTEG-UHFFFAOYSA-N 0 3 274.408 3.201 50 0 CGAAHN CC(C)NCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000010436294 368582431 /nfs/dbraw/zinc/58/24/31/368582431.db2.gz HZNGDVJFACRRDI-LBPRGKRZSA-N 0 3 259.349 3.498 50 0 CGAAHN CCOc1c(Cl)cc(CN[C@H](CC)CO)cc1Cl ZINC000010435755 368582486 /nfs/dbraw/zinc/58/24/86/368582486.db2.gz AZZGVGAQLDBKPS-SNVBAGLBSA-N 0 3 292.206 3.253 50 0 CGAAHN CNCc1nc2ccccc2n1CCOc1ccccc1C ZINC000012463138 368614284 /nfs/dbraw/zinc/61/42/84/368614284.db2.gz LHUNOCKFUMQLKI-UHFFFAOYSA-N 0 3 295.386 3.143 50 0 CGAAHN O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1 ZINC000012481474 368614688 /nfs/dbraw/zinc/61/46/88/368614688.db2.gz SHYZLGNMPFROMT-LLVKDONJSA-N 0 3 273.163 3.074 50 0 CGAAHN COc1ccc([C@@H](N)c2ccccc2Cl)cc1OC ZINC000019421374 368751335 /nfs/dbraw/zinc/75/13/35/368751335.db2.gz PPSNIQNKMHWIIM-OAHLLOKOSA-N 0 3 277.751 3.405 50 0 CGAAHN COc1cccc(CCNCc2c(F)cccc2F)c1 ZINC000019564602 368757098 /nfs/dbraw/zinc/75/70/98/368757098.db2.gz KAXAHEQYXOJICY-UHFFFAOYSA-N 0 3 277.314 3.306 50 0 CGAAHN CN1CCN(CCCCSc2ccc(Cl)cc2)CC1 ZINC000020118311 368803399 /nfs/dbraw/zinc/80/33/99/368803399.db2.gz CJKRUZWLJDZUMZ-UHFFFAOYSA-N 0 3 298.883 3.460 50 0 CGAAHN COc1ccc(CC[C@H](C)NCc2ccccn2)cc1 ZINC000023283563 368819674 /nfs/dbraw/zinc/81/96/74/368819674.db2.gz KKBVINXNQHSXCL-AWEZNQCLSA-N 0 3 270.376 3.201 50 0 CGAAHN CC[C@@H](NCc1cnn(C)c1)c1cccc(Cl)c1 ZINC000036921243 369038146 /nfs/dbraw/zinc/03/81/46/369038146.db2.gz QMWWISZWVPUWJI-CQSZACIVSA-N 0 3 263.772 3.314 50 0 CGAAHN CC(=O)N1CCC(N[C@H](C)c2ccccc2Cl)CC1 ZINC000035009626 368987914 /nfs/dbraw/zinc/98/79/14/368987914.db2.gz ONINPYURHPLRND-LLVKDONJSA-N 0 3 280.799 3.002 50 0 CGAAHN O[C@@]12CCCC[C@H]1[C@H](c1ccc(Cl)cc1)NCC2 ZINC000229804381 189802320 /nfs/dbraw/zinc/80/23/20/189802320.db2.gz KUYBDOWEEWZIMG-SOUVJXGZSA-N 0 3 265.784 3.296 50 0 biogenic CGAAHN Cc1cccc(CN(CCN(C)C)Cc2ccsc2)n1 ZINC000055360548 369515390 /nfs/dbraw/zinc/51/53/90/369515390.db2.gz QLQZTGZTGLYZMH-UHFFFAOYSA-N 0 3 289.448 3.015 50 0 CGAAHN CC[C@H](C)C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 ZINC000058299338 369563161 /nfs/dbraw/zinc/56/31/61/369563161.db2.gz WTVDRYUFLSNQMS-KBPBESRZSA-N 0 3 294.464 3.122 50 0 CGAAHN O=C(c1cccc(Cl)c1)N1CCC[C@H]1CN1CCCC1 ZINC000058401328 369567582 /nfs/dbraw/zinc/56/75/82/369567582.db2.gz LNBZLJUFUSHZEQ-HNNXBMFYSA-N 0 3 292.810 3.040 50 0 CGAAHN C[C@@H](c1cccc(Cl)c1)N1CCC2(CC1)OCCO2 ZINC000059931886 369583353 /nfs/dbraw/zinc/58/33/53/369583353.db2.gz ONCUGBITRRXBAY-LBPRGKRZSA-N 0 3 281.783 3.240 50 0 CGAAHN CCCN(Cc1cccs1)Cc1ccc(=O)n(CC)c1 ZINC000065285970 369666971 /nfs/dbraw/zinc/66/69/71/369666971.db2.gz ZZTWFNGGHITBNB-UHFFFAOYSA-N 0 3 290.432 3.342 50 0 CGAAHN CN(C)Cc1ccccc1Oc1ccc(F)c(CO)c1 ZINC000067563388 369720296 /nfs/dbraw/zinc/72/02/96/369720296.db2.gz RYIOXVCCRUWRKC-UHFFFAOYSA-N 0 3 275.323 3.172 50 0 CGAAHN CCc1cnc(C)nc1N[C@@H](CN(C)C)c1ccccc1 ZINC000065533861 369682609 /nfs/dbraw/zinc/68/26/09/369682609.db2.gz OBRHOKPYCCIAGO-INIZCTEOSA-N 0 3 284.407 3.062 50 0 CGAAHN C[C@H](NCc1cnc(-c2ccccc2)s1)[C@@H]1CCCO1 ZINC000066972343 369708721 /nfs/dbraw/zinc/70/87/21/369708721.db2.gz BQRHIGWYYVPRJW-WFASDCNBSA-N 0 3 288.416 3.467 50 0 CGAAHN CN1CCC[C@@H](CO)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000068593619 369745123 /nfs/dbraw/zinc/74/51/23/369745123.db2.gz XQZHTFMWFSPRFQ-AAEUAGOBSA-N 0 3 273.298 3.081 50 0 CGAAHN COc1ccc2ccccc2c1CN[C@@H]1CCN(C2CC2)C1 ZINC000069286914 369756355 /nfs/dbraw/zinc/75/63/55/369756355.db2.gz ROEOZYGKXYXQPX-OAHLLOKOSA-N 0 3 296.414 3.175 50 0 CGAAHN C[C@@H](Cn1cccn1)NCc1ccc2sccc2c1 ZINC000067723370 369725423 /nfs/dbraw/zinc/72/54/23/369725423.db2.gz CTJSHPURYULIAE-LBPRGKRZSA-N 0 3 271.389 3.276 50 0 CGAAHN Clc1ccccc1CN1CCC(Cn2cccn2)CC1 ZINC000075154704 369896935 /nfs/dbraw/zinc/89/69/35/369896935.db2.gz OZIYJCWICVTBAO-UHFFFAOYSA-N 0 3 289.810 3.449 50 0 CGAAHN c1ccc([C@@H](CN2CCCCC2)NCc2cccnc2)cc1 ZINC000075943901 369922602 /nfs/dbraw/zinc/92/26/02/369922602.db2.gz NGNLNCWMUSWJSD-LJQANCHMSA-N 0 3 295.430 3.398 50 0 CGAAHN O[C@H](C[C@H]1CCCN1Cc1ccncc1)c1ccccc1 ZINC000076108342 369930752 /nfs/dbraw/zinc/93/07/52/369930752.db2.gz SETVYWFEEWSKOM-QZTJIDSGSA-N 0 3 282.387 3.170 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@@H](C)Cc2cc(C)n[nH]2)o1 ZINC000090532260 370062428 /nfs/dbraw/zinc/06/24/28/370062428.db2.gz AEHDOJTUQAXDDM-CMPLNLGQSA-N 0 3 261.369 3.155 50 0 CGAAHN CCc1ccc([C@@H](C)N[C@@H](C)Cc2cc(C)[nH]n2)o1 ZINC000090532260 370062433 /nfs/dbraw/zinc/06/24/33/370062433.db2.gz AEHDOJTUQAXDDM-CMPLNLGQSA-N 0 3 261.369 3.155 50 0 CGAAHN COc1ccc(C[C@@H](C)N(C)Cc2ccncc2)cc1 ZINC000095401508 370182162 /nfs/dbraw/zinc/18/21/62/370182162.db2.gz JLXZYFRLLANXGH-CQSZACIVSA-N 0 3 270.376 3.153 50 0 CGAAHN Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)s1 ZINC000093741534 370155345 /nfs/dbraw/zinc/15/53/45/370155345.db2.gz ZQSVJAAQFDIMNZ-UHFFFAOYSA-N 0 3 292.448 3.033 50 0 CGAAHN COc1ccc([C@@H](C)CN(C)Cc2cccnc2)cc1 ZINC000097236893 370236530 /nfs/dbraw/zinc/23/65/30/370236530.db2.gz DYAZZZHATIACMU-AWEZNQCLSA-N 0 3 270.376 3.326 50 0 CGAAHN COC[C@@H]1CCCCN1Cc1ccc(OC(F)F)cc1 ZINC000097514276 370245161 /nfs/dbraw/zinc/24/51/61/370245161.db2.gz PXOGUCSQBTZAAW-ZDUSSCGKSA-N 0 3 285.334 3.289 50 0 CGAAHN OC[C@@H](Cc1c[nH]c2ccccc12)NCc1cccc(F)c1 ZINC000344316358 217146749 /nfs/dbraw/zinc/14/67/49/217146749.db2.gz JXIDLMMPBUWDHH-MRXNPFEDSA-N 0 3 298.361 3.000 50 0 CGAAHN CNCc1cc(-c2ccc(-c3cc[nH]n3)cc2)ccc1OC ZINC000067770414 541889412 /nfs/dbraw/zinc/88/94/12/541889412.db2.gz 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Cc1noc(C)c1CN1C[C@@H]2CCN(c3ccccc3)[C@@H]2C1 ZINC000685945169 544110802 /nfs/dbraw/zinc/11/08/02/544110802.db2.gz LMTGWBHEPMICMK-MAUKXSAKSA-N 0 3 297.402 3.002 50 0 CGAAHN CC(C)[C@H](O)[C@H](N[C@@H]1COC2(CCC2)C1)c1ccccc1 ZINC000658288533 419736144 /nfs/dbraw/zinc/73/61/44/419736144.db2.gz VLYYESWPIWCQRQ-BBWFWOEESA-N 0 3 289.419 3.046 50 0 CGAAHN c1csc([C@H]2NCCc3c4ccccc4[nH]c32)c1 ZINC000019688736 260114445 /nfs/dbraw/zinc/11/44/45/260114445.db2.gz ORBSTHZLNWEZID-OAHLLOKOSA-N 0 3 254.358 3.465 50 0 CGAAHN Cc1cc(=O)c2ccccc2n1CC[C@@H]1CCCCN1C ZINC000095385955 280303588 /nfs/dbraw/zinc/30/35/88/280303588.db2.gz LXCSMROIUSHJQK-HNNXBMFYSA-N 0 3 284.403 3.184 50 0 CGAAHN Cc1cccc2c1OCC[C@@H]2N[C@@H](C)[C@@]1(C)CCCO1 ZINC000252493625 281285075 /nfs/dbraw/zinc/28/50/75/281285075.db2.gz NEURMEGUEHENPW-JLJPHGGASA-N 0 3 275.392 3.366 50 0 CGAAHN COc1ccc(C)cc1[C@H](C)NCC[S@](=O)C(C)(C)C ZINC000096477843 329526763 /nfs/dbraw/zinc/52/67/63/329526763.db2.gz ZWIFFOHVYUTKKT-RNODOKPDSA-N 0 3 297.464 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CCCCCCOc1ccc(CN(C)C[C@H](C)O)cc1 ZINC000170595401 346194168 /nfs/dbraw/zinc/19/41/68/346194168.db2.gz SJGWTLZIWUDPRC-HNNXBMFYSA-N 0 3 279.424 3.458 50 0 CGAAHN CN(CCO[C@H]1CCCCO1)Cc1cccc2cc[nH]c21 ZINC000225533006 346304850 /nfs/dbraw/zinc/30/48/50/346304850.db2.gz MTSXNXYLUZTZPS-INIZCTEOSA-N 0 3 288.391 3.143 50 0 CGAAHN C[C@@H]1CN(Cc2cc3ccccc3n2C)CC[C@@]1(O)C1CC1 ZINC000091616256 180207962 /nfs/dbraw/zinc/20/79/62/180207962.db2.gz NHENHYRAAJYNIL-KUHUBIRLSA-N 0 3 298.430 3.161 50 0 CGAAHN c1cncc(-c2noc(CN3CCC[C@@H]4CCCC[C@H]43)n2)c1 ZINC000106547612 186126640 /nfs/dbraw/zinc/12/66/40/186126640.db2.gz KUIZPLFGTOOLPY-DZGCQCFKSA-N 0 3 298.390 3.286 50 0 CGAAHN Ic1ccccc1[C@@H]1CCCCN1 ZINC000003734450 283041341 /nfs/dbraw/zinc/04/13/41/283041341.db2.gz SIKBDSQZWPSXMA-NSHDSACASA-N 0 3 287.144 3.106 50 0 CGAAHN NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000002563892 283530266 /nfs/dbraw/zinc/53/02/66/283530266.db2.gz CNEYBCFNATWSJU-UHFFFAOYSA-N 0 3 258.268 3.288 50 0 CGAAHN 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Cc1cc(C)n(C[C@@H]2CCCN2[C@H](C)c2cccnc2)n1 ZINC000106843694 345933292 /nfs/dbraw/zinc/93/32/92/345933292.db2.gz YGPOTJIDBWROFQ-WBVHZDCISA-N 0 3 284.407 3.121 50 0 CGAAHN CCSC[C@@H](C)NCc1nc2cc(C)c(C)cc2[nH]1 ZINC000584888155 346721477 /nfs/dbraw/zinc/72/14/77/346721477.db2.gz ANZKNZXSCNUODP-GFCCVEGCSA-N 0 3 277.437 3.411 50 0 CGAAHN Fc1cc(F)cc(C2(N[C@@H]3CCSC3)CC2)c1 ZINC000584892183 346722015 /nfs/dbraw/zinc/72/20/15/346722015.db2.gz KZPGYOZQFUCNFT-GFCCVEGCSA-N 0 3 255.333 3.049 50 0 CGAAHN Cc1cc(CN[C@H](C)c2cc[nH]c(=O)c2)ccc1F ZINC000339458884 215187098 /nfs/dbraw/zinc/18/70/98/215187098.db2.gz CJLZVAYHRGFAQY-LLVKDONJSA-N 0 3 260.312 3.086 50 0 CGAAHN Cc1nc(CN2CCCC[C@@H]2CCc2ccccc2)n[nH]1 ZINC000428303292 236390822 /nfs/dbraw/zinc/39/08/22/236390822.db2.gz SDLMXLOVPDMYGP-MRXNPFEDSA-N 0 3 284.407 3.100 50 0 CGAAHN C[C@@H](c1nc(-c2ccsn2)no1)N1[C@H](C)CC[C@@H]1C ZINC000297159711 200101574 /nfs/dbraw/zinc/10/15/74/200101574.db2.gz CUVLBEHHUBOABO-AEJSXWLSSA-N 0 3 278.381 3.127 50 0 CGAAHN CC[C@H](NCC1(OC)CCOCC1)c1ccccc1F ZINC000180979891 189285572 /nfs/dbraw/zinc/28/55/72/189285572.db2.gz NFYHNHRRTOZLOT-HNNXBMFYSA-N 0 3 281.371 3.062 50 0 CGAAHN COc1ccc(CN2C[C@H](C)C[C@H](C)C2)c(OC)c1 ZINC000000220557 368319214 /nfs/dbraw/zinc/31/92/14/368319214.db2.gz SJINWKBTSYPSBC-BETUJISGSA-N 0 3 263.381 3.182 50 0 CGAAHN Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C ZINC000000191586 368313107 /nfs/dbraw/zinc/31/31/07/368313107.db2.gz YMAARERCUMHOKE-UHFFFAOYSA-N 0 3 275.421 3.368 50 0 CGAAHN CCC(=O)c1ccc(OCCN2CCCCC2)cc1 ZINC000000372108 368352134 /nfs/dbraw/zinc/35/21/34/368352134.db2.gz PYULMQUYQWMIIR-UHFFFAOYSA-N 0 3 261.365 3.144 50 0 CGAAHN CCN1CCC[C@H]1CNc1[nH]c(=S)nc2ccccc21 ZINC000000424999 368362525 /nfs/dbraw/zinc/36/25/25/368362525.db2.gz ISDPFHRQASNMSW-NSHDSACASA-N 0 3 288.420 3.189 50 0 CGAAHN CN(C)CCOC(=O)C(C)(c1ccccc1)c1ccccc1 ZINC000001596087 368422052 /nfs/dbraw/zinc/42/20/52/368422052.db2.gz PFXOQDVIRVFOSP-UHFFFAOYSA-N 0 3 297.398 3.097 50 0 CGAAHN CCOC(=O)C[C@@H](N)c1ccc(OCc2ccccc2)cc1 ZINC000002582521 368467456 /nfs/dbraw/zinc/46/74/56/368467456.db2.gz CNUONIQYWHGUDA-QGZVFWFLSA-N 0 3 299.370 3.219 50 0 CGAAHN C[C@H](NCCOCCOc1ccccc1)c1ccccc1 ZINC000002822660 368479594 /nfs/dbraw/zinc/47/95/94/368479594.db2.gz YKYJALSJLXEINP-INIZCTEOSA-N 0 3 285.387 3.433 50 0 CGAAHN CCc1ccc(OCCOCCN2CCCCC2)cc1 ZINC000002896649 368485622 /nfs/dbraw/zinc/48/56/22/368485622.db2.gz ZFHKSYNERSJXFY-UHFFFAOYSA-N 0 3 277.408 3.130 50 0 CGAAHN COc1cccc(CCNCc2cn(C(C)C)nc2C)c1 ZINC000012398295 368611499 /nfs/dbraw/zinc/61/14/99/368611499.db2.gz NGLGRJFFNQIYPS-UHFFFAOYSA-N 0 3 287.407 3.113 50 0 CGAAHN CN(C)[C@H](CNc1nc2ccccc2o1)Cc1ccccc1 ZINC000024985891 368839321 /nfs/dbraw/zinc/83/93/21/368839321.db2.gz WEOMNYBSEZILGT-HNNXBMFYSA-N 0 3 295.386 3.413 50 0 CGAAHN CCC(=O)Nc1ccc([C@H](C)NCc2ccncc2)cc1 ZINC000030640820 368905197 /nfs/dbraw/zinc/90/51/97/368905197.db2.gz BFPJPGACVHUYCW-ZDUSSCGKSA-N 0 3 283.375 3.281 50 0 CGAAHN CN1CCC[C@@H](CSc2cccc(Cl)n2)C1 ZINC000034523260 368975157 /nfs/dbraw/zinc/97/51/57/368975157.db2.gz FURBUUJUFWMMOW-SNVBAGLBSA-N 0 3 256.802 3.169 50 0 CGAAHN CCN(CC)[C@@H](CNCc1ccc(C)o1)c1ccco1 ZINC000032547724 368935883 /nfs/dbraw/zinc/93/58/83/368935883.db2.gz OHCHPUDYFQQEBL-HNNXBMFYSA-N 0 3 276.380 3.354 50 0 CGAAHN O=C(C[C@@H]1C=CCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000032911483 368952820 /nfs/dbraw/zinc/95/28/20/368952820.db2.gz LMRFKEOEDQVXBQ-SJLPKXTDSA-N 0 3 298.430 3.124 50 0 CGAAHN Clc1cc(-c2ccccc2)ccc1OC1CNC1 ZINC000042769608 369231132 /nfs/dbraw/zinc/23/11/32/369231132.db2.gz PBODHWQJNNLNJM-UHFFFAOYSA-N 0 3 259.736 3.358 50 0 CGAAHN COc1ccc([C@@H](C)NC[C@H]2CCC=CO2)c(OC)c1 ZINC000050268037 369432945 /nfs/dbraw/zinc/43/29/45/369432945.db2.gz YLSUYFXPYHEORI-TZMCWYRMSA-N 0 3 277.364 3.047 50 0 CGAAHN CC(C)NC(=O)CCN(C)Cc1csc2ccccc12 ZINC000051853520 369456574 /nfs/dbraw/zinc/45/65/74/369456574.db2.gz VXENSDIJMJYTJL-UHFFFAOYSA-N 0 3 290.432 3.248 50 0 CGAAHN CC(C)Oc1ccccc1CNCCOc1ccccn1 ZINC000057353369 369536740 /nfs/dbraw/zinc/53/67/40/369536740.db2.gz VHZMULYATRJODD-UHFFFAOYSA-N 0 3 286.375 3.037 50 0 CGAAHN CCN(CC[C@H](C)SC)Cc1c(C)nn(CC)c1C ZINC000055343383 369514299 /nfs/dbraw/zinc/51/42/99/369514299.db2.gz OPORUTUCSREIDB-LBPRGKRZSA-N 0 3 283.485 3.483 50 0 CGAAHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)Nc1ccc(F)cc1 ZINC000056503214 369525485 /nfs/dbraw/zinc/52/54/85/369525485.db2.gz WVXBPBROOHOSGF-QWHCGFSZSA-N 0 3 293.386 3.068 50 0 CGAAHN O=C(c1ccccc1Cl)N1CCC[C@@H]1CN1CCCC1 ZINC000058328805 369563538 /nfs/dbraw/zinc/56/35/38/369563538.db2.gz IBDVHBQDRHLBBU-CYBMUJFWSA-N 0 3 292.810 3.040 50 0 CGAAHN CC(C)N1CC[C@H](NC(=O)Nc2cccc3ccccc32)C1 ZINC000058378667 369566175 /nfs/dbraw/zinc/56/61/75/369566175.db2.gz QOLXAVMFJOVKFL-HNNXBMFYSA-N 0 3 297.402 3.444 50 0 CGAAHN CNC(=O)C(C)(C)N(C)Cc1ccccc1-c1ccccc1 ZINC000065451827 369677679 /nfs/dbraw/zinc/67/76/79/369677679.db2.gz YCXSKOANVQKUCX-UHFFFAOYSA-N 0 3 296.414 3.310 50 0 CGAAHN CC[C@H](NC1CSCCSC1)c1cc(C)ccn1 ZINC000067675313 369724406 /nfs/dbraw/zinc/72/44/06/369724406.db2.gz IRUSSRIFNNVDCJ-ZDUSSCGKSA-N 0 3 282.478 3.279 50 0 CGAAHN C[C@@H]1CCCCN1CCN(C)C(=O)/C=C/c1ccccc1 ZINC000067690753 369726069 /nfs/dbraw/zinc/72/60/69/369726069.db2.gz DUDKSCHZYSBUMW-LPQFERQCSA-N 0 3 286.419 3.033 50 0 CGAAHN CCSC[C@H](C)NCc1nc2cc(Cl)ccc2[nH]1 ZINC000067742523 369727283 /nfs/dbraw/zinc/72/72/83/369727283.db2.gz COPVYBARKKXJID-VIFPVBQESA-N 0 3 283.828 3.448 50 0 CGAAHN CCSC[C@H](C)NCc1nc2ccc(Cl)cc2[nH]1 ZINC000067742523 369727285 /nfs/dbraw/zinc/72/72/85/369727285.db2.gz COPVYBARKKXJID-VIFPVBQESA-N 0 3 283.828 3.448 50 0 CGAAHN O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1 ZINC000069918181 369774674 /nfs/dbraw/zinc/77/46/74/369774674.db2.gz MIBODEGESIWBHX-MRXNPFEDSA-N 0 3 283.375 3.180 50 0 CGAAHN C[C@H](NCc1cc(-c2ccccc2)no1)[C@H](C)n1cccn1 ZINC000069973902 369776140 /nfs/dbraw/zinc/77/61/40/369776140.db2.gz SMEWFOFGTYAMFM-KBPBESRZSA-N 0 3 296.374 3.277 50 0 CGAAHN COc1cccc(F)c1[C@H](C)NCCCc1c[nH]nc1C ZINC000095420034 370186313 /nfs/dbraw/zinc/18/63/13/370186313.db2.gz GGQFCHVENVOWAH-LBPRGKRZSA-N 0 3 291.370 3.149 50 0 CGAAHN C[S@@](=O)c1ccc(CNC2(c3ccccc3)CC2)cc1 ZINC000095409640 370183682 /nfs/dbraw/zinc/18/36/82/370183682.db2.gz XLSHDABJEKNGQL-FQEVSTJZSA-N 0 3 285.412 3.203 50 0 CGAAHN CC1(C)C[C@H](NCc2cnc(Cl)s2)C(C)(C)O1 ZINC000132590452 371186093 /nfs/dbraw/zinc/18/60/93/371186093.db2.gz HATXEEVXGMZLIO-VIFPVBQESA-N 0 3 274.817 3.232 50 0 CGAAHN CC(C)C[C@@H]1CCCN1C(=O)C[C@@H](N)c1ccccc1 ZINC000170050469 372634257 /nfs/dbraw/zinc/63/42/57/372634257.db2.gz YINYIAXBMIXKKX-JKSUJKDBSA-N 0 3 274.408 3.114 50 0 CGAAHN CC(C)[C@H](NC[C@@H](C)O)c1ccc(Cl)cc1F ZINC000170073194 372634844 /nfs/dbraw/zinc/63/48/44/372634844.db2.gz GJKJGKPHHRXXPV-RNCFNFMXSA-N 0 3 259.752 3.147 50 0 CGAAHN C[C@@H](CC1CCOCC1)NCc1ccn(C2CCCC2)n1 ZINC000090547166 541962247 /nfs/dbraw/zinc/96/22/47/541962247.db2.gz NTYFFQQUCPRKBR-AWEZNQCLSA-N 0 3 291.439 3.293 50 0 CGAAHN C[C@@H](CN1CCC(CC(N)=O)CC1)c1cccc(Cl)c1 ZINC000189687330 375435129 /nfs/dbraw/zinc/43/51/29/375435129.db2.gz WDOCBVFVTAGFLX-LBPRGKRZSA-N 0 3 294.826 3.031 50 0 CGAAHN OC[C@@H]1CCN(Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000336721823 375921174 /nfs/dbraw/zinc/92/11/74/375921174.db2.gz UYPBTUFAKGSPAX-GOSISDBHSA-N 0 3 297.398 3.080 50 0 CGAAHN CC1(C)C[C@H](CN(Cc2ccccn2)C2CC2)CCO1 ZINC000216241155 376160349 /nfs/dbraw/zinc/16/03/49/376160349.db2.gz FAGHJQPDSNDAEX-CQSZACIVSA-N 0 3 274.408 3.251 50 0 CGAAHN CCc1nn(C)cc1CN1CCC[C@H]1c1ccc(O)cc1 ZINC000225548163 376316967 /nfs/dbraw/zinc/31/69/67/376316967.db2.gz DMGAGTBEDWGFHP-KRWDZBQOSA-N 0 3 285.391 3.025 50 0 CGAAHN COc1ncccc1N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000230280576 376500781 /nfs/dbraw/zinc/50/07/81/376500781.db2.gz QOQVHAKZOIODLQ-GOEBONIOSA-N 0 3 297.402 3.338 50 0 CGAAHN CC(C)(C)n1cc(CNC2CCCCCCC2)nn1 ZINC000232528090 376582511 /nfs/dbraw/zinc/58/25/11/376582511.db2.gz VOYLUOGXELEJPO-UHFFFAOYSA-N 0 3 264.417 3.236 50 0 CGAAHN Cc1cccc([C@@H]2CCCN2CCOCC(C)C)n1 ZINC000252479247 377625171 /nfs/dbraw/zinc/62/51/71/377625171.db2.gz BBWYPZVZPYGHNG-INIZCTEOSA-N 0 3 262.397 3.200 50 0 CGAAHN NCc1cccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1 ZINC000252508763 377635933 /nfs/dbraw/zinc/63/59/33/377635933.db2.gz XSYNXQWNXNTIIL-QGZVFWFLSA-N 0 3 298.361 3.092 50 0 CGAAHN C[C@@H](NC(=O)C12CCCN1CCC2)c1cccc(Cl)c1 ZINC000278486832 194006900 /nfs/dbraw/zinc/00/69/00/194006900.db2.gz ANTBKNRRYSGWJL-GFCCVEGCSA-N 0 3 292.810 3.146 50 0 CGAAHN Clc1cccc(C2(N[C@@H]3CCSC3)CC2)c1 ZINC000390772749 379906899 /nfs/dbraw/zinc/90/68/99/379906899.db2.gz XKUSVHHGPXAUPG-GFCCVEGCSA-N 0 3 253.798 3.424 50 0 CGAAHN CCNCc1cc(-c2ccc(F)cc2Br)n[nH]1 ZINC000233519502 542307874 /nfs/dbraw/zinc/30/78/74/542307874.db2.gz FFKZLMSKFUICLC-UHFFFAOYSA-N 0 3 298.159 3.088 50 0 CGAAHN CO[C@H](CNCc1c[nH]nc1C(C)(C)C)c1ccccc1 ZINC000071821859 392191979 /nfs/dbraw/zinc/19/19/79/392191979.db2.gz BKTPLDZMMNGPBU-OAHLLOKOSA-N 0 3 287.407 3.185 50 0 CGAAHN O[C@@H]1CN(Cc2ccccc2)CC[C@@H]1c1ccccc1 ZINC000197143837 392976441 /nfs/dbraw/zinc/97/64/41/392976441.db2.gz RRVCCPCWJKCTCG-QZTJIDSGSA-N 0 3 267.372 3.037 50 0 CGAAHN Cc1nccn1CC1CCN(C[C@H](C)C(F)(F)F)CC1 ZINC000215429179 392987298 /nfs/dbraw/zinc/98/72/98/392987298.db2.gz IGNNBHMICWCGEL-NSHDSACASA-N 0 3 289.345 3.102 50 0 CGAAHN CCC[C@]1(CO)CCN(CCOc2ccc(Cl)cc2)C1 ZINC000585083915 542768673 /nfs/dbraw/zinc/76/86/73/542768673.db2.gz BYCJVCDPIKNPRJ-INIZCTEOSA-N 0 3 297.826 3.203 50 0 CGAAHN Cc1ccccc1Cn1ncnc1[C@@H]1CCCN(C(C)C)C1 ZINC000670461588 543156899 /nfs/dbraw/zinc/15/68/99/543156899.db2.gz ULDYBBHIOHYUNM-QGZVFWFLSA-N 0 3 298.434 3.223 50 0 CGAAHN CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C/C=C\c1ccccc1 ZINC000101433339 397644895 /nfs/dbraw/zinc/64/48/95/397644895.db2.gz WUXAOXWZYNPWBE-GHYUKZRQSA-N 0 3 298.430 3.175 50 0 CGAAHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000198664261 397664473 /nfs/dbraw/zinc/66/44/73/397664473.db2.gz QTBZFDUFDZXXRW-AWEZNQCLSA-N 0 3 284.403 3.357 50 0 CGAAHN CCCNCc1cc(Br)ccc1OCC ZINC000004867690 170033283 /nfs/dbraw/zinc/03/32/83/170033283.db2.gz NWYSHQNBYMZOQQ-UHFFFAOYSA-N 0 3 272.186 3.347 50 0 CGAAHN c1ccc(C(c2n[nH]c3c2CNCC3)c2ccccc2)cc1 ZINC000004945688 170044126 /nfs/dbraw/zinc/04/41/26/170044126.db2.gz BWEUTDCTFFGGTR-UHFFFAOYSA-N 0 3 289.382 3.236 50 0 CGAAHN c1ccc(C(c2[nH]nc3c2CNCC3)c2ccccc2)cc1 ZINC000004945688 170044127 /nfs/dbraw/zinc/04/41/27/170044127.db2.gz BWEUTDCTFFGGTR-UHFFFAOYSA-N 0 3 289.382 3.236 50 0 CGAAHN CCOc1ccc2ccccc2c1CNC(C)(C)CO ZINC000006662580 170223505 /nfs/dbraw/zinc/22/35/05/170223505.db2.gz SBGQPDDSUWFKKO-UHFFFAOYSA-N 0 3 273.376 3.099 50 0 CGAAHN Fc1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 ZINC000006730556 170235048 /nfs/dbraw/zinc/23/50/48/170235048.db2.gz JXYZWTJKUBFSIT-CQSZACIVSA-N 0 3 275.323 3.354 50 0 CGAAHN C[C@@H](NCc1ccc2c(c1)OCCO2)c1ccccc1 ZINC000006742747 170238211 /nfs/dbraw/zinc/23/82/11/170238211.db2.gz VNKQZICVIXMGNS-CYBMUJFWSA-N 0 3 269.344 3.309 50 0 CGAAHN COCCNCc1cccc(OCc2ccc(C)cc2)c1 ZINC000006747333 170239677 /nfs/dbraw/zinc/23/96/77/170239677.db2.gz GIHRLGKERILGHW-UHFFFAOYSA-N 0 3 285.387 3.310 50 0 CGAAHN Cc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000020543721 171242835 /nfs/dbraw/zinc/24/28/35/171242835.db2.gz WQMYDINQTJMXHT-UHFFFAOYSA-N 0 3 287.407 3.087 50 0 CGAAHN COc1cccc(C[C@@H]2CN(C3CCCCC3)CCO2)c1 ZINC000020774124 171272172 /nfs/dbraw/zinc/27/21/72/171272172.db2.gz HLSIBMGKWZNRAA-GOSISDBHSA-N 0 3 289.419 3.271 50 0 CGAAHN c1ccc(CC[C@H]2CN(C3CCSCC3)CCO2)cc1 ZINC000020919286 171280000 /nfs/dbraw/zinc/28/00/00/171280000.db2.gz NJNGOOZMKJJSAC-KRWDZBQOSA-N 0 3 291.460 3.216 50 0 CGAAHN CN1CCN(CC(c2ccccc2)c2ccccc2)CC1 ZINC000022455473 171388429 /nfs/dbraw/zinc/38/84/29/171388429.db2.gz SVLDAGDSXNFTJE-UHFFFAOYSA-N 0 3 280.415 3.066 50 0 CGAAHN CCOCCN[C@H](C)c1ccc(Br)cc1 ZINC000035151218 172014626 /nfs/dbraw/zinc/01/46/26/172014626.db2.gz UJFXSUZYBBBRDS-SNVBAGLBSA-N 0 3 272.186 3.136 50 0 CGAAHN c1ccc([C@@H](NC[C@@H]2CCCCO2)c2ccncc2)cc1 ZINC000035174613 172027964 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CCCn1nccc1-c1ccc(CN2CCCCC2)cn1 ZINC000426518893 372161286 /nfs/dbraw/zinc/16/12/86/372161286.db2.gz BQGYABMIFXECBC-UHFFFAOYSA-N 0 3 284.407 3.341 50 0 CGAAHN COc1ccc([C@H](C)N[C@@H]2C=C[C@H](CO)C2)c2ccccc12 ZINC000170074674 372634360 /nfs/dbraw/zinc/63/43/60/372634360.db2.gz IJQUOXCPMARBHK-SOUVJXGZSA-N 0 3 297.398 3.436 50 0 CGAAHN CC[C@@H](NCC1(C)OCCCO1)c1ccc(F)cc1 ZINC000170612253 372642960 /nfs/dbraw/zinc/64/29/60/372642960.db2.gz ZOLBTQGNAPSXBI-CQSZACIVSA-N 0 3 267.344 3.020 50 0 CGAAHN CN(Cc1ccc(F)c(C(F)(F)F)c1)CC(C)(C)CO ZINC000449422369 373694595 /nfs/dbraw/zinc/69/45/95/373694595.db2.gz MRAATOBWCWODFI-UHFFFAOYSA-N 0 3 293.304 3.295 50 0 CGAAHN CCn1c(C)nnc1CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000191887662 375673106 /nfs/dbraw/zinc/67/31/06/375673106.db2.gz VGXFFTOLRVAGJN-DLBZAZTESA-N 0 3 298.434 3.107 50 0 CGAAHN Cc1noc(C)c1CN1CCCN(c2ccccc2)CC1 ZINC000194081851 375958327 /nfs/dbraw/zinc/95/83/27/375958327.db2.gz IRENMMIJAAYITB-UHFFFAOYSA-N 0 3 285.391 3.004 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@@H](NCc2ccncc2)C1 ZINC000229315906 376462242 /nfs/dbraw/zinc/46/22/42/376462242.db2.gz CYMFWTIYFNNGRB-MAUKXSAKSA-N 0 3 281.403 3.007 50 0 CGAAHN CC[C@H](c1ccc(F)cc1)N1CCC[C@@H](n2cncn2)C1 ZINC000229733639 376470686 /nfs/dbraw/zinc/47/06/86/376470686.db2.gz OSBJGWCSQFXKRI-HZPDHXFCSA-N 0 3 288.370 3.205 50 0 CGAAHN Cc1c2ccccc2[nH]c1CN(C)CCC(C)(C)O ZINC000244748742 376796947 /nfs/dbraw/zinc/79/69/47/376796947.db2.gz ONIXGLDMVFVIKD-UHFFFAOYSA-N 0 3 260.381 3.069 50 0 CGAAHN Cc1cccc(OCCCN(C)C[C@@H](O)c2ccccc2)c1 ZINC000244678960 376793941 /nfs/dbraw/zinc/79/39/41/376793941.db2.gz INDBDEJCWFMFMY-LJQANCHMSA-N 0 3 299.414 3.429 50 0 CGAAHN O=C1Nc2ccccc2CC[C@@H]1N1CCCCCCC1 ZINC000252496975 377632912 /nfs/dbraw/zinc/63/29/12/377632912.db2.gz PWUYHPPKVWCEAM-INIZCTEOSA-N 0 3 272.392 3.206 50 0 CGAAHN COCC[C@@H](N[C@@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000253416095 377691603 /nfs/dbraw/zinc/69/16/03/377691603.db2.gz YJDRNERRBSNJDE-XHDPSFHLSA-N 0 3 293.798 3.492 50 0 CGAAHN Cc1c[nH]c(CN(CCC(C)C)C2CC2)c(C)c1=O ZINC000253537012 377697699 /nfs/dbraw/zinc/69/76/99/377697699.db2.gz SZMAXNASUBYALC-UHFFFAOYSA-N 0 3 262.397 3.415 50 0 CGAAHN C[C@H](O)[C@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000254514570 377709716 /nfs/dbraw/zinc/70/97/16/377709716.db2.gz QEWJAAFRQLWWKR-WAXTVWTQSA-N 0 3 263.356 3.074 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@H]1CCCN(Cc2ccncc2)C1 ZINC000575545809 377917539 /nfs/dbraw/zinc/91/75/39/377917539.db2.gz JWWZCAGGGZRISK-KRWDZBQOSA-N 0 3 296.418 3.301 50 0 CGAAHN C[C@H]1c2ccsc2CCN1C[C@@H](O)c1ccccc1 ZINC000016421023 391933922 /nfs/dbraw/zinc/93/39/22/391933922.db2.gz DNQWBESNVTWRNM-SWLSCSKDSA-N 0 3 273.401 3.401 50 0 CGAAHN C(=C\c1ccccc1)\CNCc1ccc(-n2cccn2)nc1 ZINC000096297191 392246473 /nfs/dbraw/zinc/24/64/73/392246473.db2.gz RQVZDBSOCGRLHL-YWEYNIOJSA-N 0 3 290.370 3.070 50 0 CGAAHN CN(C)Cc1cccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000096421678 392252322 /nfs/dbraw/zinc/25/23/22/392252322.db2.gz RISXDOIQQIWKJQ-MSOLQXFVSA-N 0 3 294.398 3.034 50 0 CGAAHN Cc1cccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)c1 ZINC000096477879 392256549 /nfs/dbraw/zinc/25/65/49/392256549.db2.gz CRQAECPUTKXQGT-ACJLOTCBSA-N 0 3 267.438 3.193 50 0 CGAAHN c1coc([C@@H]2CCCN2CCn2cnc3ccccc32)c1 ZINC000243892424 131083245 /nfs/dbraw/zinc/08/32/45/131083245.db2.gz AICNEMHYKRWDHF-INIZCTEOSA-N 0 3 281.359 3.466 50 0 CGAAHN C[C@@H](N)C(=O)N1CCCCC[C@@H]1c1ccc(Cl)cc1 ZINC000237445625 393035799 /nfs/dbraw/zinc/03/57/99/393035799.db2.gz PPAXEHUQKMYAGL-BXUZGUMPSA-N 0 3 280.799 3.131 50 0 CGAAHN O[C@@H]1CCCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1 ZINC000670448675 543155767 /nfs/dbraw/zinc/15/57/67/543155767.db2.gz ZVHXEJMWROWQBE-LLVKDONJSA-N 0 3 291.288 3.191 50 0 CGAAHN CC(=O)Nc1ccc(CNCc2ccc(F)c(C)c2)cc1 ZINC000032860477 397606052 /nfs/dbraw/zinc/60/60/52/397606052.db2.gz KVKUMOFEBFPWAY-UHFFFAOYSA-N 0 3 286.350 3.382 50 0 CGAAHN Clc1ccc(CNC[C@H]2CCCO2)c(Cl)c1 ZINC000004656783 169994385 /nfs/dbraw/zinc/99/43/85/169994385.db2.gz QDDSJTYRNMUQMU-LLVKDONJSA-N 0 3 260.164 3.262 50 0 CGAAHN COCCNCc1cccc(OCc2ccccc2)c1 ZINC000004700187 170001337 /nfs/dbraw/zinc/00/13/37/170001337.db2.gz TZYAHYLMICEHNV-UHFFFAOYSA-N 0 3 271.360 3.002 50 0 CGAAHN CN(CCOC(=O)c1cccc(F)c1)Cc1ccccc1 ZINC000004802295 170019326 /nfs/dbraw/zinc/01/93/26/170019326.db2.gz QWMRFVULBFZZQK-UHFFFAOYSA-N 0 3 287.334 3.115 50 0 CGAAHN C[C@H](O)CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942880 170043231 /nfs/dbraw/zinc/04/32/31/170043231.db2.gz YYNQZAXMBRDIRJ-JTQLQIEISA-N 0 3 265.740 3.070 50 0 CGAAHN C[C@@H](O)CNCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942881 170043274 /nfs/dbraw/zinc/04/32/74/170043274.db2.gz YYNQZAXMBRDIRJ-SNVBAGLBSA-N 0 3 265.740 3.070 50 0 CGAAHN OC1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000004977763 170048120 /nfs/dbraw/zinc/04/81/20/170048120.db2.gz KFAXTFDCCLNUNM-UHFFFAOYSA-N 0 3 283.371 3.436 50 0 CGAAHN COc1ccc2nc(NCc3ccccc3)[nH]c2c1 ZINC000005908946 170153558 /nfs/dbraw/zinc/15/35/58/170153558.db2.gz FCZYEMULQHPPMD-UHFFFAOYSA-N 0 3 253.305 3.184 50 0 CGAAHN Cc1cccc(NC(=O)NC[C@@H](c2ccccc2)N(C)C)c1 ZINC000008752984 170354421 /nfs/dbraw/zinc/35/44/21/170354421.db2.gz IAFPFTDOCKXRGK-KRWDZBQOSA-N 0 3 297.402 3.419 50 0 CGAAHN Cc1ccc(SCCCCN2CCN(C)CC2)cc1 ZINC000020653499 171269614 /nfs/dbraw/zinc/26/96/14/171269614.db2.gz WUZHHRYVGDZNPZ-UHFFFAOYSA-N 0 3 278.465 3.115 50 0 CGAAHN O=C(Nc1ccccc1F)Nc1cccc2c1CCNC2 ZINC000037372850 173162824 /nfs/dbraw/zinc/16/28/24/173162824.db2.gz NRZGMRPPEOGMEC-UHFFFAOYSA-N 0 3 285.322 3.115 50 0 CGAAHN Clc1cccc(CNCCCn2ccnc2)c1Cl ZINC000039170047 174164920 /nfs/dbraw/zinc/16/49/20/174164920.db2.gz OQWRETIMQOUOTC-UHFFFAOYSA-N 0 3 284.190 3.370 50 0 CGAAHN Cc1nccn1-c1ccc(CNCc2cccc(F)c2)cn1 ZINC000048782293 416459555 /nfs/dbraw/zinc/45/95/55/416459555.db2.gz FLYQNUKKYIHNDU-UHFFFAOYSA-N 0 3 296.349 3.005 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+]C[C@@H](Nc2ccccc2)C(C)C)n1 ZINC000118449157 416498655 /nfs/dbraw/zinc/49/86/55/416498655.db2.gz GKUJUJRGHBKVQJ-MRXNPFEDSA-N 0 3 299.418 3.322 50 0 CGAAHN O[C@@H]1CCC[C@@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657373801 419263575 /nfs/dbraw/zinc/26/35/75/419263575.db2.gz CERDTKQDCQFLGQ-TZMCWYRMSA-N 0 3 293.382 3.008 50 0 CGAAHN CO[C@H](CN[C@@H](C)c1cccc(O)c1)C1CCCC1 ZINC000658315984 419756962 /nfs/dbraw/zinc/75/69/62/419756962.db2.gz ONGPJCZSGROHHD-BLLLJJGKSA-N 0 3 263.381 3.248 50 0 CGAAHN CC(C)(C)c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000005049855 275537156 /nfs/dbraw/zinc/53/71/56/275537156.db2.gz ZTNWSXRYBYWHTL-HNNXBMFYSA-N 0 3 291.435 3.210 50 0 CGAAHN CNCc1cc(C(F)(F)F)ccc1C(F)(F)F ZINC000067801440 277286672 /nfs/dbraw/zinc/28/66/72/277286672.db2.gz IYCAWEUONQFGKB-UHFFFAOYSA-N 0 3 257.177 3.444 50 0 CGAAHN CC(C)(C)OC(=O)N1CCC[C@H](N)c2ccccc21 ZINC000004240560 278393944 /nfs/dbraw/zinc/39/39/44/278393944.db2.gz ZSFIRJQRHJSLSZ-LBPRGKRZSA-N 0 3 262.353 3.222 50 0 CGAAHN CCCN1C[C@H]2CC[C@@H]1CN(Cc1cc(F)cc(F)c1)C2 ZINC000095358739 327202494 /nfs/dbraw/zinc/20/24/94/327202494.db2.gz AUGSWYSLFMRLAW-SUMWQHHRSA-N 0 3 294.389 3.271 50 0 CGAAHN Cc1ncsc1CN[C@@H](C)/C=C\c1ccccn1 ZINC000888098184 619260122 /nfs/dbraw/zinc/26/01/22/619260122.db2.gz CLZYTUVDQNIGJG-ZADCQDASSA-N 0 3 259.378 3.038 50 0 CGAAHN C[C@H](C[C@@H](C)SC1CCCC1)NCc1cc[nH]n1 ZINC000888098673 619260495 /nfs/dbraw/zinc/26/04/95/619260495.db2.gz NSECJHFPKLXPHF-VXGBXAGGSA-N 0 3 267.442 3.342 50 0 CGAAHN c1ccc(N2CC[C@@H](N3CCOc4ccccc4C3)C2)cc1 ZINC000952979974 636776819 /nfs/dbraw/zinc/77/68/19/636776819.db2.gz GSDUEXFNYXBLNQ-GOSISDBHSA-N 0 3 294.398 3.160 50 0 CGAAHN C[C@]1(c2ccccc2)C[C@H](O)C[C@@H](c2ccccc2)N1 ZINC000015769546 640986710 /nfs/dbraw/zinc/98/67/10/640986710.db2.gz UIYVXTMJZHAIIU-FGTMMUONSA-N 0 3 267.372 3.387 50 0 CGAAHN CCC[C@@H]1C=CCN1Cc1cnn(-c2ccccc2OC)c1 ZINC000822804590 800463259 /nfs/dbraw/zinc/46/32/59/800463259.db2.gz GKBBLLCMQCIDGO-MRXNPFEDSA-N 0 3 297.402 3.421 50 0 CGAAHN CCn1cc(CN[C@H]2c3cccc(F)c3CC[C@H]2C)cn1 ZINC000096456825 230377533 /nfs/dbraw/zinc/37/75/33/230377533.db2.gz RGQDIIRDWZXINF-SJKOYZFVSA-N 0 3 287.382 3.455 50 0 CGAAHN CCOc1cccc(CN(C)CCc2ccccn2)c1 ZINC000095939225 185035145 /nfs/dbraw/zinc/03/51/45/185035145.db2.gz BOHCFXBWWDEHOI-UHFFFAOYSA-N 0 3 270.376 3.155 50 0 CGAAHN CSC[C@](C)(O)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000095968289 185046822 /nfs/dbraw/zinc/04/68/22/185046822.db2.gz CYNSCETXJPJUCK-GXFFZTMASA-N 0 3 273.829 3.105 50 0 CGAAHN C[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000095968322 185046829 /nfs/dbraw/zinc/04/68/29/185046829.db2.gz HXKKLJSLPCJYGV-UKRRQHHQSA-N 0 3 259.349 3.096 50 0 CGAAHN COC[C@@H](N[C@@H](C)Cc1ccsc1)c1ccco1 ZINC000095968835 185047643 /nfs/dbraw/zinc/04/76/43/185047643.db2.gz GPSWWHXPYCQKRL-WCQYABFASA-N 0 3 265.378 3.249 50 0 CGAAHN COc1cc(C)ccc1OCCN1CCCCCC1 ZINC000004985942 344860292 /nfs/dbraw/zinc/86/02/92/344860292.db2.gz PGLBSHDLSGUWAY-UHFFFAOYSA-N 0 3 263.381 3.258 50 0 CGAAHN CC(C)Oc1ccc(Br)cc1[C@H](C)N ZINC000052066271 345096716 /nfs/dbraw/zinc/09/67/16/345096716.db2.gz SOXNWMPAFYVANH-QMMMGPOBSA-N 0 3 258.159 3.256 50 0 CGAAHN CCc1ccc(CNCc2cccc(CO)c2)s1 ZINC000066594067 345300837 /nfs/dbraw/zinc/30/08/37/345300837.db2.gz MOEQPCLBFPCWGG-UHFFFAOYSA-N 0 3 261.390 3.093 50 0 CGAAHN C[C@H](N[C@H]1CCCC[C@@H]1n1cccn1)c1cccc(O)c1 ZINC000194906787 346272272 /nfs/dbraw/zinc/27/22/72/346272272.db2.gz UELHZBBJIYDFML-JQFCIGGWSA-N 0 3 285.391 3.423 50 0 CGAAHN Cn1cc([C@H]2CCN(C/C=C/c3ccc(F)cc3)C2)cn1 ZINC000128485699 187373704 /nfs/dbraw/zinc/37/37/04/187373704.db2.gz DUKJZPWCENJNAN-FAAWYNLUSA-N 0 3 285.366 3.062 50 0 CGAAHN Cc1ccc([C@@](C)(O)CN[C@H]2CCCc3occc32)o1 ZINC000192900282 189631416 /nfs/dbraw/zinc/63/14/16/189631416.db2.gz UUAQQNPGXPIJDT-BBRMVZONSA-N 0 3 275.348 3.056 50 0 CGAAHN OCC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000000210789 368317276 /nfs/dbraw/zinc/31/72/76/368317276.db2.gz NVOMAEBBPJWPLL-CQSZACIVSA-N 0 3 253.773 3.077 50 0 CGAAHN CCOC(=O)[C@@H]1CCCN(Cc2ccc(C)cc2C)C1 ZINC000000241034 368323041 /nfs/dbraw/zinc/32/30/41/368323041.db2.gz OGTUGMNLNCGVAM-MRXNPFEDSA-N 0 3 275.392 3.079 50 0 CGAAHN Cc1cc(NC(=O)CNC2CCCCC2)c2ccccc2n1 ZINC000000712007 368393451 /nfs/dbraw/zinc/39/34/51/368393451.db2.gz PZSQXCIMXQEPRK-UHFFFAOYSA-N 0 3 297.402 3.404 50 0 CGAAHN CCOC(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 ZINC000000757275 368393706 /nfs/dbraw/zinc/39/37/06/368393706.db2.gz WTKZLMHFHCIAGK-AWEZNQCLSA-N 0 3 275.392 3.065 50 0 CGAAHN CCN(CC)CCOC(=O)c1oc2ccccc2c1C ZINC000001845019 368439728 /nfs/dbraw/zinc/43/97/28/368439728.db2.gz JZFWTZVHIUWKCI-UHFFFAOYSA-N 0 3 275.348 3.240 50 0 CGAAHN OCCCN(Cc1ccccc1)Cc1ccccc1 ZINC000002545390 368463396 /nfs/dbraw/zinc/46/33/96/368463396.db2.gz LKOXRTJFYFGTKJ-UHFFFAOYSA-N 0 3 255.361 3.071 50 0 CGAAHN Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1 ZINC000002867973 368482261 /nfs/dbraw/zinc/48/22/61/368482261.db2.gz XHTAAEZHPPFTSB-UHFFFAOYSA-N 0 3 256.349 3.235 50 0 biogenic CGAAHN COCCNCCOc1ccc(Cl)cc1C(C)(C)C ZINC000003001758 368488303 /nfs/dbraw/zinc/48/83/03/368488303.db2.gz BVMHBHSMXZAVJB-UHFFFAOYSA-N 0 3 285.815 3.252 50 0 CGAAHN O[C@]12CCCC[C@@H]1[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000004012282 368525897 /nfs/dbraw/zinc/52/58/97/368525897.db2.gz KUYBDOWEEWZIMG-KFWWJZLASA-N 0 3 265.784 3.296 50 0 CGAAHN CC(C)C[C@@H](O)c1ccc2c(c1)CN(CC1CC1)CCO2 ZINC000011999426 368601804 /nfs/dbraw/zinc/60/18/04/368601804.db2.gz RHBHIIKAXYNEJR-QGZVFWFLSA-N 0 3 289.419 3.371 50 0 CGAAHN COc1cccc2c1OC[C@@H](NCc1ccc(C)cc1)C2 ZINC000015063740 368690145 /nfs/dbraw/zinc/69/01/45/368690145.db2.gz AWROGUBVSNSTLG-INIZCTEOSA-N 0 3 283.371 3.097 50 0 CGAAHN c1cc2c(cccc2CNCc2ccc3c(c2)OCO3)[nH]1 ZINC000014987932 368686750 /nfs/dbraw/zinc/68/67/50/368686750.db2.gz BFLFCHOLSNKEEE-UHFFFAOYSA-N 0 3 280.327 3.186 50 0 biogenic CGAAHN Cc1ccn(CCN2CCC(Oc3cccc(C)c3)CC2)n1 ZINC000019147313 368743871 /nfs/dbraw/zinc/74/38/71/368743871.db2.gz IFTPWMMVLFFJQL-UHFFFAOYSA-N 0 3 299.418 3.043 50 0 CGAAHN OC[C@@H]1CCCN1Cc1ccc(OCc2ccccc2)cc1 ZINC000023280714 368818291 /nfs/dbraw/zinc/81/82/91/368818291.db2.gz MLBNDXLLJFHQEK-SFHVURJKSA-N 0 3 297.398 3.222 50 0 CGAAHN CCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000027989160 368879152 /nfs/dbraw/zinc/87/91/52/368879152.db2.gz ODFVNQUJIJKMHD-INIZCTEOSA-N 0 3 274.408 3.048 50 0 CGAAHN Cc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCC2)cc1 ZINC000027992446 368879409 /nfs/dbraw/zinc/87/94/09/368879409.db2.gz GGYZCSXWBAKOCB-QGZVFWFLSA-N 0 3 288.435 3.294 50 0 CGAAHN C[C@@H](NC(C)(C)C)C(=O)c1cccc(Br)c1 ZINC000033647595 368967502 /nfs/dbraw/zinc/96/75/02/368967502.db2.gz GIDJZDYNVHMFAH-SECBINFHSA-N 0 3 284.197 3.408 50 0 in-vivo CGAAHN CN(C(=O)c1csc2ccccc12)C1CCN(C)CC1 ZINC000032865791 368949481 /nfs/dbraw/zinc/94/94/81/368949481.db2.gz CKQKTIYXISRSQJ-UHFFFAOYSA-N 0 3 288.416 3.068 50 0 CGAAHN CC(C)CCN(Cc1ccsc1)C[C@H](O)COC(C)C ZINC000036099592 369008389 /nfs/dbraw/zinc/00/83/89/369008389.db2.gz CUBTVFXQXIUYOH-INIZCTEOSA-N 0 3 299.480 3.382 50 0 CGAAHN N[C@@H](c1ccc(F)cc1)c1cnc2ccccc2c1 ZINC000037761759 369104430 /nfs/dbraw/zinc/10/44/30/369104430.db2.gz IAYYWQKHEGNAIJ-INIZCTEOSA-N 0 3 252.292 3.422 50 0 CGAAHN O[C@H](CNCc1ccccc1Cl)c1ccsc1 ZINC000219107122 376195606 /nfs/dbraw/zinc/19/56/06/376195606.db2.gz MQIURWYSOIWJRS-CYBMUJFWSA-N 0 3 267.781 3.225 50 0 CGAAHN Clc1cccc(-c2nc3c(s2)CNCC3)c1 ZINC000053335617 369482417 /nfs/dbraw/zinc/48/24/17/369482417.db2.gz CSWQEVFZLHCJDL-UHFFFAOYSA-N 0 3 250.754 3.109 50 0 CGAAHN c1ccc(CC[C@@H]2CN(C3CCCC3)CCO2)cc1 ZINC000055134238 369512047 /nfs/dbraw/zinc/51/20/47/369512047.db2.gz DFHQZLAGYSCOTH-QGZVFWFLSA-N 0 3 259.393 3.263 50 0 CGAAHN CCCc1nc(CNC2CCSCC2)cs1 ZINC000065370990 369669336 /nfs/dbraw/zinc/66/93/36/369669336.db2.gz DBQPKDJGJSFJCB-UHFFFAOYSA-N 0 3 256.440 3.081 50 0 CGAAHN Cc1[nH]c2ccc(CNc3cc(C)nc(N)n3)cc2c1C ZINC000064947697 369662351 /nfs/dbraw/zinc/66/23/51/369662351.db2.gz WCBAOYIKTPEOHA-UHFFFAOYSA-N 0 3 281.363 3.077 50 0 CGAAHN CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000069588136 369765346 /nfs/dbraw/zinc/76/53/46/369765346.db2.gz OWAIIRRCFFIFEC-GJZGRUSLSA-N 0 3 292.810 3.039 50 0 CGAAHN CSCCCN1CCCC[C@@H]1c1ccccn1 ZINC000072171621 369816257 /nfs/dbraw/zinc/81/62/57/369816257.db2.gz OHTFWLSLDXXANJ-CQSZACIVSA-N 0 3 250.411 3.362 50 0 CGAAHN C[C@@H]1CC[C@H](CCC(=O)Nc2cccc(CN(C)C)c2)O1 ZINC000076082712 369928626 /nfs/dbraw/zinc/92/86/26/369928626.db2.gz UYCROCRPUFDCFX-CZUORRHYSA-N 0 3 290.407 3.034 50 0 CGAAHN c1ccc(CNC[C@H]2C[C@]23CCc2ccccc23)nc1 ZINC000088744984 370036959 /nfs/dbraw/zinc/03/69/59/370036959.db2.gz CQQYCQBRLCUAIR-CRAIPNDOSA-N 0 3 264.372 3.075 50 0 CGAAHN CC(=O)Nc1cccc([C@@H](C)N[C@H]2C=CCCC2)c1 ZINC000090393088 370060898 /nfs/dbraw/zinc/06/08/98/370060898.db2.gz DNXKNOODCZUJDD-DOMZBBRYSA-N 0 3 258.365 3.404 50 0 CGAAHN Cc1cnc([C@@H]2CCCN(CCN3CCCCC3)C2)s1 ZINC000095399127 370182805 /nfs/dbraw/zinc/18/28/05/370182805.db2.gz VGALGFQUOBXTNV-OAHLLOKOSA-N 0 3 293.480 3.117 50 0 CGAAHN Cc1ccc(-c2ncc(CN3CCC[C@]3(C)CO)s2)o1 ZINC000097105383 370225733 /nfs/dbraw/zinc/22/57/33/370225733.db2.gz XGUQMKOSIUZTGU-OAHLLOKOSA-N 0 3 292.404 3.058 50 0 CGAAHN CCn1c(C)nnc1CN[C@H](C)[C@@H](C)C1CCCCC1 ZINC000097110879 370226437 /nfs/dbraw/zinc/22/64/37/370226437.db2.gz JCYCWHAZMHXTNL-CHWSQXEVSA-N 0 3 278.444 3.301 50 0 CGAAHN Cc1nc(-c2ccccc2N(C)C)n(-c2ccnc(C)c2)n1 ZINC000097814962 370254005 /nfs/dbraw/zinc/25/40/05/370254005.db2.gz AEQJRJHHUNAVBT-UHFFFAOYSA-N 0 3 293.374 3.012 50 0 CGAAHN COc1cccc([C@@H]2CCCCN2Cc2cnc[nH]2)c1 ZINC000097655544 370249992 /nfs/dbraw/zinc/24/99/92/370249992.db2.gz KCCNYYXHOUYPEX-INIZCTEOSA-N 0 3 271.364 3.146 50 0 CGAAHN CC[C@H](NCc1ccnn1C)c1ccc(OC(F)F)cc1 ZINC000095420186 370187868 /nfs/dbraw/zinc/18/78/68/370187868.db2.gz GYVBRGQPXJTQHH-AWEZNQCLSA-N 0 3 295.333 3.262 50 0 CGAAHN C[C@H](CO)N[C@@H]1C[C@H](c2ccccc2)Oc2ccccc21 ZINC000095420760 370188452 /nfs/dbraw/zinc/18/84/52/370188452.db2.gz NOFKTQNGMCQLSG-MZMPZRCHSA-N 0 3 283.371 3.222 50 0 CGAAHN Cc1cccc([C@@H](C)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000095421123 370188542 /nfs/dbraw/zinc/18/85/42/370188542.db2.gz XKOMLUHRMNRHFF-OAHLLOKOSA-N 0 3 292.386 3.427 50 0 CGAAHN Cc1ccc([C@@H](C)NCc2ccccc2OCCO)s1 ZINC000095423112 370189564 /nfs/dbraw/zinc/18/95/64/370189564.db2.gz ZIWUEMMFWKCNCE-CYBMUJFWSA-N 0 3 291.416 3.278 50 0 CGAAHN Cc1cc(C)nc(NCc2c[nH]nc2-c2cccnc2)c1 ZINC000095431271 370192386 /nfs/dbraw/zinc/19/23/86/370192386.db2.gz OLJVBSVVIFGOIC-UHFFFAOYSA-N 0 3 279.347 3.096 50 0 CGAAHN Cc1ncsc1CN[C@H](C)C[C@@H](O)c1ccc(F)cc1 ZINC000095448884 370195501 /nfs/dbraw/zinc/19/55/01/370195501.db2.gz ICISBKRPOUQCMR-QMTHXVAHSA-N 0 3 294.395 3.192 50 0 CGAAHN C[C@H](N[C@@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793879 370450985 /nfs/dbraw/zinc/45/09/85/370450985.db2.gz CQXQAIDOZIYLOU-CMPLNLGQSA-N 0 3 271.307 3.118 50 0 CGAAHN C[C@@H](N[C@@H]1CCCOC1)c1cccc(OC(F)F)c1 ZINC000112793881 370451900 /nfs/dbraw/zinc/45/19/00/370451900.db2.gz CQXQAIDOZIYLOU-ZYHUDNBSSA-N 0 3 271.307 3.118 50 0 CGAAHN Cc1nc(-c2ccc([C@@H](C)[NH+]3CCCC3)cc2)cc(=O)[n-]1 ZINC000426394530 372155556 /nfs/dbraw/zinc/15/55/56/372155556.db2.gz HIGKWRICZBGGFU-GFCCVEGCSA-N 0 3 283.375 3.314 50 0 CGAAHN CC[C@H](N[C@@H](C)C[S@](C)=O)c1cccc(Cl)c1F ZINC000162268134 372384103 /nfs/dbraw/zinc/38/41/03/372384103.db2.gz AQGUZCFLNDDHSG-RPRQWQAVSA-N 0 3 291.819 3.287 50 0 CGAAHN C[C@H](CN1CCC(CC(N)=O)CC1)c1cccc(Cl)c1 ZINC000189687353 375435288 /nfs/dbraw/zinc/43/52/88/375435288.db2.gz WDOCBVFVTAGFLX-GFCCVEGCSA-N 0 3 294.826 3.031 50 0 CGAAHN Cc1c(F)cccc1-c1ccc(CN2CCC[C@H](O)C2)o1 ZINC000225532750 376314436 /nfs/dbraw/zinc/31/44/36/376314436.db2.gz XVJWADICSQKEIG-ZDUSSCGKSA-N 0 3 289.350 3.351 50 0 CGAAHN Cc1cccc2c1OCC[C@@H]2N[C@H](C)[C@]1(C)CCCO1 ZINC000252493626 377632928 /nfs/dbraw/zinc/63/29/28/377632928.db2.gz NEURMEGUEHENPW-KMFMINBZSA-N 0 3 275.392 3.366 50 0 CGAAHN COCC[C@H](N[C@H](C)c1cn[nH]c1)c1ccc(Cl)cc1 ZINC000253416092 377691080 /nfs/dbraw/zinc/69/10/80/377691080.db2.gz YJDRNERRBSNJDE-ABAIWWIYSA-N 0 3 293.798 3.492 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@@H]1CCCN(Cc2ccccn2)C1 ZINC000575547349 377918121 /nfs/dbraw/zinc/91/81/21/377918121.db2.gz ZWTGYEMGTMPFSS-QGZVFWFLSA-N 0 3 296.418 3.301 50 0 CGAAHN COc1cccc(CN[C@H](C)Cc2ccc(O)cc2)c1F ZINC000192679673 542268779 /nfs/dbraw/zinc/26/87/79/542268779.db2.gz MTCHIXIZRVPTSO-GFCCVEGCSA-N 0 3 289.350 3.261 50 0 CGAAHN O=c1oc2ccccc2n1CN1CCC[C@@H]2CCCC[C@H]21 ZINC000230111297 285229578 /nfs/dbraw/zinc/22/95/78/285229578.db2.gz CKVQWMDUDKOPKL-UONOGXRCSA-N 0 3 286.375 3.207 50 0 CGAAHN O[C@H](COc1ccc2ccccc2c1)CN1CCCCC1 ZINC000003864554 285358150 /nfs/dbraw/zinc/35/81/50/285358150.db2.gz XPIQAAHSQFWBDD-KRWDZBQOSA-N 0 3 285.387 3.065 50 0 CGAAHN CC(C)c1ccc(C(=O)[C@@H]2CN3CCC2CC3)cc1 ZINC000005219647 391923261 /nfs/dbraw/zinc/92/32/61/391923261.db2.gz ZVQXZDYAPDZFAH-MRXNPFEDSA-N 0 3 257.377 3.335 50 0 CGAAHN CC[C@H](COC)N[C@@H](C)c1nc2ccccc2n1CC ZINC000090118316 392228825 /nfs/dbraw/zinc/22/88/25/392228825.db2.gz ZHNJWFJVSXPUJW-QWHCGFSZSA-N 0 3 275.396 3.132 50 0 CGAAHN CC(C)Oc1ccc([C@H]2CCC[C@@H]2NCC(N)=O)cc1 ZINC000328588585 392676638 /nfs/dbraw/zinc/67/66/38/392676638.db2.gz JKDZYZIJBQNIIF-CABCVRRESA-N 0 3 276.380 3.235 50 0 CGAAHN CC(=O)c1ccc(N2CCN(C[C@H]3CC=CCC3)CC2)cc1 ZINC000004980580 134653035 /nfs/dbraw/zinc/65/30/35/134653035.db2.gz IRUMCGPDHMOZEG-KRWDZBQOSA-N 0 3 298.430 3.368 50 0 CGAAHN Cc1nccn1C[C@@H]1CCCN(Cc2ccsc2)C1 ZINC000670438876 543154882 /nfs/dbraw/zinc/15/48/82/543154882.db2.gz OFJWARLVLLJWTM-CQSZACIVSA-N 0 3 275.421 3.165 50 0 CGAAHN CC(C)SCC(=O)NCC1(N2CCCCC2)CCCC1 ZINC000670444343 543154058 /nfs/dbraw/zinc/15/40/58/543154058.db2.gz WZKDJNOPGJBUAC-UHFFFAOYSA-N 0 3 298.496 3.043 50 0 CGAAHN c1ccc(C2=NO[C@@H](CN3CCC4(CCCC4)C3)C2)cc1 ZINC000670453875 543155603 /nfs/dbraw/zinc/15/56/03/543155603.db2.gz JNVNNYJEBCJYDJ-MRXNPFEDSA-N 0 3 284.403 3.446 50 0 CGAAHN CN(CCCn1cccn1)Cc1ccccc1OC(F)F ZINC000670454644 543155312 /nfs/dbraw/zinc/15/53/12/543155312.db2.gz BYJZPAMYYCDSAB-UHFFFAOYSA-N 0 3 295.333 3.007 50 0 CGAAHN CCCNC(=O)c1cccc(CNCc2ccc(C)cc2)c1 ZINC000047794350 397635261 /nfs/dbraw/zinc/63/52/61/397635261.db2.gz OLCMZTGFFWROOS-UHFFFAOYSA-N 0 3 296.414 3.425 50 0 CGAAHN Cc1ccc(CN(CCO)[C@H]2CCc3ccccc32)o1 ZINC000093387631 287115983 /nfs/dbraw/zinc/11/59/83/287115983.db2.gz XDFSFNIDOISQPJ-KRWDZBQOSA-N 0 3 271.360 3.070 50 0 CGAAHN Clc1ccc(OCCNCc2ccco2)cc1 ZINC000002510386 169797589 /nfs/dbraw/zinc/79/75/89/169797589.db2.gz SJVBFYJXYMKDNV-UHFFFAOYSA-N 0 3 251.713 3.102 50 0 CGAAHN COc1cccc(C=O)c1OCCCN1CCC[C@H](C)C1 ZINC000004842746 170029148 /nfs/dbraw/zinc/02/91/48/170029148.db2.gz XVEQGUBIBFWMEU-AWEZNQCLSA-N 0 3 291.391 3.009 50 0 CGAAHN OCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000004942886 170043142 /nfs/dbraw/zinc/04/31/42/170043142.db2.gz BCNIROLOCVZMEX-UHFFFAOYSA-N 0 3 286.158 3.335 50 0 CGAAHN Cc1[nH]c(=S)[nH]c(=O)c1Cc1cccc2ccccc21 ZINC000006412537 170199438 /nfs/dbraw/zinc/19/94/38/170199438.db2.gz KHDGURNPQPKBBF-UHFFFAOYSA-N 0 3 282.368 3.485 50 0 CGAAHN COc1cc(CNCc2ccc(C)cc2)cc2c1OCO2 ZINC000006558964 170213328 /nfs/dbraw/zinc/21/33/28/170213328.db2.gz BVJQDAWBEKJBEW-UHFFFAOYSA-N 0 3 285.343 3.022 50 0 CGAAHN CCOC(=O)c1ccoc1CNCC1CCCCC1 ZINC000006584692 170216247 /nfs/dbraw/zinc/21/62/47/170216247.db2.gz LICLMYFZJGXWJN-UHFFFAOYSA-N 0 3 265.353 3.126 50 0 CGAAHN OCCNCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008395493 170334943 /nfs/dbraw/zinc/33/49/43/170334943.db2.gz KSZHSVIGMTYTAO-UHFFFAOYSA-N 0 3 291.778 3.001 50 0 CGAAHN CCCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1 ZINC000008717127 170349108 /nfs/dbraw/zinc/34/91/08/170349108.db2.gz LJAQRTNILHNXPJ-UHFFFAOYSA-N 0 3 274.364 3.099 50 0 CGAAHN CCc1cccc2c(=O)c(CN3CCCC3)c(C)[nH]c12 ZINC000008926974 170359128 /nfs/dbraw/zinc/35/91/28/170359128.db2.gz VIIPJSFPPGQWOX-UHFFFAOYSA-N 0 3 270.376 3.407 50 0 CGAAHN C[C@@H](COc1cccc2ccccc21)CN1CCN(C)CC1 ZINC000020358218 171157540 /nfs/dbraw/zinc/15/75/40/171157540.db2.gz UZAKPJWEDZHORJ-MRXNPFEDSA-N 0 3 298.430 3.102 50 0 CGAAHN CCCOc1ccc(Oc2ncccc2CN)cc1 ZINC000020473845 171217887 /nfs/dbraw/zinc/21/78/87/171217887.db2.gz YKILBLPQBANTJK-UHFFFAOYSA-N 0 3 258.321 3.121 50 0 CGAAHN CCc1c[nH]nc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000020599520 171266181 /nfs/dbraw/zinc/26/61/81/171266181.db2.gz USYCFDVCQNCTBO-OAHLLOKOSA-N 0 3 287.382 3.491 50 0 CGAAHN C[C@H](NC(=O)C[C@H](N)c1ccccc1)c1cccs1 ZINC000035736804 172389815 /nfs/dbraw/zinc/38/98/15/172389815.db2.gz CRHCNUFSDTWGJL-AAEUAGOBSA-N 0 3 274.389 3.015 50 0 CGAAHN Cc1nc(-c2ccc(N[C@@H]3CN4CCC3CC4)cc2)co1 ZINC000037508758 173242544 /nfs/dbraw/zinc/24/25/44/173242544.db2.gz XOZYTEGBRYIMEW-MRXNPFEDSA-N 0 3 283.375 3.156 50 0 CGAAHN C[C@@H]1CCCCN1CCNC(=O)c1c(F)cccc1Cl ZINC000046857424 175399577 /nfs/dbraw/zinc/39/95/77/175399577.db2.gz PJJXVWJSEYPLJF-LLVKDONJSA-N 0 3 298.789 3.083 50 0 CGAAHN CCCn1ncc(CN2CCCC[C@@H]2CCCOC)c1C ZINC000077564076 177281097 /nfs/dbraw/zinc/28/10/97/177281097.db2.gz NRDOTYMERRYNNO-QGZVFWFLSA-N 0 3 293.455 3.383 50 0 CGAAHN O[C@@]1(c2ccccc2)CCN(Cc2ccccc2Cl)C1 ZINC000019853619 641038648 /nfs/dbraw/zinc/03/86/48/641038648.db2.gz BSGKDIVDTCEBLL-KRWDZBQOSA-N 0 3 287.790 3.434 50 0 CGAAHN c1ccc([C@@H]2CCCN2CCSc2ccncc2)nc1 ZINC000585133620 799679043 /nfs/dbraw/zinc/67/90/43/799679043.db2.gz NRUNNCXDFDQFRP-INIZCTEOSA-N 0 3 285.416 3.406 50 0 CGAAHN CSC[C@@](C)(O)CN[C@@H](C)c1ccc(Cl)cc1 ZINC000095968287 185046588 /nfs/dbraw/zinc/04/65/88/185046588.db2.gz CYNSCETXJPJUCK-GWCFXTLKSA-N 0 3 273.829 3.105 50 0 CGAAHN Clc1ccc([C@@H]2OCC[C@@H]2NCc2ccncc2)cc1 ZINC000095984344 185055616 /nfs/dbraw/zinc/05/56/16/185055616.db2.gz NJXBHDMKGUZGOU-HOTGVXAUSA-N 0 3 288.778 3.355 50 0 CGAAHN CN(C)Cc1ccc([C@@H]2CCCCN2Cc2ncc[nH]2)cc1 ZINC000065385492 282148361 /nfs/dbraw/zinc/14/83/61/282148361.db2.gz BAPSQPFFIJZIKY-KRWDZBQOSA-N 0 3 298.434 3.199 50 0 CGAAHN C[S@](=O)CCNCc1ccc(-c2ccccc2F)s1 ZINC000072286925 345408401 /nfs/dbraw/zinc/40/84/01/345408401.db2.gz LIWFWXRBPUYRTL-LJQANCHMSA-N 0 3 297.420 3.022 50 0 CGAAHN Cn1cccc1CN[C@H]1CCCc2c1cnn2C(C)(C)C ZINC000072291867 345408816 /nfs/dbraw/zinc/40/88/16/345408816.db2.gz QTNQKHRGGYLCOO-HNNXBMFYSA-N 0 3 286.423 3.144 50 0 CGAAHN CC[C@H](CN1CCCC1)NC(=O)Nc1ccc(C)c(F)c1 ZINC000075107643 345495423 /nfs/dbraw/zinc/49/54/23/345495423.db2.gz MLFJFBXZYLFJST-CYBMUJFWSA-N 0 3 293.386 3.130 50 0 CGAAHN CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C/C=C/c1ccccc1 ZINC000075133699 345496120 /nfs/dbraw/zinc/49/61/20/345496120.db2.gz WUXAOXWZYNPWBE-XYCCBJPKSA-N 0 3 298.430 3.175 50 0 CGAAHN CCn1cc(CN2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC000093335563 345875972 /nfs/dbraw/zinc/87/59/72/345875972.db2.gz JZSXFZUEZGOIJB-HNNXBMFYSA-N 0 3 273.355 3.032 50 0 CGAAHN c1coc([C@@H]2CCCN2CCOc2ccccc2)c1 ZINC000116295852 345976929 /nfs/dbraw/zinc/97/69/29/345976929.db2.gz IXUNQNHMPCXQMC-HNNXBMFYSA-N 0 3 257.333 3.496 50 0 CGAAHN CC[C@H](NC[C@H](C)[S@](C)=O)c1cccc(Cl)c1F ZINC000161957342 346177138 /nfs/dbraw/zinc/17/71/38/346177138.db2.gz YSAJLKRVWAIHRD-RPRQWQAVSA-N 0 3 291.819 3.287 50 0 CGAAHN Fc1cc(F)cc(C2(N[C@H]3CCSC3)CC2)c1 ZINC000584892184 346722123 /nfs/dbraw/zinc/72/21/23/346722123.db2.gz KZPGYOZQFUCNFT-LBPRGKRZSA-N 0 3 255.333 3.049 50 0 CGAAHN Clc1ccc([C@H]2OCC[C@@H]2NCc2ccncc2)cc1 ZINC000095984343 282513880 /nfs/dbraw/zinc/51/38/80/282513880.db2.gz NJXBHDMKGUZGOU-JKSUJKDBSA-N 0 3 288.778 3.355 50 0 CGAAHN COc1ccc(CNCc2cccc(N(C)C)c2)cc1 ZINC000105434863 186056480 /nfs/dbraw/zinc/05/64/80/186056480.db2.gz LXIRPNSJQFMUHX-UHFFFAOYSA-N 0 3 270.376 3.051 50 0 CGAAHN CCC[C@@]1(CO)CCCN(CCCC(F)(F)F)C1 ZINC000091876429 180278763 /nfs/dbraw/zinc/27/87/63/180278763.db2.gz KVDKWHDXCHJZTR-GFCCVEGCSA-N 0 3 267.335 3.204 50 0 CGAAHN Cc1cnn([C@@H]2CCCN(Cc3cccs3)C2)c1 ZINC000123001437 187064849 /nfs/dbraw/zinc/06/48/49/187064849.db2.gz NCWNYHZOWQYNCF-CYBMUJFWSA-N 0 3 261.394 3.090 50 0 CGAAHN COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1O ZINC000000189597 368312089 /nfs/dbraw/zinc/31/20/89/368312089.db2.gz RTCKOLLOWGYZCT-KRWDZBQOSA-N 0 3 294.354 3.117 50 0 biogenic CGAAHN COc1ccc(CN2CCSCC2)c2ccccc12 ZINC000000278986 368331819 /nfs/dbraw/zinc/33/18/19/368331819.db2.gz RPPIZUXXJMTUSV-UHFFFAOYSA-N 0 3 273.401 3.397 50 0 CGAAHN OCCN(Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000000278682 368332005 /nfs/dbraw/zinc/33/20/05/368332005.db2.gz CZZQODMVFFVTMN-UHFFFAOYSA-N 0 3 275.779 3.335 50 0 CGAAHN CC(C)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000000285865 368333047 /nfs/dbraw/zinc/33/30/47/368333047.db2.gz RBOORHPKICAWDS-INIZCTEOSA-N 0 3 277.408 3.036 50 0 CGAAHN Cc1cc(Cl)ccc1OC[C@H](O)CN1CCC(C)CC1 ZINC000000350528 368345712 /nfs/dbraw/zinc/34/57/12/368345712.db2.gz WGGVSJLOKWPXEY-OAHLLOKOSA-N 0 3 297.826 3.120 50 0 CGAAHN C[C@@H](CN1CCC(C)CC1)OC(=O)c1cccs1 ZINC000000808188 368395796 /nfs/dbraw/zinc/39/57/96/368395796.db2.gz TXRDBDWBHMVYCY-LBPRGKRZSA-N 0 3 267.394 3.025 50 0 CGAAHN CN(CC1OCc2ccccc2CO1)C1CCCCC1 ZINC000000510265 368381239 /nfs/dbraw/zinc/38/12/39/368381239.db2.gz UWVVMIVOLMLYNU-UHFFFAOYSA-N 0 3 275.392 3.324 50 0 CGAAHN CC[C@@H](NCc1cccnc1)c1ccc(OC)c(OC)c1 ZINC000000549308 368386085 /nfs/dbraw/zinc/38/60/85/368386085.db2.gz CHEYOVHGAFSPII-OAHLLOKOSA-N 0 3 286.375 3.340 50 0 CGAAHN CCc1ccc(NC(=S)NC[C@H]2CCCN2CC)cc1 ZINC000003287353 368500024 /nfs/dbraw/zinc/50/00/24/368500024.db2.gz ZJXZVKDVSFKOBI-OAHLLOKOSA-N 0 3 291.464 3.020 50 0 CGAAHN Cc1ccc2[nH]c(=O)c(CNCc3cccs3)cc2c1 ZINC000004160549 368533540 /nfs/dbraw/zinc/53/35/40/368533540.db2.gz AHNXSFJSKWMDIY-UHFFFAOYSA-N 0 3 284.384 3.188 50 0 CGAAHN CCOC(=O)c1ccc(CNCc2ccc(C)cc2)cc1 ZINC000004670133 368555436 /nfs/dbraw/zinc/55/54/36/368555436.db2.gz HWCQHJXCSZEFPW-UHFFFAOYSA-N 0 3 283.371 3.462 50 0 CGAAHN N=C1Nc2ccccc2C12C1CC3CC(C1)CC2C3 ZINC000004489361 368547072 /nfs/dbraw/zinc/54/70/72/368547072.db2.gz YGNPRZCOWVVYFD-UHFFFAOYSA-N 0 3 252.361 3.383 50 0 CGAAHN COc1cc2c(cc1OC)CN([C@@H]1CC[C@H](C)C1)CC2 ZINC000005723366 368564679 /nfs/dbraw/zinc/56/46/79/368564679.db2.gz QEQPVXMSEFTRIW-SWLSCSKDSA-N 0 3 275.392 3.251 50 0 CGAAHN O=C(NCCN1CCCCC1)c1csc2ccccc12 ZINC000016604552 368717566 /nfs/dbraw/zinc/71/75/66/368717566.db2.gz ZOVFWTAFEPROIA-UHFFFAOYSA-N 0 3 288.416 3.117 50 0 CGAAHN O=C(NC1CCN(C2CC2)CC1)c1ccc2ccccc2c1 ZINC000014528289 368682068 /nfs/dbraw/zinc/68/20/68/368682068.db2.gz FWBNSYLPSNXNFW-UHFFFAOYSA-N 0 3 294.398 3.196 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000018940166 368742545 /nfs/dbraw/zinc/74/25/45/368742545.db2.gz IZKGOEUYPUKABW-UHFFFAOYSA-N 0 3 268.788 3.365 50 0 CGAAHN N[C@@H](c1cccnc1)c1cccc(C(F)(F)F)c1 ZINC000019972333 368792138 /nfs/dbraw/zinc/79/21/38/368792138.db2.gz UXJHXOOPEBTWIY-GFCCVEGCSA-N 0 3 252.239 3.149 50 0 CGAAHN CCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1 ZINC000027990390 368879210 /nfs/dbraw/zinc/87/92/10/368879210.db2.gz XKTGUMAXEJALMC-KRWDZBQOSA-N 0 3 288.435 3.438 50 0 CGAAHN CN(Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCCO1 ZINC000042977610 369239803 /nfs/dbraw/zinc/23/98/03/369239803.db2.gz FEMIPMHMOIFTSM-AWEZNQCLSA-N 0 3 285.334 3.289 50 0 CGAAHN CCOC(=O)CCCN1CCC(Cc2ccccc2)CC1 ZINC000058159350 369555030 /nfs/dbraw/zinc/55/50/30/369555030.db2.gz DNPYSLKFAXWIBU-UHFFFAOYSA-N 0 3 289.419 3.284 50 0 CGAAHN COC(=O)c1ccc(CN2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000065475260 369678778 /nfs/dbraw/zinc/67/87/78/369678778.db2.gz DEZHRQZAPPXSIR-INIZCTEOSA-N 0 3 284.359 3.138 50 0 CGAAHN COc1ccc2ccccc2c1CN[C@H]1CCN(C2CC2)C1 ZINC000069286918 369756816 /nfs/dbraw/zinc/75/68/16/369756816.db2.gz ROEOZYGKXYXQPX-HNNXBMFYSA-N 0 3 296.414 3.175 50 0 CGAAHN Cc1noc(C)c1CN1CC[C@@H](c2cccc(F)c2)C1 ZINC000069383553 369757541 /nfs/dbraw/zinc/75/75/41/369757541.db2.gz MFXJJHRZTYSHMJ-CQSZACIVSA-N 0 3 274.339 3.420 50 0 CGAAHN Cc1cnn(C[C@@H](C)NCc2cc3ccccc3o2)c1 ZINC000069560292 369763824 /nfs/dbraw/zinc/76/38/24/369763824.db2.gz ACGQBHYESZBBFN-CYBMUJFWSA-N 0 3 269.348 3.116 50 0 CGAAHN CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC000069588135 369764431 /nfs/dbraw/zinc/76/44/31/369764431.db2.gz OWAIIRRCFFIFEC-CABCVRRESA-N 0 3 292.810 3.039 50 0 CGAAHN C[C@H](O)[C@H]1CCCCN1Cc1cc(F)cc2cccnc21 ZINC000069703413 369767674 /nfs/dbraw/zinc/76/76/74/369767674.db2.gz PHSYIYILYOJWGI-BLLLJJGKSA-N 0 3 288.366 3.109 50 0 CGAAHN CCc1csc(CN[C@H](C)CN2CCCCCC2)n1 ZINC000067741925 369727409 /nfs/dbraw/zinc/72/74/09/369727409.db2.gz RWJMMTOJBPZRLM-CYBMUJFWSA-N 0 3 281.469 3.060 50 0 CGAAHN Cc1cc(CN2CCCC2)cc(Oc2ccc(C)nn2)c1 ZINC000067869350 369734299 /nfs/dbraw/zinc/73/42/99/369734299.db2.gz HTKQTHVHMUDDEG-UHFFFAOYSA-N 0 3 283.375 3.482 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)c2nc3ccccc3o2)n1 ZINC000078975486 369957456 /nfs/dbraw/zinc/95/74/56/369957456.db2.gz QKEYSCRJKYLQSE-NSHDSACASA-N 0 3 297.358 3.130 50 0 CGAAHN C[C@H](CC(=O)Nc1ccccc1)NCc1ccccc1 ZINC000075568124 369913928 /nfs/dbraw/zinc/91/39/28/369913928.db2.gz HIZBBGKTPFWAAG-CQSZACIVSA-N 0 3 268.360 3.194 50 0 CGAAHN Cc1cccc([C@@H](C)N2CCC[C@H](N3CCCC3=O)C2)c1 ZINC000075738317 369916920 /nfs/dbraw/zinc/91/69/20/369916920.db2.gz UAZITUQQRCDWGP-WBVHZDCISA-N 0 3 286.419 3.143 50 0 CGAAHN c1cc(CN(C[C@@H]2CCCO2)C2CCCC2)ccn1 ZINC000075831784 369919612 /nfs/dbraw/zinc/91/96/12/369919612.db2.gz AMLTVSDYDTTXLI-INIZCTEOSA-N 0 3 260.381 3.005 50 0 CGAAHN COc1cccc([C@@H](C)NCCn2cnc3ccccc32)c1 ZINC000084656249 370015071 /nfs/dbraw/zinc/01/50/71/370015071.db2.gz IJFJBMRKUIKOQX-CQSZACIVSA-N 0 3 295.386 3.396 50 0 CGAAHN OCc1cccc(-c2ccc(CN3CCCCC3)cn2)c1 ZINC000097759204 370253312 /nfs/dbraw/zinc/25/33/12/370253312.db2.gz ABXXWEXICFQOPA-UHFFFAOYSA-N 0 3 282.387 3.227 50 0 CGAAHN Cc1[nH]nc(CN(C)[C@H](C)Cc2ncccc2C)c1Cl ZINC000097578427 370246726 /nfs/dbraw/zinc/24/67/26/370246726.db2.gz HNMXJJVZLWOMRQ-LLVKDONJSA-N 0 3 292.814 3.138 50 0 CGAAHN COc1cc(OC)c([C@H](C)NC[C@H]2CCCO2)cc1Cl ZINC000095419235 370187003 /nfs/dbraw/zinc/18/70/03/370187003.db2.gz VYXAZWVASSJMNA-WDEREUQCSA-N 0 3 299.798 3.187 50 0 CGAAHN c1c2ccccc2oc1CNCCc1cn2c(n1)CCCC2 ZINC000097731806 370251270 /nfs/dbraw/zinc/25/12/70/370251270.db2.gz NUFLKVBVISJCSQ-UHFFFAOYSA-N 0 3 295.386 3.298 50 0 CGAAHN COCCn1nc(C)c(CN[C@H](C)c2cccs2)c1C ZINC000095420920 370188557 /nfs/dbraw/zinc/18/85/57/370188557.db2.gz DFZFTJJFYROFAC-GFCCVEGCSA-N 0 3 293.436 3.059 50 0 CGAAHN CC(C)(C)[S@](=O)CCN[C@@H]1CCCc2sccc21 ZINC000095968120 370203384 /nfs/dbraw/zinc/20/33/84/370203384.db2.gz UHISFXISRDLQGB-XIKOKIGWSA-N 0 3 285.478 3.262 50 0 CGAAHN O=C(CC12CC3CC(CC(C3)C1)C2)NNc1ccncc1 ZINC000003878912 541848788 /nfs/dbraw/zinc/84/87/88/541848788.db2.gz RJMCUHAIURAVCV-UHFFFAOYSA-N 0 3 285.391 3.131 50 0 CGAAHN CCn1nc(CN[C@@H]2CCCSC2)c2ccccc21 ZINC000136386957 371475583 /nfs/dbraw/zinc/47/55/83/371475583.db2.gz BJUQEFAEVUFUEE-GFCCVEGCSA-N 0 3 275.421 3.041 50 0 CGAAHN CCc1nc(N[C@H]2CCN(Cc3ccccc3)C2)ncc1C ZINC000426393072 372155348 /nfs/dbraw/zinc/15/53/48/372155348.db2.gz SIUWSGRZQOBJME-INIZCTEOSA-N 0 3 296.418 3.034 50 0 CGAAHN C[C@@H]1C[C@@H](CC(=O)NC[C@@H]2CCCN2C)CC(C)(C)C1 ZINC000170620679 372643767 /nfs/dbraw/zinc/64/37/67/372643767.db2.gz VXPJDAQYDUQLPP-ILXRZTDVSA-N 0 3 280.456 3.049 50 0 CGAAHN Cc1ccc(-c2ccc(CN3CCN(C)CC3)cc2)o1 ZINC000215029281 376145000 /nfs/dbraw/zinc/14/50/00/376145000.db2.gz IGAHGSSSHZDXLW-UHFFFAOYSA-N 0 3 270.376 3.002 50 0 CGAAHN CCN(Cc1cc(CN(C)C)cs1)Cc1cccnc1 ZINC000215838663 376152503 /nfs/dbraw/zinc/15/25/03/376152503.db2.gz XNOFLWJVBWSAPJ-UHFFFAOYSA-N 0 3 289.448 3.227 50 0 CGAAHN CC(C)=CCNC1(c2ccc(F)cc2)CCOCC1 ZINC000236730727 376688380 /nfs/dbraw/zinc/68/83/80/376688380.db2.gz XYIDJUSUDRQYRQ-UHFFFAOYSA-N 0 3 263.356 3.387 50 0 CGAAHN COC(C)(C)[C@H](C)NCc1ccccc1OCC1CC1 ZINC000340242850 376957743 /nfs/dbraw/zinc/95/77/43/376957743.db2.gz BDEQZOQOYMLHLS-ZDUSSCGKSA-N 0 3 277.408 3.379 50 0 CGAAHN Clc1ccccc1[C@H]1CCN(CCc2cn[nH]c2)C1 ZINC000252509517 377636411 /nfs/dbraw/zinc/63/64/11/377636411.db2.gz YOXXUYIGCXPSRK-ZDUSSCGKSA-N 0 3 275.783 3.095 50 0 CGAAHN Cc1oc2ccccc2c1CN[C@@H]1CCC(=O)NC12CCC2 ZINC000283097372 195791150 /nfs/dbraw/zinc/79/11/50/195791150.db2.gz SPQMALLONRLGRD-MRXNPFEDSA-N 0 3 298.386 3.032 50 0 CGAAHN CC[C@H](c1ccc(F)cc1)N1CCC[C@H](CCC(N)=O)C1 ZINC000096414854 392251065 /nfs/dbraw/zinc/25/10/65/392251065.db2.gz SUUXUWYCFMUDLT-CZUORRHYSA-N 0 3 292.398 3.254 50 0 CGAAHN COc1ccc([C@H](NCc2c[nH]nc2C)C(C)C)cc1 ZINC000097159134 392260938 /nfs/dbraw/zinc/26/09/38/392260938.db2.gz JYIVMTDSLSSMIJ-MRXNPFEDSA-N 0 3 273.380 3.214 50 0 CGAAHN c1ccc(OC2CCCC2)c(CN[C@@H]2CCCOC2)c1 ZINC000106251652 392299791 /nfs/dbraw/zinc/29/97/91/392299791.db2.gz ARYHARUZPVSAOB-OAHLLOKOSA-N 0 3 275.392 3.277 50 0 CGAAHN CCCCc1ccc(CN2CC[C@@H](C(=O)NCC)C2)s1 ZINC000216533836 392991434 /nfs/dbraw/zinc/99/14/34/392991434.db2.gz GBSHVGXZPGHPHY-CYBMUJFWSA-N 0 3 294.464 3.049 50 0 CGAAHN Cn1nccc1CN1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000670437959 543154590 /nfs/dbraw/zinc/15/45/90/543154590.db2.gz KOXGDFYCFVCHCE-CQSZACIVSA-N 0 3 289.810 3.453 50 0 CGAAHN COc1ccc(/C=C/CN2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000670435734 543154663 /nfs/dbraw/zinc/15/46/63/543154663.db2.gz KFGXZNBECYPRDJ-ICTCPBKTSA-N 0 3 297.402 3.311 50 0 CGAAHN CN1C[C@@H]2CCC[C@H]1CN(Cc1sccc1Cl)C2 ZINC000670457450 543156967 /nfs/dbraw/zinc/15/69/67/543156967.db2.gz KPHJHNBCMSZSDU-RYUDHWBXSA-N 0 3 284.856 3.318 50 0 CGAAHN CCOc1c(Cl)cc(CNC[C@H]2CCCO2)cc1OC ZINC000005019239 170056695 /nfs/dbraw/zinc/05/66/95/170056695.db2.gz CWZSXCAERZQJMO-GFCCVEGCSA-N 0 3 299.798 3.016 50 0 CGAAHN COc1ccc2ccccc2c1CN1CCC[C@@H](CO)C1 ZINC000005729832 170134360 /nfs/dbraw/zinc/13/43/60/170134360.db2.gz CERNYGYBEWSHHI-CQSZACIVSA-N 0 3 285.387 3.053 50 0 CGAAHN COc1ccc(CNCCSCc2ccco2)cc1 ZINC000006550638 170212140 /nfs/dbraw/zinc/21/21/40/170212140.db2.gz BYXCHDCWDPGOAK-UHFFFAOYSA-N 0 3 277.389 3.311 50 0 CGAAHN COCCNCc1ccc(-c2cccc(Cl)c2)o1 ZINC000007524870 170288986 /nfs/dbraw/zinc/28/89/86/170288986.db2.gz PWHLQOVKTKUIMO-UHFFFAOYSA-N 0 3 265.740 3.336 50 0 CGAAHN Cc1ccc(C)c2c(=O)c(CN3CCCC3)c(C)[nH]c12 ZINC000008717475 170349291 /nfs/dbraw/zinc/34/92/91/170349291.db2.gz BQZWQHMWENYCJT-UHFFFAOYSA-N 0 3 270.376 3.461 50 0 CGAAHN CCC(C)(C)NCC(=O)Nc1cc(Cl)ccc1OC ZINC000009721552 170384991 /nfs/dbraw/zinc/38/49/91/170384991.db2.gz RWUDPMBCPAQUSM-UHFFFAOYSA-N 0 3 284.787 3.065 50 0 CGAAHN Fc1cccc(CN[C@@H]2COc3ccccc3C2)c1F ZINC000020202116 171066239 /nfs/dbraw/zinc/06/62/39/171066239.db2.gz PRVZLYZUJBGKEZ-ZDUSSCGKSA-N 0 3 275.298 3.058 50 0 CGAAHN CCOC1CCN(CCCC(=O)c2ccccc2)CC1 ZINC000040689776 174376602 /nfs/dbraw/zinc/37/66/02/174376602.db2.gz HPTXUHHZOLTRMV-UHFFFAOYSA-N 0 3 275.392 3.150 50 0 CGAAHN Cc1ccsc1CNC[C@H](O)c1ccc(F)cc1F ZINC000044917834 175276551 /nfs/dbraw/zinc/27/65/51/175276551.db2.gz PLBBGRTUJSWNMB-ZDUSSCGKSA-N 0 3 283.343 3.158 50 0 CGAAHN O=C(c1ccccc1)[C@@H]1CCCN(c2ccncc2)C1 ZINC000077338633 177253920 /nfs/dbraw/zinc/25/39/20/177253920.db2.gz FNJHIUQUIMBRIE-OAHLLOKOSA-N 0 3 266.344 3.181 50 0 CGAAHN c1oc(-c2ccccc2)nc1CCNCc1cccnc1 ZINC000078552456 177353355 /nfs/dbraw/zinc/35/33/55/177353355.db2.gz QLDFDHWZJQHNRH-UHFFFAOYSA-N 0 3 279.343 3.069 50 0 CGAAHN COc1cccc([C@H](C)NC[C@H](O)c2ccc(C)cc2)c1 ZINC000084148690 416495737 /nfs/dbraw/zinc/49/57/37/416495737.db2.gz HOYOIRFBMXNQLZ-KSSFIOAISA-N 0 3 285.387 3.388 50 0 CGAAHN c1cc([C@@H]2CCCN(C[C@@H]3CCC4(CCCC4)O3)C2)n[nH]1 ZINC000682676723 543858110 /nfs/dbraw/zinc/85/81/10/543858110.db2.gz DTCOQFMHFPHCRR-CABCVRRESA-N 0 3 289.423 3.081 50 0 CGAAHN CC(C)[C@@H](CN[C@@H]1CCCn2ccnc21)Nc1ccccc1 ZINC000655711979 419073480 /nfs/dbraw/zinc/07/34/80/419073480.db2.gz KVFBSYQUUQQHDJ-IAGOWNOFSA-N 0 3 298.434 3.444 50 0 CGAAHN O[C@H]1CCC[C@@H](CNCc2cccc(OC3CC3)c2F)C1 ZINC000657373800 419263642 /nfs/dbraw/zinc/26/36/42/419263642.db2.gz CERDTKQDCQFLGQ-OCCSQVGLSA-N 0 3 293.382 3.008 50 0 CGAAHN C[C@H](CN1CCCCC1)OC(=O)c1ccc(Cl)cc1 ZINC000000375601 274485094 /nfs/dbraw/zinc/48/50/94/274485094.db2.gz KFNAROPLJSUYSK-GFCCVEGCSA-N 0 3 281.783 3.371 50 0 CGAAHN CC[C@H](NC1CCCCCC1)c1ncnn1CC ZINC000534574489 328309439 /nfs/dbraw/zinc/30/94/39/328309439.db2.gz JFBAMLVLVASMIJ-ZDUSSCGKSA-N 0 3 250.390 3.062 50 0 CGAAHN Cc1nc2n(n1)CCC[C@H]2NC[C@H]1C(C)=CCC[C@@H]1C ZINC000195568509 336056485 /nfs/dbraw/zinc/05/64/85/336056485.db2.gz MEKGLWAGQJWWNX-AEGPPILISA-N 0 3 274.412 3.003 50 0 CGAAHN Cc1nc(SCCCN2CCCCC2)oc1C ZINC000195576190 336056778 /nfs/dbraw/zinc/05/67/78/336056778.db2.gz IPBRGHDSMGRJIN-UHFFFAOYSA-N 0 3 254.399 3.260 50 0 CGAAHN COCCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000012383712 523376032 /nfs/dbraw/zinc/37/60/32/523376032.db2.gz 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COc1ccc(CCN[C@H](C)c2nccs2)cc1OC ZINC000086507614 179303950 /nfs/dbraw/zinc/30/39/50/179303950.db2.gz BIUSPDYTUJJSKD-LLVKDONJSA-N 0 3 292.404 3.054 50 0 CGAAHN CN(C)CCOc1ccccc1Cc1ccccc1 ZINC000000001931 368269436 /nfs/dbraw/zinc/26/94/36/368269436.db2.gz IZRPKIZLIFYYKR-UHFFFAOYSA-N 0 3 255.361 3.218 50 0 fda CGAAHN N=C1c2ccccc2CN1CC(=O)c1ccc(Cl)cc1 ZINC000000193567 368313146 /nfs/dbraw/zinc/31/31/46/368313146.db2.gz NNOFMCUKNXPQSG-UHFFFAOYSA-N 0 3 284.746 3.364 50 0 CGAAHN CCN(CC)C(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000000299301 368336351 /nfs/dbraw/zinc/33/63/51/368336351.db2.gz NOAWVJNTIMVTPT-UHFFFAOYSA-N 0 3 288.435 3.075 50 0 CGAAHN CC[C@H](NCc1cccnc1)c1ccc(OC)c(OC)c1 ZINC000000549306 368386843 /nfs/dbraw/zinc/38/68/43/368386843.db2.gz CHEYOVHGAFSPII-HNNXBMFYSA-N 0 3 286.375 3.340 50 0 CGAAHN CC(C)C[C@@H](N)P(=O)(OC(C)C)OC(C)C ZINC000001871481 368439936 /nfs/dbraw/zinc/43/99/36/368439936.db2.gz ROBZAJLOHJJLGY-NSHDSACASA-N 0 3 251.307 3.360 50 0 CGAAHN CCOc1ccccc1CNCCc1ccc2c(c1)OCO2 ZINC000002388691 368453565 /nfs/dbraw/zinc/45/35/65/368453565.db2.gz RAKCBZUMAAKLNL-UHFFFAOYSA-N 0 3 299.370 3.146 50 0 CGAAHN CC1=C[C@H](C)[C@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000004094072 368530146 /nfs/dbraw/zinc/53/01/46/368530146.db2.gz RJXDBTDFBZRPHG-KFGODFMUSA-N 0 3 293.451 3.452 50 0 CGAAHN c1cc(-c2ccccc2)oc1CNC[C@@H]1CCCO1 ZINC000004512841 368548582 /nfs/dbraw/zinc/54/85/82/368548582.db2.gz XYNZZYITZSKDFE-AWEZNQCLSA-N 0 3 257.333 3.215 50 0 CGAAHN CN(C)C[C@@](C)(Oc1ccccc1)C(=O)c1ccccc1 ZINC000006031972 368566477 /nfs/dbraw/zinc/56/64/77/368566477.db2.gz CVYKYMGNMPBBKM-GOSISDBHSA-N 0 3 283.371 3.269 50 0 CGAAHN CC(C)(C)c1ccc(C(=O)NCCN2CCCCC2)cc1 ZINC000016580225 368716502 /nfs/dbraw/zinc/71/65/02/368716502.db2.gz WBZPUHUXRUXVHP-UHFFFAOYSA-N 0 3 288.435 3.200 50 0 CGAAHN Fc1ccc(CN[C@@H]2COc3ccccc3C2)c(F)c1 ZINC000014977448 368686907 /nfs/dbraw/zinc/68/69/07/368686907.db2.gz TWLWOGOGJBRMCX-AWEZNQCLSA-N 0 3 275.298 3.058 50 0 CGAAHN c1ccc(CCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC000019633439 368758651 /nfs/dbraw/zinc/75/86/51/368758651.db2.gz VQEIGNPANOHOSZ-UHFFFAOYSA-N 0 3 294.442 3.437 50 0 CGAAHN Brc1ccccc1CNC1CCCC1 ZINC000019883676 368775710 /nfs/dbraw/zinc/77/57/10/368775710.db2.gz SZBAQHFCXWORMN-UHFFFAOYSA-N 0 3 254.171 3.481 50 0 CGAAHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccc2Cl)C1 ZINC000125873783 370941364 /nfs/dbraw/zinc/94/13/64/370941364.db2.gz YSEJYDXQPIVVOE-VXGBXAGGSA-N 0 3 280.799 3.002 50 0 CGAAHN Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12 ZINC000019804642 368767149 /nfs/dbraw/zinc/76/71/49/368767149.db2.gz ZCKNVVFRDNVGHS-UHFFFAOYSA-N 0 3 290.366 3.499 50 0 CGAAHN OC1CCC(NCc2ccc(-c3ccccc3F)o2)CC1 ZINC000032739820 368942722 /nfs/dbraw/zinc/94/27/22/368942722.db2.gz QWEOWGJVQOWCIL-UHFFFAOYSA-N 0 3 289.350 3.479 50 0 CGAAHN COC(=O)c1ccc(CN2CCC[C@@H]2c2cccn2C)cc1 ZINC000032797318 368946040 /nfs/dbraw/zinc/94/60/40/368946040.db2.gz WBSNYTXTHVXBLZ-QGZVFWFLSA-N 0 3 298.386 3.149 50 0 CGAAHN O=C(C[C@@H]1C=CCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000032911486 368952401 /nfs/dbraw/zinc/95/24/01/368952401.db2.gz LMRFKEOEDQVXBQ-AEFFLSMTSA-N 0 3 298.430 3.124 50 0 CGAAHN Cc1[nH]c2ccc(F)cc2c1CCNCc1ccccn1 ZINC000036657785 369024619 /nfs/dbraw/zinc/02/46/19/369024619.db2.gz PLAWQUGULXWTFH-UHFFFAOYSA-N 0 3 283.350 3.343 50 0 CGAAHN CC(C)=CCN(CCCn1ccnc1)Cc1ccncc1 ZINC000055358790 369515130 /nfs/dbraw/zinc/51/51/30/369515130.db2.gz NFTRCXUCXCXOJQ-UHFFFAOYSA-N 0 3 284.407 3.137 50 0 CGAAHN COc1cccc(C)c1NC(=O)c1cccc(CN(C)C)c1 ZINC000065432247 369675581 /nfs/dbraw/zinc/67/55/81/369675581.db2.gz SWPUAURKAKJNCN-UHFFFAOYSA-N 0 3 298.386 3.318 50 0 CGAAHN COc1cccc(C[C@H](C)NCc2csc(C)n2)c1 ZINC000065505008 369680680 /nfs/dbraw/zinc/68/06/80/369680680.db2.gz KWYBFVGSFGVREK-NSHDSACASA-N 0 3 276.405 3.181 50 0 CGAAHN c1cnn(CCC2CCN(Cc3ccsc3)CC2)c1 ZINC000065535868 369682503 /nfs/dbraw/zinc/68/25/03/369682503.db2.gz JIKHIAJYXCPXSD-UHFFFAOYSA-N 0 3 275.421 3.247 50 0 CGAAHN NC(=O)c1ccc(CNC2(c3ccc(F)cc3)CCC2)cc1 ZINC000069519028 369763751 /nfs/dbraw/zinc/76/37/51/369763751.db2.gz SFOOUBUVWPKTIG-UHFFFAOYSA-N 0 3 298.361 3.094 50 0 CGAAHN Cc1ccsc1CN(C)CCc1scnc1C ZINC000072428804 369819627 /nfs/dbraw/zinc/81/96/27/369819627.db2.gz MBQGIFHHZCJWHG-UHFFFAOYSA-N 0 3 266.435 3.496 50 0 CGAAHN c1ccc(CN(C[C@H]2CCCO2)C2CCCC2)nc1 ZINC000075572905 369913870 /nfs/dbraw/zinc/91/38/70/369913870.db2.gz GNYOAVYVXYRSBZ-MRXNPFEDSA-N 0 3 260.381 3.005 50 0 CGAAHN O[C@H](C[C@@H]1CCCN1Cc1cccnc1)c1ccccc1 ZINC000076074937 369928295 /nfs/dbraw/zinc/92/82/95/369928295.db2.gz HYZIEAALPLEDQV-ZWKOTPCHSA-N 0 3 282.387 3.170 50 0 CGAAHN NC1(C(=O)NC(c2ccccc2)c2ccccc2)CCCC1 ZINC000084847450 370016550 /nfs/dbraw/zinc/01/65/50/370016550.db2.gz FXQKMNIGLIWUBU-UHFFFAOYSA-N 0 3 294.398 3.164 50 0 CGAAHN CC(C)c1nsc(NC2C[C@H]3CCC[C@@H](C2)N3C)n1 ZINC000088164921 370030769 /nfs/dbraw/zinc/03/07/69/370030769.db2.gz OQBNJUIBMYYFNZ-YOGCLGLASA-N 0 3 280.441 3.089 50 0 CGAAHN C[C@H](NCc1ccc([S@@](C)=O)cc1)c1ccsc1 ZINC000090221529 370059073 /nfs/dbraw/zinc/05/90/73/370059073.db2.gz IKFRDASQWWKOIV-VOJFVSQTSA-N 0 3 279.430 3.336 50 0 CGAAHN C[C@H](NCCN(C)c1ccccc1)c1cncc(F)c1 ZINC000089904608 370050779 /nfs/dbraw/zinc/05/07/79/370050779.db2.gz VIKDJFQCHXJPOR-ZDUSSCGKSA-N 0 3 273.355 3.008 50 0 CGAAHN CCCN1CCC[C@H]1C(=O)Nc1cccc(-c2ncco2)c1 ZINC000089959044 370051613 /nfs/dbraw/zinc/05/16/13/370051613.db2.gz XFENTWABLFPJPT-HNNXBMFYSA-N 0 3 299.374 3.155 50 0 CGAAHN c1cc(CN[C@@H]2CCO[C@H]2c2ccccc2)cs1 ZINC000096447516 370211869 /nfs/dbraw/zinc/21/18/69/370211869.db2.gz CEMPNKUGXBIHIH-CABCVRRESA-N 0 3 259.374 3.368 50 0 CGAAHN CC(C)c1cccc(CN(C)CCc2ccncc2)n1 ZINC000097051077 370221119 /nfs/dbraw/zinc/22/11/19/370221119.db2.gz XVSJDOWHTAZDSG-UHFFFAOYSA-N 0 3 269.392 3.275 50 0 CGAAHN COc1ccc([C@H](C)CN(C)Cc2cccnc2)cc1 ZINC000097236894 370236933 /nfs/dbraw/zinc/23/69/33/370236933.db2.gz DYAZZZHATIACMU-CQSZACIVSA-N 0 3 270.376 3.326 50 0 CGAAHN CC(C)[C@H]1CN(C)CCN1Cc1ccc2cc(O)ccc2c1 ZINC000097475622 370243573 /nfs/dbraw/zinc/24/35/73/370243573.db2.gz DYXYCNAHRNMNDI-LJQANCHMSA-N 0 3 298.430 3.317 50 0 CGAAHN Cc1ncc(CN2CCC[C@H](c3ccccc3)C2)n1C ZINC000097602160 370248571 /nfs/dbraw/zinc/24/85/71/370248571.db2.gz MHXQYAXOQHVZRB-INIZCTEOSA-N 0 3 269.392 3.108 50 0 CGAAHN C[C@H](CO)N[C@@H]1C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000095420762 370188078 /nfs/dbraw/zinc/18/80/78/370188078.db2.gz NOFKTQNGMCQLSG-QBIMZIAESA-N 0 3 283.371 3.222 50 0 CGAAHN Cc1ccc(F)c(CN[C@@H](C)C[C@H](O)c2ccco2)c1 ZINC000095448853 370195438 /nfs/dbraw/zinc/19/54/38/370195438.db2.gz SYKYAWUUHKUQBM-WFASDCNBSA-N 0 3 277.339 3.329 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)o1 ZINC000095448885 370195743 /nfs/dbraw/zinc/19/57/43/370195743.db2.gz XVJPKOXYAVBDCG-ZBEGNZNMSA-N 0 3 277.339 3.329 50 0 CGAAHN Cc1csc([C@@H]2CCCN(CCc3ccccn3)C2)n1 ZINC000102949847 370315857 /nfs/dbraw/zinc/31/58/57/370315857.db2.gz PWNZBMIMOBSIMV-CQSZACIVSA-N 0 3 287.432 3.269 50 0 CGAAHN C[C@H](c1ccc(-c2cc(=O)[n-]cn2)cc1)[NH+]1CCCC1 ZINC000426623348 372166581 /nfs/dbraw/zinc/16/65/81/372166581.db2.gz RLQOBPZAEPWDQM-GFCCVEGCSA-N 0 3 269.348 3.006 50 0 CGAAHN CN(C)c1cccc([C@H]2CCCN2CCOCC(F)F)c1 ZINC000170605208 372641378 /nfs/dbraw/zinc/64/13/78/372641378.db2.gz RCOFLORSMNOGLL-OAHLLOKOSA-N 0 3 298.377 3.171 50 0 CGAAHN Fc1cc(Cl)ccc1CN[C@@H]1CCCOCC1 ZINC000187577098 375046095 /nfs/dbraw/zinc/04/60/95/375046095.db2.gz VVNRYTUWTGWSCD-GFCCVEGCSA-N 0 3 257.736 3.138 50 0 CGAAHN Cc1c(-c2cc(CN[C@@H]3CCCC3(C)C)on2)cnn1C ZINC000191859689 375669576 /nfs/dbraw/zinc/66/95/76/375669576.db2.gz ZKFWTSFIJXCDJP-OAHLLOKOSA-N 0 3 288.395 3.052 50 0 CGAAHN O[C@]1(CNC2c3ccccc3-c3ccccc32)CCSC1 ZINC000195555513 376112427 /nfs/dbraw/zinc/11/24/27/376112427.db2.gz AGBBXWDTECYODT-SFHVURJKSA-N 0 3 297.423 3.214 50 0 CGAAHN Cc1ncc(-c2ccc([C@@H](C)N(C)C)cc2)nc1C ZINC000215315068 376147608 /nfs/dbraw/zinc/14/76/08/376147608.db2.gz CRYGAYYMUJHIAZ-CYBMUJFWSA-N 0 3 255.365 3.383 50 0 CGAAHN COc1c(F)cccc1CN1CCC2(CCOCC2)CC1 ZINC000216165880 376158249 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Cc1ccc(C)c(OC[C@H](O)CN[C@@H](C)c2ccccc2)c1 ZINC000002686909 368472968 /nfs/dbraw/zinc/47/29/68/368472968.db2.gz CUDWOFARGHVODJ-FUHWJXTLSA-N 0 3 299.414 3.394 50 0 CGAAHN Cc1ccc(C(=O)O[C@@H](C)CN2CCCCC2)cc1 ZINC000004552914 368551024 /nfs/dbraw/zinc/55/10/24/368551024.db2.gz ZEFKAOCINHDRSC-AWEZNQCLSA-N 0 3 261.365 3.026 50 0 CGAAHN CCOc1c(CNC[C@@H]2CCCO2)cc(Cl)cc1OC ZINC000010474430 368581982 /nfs/dbraw/zinc/58/19/82/368581982.db2.gz DIQFSTTUSXLNCE-ZDUSSCGKSA-N 0 3 299.798 3.016 50 0 CGAAHN CC(C)(C)CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000012381427 368610742 /nfs/dbraw/zinc/61/07/42/368610742.db2.gz ZSGRHQGIIFHIJM-UHFFFAOYSA-N 0 3 288.435 3.203 50 0 CGAAHN CCCC[C@H](CC)[C@@H]1OC[C@@H](CN2CCCC2)O1 ZINC000013153790 368644750 /nfs/dbraw/zinc/64/47/50/368644750.db2.gz YGCPCVLTZNXDDJ-RRFJBIMHSA-N 0 3 255.402 3.040 50 0 CGAAHN Cc1scc(C(=O)NCCN(C)C)c1-c1ccccc1 ZINC000016602950 368715822 /nfs/dbraw/zinc/71/58/22/368715822.db2.gz TZYGCPYBUGXMEA-UHFFFAOYSA-N 0 3 288.416 3.015 50 0 CGAAHN COc1cccc(C(=O)[C@@H]2CCCN(C3CCC3)C2)c1 ZINC000014967198 368687596 /nfs/dbraw/zinc/68/75/96/368687596.db2.gz PHYMOCXBGILPDH-CQSZACIVSA-N 0 3 273.376 3.142 50 0 CGAAHN C[C@@H](NCc1cnn(C)c1)c1cccc2ccccc21 ZINC000017316345 368730996 /nfs/dbraw/zinc/73/09/96/368730996.db2.gz XCVJIXXDXCFBNJ-CYBMUJFWSA-N 0 3 265.360 3.424 50 0 CGAAHN COc1ccc(CCNCc2ccccc2F)cc1 ZINC000019721052 368761574 /nfs/dbraw/zinc/76/15/74/368761574.db2.gz FNZDGGULSZWIDM-UHFFFAOYSA-N 0 3 259.324 3.167 50 0 CGAAHN CC[C@@H](C)N1CCN(Cc2ccccc2Cl)CC1 ZINC000019831773 368768790 /nfs/dbraw/zinc/76/87/90/368768790.db2.gz XJPHSHBYRHYGFQ-CYBMUJFWSA-N 0 3 266.816 3.256 50 0 CGAAHN CC[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000019367331 368749436 /nfs/dbraw/zinc/74/94/36/368749436.db2.gz RACYVLBFNZFEKP-CYBMUJFWSA-N 0 3 266.816 3.256 50 0 CGAAHN CC[C@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000020102914 368801798 /nfs/dbraw/zinc/80/17/98/368801798.db2.gz XRVOPRVTJLJEMR-HNNXBMFYSA-N 0 3 288.435 3.122 50 0 CGAAHN CC[C@H](C)c1ccccc1OCCCN1CCN(C)CC1 ZINC000020118718 368804098 /nfs/dbraw/zinc/80/40/98/368804098.db2.gz YMUJKVDHPFDDKT-INIZCTEOSA-N 0 3 290.451 3.216 50 0 CGAAHN CCN(CC)[C@H](CNCc1ccc(C)o1)c1ccco1 ZINC000032547725 368935353 /nfs/dbraw/zinc/93/53/53/368935353.db2.gz OHCHPUDYFQQEBL-OAHLLOKOSA-N 0 3 276.380 3.354 50 0 CGAAHN c1ccc(NC2CCN(c3ccncc3)CC2)cc1 ZINC000036961183 369043273 /nfs/dbraw/zinc/04/32/73/369043273.db2.gz SLDOUVWYXSDFHA-UHFFFAOYSA-N 0 3 253.349 3.163 50 0 CGAAHN Cc1ccccc1CN1CCCN(c2nccs2)CC1 ZINC000042104261 369200355 /nfs/dbraw/zinc/20/03/55/369200355.db2.gz PNXGUXSUQUCPQE-UHFFFAOYSA-N 0 3 287.432 3.164 50 0 CGAAHN CCOc1cccc(CN(CCO)CCc2ccccc2)c1 ZINC000055036731 369509554 /nfs/dbraw/zinc/50/95/54/369509554.db2.gz RWNJIJUZMDDNSO-UHFFFAOYSA-N 0 3 299.414 3.122 50 0 CGAAHN O=C1NCCCC[C@@H]1NCc1cccc(-c2ccccc2)c1 ZINC000054174493 369496891 /nfs/dbraw/zinc/49/68/91/369496891.db2.gz SNJITMBCTUIDRS-SFHVURJKSA-N 0 3 294.398 3.112 50 0 CGAAHN CC(C)Oc1ccc(CNCCOc2ccccn2)cc1 ZINC000057353366 369536055 /nfs/dbraw/zinc/53/60/55/369536055.db2.gz FAYMYBGJPMPDEX-UHFFFAOYSA-N 0 3 286.375 3.037 50 0 CGAAHN C[C@@H](NC1Cc2ccccc2C1)c1cn2ccsc2n1 ZINC000065372147 369669252 /nfs/dbraw/zinc/66/92/52/369669252.db2.gz LJZNOWSHUTVYEC-LLVKDONJSA-N 0 3 283.400 3.214 50 0 CGAAHN Cc1nn(C)c(C)c1CN(CC1CCCC1)C1CC1 ZINC000065387892 369672329 /nfs/dbraw/zinc/67/23/29/369672329.db2.gz RZFBCLBERAKPBI-UHFFFAOYSA-N 0 3 261.413 3.192 50 0 CGAAHN C[C@@H](N[C@H]1CCc2ncnn2C1)c1ccc2ccccc2c1 ZINC000069534845 369763550 /nfs/dbraw/zinc/76/35/50/369763550.db2.gz JYWGIVJNOTYUES-DYVFJYSZSA-N 0 3 292.386 3.097 50 0 CGAAHN C[C@H](NCc1ccc([S@](C)=O)cc1)c1ccsc1 ZINC000090221527 370058925 /nfs/dbraw/zinc/05/89/25/370058925.db2.gz IKFRDASQWWKOIV-BBATYDOGSA-N 0 3 279.430 3.336 50 0 CGAAHN CN(Cc1cccn1C)Cc1cccc2[nH]ccc21 ZINC000093584900 370143116 /nfs/dbraw/zinc/14/31/16/370143116.db2.gz HGIRHNMRGLQDJU-UHFFFAOYSA-N 0 3 253.349 3.138 50 0 CGAAHN CCOc1ccc(CN2CCC(c3ccncn3)CC2)cc1 ZINC000097475454 370244199 /nfs/dbraw/zinc/24/41/99/370244199.db2.gz YSUZBUUHSQGDDE-UHFFFAOYSA-N 0 3 297.402 3.255 50 0 CGAAHN C[C@@H](NC[C@](C)(O)c1ccsc1)c1ccccc1F ZINC000095423035 370189824 /nfs/dbraw/zinc/18/98/24/370189824.db2.gz GMSVGVDCHZKWLR-ABAIWWIYSA-N 0 3 279.380 3.446 50 0 CGAAHN CC(C)NC(=O)[C@@H]1CCC[C@@H](N[C@@H](C)c2ccco2)C1 ZINC000095422578 370190314 /nfs/dbraw/zinc/19/03/14/370190314.db2.gz NTZRUHQFHQAWEP-BFHYXJOUSA-N 0 3 278.396 3.014 50 0 CGAAHN CC(C)Nc1cc(-c2ccc(CN(C)C)cc2)ncn1 ZINC000097716820 370251447 /nfs/dbraw/zinc/25/14/47/370251447.db2.gz XOVYIEIIUAZNAU-UHFFFAOYSA-N 0 3 270.380 3.026 50 0 CGAAHN C[C@@H]1C[C@H](CC(=O)NC[C@@H]2CCCN2C)CC(C)(C)C1 ZINC000170620677 372643874 /nfs/dbraw/zinc/64/38/74/372643874.db2.gz VXPJDAQYDUQLPP-KFWWJZLASA-N 0 3 280.456 3.049 50 0 CGAAHN CN(Cc1cccnc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177052661 373650807 /nfs/dbraw/zinc/65/08/07/373650807.db2.gz GNSBCCLZHHUWMW-GOSISDBHSA-N 0 3 281.403 3.182 50 0 CGAAHN CO[C@H]1CCN(Cc2cccc(-c3ccc(C)o3)c2)C1 ZINC000215524807 376149030 /nfs/dbraw/zinc/14/90/30/376149030.db2.gz ZXLUZXMBKARDTC-INIZCTEOSA-N 0 3 271.360 3.476 50 0 CGAAHN COc1ccc(/C=C/CN2CCC[C@H](CCCO)C2)cc1 ZINC000215646107 376150885 /nfs/dbraw/zinc/15/08/85/376150885.db2.gz MFHFVLIQAIWEIX-WAUBUAMCSA-N 0 3 289.419 3.193 50 0 CGAAHN CCCO[C@H]1CCCN(CCCc2ccco2)C1 ZINC000244691005 376793006 /nfs/dbraw/zinc/79/30/06/376793006.db2.gz JAVHMOMVBKPNBG-HNNXBMFYSA-N 0 3 251.370 3.103 50 0 CGAAHN CSCC1CCN(CCOc2ccccc2)CC1 ZINC000252478225 377624984 /nfs/dbraw/zinc/62/49/84/377624984.db2.gz AFTYMQZPLCALAW-UHFFFAOYSA-N 0 3 265.422 3.140 50 0 CGAAHN Cc1cnc(C2CC2)n1[C@H]1CCCN(Cc2cccn2C)C1 ZINC000575547306 377917466 /nfs/dbraw/zinc/91/74/66/377917466.db2.gz ZCEJAEPVNADWNC-KRWDZBQOSA-N 0 3 298.434 3.245 50 0 CGAAHN OCCN(Cc1cccs1)Cc1ccnc2ccccc12 ZINC000065528733 392148417 /nfs/dbraw/zinc/14/84/17/392148417.db2.gz XUGGLCHHDZZYSQ-UHFFFAOYSA-N 0 3 298.411 3.291 50 0 CGAAHN C[C@H](O)[C@@H]1CCCCN1C/C=C\c1ccc(F)cc1 ZINC000221701660 393007842 /nfs/dbraw/zinc/00/78/42/393007842.db2.gz QEWJAAFRQLWWKR-SCVPAZLYSA-N 0 3 263.356 3.074 50 0 CGAAHN c1ccc2c(c1)[nH]c1c2CCN[C@H]1c1ccc2c(c1)OCO2 ZINC000019301128 285524483 /nfs/dbraw/zinc/52/44/83/285524483.db2.gz ZLAJKSCIINOCQJ-KRWDZBQOSA-N 0 3 292.338 3.132 50 0 biogenic CGAAHN CCn1nc(C)c2ccc3c4c(cc(C=O)c1c42)CC3 ZINC000670417814 543153810 /nfs/dbraw/zinc/15/38/10/543153810.db2.gz JEHFHGWHSRFNDA-UHFFFAOYSA-N 0 3 264.328 3.429 50 0 CGAAHN Cc1cccc([C@@H]2CCCN(Cc3cnc(C)cn3)C2)c1 ZINC000670462521 543156332 /nfs/dbraw/zinc/15/63/32/543156332.db2.gz ZZEJHAXZNDBVDZ-QGZVFWFLSA-N 0 3 281.403 3.473 50 0 CGAAHN CN(Cc1cc2cc(F)ccc2[nH]1)[C@@H]1CCSC1 ZINC000670454845 543155411 /nfs/dbraw/zinc/15/54/11/543155411.db2.gz YCKIDURHAATSEH-CYBMUJFWSA-N 0 3 264.369 3.244 50 0 CGAAHN C=Cc1cccc(CN(C)CCC2(O)CCCC2)c1 ZINC000670472057 543156669 /nfs/dbraw/zinc/15/66/69/543156669.db2.gz MUACGEXTBLUCNL-UHFFFAOYSA-N 0 3 259.393 3.457 50 0 CGAAHN CCN(CCC(=O)Nc1ccc(F)cc1)Cc1ccco1 ZINC000047934434 397636102 /nfs/dbraw/zinc/63/61/02/397636102.db2.gz QYRLVVRTAAUITG-UHFFFAOYSA-N 0 3 290.338 3.269 50 0 CGAAHN COc1cccc(CNCc2cc(OC)cc(OC)c2)c1 ZINC000004891745 170036943 /nfs/dbraw/zinc/03/69/43/170036943.db2.gz UCQDMDJIYCLWPH-UHFFFAOYSA-N 0 3 287.359 3.002 50 0 CGAAHN C[C@H](O)CNCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000004942966 170043591 /nfs/dbraw/zinc/04/35/91/170043591.db2.gz JGIOORNBPKXPNW-VIFPVBQESA-N 0 3 283.730 3.210 50 0 CGAAHN CCOc1ccccc1OCCN1CCCCCC1 ZINC000004978693 170047904 /nfs/dbraw/zinc/04/79/04/170047904.db2.gz IKZFKGNQDHLGGD-UHFFFAOYSA-N 0 3 263.381 3.340 50 0 CGAAHN CCOc1cccc(CNCc2ccc3c(c2)OCO3)c1 ZINC000005019182 170056651 /nfs/dbraw/zinc/05/66/51/170056651.db2.gz UOIUBDZSJHUZRM-UHFFFAOYSA-N 0 3 285.343 3.104 50 0 CGAAHN Cc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C)c1 ZINC000005968043 170164384 /nfs/dbraw/zinc/16/43/84/170164384.db2.gz PRYBYAYBIFXKDM-AEFFLSMTSA-N 0 3 299.414 3.394 50 0 CGAAHN C[C@@H](NC(=O)CN(C)C1CCCCC1)c1ccccc1 ZINC000006587430 170216848 /nfs/dbraw/zinc/21/68/48/170216848.db2.gz JTEZTGWSTKDUGH-CQSZACIVSA-N 0 3 274.408 3.128 50 0 CGAAHN Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN(C)C ZINC000008804257 170356552 /nfs/dbraw/zinc/35/65/52/170356552.db2.gz PPXAADQGSVUXSP-UHFFFAOYSA-N 0 3 264.756 3.272 50 0 CGAAHN CCN1CCN(CCCOc2ccc(C)cc2Cl)CC1 ZINC000020389754 171178805 /nfs/dbraw/zinc/17/88/05/171178805.db2.gz FVTHRAFQPWJZMD-UHFFFAOYSA-N 0 3 296.842 3.055 50 0 CGAAHN C[C@@H](NCc1ccc(F)cc1)[C@H](O)c1ccccc1 ZINC000020419053 171183725 /nfs/dbraw/zinc/18/37/25/171183725.db2.gz CEIMNJLAYFXAQO-WBMJQRKESA-N 0 3 259.324 3.037 50 0 CGAAHN CCCCN(C)CCNc1[nH]c(=S)nc2ccccc21 ZINC000020645995 171269007 /nfs/dbraw/zinc/26/90/07/171269007.db2.gz HBXUKYHDSBPWIY-UHFFFAOYSA-N 0 3 290.436 3.436 50 0 CGAAHN C[C@H](CO)N[C@H](C)c1cc2cc(Br)ccc2o1 ZINC000035602795 172291131 /nfs/dbraw/zinc/29/11/31/172291131.db2.gz ZYLVNUQSDBHOQB-RKDXNWHRSA-N 0 3 298.180 3.227 50 0 CGAAHN CCn1c(CN[C@H](C)Cc2ccco2)nc2ccccc21 ZINC000038046813 174056127 /nfs/dbraw/zinc/05/61/27/174056127.db2.gz DTGCQHCEGUIHGC-CYBMUJFWSA-N 0 3 283.375 3.370 50 0 CGAAHN CS[C@@H](C)CCN1CCN(Cc2cccc(F)c2)CC1 ZINC000072133847 176321596 /nfs/dbraw/zinc/32/15/96/176321596.db2.gz GKXUXOVOQLYNSB-AWEZNQCLSA-N 0 3 296.455 3.085 50 0 CGAAHN Cc1cccc(CN2CCC([C@@H](O)CC(C)C)CC2)n1 ZINC000077453851 177270348 /nfs/dbraw/zinc/27/03/48/177270348.db2.gz RZXARYCEPJJREB-KRWDZBQOSA-N 0 3 276.424 3.009 50 0 CGAAHN CN[C@@H](CO)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248236 270197449 /nfs/dbraw/zinc/19/74/49/270197449.db2.gz JWEHDSXUALCIAY-SFHVURJKSA-N 0 3 283.371 3.148 50 0 CGAAHN Brc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1 ZINC000000210080 275372625 /nfs/dbraw/zinc/37/26/25/275372625.db2.gz IUGGYBLSCOVAQM-LBPRGKRZSA-N 0 3 291.192 3.384 50 0 biogenic CGAAHN CC(C)(C)[S@@](=O)CCN[C@H]1CCCc2sccc21 ZINC000095968121 275844935 /nfs/dbraw/zinc/84/49/35/275844935.db2.gz UHISFXISRDLQGB-KPZWWZAWSA-N 0 3 285.478 3.262 50 0 CGAAHN CC[N@H+](CC1CCOCC1)[C@H](C)c1cccc([O-])c1 ZINC000080932221 279171681 /nfs/dbraw/zinc/17/16/81/279171681.db2.gz ZCSGTTHJRTYDEJ-CYBMUJFWSA-N 0 3 263.381 3.202 50 0 CGAAHN CC[N@@H+](CC1CCOCC1)[C@H](C)c1cccc([O-])c1 ZINC000080932221 279171682 /nfs/dbraw/zinc/17/16/82/279171682.db2.gz ZCSGTTHJRTYDEJ-CYBMUJFWSA-N 0 3 263.381 3.202 50 0 CGAAHN O[C@]12CCCC[C@H]1[C@@H](c1ccc(Cl)cc1)NCC2 ZINC000006829132 280450418 /nfs/dbraw/zinc/45/04/18/280450418.db2.gz KUYBDOWEEWZIMG-ZNMIVQPWSA-N 0 3 265.784 3.296 50 0 CGAAHN Cc1n[nH]c(C)c1CN[C@@H]1CCCc2ccccc21 ZINC000036864705 281770192 /nfs/dbraw/zinc/77/01/92/281770192.db2.gz MEGIAAGSKOWZHH-MRXNPFEDSA-N 0 3 255.365 3.194 50 0 CGAAHN Cc1cc(C)cc(NC(=O)N[C@@H](C)CN2CCCCC2)c1 ZINC000006008610 301226367 /nfs/dbraw/zinc/22/63/67/301226367.db2.gz KALUKGNJMIIXIT-HNNXBMFYSA-N 0 3 289.423 3.299 50 0 CGAAHN Cc1cccc2c1[C@H](C)C[C@H]2N[C@@H]1C=C[C@H](CO)C1 ZINC000195558591 336056079 /nfs/dbraw/zinc/05/60/79/336056079.db2.gz PCOHFNDJPIMCGN-HLPPOEQASA-N 0 3 257.377 3.070 50 0 CGAAHN Cc1ccc(-c2n[nH]cc2CNCc2cccs2)o1 ZINC000035255555 525794213 /nfs/dbraw/zinc/79/42/13/525794213.db2.gz UHIBWZOBPNDNFE-UHFFFAOYSA-N 0 3 273.361 3.329 50 0 CGAAHN CCS[C@@H]1CCC[C@H]1NCc1nc(C)cs1 ZINC000252501893 567930299 /nfs/dbraw/zinc/93/02/99/567930299.db2.gz UKNJYLILQHCCMR-GHMZBOCLSA-N 0 3 256.440 3.215 50 0 CGAAHN Cc1cnn(C[C@@H](C)N[C@@H](C)c2ccc(C(F)F)nc2)c1 ZINC000888101217 619260848 /nfs/dbraw/zinc/26/08/48/619260848.db2.gz UTRWPNDKDDEURR-NEPJUHHUSA-N 0 3 294.349 3.263 50 0 CGAAHN C[C@H](NC(=O)CN1CCCCCC1)c1cc(F)cc(F)c1 ZINC000952966160 625868313 /nfs/dbraw/zinc/86/83/13/625868313.db2.gz DMJIFFOUOQUZPV-LBPRGKRZSA-N 0 3 296.361 3.018 50 0 CGAAHN CN(CC(=O)Nc1ccc2scnc2c1)C1CCCC1 ZINC000952991484 636776986 /nfs/dbraw/zinc/77/69/86/636776986.db2.gz SLRZWVXJOZFFJO-UHFFFAOYSA-N 0 3 289.404 3.109 50 0 CGAAHN OCc1cccc(CNCc2ccccc2C(F)(F)F)c1 ZINC000222118373 637775421 /nfs/dbraw/zinc/77/54/21/637775421.db2.gz QIWAVRARIFGEOL-UHFFFAOYSA-N 0 3 295.304 3.488 50 0 CGAAHN CCn1nc([C@H]2CCCCN2CC(C)C)c2c1CCOC2 ZINC000675009956 799730750 /nfs/dbraw/zinc/73/07/50/799730750.db2.gz BMBYMQCLPSJFEX-MRXNPFEDSA-N 0 3 291.439 3.159 50 0 CGAAHN CCc1nccn1C[C@H](C)N(C)Cc1ccsc1 ZINC001506416385 937989836 /nfs/dbraw/zinc/98/98/36/937989836.db2.gz ATPVIFNLIQGFTO-LBPRGKRZSA-N 0 3 263.410 3.028 50 0 CGAAHN Cc1ccc(CN[C@@H](C)C[C@H](O)c2ccc(F)cc2)nc1 ZINC000096486357 230381806 /nfs/dbraw/zinc/38/18/06/230381806.db2.gz TUMXEBGZBRJFBG-GUYCJALGSA-N 0 3 288.366 3.131 50 0 CGAAHN C[C@@H](c1ccc(-c2ccc(C(N)=O)s2)cc1)N(C)C ZINC000426712286 230427323 /nfs/dbraw/zinc/42/73/23/230427323.db2.gz YZKDBVHSLHGNBZ-JTQLQIEISA-N 0 3 274.389 3.137 50 0 CGAAHN C[C@@H](NC[C@H](CCO)c1ccccc1)c1ccco1 ZINC000095968324 185046485 /nfs/dbraw/zinc/04/64/85/185046485.db2.gz HXKKLJSLPCJYGV-HIFRSBDPSA-N 0 3 259.349 3.096 50 0 CGAAHN Cc1nccn1CCCN1CCCc2sccc2C1 ZINC000095975858 185051336 /nfs/dbraw/zinc/05/13/36/185051336.db2.gz BMZCZMKAGAVICL-UHFFFAOYSA-N 0 3 275.421 3.092 50 0 CGAAHN C[C@@H](NCC(=O)N1CCC[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC000095995963 185060770 /nfs/dbraw/zinc/06/07/70/185060770.db2.gz CRWLTUUPDJMNGS-BZUAXINKSA-N 0 3 288.435 3.027 50 0 CGAAHN C[C@@H](N[C@@H](C)COc1ccc(F)cc1)c1ccncc1 ZINC000097032667 185156034 /nfs/dbraw/zinc/15/60/34/185156034.db2.gz GPXJGQCQQHVPIO-QWHCGFSZSA-N 0 3 274.339 3.339 50 0 CGAAHN C[C@@H](c1ccccc1)N1CC[C@H](NCc2ccncc2)C1 ZINC000072274484 345407989 /nfs/dbraw/zinc/40/79/89/345407989.db2.gz CYMFWTIYFNNGRB-YJBOKZPZSA-N 0 3 281.403 3.007 50 0 CGAAHN COc1cccc(NC2CCN(Cc3ccncc3)CC2)c1 ZINC000074992222 345490103 /nfs/dbraw/zinc/49/01/03/345490103.db2.gz AAOWJQCGWXDMSM-UHFFFAOYSA-N 0 3 297.402 3.167 50 0 CGAAHN COc1ccc(CN[C@H]2CCO[C@@H]2c2ccccc2)cc1O ZINC000078988905 345627457 /nfs/dbraw/zinc/62/74/57/345627457.db2.gz REFXMWMGXXEMON-MAUKXSAKSA-N 0 3 299.370 3.021 50 0 CGAAHN Cc1nocc1[C@H](C)NC[C@@H](c1ccco1)N1CCCC1 ZINC000585134612 346724197 /nfs/dbraw/zinc/72/41/97/346724197.db2.gz BVZVQLBBEINCOC-WFASDCNBSA-N 0 3 289.379 3.064 50 0 CGAAHN Cc1cnccc1CCNCc1nc2cc(F)ccc2o1 ZINC000585141055 346725349 /nfs/dbraw/zinc/72/53/49/346725349.db2.gz OJXJZDPCDYMMDH-UHFFFAOYSA-N 0 3 285.322 3.003 50 0 CGAAHN O=C(OCc1ccccc1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000090624501 180015073 /nfs/dbraw/zinc/01/50/73/180015073.db2.gz LUEPOWKKYXJBSY-SFHVURJKSA-N 0 3 295.382 3.252 50 0 CGAAHN O[C@H]1CCCN(Cc2ccc(-c3ccccc3)s2)C1 ZINC000179522601 189199476 /nfs/dbraw/zinc/19/94/76/189199476.db2.gz GQNXDFRYOIBXLY-AWEZNQCLSA-N 0 3 273.401 3.372 50 0 CGAAHN O=C(CCN1CC[C@H](c2ccccc2)C1)c1ccco1 ZINC000000177665 368310624 /nfs/dbraw/zinc/31/06/24/368310624.db2.gz HKXAITHKWSZGRG-HNNXBMFYSA-N 0 3 269.344 3.342 50 0 CGAAHN C[C@H]([NH3+])Cc1ccccc1Sc1ccccc1[O-] ZINC000000347793 368346042 /nfs/dbraw/zinc/34/60/42/368346042.db2.gz PHQGPZDJBURYLG-NSHDSACASA-N 0 3 259.374 3.433 50 0 CGAAHN CN(C)CCOCCOc1ccc(Cl)c2ccccc12 ZINC000002824063 368480201 /nfs/dbraw/zinc/48/02/01/368480201.db2.gz FSQNAXGZOIOEFD-UHFFFAOYSA-N 0 3 293.794 3.450 50 0 CGAAHN COc1cc2c(cc1OC)CN([C@H]1CC[C@H](C)C1)CC2 ZINC000005611391 368563247 /nfs/dbraw/zinc/56/32/47/368563247.db2.gz QEQPVXMSEFTRIW-WFASDCNBSA-N 0 3 275.392 3.251 50 0 CGAAHN Fc1ccc(CN2c3ccccc3N3CCCN=C23)cc1 ZINC000004334103 368543587 /nfs/dbraw/zinc/54/35/87/368543587.db2.gz LXOFDRFYSDHQTI-UHFFFAOYSA-N 0 3 281.334 3.412 50 0 CGAAHN Cc1ccccc1C(=O)O[C@@H](C)CN1CCCCC1 ZINC000004552905 368550236 /nfs/dbraw/zinc/55/02/36/368550236.db2.gz YQJJKSJSNOGUJF-AWEZNQCLSA-N 0 3 261.365 3.026 50 0 CGAAHN COc1cccc2c(=O)c(CN3CCCCC3)c(C)[nH]c12 ZINC000008700877 368573764 /nfs/dbraw/zinc/57/37/64/368573764.db2.gz RJAHIXRRMRHBON-UHFFFAOYSA-N 0 3 286.375 3.243 50 0 biogenic CGAAHN OCCNCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000016579049 368716427 /nfs/dbraw/zinc/71/64/27/368716427.db2.gz RSRGPOJBYAWBKA-UHFFFAOYSA-N 0 3 285.265 3.047 50 0 CGAAHN COc1ccccc1OC/C=C/CN1CCC(C)CC1 ZINC000016624130 368718094 /nfs/dbraw/zinc/71/80/94/368718094.db2.gz HFCWBTHOUQLWLB-AATRIKPKSA-N 0 3 275.392 3.362 50 0 CGAAHN CC(=O)Nc1ccc(CNCCOc2ccc(C)cc2)cc1 ZINC000017311987 368731303 /nfs/dbraw/zinc/73/13/03/368731303.db2.gz VBDGNIVGFDPRCX-UHFFFAOYSA-N 0 3 298.386 3.122 50 0 CGAAHN CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019156872 368744248 /nfs/dbraw/zinc/74/42/48/368744248.db2.gz UVKZSORBKUEBAZ-UHFFFAOYSA-N 0 3 266.388 3.023 50 0 fda CGAAHN c1ccc(CCC[C@H]2CN(C3CCC3)CCO2)cc1 ZINC000019299909 368748665 /nfs/dbraw/zinc/74/86/65/368748665.db2.gz AZEVCRCQPVFSTR-KRWDZBQOSA-N 0 3 259.393 3.263 50 0 CGAAHN CCOc1ccc(CN2CCN([C@H](C)CC)CC2)cc1 ZINC000019499938 368755688 /nfs/dbraw/zinc/75/56/88/368755688.db2.gz WFGJOMJMGKTLPT-OAHLLOKOSA-N 0 3 276.424 3.001 50 0 CGAAHN COc1cccc(CNCCc2ccccc2)c1OC ZINC000019568138 368757069 /nfs/dbraw/zinc/75/70/69/368757069.db2.gz YRDXSDXMPHOCBI-UHFFFAOYSA-N 0 3 271.360 3.036 50 0 CGAAHN Cc1[nH]c2ccccc2c1CCNCc1ccco1 ZINC000023650142 368822896 /nfs/dbraw/zinc/82/28/96/368822896.db2.gz KBPMVWSNFFKQGZ-UHFFFAOYSA-N 0 3 254.333 3.402 50 0 CGAAHN CCOCCN[C@@H](C)c1cccc(Br)c1 ZINC000036229057 369014631 /nfs/dbraw/zinc/01/46/31/369014631.db2.gz KGXLFXASDXNSPF-JTQLQIEISA-N 0 3 272.186 3.136 50 0 CGAAHN CCc1ccc(NC(=O)[C@H](C)NCc2ccccc2)cc1 ZINC000057999855 369551926 /nfs/dbraw/zinc/55/19/26/369551926.db2.gz MVIDMPLZGBYBCL-AWEZNQCLSA-N 0 3 282.387 3.366 50 0 CGAAHN COc1ccc(NC(=O)[C@H]2CCCN2CCC(C)C)cc1 ZINC000058162252 369556441 /nfs/dbraw/zinc/55/64/41/369556441.db2.gz AQSOJNGQJYYTIQ-MRXNPFEDSA-N 0 3 290.407 3.144 50 0 CGAAHN COc1ccc(C)cc1CN1CCC(c2ccnn2C)CC1 ZINC000058292614 369561520 /nfs/dbraw/zinc/56/15/20/369561520.db2.gz QWDCYKQJCYOUKT-UHFFFAOYSA-N 0 3 299.418 3.117 50 0 CGAAHN C[C@H](c1ccncc1)N(C)Cc1ccc(-n2cccn2)cc1 ZINC000065371111 369669534 /nfs/dbraw/zinc/66/95/34/369669534.db2.gz WFRCRBBSIJYFTC-OAHLLOKOSA-N 0 3 292.386 3.460 50 0 CGAAHN CCN(Cc1cnn(CC)c1)Cc1cccc2cnccc21 ZINC000063857044 369649294 /nfs/dbraw/zinc/64/92/94/369649294.db2.gz BUJOFJHIDRSWOJ-UHFFFAOYSA-N 0 3 294.402 3.473 50 0 CGAAHN C(=C/c1ccco1)\CN1CCC(CCn2cccn2)CC1 ZINC000065383448 369670698 /nfs/dbraw/zinc/67/06/98/369670698.db2.gz OCHJYLWOZOLAFK-DAFODLJHSA-N 0 3 285.391 3.292 50 0 CGAAHN C[C@H](Cn1ccnc1)NCc1csc2c1CCCC2 ZINC000067472636 369717472 /nfs/dbraw/zinc/71/74/72/369717472.db2.gz LQKDXHHYFXFWKN-GFCCVEGCSA-N 0 3 275.421 3.002 50 0 CGAAHN CC(C)C[C@]1(CO)CCCN(Cc2cccs2)C1 ZINC000065435320 369676250 /nfs/dbraw/zinc/67/62/50/369676250.db2.gz MBDWENRCFBGIJR-OAHLLOKOSA-N 0 3 267.438 3.369 50 0 CGAAHN C[C@@H](Cc1cccc(F)c1)NCc1cn2ccccc2n1 ZINC000065455898 369677417 /nfs/dbraw/zinc/67/74/17/369677417.db2.gz JJZBWPMPNSVXCH-ZDUSSCGKSA-N 0 3 283.350 3.194 50 0 CGAAHN Cc1noc(C)c1CN1CC[C@H](c2cccc(F)c2)C1 ZINC000069383550 369758224 /nfs/dbraw/zinc/75/82/24/369758224.db2.gz MFXJJHRZTYSHMJ-AWEZNQCLSA-N 0 3 274.339 3.420 50 0 CGAAHN CSCc1ccc(CN[C@H](C)[C@H](C)n2cccn2)o1 ZINC000069521573 369763309 /nfs/dbraw/zinc/76/33/09/369763309.db2.gz GEZVVEXILAHPCS-NEPJUHHUSA-N 0 3 279.409 3.078 50 0 CGAAHN COc1ccc(F)cc1CN[C@@H](C)[C@H](C)n1cc(C)cn1 ZINC000069616208 369765134 /nfs/dbraw/zinc/76/51/34/369765134.db2.gz POEPROUTEOXNGF-STQMWFEESA-N 0 3 291.370 3.079 50 0 CGAAHN CC[C@](C)(O)CNCc1cnc(-c2ccccc2)s1 ZINC000069900995 369774597 /nfs/dbraw/zinc/77/45/97/369774597.db2.gz CTASASIWZGUNGO-HNNXBMFYSA-N 0 3 276.405 3.061 50 0 CGAAHN NC(=NNc1ccc(Br)cc1)c1ccccc1 ZINC000073667309 369864283 /nfs/dbraw/zinc/86/42/83/369864283.db2.gz AJGFYFYKOLNVQZ-UHFFFAOYSA-N 0 3 290.164 3.391 50 0 CGAAHN O[C@@H]1CCC12CN(C(c1ccccc1)c1ccccc1)C2 ZINC000074938393 369891457 /nfs/dbraw/zinc/89/14/57/369891457.db2.gz JMBMIGJCORKXEN-QGZVFWFLSA-N 0 3 279.383 3.233 50 0 CGAAHN COc1ccc(C)cc1[C@H](C)NCC1=CCCOC1 ZINC000078998879 369958208 /nfs/dbraw/zinc/95/82/08/369958208.db2.gz AHSGFDSWGWNSKH-ZDUSSCGKSA-N 0 3 261.365 3.001 50 0 CGAAHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1cccs1 ZINC000075572969 369914521 /nfs/dbraw/zinc/91/45/21/369914521.db2.gz WLERMCPYJVORCQ-QEJZJMRPSA-N 0 3 293.432 3.097 50 0 CGAAHN Cc1cn2c(n1)[C@H](CNCc1ccc(Cl)o1)CCC2 ZINC000089702126 370046749 /nfs/dbraw/zinc/04/67/49/370046749.db2.gz QUNJXDJNQZHLNB-NSHDSACASA-N 0 3 279.771 3.105 50 0 CGAAHN CSCc1cc(F)ccc1CNCc1cccn1C ZINC000088751800 370036350 /nfs/dbraw/zinc/03/63/50/370036350.db2.gz VJCMVKNJRRCEFM-UHFFFAOYSA-N 0 3 278.396 3.317 50 0 CGAAHN CSC[C@H]1CCCN1Cc1cnc(C2CC2)s1 ZINC000093761536 370156121 /nfs/dbraw/zinc/15/61/21/370156121.db2.gz WAKWUBHEIWXFML-LLVKDONJSA-N 0 3 268.451 3.348 50 0 CGAAHN COc1ccccc1NC1CCN(Cc2cccn2C)CC1 ZINC000093817255 370161107 /nfs/dbraw/zinc/16/11/07/370161107.db2.gz FGDJURYCDQJNBI-UHFFFAOYSA-N 0 3 299.418 3.110 50 0 CGAAHN CN(Cc1cc(F)cc(C(F)(F)F)c1)C[C@H]1CCOC1 ZINC000093840118 370165589 /nfs/dbraw/zinc/16/55/89/370165589.db2.gz XOZNSNNPSKKIEK-SNVBAGLBSA-N 0 3 291.288 3.313 50 0 CGAAHN CCN(Cc1nc2ccccc2[nH]1)[C@H]1CCOC(C)(C)C1 ZINC000097413181 370242937 /nfs/dbraw/zinc/24/29/37/370242937.db2.gz VYOITGHCAHZBFK-ZDUSSCGKSA-N 0 3 287.407 3.342 50 0 CGAAHN CC(C)CCN(C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000097493239 370243630 /nfs/dbraw/zinc/24/36/30/370243630.db2.gz CVHRTDXJQUCAFZ-HNNXBMFYSA-N 0 3 288.435 3.332 50 0 CGAAHN COC[C@H]1CCCN(Cc2cnc(CC3CCCC3)[nH]2)C1 ZINC000097660341 370249918 /nfs/dbraw/zinc/24/99/18/370249918.db2.gz IFIRYSVJQAOZQX-HNNXBMFYSA-N 0 3 291.439 3.001 50 0 CGAAHN Cc1nc[nH]c1CN1CCC[C@H](c2ccccc2)C1 ZINC000097660461 370249947 /nfs/dbraw/zinc/24/99/47/370249947.db2.gz QPXUMIOLEFEINN-HNNXBMFYSA-N 0 3 255.365 3.098 50 0 CGAAHN C[C@@H](CC1CC1)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000095978012 370203285 /nfs/dbraw/zinc/20/32/85/370203285.db2.gz SARBOGBRIHFCJQ-WFASDCNBSA-N 0 3 290.382 3.099 50 0 CGAAHN C[C@@H](NCC1(c2c(F)cccc2F)CC1)c1cnccn1 ZINC000090965248 541965096 /nfs/dbraw/zinc/96/50/96/541965096.db2.gz HUHVRTFPUSWDRL-LLVKDONJSA-N 0 3 289.329 3.137 50 0 CGAAHN c1coc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000097941074 541994790 /nfs/dbraw/zinc/99/47/90/541994790.db2.gz RJASKBBXFSFETC-CQSZACIVSA-N 0 3 295.342 3.319 50 0 CGAAHN CCC(=O)O[C@]1(c2ccccc2)CCN(C(C)C)[C@H]1C ZINC000256003426 190001403 /nfs/dbraw/zinc/00/14/03/190001403.db2.gz TZKMUTIJRAEZBG-WMLDXEAASA-N 0 3 275.392 3.338 50 0 CGAAHN CC[C@@H](Nc1ccnc2ccccc21)[C@H]1C[C@@H](O)C1 ZINC000222662364 376240580 /nfs/dbraw/zinc/24/05/80/376240580.db2.gz FXCCEKPJTXIRRN-YRGRVCCFSA-N 0 3 256.349 3.196 50 0 CGAAHN Cc1cc(CN(C)C2CCN(c3ccccc3)CC2)on1 ZINC000225843923 376329298 /nfs/dbraw/zinc/32/92/98/376329298.db2.gz TYAHRTVUJZWSJZ-UHFFFAOYSA-N 0 3 285.391 3.084 50 0 CGAAHN CC[C@@H]1CCC[C@H](CN2CCOC[C@H]2[C@@H]2CCCC2=O)C1 ZINC000242191321 376780085 /nfs/dbraw/zinc/78/00/85/376780085.db2.gz XEODZTCLBLILDT-QZWWFDLISA-N 0 3 293.451 3.273 50 0 CGAAHN CCc1nccn1CCN(C)Cc1ccc2ncccc2c1 ZINC000244852792 376799424 /nfs/dbraw/zinc/79/94/24/376799424.db2.gz UZAQQMLLGKWIPZ-UHFFFAOYSA-N 0 3 294.402 3.126 50 0 CGAAHN O=C(c1ccccn1)[C@H]1CCCN(CCCc2ccco2)C1 ZINC000244724683 376797165 /nfs/dbraw/zinc/79/71/65/376797165.db2.gz MYODXEKYWBRGQD-HNNXBMFYSA-N 0 3 298.386 3.202 50 0 CGAAHN C/C=C\CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000254443645 377707689 /nfs/dbraw/zinc/70/76/89/377707689.db2.gz BEJSSQPWJDGUML-LMVHVUTASA-N 0 3 282.428 3.141 50 0 CGAAHN Nc1cccc(C(=O)Nc2ccccc2CN2CCCC2)c1 ZINC000315866617 542437567 /nfs/dbraw/zinc/43/75/67/542437567.db2.gz MXIZVFYEXZMQMA-UHFFFAOYSA-N 0 3 295.386 3.117 50 0 CGAAHN COc1ccc(CN2CCC[C@H]2CCCO)c(Cl)c1 ZINC000096455487 533559430 /nfs/dbraw/zinc/55/94/30/533559430.db2.gz UYVSXGWUDJWUJX-ZDUSSCGKSA-N 0 3 283.799 3.086 50 0 CGAAHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN2CCCCC2)c1 ZINC000000245843 391907802 /nfs/dbraw/zinc/90/78/02/391907802.db2.gz MFSKQYNVSZNUGB-INIZCTEOSA-N 0 3 291.435 3.344 50 0 CGAAHN CN(c1ccccc1)C1CCN(Cc2ccncc2)CC1 ZINC000089365459 392227251 /nfs/dbraw/zinc/22/72/51/392227251.db2.gz YDYVTNNDJUFGKD-UHFFFAOYSA-N 0 3 281.403 3.182 50 0 CGAAHN C[C@H]1CCN(C)CCN1C(=O)Nc1ccc(Cl)cc1F ZINC000253415711 393130678 /nfs/dbraw/zinc/13/06/78/393130678.db2.gz LJFUKPOCQBRAHS-JTQLQIEISA-N 0 3 299.777 3.037 50 0 CGAAHN Cc1c2ccccc2oc1CN(C)CC1(C)COC1 ZINC000670447966 543155266 /nfs/dbraw/zinc/15/52/66/543155266.db2.gz HEVKUSWCXBEQBI-UHFFFAOYSA-N 0 3 259.349 3.210 50 0 CGAAHN Cc1ccc(C(F)(F)F)cc1CN(C)CC(C)(C)CO ZINC000670447567 543155304 /nfs/dbraw/zinc/15/53/04/543155304.db2.gz BVLUYBGRZKKPIU-UHFFFAOYSA-N 0 3 289.341 3.464 50 0 CGAAHN CC[C@H](CO)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000004942879 170043239 /nfs/dbraw/zinc/04/32/39/170043239.db2.gz RUYYDWPPSUJXDV-CYBMUJFWSA-N 0 3 279.767 3.461 50 0 CGAAHN Cc1ccc2c(CN3CCCCCC3)cc(=O)oc2c1 ZINC000005179869 170073972 /nfs/dbraw/zinc/07/39/72/170073972.db2.gz MQHDJNYJZPAOFF-UHFFFAOYSA-N 0 3 271.360 3.477 50 0 biogenic CGAAHN Cc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N(C)C)cc1 ZINC000010017922 170395253 /nfs/dbraw/zinc/39/52/53/170395253.db2.gz LZTWAPUISDAYKV-GOSISDBHSA-N 0 3 296.414 3.336 50 0 CGAAHN CCN1CCC(NC(=O)c2csc(C(C)C)c2)CC1 ZINC000016580305 170702897 /nfs/dbraw/zinc/70/28/97/170702897.db2.gz YFZQGGNGNQTRMX-UHFFFAOYSA-N 0 3 280.437 3.086 50 0 CGAAHN Fc1cccc(CN2c3ccccc3N3CCN=C23)c1 ZINC000020890246 171278083 /nfs/dbraw/zinc/27/80/83/171278083.db2.gz YNIUPNXPIOBQPI-UHFFFAOYSA-N 0 3 267.307 3.022 50 0 CGAAHN Cc1ccsc1C(=O)NCc1ccccc1CN(C)C ZINC000021938336 171337939 /nfs/dbraw/zinc/33/79/39/171337939.db2.gz PDNNZVXZZKFFHC-UHFFFAOYSA-N 0 3 288.416 3.048 50 0 CGAAHN CCN(CC)[C@H](CNC(=O)c1ccco1)c1ccsc1 ZINC000031992885 171680412 /nfs/dbraw/zinc/68/04/12/171680412.db2.gz BUJSOJLVCBARGE-CYBMUJFWSA-N 0 3 292.404 3.154 50 0 CGAAHN C[C@@H](CNCc1ccc(Cl)cc1)Oc1ccccn1 ZINC000035287317 172104943 /nfs/dbraw/zinc/10/49/43/172104943.db2.gz WULZYZSAPLKOKK-LBPRGKRZSA-N 0 3 276.767 3.292 50 0 CGAAHN C[C@H]1CCC[C@@H](NCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000037255504 173066319 /nfs/dbraw/zinc/06/63/19/173066319.db2.gz SEFXUGDSQDTBHK-SMDDNHRTSA-N 0 3 280.799 3.447 50 0 CGAAHN Cc1ccc(NC(=O)Nc2cccc3c2CCNC3)cc1 ZINC000037372834 173162779 /nfs/dbraw/zinc/16/27/79/173162779.db2.gz DRRWKLLCWPYUPT-UHFFFAOYSA-N 0 3 281.359 3.285 50 0 CGAAHN CCN(CC)C(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038832598 174156918 /nfs/dbraw/zinc/15/69/18/174156918.db2.gz YBWGSDZQXYJODP-UHFFFAOYSA-N 0 3 288.435 3.401 50 0 CGAAHN CCN1CCC[C@@H](Nc2nc3ccccc3s2)C1 ZINC000040503234 174299983 /nfs/dbraw/zinc/29/99/83/174299983.db2.gz FMHOVBNOQUQOEE-LLVKDONJSA-N 0 3 261.394 3.193 50 0 CGAAHN Fc1ccc(CNCCNCc2ccc(Cl)cc2)cc1 ZINC000045796066 175384100 /nfs/dbraw/zinc/38/41/00/175384100.db2.gz DHXFCJWRLHINQS-UHFFFAOYSA-N 0 3 292.785 3.359 50 0 CGAAHN C[C@@H](c1ccc(F)cc1)N(C)CCC(=O)N1CCCCC1 ZINC000046503655 175397304 /nfs/dbraw/zinc/39/73/04/175397304.db2.gz WBJJXBVZIBFNHG-AWEZNQCLSA-N 0 3 292.398 3.221 50 0 CGAAHN Cc1ccccc1CN1CCC[C@@H]1c1cnn(C)c1 ZINC000071797263 176265264 /nfs/dbraw/zinc/26/52/64/176265264.db2.gz APQYDUBFVRHIGB-MRXNPFEDSA-N 0 3 255.365 3.066 50 0 CGAAHN COc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000071878788 176287328 /nfs/dbraw/zinc/28/73/28/176287328.db2.gz FIAAUUXCBAIBIJ-QGZVFWFLSA-N 0 3 299.418 3.383 50 0 CGAAHN Cc1ccc(CN2CCCN(c3ccccc3)CC2)o1 ZINC000072126693 176320384 /nfs/dbraw/zinc/32/03/84/176320384.db2.gz YMXWISBEGDGCGE-UHFFFAOYSA-N 0 3 270.376 3.300 50 0 CGAAHN CCn1nncc1CNCC1CCC(c2ccccc2)CC1 ZINC000417908679 227147743 /nfs/dbraw/zinc/14/77/43/227147743.db2.gz CXHDNUNKLBQXMW-UHFFFAOYSA-N 0 3 298.434 3.362 50 0 CGAAHN CC1=CCC[C@H](C)[C@H]1CN[C@@H](C)c1nnc2n1CCCC2 ZINC000195575927 276181296 /nfs/dbraw/zinc/18/12/96/276181296.db2.gz DHEFTPGBHHMEGM-KKUMJFAQSA-N 0 3 288.439 3.257 50 0 CGAAHN COc1ccc([C@H](CN(C)C)C2(O)CCCCC2)cc1 ZINC000000896698 277428945 /nfs/dbraw/zinc/42/89/45/277428945.db2.gz PNVNVHUZROJLTJ-INIZCTEOSA-N 0 3 277.408 3.036 50 0 fda CGAAHN Cc1cc(OC[C@@H](O)CN2CCCCC2)ccc1C(C)C ZINC000005023393 301377712 /nfs/dbraw/zinc/37/77/12/301377712.db2.gz XFSZKPZVUSMQQK-INIZCTEOSA-N 0 3 291.435 3.344 50 0 CGAAHN CCC[C@H](N[C@@H]1CCN(C(=O)CC)C1)c1ccsc1 ZINC000187761335 327721606 /nfs/dbraw/zinc/72/16/06/327721606.db2.gz LHSYRVKUPAYFFV-KGLIPLIRSA-N 0 3 280.437 3.190 50 0 CGAAHN Cc1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)s1 ZINC000096477829 329526867 /nfs/dbraw/zinc/52/68/67/329526867.db2.gz GVMNVSAEBYULPY-DIFFPNOSSA-N 0 3 273.467 3.254 50 0 CGAAHN C[C@@H](NC(C)(C)C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000014134541 525387103 /nfs/dbraw/zinc/38/71/03/525387103.db2.gz NUOHCZRMUBMBQP-SECBINFHSA-N 0 3 288.313 3.421 50 0 CGAAHN CSc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000019871885 526004728 /nfs/dbraw/zinc/00/47/28/526004728.db2.gz IOVUYLUZHRMPJR-INIZCTEOSA-N 0 3 273.401 3.232 50 0 CGAAHN CCOCCN[C@@H](Cc1ccncc1)c1cccs1 ZINC000424259555 528780420 /nfs/dbraw/zinc/78/04/20/528780420.db2.gz CTMNIQYZIKIQSG-AWEZNQCLSA-N 0 3 276.405 3.053 50 0 CGAAHN CCC[N@@H+]1CCC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000952990970 614676881 /nfs/dbraw/zinc/67/68/81/614676881.db2.gz NQBBCKVHHGDGJH-ZDUSSCGKSA-N 0 3 282.815 3.010 50 0 CGAAHN CCC[N@H+]1CCC[C@H](NCc2cccc([O-])c2Cl)C1 ZINC000952990970 614676884 /nfs/dbraw/zinc/67/68/84/614676884.db2.gz NQBBCKVHHGDGJH-ZDUSSCGKSA-N 0 3 282.815 3.010 50 0 CGAAHN CC(C)=CCN[C@H](C)c1cnc(-c2ccncc2)nc1C ZINC000012072529 625982263 /nfs/dbraw/zinc/98/22/63/625982263.db2.gz KNLODURZDJZZEK-CYBMUJFWSA-N 0 3 282.391 3.464 50 0 CGAAHN C[C@H](N[C@@H](CC1CCC1)c1ccccc1)c1cnnn1C ZINC000863982495 629722065 /nfs/dbraw/zinc/72/20/65/629722065.db2.gz PDSUKOBMJJSWLS-BBRMVZONSA-N 0 3 284.407 3.397 50 0 CGAAHN c1coc(C2CCN(C[C@@H]3CCC4(CCCC4)O3)CC2)n1 ZINC000864091193 629766715 /nfs/dbraw/zinc/76/67/15/629766715.db2.gz PEUVZGWILZBGJL-HNNXBMFYSA-N 0 3 290.407 3.346 50 0 CGAAHN COc1cnc(F)c(CNCCCOC2CCCCC2)c1 ZINC000864095902 629770878 /nfs/dbraw/zinc/77/08/78/629770878.db2.gz LWMGLFRTUYOUIQ-UHFFFAOYSA-N 0 3 296.386 3.058 50 0 CGAAHN Clc1ccc(CNCCO[C@H]2CCCCO2)s1 ZINC000585117376 799677366 /nfs/dbraw/zinc/67/73/66/799677366.db2.gz ZTUFJNBJLLPOOV-LBPRGKRZSA-N 0 3 275.801 3.034 50 0 CGAAHN Clc1ccc(CNCCO[C@@H]2CCCCO2)s1 ZINC000585117375 799678045 /nfs/dbraw/zinc/67/80/45/799678045.db2.gz ZTUFJNBJLLPOOV-GFCCVEGCSA-N 0 3 275.801 3.034 50 0 CGAAHN CN1CCCCC[C@@H]1c1n[nH]c(Cc2cccs2)n1 ZINC000823778677 800468688 /nfs/dbraw/zinc/46/86/88/800468688.db2.gz UZVAZVIDKOCUHV-GFCCVEGCSA-N 0 3 276.409 3.004 50 0 CGAAHN COc1ncc(CN2CCC[C@@H](c3ccccc3)CC2)cn1 ZINC000824852111 800473132 /nfs/dbraw/zinc/47/31/32/800473132.db2.gz VEHXLMSEXHDSHV-QGZVFWFLSA-N 0 3 297.402 3.255 50 0 CGAAHN CSC[C@@H](CCO)N[C@@H](C)c1cc2ccccc2o1 ZINC000096478209 230380096 /nfs/dbraw/zinc/38/00/96/230380096.db2.gz VZVPIPPCENKFEO-WCQYABFASA-N 0 3 279.405 3.197 50 0 CGAAHN C[C@H](Cc1ccccc1C(F)(F)F)NCc1ncc[nH]1 ZINC000096500145 230384361 /nfs/dbraw/zinc/38/43/61/230384361.db2.gz PUAQDWKTMQOMSK-SNVBAGLBSA-N 0 3 283.297 3.149 50 0 CGAAHN Cc1ccc2ccccc2c1NC(=O)N1CC[C@H](N(C)C)C1 ZINC000095518871 185002334 /nfs/dbraw/zinc/00/23/34/185002334.db2.gz AHNBOCAIKASENW-HNNXBMFYSA-N 0 3 297.402 3.316 50 0 CGAAHN CCc1ccc([C@@H](NCC(=O)NC(C)(C)C)C(C)C)cc1 ZINC000096955930 185140592 /nfs/dbraw/zinc/14/05/92/185140592.db2.gz OEYZIFPQARHAQD-KRWDZBQOSA-N 0 3 290.451 3.450 50 0 CGAAHN CN(C)C[C@H](Cc1ccccc1)C(=O)c1ccccc1 ZINC000096027103 345901693 /nfs/dbraw/zinc/90/16/93/345901693.db2.gz GWKUOJPCBVXLJQ-KRWDZBQOSA-N 0 3 267.372 3.290 50 0 CGAAHN FC(F)(F)c1cccc(CN2CC(N3CCCCC3)C2)c1 ZINC000097436772 185603690 /nfs/dbraw/zinc/60/36/90/185603690.db2.gz WPSMJYNETQPGOA-UHFFFAOYSA-N 0 3 298.352 3.376 50 0 CGAAHN CC(=O)NC1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187081854 346260291 /nfs/dbraw/zinc/26/02/91/346260291.db2.gz XMIPUDDXMAUXGV-GFCCVEGCSA-N 0 3 294.826 3.044 50 0 CGAAHN Clc1ccc2[nH]c(CN[C@@H]3CCCSC3)nc2c1 ZINC000584892207 346722245 /nfs/dbraw/zinc/72/22/45/346722245.db2.gz MYODGGXHFAAXIY-SNVBAGLBSA-N 0 3 281.812 3.202 50 0 CGAAHN Clc1ccc2nc(CN[C@@H]3CCCSC3)[nH]c2c1 ZINC000584892207 346722249 /nfs/dbraw/zinc/72/22/49/346722249.db2.gz MYODGGXHFAAXIY-SNVBAGLBSA-N 0 3 281.812 3.202 50 0 CGAAHN CCC(=O)N1CC[C@H](NCc2ccc(Cl)o2)[C@@H](CC)C1 ZINC000089948966 179890477 /nfs/dbraw/zinc/89/04/77/179890477.db2.gz GZWUECIEPHICFO-AAEUAGOBSA-N 0 3 298.814 3.060 50 0 CGAAHN COC[C@@H](N[C@H](C)c1cnc2ccsc2c1)C1CC1 ZINC000090717007 180030894 /nfs/dbraw/zinc/03/08/94/180030894.db2.gz ZDZSMFLFMAWAPC-QMTHXVAHSA-N 0 3 276.405 3.372 50 0 CGAAHN C[C@]1(c2ccccc2)CCCN(Cc2cncnc2)C1 ZINC000091876559 180278862 /nfs/dbraw/zinc/27/88/62/180278862.db2.gz XGTDZQKTVOCKIQ-KRWDZBQOSA-N 0 3 267.376 3.030 50 0 CGAAHN CS[C@@H]1CC[C@H](N(C)Cc2cccc(NC(C)=O)c2)C1 ZINC000110641643 186308465 /nfs/dbraw/zinc/30/84/65/186308465.db2.gz RZHVIKWGYOJOCS-JKSUJKDBSA-N 0 3 292.448 3.361 50 0 CGAAHN Cn1c(CN[C@@H]2CCCC2(C)C)nnc1-c1ccccc1 ZINC000191300882 189590967 /nfs/dbraw/zinc/59/09/67/189590967.db2.gz SYHMFCRHQWCVSO-CQSZACIVSA-N 0 3 284.407 3.150 50 0 CGAAHN Cc1nc(C)c(C)c(-c2ccc(CN(C)C)cc2)n1 ZINC000215419082 189694531 /nfs/dbraw/zinc/69/45/31/189694531.db2.gz OETCAKGJCFVPDY-UHFFFAOYSA-N 0 3 255.365 3.130 50 0 CGAAHN Fc1ccc([C@H]2CCN(CCn3cc(Cl)cn3)C2)cc1 ZINC000459337442 242078913 /nfs/dbraw/zinc/07/89/13/242078913.db2.gz DTSPIUSBVRTVTJ-ZDUSSCGKSA-N 0 3 293.773 3.165 50 0 CGAAHN COc1ccc(CN2CCc3ccccc3C2)cc1 ZINC000000239527 368321789 /nfs/dbraw/zinc/32/17/89/368321789.db2.gz FAVAVROQEIRQGE-UHFFFAOYSA-N 0 3 253.345 3.254 50 0 CGAAHN C/C=C(\C)CN1CCN(c2cc(C)ccc2C)CC1 ZINC000000278658 368332265 /nfs/dbraw/zinc/33/22/65/368332265.db2.gz CAHYBXRVISPHFZ-LHHJGKSTSA-N 0 3 258.409 3.392 50 0 CGAAHN Clc1cccc(CSc2nnc([C@H]3CCCN3)o2)c1 ZINC000002214363 368450141 /nfs/dbraw/zinc/45/01/41/368450141.db2.gz DACYRJAMGBYLIQ-LLVKDONJSA-N 0 3 295.795 3.440 50 0 CGAAHN C[C@@H](NCCOCCOc1ccccc1)c1ccccc1 ZINC000002822661 368480426 /nfs/dbraw/zinc/48/04/26/368480426.db2.gz YKYJALSJLXEINP-MRXNPFEDSA-N 0 3 285.387 3.433 50 0 CGAAHN c1ccc(OCCOCCN2CCc3ccccc3C2)cc1 ZINC000002839423 368481463 /nfs/dbraw/zinc/48/14/63/368481463.db2.gz MRAUNCIHZMAABJ-UHFFFAOYSA-N 0 3 297.398 3.140 50 0 CGAAHN O=C(Nc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000003622400 368516318 /nfs/dbraw/zinc/51/63/18/368516318.db2.gz RKROQEVUVQKKGT-KRWDZBQOSA-N 0 3 295.386 3.083 50 0 CGAAHN O=C(NCc1ccccc1CN1CCCCC1)c1ccoc1 ZINC000010283010 368579696 /nfs/dbraw/zinc/57/96/96/368579696.db2.gz VYDJFNPNJYQLRJ-UHFFFAOYSA-N 0 3 298.386 3.196 50 0 CGAAHN C[C@@H]1[C@H](O)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 ZINC000013468173 368653546 /nfs/dbraw/zinc/65/35/46/368653546.db2.gz RUYRAUWKVSWJFK-RNJTYBCJSA-N 0 3 267.372 3.459 50 0 CGAAHN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCCN1 ZINC000019410905 368752172 /nfs/dbraw/zinc/75/21/72/368752172.db2.gz JTMHLXDCGFPGFI-JTQLQIEISA-N 0 3 273.163 3.074 50 0 CGAAHN C[C@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 ZINC000023652879 368823803 /nfs/dbraw/zinc/82/38/03/368823803.db2.gz KBICXAMYRQJAHA-OAHLLOKOSA-N 0 3 282.387 3.275 50 0 CGAAHN C[C@H](Cn1ccnc1)N[C@H](C)c1ccc(F)c(Cl)c1 ZINC000037157028 369073179 /nfs/dbraw/zinc/07/31/79/369073179.db2.gz GBXPNBYOJDOGAV-GHMZBOCLSA-N 0 3 281.762 3.415 50 0 CGAAHN O=C1CCc2c1cccc2OC[C@@H]1CCCN2CCCC[C@H]12 ZINC000055326631 369514328 /nfs/dbraw/zinc/51/43/28/369514328.db2.gz YOYDVGKDJXTVPL-WMLDXEAASA-N 0 3 299.414 3.459 50 0 CGAAHN c1cc(CN(Cc2cccnc2)C[C@@H]2CCOC2)cs1 ZINC000055343101 369514476 /nfs/dbraw/zinc/51/44/76/369514476.db2.gz HAUNYQXLOZOHHF-HNNXBMFYSA-N 0 3 288.416 3.182 50 0 CGAAHN C[C@@H](c1n[nH]c(Cc2ccccc2)n1)N1CCC(C)CC1 ZINC000065372351 369669385 /nfs/dbraw/zinc/66/93/85/369669385.db2.gz DRFVSMHPALMADC-AWEZNQCLSA-N 0 3 284.407 3.188 50 0 CGAAHN CSC(C)(C)C[C@H](C)NCc1csc(C)n1 ZINC000065384236 369671271 /nfs/dbraw/zinc/67/12/71/369671271.db2.gz HSXMUFVZUTWRHM-VIFPVBQESA-N 0 3 258.456 3.461 50 0 CGAAHN CN(Cn1nccc1-c1ccncc1)C(C1CC1)C1CC1 ZINC000067094793 369711651 /nfs/dbraw/zinc/71/16/51/369711651.db2.gz OGPQQXITVURMED-UHFFFAOYSA-N 0 3 282.391 3.023 50 0 CGAAHN OCc1ccc(CN2CC[C@@H](c3ccccc3Cl)C2)o1 ZINC000065432580 369676047 /nfs/dbraw/zinc/67/60/47/369676047.db2.gz TUVZBSKEAWOUFR-GFCCVEGCSA-N 0 3 291.778 3.415 50 0 CGAAHN CSCc1ccc(CN[C@@H](C)[C@@H](C)n2cc(C)cn2)o1 ZINC000069538514 369763400 /nfs/dbraw/zinc/76/34/00/369763400.db2.gz PPQJFDAZMCWTDH-QWHCGFSZSA-N 0 3 293.436 3.387 50 0 CGAAHN Cc1csc(CCNCc2cccc(F)c2F)n1 ZINC000089705556 370046575 /nfs/dbraw/zinc/04/65/75/370046575.db2.gz VQAYZTWYIBSSIQ-UHFFFAOYSA-N 0 3 268.332 3.062 50 0 CGAAHN COc1ccccc1CN1CC[C@@H](CNc2ccccn2)C1 ZINC000092812828 370103402 /nfs/dbraw/zinc/10/34/02/370103402.db2.gz UENOCMMTXXMQKC-HNNXBMFYSA-N 0 3 297.402 3.024 50 0 CGAAHN COc1ccccc1[C@@H]1CCN(Cc2cccnc2C)C1 ZINC000093593724 370145456 /nfs/dbraw/zinc/14/54/56/370145456.db2.gz ZZWKKVUXIDAYIT-MRXNPFEDSA-N 0 3 282.387 3.388 50 0 CGAAHN CN(Cc1cccn1Cc1cccs1)C[C@H]1CCOC1 ZINC000093839661 370162833 /nfs/dbraw/zinc/16/28/33/370162833.db2.gz VOBNCQDAARQFFN-CQSZACIVSA-N 0 3 290.432 3.066 50 0 CGAAHN Cc1nnc(CN[C@@H](Cc2ccccc2)C2CCCC2)n1C ZINC000097034226 370216377 /nfs/dbraw/zinc/21/63/77/370216377.db2.gz PIFPFYHZRPQQTK-KRWDZBQOSA-N 0 3 298.434 3.015 50 0 CGAAHN CCC(CC)[C@@H]1C[C@H](NCc2cncs2)CCO1 ZINC000097047088 370218966 /nfs/dbraw/zinc/21/89/66/370218966.db2.gz QRNWORPWYXGXIJ-OCCSQVGLSA-N 0 3 268.426 3.217 50 0 CGAAHN c1c[nH]c(CNC2(Cc3ccccc3)CCCC2)n1 ZINC000097112690 370227145 /nfs/dbraw/zinc/22/71/45/370227145.db2.gz FBQKVPAGGLTHSC-UHFFFAOYSA-N 0 3 255.365 3.055 50 0 CGAAHN CC(C)OC[C@@H](O)CN(C)Cc1csc2ccccc12 ZINC000097325273 370238114 /nfs/dbraw/zinc/23/81/14/370238114.db2.gz CGTVJLVGWFIHFV-AWEZNQCLSA-N 0 3 293.432 3.119 50 0 CGAAHN Cc1nc(CN2CCC[C@@H](c3ccccc3)C2)c[nH]1 ZINC000097553372 370245610 /nfs/dbraw/zinc/24/56/10/370245610.db2.gz QKWWQGQPBFUCCH-OAHLLOKOSA-N 0 3 255.365 3.098 50 0 CGAAHN Cc1ccc([C@H](C)CCN2CCC(c3ncon3)CC2)o1 ZINC000097638060 370249661 /nfs/dbraw/zinc/24/96/61/370249661.db2.gz ZRWOSRUDIKXHDS-GFCCVEGCSA-N 0 3 289.379 3.344 50 0 CGAAHN COc1cc(OC)c([C@H](C)NC[C@@H]2CCCO2)cc1Cl ZINC000095419233 370186499 /nfs/dbraw/zinc/18/64/99/370186499.db2.gz VYXAZWVASSJMNA-QWRGUYRKSA-N 0 3 299.798 3.187 50 0 CGAAHN C[C@H](C[C@@H](O)c1ccccc1)NCc1ccsc1 ZINC000095448812 370195326 /nfs/dbraw/zinc/19/53/26/370195326.db2.gz RJDXASNDAZAPBJ-IUODEOHRSA-N 0 3 261.390 3.350 50 0 CGAAHN c1ccc(-c2nc3c([nH]2)CN(c2ccncc2)CC3)cc1 ZINC000095530401 370201054 /nfs/dbraw/zinc/20/10/54/370201054.db2.gz RNUAKENVMBSXCA-UHFFFAOYSA-N 0 3 276.343 3.034 50 0 CGAAHN CC(C)(C)c1ccc(CN2CCC(O)CC2)s1 ZINC000162260066 372383819 /nfs/dbraw/zinc/38/38/19/372383819.db2.gz LXXDNSRBIXXXQX-UHFFFAOYSA-N 0 3 253.411 3.002 50 0 CGAAHN Cc1cc(NC(=O)CN[C@H]2CCC[C@@H]2CCC(C)C)no1 ZINC000170607269 372641637 /nfs/dbraw/zinc/64/16/37/372641637.db2.gz NATBUALIHZVSNV-KGLIPLIRSA-N 0 3 293.411 3.116 50 0 CGAAHN CN(CC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000170619327 372643113 /nfs/dbraw/zinc/64/31/13/372643113.db2.gz VQIUEDZQJZSQRT-UHFFFAOYSA-N 0 3 298.333 3.101 50 0 CGAAHN C[C@H](C1CC1)N(CC[S@@](=O)c1ccccc1)C1CC1 ZINC000170621626 372643303 /nfs/dbraw/zinc/64/33/03/372643303.db2.gz HAMUDUVFCGIMRM-BFUOFWGJSA-N 0 3 277.433 3.057 50 0 CGAAHN O=C(c1ccc(Cl)o1)N1CCCN(C2CCCC2)CC1 ZINC000172421885 372960712 /nfs/dbraw/zinc/96/07/12/372960712.db2.gz NABVQIYKKLQNMS-UHFFFAOYSA-N 0 3 296.798 3.024 50 0 CGAAHN CCCCN(CCCC)C(=S)SCCN(C)C ZINC000071772563 541896460 /nfs/dbraw/zinc/89/64/60/541896460.db2.gz SYIKMCKGMNZBNX-UHFFFAOYSA-N 0 3 276.515 3.468 50 0 CGAAHN CCN(C)Cc1cc(=O)oc2cc(C)c(Cl)cc12 ZINC000077242003 541911619 /nfs/dbraw/zinc/91/16/19/541911619.db2.gz GZCPUUGJTYEJJJ-UHFFFAOYSA-N 0 3 265.740 3.207 50 0 CGAAHN Cc1nn(C)cc1CN1CCCC[C@H]1CCc1ccccn1 ZINC000252493398 189977304 /nfs/dbraw/zinc/97/73/04/189977304.db2.gz NBIWATMHAMNBDH-SFHVURJKSA-N 0 3 298.434 3.111 50 0 CGAAHN N[C@@H](CC(=O)N1CC2(CC2)c2ccccc21)c1ccccc1 ZINC000195544226 376112197 /nfs/dbraw/zinc/11/21/97/376112197.db2.gz UNFWTIAQVACRKQ-INIZCTEOSA-N 0 3 292.382 3.155 50 0 CGAAHN CCNc1ncc(CN2CCC[C@H](c3ccccc3)C2)cn1 ZINC000215641239 376151031 /nfs/dbraw/zinc/15/10/31/376151031.db2.gz AZHYSHXNEZAGMR-KRWDZBQOSA-N 0 3 296.418 3.288 50 0 CGAAHN CCOc1cccc(CN(C)CC[C@@H]2CCCCO2)c1 ZINC000216327392 376160550 /nfs/dbraw/zinc/16/05/50/376160550.db2.gz WSZMIXQAOXDFKC-INIZCTEOSA-N 0 3 277.408 3.476 50 0 CGAAHN Fc1ccc(/C=C/CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000245731520 376895630 /nfs/dbraw/zinc/89/56/30/376895630.db2.gz FFCZFXVVVCFKIB-PKUCDIRRSA-N 0 3 293.407 3.045 50 0 CGAAHN COCC[C@@H]1CCCCN(Cc2cn(C(C)C)nc2C)C1 ZINC000253432217 377693899 /nfs/dbraw/zinc/69/38/99/377693899.db2.gz XDGQXGMXYAEHSB-INIZCTEOSA-N 0 3 293.455 3.411 50 0 CGAAHN COc1ccc([C@H]([NH2+]Cc2ncccc2[O-])C(C)C)cc1 ZINC000408516872 380015040 /nfs/dbraw/zinc/01/50/40/380015040.db2.gz IFFYSLBKRCIDFL-QGZVFWFLSA-N 0 3 286.375 3.283 50 0 CGAAHN COc1ccc([C@@H](CN(C)C)NCc2ccsc2)cc1 ZINC000284139425 380129631 /nfs/dbraw/zinc/12/96/31/380129631.db2.gz UYBXUQVKGYLNOL-MRXNPFEDSA-N 0 3 290.432 3.149 50 0 CGAAHN C[C@@](O)(CCNCc1cccnc1Cl)c1ccccc1 ZINC000189834917 130028278 /nfs/dbraw/zinc/02/82/78/130028278.db2.gz GZRCXLHJCHIBEQ-MRXNPFEDSA-N 0 3 290.794 3.122 50 0 CGAAHN CCc1ccc(CN(C)CC[C@H]2CCCCO2)o1 ZINC000215240672 392987953 /nfs/dbraw/zinc/98/79/53/392987953.db2.gz HNGQCACYSCHIDV-CQSZACIVSA-N 0 3 251.370 3.233 50 0 CGAAHN COc1ccc(/C=C/CN2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000670435735 543154328 /nfs/dbraw/zinc/15/43/28/543154328.db2.gz KFGXZNBECYPRDJ-WPTTZPOMSA-N 0 3 297.402 3.311 50 0 CGAAHN CCc1ccc(CN2CCC[C@@H](Cn3ccnc3C)C2)o1 ZINC000670448393 543155812 /nfs/dbraw/zinc/15/58/12/543155812.db2.gz CBCFKJBBAUCHBT-OAHLLOKOSA-N 0 3 287.407 3.259 50 0 CGAAHN COCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000004942959 170043556 /nfs/dbraw/zinc/04/35/56/170043556.db2.gz NOYNIBLEZDVZSN-UHFFFAOYSA-N 0 3 295.766 3.345 50 0 CGAAHN Cc1ccc(C)c(CSc2nnc([C@@H]3CCCN3)o2)c1 ZINC000005556993 170112968 /nfs/dbraw/zinc/11/29/68/170112968.db2.gz GWYXDJLFDMQROZ-ZDUSSCGKSA-N 0 3 289.404 3.403 50 0 CGAAHN CC[C@@H](CO)NCc1ccccc1OCc1ccccc1 ZINC000005907680 170153654 /nfs/dbraw/zinc/15/36/54/170153654.db2.gz RBIDXKYFWJTIMW-KRWDZBQOSA-N 0 3 285.387 3.126 50 0 CGAAHN CCc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)cc1 ZINC000005908903 170153832 /nfs/dbraw/zinc/15/38/32/170153832.db2.gz YPZWNJUKRILYCT-CRAIPNDOSA-N 0 3 299.414 3.340 50 0 CGAAHN COc1cccc(OCCOc2ccccc2F)c1 ZINC000006412992 170199401 /nfs/dbraw/zinc/19/94/01/170199401.db2.gz FTTRSMQOSHXTDJ-UHFFFAOYSA-N 0 3 262.280 3.292 50 0 CGAAHN COc1ccccc1OCCN1CC[C@@H](C)[C@@H](C)C1 ZINC000006704085 170230712 /nfs/dbraw/zinc/23/07/12/170230712.db2.gz QTEPPUOVUCXBTM-KGLIPLIRSA-N 0 3 263.381 3.052 50 0 CGAAHN CN(C)CCN(Cc1ccccc1)Cc1cccc(F)c1 ZINC000019637103 170833072 /nfs/dbraw/zinc/83/30/72/170833072.db2.gz OXRUILAZGLWVNT-UHFFFAOYSA-N 0 3 286.394 3.390 50 0 CGAAHN CCN1CCN(CCCSc2ccc(C)cc2)CC1 ZINC000020389911 171179104 /nfs/dbraw/zinc/17/91/04/171179104.db2.gz YYHGBOOPUUAKJE-UHFFFAOYSA-N 0 3 278.465 3.115 50 0 CGAAHN N[C@H](c1ccccc1)c1cccc(Br)c1 ZINC000020391215 171179427 /nfs/dbraw/zinc/17/94/27/171179427.db2.gz SPJBOTWJLJIHLV-CYBMUJFWSA-N 0 3 262.150 3.497 50 0 CGAAHN CN(C)Cc1ccccc1NC(=O)[C@@H]1CC=CCC1 ZINC000024643520 171438671 /nfs/dbraw/zinc/43/86/71/171438671.db2.gz PLMJLAVQRISHDV-CYBMUJFWSA-N 0 3 258.365 3.043 50 0 CGAAHN CN(C)Cc1cccc(CNc2ncnc3sccc32)c1 ZINC000043997869 175136833 /nfs/dbraw/zinc/13/68/33/175136833.db2.gz WVCIUBCQLSGFBE-UHFFFAOYSA-N 0 3 298.415 3.365 50 0 CGAAHN C[C@H](CNC(=O)c1ccc2ccccc2c1)N1CCCC1 ZINC000046408540 175396117 /nfs/dbraw/zinc/39/61/17/175396117.db2.gz VYINIZWZBHTIDT-CQSZACIVSA-N 0 3 282.387 3.054 50 0 CGAAHN O=C(c1cc2ccccc2o1)N1CCC[C@@H](N2CCCC2)C1 ZINC000071821540 176270858 /nfs/dbraw/zinc/27/08/58/176270858.db2.gz UGXSPJFBLBJSPU-OAHLLOKOSA-N 0 3 298.386 3.133 50 0 CGAAHN O[C@@H](C[C@H]1CCCN1Cc1ccccn1)c1ccccc1 ZINC000078947931 177408867 /nfs/dbraw/zinc/40/88/67/177408867.db2.gz FZUWAYQASXMSGK-MSOLQXFVSA-N 0 3 282.387 3.170 50 0 CGAAHN CC(C)c1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000001475830 416444384 /nfs/dbraw/zinc/44/43/84/416444384.db2.gz PVKIUROLYYTRPP-OAHLLOKOSA-N 0 3 277.408 3.036 50 0 CGAAHN CC(C)c1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000001475831 416444432 /nfs/dbraw/zinc/44/44/32/416444432.db2.gz PVKIUROLYYTRPP-HNNXBMFYSA-N 0 3 277.408 3.036 50 0 CGAAHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000112716539 416497776 /nfs/dbraw/zinc/49/77/76/416497776.db2.gz HGBQRXODPKZVMA-QWRGUYRKSA-N 0 3 288.313 3.306 50 0 CGAAHN COc1ccc(CN[C@@H](C)C(C)(C)C(F)F)cc1O ZINC000657864701 419393472 /nfs/dbraw/zinc/39/34/72/419393472.db2.gz PBHXCOXLJOAXNZ-VIFPVBQESA-N 0 3 273.323 3.170 50 0 CGAAHN CN[C@H](CO)c1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000530248235 270197575 /nfs/dbraw/zinc/19/75/75/270197575.db2.gz JWEHDSXUALCIAY-GOSISDBHSA-N 0 3 283.371 3.148 50 0 CGAAHN COc1ccccc1N1CCN([C@@H]2CC[C@H](C)C2)CC1 ZINC000000277011 274158806 /nfs/dbraw/zinc/15/88/06/274158806.db2.gz UIXAGJDENQATEF-LSDHHAIUSA-N 0 3 274.408 3.006 50 0 CGAAHN COC(=O)CCCCN1CCSC2(CCCCC2)C1 ZINC000240757007 277054771 /nfs/dbraw/zinc/05/47/71/277054771.db2.gz HVVNUEFMSPDTDN-UHFFFAOYSA-N 0 3 285.453 3.081 50 0 CGAAHN CSc1ccc2c(c1)CCN(C[C@H]1CCCOC1)C2 ZINC000244724276 278174991 /nfs/dbraw/zinc/17/49/91/278174991.db2.gz MRAREYAXZDHHDH-CYBMUJFWSA-N 0 3 277.433 3.193 50 0 CGAAHN C[C@@H](CC(=O)Nc1ccccc1)NCc1ccccc1 ZINC000075568122 278222290 /nfs/dbraw/zinc/22/22/90/278222290.db2.gz HIZBBGKTPFWAAG-AWEZNQCLSA-N 0 3 268.360 3.194 50 0 CGAAHN C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1cccs1 ZINC000000808169 278242637 /nfs/dbraw/zinc/24/26/37/278242637.db2.gz KGHVRLNTUNWPCB-ZDUSSCGKSA-N 0 3 289.400 3.425 50 0 CGAAHN C[C@H](CN(C)C)N(C(=O)c1ccccc1)c1ccccc1 ZINC000002021074 289513777 /nfs/dbraw/zinc/51/37/77/289513777.db2.gz DIZFACPPEWMLEL-OAHLLOKOSA-N 0 3 282.387 3.284 50 0 CGAAHN Fc1cccc(-c2cc(CN[C@H]3CCCSC3)on2)c1 ZINC000534669252 328346719 /nfs/dbraw/zinc/34/67/19/328346719.db2.gz IWUKXDWXHKNVHS-ZDUSSCGKSA-N 0 3 292.379 3.466 50 0 CGAAHN Cc1nc(C2CCN(Cc3cccc4[nH]ccc43)CC2)no1 ZINC000092787957 327195370 /nfs/dbraw/zinc/19/53/70/327195370.db2.gz XXLVIEFHCABPMR-UHFFFAOYSA-N 0 3 296.374 3.239 50 0 CGAAHN Cc1nc2n(n1)CCC[C@@H]2NC[C@@H]1C(C)=CCC[C@@H]1C ZINC000195568501 336056537 /nfs/dbraw/zinc/05/65/37/336056537.db2.gz MEKGLWAGQJWWNX-CFVMTHIKSA-N 0 3 274.412 3.003 50 0 CGAAHN CC(C)(C)NC1=N[C@@H]2CCCC[C@H]2NC12CCCCC2 ZINC000075567130 572416355 /nfs/dbraw/zinc/41/63/55/572416355.db2.gz RZTJQMMSLXAODI-ZIAGYGMSSA-N 0 3 277.456 3.390 50 0 CGAAHN CN(Cc1cccnc1N)C[C@]1(c2ccccc2)CC1(C)C ZINC000952964527 616082537 /nfs/dbraw/zinc/08/25/37/616082537.db2.gz NZDZKANTWQXMBE-IBGZPJMESA-N 0 3 295.430 3.464 50 0 CGAAHN COCCCC1(CNCc2noc3c2CCCC3)CCC1 ZINC000864088594 629765266 /nfs/dbraw/zinc/76/52/66/629765266.db2.gz FMHAGCJGAPNIAU-UHFFFAOYSA-N 0 3 292.423 3.240 50 0 CGAAHN C[C@H](NCc1ccccc1OCCO)C1=CCCCC1 ZINC000952967521 636775774 /nfs/dbraw/zinc/77/57/74/636775774.db2.gz ARMBUPUVWHBNIL-AWEZNQCLSA-N 0 3 275.392 3.036 50 0 CGAAHN Cc1nnc([C@H](C)NC2CCC3(CC3(F)F)CC2)s1 ZINC000952993178 636776738 /nfs/dbraw/zinc/77/67/38/636776738.db2.gz QCFVFIDPMLBEPW-JNHNWMDNSA-N 0 3 287.379 3.465 50 0 CGAAHN