smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCN1CC[C@H]2CN(Cc3ccncc3)C[C@@H]2C1=O ZINC000096054620 185076387 /nfs/dbraw/zinc/07/63/87/185076387.db2.gz IXSRFVUINFNKKR-GJZGRUSLSA-N 0 3 289.379 1.008 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@H]2OC ZINC000096108516 185099440 /nfs/dbraw/zinc/09/94/40/185099440.db2.gz YBQQTLITZGKFGL-RRFJBIMHSA-N 0 3 292.379 1.769 40 0 CDABHN CO[C@@]1(CCC(=O)N(C)C)CCCN(Cc2cnc[nH]2)C1 ZINC000585276406 342256211 /nfs/dbraw/zinc/25/62/11/342256211.db2.gz OIZPBLMLUIUUMO-OAHLLOKOSA-N 0 3 294.399 1.259 40 0 CDABHN CNC(=O)C[C@]1(COC)CCCN1Cc1cccnc1 ZINC000585277702 342256434 /nfs/dbraw/zinc/25/64/34/342256434.db2.gz XEDQVLDPOWYLGN-HNNXBMFYSA-N 0 3 277.368 1.199 40 0 CDABHN CCOc1ccc([C@@H](N)c2nnc[nH]2)cc1OCC ZINC000087878901 362163587 /nfs/dbraw/zinc/16/35/87/362163587.db2.gz LPMCBHLKXFPGLH-GFCCVEGCSA-N 0 3 262.313 1.650 40 0 CDABHN CCOc1ccc(-c2ccc(N3CCNCC3)nn2)cc1 ZINC000061966109 362958826 /nfs/dbraw/zinc/95/88/26/362958826.db2.gz IKKGSTPDIWUFKV-UHFFFAOYSA-N 0 3 284.363 1.952 40 0 CDABHN O=C(N1CCCC1)N1CCN2C[C@@H](OCC3CC3)C[C@H]2C1 ZINC000107746694 186189321 /nfs/dbraw/zinc/18/93/21/186189321.db2.gz PAURGSWULQWVEN-GJZGRUSLSA-N 0 3 293.411 1.387 40 0 CDABHN COC[C@@H]1CNCc2cn(CC3CCOCC3)nc21 ZINC000107492394 186175937 /nfs/dbraw/zinc/17/59/37/186175937.db2.gz QCNMOKBGXKNUOY-ZDUSSCGKSA-N 0 3 265.357 1.143 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497872 356033064 /nfs/dbraw/zinc/03/30/64/356033064.db2.gz RVOVRCWOQVWGCP-LLVKDONJSA-N 0 3 293.342 1.365 40 0 CDABHN CC(C)CCNC(=O)[C@H]1CN(C)Cc2cn(C)nc21 ZINC000019701579 356496157 /nfs/dbraw/zinc/49/61/57/356496157.db2.gz QEYFJVRZXCWMIL-LBPRGKRZSA-N 0 3 264.373 1.111 40 0 CDABHN CN(C(=O)CN)C1CC[NH+](Cc2ccccc2)CC1 ZINC000079404154 356990025 /nfs/dbraw/zinc/99/00/25/356990025.db2.gz XHHHRQKFSJLUIV-UHFFFAOYSA-N 0 3 261.369 1.068 40 0 CDABHN CN(C(=O)CN)C1CCN(Cc2ccccc2)CC1 ZINC000079404154 356990029 /nfs/dbraw/zinc/99/00/29/356990029.db2.gz XHHHRQKFSJLUIV-UHFFFAOYSA-N 0 3 261.369 1.068 40 0 CDABHN CC(C)N(CC(=O)N1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685597 358563965 /nfs/dbraw/zinc/56/39/65/358563965.db2.gz QMOAVJOSEMEHCD-OKILXGFUSA-N 0 3 298.427 1.512 40 0 CDABHN COCCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202770 358719348 /nfs/dbraw/zinc/71/93/48/358719348.db2.gz ATEDXVFCVZZIRN-UHFFFAOYSA-N 0 3 294.420 1.819 40 0 CDABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1CC1CC1 ZINC000096245031 358725004 /nfs/dbraw/zinc/72/50/04/358725004.db2.gz JKVPIIBTHOIIQL-KBPBESRZSA-N 0 3 260.337 1.580 40 0 CDABHN COCCN1CCc2ncnc(NC(C)C)c2CC1 ZINC000096255539 358728682 /nfs/dbraw/zinc/72/86/82/358728682.db2.gz IPSCKAYXENZZFY-UHFFFAOYSA-N 0 3 264.373 1.344 40 0 CDABHN CC(=O)O[C@@H]1OC(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000026896088 359708990 /nfs/dbraw/zinc/70/89/90/359708990.db2.gz OIMDYFXQAQBIGI-GZBFAFLISA-N 0 3 275.304 1.181 40 0 CDABHN O[C@H](CNCc1ccccc1)COCc1ccco1 ZINC000026897802 359758116 /nfs/dbraw/zinc/75/81/16/359758116.db2.gz UNENPFOFQZUKJC-CQSZACIVSA-N 0 3 261.321 1.947 40 0 CDABHN CCCC1C(=O)NC(=O)c2ccc(Br)n21 ZINC000575410785 364762719 /nfs/dbraw/zinc/76/27/19/364762719.db2.gz HPTMRGBUINYLGT-ZCFIWIBFSA-N 0 3 271.114 1.862 40 0 CDABHN COC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990026 189712740 /nfs/dbraw/zinc/71/27/40/189712740.db2.gz VIWMYMDRNJLKBZ-CHWSQXEVSA-N 0 3 269.366 1.133 40 0 CDABHN Cc1ccc(OCCNC(=O)C2CCN(C)CC2)cc1 ZINC000072798662 541874618 /nfs/dbraw/zinc/87/46/18/541874618.db2.gz BPAGNVVDXDFZMU-UHFFFAOYSA-N 0 3 276.380 1.832 40 0 CDABHN COc1ccc(OC)c([C@H](CN)N2CCOCC2)c1 ZINC000019796347 374791575 /nfs/dbraw/zinc/79/15/75/374791575.db2.gz GUGVZBRWYKIBAN-ZDUSSCGKSA-N 0 3 266.341 1.036 40 0 CDABHN CN1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215164 190013048 /nfs/dbraw/zinc/01/30/48/190013048.db2.gz COYWILHDSMXMHQ-SNVBAGLBSA-N 0 3 262.313 1.242 40 0 CDABHN CN1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257215163 190013176 /nfs/dbraw/zinc/01/31/76/190013176.db2.gz COYWILHDSMXMHQ-JTQLQIEISA-N 0 3 262.313 1.242 40 0 CDABHN Cn1cncc1-c1cncc([C@@H]2CCCN(CCO)C2)n1 ZINC000257220163 190014370 /nfs/dbraw/zinc/01/43/70/190014370.db2.gz DJUXJYYIGJLKQC-GFCCVEGCSA-N 0 3 287.367 1.049 40 0 CDABHN Cn1cncc1CN1CCNC[C@H]1c1ccccc1 ZINC000257307428 190031467 /nfs/dbraw/zinc/03/14/67/190031467.db2.gz SYPALGHNKHXJQZ-HNNXBMFYSA-N 0 3 256.353 1.567 40 0 CDABHN CNc1nccnc1C[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257317781 190032570 /nfs/dbraw/zinc/03/25/70/190032570.db2.gz VLCNVWHHILCXEJ-GFCCVEGCSA-N 0 3 286.383 1.696 40 0 CDABHN CCn1cc(CN2CC[C@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316310 190033080 /nfs/dbraw/zinc/03/30/80/190033080.db2.gz VFAADGJUSSYEKO-LBPRGKRZSA-N 0 3 259.357 1.924 40 0 CDABHN Cn1ncc(Cl)c1CNCC1(C(N)=O)CCOCC1 ZINC000331229836 376677154 /nfs/dbraw/zinc/67/71/54/376677154.db2.gz PPKAGGABECPXJO-UHFFFAOYSA-N 0 3 286.763 1.495 40 0 CDABHN COC1(OC)CCN(Cc2ccccc2)C[C@H]1O ZINC000033607269 390399080 /nfs/dbraw/zinc/39/90/80/390399080.db2.gz ANEFKQJYRFOSON-CYBMUJFWSA-N 0 3 251.326 1.242 40 0 CDABHN Cc1ccc(NC(=S)NC2CCN(C)CC2)nc1 ZINC000063144907 390525486 /nfs/dbraw/zinc/52/54/86/390525486.db2.gz SDYORSLSILJGQK-UHFFFAOYSA-N 0 3 264.398 1.771 40 0 CDABHN CCOC(=O)[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C ZINC000096510332 390530442 /nfs/dbraw/zinc/53/04/42/390530442.db2.gz ICLFKLQIHHBWQG-ZJUUUORDSA-N 0 3 272.345 1.052 40 0 CDABHN CC(C)N1CCOC[C@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049717 390912361 /nfs/dbraw/zinc/91/23/61/390912361.db2.gz WATWUPRTUQZPHO-INIZCTEOSA-N 0 3 294.395 1.591 40 0 CDABHN COCCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063970 390912513 /nfs/dbraw/zinc/91/25/13/390912513.db2.gz BOTQCHMKWAFTCY-NWDGAFQWSA-N 0 3 281.381 1.078 40 0 CDABHN C[C@H](c1cccc(Cl)c1)N(C)CCC(=O)NC(N)=O ZINC000048580992 391478548 /nfs/dbraw/zinc/47/85/48/391478548.db2.gz NRUNZICSOXYPCE-SECBINFHSA-N 0 3 283.759 1.918 40 0 CDABHN CN(C)CCOCCOC(=O)Nc1ccccc1 ZINC000005535381 170109879 /nfs/dbraw/zinc/10/98/79/170109879.db2.gz FAWUCOQSQCIOIB-UHFFFAOYSA-N 0 3 252.314 1.813 40 0 CDABHN O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 ZINC000006423017 170200031 /nfs/dbraw/zinc/20/00/31/170200031.db2.gz MGSFDURHEMGIML-HNNXBMFYSA-N 0 3 273.380 1.916 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022174870 171369639 /nfs/dbraw/zinc/36/96/39/171369639.db2.gz SDSLHHOEKIAOFX-ZOWXZIJZSA-N 0 3 264.369 1.804 40 0 CDABHN Brc1ccccc1C[C@H]1CNCCO1 ZINC000071577319 176205552 /nfs/dbraw/zinc/20/55/52/176205552.db2.gz SFTMNWLAZLCRRN-JTQLQIEISA-N 0 3 256.143 1.980 40 0 CDABHN CNC(=O)[C@@]1(C)CCCN(Cc2cccnc2NC)C1 ZINC000072346331 176373252 /nfs/dbraw/zinc/37/32/52/176373252.db2.gz CIZJFBZLCSFQCQ-HNNXBMFYSA-N 0 3 276.384 1.471 40 0 CDABHN CO[C@H]1CN(Cc2cnc[nH]2)CC[C@@]12CCCO2 ZINC000257233441 277343972 /nfs/dbraw/zinc/34/39/72/277343972.db2.gz GPGMWJYTDYWCMQ-STQMWFEESA-N 0 3 251.330 1.180 40 0 CDABHN NC(=O)c1c[nH]nc1[C@H]1CCCN1C1CCCCC1 ZINC000072356701 295169774 /nfs/dbraw/zinc/16/97/74/295169774.db2.gz SPGKSVPHFFSEKF-GFCCVEGCSA-N 0 3 262.357 1.978 40 0 CDABHN COc1ccc(Cl)cc1N1CC[C@H](CN)S1(=O)=O ZINC000260788387 328069224 /nfs/dbraw/zinc/06/92/24/328069224.db2.gz ZQGNLHAVYVMJLB-SECBINFHSA-N 0 3 290.772 1.216 40 0 CDABHN CN1CCC(C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000074713431 567903861 /nfs/dbraw/zinc/90/38/61/567903861.db2.gz QNBDWUQJXAWNSB-UHFFFAOYSA-N 0 3 276.336 1.738 40 0 CDABHN Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(CC3CC3)C2)n1 ZINC000096057637 185078111 /nfs/dbraw/zinc/07/81/11/185078111.db2.gz JKYKMEWNVGMOKB-YNEHKIRRSA-N 0 3 263.341 1.735 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@@H]2OC ZINC000096109408 185099251 /nfs/dbraw/zinc/09/92/51/185099251.db2.gz NWLPRWALAPKJFG-MJBXVCDLSA-N 0 3 295.452 1.993 40 0 CDABHN CO[C@@H]1CCN(C(C)=O)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096108592 185099638 /nfs/dbraw/zinc/09/96/38/185099638.db2.gz MFYKBMBQZHAKGG-ARFHVFGLSA-N 0 3 289.379 1.149 40 0 CDABHN OC[C@@H]1CCn2nccc2CN1CCc1ccccc1 ZINC000585097386 342211522 /nfs/dbraw/zinc/21/15/22/342211522.db2.gz KOVSWBFZOVPGIX-INIZCTEOSA-N 0 3 271.364 1.692 40 0 CDABHN OCCN1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 ZINC000585275137 342256046 /nfs/dbraw/zinc/25/60/46/342256046.db2.gz YCWVCOATISQDFS-TZMCWYRMSA-N 0 3 253.317 1.043 40 0 CDABHN CN1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1 ZINC000248149794 362154417 /nfs/dbraw/zinc/15/44/17/362154417.db2.gz SWLNAXYLFHIWSB-CQSZACIVSA-N 0 3 284.363 1.261 40 0 CDABHN CCN1CCC[C@](C)(c2nncn2CCOC)C1 ZINC000205703106 343342116 /nfs/dbraw/zinc/34/21/16/343342116.db2.gz JYAGAJYGLASLHM-ZDUSSCGKSA-N 0 3 252.362 1.298 40 0 CDABHN COc1ccc(C2CCN(CCOCCO)CC2)cc1 ZINC000074992522 366144838 /nfs/dbraw/zinc/14/48/38/366144838.db2.gz RVQMQQKZTLVSMV-UHFFFAOYSA-N 0 3 279.380 1.884 40 0 CDABHN CN(C)CCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 ZINC000408710094 356092374 /nfs/dbraw/zinc/09/23/74/356092374.db2.gz OLTYYMJMSLWZDV-UHFFFAOYSA-N 0 3 297.443 1.385 40 0 CDABHN COC(=O)[C@H](C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648537 356316271 /nfs/dbraw/zinc/31/62/71/356316271.db2.gz QHQABJVSGUGKSW-GHMZBOCLSA-N 0 3 286.372 1.395 40 0 CDABHN CC(C)(C)OC(=O)NCCCN1CCSCC1 ZINC000014982971 356402406 /nfs/dbraw/zinc/40/24/06/356402406.db2.gz QVZMLMSBIIYLTK-UHFFFAOYSA-N 0 3 260.403 1.950 40 0 CDABHN O=c1cc(-c2cccnc2)nc(C2CC[NH2+]CC2)[n-]1 ZINC000019340371 356480627 /nfs/dbraw/zinc/48/06/27/356480627.db2.gz OVQDHDLNINUBAX-UHFFFAOYSA-N 0 3 256.309 1.299 40 0 CDABHN [NH3+][C@@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000019369259 356483228 /nfs/dbraw/zinc/48/32/28/356483228.db2.gz HXGRFEYEFSYRLH-ZDUSSCGKSA-N 0 3 255.321 1.890 40 0 CDABHN Cc1cc(Cl)ccc1NC(=O)CN1CCNCC1 ZINC000019797590 356504876 /nfs/dbraw/zinc/50/48/76/356504876.db2.gz IEHODXWLONMQLF-UHFFFAOYSA-N 0 3 267.760 1.492 40 0 CDABHN CCOc1ccc(CNCCN(C)C)cc1OC ZINC000020083575 356525137 /nfs/dbraw/zinc/52/51/37/356525137.db2.gz YELOUIRHGHCRCJ-UHFFFAOYSA-N 0 3 252.358 1.745 40 0 CDABHN CC(C)(C)OC(=O)N1CC[C@@H](CN(C(=O)CN)C2CC2)C1 ZINC000079391143 356988361 /nfs/dbraw/zinc/98/83/61/356988361.db2.gz RVRLDHCVUBDXCH-LLVKDONJSA-N 0 3 297.399 1.193 40 0 CDABHN CCOc1cccc(NC(=S)NCCN(C)C)c1 ZINC000054971759 357327024 /nfs/dbraw/zinc/32/70/24/357327024.db2.gz PCLAXFYMLSBHOU-UHFFFAOYSA-N 0 3 267.398 1.933 40 0 CDABHN NC(=O)CCN1CCC[C@@H](n2c3ccccc3oc2=O)C1 ZINC000019376624 283285151 /nfs/dbraw/zinc/28/51/51/283285151.db2.gz YNNYGEDCBGYQTQ-LLVKDONJSA-N 0 3 289.335 1.107 40 0 CDABHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096053988 358707356 /nfs/dbraw/zinc/70/73/56/358707356.db2.gz UXVKNOXADYTQTN-OKILXGFUSA-N 0 3 284.363 1.946 40 0 CDABHN O=C(c1ccoc1)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000096184401 358713809 /nfs/dbraw/zinc/71/38/09/358713809.db2.gz FIRYUCAQLJVBMH-UONOGXRCSA-N 0 3 260.337 1.978 40 0 CDABHN Cn1cc(CN2CC[C@@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200002 358717103 /nfs/dbraw/zinc/71/71/03/358717103.db2.gz BVOSDTKYWWFVBU-JKSUJKDBSA-N 0 3 271.364 1.598 40 0 CDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccccn1)CC2 ZINC000096208127 358720108 /nfs/dbraw/zinc/72/01/08/358720108.db2.gz AFLTYXRYZDIBLA-CQSZACIVSA-N 0 3 289.379 1.056 40 0 CDABHN CN1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228726 358724187 /nfs/dbraw/zinc/72/41/87/358724187.db2.gz MOQYKUIQOPVYGD-OAHLLOKOSA-N 0 3 294.420 1.933 40 0 CDABHN CCOc1ncnc2c1CCN(C[C@@H]1CCOC1)CC2 ZINC000096255622 358728451 /nfs/dbraw/zinc/72/84/51/358728451.db2.gz SGRRXIQNHOUGRS-LBPRGKRZSA-N 0 3 277.368 1.312 40 0 CDABHN O=C([C@@H]1CCCN(C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097816 366523301 /nfs/dbraw/zinc/52/33/01/366523301.db2.gz PDGPTTPQFVCBMQ-CHWSQXEVSA-N 0 3 252.358 1.110 40 0 CDABHN CN(C)CCOc1ccc(NC(=O)C2(C)CC2)cn1 ZINC000225930971 359633721 /nfs/dbraw/zinc/63/37/21/359633721.db2.gz YFKNFQASXYDPPF-UHFFFAOYSA-N 0 3 263.341 1.761 40 0 CDABHN CC(C)CN1CC2(C1)CN(CC(C)C)C[C@H]1C[C@@H](O)CN12 ZINC000514290055 360126487 /nfs/dbraw/zinc/12/64/87/360126487.db2.gz SCZWLYRQCAFKJC-HZPDHXFCSA-N 0 3 295.471 1.104 40 0 biogenic,in-vitro CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079409214 284193321 /nfs/dbraw/zinc/19/33/21/284193321.db2.gz PLLZKTLSVDYYFT-VXGBXAGGSA-N 0 3 299.415 1.630 40 0 CDABHN CCN(CC)C(=O)[C@H](N)Cc1ccc(OC)cc1 ZINC000001594223 373656986 /nfs/dbraw/zinc/65/69/86/373656986.db2.gz PATHQBZMXUMEQX-CYBMUJFWSA-N 0 3 250.342 1.433 40 0 CDABHN Cc1nn(C(C)C)cc1CNCCN1CCOCC1 ZINC000256051359 190003924 /nfs/dbraw/zinc/00/39/24/190003924.db2.gz IWDZCKFEIQUERH-UHFFFAOYSA-N 0 3 266.389 1.194 40 0 CDABHN CCOCCN1CCNC[C@@H]1c1cccc(C(=O)NC)c1 ZINC000257205089 190011645 /nfs/dbraw/zinc/01/16/45/190011645.db2.gz AXPOXSDTPHRJMF-OAHLLOKOSA-N 0 3 291.395 1.029 40 0 CDABHN Cc1nc([C@@H]2CCCN2)ncc1C(=O)N1CCCC1 ZINC000257329816 190035177 /nfs/dbraw/zinc/03/51/77/190035177.db2.gz XLQKVMRVFAVPJY-LBPRGKRZSA-N 0 3 260.341 1.446 40 0 CDABHN Cn1ccc(CN2CCNC[C@H]2c2ccccc2)n1 ZINC000212045367 376210572 /nfs/dbraw/zinc/21/05/72/376210572.db2.gz GZYMBJGNCRHUEQ-HNNXBMFYSA-N 0 3 256.353 1.567 40 0 CDABHN O=c1[nH]c(CN2CCN3CCCC[C@@H]3C2)nc2ccccc21 ZINC000019375876 285195914 /nfs/dbraw/zinc/19/59/14/285195914.db2.gz YGKOGHZPEDWOCB-CYBMUJFWSA-N 0 3 298.390 1.593 40 0 CDABHN CCCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019501322 390228018 /nfs/dbraw/zinc/22/80/18/390228018.db2.gz MLBLDUBTKYNPHL-GFCCVEGCSA-N 0 3 288.395 1.628 40 0 CDABHN CC(C)N(C(=O)CN)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404233 390421857 /nfs/dbraw/zinc/42/18/57/390421857.db2.gz NMKRVFOOXZLMGU-OAHLLOKOSA-N 0 3 275.396 1.457 40 0 CDABHN CC(C)OC(=O)[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096510353 390530520 /nfs/dbraw/zinc/53/05/20/390530520.db2.gz OYZYEXJAVIGOIB-QWRGUYRKSA-N 0 3 286.372 1.441 40 0 CDABHN CN1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072225536 390624038 /nfs/dbraw/zinc/62/40/38/390624038.db2.gz VDSCHGWBYUKGNE-KRWDZBQOSA-N 0 3 282.391 1.882 40 0 CDABHN N[C@H](c1ccccc1)c1ccc(N2CCN(C=O)CC2)nc1 ZINC000072225599 390626005 /nfs/dbraw/zinc/62/60/05/390626005.db2.gz VDGRHSHRYBZJCC-QGZVFWFLSA-N 0 3 296.374 1.408 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(Cc3ccco3)C[C@@H]2O1 ZINC000096100352 390912851 /nfs/dbraw/zinc/91/28/51/390912851.db2.gz NXLFMCSINWGIMO-BNOWGMLFSA-N 0 3 250.342 1.431 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@]1(CN)COC ZINC000252514493 392796914 /nfs/dbraw/zinc/79/69/14/392796914.db2.gz CPXWCVFFZLXJNZ-MJBXVCDLSA-N 0 3 283.393 1.179 40 0 CDABHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OC ZINC000008535051 170339387 /nfs/dbraw/zinc/33/93/87/170339387.db2.gz CAKDXOPUIMVDAY-MRVPVSSYSA-N 0 3 259.733 1.828 40 0 CDABHN CN(C)CCNC(=O)CCc1ccc(Cl)cc1 ZINC000053754449 175550870 /nfs/dbraw/zinc/55/08/70/175550870.db2.gz OECOJTUJBHBKQO-UHFFFAOYSA-N 0 3 254.761 1.950 40 0 CDABHN Cc1nc(NC[C@H]2CCCO2)nc2c1CN(C)CC2 ZINC000072415033 176399366 /nfs/dbraw/zinc/39/93/66/176399366.db2.gz ZQQLVEOONZGEMR-LLVKDONJSA-N 0 3 262.357 1.364 40 0 CDABHN CCN1CCO[C@@H]2CN(C(=O)C3CCSCC3)C[C@@H]2C1 ZINC000096107964 276391121 /nfs/dbraw/zinc/39/11/21/276391121.db2.gz NKUWNAHFGIPVFM-UONOGXRCSA-N 0 3 298.452 1.309 40 0 CDABHN C[C@H](N)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391226 289762675 /nfs/dbraw/zinc/76/26/75/289762675.db2.gz ZBQJGAKWEWGQMJ-JTQLQIEISA-N 0 3 285.388 1.192 40 0 CDABHN COC(=O)[C@@H]1C[C@H](N(C)C)CN1C(=O)OC(C)(C)C ZINC000078460109 1172561533 /nfs/dbraw/zinc/56/15/33/1172561533.db2.gz SMLZXOORJOZFSC-UWVGGRQHSA-N 0 3 272.345 1.099 40 0 CDABHN CN1CCC2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096046714 185071688 /nfs/dbraw/zinc/07/16/88/185071688.db2.gz PDPNVKMBFMQYOX-UHFFFAOYSA-N 0 3 259.353 1.526 40 0 CDABHN O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000096055826 185076733 /nfs/dbraw/zinc/07/67/33/185076733.db2.gz GEKQVFSDEGUEDH-OLZOCXBDSA-N 0 3 270.398 1.037 40 0 CDABHN O[C@H]1CCN(Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061637 185083012 /nfs/dbraw/zinc/08/30/12/185083012.db2.gz KRYXOFLSEHCEET-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN CCN1CCO[C@@H]2CN(C(=O)C3(F)CCC3)CC[C@@H]2C1 ZINC000585107890 342213251 /nfs/dbraw/zinc/21/32/51/342213251.db2.gz BDFCNYKOZPUHPY-CHWSQXEVSA-N 0 3 284.375 1.448 40 0 CDABHN COc1cccc([C@@H](CO)N2CCCC2)c1OC ZINC000070453273 361970984 /nfs/dbraw/zinc/97/09/84/361970984.db2.gz ZPAOHEAMKXZJSP-GFCCVEGCSA-N 0 3 251.326 1.833 40 0 CDABHN C[C@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000158161764 342228112 /nfs/dbraw/zinc/22/81/12/342228112.db2.gz DKNDZVLRTNWHBR-NSHDSACASA-N 0 3 280.343 1.681 40 0 CDABHN Cc1cccc(OC[C@]2(O)COCCN(C(C)C)C2)c1 ZINC000585269110 342254574 /nfs/dbraw/zinc/25/45/74/342254574.db2.gz KDIZVAKGTCESJY-MRXNPFEDSA-N 0 3 279.380 1.846 40 0 CDABHN CC(C)C[C@@H](C(=O)[O-])N1CCC([NH2+]C(C)C)CC1 ZINC000629487263 362101526 /nfs/dbraw/zinc/10/15/26/362101526.db2.gz AIDKOOWAPGDJJH-ZDUSSCGKSA-N 0 3 256.390 1.948 40 0 CDABHN CCC(=O)N1CCC[C@H]1c1nc(CNC)cc(NC)n1 ZINC000019759261 345470549 /nfs/dbraw/zinc/47/05/49/345470549.db2.gz GZAKPFSTERPMSF-NSHDSACASA-N 0 3 277.372 1.311 40 0 CDABHN Cc1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)s1 ZINC000205682868 348744203 /nfs/dbraw/zinc/74/42/03/348744203.db2.gz VMKFHOQFYUOYFG-ZDUSSCGKSA-N 0 3 268.382 1.195 40 0 CDABHN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](C)N)cc1 ZINC000158072360 188355358 /nfs/dbraw/zinc/35/53/58/188355358.db2.gz OJNXTMLMAPIJER-VXGBXAGGSA-N 0 3 264.369 1.679 40 0 CDABHN Ic1cccc2c1CCNC2 ZINC000016082962 283041176 /nfs/dbraw/zinc/04/11/76/283041176.db2.gz DQGWRQLZWSUIDO-UHFFFAOYSA-N 0 3 259.090 1.937 40 0 CDABHN CCN(CC)CCOC(=O)c1cc(N)cc(N)c1 ZINC000001669880 355946354 /nfs/dbraw/zinc/94/63/54/355946354.db2.gz GAJMTQVCEKEYRG-UHFFFAOYSA-N 0 3 251.330 1.350 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527289 356490837 /nfs/dbraw/zinc/49/08/37/356490837.db2.gz CHGXFUTUWXSWOM-LBPRGKRZSA-N 0 3 276.384 1.891 40 0 CDABHN Cc1nn(C)cc1CN1CC[C@H](C(=O)NC2CCCC2)C1 ZINC000019747829 356499573 /nfs/dbraw/zinc/49/95/73/356499573.db2.gz XDBBLMJVEAPQEX-ZDUSSCGKSA-N 0 3 290.411 1.609 40 0 CDABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391281 356988049 /nfs/dbraw/zinc/98/80/49/356988049.db2.gz DNZUMHRVRWWGMX-RYUDHWBXSA-N 0 3 299.415 1.580 40 0 CDABHN CN(CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391641 356988266 /nfs/dbraw/zinc/98/82/66/356988266.db2.gz LIJSBXINQWNNDR-HNNXBMFYSA-N 0 3 292.379 1.712 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@H]1CCCN1C(=O)CN)C1CC1 ZINC000079409356 356992578 /nfs/dbraw/zinc/99/25/78/356992578.db2.gz GYKITJIYJNGCIM-GFCCVEGCSA-N 0 3 297.399 1.336 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1cncs1)C(C)C ZINC000079422179 356996515 /nfs/dbraw/zinc/99/65/15/356996515.db2.gz SXFINVOFSUTFQE-NSHDSACASA-N 0 3 255.387 1.863 40 0 CDABHN CCN(CC)Cn1cnc2c1ncnc2SC ZINC000020076577 358321693 /nfs/dbraw/zinc/32/16/93/358321693.db2.gz FSOZDRLIXHSVIJ-UHFFFAOYSA-N 0 3 251.359 1.848 40 0 CDABHN Cc1occc1C(=O)N1CCC2(C[C@@H](N(C)C)CO2)CC1 ZINC000096158622 358710172 /nfs/dbraw/zinc/71/01/72/358710172.db2.gz VGXKPOQGLRVFEU-CYBMUJFWSA-N 0 3 292.379 1.913 40 0 CDABHN C[C@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161628 358711260 /nfs/dbraw/zinc/71/12/60/358711260.db2.gz XBCJMRRVTVSQLB-AYDFFVQHSA-N 0 3 285.391 1.628 40 0 CDABHN COc1ccc(CN2CCC3(CC2)COCCN3C)cn1 ZINC000096226152 358723383 /nfs/dbraw/zinc/72/33/83/358723383.db2.gz OPCYCZSUSACCGR-UHFFFAOYSA-N 0 3 291.395 1.387 40 0 CDABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1Cc1cccnc1 ZINC000096245074 358724742 /nfs/dbraw/zinc/72/47/42/358724742.db2.gz ZIYKRVCWFOWSOY-HOTGVXAUSA-N 0 3 297.358 1.765 40 0 CDABHN CN(C)c1ncc2c(n1)[C@@]1(CCN(CC3CC3)C1)COC2 ZINC000096244020 358724927 /nfs/dbraw/zinc/72/49/27/358724927.db2.gz FJBXXAKOQRGVSI-MRXNPFEDSA-N 0 3 288.395 1.426 40 0 CDABHN CC(C)CN1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253366 358727702 /nfs/dbraw/zinc/72/77/02/358727702.db2.gz VKBXFEDQHZJTOT-QLFBSQMISA-N 0 3 289.379 1.765 40 0 CDABHN c1ccc2nc(N3CCNCC3)c(NC3CC3)nc2c1 ZINC000044029868 367279091 /nfs/dbraw/zinc/27/90/91/367279091.db2.gz QEIYOANJSXZMMR-UHFFFAOYSA-N 0 3 269.352 1.614 40 0 CDABHN COCc1noc([C@H](C)N2CCN(C3CC3)C[C@H](C)C2)n1 ZINC000333449450 205329754 /nfs/dbraw/zinc/32/97/54/205329754.db2.gz RKEPFNQLFHPMRT-NEPJUHHUSA-N 0 3 294.399 1.693 40 0 CDABHN CN(C)C(=O)C(C)(C)NC[C@H](O)c1ccc(F)c(F)c1 ZINC000079311406 374272503 /nfs/dbraw/zinc/27/25/03/374272503.db2.gz MELOUVJEMZYUSL-LBPRGKRZSA-N 0 3 286.322 1.455 40 0 CDABHN [NH3+]CC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000225477510 374483968 /nfs/dbraw/zinc/48/39/68/374483968.db2.gz KPIHQYPRJADZIC-UHFFFAOYSA-N 0 3 290.797 1.792 40 0 CDABHN CC(C)CCOCCN1CCC[C@@H](N2CCNC2=O)C1 ZINC000079355219 374795780 /nfs/dbraw/zinc/79/57/80/374795780.db2.gz KGMBOMOHSGPTHB-CQSZACIVSA-N 0 3 283.416 1.539 40 0 CDABHN Cc1nn(C2CCCC2)cc1CNCCN1CCOCC1 ZINC000256049572 190002130 /nfs/dbraw/zinc/00/21/30/190002130.db2.gz AMGVWPZPBGDNJJ-UHFFFAOYSA-N 0 3 292.427 1.728 40 0 CDABHN Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N(C)C)C3)ccc2o1 ZINC000257208333 190012289 /nfs/dbraw/zinc/01/22/89/190012289.db2.gz BLSPYKCXZJUQFG-ZIAGYGMSSA-N 0 3 288.347 1.488 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2cccs2)C1 ZINC000257240478 190018600 /nfs/dbraw/zinc/01/86/00/190018600.db2.gz HTRKNVNTDLUFKI-AWEZNQCLSA-N 0 3 282.409 1.206 40 0 CDABHN CCCS(=O)(=O)N1CC[C@@H](c2cc(NC)cc(C)n2)C1 ZINC000257247054 190019500 /nfs/dbraw/zinc/01/95/00/190019500.db2.gz IXEUEOQJKSCDLJ-GFCCVEGCSA-N 0 3 297.424 1.961 40 0 CDABHN CN(C)Cc1cncc([C@@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257261757 190022082 /nfs/dbraw/zinc/02/20/82/190022082.db2.gz LIRVSWMKLMCSBC-HNNXBMFYSA-N 0 3 286.383 1.598 40 0 CDABHN CCOC[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990307 375771863 /nfs/dbraw/zinc/77/18/63/375771863.db2.gz DAQSKKYMPSSIME-KGLIPLIRSA-N 0 3 283.393 1.523 40 0 CDABHN CNc1cccc([C@H]2CN(Cc3cn[nH]c3C)CCO2)n1 ZINC000257280420 190025616 /nfs/dbraw/zinc/02/56/16/190025616.db2.gz OKTMBDMLXNHYAH-CQSZACIVSA-N 0 3 287.367 1.728 40 0 CDABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)C2(CN)CN)cc1 ZINC000218396300 375828128 /nfs/dbraw/zinc/82/81/28/375828128.db2.gz CNRMZWACIZSSRP-KBPBESRZSA-N 0 3 296.436 1.053 40 0 CDABHN Cc1ccnc([C@@H]2CCN(CC3(O)CCOCC3)C2)n1 ZINC000257299134 190029320 /nfs/dbraw/zinc/02/93/20/190029320.db2.gz ROVZHXDGBVKAMS-CYBMUJFWSA-N 0 3 277.368 1.116 40 0 CDABHN Cc1c(CN2CCC[C@@H](c3ccncn3)C2)cnn1C ZINC000257336607 190036699 /nfs/dbraw/zinc/03/66/99/190036699.db2.gz YPEUMEWRLKIDQB-CYBMUJFWSA-N 0 3 271.368 1.898 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)c1cccnc1OC ZINC000039335852 377465992 /nfs/dbraw/zinc/46/59/92/377465992.db2.gz HKJIKRVMMOKAKM-LLVKDONJSA-N 0 3 263.341 1.304 40 0 CDABHN COc1ccc(O[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000010111698 533031217 /nfs/dbraw/zinc/03/12/17/533031217.db2.gz QTJGZUSXMDSQDO-LLVKDONJSA-N 0 3 266.341 1.140 40 0 CDABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000242548277 390862398 /nfs/dbraw/zinc/86/23/98/390862398.db2.gz LHCVXGXKSRWKQN-BFHYXJOUSA-N 0 3 283.393 1.097 40 0 CDABHN CC[C@H](CO)N1CCN(CCC(F)(F)F)CC1 ZINC000075961323 390946074 /nfs/dbraw/zinc/94/60/74/390946074.db2.gz FZDXZKXLZIBLRD-SNVBAGLBSA-N 0 3 254.296 1.327 40 0 CDABHN COc1ccccc1NC(=O)CCN1CCN(C)CC1 ZINC000019590030 391324354 /nfs/dbraw/zinc/32/43/54/391324354.db2.gz RJIUTXJLYMTQDB-UHFFFAOYSA-N 0 3 277.368 1.271 40 0 CDABHN COC(=O)[C@@H]1C(=O)C[C@H]2N(C)[C@@H]1C(C)(C)C2(C)C ZINC000005217828 170077121 /nfs/dbraw/zinc/07/71/21/170077121.db2.gz ZBUSBQXKKWHUNU-MXWKQRLJSA-N 0 3 253.342 1.483 40 0 CDABHN COC(=O)C1C(=O)C[C@H]2N(C)[C@@H]1C(C)(C)C2(C)C ZINC000005217828 170077123 /nfs/dbraw/zinc/07/71/23/170077123.db2.gz ZBUSBQXKKWHUNU-MXWKQRLJSA-N 0 3 253.342 1.483 40 0 CDABHN CCN1CCN(C[C@@H](O)CO[C@H]2CCC[C@@H]2C)CC1 ZINC000020707537 171269903 /nfs/dbraw/zinc/26/99/03/171269903.db2.gz HOQJEEHSQKXMCX-ZNMIVQPWSA-N 0 3 270.417 1.190 40 0 CDABHN Cc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022521884 171389750 /nfs/dbraw/zinc/38/97/50/171389750.db2.gz UAOSGRGWXUGBJZ-UHFFFAOYSA-N 0 3 289.423 1.291 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079417734 277956363 /nfs/dbraw/zinc/95/63/63/277956363.db2.gz CDMZWCASOCCJIS-UHTWSYAYSA-N 0 3 269.389 1.018 40 0 CDABHN C[C@@H](NC(=O)C1CN(C2CCCCC2)C1)c1csnn1 ZINC000334006007 278320716 /nfs/dbraw/zinc/32/07/16/278320716.db2.gz UCTLGZWWHKPGPF-SNVBAGLBSA-N 0 3 294.424 1.980 40 0 CDABHN CCNc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717577 327914863 /nfs/dbraw/zinc/91/48/63/327914863.db2.gz RRCZHICEDNLAKH-UHFFFAOYSA-N 0 3 277.372 1.011 40 0 CDABHN Cc1cccc(C(C)C)c1N1CC[C@H](CN)S1(=O)=O ZINC000260763049 328066730 /nfs/dbraw/zinc/06/67/30/328066730.db2.gz IFXHXEJYWMKXHF-GFCCVEGCSA-N 0 3 282.409 1.986 40 0 CDABHN Cn1nccc1CN1C[C@@H]2[C@@H](Cc3cnccn3)CC[C@@H]2C1 ZINC000257245191 570324361 /nfs/dbraw/zinc/32/43/61/570324361.db2.gz IOLUPZHMYNRIBN-CKEIUWERSA-N 0 3 297.406 1.911 40 0 CDABHN CO[C@@H](CN)C(=O)N1CCc2ccc(Cl)c(C)c2C1 ZINC001548449088 969510953 /nfs/dbraw/zinc/51/09/53/969510953.db2.gz RPNFFBLHSBASJA-ZDUSSCGKSA-N 0 3 282.771 1.507 40 0 CDABHN CN(C)CCNCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000022588040 282105743 /nfs/dbraw/zinc/10/57/43/282105743.db2.gz YZSVAYINXVRVOL-UHFFFAOYSA-N 0 3 279.428 1.223 40 0 CDABHN CCOC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039320 185069080 /nfs/dbraw/zinc/06/90/80/185069080.db2.gz WPFGANVDWNSCQZ-HOTGVXAUSA-N 0 3 293.411 1.828 40 0 CDABHN c1ncc(O[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)cn1 ZINC000096055017 185075780 /nfs/dbraw/zinc/07/57/80/185075780.db2.gz GIZHOTULGCNHQK-UONOGXRCSA-N 0 3 274.368 1.024 40 0 CDABHN c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CC2)nc1 ZINC000096055284 185076784 /nfs/dbraw/zinc/07/67/84/185076784.db2.gz JMZBQEXKEWXMMM-SOUVJXGZSA-N 0 3 289.379 1.745 40 0 CDABHN COCC[C@@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073419 185087728 /nfs/dbraw/zinc/08/77/28/185087728.db2.gz CIRNHUGSLSPKBC-DZGCQCFKSA-N 0 3 279.384 1.817 40 0 CDABHN CO[C@@H]1COC[C@@H](N(C)Cc2cccc(C)c2)[C@@H]1O ZINC000585290801 342258855 /nfs/dbraw/zinc/25/88/55/342258855.db2.gz GIVDWALOIOQFDQ-KFWWJZLASA-N 0 3 265.353 1.202 40 0 CDABHN CCOc1cncc(CN[C@@H]2CCc3nnc(C)n3C2)c1 ZINC000621331513 350548309 /nfs/dbraw/zinc/54/83/09/350548309.db2.gz DFXULHPAACHPQS-CYBMUJFWSA-N 0 3 287.367 1.485 40 0 CDABHN Cc1nc2cccc3nc(NCCCN(C)C)nc(n1)-n-2-3 ZINC000001589314 355940930 /nfs/dbraw/zinc/94/09/30/355940930.db2.gz BZUWGWNTHLPUMI-UHFFFAOYSA-N 0 3 285.355 1.272 40 0 CDABHN CN1C(=O)NC(=O)C12CCN(Cc1ccccc1)CC2 ZINC000031672211 356768668 /nfs/dbraw/zinc/76/86/68/356768668.db2.gz UHLKFGBUOFGIOI-UHFFFAOYSA-N 0 3 273.336 1.407 40 0 CDABHN CN(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390834 356988711 /nfs/dbraw/zinc/98/87/11/356988711.db2.gz LADUAHKPGKUSMG-MNOVXSKESA-N 0 3 285.388 1.239 40 0 CDABHN NCC(=O)N(Cc1ccc(Br)nc1)C1CC1 ZINC000079421528 358069720 /nfs/dbraw/zinc/06/97/20/358069720.db2.gz NIGBBHYKTSEDGC-UHFFFAOYSA-N 0 3 284.157 1.294 40 0 CDABHN CCN(CC)[C@@H]1CN(Cc2nccn2C)[C@@H]2CCCO[C@H]12 ZINC000096185777 358714094 /nfs/dbraw/zinc/71/40/94/358714094.db2.gz UWYAHQSYUOKUBW-FMKPAKJESA-N 0 3 292.427 1.494 40 0 CDABHN Cc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)o1 ZINC000096196778 358716044 /nfs/dbraw/zinc/71/60/44/358716044.db2.gz UVIZLBSHVLAPGK-UHFFFAOYSA-N 0 3 288.395 1.904 40 0 CDABHN CN1CCC(NC(=S)Nc2ccncc2)CC1 ZINC000225800600 359617559 /nfs/dbraw/zinc/61/75/59/359617559.db2.gz XJDNZOALBOWTSS-UHFFFAOYSA-N 0 3 250.371 1.462 40 0 CDABHN CN(C)CCNC(=O)c1ccc2nc(Cl)n(C)c2c1 ZINC000225987756 359638372 /nfs/dbraw/zinc/63/83/72/359638372.db2.gz XOFRNSDDYRVKMT-UHFFFAOYSA-N 0 3 280.759 1.518 40 0 CDABHN NC[C@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000019861907 367280541 /nfs/dbraw/zinc/28/05/41/367280541.db2.gz DIQWWAXKNBUECM-GFCCVEGCSA-N 0 3 285.185 1.781 40 0 CDABHN Cc1cc(Cl)ccc1CN1CC[C@@H](C(N)=O)C1 ZINC000136136345 374172608 /nfs/dbraw/zinc/17/26/08/374172608.db2.gz IVLUNOPTXNRKMT-LLVKDONJSA-N 0 3 252.745 1.956 40 0 CDABHN O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccccc3)N2CCO)N1 ZINC000257219617 190014298 /nfs/dbraw/zinc/01/42/98/190014298.db2.gz DHLGNGNSHVEIQN-PMPSAXMXSA-N 0 3 288.391 1.853 40 0 CDABHN CN1CCC[C@@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271229 190024200 /nfs/dbraw/zinc/02/42/00/190024200.db2.gz MXKPKOLLMHJZRG-SNVBAGLBSA-N 0 3 262.313 1.242 40 0 CDABHN Cn1ccnc1-c1cncc([C@H]2CCCN(CCO)C2)n1 ZINC000257281998 190026424 /nfs/dbraw/zinc/02/64/24/190026424.db2.gz ORVNTMBFSXVKJB-LBPRGKRZSA-N 0 3 287.367 1.049 40 0 CDABHN COCCN1CCC[C@@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273740 190024665 /nfs/dbraw/zinc/02/46/65/190024665.db2.gz NIAIPFNEZUXILD-GFCCVEGCSA-N 0 3 287.367 1.693 40 0 CDABHN COc1ccccc1NC(=O)c1cc2c(nc1N)CCNC2 ZINC000257338630 190037172 /nfs/dbraw/zinc/03/71/72/190037172.db2.gz YYGLWKROADQGDW-UHFFFAOYSA-N 0 3 298.346 1.570 40 0 CDABHN CCOC(=O)[C@H]1CCNC[C@H]1NC(=O)OC(C)(C)C ZINC000096510335 390531089 /nfs/dbraw/zinc/53/10/89/390531089.db2.gz ICLFKLQIHHBWQG-VHSXEESVSA-N 0 3 272.345 1.052 40 0 CDABHN CCc1cccc(CC)c1N1CC[C@@H](CN)S1(=O)=O ZINC000222540959 391909915 /nfs/dbraw/zinc/90/99/15/391909915.db2.gz JIHHZJTYVFHSQG-ZDUSSCGKSA-N 0 3 282.409 1.679 40 0 CDABHN O=C(CN1CCCC1)N1CCNC[C@H]1c1ccccc1 ZINC000257317855 392978173 /nfs/dbraw/zinc/97/81/73/392978173.db2.gz VLMDQUFRIKUZJP-HNNXBMFYSA-N 0 3 273.380 1.255 40 0 CDABHN COc1ccc2c(c1)CC[C@H]1C2=CCS1(=O)=O ZINC000006411816 170199484 /nfs/dbraw/zinc/19/94/84/170199484.db2.gz DNMXHYZIDASADE-ZDUSSCGKSA-N 0 3 250.319 1.822 40 0 CDABHN COc1cc(CNC(C)(C)CO)cc(OC)c1OC ZINC000006883118 170252585 /nfs/dbraw/zinc/25/25/85/170252585.db2.gz NRABATIYOMACBO-UHFFFAOYSA-N 0 3 269.341 1.573 40 0 CDABHN COC(=O)[C@H](C)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622886 172304472 /nfs/dbraw/zinc/30/44/72/172304472.db2.gz QHQABJVSGUGKSW-MNOVXSKESA-N 0 3 286.372 1.395 40 0 CDABHN CN(Cc1cccc(Br)c1)C(=O)CN ZINC000038100066 174114997 /nfs/dbraw/zinc/11/49/97/174114997.db2.gz NHLZGDWKWCPWOB-UHFFFAOYSA-N 0 3 257.131 1.366 40 0 CDABHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000058040575 175606218 /nfs/dbraw/zinc/60/62/18/175606218.db2.gz BQKYUIMZWPVGFZ-LBPRGKRZSA-N 0 3 297.399 1.208 40 0 CDABHN OCCN1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355781 176374974 /nfs/dbraw/zinc/37/49/74/176374974.db2.gz MCXCFQXPQXTEJD-CQSZACIVSA-N 0 3 270.336 1.668 40 0 CDABHN O=C([C@@H]1CCCN(Cc2ccncc2)C1)N1CCCC1 ZINC000072367920 176382784 /nfs/dbraw/zinc/38/27/84/176382784.db2.gz KTEUFINUROLFFJ-OAHLLOKOSA-N 0 3 273.380 1.916 40 0 CDABHN CN1CCC[C@H](c2nccnc2NCC(F)F)C1 ZINC000072386922 176392788 /nfs/dbraw/zinc/39/27/88/176392788.db2.gz QETORALZVSLSHO-VIFPVBQESA-N 0 3 256.300 1.963 40 0 CDABHN Cc1cc(C)nc(NCCNCc2ccccn2)n1 ZINC000062717873 262301997 /nfs/dbraw/zinc/30/19/97/262301997.db2.gz OXKCDFJFMRREIX-UHFFFAOYSA-N 0 3 257.341 1.690 40 0 CDABHN O[C@@H]1C[C@H](c2ccncc2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000072321634 275055039 /nfs/dbraw/zinc/05/50/39/275055039.db2.gz LCROHDLYLNYRFC-QBPKDAKJSA-N 0 3 284.359 1.449 40 0 biogenic,in-vitro CDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096058276 277245113 /nfs/dbraw/zinc/24/51/13/277245113.db2.gz MFGGJYWYUWBNMD-HZSPNIEDSA-N 0 3 294.420 1.721 40 0 CDABHN CC(C)CC(=O)N1CC[C@@H]2[C@H](C1)CCCCN2CC(N)=O ZINC000257246073 277343539 /nfs/dbraw/zinc/34/35/39/277343539.db2.gz ISJDRMXWOVHQDK-UONOGXRCSA-N 0 3 295.427 1.221 40 0 CDABHN O=C(CN1CCCC1)N1CCNC[C@@H]1c1ccccc1 ZINC000257317856 295498592 /nfs/dbraw/zinc/49/85/92/295498592.db2.gz VLMDQUFRIKUZJP-OAHLLOKOSA-N 0 3 273.380 1.255 40 0 CDABHN COCCN1CC[C@H]2CN(Cc3ccoc3)C[C@@H]2C1=O ZINC000096054611 185075488 /nfs/dbraw/zinc/07/54/88/185075488.db2.gz ZVMKTLDEFJZKHF-KBPBESRZSA-N 0 3 278.352 1.206 40 0 CDABHN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccs1 ZINC000096056486 185077702 /nfs/dbraw/zinc/07/77/02/185077702.db2.gz JYDBKOJEYOWZFZ-ZIAGYGMSSA-N 0 3 294.420 1.960 40 0 CDABHN O[C@H]1CCN(Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061635 185083057 /nfs/dbraw/zinc/08/30/57/185083057.db2.gz ZPQHUGZRGSXEFD-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN Cc1ccc(CN[C@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096067514 185085035 /nfs/dbraw/zinc/08/50/35/185085035.db2.gz SZQMQYZLZHHUSX-LBPRGKRZSA-N 0 3 258.321 1.923 40 0 CDABHN CO[C@@]1(COc2ccc(F)cc2)CCCN(C(=O)CN)C1 ZINC000585275047 342256043 /nfs/dbraw/zinc/25/60/43/342256043.db2.gz UXDSNBVZHWEQNK-HNNXBMFYSA-N 0 3 296.342 1.171 40 0 CDABHN CNCC(=O)N1CC[C@H](Cc2ccc(F)cc2)[C@H](OC)C1 ZINC000585279108 342256595 /nfs/dbraw/zinc/25/65/95/342256595.db2.gz TXBDZQRQTYUPQB-UKRRQHHQSA-N 0 3 294.370 1.451 40 0 CDABHN CN(C)C(=O)[C@]1(C)CN(CC2(O)CCCCCC2)CCO1 ZINC000585282921 342258519 /nfs/dbraw/zinc/25/85/19/342258519.db2.gz JTANTOXNTBKEJW-HNNXBMFYSA-N 0 3 298.427 1.251 40 0 CDABHN CC[C@H](O)[C@@H]1CCCCN1CCN1CCOC1=O ZINC000076325337 362102011 /nfs/dbraw/zinc/10/20/11/362102011.db2.gz PHRBDCPEMDIBGR-RYUDHWBXSA-N 0 3 256.346 1.064 40 0 CDABHN Cc1nccc(CN2CCNC[C@@H]2c2ccccc2)n1 ZINC000086177593 179246387 /nfs/dbraw/zinc/24/63/87/179246387.db2.gz SDJNAZZYQAAHLC-MRXNPFEDSA-N 0 3 268.364 1.932 40 0 CDABHN OC[C@@H]1C[C@H](NCc2ccc(F)cc2F)C[C@@H]1O ZINC000107286167 186166189 /nfs/dbraw/zinc/16/61/89/186166189.db2.gz OLNZAZVQTPDZEU-GAFUQQFSSA-N 0 3 257.280 1.186 40 0 CDABHN c1ccc(-c2nnn(CCN3CCCCC3)n2)cc1 ZINC000001669986 355946075 /nfs/dbraw/zinc/94/60/75/355946075.db2.gz HLQDIPIJVPRKHZ-UHFFFAOYSA-N 0 3 257.341 1.826 40 0 in-vitro CDABHN CC(C)N(Cc1nccnc1Cl)C(=O)[C@H](C)N ZINC000079435772 356996133 /nfs/dbraw/zinc/99/61/33/356996133.db2.gz RVNVPWMVMPVSED-QMMMGPOBSA-N 0 3 256.737 1.214 40 0 CDABHN c1ccc(Nc2cc(N3CCNCC3)ncn2)cc1 ZINC000026442179 358763224 /nfs/dbraw/zinc/76/32/24/358763224.db2.gz CKAOROPICIJWOS-UHFFFAOYSA-N 0 3 255.325 1.630 40 0 CDABHN CN1CCC2(CCOC[C@@H]2NC(=O)c2ccccc2)CC1 ZINC000096215960 358721486 /nfs/dbraw/zinc/72/14/86/358721486.db2.gz TXXVCQLWKNXYFA-HNNXBMFYSA-N 0 3 288.391 1.917 40 0 CDABHN CCN1CC[C@@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244446 358725055 /nfs/dbraw/zinc/72/50/55/358725055.db2.gz IKYWVZIEWBTCAP-OAHLLOKOSA-N 0 3 276.384 1.345 40 0 CDABHN COCCN1CCCn2cnc(CNC3CCCC3)c2C1 ZINC000096259417 358728310 /nfs/dbraw/zinc/72/83/10/358728310.db2.gz LGPFZIOHRHWWST-UHFFFAOYSA-N 0 3 292.427 1.767 40 0 CDABHN Cc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1C ZINC000222540611 359352705 /nfs/dbraw/zinc/35/27/05/359352705.db2.gz KPJBVYJNFSOEQJ-LBPRGKRZSA-N 0 3 254.355 1.171 40 0 CDABHN Cc1ccc(CNCCN[C@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420379 364819636 /nfs/dbraw/zinc/81/96/36/364819636.db2.gz GZDZXNCHLWUVQF-OAHLLOKOSA-N 0 3 296.436 1.251 40 0 CDABHN Cn1cnc2c(c1=O)CCN(Cc1ccsc1)CC2 ZINC000306126917 374968342 /nfs/dbraw/zinc/96/83/42/374968342.db2.gz FIWNJNYAZCZKMD-UHFFFAOYSA-N 0 3 275.377 1.443 40 0 CDABHN COC(=O)[C@@H](C)N1CCN(C2CCCCC2)CC1 ZINC000163013359 375584262 /nfs/dbraw/zinc/58/42/62/375584262.db2.gz NQIJXBNGELNCOI-GFCCVEGCSA-N 0 3 254.374 1.498 40 0 CDABHN OCCN1CCOC[C@@H](Cc2cccc(F)c2)C1 ZINC000257264483 190023097 /nfs/dbraw/zinc/02/30/97/190023097.db2.gz LUOCDGBZAUMKJC-ZDUSSCGKSA-N 0 3 253.317 1.309 40 0 CDABHN COC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001351 375774565 /nfs/dbraw/zinc/77/45/65/375774565.db2.gz ZYNPKUQUMYUHDL-VXGBXAGGSA-N 0 3 289.784 1.478 40 0 CDABHN CCn1cc(CN2CC[C@@H](c3cc[nH]n3)C2)c(C)n1 ZINC000257316309 190033003 /nfs/dbraw/zinc/03/30/03/190033003.db2.gz VFAADGJUSSYEKO-GFCCVEGCSA-N 0 3 259.357 1.924 40 0 CDABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1CCO ZINC000072223720 390624045 /nfs/dbraw/zinc/62/40/45/390624045.db2.gz KBRRTSOAUCFOMF-UHFFFAOYSA-N 0 3 263.385 1.455 40 0 CDABHN COc1cccc(NCCc2nnc([C@@H](C)N)[nH]2)c1 ZINC000095534661 390611287 /nfs/dbraw/zinc/61/12/87/390611287.db2.gz AKVVBPLFQBNCBS-SECBINFHSA-N 0 3 261.329 1.488 40 0 CDABHN COc1cccc(NCCc2nc([C@@H](C)N)n[nH]2)c1 ZINC000095534661 390611294 /nfs/dbraw/zinc/61/12/94/390611294.db2.gz AKVVBPLFQBNCBS-SECBINFHSA-N 0 3 261.329 1.488 40 0 CDABHN CC[C@H](Oc1cccc(C)c1)C(=O)NCCN(C)C ZINC000020495094 171226789 /nfs/dbraw/zinc/22/67/89/171226789.db2.gz ATZSRQYNRDHEOV-AWEZNQCLSA-N 0 3 264.369 1.830 40 0 CDABHN CNc1cc(Nc2nccc([C@@H]3CCCCN3)n2)ncn1 ZINC000072376733 176385136 /nfs/dbraw/zinc/38/51/36/176385136.db2.gz VQZKJWPWSQMAET-JTQLQIEISA-N 0 3 285.355 1.867 40 0 CDABHN CC(C)(C)OC(=O)N1CC[C@H](CN(C(=O)CN)C2CC2)C1 ZINC000079391141 177475426 /nfs/dbraw/zinc/47/54/26/177475426.db2.gz RVRLDHCVUBDXCH-NSHDSACASA-N 0 3 297.399 1.193 40 0 CDABHN C[C@H](N)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000083318373 260189165 /nfs/dbraw/zinc/18/91/65/260189165.db2.gz ZNPRGXOEYHPPBT-WHXUTIOJSA-N 0 3 285.388 1.286 40 0 CDABHN CCOCCCNCc1cnc(NC(C)C)nc1 ZINC000062717612 262302382 /nfs/dbraw/zinc/30/23/82/262302382.db2.gz LBPLOTYADJXDRR-UHFFFAOYSA-N 0 3 252.362 1.813 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C)C1 ZINC000079407738 280271687 /nfs/dbraw/zinc/27/16/87/280271687.db2.gz HSYLAXVJVBRMEE-STQMWFEESA-N 0 3 253.390 1.055 40 0 CDABHN CC(C)(C)n1nccc1NC(=O)[C@H]1CCCCN1 ZINC000225814265 333182821 /nfs/dbraw/zinc/18/28/21/333182821.db2.gz HPHBQZMYTWVHKI-SNVBAGLBSA-N 0 3 250.346 1.719 40 0 CDABHN N[C@@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533973 185006620 /nfs/dbraw/zinc/00/66/20/185006620.db2.gz KVONAQANIZRGSB-LLVKDONJSA-N 0 3 289.730 1.146 40 0 CDABHN CC1(C)N[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CO1 ZINC000095913269 185030601 /nfs/dbraw/zinc/03/06/01/185030601.db2.gz PEJXWFVSLBDUGW-KGLIPLIRSA-N 0 3 290.363 1.980 40 0 CDABHN COCCN1CC[C@H]2CN(Cc3ccco3)C[C@@H]2C1=O ZINC000096054609 185076305 /nfs/dbraw/zinc/07/63/05/185076305.db2.gz UIVMANVPTQSQHT-JSGCOSHPSA-N 0 3 278.352 1.206 40 0 CDABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2C1 ZINC000096063662 185083550 /nfs/dbraw/zinc/08/35/50/185083550.db2.gz RNQGWKFSOYVKCI-OKILXGFUSA-N 0 3 299.374 1.822 40 0 CDABHN CN1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962399 362140881 /nfs/dbraw/zinc/14/08/81/362140881.db2.gz FWARSUXQPVHYOF-CABCVRRESA-N 0 3 262.353 1.961 40 0 CDABHN COC[C@@H]1CCN(C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126664 362153210 /nfs/dbraw/zinc/15/32/10/362153210.db2.gz LXWFBLRBMKNSSY-CQSZACIVSA-N 0 3 275.396 1.624 40 0 CDABHN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(C)C2)n1 ZINC000257321501 362586238 /nfs/dbraw/zinc/58/62/38/362586238.db2.gz WBXXKIJWURYMFE-NSHDSACASA-N 0 3 257.341 1.984 40 0 CDABHN CCN1CCC[C@@](C)(c2nncn2CCOC)C1 ZINC000205703090 348744066 /nfs/dbraw/zinc/74/40/66/348744066.db2.gz JYAGAJYGLASLHM-CYBMUJFWSA-N 0 3 252.362 1.298 40 0 CDABHN Nc1nccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000034781656 356820484 /nfs/dbraw/zinc/82/04/84/356820484.db2.gz HXXUUGWMGQZJTR-LBPRGKRZSA-N 0 3 255.325 1.210 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409108 356992168 /nfs/dbraw/zinc/99/21/68/356992168.db2.gz ISTQEHSNHMVKSU-QWRGUYRKSA-N 0 3 285.388 1.239 40 0 CDABHN c1cncc(CO[C@H]2CN([C@@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185075 358714321 /nfs/dbraw/zinc/71/43/21/358714321.db2.gz ATODGBHDLSAECW-QXSJWSMHSA-N 0 3 290.363 1.086 40 0 CDABHN CN1CCC[C@@]2(C1)CN(C(=O)C1CCCCC1)CCO2 ZINC000096268588 358730733 /nfs/dbraw/zinc/73/07/33/358730733.db2.gz PQAYDGUOERBNSR-MRXNPFEDSA-N 0 3 280.412 1.890 40 0 CDABHN NC[C@H]1CCN(Cc2cccc3ccccc32)S1(=O)=O ZINC000222539552 359353256 /nfs/dbraw/zinc/35/32/56/359353256.db2.gz VVSSHZWQJIEXCK-CQSZACIVSA-N 0 3 290.388 1.703 40 0 CDABHN C[C@@H]1CN(CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937382 200040391 /nfs/dbraw/zinc/04/03/91/200040391.db2.gz XIFSDKZICIMZGG-LLVKDONJSA-N 0 3 283.397 1.374 40 0 CDABHN C[C@H](c1cccc(O)c1)N(C)C[C@H](O)CN1CCOCC1 ZINC000305212684 364891045 /nfs/dbraw/zinc/89/10/45/364891045.db2.gz HMOSRHFGTRUENM-CJNGLKHVSA-N 0 3 294.395 1.078 40 0 CDABHN COCCNCCNC(=O)[C@@H]1CSc2ccccc21 ZINC000212764903 189689389 /nfs/dbraw/zinc/68/93/89/189689389.db2.gz HHSLAKYCUPRXOE-GFCCVEGCSA-N 0 3 280.393 1.228 40 0 CDABHN CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177655 284263623 /nfs/dbraw/zinc/26/36/23/284263623.db2.gz WHPDOPYAWKRBIG-MJBXVCDLSA-N 0 3 283.416 1.266 40 0 CDABHN Cn1ncc(CNC[C@H]2CCCO2)c1C(F)(F)F ZINC000256054055 190005095 /nfs/dbraw/zinc/00/50/95/190005095.db2.gz UTRWTRYYFAHWHR-SECBINFHSA-N 0 3 263.263 1.708 40 0 CDABHN CCOC(=O)[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987704 375771428 /nfs/dbraw/zinc/77/14/28/375771428.db2.gz HMHXGAGTKLGKGK-TZMCWYRMSA-N 0 3 297.376 1.049 40 0 CDABHN CN1CCN(Cc2ccc3ccccc3n2)C[C@@H](C(N)=O)C1 ZINC000257304259 190030487 /nfs/dbraw/zinc/03/04/87/190030487.db2.gz SKUDIFVFQFTURI-AWEZNQCLSA-N 0 3 298.390 1.084 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@H](c2cc(C)nc(C)n2)C1 ZINC000257333981 190035597 /nfs/dbraw/zinc/03/55/97/190035597.db2.gz YDZJKZCTIWMFIB-HNNXBMFYSA-N 0 3 287.367 1.698 40 0 CDABHN Clc1ncc(Br)c(N2CCNCC2)n1 ZINC000085788221 135038246 /nfs/dbraw/zinc/03/82/46/135038246.db2.gz YWDMVRARYLPKFO-UHFFFAOYSA-N 0 3 277.553 1.302 40 0 CDABHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OC ZINC000008497885 170338052 /nfs/dbraw/zinc/33/80/52/170338052.db2.gz CAKDXOPUIMVDAY-QMMMGPOBSA-N 0 3 259.733 1.828 40 0 CDABHN COc1ccccc1C(=O)NCCCN1CCN(C)CC1 ZINC000022829381 171399879 /nfs/dbraw/zinc/39/98/79/171399879.db2.gz QOYRMJJXOBKIRK-UHFFFAOYSA-N 0 3 291.395 1.063 40 0 CDABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn(C)n1 ZINC000044892000 175273116 /nfs/dbraw/zinc/27/31/16/175273116.db2.gz YWGRJWIKXLMTGH-ZANVPECISA-N 0 3 273.292 1.587 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397664 176394974 /nfs/dbraw/zinc/39/49/74/176394974.db2.gz VJVHQBVGMRIQIJ-LERXQTSPSA-N 0 3 282.334 1.604 40 0 CDABHN CCOc1ccccc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072397639 176395180 /nfs/dbraw/zinc/39/51/80/176395180.db2.gz YHFBDIDDXVRNDG-FVQBIDKESA-N 0 3 290.407 1.725 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397567 176395187 /nfs/dbraw/zinc/39/51/87/176395187.db2.gz NATSZFVMWUSTQR-FPMFFAJLSA-N 0 3 264.344 1.465 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397632 176395302 /nfs/dbraw/zinc/39/53/02/176395302.db2.gz JGYRAOGEWYUKGQ-KCPJHIHWSA-N 0 3 264.344 1.465 40 0 CDABHN CCNC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000077631807 177288584 /nfs/dbraw/zinc/28/85/84/177288584.db2.gz MCLLNGPXHPUOLB-UHFFFAOYSA-N 0 3 250.346 1.175 40 0 CDABHN CC(C)N(C(=O)CN)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079390888 279274453 /nfs/dbraw/zinc/27/44/53/279274453.db2.gz KWLYSUYKVDQRRQ-NSHDSACASA-N 0 3 285.388 1.192 40 0 CDABHN COCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053907 185076796 /nfs/dbraw/zinc/07/67/96/185076796.db2.gz WIDKRHFQVQDGDN-ZIAGYGMSSA-N 0 3 292.354 1.362 40 0 CDABHN CC(C)CN1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080551 185091098 /nfs/dbraw/zinc/09/10/98/185091098.db2.gz VGKQIWWCSFBJTP-KBPBESRZSA-N 0 3 259.353 1.494 40 0 CDABHN Cc1noc(C)c1CN1CCC[C@]2(CCC(=O)N2)CC1 ZINC000096100162 185097479 /nfs/dbraw/zinc/09/74/79/185097479.db2.gz GSEBKCBPBPAWEZ-HNNXBMFYSA-N 0 3 277.368 1.926 40 0 CDABHN Cc1noc(C)c1CN1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000096100161 185097598 /nfs/dbraw/zinc/09/75/98/185097598.db2.gz GSEBKCBPBPAWEZ-OAHLLOKOSA-N 0 3 277.368 1.926 40 0 CDABHN CC(C)(C)OC(=O)N1CCCC[C@H]1Cn1cc(CN)nn1 ZINC000409427270 342168636 /nfs/dbraw/zinc/16/86/36/342168636.db2.gz VMPLCEZSHKWZOB-LBPRGKRZSA-N 0 3 295.387 1.526 40 0 CDABHN Cc1cccc(OC[C@]2(O)CCCN(CCC(N)=O)C2)c1 ZINC000585269051 342254455 /nfs/dbraw/zinc/25/44/55/342254455.db2.gz JCJGJYSXWLOBRC-INIZCTEOSA-N 0 3 292.379 1.076 40 0 CDABHN Brc1cccc(C[C@@H]2CNCCO2)c1 ZINC000035823147 356051288 /nfs/dbraw/zinc/05/12/88/356051288.db2.gz JZSMLWHPLCJHPT-LLVKDONJSA-N 0 3 256.143 1.980 40 0 CDABHN COC[C@@H](O)CN1CCN(c2ccccc2)[C@@H](C)C1 ZINC000031659680 356767858 /nfs/dbraw/zinc/76/78/58/356767858.db2.gz XWZVOCAEMFSLBH-ZFWWWQNUSA-N 0 3 264.369 1.204 40 0 CDABHN COc1ccc(-c2n[nH]c(=O)cc2N2CCNCC2)cc1 ZINC000034057935 356809904 /nfs/dbraw/zinc/80/99/04/356809904.db2.gz AGKACRHTHIFIMV-UHFFFAOYSA-N 0 3 286.335 1.267 40 0 CDABHN CN(CCN1CCCCC1)C(=O)CCc1csc(N)n1 ZINC000036753076 356880371 /nfs/dbraw/zinc/88/03/71/356880371.db2.gz YXGNNOMXPNCWSO-UHFFFAOYSA-N 0 3 296.440 1.602 40 0 CDABHN CN(C[C@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079410950 356993929 /nfs/dbraw/zinc/99/39/29/356993929.db2.gz IJYRZGMTUFEJPH-OAHLLOKOSA-N 0 3 292.379 1.569 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCCC[C@H](SC)C1 ZINC000157800812 357589933 /nfs/dbraw/zinc/58/99/33/357589933.db2.gz AGKDUBIYKWAHFW-QWRGUYRKSA-N 0 3 276.471 1.811 40 0 CDABHN CCO[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096158715 358710203 /nfs/dbraw/zinc/71/02/03/358710203.db2.gz JFOQNNVKNAYXMF-CQSZACIVSA-N 0 3 279.384 1.580 40 0 CDABHN C[C@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161632 358710944 /nfs/dbraw/zinc/71/09/44/358710944.db2.gz XBCJMRRVTVSQLB-TTZDDIAXSA-N 0 3 285.391 1.628 40 0 CDABHN CC(C)CN1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253127 358727988 /nfs/dbraw/zinc/72/79/88/358727988.db2.gz YQSJACQIVVWOOV-HZSPNIEDSA-N 0 3 266.385 1.400 40 0 CDABHN COc1ccc(CCC(=O)NCCN(C)C)cc1C ZINC000224547073 359514009 /nfs/dbraw/zinc/51/40/09/359514009.db2.gz XZUUUYDDSPKGQD-UHFFFAOYSA-N 0 3 264.369 1.614 40 0 CDABHN OC[C@@H]1C[C@@H](O)CN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000225528335 359597962 /nfs/dbraw/zinc/59/79/62/359597962.db2.gz ONVICQYWLIWPIY-MJBXVCDLSA-N 0 3 269.385 1.296 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476505 374316158 /nfs/dbraw/zinc/31/61/58/374316158.db2.gz NTXDKFXUCDASQF-CYBMUJFWSA-N 0 3 289.379 1.534 40 0 CDABHN CN1CCC[C@@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664090 374710715 /nfs/dbraw/zinc/71/07/15/374710715.db2.gz QGXADEHNRWSRTO-CQSZACIVSA-N 0 3 294.830 1.951 40 0 CDABHN COc1ccccc1[C@@H]1CNCCN1Cc1cnc(C)nc1 ZINC000257229510 190016048 /nfs/dbraw/zinc/01/60/48/190016048.db2.gz FYJHERJMUVVALL-INIZCTEOSA-N 0 3 298.390 1.940 40 0 CDABHN CC(C)(N)C(=O)N1CCO[C@H](Cc2ccc(Cl)cc2)C1 ZINC000257224969 190015285 /nfs/dbraw/zinc/01/52/85/190015285.db2.gz FEEDAWLVXSWWFA-CYBMUJFWSA-N 0 3 296.798 1.847 40 0 CDABHN O=C1CO[C@H]2CCN(CCOc3ccccc3)CC[C@@H]2N1 ZINC000257296655 190028364 /nfs/dbraw/zinc/02/83/64/190028364.db2.gz RDTMRUNSLRCQMC-GJZGRUSLSA-N 0 3 290.363 1.045 40 0 CDABHN CC(C)n1c(=O)c2cccnc2nc1[C@@H]1CCCN1 ZINC000242723188 391944708 /nfs/dbraw/zinc/94/47/08/391944708.db2.gz YFPSAYKSGHTCSU-NSHDSACASA-N 0 3 258.325 1.797 40 0 CDABHN O=NN(Cc1ccc(Cl)cc1)N=C1NCCN1 ZINC000005395802 170094786 /nfs/dbraw/zinc/09/47/86/170094786.db2.gz VIHXGRJEGOUOIP-UHFFFAOYSA-N 0 3 253.693 1.287 40 0 CDABHN Cc1c(Cl)c(-c2nc3c4cnnc-4ncn3[nH]2)nn1C ZINC000006412543 170199361 /nfs/dbraw/zinc/19/93/61/170199361.db2.gz UVRMWFSHCYBZNJ-UHFFFAOYSA-N 0 3 288.702 1.363 40 0 CDABHN C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCN(C)C ZINC000006455484 170202360 /nfs/dbraw/zinc/20/23/60/170202360.db2.gz UFYFVTDYNMFGOB-SNVBAGLBSA-N 0 3 270.760 1.785 40 0 CDABHN COC(=O)[C@@H](C)CNCc1ccc2c(c1)OCO2 ZINC000047219172 175405481 /nfs/dbraw/zinc/40/54/81/175405481.db2.gz WDCROSLVTPPBEJ-VIFPVBQESA-N 0 3 251.282 1.314 40 0 CDABHN CNC(=O)[C@]1(C)CCCN(Cc2cn(C)nc2C)C1 ZINC000072346329 176373121 /nfs/dbraw/zinc/37/31/21/176373121.db2.gz YAHYBSMPIJHZQM-CQSZACIVSA-N 0 3 264.373 1.077 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242522451 261253932 /nfs/dbraw/zinc/25/39/32/261253932.db2.gz ITJISYGAMQNLNP-HAQNSBGRSA-N 0 3 299.415 1.630 40 0 CDABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000040468062 278525730 /nfs/dbraw/zinc/52/57/30/278525730.db2.gz KIEBJMGMGMYFHN-GRYCIOLGSA-N 0 3 254.374 1.530 40 0 CDABHN CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391250 279221461 /nfs/dbraw/zinc/22/14/61/279221461.db2.gz PUJKMNIFCDUXSQ-RYUDHWBXSA-N 0 3 299.415 1.439 40 0 CDABHN CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079391100 279456951 /nfs/dbraw/zinc/45/69/51/279456951.db2.gz NCFPODCRYHLXNZ-GFCCVEGCSA-N 0 3 299.415 1.582 40 0 CDABHN c1ccc(OCCNCc2cnc(N3CCCC3)nc2)nc1 ZINC000062717832 327915128 /nfs/dbraw/zinc/91/51/28/327915128.db2.gz NJTZPGBVMXZTNP-UHFFFAOYSA-N 0 3 299.378 1.640 40 0 CDABHN CC(C)Nc1ncc(CNCCCCCO)cn1 ZINC000062717651 333176142 /nfs/dbraw/zinc/17/61/42/333176142.db2.gz DJUXJDWNPAQJFT-UHFFFAOYSA-N 0 3 252.362 1.549 40 0 CDABHN CCC[C@@H]1CN(C(=O)[C@@H](N)CCSC)CCO1 ZINC000158056705 527781704 /nfs/dbraw/zinc/78/17/04/527781704.db2.gz JIMNUTUPCVBHIQ-MNOVXSKESA-N 0 3 260.403 1.094 40 0 CDABHN N[C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533982 185006764 /nfs/dbraw/zinc/00/67/64/185006764.db2.gz OPGRSSIDJJUONS-GFCCVEGCSA-N 0 3 288.742 1.751 40 0 CDABHN COCCN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC000096046789 185071137 /nfs/dbraw/zinc/07/11/37/185071137.db2.gz GAYDXVRBHMIESA-UHFFFAOYSA-N 0 3 292.379 1.741 40 0 CDABHN Fc1cccc(CNC[C@H]2Cn3nncc3CO2)c1 ZINC000096069257 185085109 /nfs/dbraw/zinc/08/51/09/185085109.db2.gz YUUYGPGETZPGDG-ZDUSSCGKSA-N 0 3 262.288 1.106 40 0 CDABHN CN(C)C(=O)CN1CCC12CCN(Cc1ccoc1)CC2 ZINC000096077976 185089782 /nfs/dbraw/zinc/08/97/82/185089782.db2.gz QYFWYAMUZCMPQG-UHFFFAOYSA-N 0 3 291.395 1.408 40 0 CDABHN CN1Cc2cccn2C[C@H](CC(=O)NCc2ccco2)C1 ZINC000585099113 342212226 /nfs/dbraw/zinc/21/22/26/342212226.db2.gz MTVAOTRLWPGJOW-CYBMUJFWSA-N 0 3 287.363 1.849 40 0 CDABHN CN1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247962401 362140273 /nfs/dbraw/zinc/14/02/73/362140273.db2.gz FWARSUXQPVHYOF-GJZGRUSLSA-N 0 3 262.353 1.961 40 0 CDABHN O=S(=O)(NNC1=NCCCCC1)c1ccccc1 ZINC000003179311 346033961 /nfs/dbraw/zinc/03/39/61/346033961.db2.gz SLRNQQCAMJCQKW-UHFFFAOYSA-N 0 3 267.354 1.442 40 0 CDABHN CN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390822 356988590 /nfs/dbraw/zinc/98/85/90/356988590.db2.gz WENYUFHTADEKFD-LLVKDONJSA-N 0 3 285.388 1.051 40 0 CDABHN CC(C)[C@H](N)C(=O)NCc1ccnc(Br)c1 ZINC000079430897 356996415 /nfs/dbraw/zinc/99/64/15/356996415.db2.gz SDWLQYLNGJAJEW-JTQLQIEISA-N 0 3 286.173 1.444 40 0 CDABHN O=c1cc2c(nn1Cc1ccccc1Cl)CCNC2 ZINC000063169775 358569550 /nfs/dbraw/zinc/56/95/50/358569550.db2.gz ORUYAPGYZKFEOK-UHFFFAOYSA-N 0 3 275.739 1.591 40 0 CDABHN COc1ccccc1NC(=O)CSC1=NCCN1 ZINC000001009663 364274553 /nfs/dbraw/zinc/27/45/53/364274553.db2.gz ZHDMFWCPXKTFRY-UHFFFAOYSA-N 0 3 265.338 1.326 40 0 CDABHN CN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216568 390621931 /nfs/dbraw/zinc/62/19/31/390621931.db2.gz ZCJMLWJMUMLCHN-CQSZACIVSA-N 0 3 260.385 1.600 40 0 CDABHN Cc1c(CNCCCN2CCOCC2)cnn1C(C)C ZINC000256052704 397603962 /nfs/dbraw/zinc/60/39/62/397603962.db2.gz OIEJTCFGQYNTKG-UHFFFAOYSA-N 0 3 280.416 1.584 40 0 CDABHN Cn1cc(CNC2CCC3(CCC(=O)N3)CC2)cn1 ZINC000096075804 398069577 /nfs/dbraw/zinc/06/95/77/398069577.db2.gz CPXLJJNDRIHWMX-UHFFFAOYSA-N 0 3 262.357 1.101 40 0 CDABHN COc1ccc(OC)c([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022162124 171364262 /nfs/dbraw/zinc/36/42/62/171364262.db2.gz QTTXXVGVYBTEEU-TYNCELHUSA-N 0 3 294.395 1.813 40 0 CDABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000040468064 277248570 /nfs/dbraw/zinc/24/85/70/277248570.db2.gz KIEBJMGMGMYFHN-IJLUTSLNSA-N 0 3 254.374 1.530 40 0 CDABHN CCN1CCOC[C@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049621 279382663 /nfs/dbraw/zinc/38/26/63/279382663.db2.gz WSAZDTAKHVDRCR-MRXNPFEDSA-N 0 3 295.427 1.637 40 0 CDABHN CN(C)[C@@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@H]12 ZINC000096056318 185078166 /nfs/dbraw/zinc/07/81/66/185078166.db2.gz HXDYWQZZVBLPBV-WZRBSPASSA-N 0 3 267.398 1.437 40 0 CDABHN Cn1ccnc1CN1CC[C@]2(CCN2CC2CC2)C1 ZINC000096075979 185089600 /nfs/dbraw/zinc/08/96/00/185089600.db2.gz FEUCKHMQSMPEEL-HNNXBMFYSA-N 0 3 260.385 1.480 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@H]2OC ZINC000096108517 185099678 /nfs/dbraw/zinc/09/96/78/185099678.db2.gz OREWWAGSTKVMET-BFHYXJOUSA-N 0 3 294.420 1.929 40 0 CDABHN C[C@@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585103282 342212778 /nfs/dbraw/zinc/21/27/78/342212778.db2.gz ARAHLTJTEMZTKF-YOEHRIQHSA-N 0 3 288.391 1.928 40 0 CDABHN CN(C)C[C@H]1CN(C(=O)c2cccnc2)Cc2cncn21 ZINC000248070908 362148680 /nfs/dbraw/zinc/14/86/80/362148680.db2.gz AVQCMTILDCYTMU-AWEZNQCLSA-N 0 3 285.351 1.037 40 0 CDABHN CNc1cc(C)nc([C@@H]2CN(c3ncccn3)CCO2)c1 ZINC000257293957 362583731 /nfs/dbraw/zinc/58/37/31/362583731.db2.gz QRVVVIWMNREPHR-AWEZNQCLSA-N 0 3 285.351 1.800 40 0 CDABHN CCN1CC2(CCC1=O)CCN(Cc1cnn(C)c1)CC2 ZINC000108526479 186220759 /nfs/dbraw/zinc/22/07/59/186220759.db2.gz WAPMLVCNHCAESS-UHFFFAOYSA-N 0 3 290.411 1.645 40 0 CDABHN [NH3+][C@@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369346 356482604 /nfs/dbraw/zinc/48/26/04/356482604.db2.gz NNDATGCDNUYDLS-AWEZNQCLSA-N 0 3 284.363 1.613 40 0 CDABHN Cc1cccn2cc(C(=O)N[C@@H](C)CN3CCCC3)nc12 ZINC000019718774 356496956 /nfs/dbraw/zinc/49/69/56/356496956.db2.gz PBMVFEZRJBTMHD-ZDUSSCGKSA-N 0 3 286.379 1.857 40 0 CDABHN CC(C)N1CCN(CCOc2ccnc(N)c2)CC1 ZINC000098175310 358815893 /nfs/dbraw/zinc/81/58/93/358815893.db2.gz FSJCNVHPCVGFEZ-UHFFFAOYSA-N 0 3 264.373 1.069 40 0 CDABHN NC[C@@H]1CCN(c2cccc(Cl)c2)S1(=O)=O ZINC000222543279 359353027 /nfs/dbraw/zinc/35/30/27/359353027.db2.gz VWCXBIKXUNZLIK-JTQLQIEISA-N 0 3 260.746 1.207 40 0 CDABHN Nc1nc2c(cc1C(=O)Nc1ccc(F)cc1)CNCC2 ZINC000257319695 283692405 /nfs/dbraw/zinc/69/24/05/283692405.db2.gz VTQNJILWFSBNFA-UHFFFAOYSA-N 0 3 286.310 1.701 40 0 CDABHN Cc1ccc([O-])c(C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000049560368 364079561 /nfs/dbraw/zinc/07/95/61/364079561.db2.gz DSXMVWXLZQMDGY-NSHDSACASA-N 0 3 250.342 1.771 40 0 CDABHN COc1cc(CN)c(OC)cc1I ZINC000012649397 374560127 /nfs/dbraw/zinc/56/01/27/374560127.db2.gz JHNPVVJFALMYQS-UHFFFAOYSA-N 0 3 293.104 1.767 40 0 CDABHN Cc1nc[nH]c1CN1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257212133 190013016 /nfs/dbraw/zinc/01/30/16/190013016.db2.gz CCBGQLCHFJXARZ-UHFFFAOYSA-N 0 3 298.394 1.975 40 0 CDABHN Cc1cc(C[C@H]2CCC[C@@H]3CN(CC(N)=O)C[C@@H]32)ncn1 ZINC000257221485 190014725 /nfs/dbraw/zinc/01/47/25/190014725.db2.gz DPFJAJLLERVHTM-UMVBOHGHSA-N 0 3 288.395 1.161 40 0 CDABHN CC(C)OC(=O)[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096510355 390531650 /nfs/dbraw/zinc/53/16/50/390531650.db2.gz OYZYEXJAVIGOIB-WDEREUQCSA-N 0 3 286.372 1.441 40 0 CDABHN CC(C)N1CCC[C@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301943 391649534 /nfs/dbraw/zinc/64/95/34/391649534.db2.gz SARKJDZUQGKMOO-LBPRGKRZSA-N 0 3 276.340 1.979 40 0 CDABHN Brc1ccccc1C[C@@H]1CNCCO1 ZINC000071577318 176205355 /nfs/dbraw/zinc/20/53/55/176205355.db2.gz SFTMNWLAZLCRRN-SNVBAGLBSA-N 0 3 256.143 1.980 40 0 CDABHN CN(C)C(=O)Oc1cc([O-])cc([C@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005353318 170089012 /nfs/dbraw/zinc/08/90/12/170089012.db2.gz ZFYNJGOPBVNUDF-CYBMUJFWSA-N 0 3 296.367 1.874 40 0 in-vitro CDABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2)n1 ZINC000035424948 172193424 /nfs/dbraw/zinc/19/34/24/172193424.db2.gz JQSWGSZEHCGUCH-NSHDSACASA-N 0 3 289.339 1.614 40 0 biogenic,in-vitro CDABHN c1cnc([N-]c2nccc([C@H]3CCC[NH2+]C3)n2)cn1 ZINC000072354555 176374998 /nfs/dbraw/zinc/37/49/98/176374998.db2.gz NDNJIOZCXNAJNX-JTQLQIEISA-N 0 3 256.313 1.477 40 0 CDABHN Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C)C2)n1 ZINC000072366410 176381407 /nfs/dbraw/zinc/38/14/07/176381407.db2.gz BJOUBLLRPHBSPO-ZDUSSCGKSA-N 0 3 290.411 1.615 40 0 CDABHN Cc1cc(NCCN(C)C)n2nc(-c3nccn3C)cc2n1 ZINC000072397718 176395409 /nfs/dbraw/zinc/39/54/09/176395409.db2.gz IXAIEFFDJGSSPD-UHFFFAOYSA-N 0 3 299.382 1.412 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391364 177475803 /nfs/dbraw/zinc/47/58/03/177475803.db2.gz PDMVFECTGGFCIN-QWRGUYRKSA-N 0 3 285.388 1.095 40 0 CDABHN CCN(C[C@H]1CCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409137 177481868 /nfs/dbraw/zinc/48/18/68/177481868.db2.gz PSYZRDGDVQGDGS-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN CCN(CC)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000005352046 279107824 /nfs/dbraw/zinc/10/78/24/279107824.db2.gz OCBYBBQVZFJHBP-MLGHIDQZSA-N 0 3 281.352 1.069 40 0 CDABHN CN(C[C@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409070 289735830 /nfs/dbraw/zinc/73/58/30/289735830.db2.gz IPJJYXMSAFHJNX-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN NCCN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 ZINC000001695621 303381668 /nfs/dbraw/zinc/38/16/68/303381668.db2.gz MXSAPVMERXGFSJ-INIZCTEOSA-N 0 3 268.316 1.295 40 0 CDABHN CSc1cccc(N2CC[C@H](CN)S2(=O)=O)c1 ZINC000260762849 328066893 /nfs/dbraw/zinc/06/68/93/328066893.db2.gz HRJJYVJKSXIUIU-LLVKDONJSA-N 0 3 272.395 1.276 40 0 CDABHN COC(=O)c1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713397 567903781 /nfs/dbraw/zinc/90/37/81/567903781.db2.gz DLHZXVPCRDMBLA-UHFFFAOYSA-N 0 3 276.336 1.754 40 0 CDABHN CC1(C)N[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CO1 ZINC000095913271 185031191 /nfs/dbraw/zinc/03/11/91/185031191.db2.gz PEJXWFVSLBDUGW-KBPBESRZSA-N 0 3 290.363 1.980 40 0 CDABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1c(C)noc1C)C2 ZINC000096038759 185069311 /nfs/dbraw/zinc/06/93/11/185069311.db2.gz IHTKBXJQUPBJLU-UKRRQHHQSA-N 0 3 293.367 1.018 40 0 CDABHN Cn1cc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110641 185100444 /nfs/dbraw/zinc/10/04/44/185100444.db2.gz VYDAPYFRJOMATF-HOTGVXAUSA-N 0 3 297.406 1.379 40 0 CDABHN COC[C@@H]1CN(C(=O)c2ccco2)CC12CCN(C)CC2 ZINC000585102704 342212619 /nfs/dbraw/zinc/21/26/19/342212619.db2.gz BDAJFKZDNJVNNA-ZDUSSCGKSA-N 0 3 292.379 1.710 40 0 CDABHN COCC[C@H]1CCOC12CCN(Cc1cnn(C)c1)CC2 ZINC000585102872 342212662 /nfs/dbraw/zinc/21/26/62/342212662.db2.gz LPGKVCGYNDAVHY-HNNXBMFYSA-N 0 3 293.411 1.828 40 0 CDABHN CO[C@H]1CCCN(C(=O)CN)[C@H]1Cc1ccccc1 ZINC000585269584 342255530 /nfs/dbraw/zinc/25/55/30/342255530.db2.gz ZZENYWZICHAMMW-KBPBESRZSA-N 0 3 262.353 1.194 40 0 CDABHN Cc1nc(COCC[C@@H]2CCOC23CNC3)cs1 ZINC000248029717 362145796 /nfs/dbraw/zinc/14/57/96/362145796.db2.gz LNBGSLZFBMZKKN-LLVKDONJSA-N 0 3 268.382 1.737 40 0 CDABHN CN(C)C(=O)C(C)(C)NC[C@@H](O)c1ccc(F)c(F)c1 ZINC000079311407 362163236 /nfs/dbraw/zinc/16/32/36/362163236.db2.gz MELOUVJEMZYUSL-GFCCVEGCSA-N 0 3 286.322 1.455 40 0 CDABHN c1cncc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000108222862 186208346 /nfs/dbraw/zinc/20/83/46/186208346.db2.gz ZMTYQXUKEAIMMR-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN COc1cccc(CN2CCC[C@@]3(CCNC3=O)CC2)n1 ZINC000108531410 186222054 /nfs/dbraw/zinc/22/20/54/186222054.db2.gz JEUQMNCTLLRTCY-MRXNPFEDSA-N 0 3 289.379 1.582 40 0 CDABHN COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](C)N)cc1 ZINC000158072503 188355768 /nfs/dbraw/zinc/35/57/68/188355768.db2.gz OJNXTMLMAPIJER-RYUDHWBXSA-N 0 3 264.369 1.679 40 0 CDABHN COc1cccc(C(=O)C(CN(C)C)CN(C)C)c1 ZINC000001572428 355940057 /nfs/dbraw/zinc/94/00/57/355940057.db2.gz JPXFERQIDUKTAQ-UHFFFAOYSA-N 0 3 264.369 1.617 40 0 CDABHN COc1ccccc1C[C@@H](O)CNCc1ccco1 ZINC000001676682 355946924 /nfs/dbraw/zinc/94/69/24/355946924.db2.gz WPIDCZBVFXTHBQ-CYBMUJFWSA-N 0 3 261.321 1.981 40 0 CDABHN C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000002517161 355972574 /nfs/dbraw/zinc/97/25/74/355972574.db2.gz XDWBXMVFTBENCK-QWRGUYRKSA-N 0 3 285.347 1.630 40 0 in-vitro CDABHN CC[C@H](C)c1c(O)nc(N)n1C(=O)OCc1ccccc1 ZINC000032068461 356773120 /nfs/dbraw/zinc/77/31/20/356773120.db2.gz XBSZIGWKUWBKQU-CMPLNLGQSA-N 0 3 289.335 1.895 40 0 CDABHN CC[C@H](C)C1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000032068461 356773124 /nfs/dbraw/zinc/77/31/24/356773124.db2.gz XBSZIGWKUWBKQU-CMPLNLGQSA-N 0 3 289.335 1.895 40 0 CDABHN CC(C)N(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409255 356992295 /nfs/dbraw/zinc/99/22/95/356992295.db2.gz DYYUWUKFCSIRNV-GFCCVEGCSA-N 0 3 299.415 1.439 40 0 CDABHN CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)[C@H](C)N ZINC000079418807 356995501 /nfs/dbraw/zinc/99/55/01/356995501.db2.gz QIGHCOREORXYDF-NWDGAFQWSA-N 0 3 278.352 1.411 40 0 CDABHN C[NH+](C)CCCOc1ccc([C@@H](N)C(=O)[O-])cc1 ZINC000199810844 358097397 /nfs/dbraw/zinc/09/73/97/358097397.db2.gz SMVZWRFACMKHHL-GFCCVEGCSA-N 0 3 252.314 1.102 40 0 CDABHN c1cncc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000096183278 358713323 /nfs/dbraw/zinc/71/33/23/358713323.db2.gz ZMTYQXUKEAIMMR-DLBZAZTESA-N 0 3 287.407 1.767 40 0 CDABHN O=C1COC2(CCN(Cc3cccs3)CC2)CN1 ZINC000096201320 358718476 /nfs/dbraw/zinc/71/84/76/358718476.db2.gz UCILDRYVVDTXHY-UHFFFAOYSA-N 0 3 266.366 1.229 40 0 CDABHN CN1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201937 358719575 /nfs/dbraw/zinc/71/95/75/358719575.db2.gz NSFNFCONZOBXSR-CQSZACIVSA-N 0 3 280.393 1.542 40 0 CDABHN CN(C)c1ncc2c(n1)[C@]1(CCN(CC3CC3)C1)COC2 ZINC000096244021 358724901 /nfs/dbraw/zinc/72/49/01/358724901.db2.gz FJBXXAKOQRGVSI-INIZCTEOSA-N 0 3 288.395 1.426 40 0 CDABHN CNC(=O)c1cc2c(nc1NC(C)C)CCN(C)CC2 ZINC000096260418 358729690 /nfs/dbraw/zinc/72/96/90/358729690.db2.gz CJWVEVTZWZAQSD-UHFFFAOYSA-N 0 3 276.384 1.292 40 0 CDABHN CC[C@H](c1ccccc1)N1CCN(CCC(=O)NC)CC1 ZINC000075862766 366906381 /nfs/dbraw/zinc/90/63/81/366906381.db2.gz JHNFSKAJUBXRCW-MRXNPFEDSA-N 0 3 289.423 1.891 40 0 CDABHN CCOc1ccccc1NC(=O)CSC1=NCCN1 ZINC000001994575 367479764 /nfs/dbraw/zinc/47/97/64/367479764.db2.gz BEPHHAJVUWDIDZ-UHFFFAOYSA-N 0 3 279.365 1.716 40 0 CDABHN CN1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 ZINC000253406870 373701610 /nfs/dbraw/zinc/70/16/10/373701610.db2.gz VDYHCAULARRUQP-OAHLLOKOSA-N 0 3 274.412 1.292 40 0 biogenic,in-vitro CDABHN CN(C)CCNCc1cc(C(F)(F)F)nn1C ZINC000256052486 190004303 /nfs/dbraw/zinc/00/43/03/190004303.db2.gz NMVRWYUVRSRTTO-UHFFFAOYSA-N 0 3 250.268 1.090 40 0 CDABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)CO)cc1 ZINC000218438736 375835222 /nfs/dbraw/zinc/83/52/22/375835222.db2.gz OWGHEIDQVFILHI-KKUMJFAQSA-N 0 3 297.420 1.087 40 0 CDABHN Cn1ccnc1-c1nccnc1C1CCN(C)CC1 ZINC000257304243 190030754 /nfs/dbraw/zinc/03/07/54/190030754.db2.gz SKSOQDIEUNSKKF-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN CN1CCCN(Cc2ccnc([C@]3(C)CCCO3)n2)CC1 ZINC000257319283 190033411 /nfs/dbraw/zinc/03/34/11/190033411.db2.gz VRSRGKHNLBSTAU-INIZCTEOSA-N 0 3 290.411 1.640 40 0 CDABHN O=C(CN1CCC(Cc2ccncc2)CC1)N1CCCC1 ZINC000257333584 190035326 /nfs/dbraw/zinc/03/53/26/190035326.db2.gz YCEPBVBIHACJGJ-UHFFFAOYSA-N 0 3 287.407 1.959 40 0 CDABHN CCOC(=O)[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C ZINC000096510333 390530663 /nfs/dbraw/zinc/53/06/63/390530663.db2.gz ICLFKLQIHHBWQG-UWVGGRQHSA-N 0 3 272.345 1.052 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000037363641 391478744 /nfs/dbraw/zinc/47/87/44/391478744.db2.gz RDVDUFLJQMMCNS-JMSVASOKSA-N 0 3 276.380 1.731 40 0 CDABHN Cc1nc(CCC(=O)N(C)C)cc([C@H]2CCCCN2)n1 ZINC000072363385 176377469 /nfs/dbraw/zinc/37/74/69/176377469.db2.gz XFTSWFSLTUUPIN-CYBMUJFWSA-N 0 3 276.384 1.620 40 0 CDABHN COc1ccccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072397635 176395062 /nfs/dbraw/zinc/39/50/62/176395062.db2.gz MIZZOWWECZFPJS-VHDGCEQUSA-N 0 3 276.380 1.335 40 0 CDABHN C[C@@](CO)(NCC(=O)NCC1CCC1)C1CCCCC1 ZINC000077657052 177291791 /nfs/dbraw/zinc/29/17/91/177291791.db2.gz NWZZQEQTALIGEI-INIZCTEOSA-N 0 3 282.428 1.824 40 0 CDABHN CC[N@@H+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC ZINC000005851787 260020521 /nfs/dbraw/zinc/02/05/21/260020521.db2.gz MVWKVVFFVMXULU-NSHDSACASA-N 0 3 278.352 1.615 40 0 in-vitro CDABHN CC[N@H+]1CCC[C@H]1CNC(=O)c1c([O-])cccc1OC ZINC000005851787 260020523 /nfs/dbraw/zinc/02/05/23/260020523.db2.gz MVWKVVFFVMXULU-NSHDSACASA-N 0 3 278.352 1.615 40 0 in-vitro CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409210 276300036 /nfs/dbraw/zinc/30/00/36/276300036.db2.gz PLLZKTLSVDYYFT-RYUDHWBXSA-N 0 3 299.415 1.630 40 0 CDABHN CC(=O)N1C[C@@H]2CN(C3CCC3)CCN2C(C)(C)C1 ZINC000253408885 278071513 /nfs/dbraw/zinc/07/15/13/278071513.db2.gz YWDHRRFVSNRQHY-AWEZNQCLSA-N 0 3 265.401 1.166 40 0 biogenic,in-vitro CDABHN CCCN1C=CC(=c2nc3c(o2)=CC(=N)C=C3)C=C1 ZINC000409416123 278801517 /nfs/dbraw/zinc/80/15/17/278801517.db2.gz PUELNOLPTUVSMP-UHFFFAOYSA-N 0 3 253.305 1.405 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079409111 288872138 /nfs/dbraw/zinc/87/21/38/288872138.db2.gz ISTQEHSNHMVKSU-GHMZBOCLSA-N 0 3 285.388 1.239 40 0 CDABHN NC(=O)c1c[nH]nc1[C@@H]1CCCN1C1CCCCC1 ZINC000072356700 295169831 /nfs/dbraw/zinc/16/98/31/295169831.db2.gz SPGKSVPHFFSEKF-LBPRGKRZSA-N 0 3 262.357 1.978 40 0 CDABHN COCc1nnc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257339942 327137152 /nfs/dbraw/zinc/13/71/52/327137152.db2.gz ZDWHVYTUMSLWRW-OLZOCXBDSA-N 0 3 295.383 1.699 40 0 CDABHN CCN1CCC(NC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000049398717 521571799 /nfs/dbraw/zinc/57/17/99/521571799.db2.gz GGGVFRYYNSCQDN-UHFFFAOYSA-N 0 3 285.388 1.112 40 0 CDABHN Cn1cnc(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1 ZINC000291525760 534804312 /nfs/dbraw/zinc/80/43/12/534804312.db2.gz PKGOITWVHHTKQG-CYBMUJFWSA-N 0 3 297.362 1.440 40 0 CDABHN Cc1ccc2[nH]c3c(ncn(CCN(C)C)c3=O)c2c1 ZINC000004808353 1163371331 /nfs/dbraw/zinc/37/13/31/1163371331.db2.gz NRNLQTGQEKIPNU-UHFFFAOYSA-N 0 3 270.336 1.748 40 0 CDABHN c1ncc(O[C@@H]2C[C@@H]3CN(CC4CC4)CCN3C2)cn1 ZINC000096055015 185075424 /nfs/dbraw/zinc/07/54/24/185075424.db2.gz GIZHOTULGCNHQK-ZIAGYGMSSA-N 0 3 274.368 1.024 40 0 CDABHN c1ccc(CO[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)nc1 ZINC000096055127 185076035 /nfs/dbraw/zinc/07/60/35/185076035.db2.gz XFZIQEZBAUMNGZ-IRXDYDNUSA-N 0 3 287.407 1.767 40 0 CDABHN CN(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096053913 185076505 /nfs/dbraw/zinc/07/65/05/185076505.db2.gz DDLZWKLCCKHDCY-ZIAGYGMSSA-N 0 3 291.370 1.871 40 0 CDABHN C[C@H]1CN(CCCCNC(=O)[C@@H]2CCCOC2)C[C@H](C)O1 ZINC000085456234 179067881 /nfs/dbraw/zinc/06/78/81/179067881.db2.gz JOEOGIXRYNCBEB-SOUVJXGZSA-N 0 3 298.427 1.419 40 0 CDABHN NCC(=O)N1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079393806 356989177 /nfs/dbraw/zinc/98/91/77/356989177.db2.gz NACRROLINSVOBU-OAHLLOKOSA-N 0 3 273.380 1.211 40 0 CDABHN NCC(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404310 356991545 /nfs/dbraw/zinc/99/15/45/356991545.db2.gz NPGBTYVYFSQFSI-INIZCTEOSA-N 0 3 287.407 1.601 40 0 CDABHN O=C(NC1CCN(CCO)CC1)OCc1ccccc1 ZINC000079410890 356993451 /nfs/dbraw/zinc/99/34/51/356993451.db2.gz GRQLFMUQMMIMHU-UHFFFAOYSA-N 0 3 278.352 1.370 40 0 CDABHN COc1ccc(OC)c(NC(=O)[C@H]2CCCN(C)C2)c1 ZINC000082332079 358160857 /nfs/dbraw/zinc/16/08/57/358160857.db2.gz YLIGKPBAHZMKCJ-NSHDSACASA-N 0 3 278.352 1.984 40 0 CDABHN COc1cc2c(cc1OC)[C@H](CCCO)NCC2 ZINC000004262567 358577706 /nfs/dbraw/zinc/57/77/06/358577706.db2.gz ATYQDEIGHYQNLP-LBPRGKRZSA-N 0 3 251.326 1.663 40 0 biogenic,in-vitro CDABHN Cc1ccc(C[N@H+]2CC[C@@H](N(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198694 358717497 /nfs/dbraw/zinc/71/74/97/358717497.db2.gz HQRWHMJJEVALCL-HUUCEWRRSA-N 0 3 276.380 1.974 40 0 CDABHN Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198694 358717499 /nfs/dbraw/zinc/71/74/99/358717499.db2.gz HQRWHMJJEVALCL-HUUCEWRRSA-N 0 3 276.380 1.974 40 0 CDABHN COCCN1CCC[C@@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203228 358719000 /nfs/dbraw/zinc/71/90/00/358719000.db2.gz PEZINMJSHPJKIF-OAHLLOKOSA-N 0 3 293.367 1.392 40 0 CDABHN O=C1CCC2(CCC(NCc3ccccn3)CC2)N1 ZINC000096228516 358724208 /nfs/dbraw/zinc/72/42/08/358724208.db2.gz XHWJRDRENNWFMI-UHFFFAOYSA-N 0 3 259.353 1.763 40 0 CDABHN CC(C)NC(=O)c1cc2c(nc1N(C)C)CCN(C)CC2 ZINC000096260347 358729517 /nfs/dbraw/zinc/72/95/17/358729517.db2.gz DQXLDMPRLSOFRG-UHFFFAOYSA-N 0 3 290.411 1.316 40 0 CDABHN COc1ccc(C)c2c(N3CCNCC3)ccnc12 ZINC000215238837 358880360 /nfs/dbraw/zinc/88/03/60/358880360.db2.gz JSJBDPBKIOOKRC-UHFFFAOYSA-N 0 3 257.337 1.961 40 0 CDABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289681 360120390 /nfs/dbraw/zinc/12/03/90/360120390.db2.gz YESKRMIKCMUCFH-SGMGOOAPSA-N 0 3 286.416 1.009 40 0 biogenic,in-vitro CDABHN C[C@H](NCCCN1CCOCC1)C(=O)NC1CCCCC1 ZINC000035312109 370003659 /nfs/dbraw/zinc/00/36/59/370003659.db2.gz VVEGDZORPPLSSB-AWEZNQCLSA-N 0 3 297.443 1.136 40 0 CDABHN CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)COC)cc1 ZINC000218451894 371988835 /nfs/dbraw/zinc/98/88/35/371988835.db2.gz FOVIHOKEFKTLNW-KFWWJZLASA-N 0 3 297.420 1.351 40 0 CDABHN CN1C[C@@H]2CN(Cc3ccccn3)CCN2C(C)(C)C1 ZINC000253407955 373708473 /nfs/dbraw/zinc/70/84/73/373708473.db2.gz WYFKYWURXVLRQY-OAHLLOKOSA-N 0 3 274.412 1.292 40 0 biogenic,in-vitro CDABHN N[C@@H]1COC[C@@H]1Oc1ccc(Br)cc1 ZINC000117371578 374538864 /nfs/dbraw/zinc/53/88/64/374538864.db2.gz GRTOEAAOPRPWSN-ZJUUUORDSA-N 0 3 258.115 1.554 40 0 CDABHN Cc1ccc(CCN2CCC(NC(N)=O)CC2)cc1 ZINC000079466109 374810094 /nfs/dbraw/zinc/81/00/94/374810094.db2.gz VZVUHDJZCUTHQQ-UHFFFAOYSA-N 0 3 261.369 1.670 40 0 CDABHN CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCCCN1 ZINC000257285114 190027183 /nfs/dbraw/zinc/02/71/83/190027183.db2.gz PFSLVTYEVAYYFK-NSHDSACASA-N 0 3 273.340 1.246 40 0 CDABHN Cc1ncc(-c2cnc(C3CCN(C)CC3)cn2)n1C ZINC000257291393 190027461 /nfs/dbraw/zinc/02/74/61/190027461.db2.gz QGTKDFYNEIZCTK-UHFFFAOYSA-N 0 3 271.368 1.995 40 0 CDABHN CCN(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409675 285023318 /nfs/dbraw/zinc/02/33/18/285023318.db2.gz ZSJLVLHBECTLJQ-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN CC(C)Oc1ncc([C@H](CN)N2CCCC2)cn1 ZINC000096511167 390530768 /nfs/dbraw/zinc/53/07/68/390530768.db2.gz CVASWBCQBNNNLS-LBPRGKRZSA-N 0 3 250.346 1.359 40 0 CDABHN CC(C)N1CCOC[C@]2(CN(CC3CC3)CCO2)C1 ZINC000096049757 390912399 /nfs/dbraw/zinc/91/23/99/390912399.db2.gz DEYWVAAANHORRH-HNNXBMFYSA-N 0 3 268.401 1.208 40 0 CDABHN C[C@H]1[C@H](c2ccccc2)[N@H+](C)CC[C@]12NC(=O)[N-]C2=O ZINC000004011777 391417573 /nfs/dbraw/zinc/41/75/73/391417573.db2.gz FQTIIVLASVNVSP-NVBFEUDRSA-N 0 3 273.336 1.278 40 0 CDABHN C[C@H]1[C@H](c2ccccc2)[N@@H+](C)CC[C@]12NC(=O)[N-]C2=O ZINC000004011777 391417580 /nfs/dbraw/zinc/41/75/80/391417580.db2.gz FQTIIVLASVNVSP-NVBFEUDRSA-N 0 3 273.336 1.278 40 0 CDABHN C[C@@H](c1ccccc1)N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 ZINC000005437185 170099034 /nfs/dbraw/zinc/09/90/34/170099034.db2.gz VPTURGDGEBLVCX-WCQGTBRESA-N 0 3 296.417 1.897 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000022173807 171369166 /nfs/dbraw/zinc/36/91/66/171369166.db2.gz SVLWYWYUBOCXDQ-MBNYWOFBSA-N 0 3 294.395 1.813 40 0 CDABHN CC(C)N(C(=O)CN)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391112 277523499 /nfs/dbraw/zinc/52/34/99/277523499.db2.gz ZPVRCGFXCQLOQU-UHFFFAOYSA-N 0 3 299.415 1.582 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079409270 279299425 /nfs/dbraw/zinc/29/94/25/279299425.db2.gz VBFPJQJIDUCNOW-LBPRGKRZSA-N 0 3 299.415 1.582 40 0 CDABHN COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)N(C)CC[C@@]314 ZINC000000517836 295278587 /nfs/dbraw/zinc/27/85/87/295278587.db2.gz LLPOLZWFYMWNKH-FVEFGIFQSA-N 0 3 299.370 1.933 40 0 CDABHN CC[C@@H](C)OC(=O)CN1c2ccccc2CC[C@H](N)C1=O ZINC000040442806 1165959155 /nfs/dbraw/zinc/95/91/55/1165959155.db2.gz OGFBGOGTSXEOKK-YPMHNXCESA-N 0 3 290.363 1.635 40 0 CDABHN CC[C@H](C)OC(=O)CN1c2ccccc2CC[C@H](N)C1=O ZINC000040442807 1165959366 /nfs/dbraw/zinc/95/93/66/1165959366.db2.gz OGFBGOGTSXEOKK-AAEUAGOBSA-N 0 3 290.363 1.635 40 0 CDABHN CC(C)C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096080871 185090745 /nfs/dbraw/zinc/09/07/45/185090745.db2.gz ODNSROBKFBDQJA-GASCZTMLSA-N 0 3 273.380 1.628 40 0 CDABHN CN(C)c1nc([C@@H]2CCCN(CCO)C2)cn2cccc12 ZINC000585178751 342232592 /nfs/dbraw/zinc/23/25/92/342232592.db2.gz FUWQQVAGUJYVDM-CYBMUJFWSA-N 0 3 288.395 1.572 40 0 CDABHN COc1ccc2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]314 ZINC000000000583 346023660 /nfs/dbraw/zinc/02/36/60/346023660.db2.gz LLPOLZWFYMWNKH-RHMWETHNSA-N 0 3 299.370 1.933 40 0 CDABHN O=C1CCC[C@@H]2[C@@H](CCN2CCOc2ccc(F)cc2)N1 ZINC000019713258 348736582 /nfs/dbraw/zinc/73/65/82/348736582.db2.gz JIJYSRIQIJSQHJ-HUUCEWRRSA-N 0 3 292.354 1.948 40 0 CDABHN CCn1nnc(C)c1CNC[C@]1(O)CCCC1(C)C ZINC000333552315 363027263 /nfs/dbraw/zinc/02/72/63/363027263.db2.gz MTCJKOCZMZXHLC-CQSZACIVSA-N 0 3 266.389 1.637 40 0 CDABHN CNC(=O)CN1CCC(CN(C)c2cccc(C)n2)CC1 ZINC000157656386 188330415 /nfs/dbraw/zinc/33/04/15/188330415.db2.gz SAXFXUKKOTZKQS-UHFFFAOYSA-N 0 3 290.411 1.284 40 0 CDABHN OC[C@H]1CCCN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405935 356484735 /nfs/dbraw/zinc/48/47/35/356484735.db2.gz BRFMGIFYRIRRDH-ZDUSSCGKSA-N 0 3 284.363 1.743 40 0 CDABHN CCCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019501174 356487846 /nfs/dbraw/zinc/48/78/46/356487846.db2.gz ARZVVBBVHGXFAS-UHFFFAOYSA-N 0 3 288.395 1.628 40 0 CDABHN C[C@H](N)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000019079596 356474592 /nfs/dbraw/zinc/47/45/92/356474592.db2.gz KRKQHJGEKMMAOI-LBPRGKRZSA-N 0 3 290.363 1.304 40 0 CDABHN CN1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000064142120 357520373 /nfs/dbraw/zinc/52/03/73/357520373.db2.gz SGZVZXBJGQCOHK-UHFFFAOYSA-N 0 3 250.317 1.784 40 0 CDABHN CN(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1cccnc1 ZINC000096200847 358718504 /nfs/dbraw/zinc/71/85/04/358718504.db2.gz BTYBTBPPPDRRIC-CVEARBPZSA-N 0 3 298.390 1.797 40 0 CDABHN Cc1ccccc1N1C[C@@]2(CCN(CCO)C2)CC1=O ZINC000096239425 358724962 /nfs/dbraw/zinc/72/49/62/358724962.db2.gz WEPAXOOTBSFMOL-INIZCTEOSA-N 0 3 274.364 1.416 40 0 CDABHN CO[C@@H]1C[C@H]2CN(Cc3cccc(C)n3)CCN2C1 ZINC000096249526 358726613 /nfs/dbraw/zinc/72/66/13/358726613.db2.gz KIANPNVETHFGCW-LSDHHAIUSA-N 0 3 261.369 1.295 40 0 CDABHN c1csc(COC[C@@H]2CC[C@H]3NCCO[C@@H]32)n1 ZINC000096250116 358726903 /nfs/dbraw/zinc/72/69/03/358726903.db2.gz KZPUTSPATLCNNS-HOSYDEDBSA-N 0 3 254.355 1.427 40 0 CDABHN Cn1cc(-c2ncnc3c2CCN([C@@H]2CCOC2)CC3)cn1 ZINC000096255221 358728330 /nfs/dbraw/zinc/72/83/30/358728330.db2.gz LTNLGLGWMRLCBJ-CYBMUJFWSA-N 0 3 299.378 1.067 40 0 CDABHN CCN(C(=O)CN)C1CCN(Cc2ccccc2)CC1 ZINC000079404213 284149593 /nfs/dbraw/zinc/14/95/93/284149593.db2.gz USMVHOOSQFTWLH-UHFFFAOYSA-N 0 3 275.396 1.458 40 0 CDABHN O[C@@H](CNC1CC1)c1ccc(Br)cn1 ZINC000130122113 374043411 /nfs/dbraw/zinc/04/34/11/374043411.db2.gz ZJCUMJUPCWRNMK-JTQLQIEISA-N 0 3 257.131 1.630 40 0 CDABHN O=c1[n-]c([C@@H]2CC[NH2+]C2)nc2c1CCN(C1CCCC1)C2 ZINC000257335471 374421833 /nfs/dbraw/zinc/42/18/33/374421833.db2.gz YKGNIHMLFPJZHF-LLVKDONJSA-N 0 3 288.395 1.560 40 0 CDABHN Cc1cc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)no1 ZINC000132507094 375507889 /nfs/dbraw/zinc/50/78/89/375507889.db2.gz RROTZRKVZPSHEU-JTQLQIEISA-N 0 3 281.356 1.857 40 0 CDABHN OCCCCNCc1cnn(CC(F)(F)F)c1 ZINC000256051861 190003646 /nfs/dbraw/zinc/00/36/46/190003646.db2.gz KUDJTHGORLXUMS-UHFFFAOYSA-N 0 3 251.252 1.308 40 0 CDABHN CCN(CC)CCNCc1cnn(CC(F)F)c1 ZINC000256054902 190005793 /nfs/dbraw/zinc/00/57/93/190005793.db2.gz YGSSRDYPMQTNRJ-UHFFFAOYSA-N 0 3 260.332 1.580 40 0 CDABHN COCCN1CCC[C@@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256676 190021581 /nfs/dbraw/zinc/02/15/81/190021581.db2.gz KMLLXLWXVLHALP-GFCCVEGCSA-N 0 3 287.367 1.693 40 0 CDABHN O=c1c2c(nc(C3CC3)n1Cc1cccnc1)CCNC2 ZINC000096516491 390533823 /nfs/dbraw/zinc/53/38/23/390533823.db2.gz XYJOJWIHPYASKR-UHFFFAOYSA-N 0 3 282.347 1.210 40 0 CDABHN CN1CCN(c2ncccc2[C@@H]2CCCCN2C)CC1 ZINC000072216596 390622250 /nfs/dbraw/zinc/62/22/50/390622250.db2.gz DRDZMYRORBTDAE-HNNXBMFYSA-N 0 3 274.412 1.990 40 0 CDABHN NC[C@H](c1ccccc1Br)N1CCOCC1 ZINC000019510656 391478617 /nfs/dbraw/zinc/47/86/17/391478617.db2.gz QWXBRRAQWJPYBQ-GFCCVEGCSA-N 0 3 285.185 1.781 40 0 CDABHN c1ccc2c(c1)nc(N1CCNCC1)n2C1CSC1 ZINC000004624157 169991142 /nfs/dbraw/zinc/99/11/42/169991142.db2.gz LPNPQAZGGJZJPZ-UHFFFAOYSA-N 0 3 274.393 1.734 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165627 171365575 /nfs/dbraw/zinc/36/55/75/171365575.db2.gz HUYPIKDZTWEIMM-TYNCELHUSA-N 0 3 294.395 1.813 40 0 CDABHN CCN(CC)CCNCC(=O)N1c2ccccc2C[C@@H]1C ZINC000022586242 171393559 /nfs/dbraw/zinc/39/35/59/171393559.db2.gz OXNJBNUHZSCFJF-AWEZNQCLSA-N 0 3 289.423 1.896 40 0 CDABHN CN([C@H]1CCCNC1)S(=O)(=O)c1cccs1 ZINC000072203298 176341323 /nfs/dbraw/zinc/34/13/23/176341323.db2.gz MHAZBZGQGBDIOB-VIFPVBQESA-N 0 3 260.384 1.121 40 0 CDABHN C[C@@H]1Oc2ncc(Cl)cc2N(CCN(C)C)C1=O ZINC000005723217 274426000 /nfs/dbraw/zinc/42/60/00/274426000.db2.gz PJGMSCQORHCNPE-QMMMGPOBSA-N 0 3 269.732 1.411 40 0 CDABHN O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CNC[C@H]21 ZINC000306124945 275032572 /nfs/dbraw/zinc/03/25/72/275032572.db2.gz CCTOPIBNKMBDMB-UKRRQHHQSA-N 0 3 286.356 1.591 40 0 CDABHN CCCN1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2CC1CC1 ZINC000306141446 276014283 /nfs/dbraw/zinc/01/42/83/276014283.db2.gz VWKUIKSVVUPRLY-LSDHHAIUSA-N 0 3 273.380 1.989 40 0 CDABHN COC(=O)[C@]12CC1C(=O)c1cc(Cl)ccc1O2 ZINC000085392965 277147776 /nfs/dbraw/zinc/14/77/76/277147776.db2.gz GUAYSQRGZAXTAW-UFBFGSQYSA-N 0 3 252.653 1.847 40 0 CDABHN COCCn1ccnc1[C@H]1CNCc2ccccc21 ZINC000306142999 277243263 /nfs/dbraw/zinc/24/32/63/277243263.db2.gz XQFLTAWPDZVZMP-AWEZNQCLSA-N 0 3 257.337 1.765 40 0 CDABHN CC(=O)N(C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079418104 277974178 /nfs/dbraw/zinc/97/41/78/277974178.db2.gz GVVGBXZQSROWQD-CABCVRRESA-N 0 3 295.427 1.362 40 0 CDABHN CCOC(=O)[C@H]1[C@@H](N(C)C)C(C)(C)[C@H]1C(=O)OCC ZINC000005340732 279623174 /nfs/dbraw/zinc/62/31/74/279623174.db2.gz WZCOQWVIQBLQKQ-GMTAPVOTSA-N 0 3 271.357 1.315 40 0 CDABHN CN(C(=O)OC(C)(C)C)C1CCC(NC(=O)CN)CC1 ZINC000079409090 288871749 /nfs/dbraw/zinc/87/17/49/288871749.db2.gz YVAGOYXVYDMXGK-UHFFFAOYSA-N 0 3 285.388 1.239 40 0 CDABHN Cc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1Cl ZINC000260777622 328068919 /nfs/dbraw/zinc/06/89/19/328068919.db2.gz QEACSVXELWUVOW-SNVBAGLBSA-N 0 3 274.773 1.516 40 0 CDABHN CCNc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717562 333175918 /nfs/dbraw/zinc/17/59/18/333175918.db2.gz KXQNEMYLJRVTLO-UHFFFAOYSA-N 0 3 260.345 1.285 40 0 CDABHN CCOC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039318 185069191 /nfs/dbraw/zinc/06/91/91/185069191.db2.gz WPFGANVDWNSCQZ-CVEARBPZSA-N 0 3 293.411 1.828 40 0 CDABHN CN1CCC[C@@]2(C1)CN(Cc1nccs1)CCO2 ZINC000096049063 185073125 /nfs/dbraw/zinc/07/31/25/185073125.db2.gz XLVHOLYAMPSFAF-CYBMUJFWSA-N 0 3 267.398 1.440 40 0 CDABHN C[C@H]1N(C)C(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062222 185083127 /nfs/dbraw/zinc/08/31/27/185083127.db2.gz YFLJVOAUBDTUEI-GFCCVEGCSA-N 0 3 294.420 1.960 40 0 CDABHN CC[C@@H](C)N1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099473 342212243 /nfs/dbraw/zinc/21/22/43/342212243.db2.gz MBXKHOHUZYIKIJ-IUODEOHRSA-N 0 3 274.368 1.704 40 0 CDABHN CN(C)[C@@H]1CN(Cc2cccnc2)C[C@@H]2CCCO[C@H]12 ZINC000096040580 282227663 /nfs/dbraw/zinc/22/76/63/282227663.db2.gz DRNFPWLZCZTDMB-XHSDSOJGSA-N 0 3 275.396 1.623 40 0 CDABHN CO[C@@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000247881911 362136361 /nfs/dbraw/zinc/13/63/61/362136361.db2.gz QJAVIZPYMQJTAS-INIZCTEOSA-N 0 3 271.364 1.956 40 0 CDABHN Cn1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cn1 ZINC000503722415 362302802 /nfs/dbraw/zinc/30/28/02/362302802.db2.gz BKJOGTNJQQRGBB-DLBZAZTESA-N 0 3 297.406 1.664 40 0 CDABHN OC[C@H]1C[C@H](NCc2ccc(F)cc2F)C[C@H]1O ZINC000085468330 179073397 /nfs/dbraw/zinc/07/33/97/179073397.db2.gz OLNZAZVQTPDZEU-SUZMYJTESA-N 0 3 257.280 1.186 40 0 CDABHN COC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000107711030 186188094 /nfs/dbraw/zinc/18/80/94/186188094.db2.gz QDVIMXPIVJKTEN-CABCVRRESA-N 0 3 279.384 1.438 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497850 356033121 /nfs/dbraw/zinc/03/31/21/356033121.db2.gz VQNJVEUIDSWMDN-CQSZACIVSA-N 0 3 289.379 1.534 40 0 CDABHN CC(C)N(C[C@@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408080 356992186 /nfs/dbraw/zinc/99/21/86/356992186.db2.gz LMZSTACSOOEMGX-CYBMUJFWSA-N 0 3 286.416 1.946 40 0 CDABHN C[C@H](N)C(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079409561 356992591 /nfs/dbraw/zinc/99/25/91/356992591.db2.gz AUIUJHARDQIIQP-JTQLQIEISA-N 0 3 285.388 1.192 40 0 CDABHN CC(C)N(Cc1nccc2ccccc21)C(=O)CN ZINC000079422189 356996298 /nfs/dbraw/zinc/99/62/98/356996298.db2.gz HKZHDORBJCKAGM-UHFFFAOYSA-N 0 3 257.337 1.931 40 0 CDABHN Cc1ccc(OCC(=O)NC2CCN(C)CC2)c(C)c1 ZINC000047829236 357165684 /nfs/dbraw/zinc/16/56/84/357165684.db2.gz NJPXQJVVWZTVAT-UHFFFAOYSA-N 0 3 276.380 1.893 40 0 CDABHN Cc1cc(N2CCNCC2)nc(N2CCCCC2)n1 ZINC000008731107 358388386 /nfs/dbraw/zinc/38/83/86/358388386.db2.gz DATXPODXGGIQEY-UHFFFAOYSA-N 0 3 261.373 1.185 40 0 CDABHN O=C(C1CCC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161634 358711102 /nfs/dbraw/zinc/71/11/02/358711102.db2.gz PZSNYZPRMFFVEL-GASCZTMLSA-N 0 3 285.391 1.772 40 0 CDABHN C[C@H]1N(C)C(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201498 358718331 /nfs/dbraw/zinc/71/83/31/358718331.db2.gz KTPJYPUMOUGRAC-GFCCVEGCSA-N 0 3 294.420 1.960 40 0 CDABHN OCCN1CCC(F)(F)[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000096239818 358724882 /nfs/dbraw/zinc/72/48/82/358724882.db2.gz YEVCYWIWILAQDQ-ZDUSSCGKSA-N 0 3 298.337 1.006 40 0 CDABHN COCCN1CC[C@H]2CN(C(=O)CC3CCCC3)C[C@H]2C1 ZINC000096246096 358725360 /nfs/dbraw/zinc/72/53/60/358725360.db2.gz VYEJUDTYNUWZEU-JKSUJKDBSA-N 0 3 294.439 1.993 40 0 CDABHN O=C(NCCN1CCCC1)c1cc(Br)ccn1 ZINC000098175361 358816027 /nfs/dbraw/zinc/81/60/27/358816027.db2.gz DDJVOUZCNAXOGO-UHFFFAOYSA-N 0 3 298.184 1.670 40 0 CDABHN CCN(C(=O)OC(C)(C)C)C1CCC(NC(=O)CN)CC1 ZINC000079409195 284193292 /nfs/dbraw/zinc/19/32/92/284193292.db2.gz ITJISYGAMQNLNP-UHFFFAOYSA-N 0 3 299.415 1.630 40 0 CDABHN CCN(C(C)=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079417981 284263139 /nfs/dbraw/zinc/26/31/39/284263139.db2.gz SYJXTMADJWQXPQ-MJBXVCDLSA-N 0 3 283.416 1.266 40 0 CDABHN FC(F)(F)Cn1cc(CNC[C@@H]2CCCO2)cn1 ZINC000256050505 190002964 /nfs/dbraw/zinc/00/29/64/190002964.db2.gz FGULODHIHFMCNC-JTQLQIEISA-N 0 3 263.263 1.714 40 0 CDABHN Cc1ncc(-c2cc(C)nc([C@H]3CCCN3)n2)n1C ZINC000257201089 190010586 /nfs/dbraw/zinc/01/05/86/190010586.db2.gz AGFWGGFGOJVQHH-LLVKDONJSA-N 0 3 257.341 1.918 40 0 CDABHN Cn1nccc1CN1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257308559 190031563 /nfs/dbraw/zinc/03/15/63/190031563.db2.gz TXEUOXJRQPVNEE-UHFFFAOYSA-N 0 3 298.394 1.677 40 0 CDABHN OC1(CN2CCC[C@@H](c3cnccn3)C2)CCOCC1 ZINC000257299188 190029775 /nfs/dbraw/zinc/02/97/75/190029775.db2.gz RPBIVKGVWJRWLB-CYBMUJFWSA-N 0 3 277.368 1.198 40 0 CDABHN Cc1cncc([C@H]2CCCN(CC3(O)CCOCC3)C2)n1 ZINC000257335523 190036652 /nfs/dbraw/zinc/03/66/52/190036652.db2.gz YKNUTEVTKYJDTK-AWEZNQCLSA-N 0 3 291.395 1.506 40 0 CDABHN CC(C)(C)CNC1(Cc2cc(C(C)(C)O)on2)COC1 ZINC000067897929 377287211 /nfs/dbraw/zinc/28/72/11/377287211.db2.gz JFMXHXHGJNSYRZ-UHFFFAOYSA-N 0 3 282.384 1.849 40 0 biogenic,in-vitro CDABHN COC[C@@H]1CN(CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059822 390912315 /nfs/dbraw/zinc/91/23/15/390912315.db2.gz CYGQKBPYFZPKBT-AWEZNQCLSA-N 0 3 279.384 1.392 40 0 CDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087603 390912694 /nfs/dbraw/zinc/91/26/94/390912694.db2.gz GSHMFAQRINBXTN-INIZCTEOSA-N 0 3 294.395 1.450 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158618 390913302 /nfs/dbraw/zinc/91/33/02/390913302.db2.gz ACCVJUUYORMHMH-LBPRGKRZSA-N 0 3 280.347 1.305 40 0 CDABHN Cc1ccc(C(=O)N2CCC3(CC2)CNCCO3)cc1 ZINC000096157233 390913347 /nfs/dbraw/zinc/91/33/47/390913347.db2.gz GMMNADUOYCQLGZ-UHFFFAOYSA-N 0 3 274.364 1.590 40 0 CDABHN CCOC(=O)[C@H]1C(C)[C@H](C(=O)OCC)[C@H](C)N[C@@H]1C ZINC000004404176 285930693 /nfs/dbraw/zinc/93/06/93/285930693.db2.gz LORBKPOPJYPMLM-YAXHFPQCSA-N 0 3 271.357 1.361 40 0 CDABHN CN(C)CCNC(=S)Nc1ccc(F)c(F)c1 ZINC000007571432 170291028 /nfs/dbraw/zinc/29/10/28/170291028.db2.gz PDFSGKDTBGLXCS-UHFFFAOYSA-N 0 3 259.325 1.813 40 0 CDABHN Cc1nc([C@H]2CC[N@H+](Cc3ccncc3)C2)cc(=O)[n-]1 ZINC000019285282 170772930 /nfs/dbraw/zinc/77/29/30/170772930.db2.gz PHOVIDZIIITTCY-ZDUSSCGKSA-N 0 3 270.336 1.463 40 0 CDABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccncc3)C2)cc(=O)[n-]1 ZINC000019285282 170772931 /nfs/dbraw/zinc/77/29/31/170772931.db2.gz PHOVIDZIIITTCY-ZDUSSCGKSA-N 0 3 270.336 1.463 40 0 CDABHN COc1cccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022163620 171364891 /nfs/dbraw/zinc/36/48/91/171364891.db2.gz NIWVOHGOFAIGBA-SLEUVZQESA-N 0 3 264.369 1.804 40 0 CDABHN Cc1ccc([C@@]2(O)CCN(Cc3cnn(C)c3)C2)cc1 ZINC000072367986 176382392 /nfs/dbraw/zinc/38/23/92/176382392.db2.gz ODOKWTJOKSCPHS-MRXNPFEDSA-N 0 3 271.364 1.822 40 0 CDABHN Cc1cc(Nc2ncccn2)nc([C@H]2CCN(C)C2)n1 ZINC000072382346 176388258 /nfs/dbraw/zinc/38/82/58/176388258.db2.gz CYAXKUDIPZLWFH-NSHDSACASA-N 0 3 270.340 1.738 40 0 CDABHN Cc1nc(C(=O)N2CCCC2)cc([C@@H]2CCCN(C)C2)n1 ZINC000072382864 176388383 /nfs/dbraw/zinc/38/83/83/176388383.db2.gz NESNLYDACRCPIG-CYBMUJFWSA-N 0 3 288.395 1.830 40 0 CDABHN Cc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)s1 ZINC000072397661 176395227 /nfs/dbraw/zinc/39/52/27/176395227.db2.gz MUPLHMGBHUJIAM-RAIGVLPGSA-N 0 3 266.410 1.696 40 0 CDABHN CN1CCC[C@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087413 423940968 /nfs/dbraw/zinc/94/09/68/423940968.db2.gz VWZKXMNKLXPKSJ-QGZVFWFLSA-N 0 3 289.423 1.265 40 0 CDABHN CN1CCC2(CC1)c1cc(C(=O)NC3CC3)ccc1NC2=O ZINC000105050690 273872197 /nfs/dbraw/zinc/87/21/97/273872197.db2.gz WSWYTZVBDYDOOD-UHFFFAOYSA-N 0 3 299.374 1.494 40 0 CDABHN COC(=O)[C@@]12CC1C(=O)c1cc(Br)ccc1O2 ZINC000085392969 277379356 /nfs/dbraw/zinc/37/93/56/277379356.db2.gz SOKHQAKXQXESPD-PRHODGIISA-N 0 3 297.104 1.956 40 0 CDABHN CCCn1c2ccccc2[nH]c1=NC(=O)[C@H]1CCCN1 ZINC000073342145 521637434 /nfs/dbraw/zinc/63/74/34/521637434.db2.gz APIFVYXCUQEGMN-GFCCVEGCSA-N 0 3 272.352 1.559 40 0 CDABHN COc1ccc(NC(=O)C2CCN(C)CC2)cc1OC ZINC000074713376 567903848 /nfs/dbraw/zinc/90/38/48/567903848.db2.gz PRLDYTCYLWCPES-UHFFFAOYSA-N 0 3 278.352 1.984 40 0 CDABHN c1cn(C[C@H]2CO[C@@]3(C2)COCCN(CC2CC2)C3)cn1 ZINC000096052081 185074939 /nfs/dbraw/zinc/07/49/39/185074939.db2.gz PKAXKJCIPPEIKT-JKSUJKDBSA-N 0 3 291.395 1.401 40 0 CDABHN CC(C)N1CCCn2nnc(CN3CCCC3)c2C1 ZINC000096084690 185091897 /nfs/dbraw/zinc/09/18/97/185091897.db2.gz TWPQZTIXRQXRHE-UHFFFAOYSA-N 0 3 263.389 1.488 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096108620 185099799 /nfs/dbraw/zinc/09/97/99/185099799.db2.gz KPAQDWJNNOCXPD-CHWSQXEVSA-N 0 3 253.367 1.843 40 0 CDABHN CCC(CC)C(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1 ZINC000253406565 282148200 /nfs/dbraw/zinc/14/82/00/282148200.db2.gz USVVSJRMWFCCBF-CQSZACIVSA-N 0 3 281.444 1.659 40 0 biogenic,in-vitro CDABHN CN(C)C(=O)COCC[C@@H]1Cn2cccc2CN(C)C1 ZINC000585095312 342211402 /nfs/dbraw/zinc/21/14/02/342211402.db2.gz OVDCUEFRTLAGMW-ZDUSSCGKSA-N 0 3 279.384 1.045 40 0 CDABHN O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585282026 342258471 /nfs/dbraw/zinc/25/84/71/342258471.db2.gz GAEJATLMAWPEEP-HOTGVXAUSA-N 0 3 295.354 1.555 40 0 CDABHN CCn1nnc(C)c1CNC[C@@]1(O)CCCC1(C)C ZINC000333552313 363026499 /nfs/dbraw/zinc/02/64/99/363026499.db2.gz MTCJKOCZMZXHLC-AWEZNQCLSA-N 0 3 266.389 1.637 40 0 CDABHN CCCNCC(=O)Nc1ccc(C(=O)OC)cc1 ZINC000001671710 355945891 /nfs/dbraw/zinc/94/58/91/355945891.db2.gz QUMKUPNLCZQNIU-UHFFFAOYSA-N 0 3 250.298 1.411 40 0 CDABHN CCN(CC)CCNc1n[nH]c(=O)c2ccccc21 ZINC000001866298 355953577 /nfs/dbraw/zinc/95/35/77/355953577.db2.gz WOWSRNNXNJLTEJ-UHFFFAOYSA-N 0 3 260.341 1.677 40 0 CDABHN Cc1nccn1CC1(O)CCN(Cc2cccnc2)CC1 ZINC000019288012 356480103 /nfs/dbraw/zinc/48/01/03/356480103.db2.gz YYKHMJAYXXYUGJ-UHFFFAOYSA-N 0 3 286.379 1.614 40 0 CDABHN CN(CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391640 356987987 /nfs/dbraw/zinc/98/79/87/356987987.db2.gz FDZGWLMNRPIKMQ-AWEZNQCLSA-N 0 3 278.352 1.322 40 0 CDABHN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CN ZINC000079390828 356988521 /nfs/dbraw/zinc/98/85/21/356988521.db2.gz TVDCOQJLCSEKIC-UHFFFAOYSA-N 0 3 285.388 1.051 40 0 CDABHN CCN(C[C@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407990 356990680 /nfs/dbraw/zinc/99/06/80/356990680.db2.gz DZHDEVWNQKHCEV-LBPRGKRZSA-N 0 3 272.389 1.558 40 0 CDABHN CC(C)(C)OC(=O)NC[C@H]1CCCN(CCO)C1 ZINC000079407847 356991010 /nfs/dbraw/zinc/99/10/10/356991010.db2.gz BMVGUWHUYRVAJF-LLVKDONJSA-N 0 3 258.362 1.215 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409980 356992162 /nfs/dbraw/zinc/99/21/62/356992162.db2.gz KBFUYBSJGVTIKU-NEPJUHHUSA-N 0 3 299.415 1.343 40 0 CDABHN c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)nc1 ZINC000096055853 358707198 /nfs/dbraw/zinc/70/71/98/358707198.db2.gz UYAAVQCBKHCCPN-CABCVRRESA-N 0 3 281.363 1.725 40 0 CDABHN Cn1cc(CN2CC[C@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000096200339 358718487 /nfs/dbraw/zinc/71/84/87/358718487.db2.gz BVOSDTKYWWFVBU-HOTGVXAUSA-N 0 3 271.364 1.598 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 ZINC000096261358 358729778 /nfs/dbraw/zinc/72/97/78/358729778.db2.gz WGMBYJXYJFCUST-CVEARBPZSA-N 0 3 289.423 1.322 40 0 CDABHN COCCNCc1cc2ccc(OC)cc2[nH]c1=O ZINC000013998484 358827204 /nfs/dbraw/zinc/82/72/04/358827204.db2.gz SIRPVRQLHZTMHU-UHFFFAOYSA-N 0 3 262.309 1.273 40 0 CDABHN Cc1cc(C(=O)NCCN2CCCCC2)c(C)n1C ZINC000298075395 200328204 /nfs/dbraw/zinc/32/82/04/200328204.db2.gz AYVAZHMHHTYVIN-UHFFFAOYSA-N 0 3 263.385 1.858 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000339470977 371921032 /nfs/dbraw/zinc/92/10/32/371921032.db2.gz KQWCSSHIRQMCBG-BFHYXJOUSA-N 0 3 295.427 1.282 40 0 CDABHN COCCCNCc1cnn(CC(F)(F)F)c1 ZINC000256051645 190003769 /nfs/dbraw/zinc/00/37/69/190003769.db2.gz JZYUQNFCVUAMOC-UHFFFAOYSA-N 0 3 251.252 1.572 40 0 CDABHN CN1CCC[C@@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239134 190017757 /nfs/dbraw/zinc/01/77/57/190017757.db2.gz HOBSIBXBSGWOSR-CQSZACIVSA-N 0 3 289.379 1.363 40 0 CDABHN CNc1ncc(CNCCc2ccccc2OC)cn1 ZINC000062717480 256721690 /nfs/dbraw/zinc/72/16/90/256721690.db2.gz XJYLBBYQKCCALB-UHFFFAOYSA-N 0 3 272.352 1.859 40 0 CDABHN CCn1cc2c(n1)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398889 390247662 /nfs/dbraw/zinc/24/76/62/390247662.db2.gz TYTXXYZOWCLJMB-UHFFFAOYSA-N 0 3 299.300 1.880 40 0 CDABHN COCCN1CC[C@@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158343 390913310 /nfs/dbraw/zinc/91/33/10/390913310.db2.gz NGHBZECWQYBRRX-OAHLLOKOSA-N 0 3 294.374 1.554 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688239 391589490 /nfs/dbraw/zinc/58/94/90/391589490.db2.gz VLUQFGBQDHELRD-RYUDHWBXSA-N 0 3 279.336 1.522 40 0 CDABHN C[C@@H](NCCN(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000022586207 287026536 /nfs/dbraw/zinc/02/65/36/287026536.db2.gz YKTYQTJPTLNLGO-JHJVBQTASA-N 0 3 255.406 1.031 40 0 CDABHN COC[C@@H]1CN(C)CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072354438 176374728 /nfs/dbraw/zinc/37/47/28/176374728.db2.gz CGZMPQORSMZKFE-GFCCVEGCSA-N 0 3 296.798 1.990 40 0 CDABHN O=c1cc(-c2ccccn2)nc(C2CC[NH2+]CC2)[n-]1 ZINC000019402570 275043431 /nfs/dbraw/zinc/04/34/31/275043431.db2.gz UOFBEFVGEOPYKN-UHFFFAOYSA-N 0 3 256.309 1.299 40 0 CDABHN CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 ZINC000096057530 185077254 /nfs/dbraw/zinc/07/72/54/185077254.db2.gz PQDKMLJKDVGRQH-MGPQQGTHSA-N 0 3 294.420 1.924 40 0 CDABHN CC(C)(C)OC(=O)N1CCC([C@@H]2COCCN2)CC1 ZINC000096945325 185135340 /nfs/dbraw/zinc/13/53/40/185135340.db2.gz WQEJFFVFCYYKOX-LBPRGKRZSA-N 0 3 270.373 1.622 40 0 CDABHN C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585103274 342212736 /nfs/dbraw/zinc/21/27/36/342212736.db2.gz ARAHLTJTEMZTKF-PBHICJAKSA-N 0 3 288.391 1.928 40 0 CDABHN CN(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936389 539098926 /nfs/dbraw/zinc/09/89/26/539098926.db2.gz VISKNHQIOAJQFV-GWCFXTLKSA-N 0 3 258.362 1.308 40 0 CDABHN CC(C)CN1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000248257990 362159910 /nfs/dbraw/zinc/15/99/10/362159910.db2.gz VGKQIWWCSFBJTP-UONOGXRCSA-N 0 3 259.353 1.494 40 0 CDABHN CN(CC(=O)N1CC[C@@]2(CCCO2)[C@@H](O)C1)C1CCCC1 ZINC000257275765 362582391 /nfs/dbraw/zinc/58/23/91/362582391.db2.gz NQUJRFYJZQVPOX-HOCLYGCPSA-N 0 3 296.411 1.003 40 0 CDABHN COc1cccc(CN2CCC[C@]3(CCNC3=O)CC2)n1 ZINC000108531405 186221625 /nfs/dbraw/zinc/22/16/25/186221625.db2.gz JEUQMNCTLLRTCY-INIZCTEOSA-N 0 3 289.379 1.582 40 0 CDABHN O[C@@H](CNC1CC1)c1cncc(Br)c1 ZINC000122889172 187057664 /nfs/dbraw/zinc/05/76/64/187057664.db2.gz JMNSFRSHNMNUFA-JTQLQIEISA-N 0 3 257.131 1.630 40 0 CDABHN O[C@H](CNC1CC1)c1cncc(Br)c1 ZINC000122888953 187057949 /nfs/dbraw/zinc/05/79/49/187057949.db2.gz JMNSFRSHNMNUFA-SNVBAGLBSA-N 0 3 257.131 1.630 40 0 CDABHN CCCC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019501627 356488182 /nfs/dbraw/zinc/48/81/82/356488182.db2.gz IMFAXAULTDGKPI-CYBMUJFWSA-N 0 3 274.368 1.586 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527280 356490221 /nfs/dbraw/zinc/49/02/21/356490221.db2.gz KTDKSIMZFIHISB-CQSZACIVSA-N 0 3 278.400 1.491 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1cnc(Cl)s1 ZINC000079422131 356996683 /nfs/dbraw/zinc/99/66/83/356996683.db2.gz UBJVIPNIWAUXSA-QMMMGPOBSA-N 0 3 261.778 1.738 40 0 CDABHN COc1cccc(OC)c1C(=O)NC1CCN(C)CC1 ZINC000074861051 357928875 /nfs/dbraw/zinc/92/88/75/357928875.db2.gz YBZWBVWKQSZGHK-UHFFFAOYSA-N 0 3 278.352 1.528 40 0 CDABHN Cc1noc(C)c1CN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1 ZINC000096182362 358713189 /nfs/dbraw/zinc/71/31/89/358713189.db2.gz OUFDFPOJUQXTPH-OKILXGFUSA-N 0 3 299.378 1.650 40 0 CDABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000096251882 358727482 /nfs/dbraw/zinc/72/74/82/358727482.db2.gz XMCNVKJEWLXUPV-IAGOWNOFSA-N 0 3 288.391 1.243 40 0 CDABHN CCN1CCN(c2ccc(-n3cnnc3)cc2)CC1 ZINC000057332399 360142820 /nfs/dbraw/zinc/14/28/20/360142820.db2.gz OQSSKTRNHPWDMS-UHFFFAOYSA-N 0 3 257.341 1.409 40 0 CDABHN CCN1CCN(c2ccc(NC(N)=S)cc2)CC1 ZINC000057332256 360143309 /nfs/dbraw/zinc/14/33/09/360143309.db2.gz VDKPFKBDZGJYTL-UHFFFAOYSA-N 0 3 264.398 1.484 40 0 CDABHN COCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000064492512 360179857 /nfs/dbraw/zinc/17/98/57/360179857.db2.gz KAHZARLIQXHTCK-UHFFFAOYSA-N 0 3 268.401 1.794 40 0 CDABHN CSCC[C@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000042273470 364550910 /nfs/dbraw/zinc/55/09/10/364550910.db2.gz BVNZFBNYQUCYCO-LBPRGKRZSA-N 0 3 270.373 1.865 40 0 CDABHN COc1c(CNCCc2ccccn2)c(C)nn1C ZINC000134087378 369516539 /nfs/dbraw/zinc/51/65/39/369516539.db2.gz TYIZXHLZRMEJHN-UHFFFAOYSA-N 0 3 260.341 1.464 40 0 CDABHN CC(=O)N1CCC(N2CC[C@H](c3nnc(C)o3)C2)CC1 ZINC000049169271 373982114 /nfs/dbraw/zinc/98/21/14/373982114.db2.gz IEWOUWUMKMQQRV-LBPRGKRZSA-N 0 3 278.356 1.178 40 0 biogenic,in-vitro CDABHN CNCC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000225474973 374482070 /nfs/dbraw/zinc/48/20/70/374482070.db2.gz DAYRIRXHSGGMRA-JTQLQIEISA-N 0 3 283.322 1.127 40 0 CDABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C(C)C)C2 ZINC000225494914 374549531 /nfs/dbraw/zinc/54/95/31/374549531.db2.gz CFCVXLIHNHSCMH-AWEZNQCLSA-N 0 3 263.385 1.801 40 0 biogenic,in-vitro CDABHN CN1CCC(n2ncc3cnc(Cl)nc32)CC1 ZINC000095097374 374870223 /nfs/dbraw/zinc/87/02/23/374870223.db2.gz WYZUECQWDYKSEB-UHFFFAOYSA-N 0 3 251.721 1.746 40 0 CDABHN COC[C@H]1CCN(C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141768 374971540 /nfs/dbraw/zinc/97/15/40/374971540.db2.gz WFZJCHNYGFRGJE-HNNXBMFYSA-N 0 3 289.423 1.933 40 0 CDABHN OC[C@@H](NCCO[C@H]1CCCCO1)c1ccsc1 ZINC000225532260 375161313 /nfs/dbraw/zinc/16/13/13/375161313.db2.gz PMJUCVRJFXGTKZ-OLZOCXBDSA-N 0 3 271.382 1.914 40 0 CDABHN CN(C)CCNC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749304 375394161 /nfs/dbraw/zinc/39/41/61/375394161.db2.gz UGIDEIYLDPVASO-OAHLLOKOSA-N 0 3 293.342 1.387 40 0 CDABHN OCCN1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000257255707 190020679 /nfs/dbraw/zinc/02/06/79/190020679.db2.gz KINPVBSSKVTGSG-UHFFFAOYSA-N 0 3 287.367 1.114 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2cccs2)C1 ZINC000257240479 190018791 /nfs/dbraw/zinc/01/87/91/190018791.db2.gz HTRKNVNTDLUFKI-CQSZACIVSA-N 0 3 282.409 1.206 40 0 CDABHN CC(C)N1C[C@@H]2OCC(=O)N(Cc3ccccc3)[C@H]2C1 ZINC000257279629 190025716 /nfs/dbraw/zinc/02/57/16/190025716.db2.gz OHMCFNISVKVTDR-GJZGRUSLSA-N 0 3 274.364 1.507 40 0 CDABHN Cn1cc(C(=O)N2CCC[C@@]3(C)[C@H]2CCCN3C)cn1 ZINC000257311515 190031869 /nfs/dbraw/zinc/03/18/69/190031869.db2.gz UJWILLYVHJRPLJ-HIFRSBDPSA-N 0 3 276.384 1.509 40 0 CDABHN COc1ccc(CNCC2(OC)CCOCC2)cn1 ZINC000331188487 376701516 /nfs/dbraw/zinc/70/15/16/376701516.db2.gz OJCGXEVZGQKMAX-UHFFFAOYSA-N 0 3 266.341 1.375 40 0 CDABHN CCC(=O)N1CCC[C@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019498764 390228275 /nfs/dbraw/zinc/22/82/75/390228275.db2.gz RRSLORZVGJFWST-LBPRGKRZSA-N 0 3 288.395 1.581 40 0 CDABHN CN1C(=O)C(c2cccc(F)c2)=N[C@@]12CCCNC2 ZINC000096516444 390534004 /nfs/dbraw/zinc/53/40/04/390534004.db2.gz HFMOAEQSGKXZRV-AWEZNQCLSA-N 0 3 261.300 1.167 40 0 CDABHN COc1cc(OC)c([C@@H](CN)N2CCCC2)c(OC)c1 ZINC000037376716 173165643 /nfs/dbraw/zinc/16/56/43/173165643.db2.gz MWUHPMBXIDAIDT-GFCCVEGCSA-N 0 3 280.368 1.808 40 0 CDABHN COC[C@@H]1CNCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072343683 176371903 /nfs/dbraw/zinc/37/19/03/176371903.db2.gz ACBMVNXTIKNHCQ-LLVKDONJSA-N 0 3 282.771 1.648 40 0 CDABHN COCCN1CCC(c2cncc(-n3ccnc3)n2)CC1 ZINC000072355540 176375326 /nfs/dbraw/zinc/37/53/26/176375326.db2.gz AZWBGTGEDLTWAS-UHFFFAOYSA-N 0 3 287.367 1.488 40 0 CDABHN Cn1cc(CN2CCC[C@@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364266 176378840 /nfs/dbraw/zinc/37/88/40/176378840.db2.gz DWXYLJNPBQLQRD-GFCCVEGCSA-N 0 3 275.356 1.015 40 0 CDABHN CC(=O)N(C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079418040 276951229 /nfs/dbraw/zinc/95/12/29/276951229.db2.gz UYCNEIOMSGPLBO-CABCVRRESA-N 0 3 297.443 1.608 40 0 CDABHN Cc1c[nH]c([C@H]2CCCN2C(=O)C2(N)CCCC2)n1 ZINC000257301043 301024482 /nfs/dbraw/zinc/02/44/82/301024482.db2.gz RWSWJBJWSVIDKK-LLVKDONJSA-N 0 3 262.357 1.653 40 0 CDABHN Cc1nc(C(=O)N2CCCSC[C@H]2CN(C)C)cs1 ZINC000090699671 302550807 /nfs/dbraw/zinc/55/08/07/302550807.db2.gz CKXSERDVLJGHQM-LLVKDONJSA-N 0 3 299.465 1.961 40 0 CDABHN CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCC1 ZINC000096065773 185084297 /nfs/dbraw/zinc/08/42/97/185084297.db2.gz GZELJUBROIOZJS-SQWLQELKSA-N 0 3 296.411 1.123 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC ZINC000096108538 185100269 /nfs/dbraw/zinc/10/02/69/185100269.db2.gz FLVLWTGXBFKMMN-RRFJBIMHSA-N 0 3 292.379 1.390 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccccc1F)C2 ZINC000096108638 185100403 /nfs/dbraw/zinc/10/04/03/185100403.db2.gz NUQPISWYLSFZRV-UKRRQHHQSA-N 0 3 265.328 1.921 40 0 CDABHN Cn1cc2c(n1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059689 282699176 /nfs/dbraw/zinc/69/91/76/282699176.db2.gz AKUSKNPARPRJOD-CYBMUJFWSA-N 0 3 258.325 1.219 40 0 CDABHN CC(C)NC(=O)C[C@H]1[C@H]2CN(Cc3ccco3)C[C@@H]12 ZINC000107745844 186189444 /nfs/dbraw/zinc/18/94/44/186189444.db2.gz RZKASGRFIZPQBV-BTTYYORXSA-N 0 3 262.353 1.872 40 0 CDABHN CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108534656 186222550 /nfs/dbraw/zinc/22/25/50/186222550.db2.gz CYBPQFWXZUCNMS-GDBMZVCRSA-N 0 3 290.411 1.501 40 0 CDABHN CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@H]12)C(C)C ZINC000014417680 356388038 /nfs/dbraw/zinc/38/80/38/356388038.db2.gz AORFDVNAPHMKAU-BJJXKVORSA-N 0 3 297.395 1.356 40 0 CDABHN CN(C[C@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407913 356991136 /nfs/dbraw/zinc/99/11/36/356991136.db2.gz FJCKMBBHVDETNU-GFCCVEGCSA-N 0 3 272.389 1.558 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nn1 ZINC000079435879 356996254 /nfs/dbraw/zinc/99/62/54/356996254.db2.gz RVDJFDWZNIVELV-JTQLQIEISA-N 0 3 256.737 1.072 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1cccc2c1OCCO2 ZINC000079421479 356996543 /nfs/dbraw/zinc/99/65/43/356996543.db2.gz XZZPDTIFKKULCC-ZDUSSCGKSA-N 0 3 278.352 1.400 40 0 CDABHN CS(=O)(=O)N1CCCC12CCN(CC1CC1)CC2 ZINC000096049358 358707169 /nfs/dbraw/zinc/70/71/69/358707169.db2.gz DAURAVXEVLINLS-UHFFFAOYSA-N 0 3 272.414 1.286 40 0 CDABHN CN(C)[C@@H]1CCN(C(=O)CC2CC2)[C@H]1Cc1ccncc1 ZINC000096201009 358718134 /nfs/dbraw/zinc/71/81/34/358718134.db2.gz PNDZGXPVHPJULJ-CVEARBPZSA-N 0 3 287.407 1.955 40 0 CDABHN CN(C)[C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1Cc1ccncc1 ZINC000096200998 358718358 /nfs/dbraw/zinc/71/83/58/358718358.db2.gz KWWGGMPCCCCJDQ-CVEARBPZSA-N 0 3 298.390 1.797 40 0 CDABHN O=C(c1ccco1)N1CC[C@H]2CN(C[C@H]3CCOC3)C[C@H]21 ZINC000096246059 358725851 /nfs/dbraw/zinc/72/58/51/358725851.db2.gz YDUSOOHFWLWEON-HZSPNIEDSA-N 0 3 290.363 1.462 40 0 CDABHN CC(=O)N1CCO[C@@H]2CCN(Cc3ccc[nH]3)CC[C@H]21 ZINC000096249493 358726531 /nfs/dbraw/zinc/72/65/31/358726531.db2.gz JEBNGVPJHDYRET-HUUCEWRRSA-N 0 3 277.368 1.226 40 0 CDABHN CCOc1ncnc2c1CCN(C[C@H]1CCOC1)CC2 ZINC000096255623 358728886 /nfs/dbraw/zinc/72/88/86/358728886.db2.gz SGRRXIQNHOUGRS-GFCCVEGCSA-N 0 3 277.368 1.312 40 0 CDABHN Clc1ncc2cnn(CCN3CCCCC3)c2n1 ZINC000095097380 366507672 /nfs/dbraw/zinc/50/76/72/366507672.db2.gz LVMVHGKNCFDFGZ-UHFFFAOYSA-N 0 3 265.748 1.966 40 0 CDABHN CCOC(=O)c1ccccc1NC(=O)CNC(C)C ZINC000001671767 364404549 /nfs/dbraw/zinc/40/45/49/364404549.db2.gz LLIIAEFTTFXNLA-UHFFFAOYSA-N 0 3 264.325 1.800 40 0 CDABHN C[C@@H](c1cccc(O)c1)N(C)C[C@H](O)CN1CCOCC1 ZINC000305212682 364891165 /nfs/dbraw/zinc/89/11/65/364891165.db2.gz HMOSRHFGTRUENM-BBRMVZONSA-N 0 3 294.395 1.078 40 0 CDABHN COCCNCCNC(=O)[C@H]1CSc2ccccc21 ZINC000212764960 189689104 /nfs/dbraw/zinc/68/91/04/189689104.db2.gz HHSLAKYCUPRXOE-LBPRGKRZSA-N 0 3 280.393 1.228 40 0 CDABHN Cc1cc(CN(C)C[C@H](C)O)ccc1-n1cncn1 ZINC000130685562 369605489 /nfs/dbraw/zinc/60/54/89/369605489.db2.gz ZZQTYDFDSXFAJE-LBPRGKRZSA-N 0 3 260.341 1.388 40 0 CDABHN CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257222315 190014793 /nfs/dbraw/zinc/01/47/93/190014793.db2.gz DSVCLWFJZZECCD-AWEZNQCLSA-N 0 3 286.383 1.598 40 0 CDABHN CN1CCCCC[C@@H]2N(S(C)(=O)=O)CC[C@@]21C ZINC000257270279 190023706 /nfs/dbraw/zinc/02/37/06/190023706.db2.gz MTMZIIOJKSDOQL-RYUDHWBXSA-N 0 3 260.403 1.285 40 0 CDABHN COCCNC(=O)[C@]1(Cc2ccccc2)CCCN1C ZINC000257289561 285073077 /nfs/dbraw/zinc/07/30/77/285073077.db2.gz PZFCOCGVNSKOEI-MRXNPFEDSA-N 0 3 276.380 1.456 40 0 CDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(CN)CO)cc1 ZINC000252515948 256690205 /nfs/dbraw/zinc/69/02/05/256690205.db2.gz OWGHEIDQVFILHI-RBSFLKMASA-N 0 3 297.420 1.087 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@]1(CN)COC ZINC000242543371 390275859 /nfs/dbraw/zinc/27/58/59/390275859.db2.gz JYQUWIOREHRYDE-ZNMIVQPWSA-N 0 3 297.420 1.487 40 0 CDABHN NC[C@H](c1cncc(Br)c1)N1CCCC1 ZINC000096511144 390531101 /nfs/dbraw/zinc/53/11/01/390531101.db2.gz JLZZPQIWBPOIKR-LLVKDONJSA-N 0 3 270.174 1.940 40 0 CDABHN Cc1ccc(C(=O)N2Cc3cncn3[C@H](CN(C)C)C2)cn1 ZINC000248146947 292070716 /nfs/dbraw/zinc/07/07/16/292070716.db2.gz WBPZJJZHZQDRAK-OAHLLOKOSA-N 0 3 299.378 1.345 40 0 CDABHN CN1CCN(C2CCN(Cc3ccncc3)CC2)CC1 ZINC000020220137 171082152 /nfs/dbraw/zinc/08/21/52/171082152.db2.gz RFKSKRJHUPOZDD-UHFFFAOYSA-N 0 3 274.412 1.293 40 0 CDABHN NCCS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000044248619 175156569 /nfs/dbraw/zinc/15/65/69/175156569.db2.gz GHIWGWIJRLICHA-UHFFFAOYSA-N 0 3 254.138 1.726 40 0 CDABHN c1cn(-c2cncc([C@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000072355619 176374774 /nfs/dbraw/zinc/37/47/74/176374774.db2.gz NSEAICKWZIWNCP-OAHLLOKOSA-N 0 3 299.378 1.978 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccsc1 ZINC000072397589 176394834 /nfs/dbraw/zinc/39/48/34/176394834.db2.gz IWGCWUJJYLIYCP-WCFLWFBJSA-N 0 3 252.383 1.387 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397665 176395239 /nfs/dbraw/zinc/39/52/39/176395239.db2.gz VJVHQBVGMRIQIJ-DDTOSNHZSA-N 0 3 282.334 1.604 40 0 CDABHN CCn1nccc1-c1cnc(C[C@@H]2CCN(C)C2)cn1 ZINC000257322742 262746034 /nfs/dbraw/zinc/74/60/34/262746034.db2.gz WHEUYIYEKZHEQK-LBPRGKRZSA-N 0 3 271.368 1.854 40 0 CDABHN CN1CCC(C(=O)N2CCNC[C@H]2c2ccccc2)CC1 ZINC000257318082 277024303 /nfs/dbraw/zinc/02/43/03/277024303.db2.gz VMLFTHBYLOWNTJ-INIZCTEOSA-N 0 3 287.407 1.501 40 0 CDABHN NC(=O)C[C@@H]1COCCN1CC1CCC2(CC2)CC1 ZINC000930674325 777008904 /nfs/dbraw/zinc/00/89/04/777008904.db2.gz DTDJFSDKSBZOIK-CYBMUJFWSA-N 0 3 266.385 1.533 40 0 CDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(CC1CC1)C2 ZINC000096038841 185069183 /nfs/dbraw/zinc/06/91/83/185069183.db2.gz IJNMUULMZWWNTE-UKRRQHHQSA-N 0 3 280.368 1.041 40 0 CDABHN c1cncc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055047 185076818 /nfs/dbraw/zinc/07/68/18/185076818.db2.gz YRLXUVSHVKUPFH-IAGOWNOFSA-N 0 3 287.407 1.767 40 0 CDABHN CN1C[C@H]2C[C@@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000247961358 362140478 /nfs/dbraw/zinc/14/04/78/362140478.db2.gz FGAASFNDKBLSEO-MGPQQGTHSA-N 0 3 260.337 1.022 40 0 CDABHN COc1ccc(-c2nsc(N3CCNCC3)n2)cc1 ZINC000143537974 362213845 /nfs/dbraw/zinc/21/38/45/362213845.db2.gz JBAGMHVVXBWMCS-UHFFFAOYSA-N 0 3 276.365 1.623 40 0 CDABHN Cc1nc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)c[nH]1 ZINC000108527710 186220683 /nfs/dbraw/zinc/22/06/83/186220683.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 0 3 290.411 1.403 40 0 CDABHN Cc1ncc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)[nH]1 ZINC000108527710 186220684 /nfs/dbraw/zinc/22/06/84/186220684.db2.gz KMCMRYHXOACQNJ-HOTGVXAUSA-N 0 3 290.411 1.403 40 0 CDABHN Cc1nc([C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc(=O)[n-]1 ZINC000019240938 356477525 /nfs/dbraw/zinc/47/75/25/356477525.db2.gz NVSYSZWRZLIDEA-LBPRGKRZSA-N 0 3 268.320 1.802 40 0 CDABHN CCN(C(=O)c1cnn2cccnc12)C1CCN(C)CC1 ZINC000019657735 356494083 /nfs/dbraw/zinc/49/40/83/356494083.db2.gz LUSJDKVGESPRKH-UHFFFAOYSA-N 0 3 287.367 1.286 40 0 CDABHN Cc1nn(C)cc1CN1CC[C@@H](C(=O)NC2CCCC2)C1 ZINC000019747828 356499151 /nfs/dbraw/zinc/49/91/51/356499151.db2.gz XDBBLMJVEAPQEX-CYBMUJFWSA-N 0 3 290.411 1.609 40 0 CDABHN CN(C[C@@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079407903 356990839 /nfs/dbraw/zinc/99/08/39/356990839.db2.gz HIYGROAJCLIOHS-LBPRGKRZSA-N 0 3 272.389 1.700 40 0 CDABHN CN(C[C@@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407877 356991018 /nfs/dbraw/zinc/99/10/18/356991018.db2.gz IJSLDRLGZISIDT-NSHDSACASA-N 0 3 258.362 1.168 40 0 CDABHN NCC(=O)N(C1CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404289 356991293 /nfs/dbraw/zinc/99/12/93/356991293.db2.gz DTSKFXCOMNUXNM-OAHLLOKOSA-N 0 3 273.380 1.211 40 0 CDABHN C[C@H](N)C(=O)N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000079409616 356992753 /nfs/dbraw/zinc/99/27/53/356992753.db2.gz STPVIPMYTRSJPX-NSHDSACASA-N 0 3 299.415 1.439 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1nccs1)C1CC1 ZINC000079436371 356996595 /nfs/dbraw/zinc/99/65/95/356996595.db2.gz HQFDMTCECBURPW-NSHDSACASA-N 0 3 281.381 1.300 40 0 CDABHN CC(C)N(CC(=O)N1C[C@@H](C)O[C@H](C)C1)C1CCOCC1 ZINC000072685601 358564168 /nfs/dbraw/zinc/56/41/68/358564168.db2.gz QMOAVJOSEMEHCD-ZIAGYGMSSA-N 0 3 298.427 1.512 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096229353 358723581 /nfs/dbraw/zinc/72/35/81/358723581.db2.gz MFGDVESIWVXWKU-INIZCTEOSA-N 0 3 292.427 1.354 40 0 CDABHN CCN1C(=O)CCC12CCN([C@@H]1CCOC1)CC2 ZINC000096228020 358724035 /nfs/dbraw/zinc/72/40/35/358724035.db2.gz WWFSFZOFKHRMGT-GFCCVEGCSA-N 0 3 252.358 1.252 40 0 CDABHN O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239197 358724575 /nfs/dbraw/zinc/72/45/75/358724575.db2.gz KMCQCUIYLRBJCF-INIZCTEOSA-N 0 3 298.346 1.699 40 0 CDABHN COCCN1CCC(c2nc3ccc(C)cn3n2)CC1 ZINC000096260701 358729482 /nfs/dbraw/zinc/72/94/82/358729482.db2.gz RFPFIYHWWFVRKC-UHFFFAOYSA-N 0 3 274.368 1.864 40 0 CDABHN O=C(Nc1cccc(F)c1)C1=NO[C@@]2(C1)CCCNC2 ZINC000096268883 358730466 /nfs/dbraw/zinc/73/04/66/358730466.db2.gz YOQACHAWBQDFJV-CQSZACIVSA-N 0 3 277.299 1.663 40 0 CDABHN COc1cc(OC)cc([C@@H](CN)N2CCOCC2)c1 ZINC000019840861 358999760 /nfs/dbraw/zinc/99/97/60/358999760.db2.gz ILVIJSKSXJSYMY-CQSZACIVSA-N 0 3 266.341 1.036 40 0 CDABHN CCN(CC(N)=O)CC1CCN(c2ccccn2)CC1 ZINC000076108874 366983474 /nfs/dbraw/zinc/98/34/74/366983474.db2.gz RISXJRIMRWXIGS-UHFFFAOYSA-N 0 3 276.384 1.105 40 0 CDABHN COCCn1ccnc1[C@@H]1CNCc2ccccc21 ZINC000306143000 374972598 /nfs/dbraw/zinc/97/25/98/374972598.db2.gz XQFLTAWPDZVZMP-CQSZACIVSA-N 0 3 257.337 1.765 40 0 CDABHN Cc1n[nH]cc1-c1cnc([C@H]2CCCN(C)C2)cn1 ZINC000257214574 190013258 /nfs/dbraw/zinc/01/32/58/190013258.db2.gz CMMVWTXJJMXRQO-NSHDSACASA-N 0 3 257.341 1.984 40 0 CDABHN CN(C)Cc1c[nH]c([C@H]2CCN(Cc3cncn3C)C2)n1 ZINC000257252054 190020185 /nfs/dbraw/zinc/02/01/85/190020185.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 0 3 288.399 1.194 40 0 CDABHN CN(C)Cc1cnc([C@H]2CCN(Cc3cncn3C)C2)[nH]1 ZINC000257252054 190020186 /nfs/dbraw/zinc/02/01/86/190020186.db2.gz JTJKABXJHCMDOX-LBPRGKRZSA-N 0 3 288.399 1.194 40 0 CDABHN CC(C)OC(=O)[C@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000096510352 390530499 /nfs/dbraw/zinc/53/04/99/390530499.db2.gz OYZYEXJAVIGOIB-MNOVXSKESA-N 0 3 286.372 1.441 40 0 CDABHN N[C@@H](c1ccccc1)c1ccc(N2CCN(C=O)CC2)nc1 ZINC000072225598 390625931 /nfs/dbraw/zinc/62/59/31/390625931.db2.gz VDGRHSHRYBZJCC-KRWDZBQOSA-N 0 3 296.374 1.408 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1c(F)cccc1F ZINC000072397606 390628075 /nfs/dbraw/zinc/62/80/75/390628075.db2.gz YBWGFWOFSBBTQN-QJPTWQEYSA-N 0 3 282.334 1.604 40 0 CDABHN CCCc1c(O)nc(N)n1C(=O)OCc1ccccc1 ZINC000005785436 170140474 /nfs/dbraw/zinc/14/04/74/170140474.db2.gz SGDLNVXRMQKCGB-LLVKDONJSA-N 0 3 275.308 1.649 40 0 CDABHN CCCC1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000005785436 170140475 /nfs/dbraw/zinc/14/04/75/170140475.db2.gz SGDLNVXRMQKCGB-LLVKDONJSA-N 0 3 275.308 1.649 40 0 CDABHN CCN(CC(=O)NC(C)C)S(=O)(=O)c1ccccc1 ZINC000006416011 170199552 /nfs/dbraw/zinc/19/95/52/170199552.db2.gz PMFKTSOGEVZBQY-UHFFFAOYSA-N 0 3 284.381 1.222 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165636 171365773 /nfs/dbraw/zinc/36/57/73/171365773.db2.gz HUYPIKDZTWEIMM-HUBLWGQQSA-N 0 3 294.395 1.813 40 0 CDABHN CCc1nccn1-c1cccc([C@H]2CCCN2CCO)n1 ZINC000072355673 176374851 /nfs/dbraw/zinc/37/48/51/176374851.db2.gz JZGYFRDFGQTCKH-CQSZACIVSA-N 0 3 286.379 1.959 40 0 CDABHN CNC(=O)c1cccc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072355749 176375062 /nfs/dbraw/zinc/37/50/62/176375062.db2.gz NEENHGMLKXTOCK-OAHLLOKOSA-N 0 3 289.379 1.757 40 0 CDABHN Cc1nc(CCC(=O)N(C)C)cc([C@@H]2CCCCN2)n1 ZINC000072363384 176377672 /nfs/dbraw/zinc/37/76/72/176377672.db2.gz XFTSWFSLTUUPIN-ZDUSSCGKSA-N 0 3 276.384 1.620 40 0 CDABHN C[NH+]1CCC(Cc2cnc([N-]c3ncccn3)cn2)CC1 ZINC000072363440 176378121 /nfs/dbraw/zinc/37/81/21/176378121.db2.gz TZPFNNKZYHKXBG-UHFFFAOYSA-N 0 3 284.367 1.895 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397633 176394876 /nfs/dbraw/zinc/39/48/76/176394876.db2.gz JGYRAOGEWYUKGQ-BYCMXARLSA-N 0 3 264.344 1.465 40 0 CDABHN CO[C@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000247819568 277354011 /nfs/dbraw/zinc/35/40/11/277354011.db2.gz COVFQHDZPJTKEP-CQSZACIVSA-N 0 3 265.357 1.140 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCCN(C)C1 ZINC000079426690 280271162 /nfs/dbraw/zinc/27/11/62/280271162.db2.gz YAMGVSKORIPUEJ-STQMWFEESA-N 0 3 255.406 1.301 40 0 CDABHN CN(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390844 288801170 /nfs/dbraw/zinc/80/11/70/288801170.db2.gz LADUAHKPGKUSMG-GHMZBOCLSA-N 0 3 285.388 1.239 40 0 CDABHN NCC(=O)N1CCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079391038 303365946 /nfs/dbraw/zinc/36/59/46/303365946.db2.gz SZWLTWOMXXCKQS-MRXNPFEDSA-N 0 3 287.407 1.601 40 0 CDABHN C[C@@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)C1CC1 ZINC000069701838 342008403 /nfs/dbraw/zinc/00/84/03/342008403.db2.gz JJGRTHAJTSSIIL-JTQLQIEISA-N 0 3 274.368 1.567 40 0 CDABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccoc3)CC2)O1 ZINC000096061122 185082212 /nfs/dbraw/zinc/08/22/12/185082212.db2.gz XVZXIRLYPBDFOQ-AWEZNQCLSA-N 0 3 292.379 1.881 40 0 CDABHN COCCN1CC[C@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076024 185089080 /nfs/dbraw/zinc/08/90/80/185089080.db2.gz CAFIRKANMXYOFA-AWEZNQCLSA-N 0 3 281.425 1.748 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(CN)nn1 ZINC000080848892 342101921 /nfs/dbraw/zinc/10/19/21/342101921.db2.gz HSXLKFUMMLKRPP-NSHDSACASA-N 0 3 281.360 1.136 40 0 CDABHN COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(C)CC2 ZINC000585102703 342212665 /nfs/dbraw/zinc/21/26/65/342212665.db2.gz BDAJFKZDNJVNNA-CYBMUJFWSA-N 0 3 292.379 1.710 40 0 CDABHN C[C@H](C(=O)NCc1ncc[nH]1)N1CCCCCC1 ZINC000081385798 362211203 /nfs/dbraw/zinc/21/12/03/362211203.db2.gz CBCBLJNQLGJSTP-LLVKDONJSA-N 0 3 250.346 1.290 40 0 CDABHN O=C1NCC[C@@]12CCCN(Cc1ccncc1)CC2 ZINC000108526768 186221264 /nfs/dbraw/zinc/22/12/64/186221264.db2.gz HBLSKPPHUIOCIS-OAHLLOKOSA-N 0 3 259.353 1.574 40 0 CDABHN S=C([N-][NH+]=C1NCCCCN1)Nc1ccc(Cl)cc1 ZINC000001643178 355944549 /nfs/dbraw/zinc/94/45/49/355944549.db2.gz JSQAEDUGRUZHSL-UHFFFAOYSA-N 0 3 297.815 1.870 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476513 356031340 /nfs/dbraw/zinc/03/13/40/356031340.db2.gz RVGUQPGNMZYGQO-CYBMUJFWSA-N 0 3 275.352 1.226 40 0 CDABHN CCOC(=O)[C@@H]1[C@H](C(=O)OCC)[C@@H](N(C)C)C1(C)C ZINC000005340736 356052202 /nfs/dbraw/zinc/05/22/02/356052202.db2.gz WZCOQWVIQBLQKQ-GARJFASQSA-N 0 3 271.357 1.315 40 0 CDABHN COc1ccc(CN(C)C(=O)[C@@H](N)C(C)C)cc1 ZINC000037797821 356932588 /nfs/dbraw/zinc/93/25/88/356932588.db2.gz IIVWSYILHPZTKO-ZDUSSCGKSA-N 0 3 250.342 1.637 40 0 CDABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391278 356988385 /nfs/dbraw/zinc/98/83/85/356988385.db2.gz DNZUMHRVRWWGMX-NWDGAFQWSA-N 0 3 299.415 1.580 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079409977 356992285 /nfs/dbraw/zinc/99/22/85/356992285.db2.gz OAFVRMHLHJWKMK-RYUDHWBXSA-N 0 3 299.415 1.485 40 0 CDABHN C[C@H](N)C(=O)NC1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000079409621 356992763 /nfs/dbraw/zinc/99/27/63/356992763.db2.gz HSYISULWWCUMBI-UNXYVOJBSA-N 0 3 299.415 1.628 40 0 CDABHN COCCn1nc(C)c(CNC[C@H]2CCC=CO2)c1C ZINC000225582819 357240912 /nfs/dbraw/zinc/24/09/12/357240912.db2.gz PUBWRSUWLWYIQC-CQSZACIVSA-N 0 3 279.384 1.929 40 0 CDABHN CCN1c2ccc(F)cc2C(=O)N[C@@]12CCCNC2 ZINC000096516605 357522239 /nfs/dbraw/zinc/52/22/39/357522239.db2.gz VWOMRGYRLLQQER-AWEZNQCLSA-N 0 3 263.316 1.475 40 0 CDABHN CCOC[C@H]1CN(C)C2(CN(c3ncccn3)C2)C1 ZINC000585093868 358098559 /nfs/dbraw/zinc/09/85/59/358098559.db2.gz LRKUUONCUUWRLR-GFCCVEGCSA-N 0 3 262.357 1.024 40 0 CDABHN CCCN1C[C@H](OCc2cccnc2)[C@H]2COC[C@H]21 ZINC000096185071 358714272 /nfs/dbraw/zinc/71/42/72/358714272.db2.gz SUZHOIIAKYAFGJ-ZNMIVQPWSA-N 0 3 262.353 1.707 40 0 CDABHN CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(C)CC2 ZINC000096187430 358715460 /nfs/dbraw/zinc/71/54/60/358715460.db2.gz ASXZUYMOWHDKQD-UHFFFAOYSA-N 0 3 285.351 1.065 40 0 CDABHN CS(=O)(=O)N1CCC[C@@]12CCCN(CC1CC1)C2 ZINC000096214932 358721543 /nfs/dbraw/zinc/72/15/43/358721543.db2.gz DTRJMHNIZBJPEW-CYBMUJFWSA-N 0 3 272.414 1.286 40 0 CDABHN CCN1C(=O)CCC12CCN([C@H]1CCOC1)CC2 ZINC000096228021 358724042 /nfs/dbraw/zinc/72/40/42/358724042.db2.gz WWFSFZOFKHRMGT-LBPRGKRZSA-N 0 3 252.358 1.252 40 0 CDABHN CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000096245392 358725730 /nfs/dbraw/zinc/72/57/30/358725730.db2.gz DYIFVZMJMVTUJL-GJZGRUSLSA-N 0 3 294.420 1.400 40 0 CDABHN CC(C)CN1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253052 358727337 /nfs/dbraw/zinc/72/73/37/358727337.db2.gz CQTNEZZWMZWGRU-HZSPNIEDSA-N 0 3 266.385 1.258 40 0 CDABHN C(c1nnn2c1CN(CC1CC1)CCC2)N1CCCC1 ZINC000096259482 358729051 /nfs/dbraw/zinc/72/90/51/358729051.db2.gz VVRPHLKUVJLOIQ-UHFFFAOYSA-N 0 3 275.400 1.490 40 0 CDABHN O=C1C[C@H]2[C@@H](CCN2[C@@H]2CCOC2)N1c1ccsc1 ZINC000107198678 359016923 /nfs/dbraw/zinc/01/69/23/359016923.db2.gz GAKZXYNNJCUPDS-RTXFEEFZSA-N 0 3 278.377 1.717 40 0 CDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289241 360125450 /nfs/dbraw/zinc/12/54/50/360125450.db2.gz KCHOENFMINYOEQ-HZPDHXFCSA-N 0 3 293.455 1.000 40 0 biogenic,in-vitro CDABHN CC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242495958 364519671 /nfs/dbraw/zinc/51/96/71/364519671.db2.gz GUXKDOBCLBMDOV-YDHLFZDLSA-N 0 3 295.427 1.408 40 0 CDABHN CCCN1CCCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000079351810 374795223 /nfs/dbraw/zinc/79/52/23/374795223.db2.gz CATMOQWUUWEMTL-AWEZNQCLSA-N 0 3 278.400 1.654 40 0 CDABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)C(C)C)C2)c1 ZINC000257204620 190011522 /nfs/dbraw/zinc/01/15/22/190011522.db2.gz AVOGDBKFWIQGMI-LBPRGKRZSA-N 0 3 297.424 1.959 40 0 CDABHN CNC(=O)CCc1cc(C2CCN(C)CC2)nc(C)n1 ZINC000257229488 190016357 /nfs/dbraw/zinc/01/63/57/190016357.db2.gz FYHPXADKFRUAQY-UHFFFAOYSA-N 0 3 276.384 1.273 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670739 375701051 /nfs/dbraw/zinc/70/10/51/375701051.db2.gz VLUQFGBQDHELRD-NEPJUHHUSA-N 0 3 279.336 1.522 40 0 CDABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257259020 190021946 /nfs/dbraw/zinc/02/19/46/190021946.db2.gz KWLSLGCOSRXXOX-NSHDSACASA-N 0 3 298.412 1.027 40 0 CDABHN CN(C)c1ncc(CN2CCNC[C@H]2c2ccccc2)cn1 ZINC000257285264 190026961 /nfs/dbraw/zinc/02/69/61/190026961.db2.gz PGINAUOGNGNXHE-INIZCTEOSA-N 0 3 297.406 1.689 40 0 CDABHN Cc1c[nH]c([C@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000257311303 190032221 /nfs/dbraw/zinc/03/22/21/190032221.db2.gz UIVUZHWNGHPJDF-ZDUSSCGKSA-N 0 3 276.384 1.520 40 0 CDABHN CN(C)C(=O)CO[C@@H]1CSC2(CN(C3CCC3)C2)C1 ZINC000247958933 391423784 /nfs/dbraw/zinc/42/37/84/391423784.db2.gz DSKBHIVONLTNGO-LBPRGKRZSA-N 0 3 284.425 1.204 40 0 CDABHN CN(Cc1cnn(C)c1)[C@H]1CCCN(c2ccccn2)C1 ZINC000257246595 397607457 /nfs/dbraw/zinc/60/74/57/397607457.db2.gz IUVGRWAQAXDCHE-HNNXBMFYSA-N 0 3 285.395 1.916 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022173815 171369528 /nfs/dbraw/zinc/36/95/28/171369528.db2.gz SVLWYWYUBOCXDQ-OBJOEFQTSA-N 0 3 294.395 1.813 40 0 CDABHN Brc1cccc(OC[C@@H]2CNCCO2)c1 ZINC000070834078 176008031 /nfs/dbraw/zinc/00/80/31/176008031.db2.gz ZVPPKBXSJDZKGC-NSHDSACASA-N 0 3 272.142 1.816 40 0 CDABHN COCCNC(=O)CCc1cccc([C@H]2CCCN2C)n1 ZINC000072360555 176377019 /nfs/dbraw/zinc/37/70/19/176377019.db2.gz DEWQURJDDMYYPT-OAHLLOKOSA-N 0 3 291.395 1.544 40 0 CDABHN CC(=O)c1nnn(-c2ccc(F)cc2)c1NCCN(C)C ZINC000072397511 176394691 /nfs/dbraw/zinc/39/46/91/176394691.db2.gz VERCYVMQQQUQPS-UHFFFAOYSA-N 0 3 291.330 1.583 40 0 CDABHN O=C(c1cccnc1)N1CCC2(CN(CC3CC3)C2)C1 ZINC000096046472 185071737 /nfs/dbraw/zinc/07/17/37/185071737.db2.gz AWPCYHUDZHIDFV-UHFFFAOYSA-N 0 3 271.364 1.640 40 0 CDABHN CN1CCC[C@]2(C1)CN(Cc1nccs1)CCO2 ZINC000096049064 185072268 /nfs/dbraw/zinc/07/22/68/185072268.db2.gz XLVHOLYAMPSFAF-ZDUSSCGKSA-N 0 3 267.398 1.440 40 0 CDABHN COCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C)C[C@@H]21 ZINC000585109734 342213163 /nfs/dbraw/zinc/21/31/63/342213163.db2.gz MWTYMSSSEBNBLZ-KCQAQPDRSA-N 0 3 260.337 1.149 40 0 CDABHN Cc1cccc(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)c1 ZINC000585282657 342258529 /nfs/dbraw/zinc/25/85/29/342258529.db2.gz MFNWNASBMKUCHU-IRXDYDNUSA-N 0 3 291.391 1.724 40 0 CDABHN CCCn1c2ccccc2[nH]c1=NC(=O)[C@@H]1CCCN1 ZINC000073342143 362039177 /nfs/dbraw/zinc/03/91/77/362039177.db2.gz APIFVYXCUQEGMN-LBPRGKRZSA-N 0 3 272.352 1.559 40 0 CDABHN COC[C@@]1(CNCc2ccc(F)cc2)C[C@@H](O)[C@@H](O)C1 ZINC000107283886 186165426 /nfs/dbraw/zinc/16/54/26/186165426.db2.gz OUYPMJJBXPASOV-FICVDOATSA-N 0 3 283.343 1.064 40 0 biogenic,in-vitro CDABHN Cc1ncc(CN2CCC3(CC(NC(=O)N(C)C)C3)C2)[nH]1 ZINC000108527596 186221187 /nfs/dbraw/zinc/22/11/87/186221187.db2.gz VBLIKNXCEPXZTK-UHFFFAOYSA-N 0 3 291.399 1.344 40 0 CDABHN CCOC(=O)c1[nH]c(CN)c(C(=O)OCC)c1C ZINC000001669574 355945926 /nfs/dbraw/zinc/94/59/26/355945926.db2.gz WAFZFOSMSJTCLC-UHFFFAOYSA-N 0 3 254.286 1.135 40 0 CDABHN COc1ccc(-c2ncc(CN3CC[C@@H](CO)C3)cn2)cc1 ZINC000012183002 356290650 /nfs/dbraw/zinc/29/06/50/356290650.db2.gz NZURPCZCYNWCLF-CYBMUJFWSA-N 0 3 299.374 1.966 40 0 CDABHN c1cncc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019339425 356481295 /nfs/dbraw/zinc/48/12/95/356481295.db2.gz VSDOWXALJROHMY-MRXNPFEDSA-N 0 3 295.390 1.854 40 0 CDABHN COc1ccc(C2=NO[C@@H](CN)C2)c(OC)c1OC ZINC000070434976 356894290 /nfs/dbraw/zinc/89/42/90/356894290.db2.gz VUFAYAWXNAVWQO-MRVPVSSYSA-N 0 3 266.297 1.164 40 0 CDABHN CCN(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390879 356988679 /nfs/dbraw/zinc/98/86/79/356988679.db2.gz FOPFLGRUZVXQIR-RYUDHWBXSA-N 0 3 299.415 1.630 40 0 CDABHN COC[C@H]1CN(CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060042 358707453 /nfs/dbraw/zinc/70/74/53/358707453.db2.gz XXMLPTPFYTWZGF-CQSZACIVSA-N 0 3 279.384 1.392 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1cccn1C)CC2 ZINC000096158624 358710253 /nfs/dbraw/zinc/71/02/53/358710253.db2.gz URIHDYBSTVEQRF-CYBMUJFWSA-N 0 3 291.395 1.350 40 0 CDABHN O=C1COC2(CCN(Cc3ccc(F)cc3)CC2)CN1 ZINC000096201326 358718613 /nfs/dbraw/zinc/71/86/13/358718613.db2.gz CXXLSXSYHOYHAT-UHFFFAOYSA-N 0 3 278.327 1.307 40 0 CDABHN c1cnc(N2CCO[C@H]3CN(CC4CCC4)C[C@H]32)cn1 ZINC000096248899 358726846 /nfs/dbraw/zinc/72/68/46/358726846.db2.gz FPULGJRYIPKISU-KGLIPLIRSA-N 0 3 274.368 1.166 40 0 CDABHN CCc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096255013 358727759 /nfs/dbraw/zinc/72/77/59/358727759.db2.gz CKSIKFRIKKXXMD-UHFFFAOYSA-N 0 3 271.368 1.373 40 0 CDABHN COc1cc(OC)cc([C@H](CN)N2CCCC2)c1 ZINC000019840858 358999890 /nfs/dbraw/zinc/99/98/90/358999890.db2.gz YWYNUVIYQUMADG-AWEZNQCLSA-N 0 3 250.342 1.799 40 0 CDABHN CCN(C(C)=O)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079417995 284263528 /nfs/dbraw/zinc/26/35/28/284263528.db2.gz SYJXTMADJWQXPQ-RDBSUJKOSA-N 0 3 283.416 1.266 40 0 CDABHN CN1CCC[C@H](N2CCN(c3ccc(Cl)cn3)CC2)C1 ZINC000078664088 374710067 /nfs/dbraw/zinc/71/00/67/374710067.db2.gz QGXADEHNRWSRTO-AWEZNQCLSA-N 0 3 294.830 1.951 40 0 CDABHN CCCN1C[C@@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141443 374972028 /nfs/dbraw/zinc/97/20/28/374972028.db2.gz VWKUIKSVVUPRLY-CABCVRRESA-N 0 3 273.380 1.989 40 0 CDABHN C[C@@H]1CCN(CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547792 375162512 /nfs/dbraw/zinc/16/25/12/375162512.db2.gz YKKISIMIPRCSNO-BDAKNGLRSA-N 0 3 273.270 1.606 40 0 CDABHN CCn1cc(CNCCCN2CCOCC2)c(C)n1 ZINC000256054463 190005528 /nfs/dbraw/zinc/00/55/28/190005528.db2.gz WJTPJFXYZWOINB-UHFFFAOYSA-N 0 3 266.389 1.023 40 0 CDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cnco1)C2 ZINC000257206201 190011347 /nfs/dbraw/zinc/01/13/47/190011347.db2.gz BCHRBAQGFYBMFN-DNVSUFBTSA-N 0 3 275.352 1.762 40 0 CDABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257220141 190014643 /nfs/dbraw/zinc/01/46/43/190014643.db2.gz DJSHNKUBDKCDIH-OAHLLOKOSA-N 0 3 298.346 1.581 40 0 CDABHN Cc1nc(C[C@H]2CCCN(C)C2)cc(C(=O)N(C)C)n1 ZINC000257236999 190017441 /nfs/dbraw/zinc/01/74/41/190017441.db2.gz HETYUPFYTAFZKH-GFCCVEGCSA-N 0 3 276.384 1.371 40 0 CDABHN Cc1cccc(CN2CC[C@H](O)[C@@H](n3ccnc3)CC2)n1 ZINC000257246593 190019028 /nfs/dbraw/zinc/01/90/28/190019028.db2.gz IUVBDXHYINYIFV-HOTGVXAUSA-N 0 3 286.379 1.785 40 0 CDABHN Cc1ccc(CC(=O)N2CC[C@](O)(CN(C)C)C2)s1 ZINC000257305974 190031185 /nfs/dbraw/zinc/03/11/85/190031185.db2.gz SSHZYBSGOZJVDF-AWEZNQCLSA-N 0 3 282.409 1.124 40 0 CDABHN CCOc1ncc([C@@H](CN)N2CCCCC2)cn1 ZINC000096511162 390530535 /nfs/dbraw/zinc/53/05/35/390530535.db2.gz ZWVDQHMAORFMRH-GFCCVEGCSA-N 0 3 250.346 1.361 40 0 CDABHN Cc1cc(-c2nccnc2[C@@H]2CCCN(C)C2)n[nH]1 ZINC000257234496 391648435 /nfs/dbraw/zinc/64/84/35/391648435.db2.gz GTUCWYWNYMRJOA-LLVKDONJSA-N 0 3 257.341 1.984 40 0 CDABHN c1cn2c(n1)CO[C@@H](CNCc1ccc3c(c1)OCO3)C2 ZINC000096296259 393174288 /nfs/dbraw/zinc/17/42/88/393174288.db2.gz ZLFDQJJYNQLRCP-LBPRGKRZSA-N 0 3 287.319 1.300 40 0 biogenic,in-vitro CDABHN O=C(CN1CCCCCC1)NCc1ccc2c(c1)OCO2 ZINC000004935980 170042302 /nfs/dbraw/zinc/04/23/02/170042302.db2.gz REHMAKFFQXIUSR-UHFFFAOYSA-N 0 3 290.363 1.908 40 0 CDABHN COc1cc(OC)c([C@@H](CN)N(C)C)c(OC)c1 ZINC000037376741 173165750 /nfs/dbraw/zinc/16/57/50/173165750.db2.gz KJCTXCBDMWSXEB-SNVBAGLBSA-N 0 3 254.330 1.274 40 0 CDABHN CCCCN[C@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1 ZINC000055112101 175571011 /nfs/dbraw/zinc/57/10/11/175571011.db2.gz YTYFYSXDNUDVKJ-UONOGXRCSA-N 0 3 282.409 1.654 40 0 CDABHN Brc1cccc(OC[C@H]2CNCCO2)c1 ZINC000070834080 176007904 /nfs/dbraw/zinc/00/79/04/176007904.db2.gz ZVPPKBXSJDZKGC-LLVKDONJSA-N 0 3 272.142 1.816 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000079409991 275702222 /nfs/dbraw/zinc/70/22/22/275702222.db2.gz IXXNWUBFEFXWLT-RYUDHWBXSA-N 0 3 299.415 1.485 40 0 CDABHN CC(=O)N(C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(C)C ZINC000079418024 276950787 /nfs/dbraw/zinc/95/07/87/276950787.db2.gz OBOZYIVDPUMECZ-KGLIPLIRSA-N 0 3 283.416 1.075 40 0 CDABHN CCN(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(C)=O ZINC000079417969 279230193 /nfs/dbraw/zinc/23/01/93/279230193.db2.gz XPNHQZRZNLMVED-KGLIPLIRSA-N 0 3 283.416 1.077 40 0 CDABHN CC1(C)CC(=O)NCCN1C[C@@H]1CCC2(CCC2)O1 ZINC000931200751 617643291 /nfs/dbraw/zinc/64/32/91/617643291.db2.gz ACEWNUWHAKKHTH-LBPRGKRZSA-N 0 3 266.385 1.689 40 0 CDABHN Cn1ccc(NC(=O)NC[C@H]2CCCCN2C2CC2)n1 ZINC000930079843 787069892 /nfs/dbraw/zinc/06/98/92/787069892.db2.gz XOEZYQHVBBFZMY-GFCCVEGCSA-N 0 3 277.372 1.559 40 0 CDABHN CN(C)CCN(C)Cc1ccnc([C@@H]2CCCO2)n1 ZINC000257258677 282092351 /nfs/dbraw/zinc/09/23/51/282092351.db2.gz KVBOZRUCQAJKDI-ZDUSSCGKSA-N 0 3 264.373 1.322 40 0 CDABHN O=C1NCCC12CCN(Cc1cccs1)CC2 ZINC000096046687 185071627 /nfs/dbraw/zinc/07/16/27/185071627.db2.gz JGIUKSSZJGAPAZ-UHFFFAOYSA-N 0 3 250.367 1.850 40 0 CDABHN Fc1cccnc1OC[C@H]1CCn2nccc2CN1 ZINC000585097201 342211797 /nfs/dbraw/zinc/21/17/97/342211797.db2.gz IRKNKZSAGGAICW-SNVBAGLBSA-N 0 3 262.288 1.358 40 0 CDABHN CNC(=O)C[C@@]1(COC)CCCN1Cc1ccc(C)nc1 ZINC000585276490 342256345 /nfs/dbraw/zinc/25/63/45/342256345.db2.gz PAYALVUKHIRSKH-MRXNPFEDSA-N 0 3 291.395 1.507 40 0 CDABHN Cc1nnn2c1COC[C@@H](CNCc1ccco1)C2 ZINC000096061110 282370038 /nfs/dbraw/zinc/37/00/38/282370038.db2.gz RPSPYSKZTUQFGZ-NSHDSACASA-N 0 3 262.313 1.116 40 0 CDABHN CN1CCC[C@@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257884 362580423 /nfs/dbraw/zinc/58/04/23/362580423.db2.gz KRMBFJPSEJPCMT-OAHLLOKOSA-N 0 3 288.395 1.550 40 0 CDABHN Cc1ccccc1Cc1nsc(N2CCNCC2)n1 ZINC000034839824 348746350 /nfs/dbraw/zinc/74/63/50/348746350.db2.gz RIWPUFMKBFDFJN-UHFFFAOYSA-N 0 3 274.393 1.847 40 0 CDABHN CN(C)[C@@H]1CCCN(C(=O)Nc2nccs2)C1 ZINC000069216441 349094173 /nfs/dbraw/zinc/09/41/73/349094173.db2.gz UPVWCJYFIHOVCS-SECBINFHSA-N 0 3 254.359 1.701 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccnn1C)C2 ZINC000108535062 186222328 /nfs/dbraw/zinc/22/23/28/186222328.db2.gz RLOVRGALTLTDTR-UKRRQHHQSA-N 0 3 276.384 1.158 40 0 CDABHN CO[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000154281477 188133196 /nfs/dbraw/zinc/13/31/96/188133196.db2.gz RUIVMNUILOZVJK-UONOGXRCSA-N 0 3 262.353 1.194 40 0 CDABHN CCCOc1ccc2c(c1)CCN(C(=O)[C@@H](C)N)C2 ZINC000157794230 188339655 /nfs/dbraw/zinc/33/96/55/188339655.db2.gz HOKWCKXFOLNKIM-LLVKDONJSA-N 0 3 262.353 1.707 40 0 CDABHN CN(CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391642 356988453 /nfs/dbraw/zinc/98/84/53/356988453.db2.gz LIJSBXINQWNNDR-OAHLLOKOSA-N 0 3 292.379 1.712 40 0 CDABHN CN(C[C@H]1CCCCN1CCO)C(=O)OC(C)(C)C ZINC000079407909 356991449 /nfs/dbraw/zinc/99/14/49/356991449.db2.gz HIYGROAJCLIOHS-GFCCVEGCSA-N 0 3 272.389 1.700 40 0 CDABHN CC(=O)N(C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1)C(C)C ZINC000079418020 356994963 /nfs/dbraw/zinc/99/49/63/356994963.db2.gz OBOZYIVDPUMECZ-KBPBESRZSA-N 0 3 283.416 1.075 40 0 CDABHN C[C@H](N)C(=O)N(Cc1cccc2c1OCCO2)C1CC1 ZINC000079421478 356996737 /nfs/dbraw/zinc/99/67/37/356996737.db2.gz IRBUGBGBNUHXGN-JTQLQIEISA-N 0 3 276.336 1.296 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cc3ccc(F)cc3[nH]2)C[C@H]1O ZINC000299850705 357750372 /nfs/dbraw/zinc/75/03/72/357750372.db2.gz IHEBCVRRIRIUGA-ZIAGYGMSSA-N 0 3 291.326 1.054 40 0 CDABHN CN1CCC(NC(=O)c2cc(F)ccc2F)CC1 ZINC000082271068 358154739 /nfs/dbraw/zinc/15/47/39/358154739.db2.gz WJZDTCQOYQTLLZ-UHFFFAOYSA-N 0 3 254.280 1.789 40 0 CDABHN COC(=O)c1cc(N)c(C)c(OCCN(C)C)c1 ZINC000095095525 366404637 /nfs/dbraw/zinc/40/46/37/366404637.db2.gz RJOFAHFFDSKQMU-UHFFFAOYSA-N 0 3 252.314 1.304 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N[C@H]3C)s1 ZINC000096201474 358718293 /nfs/dbraw/zinc/71/82/93/358718293.db2.gz NAPVLYCFTXXAJB-LBPRGKRZSA-N 0 3 294.420 1.926 40 0 CDABHN COCCN1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccc(C)s1 ZINC000096245835 358725960 /nfs/dbraw/zinc/72/59/60/358725960.db2.gz BYYXHFHQUOBFJF-KBPBESRZSA-N 0 3 294.420 1.878 40 0 CDABHN COc1ccc(CN2CCC(C(=O)N(C)OC)CC2)cc1 ZINC000013999916 366505759 /nfs/dbraw/zinc/50/57/59/366505759.db2.gz LJZVRIXCPBVOJU-UHFFFAOYSA-N 0 3 292.379 1.927 40 0 CDABHN CC[C@H](O)[C@H]1CCCCN1CCN1CCOC1=O ZINC000076325346 367025438 /nfs/dbraw/zinc/02/54/38/367025438.db2.gz PHRBDCPEMDIBGR-NEPJUHHUSA-N 0 3 256.346 1.064 40 0 CDABHN CNCC(=O)Nc1cc(C)n(-c2ccc(F)cc2)n1 ZINC000225635519 369646470 /nfs/dbraw/zinc/64/64/70/369646470.db2.gz ZSMQHYHSMOYCTK-UHFFFAOYSA-N 0 3 262.288 1.478 40 0 CDABHN CCCC[C@@H](N)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000225562549 375164299 /nfs/dbraw/zinc/16/42/99/375164299.db2.gz KYMVUJIIBBHYPW-CYBMUJFWSA-N 0 3 294.374 1.387 40 0 CDABHN CN1CCC[C@H](c2ccc(C(=O)N3CCOCC3)cn2)C1 ZINC000257239133 190017793 /nfs/dbraw/zinc/01/77/93/190017793.db2.gz HOBSIBXBSGWOSR-AWEZNQCLSA-N 0 3 289.379 1.363 40 0 CDABHN Cn1ccnc1-c1cncc([C@@H]2CCCN(CCO)C2)n1 ZINC000257281997 190026208 /nfs/dbraw/zinc/02/62/08/190026208.db2.gz ORVNTMBFSXVKJB-GFCCVEGCSA-N 0 3 287.367 1.049 40 0 CDABHN COC[C@@H]1CN(C)CCN(C(=O)c2ccc(F)cc2)C1 ZINC000257294766 190028424 /nfs/dbraw/zinc/02/84/24/190028424.db2.gz QVQCSINPPKBWGX-GFCCVEGCSA-N 0 3 280.343 1.476 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257305776 190031008 /nfs/dbraw/zinc/03/10/08/190031008.db2.gz SRMBLOAAXCXNSL-KRWDZBQOSA-N 0 3 299.374 1.373 40 0 CDABHN CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390869 285083439 /nfs/dbraw/zinc/08/34/39/285083439.db2.gz KBQMPBJMSADWPO-GFCCVEGCSA-N 0 3 299.415 1.441 40 0 CDABHN CCc1ccc(CN2CCC3(CCNC3=O)CC2)o1 ZINC000096157702 256813568 /nfs/dbraw/zinc/81/35/68/256813568.db2.gz NCSFORUBMTUBDR-UHFFFAOYSA-N 0 3 262.353 1.944 40 0 CDABHN CCN1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216514 390621344 /nfs/dbraw/zinc/62/13/44/390621344.db2.gz JWQYCCKOQQFXKZ-HNNXBMFYSA-N 0 3 274.412 1.990 40 0 CDABHN CC(C)N(C(=O)[C@@H](C)NC[C@@H]1CCCO1)C(C)C ZINC000004969156 170046976 /nfs/dbraw/zinc/04/69/76/170046976.db2.gz NCETZSSCAXGGDG-OLZOCXBDSA-N 0 3 256.390 1.789 40 0 CDABHN CCOC(CCNCC(OCC)OCC)OCC ZINC000005837406 170145470 /nfs/dbraw/zinc/14/54/70/170145470.db2.gz AYQJBFKBVIODLQ-UHFFFAOYSA-N 0 3 263.378 1.764 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccc(F)cc2)C[C@H](C)O1 ZINC000022161878 171364248 /nfs/dbraw/zinc/36/42/48/171364248.db2.gz LKAVRIRVSFRCHU-UHIISALHSA-N 0 3 252.333 1.935 40 0 CDABHN CN1CCC[C@@H](c2nccnc2NCC(F)F)C1 ZINC000072386923 176392513 /nfs/dbraw/zinc/39/25/13/176392513.db2.gz QETORALZVSLSHO-SECBINFHSA-N 0 3 256.300 1.963 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397612 176395210 /nfs/dbraw/zinc/39/52/10/176395210.db2.gz CXRGNYDKPUQGJC-ZLKJLUDKSA-N 0 3 282.334 1.604 40 0 CDABHN CCN1C[C@@H](NC(=O)c2ccncc2)[C@H]2OCCC[C@H]2C1 ZINC000097953483 527948863 /nfs/dbraw/zinc/94/88/63/527948863.db2.gz CJGGDFWPGFSKSH-ZNMIVQPWSA-N 0 3 289.379 1.311 40 0 CDABHN CNc1ccccc1CNC[C@H]1CCCN1S(C)(=O)=O ZINC000902410704 624735156 /nfs/dbraw/zinc/73/51/56/624735156.db2.gz SLXSWAGYQHNTTA-CYBMUJFWSA-N 0 3 297.424 1.242 40 0 CDABHN COc1cccc(CNC[C@H]2OCCc3cn(C)nc32)c1 ZINC000096044281 185072098 /nfs/dbraw/zinc/07/20/98/185072098.db2.gz OFESWRDGPHPQKU-OAHLLOKOSA-N 0 3 287.363 1.832 40 0 CDABHN COCc1nnc2n1CCN(C1CCCC1)[C@H](C)C2 ZINC000585097356 342211589 /nfs/dbraw/zinc/21/15/89/342211589.db2.gz JGUWCCBTRMVTMR-LLVKDONJSA-N 0 3 264.373 1.614 40 0 CDABHN Cc1cc(N2C(=O)OCC2(C)C)nc([C@H]2CCCN2)n1 ZINC000585178813 342232566 /nfs/dbraw/zinc/23/25/66/342232566.db2.gz URKAMPBCHPLPOS-SNVBAGLBSA-N 0 3 276.340 1.945 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1 ZINC000004497851 356033162 /nfs/dbraw/zinc/03/31/62/356033162.db2.gz VQNJVEUIDSWMDN-AWEZNQCLSA-N 0 3 289.379 1.534 40 0 CDABHN COc1ccc(C(=O)N2CCC[C@H](N3CCCC3)C2)cn1 ZINC000019719144 356497091 /nfs/dbraw/zinc/49/70/91/356497091.db2.gz KKPKFIYKTHWUAD-AWEZNQCLSA-N 0 3 289.379 1.791 40 0 CDABHN CC(C)N(C[C@H]1CCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409260 356992677 /nfs/dbraw/zinc/99/26/77/356992677.db2.gz DYYUWUKFCSIRNV-LBPRGKRZSA-N 0 3 299.415 1.439 40 0 CDABHN CC(=O)N(C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079418016 356995669 /nfs/dbraw/zinc/99/56/69/356995669.db2.gz VSLQVALMJXYQJM-KBPBESRZSA-N 0 3 283.416 1.218 40 0 CDABHN COc1ccc(-c2nc(C)cc(N3CCNCC3)n2)cc1 ZINC000058047145 357375880 /nfs/dbraw/zinc/37/58/80/357375880.db2.gz KATTXFNBJNLWCI-UHFFFAOYSA-N 0 3 284.363 1.870 40 0 CDABHN Cc1cc(CN2CC3(C2)C[C@H](CO)CN3CC2CC2)no1 ZINC000585093980 358099985 /nfs/dbraw/zinc/09/99/85/358099985.db2.gz WDQBAUSCDGQMRI-AWEZNQCLSA-N 0 3 291.395 1.262 40 0 CDABHN COCCN1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1=O ZINC000096244977 358724535 /nfs/dbraw/zinc/72/45/35/358724535.db2.gz YTDVKUYTJZTJJH-STQMWFEESA-N 0 3 280.393 1.285 40 0 CDABHN COc1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096255566 358728756 /nfs/dbraw/zinc/72/87/56/358728756.db2.gz UBTREOMOFQJUGZ-UHFFFAOYSA-N 0 3 270.336 1.481 40 0 CDABHN O=C(NC1CCCCCC1)C1=NO[C@]2(C1)CCCNC2 ZINC000096268201 358730365 /nfs/dbraw/zinc/73/03/65/358730365.db2.gz LDDMJEFLNBBQAM-HNNXBMFYSA-N 0 3 279.384 1.724 40 0 CDABHN COc1cccc(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000113954559 359440415 /nfs/dbraw/zinc/44/04/15/359440415.db2.gz AEVTYUUYZXYOBK-GFCCVEGCSA-N 0 3 292.379 1.673 40 0 CDABHN O=C(CNC[C@H]1CCCO1)Nc1ccc2c(c1)CCO2 ZINC000237940918 360193045 /nfs/dbraw/zinc/19/30/45/360193045.db2.gz KLFBIQQVQAAAMN-CYBMUJFWSA-N 0 3 276.336 1.329 40 0 CDABHN CN(C)CCNC(=O)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225719001 373191589 /nfs/dbraw/zinc/19/15/89/373191589.db2.gz FHYQIGJEXLTCTC-LBPRGKRZSA-N 0 3 295.408 1.257 40 0 CDABHN COc1cc(N2CCN[C@@H](C)C2)nc(SC)n1 ZINC000079439639 374405765 /nfs/dbraw/zinc/40/57/65/374405765.db2.gz KMJGOHQGIIVISY-QMMMGPOBSA-N 0 3 254.359 1.005 40 0 CDABHN COc1cc(OC)cc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019840897 374805447 /nfs/dbraw/zinc/80/54/47/374805447.db2.gz SZEXTGUURAXLBJ-MQIPJXDCSA-N 0 3 294.395 1.813 40 0 CDABHN CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000080529655 374955726 /nfs/dbraw/zinc/95/57/26/374955726.db2.gz GONYOMOXGXABBV-QWHCGFSZSA-N 0 3 299.415 1.310 40 0 CDABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)c1 ZINC000257204619 190011824 /nfs/dbraw/zinc/01/18/24/190011824.db2.gz AVOGDBKFWIQGMI-GFCCVEGCSA-N 0 3 297.424 1.959 40 0 CDABHN COc1ccccc1[C@@H]1CNCCN1Cc1ccn(C)n1 ZINC000257218118 190013668 /nfs/dbraw/zinc/01/36/68/190013668.db2.gz DBYNKBQNZHNWHL-HNNXBMFYSA-N 0 3 286.379 1.575 40 0 CDABHN CN1CCC[C@@H]2N(C(=O)c3ncccn3)CCC[C@@]21C ZINC000257220369 190014389 /nfs/dbraw/zinc/01/43/89/190014389.db2.gz DKNYCQAZLZOAAH-WFASDCNBSA-N 0 3 274.368 1.566 40 0 CDABHN Cc1cc(-c2nccnc2[C@H]2CCCN(C)C2)n[nH]1 ZINC000257234497 190017373 /nfs/dbraw/zinc/01/73/73/190017373.db2.gz GTUCWYWNYMRJOA-NSHDSACASA-N 0 3 257.341 1.984 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000257245223 190019159 /nfs/dbraw/zinc/01/91/59/190019159.db2.gz IOOJFMUGXUPXAK-HNNXBMFYSA-N 0 3 296.798 1.408 40 0 CDABHN CN1CCC[C@@H]2N(C(=O)c3cnccn3)CCC[C@@]21C ZINC000257314192 190031839 /nfs/dbraw/zinc/03/18/39/190031839.db2.gz UVSDAWPSKPPJIL-ZFWWWQNUSA-N 0 3 274.368 1.566 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000063527050 378303577 /nfs/dbraw/zinc/30/35/77/378303577.db2.gz YVHWRJATGHWELC-ZDUSSCGKSA-N 0 3 289.379 1.407 40 0 CDABHN O[C@H]1CC=C2CCN3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734932 285361353 /nfs/dbraw/zinc/36/13/53/285361353.db2.gz XKYSLILSDJBMCU-RCBQFDQVSA-N 0 3 271.316 1.778 40 0 CDABHN C(CN1CCCC[C@@H]1C1OCCO1)N1CCCCC1 ZINC000078601977 390945520 /nfs/dbraw/zinc/94/55/20/390945520.db2.gz VLXTYHRCOSVIPM-CQSZACIVSA-N 0 3 268.401 1.700 40 0 CDABHN O=C(Nc1ccccc1)C1=NO[C@]2(C1)CCCNC2 ZINC000096225179 390913551 /nfs/dbraw/zinc/91/35/51/390913551.db2.gz XLZCUKQOQYDCOH-AWEZNQCLSA-N 0 3 259.309 1.524 40 0 CDABHN CCO[C@H]1C[C@@H](N[C@@H]2CCN(C)C2=O)C1(CC)CC ZINC000095408396 391177401 /nfs/dbraw/zinc/17/74/01/391177401.db2.gz PUUCDHAYXHDYSL-UPJWGTAASA-N 0 3 268.401 1.791 40 0 CDABHN CNc1ncc(CNCCc2ccc(F)cc2)cn1 ZINC000062717457 391570996 /nfs/dbraw/zinc/57/09/96/391570996.db2.gz WFFWLTPGSUGEQX-UHFFFAOYSA-N 0 3 260.316 1.990 40 0 CDABHN Cc1cc(CN2CCN(C)[C@@H](C(C)C)C2)nn1C ZINC000488020584 392297769 /nfs/dbraw/zinc/29/77/69/392297769.db2.gz BYGBSYTWOGIOHM-CQSZACIVSA-N 0 3 250.390 1.501 40 0 CDABHN CCCCOCCCNCc1cnc(NC)nc1 ZINC000062717481 392803634 /nfs/dbraw/zinc/80/36/34/392803634.db2.gz IVLGJMZVPIVKFQ-UHFFFAOYSA-N 0 3 252.362 1.815 40 0 CDABHN CNC(=O)c1sc2nccnc2c1C1CCN(C)CC1 ZINC000257280937 397607277 /nfs/dbraw/zinc/60/72/77/397607277.db2.gz OMZRGAMMENGZEW-UHFFFAOYSA-N 0 3 290.392 1.860 40 0 CDABHN c1ncc(CN2CC[C@@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076137 398070476 /nfs/dbraw/zinc/07/04/76/398070476.db2.gz WXWXQIXRYBOLJK-CQSZACIVSA-N 0 3 270.340 1.055 40 0 CDABHN CCOc1cc(CN[C@H](CC)CO)ccc1OC ZINC000008337078 170331891 /nfs/dbraw/zinc/33/18/91/170331891.db2.gz DVYDPPBUCVILRK-GFCCVEGCSA-N 0 3 253.342 1.954 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000022161874 171364225 /nfs/dbraw/zinc/36/42/25/171364225.db2.gz LKAVRIRVSFRCHU-JTNHKYCSSA-N 0 3 252.333 1.935 40 0 CDABHN COc1ccc(CCC(=O)NCCN(C)C)cc1OC ZINC000022521574 171389763 /nfs/dbraw/zinc/38/97/63/171389763.db2.gz GKKZWMZOVXXZOV-UHFFFAOYSA-N 0 3 280.368 1.314 40 0 CDABHN CN(C)[C@@H]1CN(c2ncccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040582 276846062 /nfs/dbraw/zinc/84/60/62/276846062.db2.gz INKMOVYJLZSDMM-XQQFMLRXSA-N 0 3 262.357 1.022 40 0 CDABHN Brc1cccc2c([C@@H]3CNCCO3)ncn21 ZINC000095698615 342451693 /nfs/dbraw/zinc/45/16/93/342451693.db2.gz PMXWITXTQKAMSR-VIFPVBQESA-N 0 3 282.141 1.758 40 0 CDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096056471 185077452 /nfs/dbraw/zinc/07/74/52/185077452.db2.gz SEORHUZFGIYJHB-CABCVRRESA-N 0 3 291.395 1.407 40 0 CDABHN O[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1cccnc1 ZINC000096061607 185083471 /nfs/dbraw/zinc/08/34/71/185083471.db2.gz KRYXOFLSEHCEET-JKSUJKDBSA-N 0 3 269.348 1.655 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@H]12 ZINC000096064191 185084074 /nfs/dbraw/zinc/08/40/74/185084074.db2.gz FYRHEJFHZANEGN-FVQBIDKESA-N 0 3 299.374 1.569 40 0 CDABHN Cc1nc(-c2nccn2C)cc([C@H]2CCCN(C)C2)n1 ZINC000585178844 342232625 /nfs/dbraw/zinc/23/26/25/342232625.db2.gz OAGPRNUHIACEME-LBPRGKRZSA-N 0 3 271.368 1.995 40 0 CDABHN CCC(CC)C(=O)NC[C@H](O)CN1CCC(C)CC1 ZINC000081780295 362214106 /nfs/dbraw/zinc/21/41/06/362214106.db2.gz LAFRPPRFSCSVEX-AWEZNQCLSA-N 0 3 270.417 1.632 40 0 CDABHN c1cc2nc(C3CCN(Cc4cnc[nH]4)CC3)ccn2n1 ZINC000257344248 362588191 /nfs/dbraw/zinc/58/81/91/362588191.db2.gz ZWGKAZLLLPMZAF-UHFFFAOYSA-N 0 3 282.351 1.832 40 0 CDABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)s1 ZINC000205682888 348743988 /nfs/dbraw/zinc/74/39/88/348743988.db2.gz VMKFHOQFYUOYFG-CYBMUJFWSA-N 0 3 268.382 1.195 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cccnc1)C2 ZINC000108527142 186220513 /nfs/dbraw/zinc/22/05/13/186220513.db2.gz FCDDBROQUOBPBC-GDBMZVCRSA-N 0 3 273.380 1.820 40 0 CDABHN CCOC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990233 363025827 /nfs/dbraw/zinc/02/58/27/363025827.db2.gz DAQSKKYMPSSIME-UONOGXRCSA-N 0 3 283.393 1.523 40 0 CDABHN CN(C)CC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000158241233 188364995 /nfs/dbraw/zinc/36/49/95/188364995.db2.gz GNSAWOXWFUBNOK-QGZVFWFLSA-N 0 3 289.423 1.719 40 0 CDABHN COc1ccc2c3c1O[C@H]1C[C@H](O)C=C[C@]31CCN(C)C2 ZINC000003881813 356012115 /nfs/dbraw/zinc/01/21/15/356012115.db2.gz ASUTZQLVASHGKV-HACGYAERSA-N 0 3 287.359 1.850 40 0 biogenic CDABHN CC(C)Oc1cc(CCC(=O)N[C@H]2CCCN(C)C2)on1 ZINC000019450528 356485782 /nfs/dbraw/zinc/48/57/82/356485782.db2.gz KVPBTGWGXRMVJM-LBPRGKRZSA-N 0 3 295.383 1.605 40 0 CDABHN O=C(CCN1CCC(CO)CC1)Nc1ccccc1F ZINC000048335215 356789481 /nfs/dbraw/zinc/78/94/81/356789481.db2.gz CEIZGRITHRYRTG-UHFFFAOYSA-N 0 3 280.343 1.859 40 0 CDABHN C[C@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000079404377 356991318 /nfs/dbraw/zinc/99/13/18/356991318.db2.gz ISPWQDMBNXNFRA-DZGCQCFKSA-N 0 3 275.396 1.505 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079409556 356992488 /nfs/dbraw/zinc/99/24/88/356992488.db2.gz DHLNMATUWBDFFP-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN Fc1cnc(N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)nc1 ZINC000096161576 358711220 /nfs/dbraw/zinc/71/12/20/358711220.db2.gz UOPJXRQVGOPWQL-BETUJISGSA-N 0 3 299.353 1.579 40 0 CDABHN O=C(c1ccncc1F)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000096184415 358713938 /nfs/dbraw/zinc/71/39/38/358713938.db2.gz FPUDBORNLQJQKA-LSDHHAIUSA-N 0 3 289.354 1.920 40 0 CDABHN Cc1ccc(C[N@H+]2CC[C@H](N(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198693 358717205 /nfs/dbraw/zinc/71/72/05/358717205.db2.gz HQRWHMJJEVALCL-LSDHHAIUSA-N 0 3 276.380 1.974 40 0 CDABHN Cc1ccc(C[N@@H+]2CC[C@H](N(C)C)C[C@@H]2C(=O)[O-])cc1 ZINC000096198693 358717211 /nfs/dbraw/zinc/71/72/11/358717211.db2.gz HQRWHMJJEVALCL-LSDHHAIUSA-N 0 3 276.380 1.974 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@H]2OC ZINC000096209442 358720880 /nfs/dbraw/zinc/72/08/80/358720880.db2.gz XJSKFCPAAGPFPQ-BFHYXJOUSA-N 0 3 295.452 1.993 40 0 CDABHN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN2CCC[C@@H]2C1 ZINC000028233024 359492945 /nfs/dbraw/zinc/49/29/45/359492945.db2.gz DZBXGWZQHYIHFT-MRVPVSSYSA-N 0 3 288.273 1.349 40 0 CDABHN c1ncn2c1CNC[C@H](COCc1ccccn1)C2 ZINC000306140528 374972085 /nfs/dbraw/zinc/97/20/85/374972085.db2.gz UWIKDJDHMBKVOV-LBPRGKRZSA-N 0 3 258.325 1.214 40 0 CDABHN CC(C)C(=O)N[C@H]1CCN(Cc2ccsc2)CC[C@@H]1O ZINC000257247854 190019363 /nfs/dbraw/zinc/01/93/63/190019363.db2.gz JAWCGXPEYNKNGG-KBPBESRZSA-N 0 3 296.436 1.846 40 0 CDABHN CN1CCC[C@@H]2N(C(=O)Cn3ccnc3)CCC[C@@]21C ZINC000257295321 190028633 /nfs/dbraw/zinc/02/86/33/190028633.db2.gz QXWKFRWISHAPOC-ZFWWWQNUSA-N 0 3 276.384 1.358 40 0 CDABHN O=C(CNCCO)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000005043908 295519521 /nfs/dbraw/zinc/51/95/21/295519521.db2.gz NVBWINIXGYOBIG-DOOHLRMFSA-N 0 3 251.370 1.744 40 0 CDABHN CCN(C[C@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(C)=O ZINC000079417962 285082698 /nfs/dbraw/zinc/08/26/98/285082698.db2.gz VAAAUYRMXXMZQQ-KGLIPLIRSA-N 0 3 283.416 1.219 40 0 CDABHN CC(C)C[C@H](NC(=O)[C@@H](C)N)C(=O)OC(C)(C)C ZINC000001581735 390140048 /nfs/dbraw/zinc/14/00/48/390140048.db2.gz MXDWBAYBLVBWAW-ZJUUUORDSA-N 0 3 258.362 1.206 40 0 CDABHN O=CN1CCCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216375 390621350 /nfs/dbraw/zinc/62/13/50/390621350.db2.gz MPXVKSDOAWEZQK-CQSZACIVSA-N 0 3 274.368 1.175 40 0 CDABHN CN(C)CCNCc1cc(-c2cccs2)nn1C ZINC000072226271 390626018 /nfs/dbraw/zinc/62/60/18/390626018.db2.gz ZMVUYTIHCNKVKB-UHFFFAOYSA-N 0 3 264.398 1.800 40 0 CDABHN COc1ccc(OC)c([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022162128 171364326 /nfs/dbraw/zinc/36/43/26/171364326.db2.gz QTTXXVGVYBTEEU-ZOWXZIJZSA-N 0 3 294.395 1.813 40 0 CDABHN Cc1noc(C2(C)CCN([C@@H]3CCC[C@H]3O)CC2)n1 ZINC000072367474 176381496 /nfs/dbraw/zinc/38/14/96/176381496.db2.gz IORDLQHJOPYRED-VXGBXAGGSA-N 0 3 265.357 1.645 40 0 CDABHN CC(C)OCCCNCc1cnc(N2CCOCC2)nc1 ZINC000062717770 262303152 /nfs/dbraw/zinc/30/31/52/262303152.db2.gz VNHPIIURRQSFFX-UHFFFAOYSA-N 0 3 294.399 1.218 40 0 CDABHN CCN(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390882 276061107 /nfs/dbraw/zinc/06/11/07/276061107.db2.gz FOPFLGRUZVXQIR-VXGBXAGGSA-N 0 3 299.415 1.630 40 0 CDABHN CN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096046715 185071163 /nfs/dbraw/zinc/07/11/63/185071163.db2.gz MRDBDHYOXUJLPI-UHFFFAOYSA-N 0 3 259.353 1.526 40 0 CDABHN COCCN1CCO[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1 ZINC000096107975 185099532 /nfs/dbraw/zinc/09/95/32/185099532.db2.gz XICHCSRRJTXHMH-GOEBONIOSA-N 0 3 294.395 1.367 40 0 CDABHN Fc1cccnc1OC[C@@H]1CCn2nccc2CN1 ZINC000585097200 342211814 /nfs/dbraw/zinc/21/18/14/342211814.db2.gz IRKNKZSAGGAICW-JTQLQIEISA-N 0 3 262.288 1.358 40 0 CDABHN C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585103278 342212726 /nfs/dbraw/zinc/21/27/26/342212726.db2.gz ARAHLTJTEMZTKF-RHSMWYFYSA-N 0 3 288.391 1.928 40 0 CDABHN CN(C)C(=O)CC[C@@]1(O)CCCN(Cc2ccccc2)C1 ZINC000585276378 342256281 /nfs/dbraw/zinc/25/62/81/342256281.db2.gz NYFCYNPSOZBGQU-KRWDZBQOSA-N 0 3 290.407 1.882 40 0 CDABHN C[C@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000079404374 356991069 /nfs/dbraw/zinc/99/10/69/356991069.db2.gz ISPWQDMBNXNFRA-ZFWWWQNUSA-N 0 3 275.396 1.505 40 0 CDABHN CN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)CN ZINC000079415161 356994072 /nfs/dbraw/zinc/99/40/72/356994072.db2.gz GEMGMSIYTUDBGY-AWEZNQCLSA-N 0 3 261.369 1.068 40 0 CDABHN CNC(=O)[C@]1(C)CN(C2CCCCCC2)CCO1 ZINC000072379690 357830600 /nfs/dbraw/zinc/83/06/00/357830600.db2.gz RYFFUGPWMJVHKD-AWEZNQCLSA-N 0 3 254.374 1.546 40 0 CDABHN O=c1cc2c(nn1Cc1ccccc1F)CCNC2 ZINC000063169752 358569632 /nfs/dbraw/zinc/56/96/32/358569632.db2.gz MZBLQKOOFPWARP-UHFFFAOYSA-N 0 3 259.284 1.076 40 0 CDABHN CCN1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096220570 358723313 /nfs/dbraw/zinc/72/33/13/358723313.db2.gz JYGJUHXRUUIVRJ-DZGCQCFKSA-N 0 3 261.369 1.234 40 0 CDABHN Cc1cccc(CN2CC[C@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228626 358724120 /nfs/dbraw/zinc/72/41/20/358724120.db2.gz SYWZZOGEMGYICF-ZBFHGGJFSA-N 0 3 273.380 1.690 40 0 CDABHN Cn1cccc1CN1C[C@@H]2C(=O)N(c3cccnc3)C[C@@H]2C1 ZINC000096245171 358725438 /nfs/dbraw/zinc/72/54/38/358725438.db2.gz UWDHUJCDIMAMQO-BBRMVZONSA-N 0 3 296.374 1.515 40 0 CDABHN Cc1ccc(C(=O)N2CCN3CCC[C@H]3C2)s1 ZINC000027932605 375163083 /nfs/dbraw/zinc/16/30/83/375163083.db2.gz WOFKQVMFAMGTIH-NSHDSACASA-N 0 3 250.367 1.977 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257203042 190011719 /nfs/dbraw/zinc/01/17/19/190011719.db2.gz AOJVALVBFASSKZ-CQSZACIVSA-N 0 3 287.367 1.698 40 0 CDABHN CC1(c2ncc(Cl)s2)CCN(C(=O)CN)CC1 ZINC000257227563 190015385 /nfs/dbraw/zinc/01/53/85/190015385.db2.gz FPXUZQBDGZONGA-UHFFFAOYSA-N 0 3 273.789 1.635 40 0 CDABHN C[C@H](C(=O)NC[C@@H](C)C[C@H](C)O)N1CCCCCC1 ZINC000073914299 378857986 /nfs/dbraw/zinc/85/79/86/378857986.db2.gz UCPWUTNGQFGRQB-MELADBBJSA-N 0 3 270.417 1.774 40 0 CDABHN O=C1CCCC(=O)N1[C@H]1CCCN2CCCC[C@@H]12 ZINC000005382570 296316853 /nfs/dbraw/zinc/31/68/53/296316853.db2.gz RIXNCQKSTKRRRI-RYUDHWBXSA-N 0 3 250.342 1.542 40 0 biogenic,in-vitro CDABHN COCCn1cnnc1[C@@H]1CCCN(C(C)C)C1 ZINC000072359879 285194693 /nfs/dbraw/zinc/19/46/93/285194693.db2.gz DMQJZFPJQKXYRK-GFCCVEGCSA-N 0 3 252.362 1.512 40 0 CDABHN CCCCN[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 ZINC000055112090 390488712 /nfs/dbraw/zinc/48/87/12/390488712.db2.gz YTYFYSXDNUDVKJ-KGLIPLIRSA-N 0 3 282.409 1.654 40 0 CDABHN CN1CCN(c2ncccc2[C@@H]2CCCCN2)CC1 ZINC000072216594 390622155 /nfs/dbraw/zinc/62/21/55/390622155.db2.gz ZFNFZKBQZGLDCL-AWEZNQCLSA-N 0 3 260.385 1.648 40 0 CDABHN Cc1ccc(NC(=O)C2=NO[C@@]3(C2)CCCNC3)cc1 ZINC000096157264 390913335 /nfs/dbraw/zinc/91/33/35/390913335.db2.gz LUUZUQLVCFQFKL-OAHLLOKOSA-N 0 3 273.336 1.832 40 0 CDABHN COc1ccc(NC(=O)[C@H]2CCCCN2)cc1OC ZINC000004713083 170003861 /nfs/dbraw/zinc/00/38/61/170003861.db2.gz YMLKPRALEGPJBK-LLVKDONJSA-N 0 3 264.325 1.784 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000022161866 171364216 /nfs/dbraw/zinc/36/42/16/171364216.db2.gz LKAVRIRVSFRCHU-GYSYKLTISA-N 0 3 252.333 1.935 40 0 CDABHN CN(C)C(=O)[C@@]1(C)CCCN(Cc2cnn(C)c2)C1 ZINC000072355266 176374813 /nfs/dbraw/zinc/37/48/13/176374813.db2.gz GOHZYACPGIPWCY-AWEZNQCLSA-N 0 3 264.373 1.110 40 0 CDABHN OCCN1CCN(CCCc2ccc(Cl)cc2)CC1 ZINC000077247108 424185980 /nfs/dbraw/zinc/18/59/80/424185980.db2.gz JODZKJNKLSHRMK-UHFFFAOYSA-N 0 3 282.815 1.883 40 0 CDABHN CCN1CCC(O)([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000001734011 276152479 /nfs/dbraw/zinc/15/24/79/276152479.db2.gz RBVVLZFGQZUYFP-AWEZNQCLSA-N 0 3 277.364 1.790 40 0 CDABHN C[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391200 278223820 /nfs/dbraw/zinc/22/38/20/278223820.db2.gz AJNBCMCHPDRBQB-WDEREUQCSA-N 0 3 285.388 1.097 40 0 CDABHN CN(C)C[C@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000085470108 289218787 /nfs/dbraw/zinc/21/87/87/289218787.db2.gz ANUWSDMQBRZDGN-ZDUSSCGKSA-N 0 3 296.798 1.672 40 0 CDABHN CC(C)(C)c1ccc(CN2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260769281 328066088 /nfs/dbraw/zinc/06/60/88/328066088.db2.gz LHBKZNDAWXZZQW-CQSZACIVSA-N 0 3 296.436 1.847 40 0 CDABHN NC(=O)CC[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000166771689 482843989 /nfs/dbraw/zinc/84/39/89/482843989.db2.gz SCBLXQAXDOWFIH-CYBMUJFWSA-N 0 3 271.320 1.371 40 0 CDABHN CN1CCC[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793586 567903242 /nfs/dbraw/zinc/90/32/42/567903242.db2.gz BHQNAKIHLCMYIZ-NSHDSACASA-N 0 3 261.325 1.066 40 0 CDABHN CC(C)CN1CC2(C1)CCN(C(=O)c1cscn1)C2 ZINC000096070757 185086837 /nfs/dbraw/zinc/08/68/37/185086837.db2.gz HXCDICQOAUHMAX-UHFFFAOYSA-N 0 3 279.409 1.947 40 0 CDABHN COCC[C@H]1CO[C@@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073418 185087747 /nfs/dbraw/zinc/08/77/47/185087747.db2.gz CIRNHUGSLSPKBC-UKRRQHHQSA-N 0 3 279.384 1.817 40 0 CDABHN CN1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104100 342212469 /nfs/dbraw/zinc/21/24/69/342212469.db2.gz JBARUBIYIVRRAO-INIZCTEOSA-N 0 3 274.364 1.367 40 0 CDABHN O[C@@]1(COc2cccc(F)c2)COCCN(C2CCC2)C1 ZINC000585284279 342258591 /nfs/dbraw/zinc/25/85/91/342258591.db2.gz WNZHHISZDTVASZ-MRXNPFEDSA-N 0 3 295.354 1.820 40 0 CDABHN Fc1cccc(Cc2nsc(N3CCNCC3)n2)c1 ZINC000034839820 348745318 /nfs/dbraw/zinc/74/53/18/348745318.db2.gz ZOTMIGZRLBBMHQ-UHFFFAOYSA-N 0 3 278.356 1.678 40 0 CDABHN C[C@@H](Cc1ccccc1F)NC[C@@H]1CCCS1(=O)=O ZINC000157782606 188338199 /nfs/dbraw/zinc/33/81/99/188338199.db2.gz KGBQMIWFESCUES-AAEUAGOBSA-N 0 3 285.384 1.924 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1 ZINC000004476514 356031962 /nfs/dbraw/zinc/03/19/62/356031962.db2.gz RVGUQPGNMZYGQO-ZDUSSCGKSA-N 0 3 275.352 1.226 40 0 CDABHN c1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)nc1 ZINC000019401872 356484170 /nfs/dbraw/zinc/48/41/70/356484170.db2.gz AMEUGNSHBJKPDF-MRXNPFEDSA-N 0 3 295.390 1.854 40 0 CDABHN Cc1c2c(nn1CC(F)F)nc(N1CCNCC1)cc2C ZINC000012398898 356681573 /nfs/dbraw/zinc/68/15/73/356681573.db2.gz QQYJXLVLVDPCRS-UHFFFAOYSA-N 0 3 295.337 1.723 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)CC(=O)c1cccs1 ZINC000079436331 356996552 /nfs/dbraw/zinc/99/65/52/356996552.db2.gz KZQMMQKRJPUZGA-NSHDSACASA-N 0 3 254.355 1.373 40 0 CDABHN C[C@@H]1C[C@@H](C)CN(Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397380 357832931 /nfs/dbraw/zinc/83/29/31/357832931.db2.gz BCHDRTJILNPJNE-ZIAGYGMSSA-N 0 3 290.411 1.791 40 0 CDABHN CC(=O)N1CC2(C1)C[C@H](COCc1ccccn1)CN2C ZINC000585093880 358099150 /nfs/dbraw/zinc/09/91/50/358099150.db2.gz MLSVWYLVWFDIAD-AWEZNQCLSA-N 0 3 289.379 1.151 40 0 CDABHN COC[C@@H]1CN(CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094008 358099812 /nfs/dbraw/zinc/09/98/12/358099812.db2.gz YWQWRUDXHVZSAD-AWEZNQCLSA-N 0 3 288.395 1.414 40 0 CDABHN COCCC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 ZINC000096200803 358718162 /nfs/dbraw/zinc/71/81/62/358718162.db2.gz HBSCYSISPHRDRW-CVEARBPZSA-N 0 3 290.407 1.797 40 0 CDABHN OCCN1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000096239816 358724943 /nfs/dbraw/zinc/72/49/43/358724943.db2.gz RWGQXEWBUALLBJ-ZDUSSCGKSA-N 0 3 298.337 1.006 40 0 CDABHN NCC(=O)N1CCc2sc(Br)cc2C1 ZINC000095097550 366512819 /nfs/dbraw/zinc/51/28/19/366512819.db2.gz JLAYOEOSHDIDPX-UHFFFAOYSA-N 0 3 275.171 1.354 40 0 CDABHN CCCCO[C@H]1C[C@@H](N[C@@H]2CCN(C)C2=O)C1(C)C ZINC000095407259 360581163 /nfs/dbraw/zinc/58/11/63/360581163.db2.gz PYFLVOMQWNGHTF-UPJWGTAASA-N 0 3 268.401 1.791 40 0 CDABHN CCN(C(C)=O)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079417977 284263167 /nfs/dbraw/zinc/26/31/67/284263167.db2.gz WHPDOPYAWKRBIG-RUXDESIVSA-N 0 3 283.416 1.266 40 0 CDABHN COc1ccc(C[C@@H](N)C(=O)NCc2ccccc2)cc1 ZINC000001594230 373656291 /nfs/dbraw/zinc/65/62/91/373656291.db2.gz SUDQUNYKYSUYOA-MRXNPFEDSA-N 0 3 284.359 1.881 40 0 CDABHN CN(C)CCNC(=O)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225719029 375189107 /nfs/dbraw/zinc/18/91/07/375189107.db2.gz FHYQIGJEXLTCTC-GFCCVEGCSA-N 0 3 295.408 1.257 40 0 CDABHN CN1CCC(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)CC1 ZINC000257205972 190011233 /nfs/dbraw/zinc/01/12/33/190011233.db2.gz BBIAWDDWZBEZJL-FMKPAKJESA-N 0 3 280.412 1.480 40 0 CDABHN CNCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2Cc1ncccn1 ZINC000257204371 190011593 /nfs/dbraw/zinc/01/15/93/190011593.db2.gz AUGHETWBBDFYCG-MGPQQGTHSA-N 0 3 288.395 1.113 40 0 CDABHN Cc1n[nH]c(C)c1-c1cnc(C[C@@H]2CCN(C)C2)cn1 ZINC000257212634 190013023 /nfs/dbraw/zinc/01/30/23/190013023.db2.gz CEHDDLFYROJRLC-LBPRGKRZSA-N 0 3 271.368 1.978 40 0 CDABHN CCNC(=O)c1cnc(C[C@@H]2CCCN(C)C2)cn1 ZINC000257241130 190018318 /nfs/dbraw/zinc/01/83/18/190018318.db2.gz HWRQIIXXWVPGFA-NSHDSACASA-N 0 3 262.357 1.111 40 0 CDABHN CN(C)Cc1cncc([C@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257261758 190022044 /nfs/dbraw/zinc/02/20/44/190022044.db2.gz LIRVSWMKLMCSBC-OAHLLOKOSA-N 0 3 286.383 1.598 40 0 CDABHN COCCNC(=O)[C@@]1(Cc2ccccc2)CCCN1C ZINC000257289560 190027694 /nfs/dbraw/zinc/02/76/94/190027694.db2.gz PZFCOCGVNSKOEI-INIZCTEOSA-N 0 3 276.380 1.456 40 0 CDABHN CN(C)Cc1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000067897794 377285549 /nfs/dbraw/zinc/28/55/49/377285549.db2.gz JHEVJZSRMISDIW-UHFFFAOYSA-N 0 3 293.411 1.970 40 0 biogenic,in-vitro CDABHN CC(C)CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)C1CC1 ZINC000096055791 390912238 /nfs/dbraw/zinc/91/22/38/390912238.db2.gz KNTYFHGDGNDSMN-QWHCGFSZSA-N 0 3 272.414 1.283 40 0 CDABHN CCSc1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000062717292 391061404 /nfs/dbraw/zinc/06/14/04/391061404.db2.gz ZTJWOLONNWMFGO-NSHDSACASA-N 0 3 253.371 1.857 40 0 CDABHN COc1ccc(Br)cc1CNC[C@H](C)O ZINC000005911918 170154484 /nfs/dbraw/zinc/15/44/84/170154484.db2.gz RYRBETLXDWHSGP-QMMMGPOBSA-N 0 3 274.158 1.928 40 0 CDABHN CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCN(C)C ZINC000022519225 171389766 /nfs/dbraw/zinc/38/97/66/171389766.db2.gz AHBLTVNPPCYVPE-CQSZACIVSA-N 0 3 280.368 1.530 40 0 CDABHN CCN(CC)CCN[C@H](C)C(=O)N1CCC(C)CC1 ZINC000022586306 171393042 /nfs/dbraw/zinc/39/30/42/171393042.db2.gz RWJXPEUSNOGBLG-CQSZACIVSA-N 0 3 269.433 1.565 40 0 CDABHN CC(=O)NCC[C@H]1CCCN(Cc2ccncc2)C1 ZINC000072367950 176382360 /nfs/dbraw/zinc/38/23/60/176382360.db2.gz GKSVRZNGHSEMPP-CQSZACIVSA-N 0 3 261.369 1.820 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397619 176395257 /nfs/dbraw/zinc/39/52/57/176395257.db2.gz XLNJRKVRWGASSU-AEGPPILISA-N 0 3 298.390 1.269 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083318377 260188912 /nfs/dbraw/zinc/18/89/12/260188912.db2.gz IUAIUTQQJMTBTQ-DCAQKATOSA-N 0 3 285.388 1.286 40 0 CDABHN Cc1nccc(N2CCNC[C@H]2c2ccccc2)n1 ZINC000257290194 302709617 /nfs/dbraw/zinc/70/96/17/302709617.db2.gz QBYRCJTYOMBPSD-AWEZNQCLSA-N 0 3 254.337 1.936 40 0 CDABHN Cc1ccc([C@@H](N)c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095534125 185007104 /nfs/dbraw/zinc/00/71/04/185007104.db2.gz TXDKDFXUIFOKKJ-CYBMUJFWSA-N 0 3 268.324 1.406 40 0 CDABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049714 185074767 /nfs/dbraw/zinc/07/47/67/185074767.db2.gz HUIZJLSBUPQGIS-MRXNPFEDSA-N 0 3 294.395 1.591 40 0 CDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C(C)C ZINC000096054223 185075899 /nfs/dbraw/zinc/07/58/99/185075899.db2.gz XYSVWXSFUCUVCN-AEGPPILISA-N 0 3 291.395 1.309 40 0 CDABHN c1cn2c(n1)CNC[C@@H](COCc1cccnc1)C2 ZINC000096059133 185079226 /nfs/dbraw/zinc/07/92/26/185079226.db2.gz MLLWBXZUICHFIT-CYBMUJFWSA-N 0 3 258.325 1.214 40 0 CDABHN CCN(CC)[C@@H]1CN(c2nncs2)C[C@@H]2CCCO[C@H]12 ZINC000096065168 185084682 /nfs/dbraw/zinc/08/46/82/185084682.db2.gz KPZGVHYTRFUCIC-XQQFMLRXSA-N 0 3 296.440 1.864 40 0 CDABHN CSCC[C@H](N)C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585286369 342258709 /nfs/dbraw/zinc/25/87/09/342258709.db2.gz WWPMIRWGCFRPLV-WOPDTQHZSA-N 0 3 286.441 1.483 40 0 CDABHN O=c1cc(-c2ccncc2)nc(C2CC[NH2+]CC2)[n-]1 ZINC000019405487 351318334 /nfs/dbraw/zinc/31/83/34/351318334.db2.gz BXTDCKDNPJXQOR-UHFFFAOYSA-N 0 3 256.309 1.299 40 0 CDABHN O=C(CN1CCNCC1)Nc1cccc2ccccc21 ZINC000023292121 356639778 /nfs/dbraw/zinc/63/97/78/356639778.db2.gz OVHCJNYUUSDTKJ-UHFFFAOYSA-N 0 3 269.348 1.684 40 0 CDABHN CN1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cccn1C)O2 ZINC000096206745 358720281 /nfs/dbraw/zinc/72/02/81/358720281.db2.gz PUABWTNSQIJZBM-XJKSGUPXSA-N 0 3 291.395 1.398 40 0 CDABHN O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1CC1CC1 ZINC000096245875 358725860 /nfs/dbraw/zinc/72/58/60/358725860.db2.gz FVBVADXPUUWOGW-GJZGRUSLSA-N 0 3 271.364 1.667 40 0 CDABHN CN(C)CCNC(=O)c1ccc2c(c1)nc(Cl)n2C ZINC000225987729 359638319 /nfs/dbraw/zinc/63/83/19/359638319.db2.gz HFIULPGETZRYKM-UHFFFAOYSA-N 0 3 280.759 1.518 40 0 CDABHN CCN(C(=O)OC(C)(C)C)C1CCN(CCO)CC1 ZINC000079408006 284193342 /nfs/dbraw/zinc/19/33/42/284193342.db2.gz IZQDAIJXRJNMKQ-UHFFFAOYSA-N 0 3 272.389 1.700 40 0 CDABHN Cn1cc(-c2ccc3nnc(C4CCN(C)CC4)n3n2)cn1 ZINC000306125721 374968566 /nfs/dbraw/zinc/96/85/66/374968566.db2.gz CZUDSKNZWHKIJR-UHFFFAOYSA-N 0 3 297.366 1.334 40 0 CDABHN CCOCCCNCc1cc(C(F)(F)F)nn1C ZINC000256049471 190002335 /nfs/dbraw/zinc/00/23/35/190002335.db2.gz ABLNWDXHAHQXHO-UHFFFAOYSA-N 0 3 265.279 1.955 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2ncc[nH]2)cc1 ZINC000257228421 190016521 /nfs/dbraw/zinc/01/65/21/190016521.db2.gz FTUGYZDHXBSJGP-AWEZNQCLSA-N 0 3 272.352 1.565 40 0 CDABHN CN1CCN(Cc2ccc(F)cc2Cl)C[C@@H](C(N)=O)C1 ZINC000257234621 190016945 /nfs/dbraw/zinc/01/69/45/190016945.db2.gz GUKDNHXDNBSDLH-NSHDSACASA-N 0 3 299.777 1.328 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257248520 190020135 /nfs/dbraw/zinc/02/01/35/190020135.db2.gz JEAJLCCBLPZDEH-INIZCTEOSA-N 0 3 294.370 1.283 40 0 CDABHN O=C(NCC1CCN(c2ccncc2)CC1)c1ccno1 ZINC000070928280 379510725 /nfs/dbraw/zinc/51/07/25/379510725.db2.gz HNKNZISWDRPRFJ-UHFFFAOYSA-N 0 3 286.335 1.716 40 0 CDABHN CCCNc1ncc(CNCCN(CC)CC)cn1 ZINC000062718458 256720923 /nfs/dbraw/zinc/72/09/23/256720923.db2.gz HUEDPHRTACHGJZ-UHFFFAOYSA-N 0 3 265.405 1.730 40 0 CDABHN c1csc(COC[C@@H]2CC[C@@H]3NCCO[C@H]23)n1 ZINC000096250118 256834118 /nfs/dbraw/zinc/83/41/18/256834118.db2.gz KZPUTSPATLCNNS-JBLDHEPKSA-N 0 3 254.355 1.427 40 0 CDABHN COc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1OC ZINC000001580573 390139036 /nfs/dbraw/zinc/13/90/36/390139036.db2.gz RMKAMTUETBZUNE-UHFFFAOYSA-N 0 3 294.395 1.626 40 0 CDABHN Cc1nc(CN2CCNCc3cccnc32)cs1 ZINC000096260853 390435274 /nfs/dbraw/zinc/43/52/74/390435274.db2.gz QQZDWKHSVZRNIU-UHFFFAOYSA-N 0 3 260.366 1.956 40 0 CDABHN COc1ccccc1C1=N[C@@]2(CCCNC2)N(C)C1=O ZINC000096516446 390534234 /nfs/dbraw/zinc/53/42/34/390534234.db2.gz ZYHGYILOJVMQDQ-HNNXBMFYSA-N 0 3 273.336 1.036 40 0 CDABHN CC[C@@H](O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000173558771 390946425 /nfs/dbraw/zinc/94/64/25/390946425.db2.gz IXWGJQQGFJUXTN-VXGBXAGGSA-N 0 3 272.389 1.746 40 0 CDABHN CCN(CC)CCNCc1cnc(SC)nc1 ZINC000062718325 391574682 /nfs/dbraw/zinc/57/46/82/391574682.db2.gz MTULHGPKGYKJKB-UHFFFAOYSA-N 0 3 254.403 1.630 40 0 CDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)CO)cc1 ZINC000218438798 391934232 /nfs/dbraw/zinc/93/42/32/391934232.db2.gz OWGHEIDQVFILHI-KFWWJZLASA-N 0 3 297.420 1.087 40 0 CDABHN CO[C@H](C)[C@](O)(C(=O)OCC1=CCN2CCC[C@H]12)C(C)C ZINC000008618660 170343400 /nfs/dbraw/zinc/34/34/00/170343400.db2.gz AORFDVNAPHMKAU-XPKDYRNWSA-N 0 3 297.395 1.356 40 0 CDABHN CNc1cc(Nc2nccc([C@H]3CCCCN3)n2)ncn1 ZINC000072376734 176385023 /nfs/dbraw/zinc/38/50/23/176385023.db2.gz VQZKJWPWSQMAET-SNVBAGLBSA-N 0 3 285.355 1.867 40 0 CDABHN C1CC1c1nc2c(c(N3CCNCC3)n1)CCCC2 ZINC000096516922 273483017 /nfs/dbraw/zinc/48/30/17/273483017.db2.gz WRTAMDLFZOZABK-UHFFFAOYSA-N 0 3 258.369 1.642 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H](N(C(=O)CN)C2CC2)C1 ZINC000079391147 278389966 /nfs/dbraw/zinc/38/99/66/278389966.db2.gz DHLMLLZDPSNBHT-GFCCVEGCSA-N 0 3 297.399 1.336 40 0 CDABHN CCN1CCO[C@@H]2CN(C(=O)COC3CCCC3)C[C@@H]2C1 ZINC000096107965 279386832 /nfs/dbraw/zinc/38/68/32/279386832.db2.gz YZNLPTGLAKDQRC-DZGCQCFKSA-N 0 3 296.411 1.125 40 0 CDABHN COP(=O)(OC)[C@@]1(O)C[C@H](C)N(C)C[C@@H]1C ZINC000003162966 293376509 /nfs/dbraw/zinc/37/65/09/293376509.db2.gz ANRNCSUBAGMGGV-GUBZILKMSA-N 0 3 251.263 1.521 40 0 CDABHN C[C@@H]1OCC[C@@]1(O)CNCc1cnn(C(C)(C)C)c1 ZINC000227966639 525583863 /nfs/dbraw/zinc/58/38/63/525583863.db2.gz VQUXOHCFKYKJDC-SMDDNHRTSA-N 0 3 267.373 1.268 40 0 CDABHN O=C(N1CCCC1)N1CCN2C[C@H](OCC3CC3)C[C@@H]2C1 ZINC000096055005 185075791 /nfs/dbraw/zinc/07/57/91/185075791.db2.gz PAURGSWULQWVEN-HUUCEWRRSA-N 0 3 293.411 1.387 40 0 CDABHN Cn1cncc1C(=O)N1CC[C@]2(CCN2CC2CC2)C1 ZINC000096075995 185089014 /nfs/dbraw/zinc/08/90/14/185089014.db2.gz UDOLNKHMLFYXSE-HNNXBMFYSA-N 0 3 274.368 1.121 40 0 CDABHN COCCNC[C@@H](O)c1cncc(Br)c1 ZINC000125143931 187171988 /nfs/dbraw/zinc/17/19/88/187171988.db2.gz CWAUOZGZCGUHCE-SNVBAGLBSA-N 0 3 275.146 1.114 40 0 CDABHN CO[C@]1(COc2ccccc2C)CCN(CCC(N)=O)C1 ZINC000585273359 342255857 /nfs/dbraw/zinc/25/58/57/342255857.db2.gz CTNPMVVWKKCEPG-MRXNPFEDSA-N 0 3 292.379 1.340 40 0 CDABHN CNC(=O)C[C@]1(CO)CCCN1Cc1cc(C(C)C)no1 ZINC000585278391 342256939 /nfs/dbraw/zinc/25/69/39/342256939.db2.gz SLILKHQMVWIRSL-HNNXBMFYSA-N 0 3 295.383 1.261 40 0 CDABHN COc1ccccc1Cc1nsc(N2CCNCC2)n1 ZINC000034839828 343402840 /nfs/dbraw/zinc/40/28/40/343402840.db2.gz UVGFIXJQYGSYHI-UHFFFAOYSA-N 0 3 290.392 1.547 40 0 CDABHN CCN1C(=O)C[C@H]2[C@H]1CCN2Cc1cccc(C)n1 ZINC000107799903 186191781 /nfs/dbraw/zinc/19/17/81/186191781.db2.gz MXOBEFGLJUQCRZ-KGLIPLIRSA-N 0 3 259.353 1.585 40 0 CDABHN CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019446427 356485302 /nfs/dbraw/zinc/48/53/02/356485302.db2.gz NSZOXBXLHNSZKQ-CQSZACIVSA-N 0 3 288.395 1.832 40 0 CDABHN CC(C)CCNC(=O)[C@@H]1CN(C)Cc2cn(C)nc21 ZINC000019701578 356495928 /nfs/dbraw/zinc/49/59/28/356495928.db2.gz QEYFJVRZXCWMIL-GFCCVEGCSA-N 0 3 264.373 1.111 40 0 CDABHN Cc1c(CN2CC[C@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745447 356499610 /nfs/dbraw/zinc/49/96/10/356499610.db2.gz OALOWQPLXYGZSR-AWEZNQCLSA-N 0 3 290.411 1.563 40 0 CDABHN C[C@H](N)C(=O)NCc1ccc(Br)cc1 ZINC000042238460 356875092 /nfs/dbraw/zinc/87/50/92/356875092.db2.gz GKDNMVAGNYBQNR-ZETCQYMHSA-N 0 3 257.131 1.413 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCN(CCO)C1 ZINC000079408166 356992406 /nfs/dbraw/zinc/99/24/06/356992406.db2.gz MQNCGLNIDFGQDD-GFCCVEGCSA-N 0 3 270.373 1.453 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000079418843 356994518 /nfs/dbraw/zinc/99/45/18/356994518.db2.gz WWANHMVEWVRPEF-JTQLQIEISA-N 0 3 276.336 1.296 40 0 CDABHN COC(=O)[C@H](C)CNCc1ccc2c(c1)OCO2 ZINC000047219173 357154010 /nfs/dbraw/zinc/15/40/10/357154010.db2.gz WDCROSLVTPPBEJ-SECBINFHSA-N 0 3 251.282 1.314 40 0 CDABHN CC(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202184 358718917 /nfs/dbraw/zinc/71/89/17/358718917.db2.gz OEENMNRZLVWGHZ-OAHLLOKOSA-N 0 3 294.420 1.819 40 0 CDABHN COCCN1CCC[C@]12CCCN(c1nncs1)C2 ZINC000096203235 358719543 /nfs/dbraw/zinc/71/95/43/358719543.db2.gz VLCBRYUHASKOTF-ZDUSSCGKSA-N 0 3 282.413 1.619 40 0 CDABHN Cc1noc([C@]23COC[C@H]2CN(Cc2cccs2)C3)n1 ZINC000096206863 358720404 /nfs/dbraw/zinc/72/04/04/358720404.db2.gz GXAKPJFLLQJWRZ-BXUZGUMPSA-N 0 3 291.376 1.840 40 0 CDABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251815 358727405 /nfs/dbraw/zinc/72/74/05/358727405.db2.gz DVLZWPLMKDAPIO-CVEARBPZSA-N 0 3 258.365 1.881 40 0 CDABHN NC[C@@H]1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000222537232 359351914 /nfs/dbraw/zinc/35/19/14/359351914.db2.gz CGFUPRUYEAACNA-JTQLQIEISA-N 0 3 274.773 1.203 40 0 CDABHN NC[C@@H]1CCN(c2cccc3ccccc32)S1(=O)=O ZINC000222545426 359353274 /nfs/dbraw/zinc/35/32/74/359353274.db2.gz OKJMFAPYYFWCGT-LBPRGKRZSA-N 0 3 276.361 1.707 40 0 CDABHN O=C(c1ccc(F)cc1F)N1CCN2CCC[C@H]2C1 ZINC000027932292 359509205 /nfs/dbraw/zinc/50/92/05/359509205.db2.gz KSIOZKMXVGXATP-NSHDSACASA-N 0 3 266.291 1.885 40 0 CDABHN CC(C)CN1CC2(C1)CN(CC(C)C)C[C@@H]1C[C@@H](O)CN12 ZINC000514290058 360126221 /nfs/dbraw/zinc/12/62/21/360126221.db2.gz SCZWLYRQCAFKJC-JKSUJKDBSA-N 0 3 295.471 1.104 40 0 biogenic,in-vitro CDABHN COc1ccc(CCNCc2ccn(C)n2)cc1OC ZINC000002536462 372352148 /nfs/dbraw/zinc/35/21/48/372352148.db2.gz YDLXNRCMMWTFSP-UHFFFAOYSA-N 0 3 275.352 1.770 40 0 CDABHN CC[C@@H](O)CN(C)CCN1CCN(c2ccccc2)CC1 ZINC000075752831 374046197 /nfs/dbraw/zinc/04/61/97/374046197.db2.gz KHLDFHFFDNYEIX-QGZVFWFLSA-N 0 3 291.439 1.511 40 0 CDABHN CCC(CC)C(=O)NC[C@H](C)N1CCN(CC)CC1 ZINC000079050239 374765016 /nfs/dbraw/zinc/76/50/16/374765016.db2.gz ZRBAMIMVYYEBFQ-ZDUSSCGKSA-N 0 3 269.433 1.565 40 0 CDABHN Cc1ncc(-c2nccnc2C2CCN(C)CC2)n1C ZINC000257213183 190012975 /nfs/dbraw/zinc/01/29/75/190012975.db2.gz CGMBQJUQELXUFU-UHFFFAOYSA-N 0 3 271.368 1.995 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)Cc2ccc3ccccc3c2)C[C@H]1O ZINC000257218420 190014146 /nfs/dbraw/zinc/01/41/46/190014146.db2.gz DDBZPAPLCNUTLQ-IAGOWNOFSA-N 0 3 298.386 1.516 40 0 CDABHN Cc1nc[nH]c1CN1CCNC[C@@H]1c1ccccc1 ZINC000257251011 190020387 /nfs/dbraw/zinc/02/03/87/190020387.db2.gz JPAFUHPQEBEJJI-OAHLLOKOSA-N 0 3 256.353 1.865 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2ccnc(C)n2)cc1 ZINC000257256940 190021764 /nfs/dbraw/zinc/02/17/64/190021764.db2.gz KNLVFDWVNUQVCC-QGZVFWFLSA-N 0 3 298.390 1.940 40 0 CDABHN COC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001097 375774932 /nfs/dbraw/zinc/77/49/32/375774932.db2.gz ZYNPKUQUMYUHDL-RYUDHWBXSA-N 0 3 289.784 1.478 40 0 CDABHN Cn1nccc1-c1cncc(C2CCN(C)CC2)n1 ZINC000257299848 190029386 /nfs/dbraw/zinc/02/93/86/190029386.db2.gz RRWFFJUPJHLRIH-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN Cc1cncc([C@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257332985 190035491 /nfs/dbraw/zinc/03/54/91/190035491.db2.gz XZNZYVJBFYGIKR-LBPRGKRZSA-N 0 3 257.341 1.888 40 0 CDABHN CN(C)Cc1cc(CC2(NC3CCC3)COC2)no1 ZINC000067897791 377285577 /nfs/dbraw/zinc/28/55/77/377285577.db2.gz VAZRNEXQGMMWLC-UHFFFAOYSA-N 0 3 265.357 1.190 40 0 biogenic,in-vitro CDABHN CN1CCC[C@@](O)(CN2CCCc3ccccc32)C1 ZINC000040715100 378606511 /nfs/dbraw/zinc/60/65/11/378606511.db2.gz XHIKUFFARCIEDD-INIZCTEOSA-N 0 3 260.381 1.896 40 0 CDABHN C[C@H]1CNCc2cc3cc4c(cc3nc2O1)OCO4 ZINC000019497784 390228150 /nfs/dbraw/zinc/22/81/50/390228150.db2.gz WZGLAJNOWWAQKY-QMMMGPOBSA-N 0 3 258.277 1.834 40 0 CDABHN CN1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216357 390620956 /nfs/dbraw/zinc/62/09/56/390620956.db2.gz SWJQOOXJCRPJOU-AWEZNQCLSA-N 0 3 260.385 1.648 40 0 CDABHN CN1CCCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216357 390620960 /nfs/dbraw/zinc/62/09/60/390620960.db2.gz SWJQOOXJCRPJOU-AWEZNQCLSA-N 0 3 260.385 1.648 40 0 CDABHN CCn1ncc2c1[C@@H](COC)CN(CC1CCOCC1)C2 ZINC000096060166 390912433 /nfs/dbraw/zinc/91/24/33/390912433.db2.gz YBRPUZGRFWIHCW-OAHLLOKOSA-N 0 3 293.411 1.875 40 0 CDABHN Cc1cc(N)cc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)n1 ZINC000257335000 392978077 /nfs/dbraw/zinc/97/80/77/392978077.db2.gz YIGIMYIDCXJDDF-HNNXBMFYSA-N 0 3 299.378 1.957 40 0 CDABHN Cn1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000108222856 393013359 /nfs/dbraw/zinc/01/33/59/393013359.db2.gz NCAMOZYNKFWSLB-CVEARBPZSA-N 0 3 290.411 1.105 40 0 CDABHN CCN(CC)CCNCC(=O)N1CCc2ccccc21 ZINC000022586238 171393173 /nfs/dbraw/zinc/39/31/73/171393173.db2.gz WOHBCDZPLWCCEH-UHFFFAOYSA-N 0 3 275.396 1.507 40 0 CDABHN Brc1cccc(C[C@H]2CNCCO2)c1 ZINC000071577322 176205605 /nfs/dbraw/zinc/20/56/05/176205605.db2.gz JZSMLWHPLCJHPT-NSHDSACASA-N 0 3 256.143 1.980 40 0 CDABHN c1nc2sc3c(c2c(N2CCNCC2)n1)CCCC3 ZINC000003037890 275076957 /nfs/dbraw/zinc/07/69/57/275076957.db2.gz BSHUTAUVQRSTAN-UHFFFAOYSA-N 0 3 274.393 1.980 40 0 CDABHN Cc1cc(=O)[n-]c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000041601562 280301229 /nfs/dbraw/zinc/30/12/29/280301229.db2.gz FKNFZSDNDXUMBJ-UHFFFAOYSA-N 0 3 264.373 1.799 40 0 CDABHN C[C@@H]1CNCc2cc3cc4c(cc3nc2O1)OCO4 ZINC000019497783 288326798 /nfs/dbraw/zinc/32/67/98/288326798.db2.gz WZGLAJNOWWAQKY-MRVPVSSYSA-N 0 3 258.277 1.834 40 0 CDABHN CN(C)CCOCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004214578 289166543 /nfs/dbraw/zinc/16/65/43/289166543.db2.gz UXQDWARBDDDTKG-UHFFFAOYSA-N 0 3 280.412 1.650 40 0 in-man CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccnc2)N1 ZINC000022238413 295210730 /nfs/dbraw/zinc/21/07/30/295210730.db2.gz NEHAMUZNKPUGBN-LBPRGKRZSA-N 0 3 292.302 1.079 40 0 CDABHN CC(C)Nc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717657 333176087 /nfs/dbraw/zinc/17/60/87/333176087.db2.gz GSNOBTQKXMUBOT-UHFFFAOYSA-N 0 3 287.367 1.861 40 0 CDABHN Cn1cc(CN2CCC[C@@]3(CCC(=O)N3)CC2)cn1 ZINC000096047442 185072277 /nfs/dbraw/zinc/07/22/77/185072277.db2.gz GVHQKHFCAFRZRA-CQSZACIVSA-N 0 3 262.357 1.055 40 0 CDABHN CN(C)C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053842 185076724 /nfs/dbraw/zinc/07/67/24/185076724.db2.gz XEBIEWPGBGCTRB-STQMWFEESA-N 0 3 274.368 1.127 40 0 CDABHN CCn1cc2c(n1)[C@@H](COC)CN(CC1CCOCC1)C2 ZINC000096059897 185081840 /nfs/dbraw/zinc/08/18/40/185081840.db2.gz BUBIHSRLPNNBIV-OAHLLOKOSA-N 0 3 293.411 1.875 40 0 CDABHN C[C@H]1C[C@H]2CN(C(=O)C3CCN(C)CC3)CC[C@H]2O1 ZINC000096066480 185084578 /nfs/dbraw/zinc/08/45/78/185084578.db2.gz WNQOIJSVEOYFEM-FPMFFAJLSA-N 0 3 266.385 1.354 40 0 CDABHN COCC[C@@H]1CO[C@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073421 185088683 /nfs/dbraw/zinc/08/86/83/185088683.db2.gz CIRNHUGSLSPKBC-ZFWWWQNUSA-N 0 3 279.384 1.817 40 0 CDABHN CCn1cc(CN2CCC[C@]3(CCC(=O)N3C)CC2)cn1 ZINC000585100088 342211801 /nfs/dbraw/zinc/21/18/01/342211801.db2.gz FLDFSLNANWYHJE-INIZCTEOSA-N 0 3 290.411 1.880 40 0 CDABHN CN1C[C@H]2c3ccccc3[C@@H](NC(=O)C3CC(O)C3)[C@H]2C1 ZINC000585109723 342213230 /nfs/dbraw/zinc/21/32/30/342213230.db2.gz LSDMOINVPOPQBN-FETCWVNDSA-N 0 3 286.375 1.274 40 0 CDABHN Cc1cccc(OC[C@@]2(O)COCCN(C(C)C)C2)c1 ZINC000585269109 342254537 /nfs/dbraw/zinc/25/45/37/342254537.db2.gz KDIZVAKGTCESJY-INIZCTEOSA-N 0 3 279.380 1.846 40 0 CDABHN C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cccc2ccccc21 ZINC000585293889 342259994 /nfs/dbraw/zinc/25/99/94/342259994.db2.gz BNBVMPHPKJIAAF-RGXXSHLXSA-N 0 3 287.359 1.127 40 0 CDABHN CC[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H](C)N1 ZINC000620903859 350373709 /nfs/dbraw/zinc/37/37/09/350373709.db2.gz HJRMERBXYVYLMZ-DTWKUNHWSA-N 0 3 272.299 1.491 40 0 CDABHN COCCNCCNC(=O)c1cc(C)cc(C)c1 ZINC000152268431 188006326 /nfs/dbraw/zinc/00/63/26/188006326.db2.gz QWBNNFIPGKSTLC-UHFFFAOYSA-N 0 3 250.342 1.269 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409106 356992278 /nfs/dbraw/zinc/99/22/78/356992278.db2.gz ISTQEHSNHMVKSU-WDEREUQCSA-N 0 3 285.388 1.239 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCN(C(=O)CN)C1)C1CC1 ZINC000079409361 356992555 /nfs/dbraw/zinc/99/25/55/356992555.db2.gz BOBYVWJKUIZGBX-LLVKDONJSA-N 0 3 297.399 1.193 40 0 CDABHN CC(C)N(Cc1ccc(Br)nc1)C(=O)CN ZINC000079421523 356996744 /nfs/dbraw/zinc/99/67/44/356996744.db2.gz JPFOFMOIPNZUII-UHFFFAOYSA-N 0 3 286.173 1.540 40 0 CDABHN CC(C)N(Cc1ccnc(Br)c1)C(=O)CN ZINC000079421568 356996758 /nfs/dbraw/zinc/99/67/58/356996758.db2.gz HXZREFKSQROHLE-UHFFFAOYSA-N 0 3 286.173 1.540 40 0 CDABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2[C@H]1CCOC1 ZINC000096184590 358714054 /nfs/dbraw/zinc/71/40/54/358714054.db2.gz FVUCYKDGHVQXKR-UHTWSYAYSA-N 0 3 293.392 1.221 40 0 CDABHN Cc1cccc(CN2CCC3(CC2)OCC(=O)N[C@H]3C)n1 ZINC000096201482 358718569 /nfs/dbraw/zinc/71/85/69/358718569.db2.gz XNTSWPSPSMLPGF-ZDUSSCGKSA-N 0 3 289.379 1.260 40 0 CDABHN CC(C)N1CCC[C@@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214930 358721125 /nfs/dbraw/zinc/72/11/25/358721125.db2.gz YTQOWJYDRYCGST-GFCCVEGCSA-N 0 3 260.403 1.285 40 0 CDABHN Cc1cccc(CN2CC[C@@]3(C[C@@H]3C(=O)N(C)C)C2)n1 ZINC000096228627 358724249 /nfs/dbraw/zinc/72/42/49/358724249.db2.gz SYWZZOGEMGYICF-GDBMZVCRSA-N 0 3 273.380 1.690 40 0 CDABHN Cc1ncnc2c1CCN(Cc1cccnc1)CC2 ZINC000096254958 358728034 /nfs/dbraw/zinc/72/80/34/358728034.db2.gz YNRBLBIZVNLHTH-UHFFFAOYSA-N 0 3 254.337 1.781 40 0 CDABHN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CSCCN2 ZINC000096950749 358742088 /nfs/dbraw/zinc/74/20/88/358742088.db2.gz AZTNWANRFKZKKM-GFCCVEGCSA-N 0 3 258.387 1.702 40 0 CDABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC2COC2)CC1 ZINC000100554508 358831545 /nfs/dbraw/zinc/83/15/45/358831545.db2.gz BOTMINKNJFEMCS-PHIMTYICSA-N 0 3 270.373 1.811 40 0 CDABHN Cc1ccc(N2CC[C@@H](CN)S2(=O)=O)c(C)c1 ZINC000222540342 359352678 /nfs/dbraw/zinc/35/26/78/359352678.db2.gz JEXCSOUHLBVDDG-NSHDSACASA-N 0 3 254.355 1.171 40 0 CDABHN NC[C@H]1CCN(c2ccc(Cl)cc2)S1(=O)=O ZINC000222543496 359353316 /nfs/dbraw/zinc/35/33/16/359353316.db2.gz DWDWWRYQUYPEGJ-SNVBAGLBSA-N 0 3 260.746 1.207 40 0 CDABHN Cc1cc(CNC[C@@H](O)c2ccco2)ccc1-n1cncn1 ZINC000080189008 374872322 /nfs/dbraw/zinc/87/23/22/374872322.db2.gz UMDNUKQIXOBRBE-OAHLLOKOSA-N 0 3 298.346 1.992 40 0 CDABHN CCCn1nc(C)cc1CNCCN1CCOCC1 ZINC000256053866 190004651 /nfs/dbraw/zinc/00/46/51/190004651.db2.gz TYGTVGFVLXOEOS-UHFFFAOYSA-N 0 3 266.389 1.023 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257207959 190012010 /nfs/dbraw/zinc/01/20/10/190012010.db2.gz BKBRXZHZNGLLDB-INIZCTEOSA-N 0 3 294.370 1.283 40 0 CDABHN CNCC(=O)N1CCC(C)(c2ncc(C)s2)CC1 ZINC000257224353 190015610 /nfs/dbraw/zinc/01/56/10/190015610.db2.gz FBLWXHJEIMSDMH-UHFFFAOYSA-N 0 3 267.398 1.551 40 0 CDABHN C[C@]1(O)CN(CCO)CC[C@@H]1Oc1cccc(F)c1 ZINC000257233623 190017014 /nfs/dbraw/zinc/01/70/14/190017014.db2.gz GQACYCORNISSSC-KBPBESRZSA-N 0 3 269.316 1.022 40 0 CDABHN [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][n-]1 ZINC000257305961 190031357 /nfs/dbraw/zinc/03/13/57/190031357.db2.gz SSGHRKQLAJRJPS-HIFRSBDPSA-N 0 3 286.379 1.095 40 0 CDABHN NCC(=O)NCCc1nc(-c2ccccc2Cl)no1 ZINC000072220504 256707796 /nfs/dbraw/zinc/70/77/96/256707796.db2.gz SECOXTUOHUALMS-UHFFFAOYSA-N 0 3 280.715 1.007 40 0 CDABHN CC(C)Oc1nc(N2CCNCC2)nc2c1CCC2 ZINC000001587087 390140095 /nfs/dbraw/zinc/14/00/95/390140095.db2.gz JYDFRVILGNWNAF-UHFFFAOYSA-N 0 3 262.357 1.162 40 0 CDABHN O[C@H]1CC=C2CCN3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734931 285361392 /nfs/dbraw/zinc/36/13/92/285361392.db2.gz XKYSLILSDJBMCU-MAZHCROVSA-N 0 3 271.316 1.778 40 0 CDABHN Cc1nc(N2CCCC2)nc2c1CN(CCN(C)C)CC2 ZINC000096083688 390912654 /nfs/dbraw/zinc/91/26/54/390912654.db2.gz IGCNYLHPJRLTRR-UHFFFAOYSA-N 0 3 289.427 1.305 40 0 CDABHN Cc1cnc(N2CCC3(C[C@H](N(C)C)CO3)CC2)nc1 ZINC000096158619 390913268 /nfs/dbraw/zinc/91/32/68/390913268.db2.gz FMYUIHQLPBCGHT-ZDUSSCGKSA-N 0 3 276.384 1.475 40 0 CDABHN O=C(c1ccc(F)cc1)N1CCC2(CC1)CNCCO2 ZINC000096157232 390913272 /nfs/dbraw/zinc/91/32/72/390913272.db2.gz DUUABCFYAHCACG-UHFFFAOYSA-N 0 3 278.327 1.420 40 0 CDABHN Cn1nc(C(=O)N2CCCN(CC3CC3)CC2)cc1Cl ZINC000072254254 176350338 /nfs/dbraw/zinc/35/03/38/176350338.db2.gz JBYDIOUVJHFTLY-UHFFFAOYSA-N 0 3 296.802 1.631 40 0 CDABHN Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCCN(C)C2)n1 ZINC000072366409 176381196 /nfs/dbraw/zinc/38/11/96/176381196.db2.gz BJOUBLLRPHBSPO-CYBMUJFWSA-N 0 3 290.411 1.615 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397630 176395138 /nfs/dbraw/zinc/39/51/38/176395138.db2.gz NATSZFVMWUSTQR-MRVWCRGKSA-N 0 3 264.344 1.465 40 0 CDABHN CC(=O)N(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C1CC1 ZINC000079418111 276951280 /nfs/dbraw/zinc/95/12/80/276951280.db2.gz IAYOPOCIUJYPMQ-ZFWWWQNUSA-N 0 3 295.427 1.219 40 0 CDABHN CN(C)CCN(C)Cc1ccnc([C@H]2CCCO2)n1 ZINC000257258676 289133016 /nfs/dbraw/zinc/13/30/16/289133016.db2.gz KVBOZRUCQAJKDI-CYBMUJFWSA-N 0 3 264.373 1.322 40 0 CDABHN CN1CCC(N(Cc2ccco2)C(=O)CC(N)=O)CC1 ZINC000330942376 289881652 /nfs/dbraw/zinc/88/16/52/289881652.db2.gz CVPPMVKOKLTMKR-UHFFFAOYSA-N 0 3 279.340 1.628 40 0 CDABHN Cc1cc(N2CCNC[C@@H]2c2ccccc2)ncn1 ZINC000257275628 301339194 /nfs/dbraw/zinc/33/91/94/301339194.db2.gz NQEGNYJSRJWIPY-CQSZACIVSA-N 0 3 254.337 1.936 40 0 CDABHN Cc1cc(F)ccc1C(=O)N1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107946 185099193 /nfs/dbraw/zinc/09/91/93/185099193.db2.gz XSKONUMQJQIDGX-SWLSCSKDSA-N 0 3 292.354 1.537 40 0 CDABHN COc1ccc(C[C@@H](N)C(=O)N2CCCCC2)cc1 ZINC000001594224 355941278 /nfs/dbraw/zinc/94/12/78/355941278.db2.gz UWBDQJUQAWOIBO-CQSZACIVSA-N 0 3 262.353 1.578 40 0 CDABHN NNc1nnc(Cc2ccncc2)c2ccccc21 ZINC000000001943 355879371 /nfs/dbraw/zinc/87/93/71/355879371.db2.gz KCASCYQNVLPVDP-UHFFFAOYSA-N 0 3 251.293 1.901 40 0 in-man CDABHN CC(C)(C)OC(=O)[C@H](O)[C@@H](N)Cc1ccccc1 ZINC000002569682 355974792 /nfs/dbraw/zinc/97/47/92/355974792.db2.gz ITPFEPDHSLWUED-NWDGAFQWSA-N 0 3 251.326 1.259 40 0 CDABHN CC(C)(C)C(=O)C1[C@@H](C(=O)C(C)(C)C)S1(=O)=O ZINC000001734824 355950402 /nfs/dbraw/zinc/95/04/02/355950402.db2.gz WQCBCSWKGRQVKH-YUMQZZPRSA-N 0 3 260.355 1.382 40 0 CDABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391371 356988670 /nfs/dbraw/zinc/98/86/70/356988670.db2.gz WURSQUVCHDYVQL-RYUDHWBXSA-N 0 3 299.415 1.343 40 0 CDABHN CC(=O)N(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(C)C ZINC000079418055 356994600 /nfs/dbraw/zinc/99/46/00/356994600.db2.gz HPOQILBCDIDLIW-CABCVRRESA-N 0 3 297.443 1.465 40 0 CDABHN CC(=O)N(C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000079418008 356995757 /nfs/dbraw/zinc/99/57/57/356995757.db2.gz DWQFQTUMDQLXBQ-UONOGXRCSA-N 0 3 297.443 1.608 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1F ZINC000072397566 357832944 /nfs/dbraw/zinc/83/29/44/357832944.db2.gz NATSZFVMWUSTQR-IACUBPJLSA-N 0 3 264.344 1.465 40 0 CDABHN COc1cccc(-c2nsc(N3CCNCC3)n2)c1 ZINC000206349399 358405705 /nfs/dbraw/zinc/40/57/05/358405705.db2.gz CPTBPSZNMYIMFY-UHFFFAOYSA-N 0 3 276.365 1.623 40 0 CDABHN CN(C)[C@@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@H]12 ZINC000096185756 358714106 /nfs/dbraw/zinc/71/41/06/358714106.db2.gz UUXQQYBSVQSUDO-KFWWJZLASA-N 0 3 261.369 1.375 40 0 CDABHN CCc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)o1 ZINC000096199312 358717412 /nfs/dbraw/zinc/71/74/12/358717412.db2.gz KXKUWKNXLOMRRQ-LBPRGKRZSA-N 0 3 290.367 1.678 40 0 CDABHN Cc1cc(CN2CCC3(CC2)CNC(=O)CO3)oc1C ZINC000096201339 358718518 /nfs/dbraw/zinc/71/85/18/358718518.db2.gz SMXHJEHMSZZFEH-UHFFFAOYSA-N 0 3 278.352 1.377 40 0 CDABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@@H]2C1 ZINC000096251816 358727323 /nfs/dbraw/zinc/72/73/23/358727323.db2.gz DVLZWPLMKDAPIO-HZPDHXFCSA-N 0 3 258.365 1.881 40 0 CDABHN NC[C@H]1CCN(c2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222545657 189731560 /nfs/dbraw/zinc/73/15/60/189731560.db2.gz PRQOOQSBEVISAS-SNVBAGLBSA-N 0 3 294.298 1.573 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(CCO)C1 ZINC000079407957 284193424 /nfs/dbraw/zinc/19/34/24/284193424.db2.gz ZRDOOJASGDMATQ-LLVKDONJSA-N 0 3 258.362 1.310 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577701 371920100 /nfs/dbraw/zinc/92/01/00/371920100.db2.gz IDPHKBPTFHOWIN-CYBMUJFWSA-N 0 3 281.400 1.036 40 0 CDABHN O=C(CNC[C@@H]1CCCO1)Nc1ccc2c(c1)CCO2 ZINC000237913801 189893568 /nfs/dbraw/zinc/89/35/68/189893568.db2.gz KLFBIQQVQAAAMN-ZDUSSCGKSA-N 0 3 276.336 1.329 40 0 CDABHN OC[C@@H]1C[C@@H](O)CN1CCOc1ccc(Cl)c(F)c1 ZINC000225400293 374286974 /nfs/dbraw/zinc/28/69/74/374286974.db2.gz ZGRRBGYRSBKYBW-VHSXEESVSA-N 0 3 289.734 1.285 40 0 CDABHN N[C@H]1COC[C@@H]1Oc1ccc(Br)cc1 ZINC000117371586 374539628 /nfs/dbraw/zinc/53/96/28/374539628.db2.gz GRTOEAAOPRPWSN-UWVGGRQHSA-N 0 3 258.115 1.554 40 0 CDABHN COC(=O)CCC(C)(C)NC(=O)CN(C)C(C)C ZINC000079310522 374789897 /nfs/dbraw/zinc/78/98/97/374789897.db2.gz AABCJZASIVFJIA-UHFFFAOYSA-N 0 3 258.362 1.175 40 0 CDABHN CCN(CC)CCNCc1cnn(CC(F)F)c1C ZINC000256050492 190003188 /nfs/dbraw/zinc/00/31/88/190003188.db2.gz FFMNCZJSAZYLLI-UHFFFAOYSA-N 0 3 274.359 1.888 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cc3cccc(F)c3[nH]2)C[C@H]1O ZINC000257328937 190035097 /nfs/dbraw/zinc/03/50/97/190035097.db2.gz XHRXXVIEVSIRKC-CHWSQXEVSA-N 0 3 291.326 1.054 40 0 CDABHN Cc1nn(C)c(C(=O)N2CCN3CCC[C@@H]3C2)c1Cl ZINC000002761690 378053858 /nfs/dbraw/zinc/05/38/58/378053858.db2.gz IZVRCMVOADLQRE-SNVBAGLBSA-N 0 3 282.775 1.302 40 0 CDABHN CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)CN ZINC000079421460 390422300 /nfs/dbraw/zinc/42/23/00/390422300.db2.gz XCHNIOGAEZKVBC-NSHDSACASA-N 0 3 264.325 1.022 40 0 CDABHN CCCCCC(=O)N[C@@H]1CO[C@@H](CN(CC)CC)[C@@H]1O ZINC000514288442 390882386 /nfs/dbraw/zinc/88/23/86/390882386.db2.gz FQGQWJCNHUNBTI-VNHYZAJKSA-N 0 3 286.416 1.153 40 0 biogenic,in-vitro CDABHN CO[C@@H]1CCCC[C@@H](NC(=O)CN(C)C2CCCC2)[C@H]1O ZINC000257338711 391650149 /nfs/dbraw/zinc/65/01/49/391650149.db2.gz YYPQRPPULBDEIS-IIAWOOMASA-N 0 3 298.427 1.296 40 0 CDABHN Cc1c(Cl)c(C(=O)N2CCN[C@@H](C)[C@H]2C)nn1C ZINC000335042610 150219557 /nfs/dbraw/zinc/21/95/57/150219557.db2.gz DINNVLZDBPGFMR-JGVFFNPUSA-N 0 3 270.764 1.204 40 0 CDABHN CCOC(=O)c1sc(N2CCNCC2)nc1C ZINC000021986861 171345514 /nfs/dbraw/zinc/34/55/14/171345514.db2.gz XSMMBQLRRVVHPE-UHFFFAOYSA-N 0 3 255.343 1.038 40 0 CDABHN Cn1cc(CN2CCC[C@@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364285 176379397 /nfs/dbraw/zinc/37/93/97/176379397.db2.gz JYTCRLPQZJNMRE-CQSZACIVSA-N 0 3 259.357 1.697 40 0 CDABHN CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000072397572 176395029 /nfs/dbraw/zinc/39/50/29/176395029.db2.gz YHFBDIDDXVRNDG-CWRNSKLLSA-N 0 3 290.407 1.725 40 0 CDABHN COc1ccccc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072397634 176395218 /nfs/dbraw/zinc/39/52/18/176395218.db2.gz MIZZOWWECZFPJS-BPLDGKMQSA-N 0 3 276.380 1.335 40 0 CDABHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1CCO ZINC000079407835 277200436 /nfs/dbraw/zinc/20/04/36/277200436.db2.gz YKHCEYSZRUBHOJ-LLVKDONJSA-N 0 3 258.362 1.358 40 0 CDABHN Cc1cc(N)nc([C@]2(C)CCCN2C2CCOCC2)n1 ZINC000257203915 301330503 /nfs/dbraw/zinc/33/05/03/301330503.db2.gz ASEORVPFFWZQAR-HNNXBMFYSA-N 0 3 276.384 1.857 40 0 CDABHN Cc1ccc(Cl)cc1N1CC[C@H](CN)S1(=O)=O ZINC000260775017 328068950 /nfs/dbraw/zinc/06/89/50/328068950.db2.gz OTJZECXNUBUQAK-SNVBAGLBSA-N 0 3 274.773 1.516 40 0 CDABHN CCCNc1ncc(CNCCCCCO)cn1 ZINC000062717725 333176028 /nfs/dbraw/zinc/17/60/28/333176028.db2.gz PFFJNMGYJXRFKL-UHFFFAOYSA-N 0 3 252.362 1.551 40 0 CDABHN O=C(c1ccoc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053811 185076754 /nfs/dbraw/zinc/07/67/54/185076754.db2.gz BVBUTKPZTQQPTJ-GJZGRUSLSA-N 0 3 297.358 1.879 40 0 CDABHN CN(C)[C@@H]1CN(Cc2ccoc2)[C@@H]2CCCO[C@H]12 ZINC000096056316 185077471 /nfs/dbraw/zinc/07/74/71/185077471.db2.gz WEBKCJUPQZCEJY-MCIONIFRSA-N 0 3 250.342 1.573 40 0 CDABHN O[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061600 185083186 /nfs/dbraw/zinc/08/31/86/185083186.db2.gz MTHAFHRGVFJDJV-LSDHHAIUSA-N 0 3 258.321 1.853 40 0 CDABHN Cc1cccc(C(=O)N2Cc3ccnn3[C@H](CN(C)C)C2)c1 ZINC000585095192 342211440 /nfs/dbraw/zinc/21/14/40/342211440.db2.gz JORQDDGEDDILMR-MRXNPFEDSA-N 0 3 298.390 1.950 40 0 CDABHN CC1(C)CN(C[C@H](O)Cn2cccn2)[C@H]1[C@H]1CCCO1 ZINC000329856620 362073811 /nfs/dbraw/zinc/07/38/11/362073811.db2.gz UWQIHDXGDOXTNC-MJBXVCDLSA-N 0 3 279.384 1.133 40 0 CDABHN CN1Cc2cccn2C[C@@H](C(=O)NCCc2ccncc2)C1 ZINC000248130482 362153022 /nfs/dbraw/zinc/15/30/22/362153022.db2.gz MZWASYCIULFPQA-HNNXBMFYSA-N 0 3 298.390 1.304 40 0 CDABHN c1ccc(CN2CCN(C3CCOCC3)CC2)cc1 ZINC000144252390 342435404 /nfs/dbraw/zinc/43/54/04/342435404.db2.gz ZVAUGYUBSPDHSG-UHFFFAOYSA-N 0 3 260.381 1.983 40 0 CDABHN Cc1nn(C)cc1CN1CCC2(CCCNC2=O)CC1 ZINC000108530553 186221698 /nfs/dbraw/zinc/22/16/98/186221698.db2.gz BFEMPWOJTYJCOI-UHFFFAOYSA-N 0 3 276.384 1.221 40 0 CDABHN CC(C)N1CCO[C@@H](CN2CCN(CC3CC3)CC2)C1 ZINC000156170868 188246770 /nfs/dbraw/zinc/24/67/70/188246770.db2.gz SOKBCLLBRVHMEP-INIZCTEOSA-N 0 3 281.444 1.123 40 0 CDABHN Cc1ncc(NC(=O)C2CN(C3CCCCC3)C2)cn1 ZINC000333963489 363278968 /nfs/dbraw/zinc/27/89/68/363278968.db2.gz NYQIRLFQHYFTJF-UHFFFAOYSA-N 0 3 274.368 1.988 40 0 CDABHN CN1CCC(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)CC1 ZINC000004197188 356021859 /nfs/dbraw/zinc/02/18/59/356021859.db2.gz AYCGEVZSNNICMM-CVEARBPZSA-N 0 3 295.379 1.746 40 0 CDABHN CCn1cc2c(n1)nc(N1CCNCC1)cc2C(F)F ZINC000012398902 356297716 /nfs/dbraw/zinc/29/77/16/356297716.db2.gz NVXNAUYZMAUKSB-UHFFFAOYSA-N 0 3 281.310 1.798 40 0 CDABHN Cc1c(CN2CC[C@@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747834 356498888 /nfs/dbraw/zinc/49/88/88/356498888.db2.gz CMSNPIJHMGFNMH-CYBMUJFWSA-N 0 3 290.411 1.609 40 0 CDABHN CN1C[C@@H]2CN(C(=O)C3CCCC3)CCN2C(C)(C)C1 ZINC000253399627 283206936 /nfs/dbraw/zinc/20/69/36/283206936.db2.gz JSMWQHQBSYRBSU-CQSZACIVSA-N 0 3 279.428 1.413 40 0 biogenic,in-vitro CDABHN COC(=O)c1cc(Br)ccc1N1CCNCC1 ZINC000039951712 356979270 /nfs/dbraw/zinc/97/92/70/356979270.db2.gz JPQUBBLGXRBIFA-UHFFFAOYSA-N 0 3 299.168 1.645 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391243 356988500 /nfs/dbraw/zinc/98/85/00/356988500.db2.gz YKBMEICFWDODBH-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391366 356988505 /nfs/dbraw/zinc/98/85/05/356988505.db2.gz CWYVJAJQHXDZLC-RYUDHWBXSA-N 0 3 299.415 1.485 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404398 356990646 /nfs/dbraw/zinc/99/06/46/356990646.db2.gz KHQLSUOAUCYAAW-JSGCOSHPSA-N 0 3 261.369 1.067 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1nccnc1Cl)C1CC1 ZINC000079435788 356996584 /nfs/dbraw/zinc/99/65/84/356996584.db2.gz JJEGVDHZMKAZDT-NSHDSACASA-N 0 3 282.775 1.604 40 0 CDABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccccn2)cn1 ZINC000096184599 358713886 /nfs/dbraw/zinc/71/38/86/358713886.db2.gz LHOXUAMSPGNSRW-DLBZAZTESA-N 0 3 297.406 1.664 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 ZINC000096184378 358714362 /nfs/dbraw/zinc/71/43/62/358714362.db2.gz CXHNJGLNPLPXCL-KGLIPLIRSA-N 0 3 277.368 1.016 40 0 CDABHN O=C(c1ccoc1)N1CCC2(CN(C[C@@H]3CCOC3)C2)C1 ZINC000096202697 358719421 /nfs/dbraw/zinc/71/94/21/358719421.db2.gz MEUWNXYPHHVVBH-ZDUSSCGKSA-N 0 3 290.363 1.464 40 0 CDABHN CCc1cnc(N2CCO[C@@H]3CN(C)CC[C@@H]3C2)nc1 ZINC000096249778 358726333 /nfs/dbraw/zinc/72/63/33/358726333.db2.gz ATFVEFSCQMAUCX-ZIAGYGMSSA-N 0 3 276.384 1.196 40 0 CDABHN CN1CCN(CCc2ccc3cccc(O)c3n2)CC1 ZINC000059474698 359819167 /nfs/dbraw/zinc/81/91/67/359819167.db2.gz KSTJAFTZAFEWFL-UHFFFAOYSA-N 0 3 271.364 1.730 40 0 CDABHN C[C@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@@]12NC(=O)[N-]C2=O ZINC000001093922 291291421 /nfs/dbraw/zinc/29/14/21/291291421.db2.gz FQTIIVLASVNVSP-ITDIGPHOSA-N 0 3 273.336 1.278 40 0 CDABHN C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)CC[C@@]12NC(=O)[N-]C2=O ZINC000001093922 291291423 /nfs/dbraw/zinc/29/14/23/291291423.db2.gz FQTIIVLASVNVSP-ITDIGPHOSA-N 0 3 273.336 1.278 40 0 CDABHN c1nn(CC2CC2)c2c1[C@@H](COCC1CC1)CNC2 ZINC000306140395 367315335 /nfs/dbraw/zinc/31/53/35/367315335.db2.gz USGBWJOAJQBGJI-CYBMUJFWSA-N 0 3 261.369 1.907 40 0 CDABHN Cc1cc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)on1 ZINC000132453898 375497369 /nfs/dbraw/zinc/49/73/69/375497369.db2.gz VSDWUIKCKVLGRK-SNVBAGLBSA-N 0 3 281.356 1.857 40 0 CDABHN CCCn1cc(CNCCCN2CCOCC2)c(C)n1 ZINC000256055129 190005501 /nfs/dbraw/zinc/00/55/01/190005501.db2.gz ZICXHPPGUOVGEB-UHFFFAOYSA-N 0 3 280.416 1.413 40 0 CDABHN OC1(CN2CCC[C@H]2c2cnccn2)CCOCC1 ZINC000257228974 190015877 /nfs/dbraw/zinc/01/58/77/190015877.db2.gz FWBFTIPMFVBXEK-ZDUSSCGKSA-N 0 3 263.341 1.155 40 0 CDABHN c1cnc([N-]c2cnc(CC3CC[NH2+]CC3)cn2)nc1 ZINC000257247999 190019976 /nfs/dbraw/zinc/01/99/76/190019976.db2.gz JBPQQHQHISLLIU-UHFFFAOYSA-N 0 3 270.340 1.552 40 0 CDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccccc2)[C@@]1(CN)COC ZINC000218025509 375778755 /nfs/dbraw/zinc/77/87/55/375778755.db2.gz CPXWCVFFZLXJNZ-HZSPNIEDSA-N 0 3 283.393 1.179 40 0 CDABHN CCCCc1ncc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)[nH]1 ZINC000257274787 190024894 /nfs/dbraw/zinc/02/48/94/190024894.db2.gz NMQYMFXIEMGBLC-HOCLYGCPSA-N 0 3 293.411 1.868 40 0 CDABHN Cc1ncc(-c2cncc([C@H]3CCCN(C)C3)n2)n1C ZINC000257333736 190035593 /nfs/dbraw/zinc/03/55/93/190035593.db2.gz YCVXFMQDWLVGNP-LBPRGKRZSA-N 0 3 271.368 1.995 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000108350270 412999581 /nfs/dbraw/zinc/99/95/81/412999581.db2.gz RDVDUFLJQMMCNS-TYNCELHUSA-N 0 3 276.380 1.731 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409599 390421431 /nfs/dbraw/zinc/42/14/31/390421431.db2.gz BNBNISXUSQPGGJ-NWDGAFQWSA-N 0 3 299.415 1.439 40 0 CDABHN NC[C@H](c1cncc(Br)c1)N1CCOCC1 ZINC000096511146 390531071 /nfs/dbraw/zinc/53/10/71/390531071.db2.gz MHSVBWJLRDAKEP-LLVKDONJSA-N 0 3 286.173 1.176 40 0 CDABHN CC(=O)N1CCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216335 390621049 /nfs/dbraw/zinc/62/10/49/390621049.db2.gz GNRWUJNIDAMXAH-CQSZACIVSA-N 0 3 274.368 1.175 40 0 CDABHN CCOc1ccc(C(=O)NCCN(C)C)cc1C ZINC000074949157 390662821 /nfs/dbraw/zinc/66/28/21/390662821.db2.gz GVMZIFQMXKNWAF-UHFFFAOYSA-N 0 3 250.342 1.685 40 0 CDABHN CC(=O)N1CCNC[C@H](COCc2ccccc2)C1 ZINC000072343394 176371352 /nfs/dbraw/zinc/37/13/52/176371352.db2.gz BCPRJFOSKFRXHM-HNNXBMFYSA-N 0 3 262.353 1.271 40 0 CDABHN Cc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)o1 ZINC000072397629 176395235 /nfs/dbraw/zinc/39/52/35/176395235.db2.gz LCVHXNSVPJGZNT-RAIGVLPGSA-N 0 3 250.342 1.227 40 0 CDABHN CNc1ncc(CNCCNc2nc(C)cc(C)n2)cn1 ZINC000062717900 262301806 /nfs/dbraw/zinc/30/18/06/262301806.db2.gz UQAYPDYAEXXYBN-UHFFFAOYSA-N 0 3 287.371 1.127 40 0 CDABHN CCOC[C@@H]1CN(CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059850 276331335 /nfs/dbraw/zinc/33/13/35/276331335.db2.gz QGGFIDAZRLJOGX-HNNXBMFYSA-N 0 3 293.411 1.782 40 0 CDABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000040468059 277248665 /nfs/dbraw/zinc/24/86/65/277248665.db2.gz KIEBJMGMGMYFHN-SDDRHHMPSA-N 0 3 254.374 1.530 40 0 CDABHN O=C1C[C@@H](c2ccccc2)NCCCCN(O)CCCN1 ZINC000005554718 280270068 /nfs/dbraw/zinc/27/00/68/280270068.db2.gz QGMXLNCOBCGXMO-HNNXBMFYSA-N 0 3 291.395 1.699 40 0 CDABHN COCCN1CCC(Nc2cncc(OC(C)C)n2)CC1 ZINC000548117611 289845558 /nfs/dbraw/zinc/84/55/58/289845558.db2.gz YUKJCWJRBNILSF-UHFFFAOYSA-N 0 3 294.399 1.787 40 0 CDABHN C[C@H](N)C(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391238 298944055 /nfs/dbraw/zinc/94/40/55/298944055.db2.gz OQXDVNIZXIIZRP-UNXYVOJBSA-N 0 3 299.415 1.628 40 0 CDABHN Cc1noc(C2(C)CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000257245245 327128531 /nfs/dbraw/zinc/12/85/31/327128531.db2.gz IORDLQHJOPYRED-NEPJUHHUSA-N 0 3 265.357 1.645 40 0 CDABHN CNC(=O)[C@H]1CN(C(C)C)CCN1CCc1ccccc1 ZINC000248000174 334293336 /nfs/dbraw/zinc/29/33/36/334293336.db2.gz NRWONRPQMIBPKN-MRXNPFEDSA-N 0 3 289.423 1.370 40 0 CDABHN CC(C)CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019446558 517410040 /nfs/dbraw/zinc/41/00/40/517410040.db2.gz BVBMJGHXVQXAEE-AWEZNQCLSA-N 0 3 288.395 1.832 40 0 CDABHN CCN1CC(=O)NC[C@@]12CCN(Cc1ccsc1)C2 ZINC000096050495 185073976 /nfs/dbraw/zinc/07/39/76/185073976.db2.gz GPNUFMCRUJBHIQ-CQSZACIVSA-N 0 3 279.409 1.144 40 0 CDABHN CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096055560 185076064 /nfs/dbraw/zinc/07/60/64/185076064.db2.gz WSVYVEROGHUVEE-UPJWGTAASA-N 0 3 280.393 1.568 40 0 CDABHN Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)o1 ZINC000096053990 185076661 /nfs/dbraw/zinc/07/66/61/185076661.db2.gz UXVKNOXADYTQTN-ZIAGYGMSSA-N 0 3 284.363 1.946 40 0 CDABHN Cn1cc2c(n1)[C@@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059685 185080330 /nfs/dbraw/zinc/08/03/30/185080330.db2.gz HRISJGUHCDCJDH-CQSZACIVSA-N 0 3 275.327 1.963 40 0 CDABHN CN1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096065649 185084004 /nfs/dbraw/zinc/08/40/04/185084004.db2.gz PGJKENAKBWNLBO-IACUBPJLSA-N 0 3 294.420 1.516 40 0 CDABHN CO[C@]1(COc2ccc(F)cc2)CCCN(C(=O)CN)C1 ZINC000585275048 342256013 /nfs/dbraw/zinc/25/60/13/342256013.db2.gz UXDSNBVZHWEQNK-OAHLLOKOSA-N 0 3 296.342 1.171 40 0 CDABHN CNC(=O)C[C@@]1(CO)CCCN1Cc1cc(C(C)C)no1 ZINC000585278394 342257018 /nfs/dbraw/zinc/25/70/18/342257018.db2.gz SLILKHQMVWIRSL-OAHLLOKOSA-N 0 3 295.383 1.261 40 0 CDABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cnn(C)c1)C2 ZINC000108535046 186222155 /nfs/dbraw/zinc/22/21/55/186222155.db2.gz WWXJGNFSFMFEPB-HIFRSBDPSA-N 0 3 276.384 1.158 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cncn1C)C2 ZINC000108535804 186222314 /nfs/dbraw/zinc/22/23/14/186222314.db2.gz RBLNWRQCEDSKPF-ZFWWWQNUSA-N 0 3 276.384 1.158 40 0 CDABHN COC[C@@H](O)CN1CCN(c2ccccc2)[C@H](C)C1 ZINC000004823231 356044300 /nfs/dbraw/zinc/04/43/00/356044300.db2.gz XWZVOCAEMFSLBH-HIFRSBDPSA-N 0 3 264.369 1.204 40 0 CDABHN COC(=O)c1ccc([C@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000019796197 356504748 /nfs/dbraw/zinc/50/47/48/356504748.db2.gz WSCKSSOLXHEIAS-GFCCVEGCSA-N 0 3 294.351 1.998 40 0 CDABHN COC(=O)c1ccccc1[C@@H](N)CNC(=O)OC(C)(C)C ZINC000019796154 356504858 /nfs/dbraw/zinc/50/48/58/356504858.db2.gz YYWZIYAHKREOHX-LBPRGKRZSA-N 0 3 294.351 1.998 40 0 CDABHN C[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409542 356992788 /nfs/dbraw/zinc/99/27/88/356992788.db2.gz VERLQVKBUXONRE-WDEREUQCSA-N 0 3 285.388 1.049 40 0 CDABHN CN(C)CCSN1C(=O)c2ccccc2C1=O ZINC000228971425 358105865 /nfs/dbraw/zinc/10/58/65/358105865.db2.gz FXKVLDYVWPFOOY-UHFFFAOYSA-N 0 3 250.323 1.492 40 0 CDABHN CC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177642 358642401 /nfs/dbraw/zinc/64/24/01/358642401.db2.gz GUXKDOBCLBMDOV-GUTXKFCHSA-N 0 3 295.427 1.408 40 0 CDABHN CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096186954 358715198 /nfs/dbraw/zinc/71/51/98/358715198.db2.gz TXGBUXVFABUKEA-UPJWGTAASA-N 0 3 280.393 1.616 40 0 CDABHN CO[C@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200476 358718010 /nfs/dbraw/zinc/71/80/10/358718010.db2.gz LTANSOPCPJFPBJ-HOTGVXAUSA-N 0 3 286.379 1.647 40 0 CDABHN CN1CCC2(CCOC[C@H]2NC(=O)c2ccccc2)CC1 ZINC000096215963 358721373 /nfs/dbraw/zinc/72/13/73/358721373.db2.gz TXXVCQLWKNXYFA-OAHLLOKOSA-N 0 3 288.391 1.917 40 0 CDABHN COCCNCCNC(=O)c1ccc(Cl)c(C)c1 ZINC000135630904 359787746 /nfs/dbraw/zinc/78/77/46/359787746.db2.gz NOWYVCNJEWHDHS-UHFFFAOYSA-N 0 3 270.760 1.614 40 0 CDABHN COCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 ZINC000075415240 373058488 /nfs/dbraw/zinc/05/84/88/373058488.db2.gz HTXLEBGCQUPNLT-UHFFFAOYSA-N 0 3 292.379 1.271 40 0 CDABHN Cc1ncc(-c2cc(C)nc([C@@H]3CCCN3)n2)n1C ZINC000257201090 190010638 /nfs/dbraw/zinc/01/06/38/190010638.db2.gz AGFWGGFGOJVQHH-NSHDSACASA-N 0 3 257.341 1.918 40 0 CDABHN CNC(=O)C1(CCCc2ccccn2)CCN(C)CC1 ZINC000257244775 190019203 /nfs/dbraw/zinc/01/92/03/190019203.db2.gz IMRWEGBREMTSJX-UHFFFAOYSA-N 0 3 275.396 1.862 40 0 CDABHN Cc1c[nH]c([C@@H]2CCCN2C(=O)C2(N)CCCC2)n1 ZINC000257301044 190030302 /nfs/dbraw/zinc/03/03/02/190030302.db2.gz RWSWJBJWSVIDKK-NSHDSACASA-N 0 3 262.357 1.653 40 0 CDABHN O=C(NC[C@H]1CCCCN1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307050 376911356 /nfs/dbraw/zinc/91/13/56/376911356.db2.gz GGYBGZJRKJKPAE-NWDGAFQWSA-N 0 3 290.354 1.385 40 0 CDABHN CC(C)c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@H]1CCOC1)CC2 ZINC000019453739 390228129 /nfs/dbraw/zinc/22/81/29/390228129.db2.gz WNWMXYAQXOHEMV-GFCCVEGCSA-N 0 3 291.395 1.330 40 0 CDABHN CC(C)c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000019453739 390228132 /nfs/dbraw/zinc/22/81/32/390228132.db2.gz WNWMXYAQXOHEMV-GFCCVEGCSA-N 0 3 291.395 1.330 40 0 CDABHN CN(Cc1ccccc1)C[C@H]1CCCN1C(=O)CN ZINC000079415164 390421466 /nfs/dbraw/zinc/42/14/66/390421466.db2.gz GEMGMSIYTUDBGY-CQSZACIVSA-N 0 3 261.369 1.068 40 0 CDABHN CNc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717462 392803619 /nfs/dbraw/zinc/80/36/19/392803619.db2.gz ZACUPBUBEZZNGT-CYBMUJFWSA-N 0 3 258.325 1.342 40 0 CDABHN COc1ccc2c(c1)CN(C)CC[C@H]1COC(=O)N21 ZINC000225490611 393067951 /nfs/dbraw/zinc/06/79/51/393067951.db2.gz LPVJDFRCSNUYPU-NSHDSACASA-N 0 3 262.309 1.856 40 0 biogenic,in-vitro CDABHN CN(C)CCN1CC[C@@]2(C1)CCCN(c1nncs1)C2 ZINC000096071638 398069562 /nfs/dbraw/zinc/06/95/62/398069562.db2.gz PLPXQEPXLASPOJ-CQSZACIVSA-N 0 3 295.456 1.392 40 0 CDABHN C[C@H]1Cc2ccccc2N1C(=O)CNCCN(C)C ZINC000019498268 170814739 /nfs/dbraw/zinc/81/47/39/170814739.db2.gz ZTWZQALVMCFPGM-LBPRGKRZSA-N 0 3 261.369 1.115 40 0 CDABHN C[C@H](N)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000037498099 173237253 /nfs/dbraw/zinc/23/72/53/173237253.db2.gz WOCSARVMILYXHF-QMMMGPOBSA-N 0 3 271.158 1.755 40 0 CDABHN COCCNC(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000038489581 174142648 /nfs/dbraw/zinc/14/26/48/174142648.db2.gz OTJOCUVVEVJUDB-UHFFFAOYSA-N 0 3 295.383 1.437 40 0 CDABHN CN1CCC(NC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000078472934 177344375 /nfs/dbraw/zinc/34/43/75/177344375.db2.gz ZXSNLQUHXOZLKV-HWKANZROSA-N 0 3 288.347 1.639 40 0 CDABHN c1cc(COC[C@@H]2CCC[C@]23CNCCO3)ccn1 ZINC000096160953 265332856 /nfs/dbraw/zinc/33/28/56/265332856.db2.gz YEPHJZWQXAVDIR-GJZGRUSLSA-N 0 3 262.353 1.757 40 0 CDABHN N[C@H](c1nnc(Cn2cncn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533972 185006737 /nfs/dbraw/zinc/00/67/37/185006737.db2.gz KVONAQANIZRGSB-NSHDSACASA-N 0 3 289.730 1.146 40 0 CDABHN N[C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(F)cc1 ZINC000095533290 185007490 /nfs/dbraw/zinc/00/74/90/185007490.db2.gz CIAVOBGDQOAOJY-GFCCVEGCSA-N 0 3 272.287 1.237 40 0 CDABHN O=C1CC[C@]2(CCCN(Cc3cccnc3)CC2)N1 ZINC000096047459 185072587 /nfs/dbraw/zinc/07/25/87/185072587.db2.gz UQWFFBMPUQGSAT-HNNXBMFYSA-N 0 3 259.353 1.716 40 0 CDABHN CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096057644 185078075 /nfs/dbraw/zinc/07/80/75/185078075.db2.gz WRETXRZIVJGHIW-CYZMBNFOSA-N 0 3 280.393 1.474 40 0 CDABHN O[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccncc1 ZINC000096061646 185083118 /nfs/dbraw/zinc/08/31/18/185083118.db2.gz YTZIYSPMEMXINB-GJZGRUSLSA-N 0 3 258.321 1.853 40 0 CDABHN CN1CCC[C@]2(C[C@@H](Oc3ncccc3F)CO2)C1 ZINC000096107409 185100321 /nfs/dbraw/zinc/10/03/21/185100321.db2.gz FNZNYYRHADTYCN-RISCZKNCSA-N 0 3 266.316 1.853 40 0 CDABHN CCCC(=O)N1Cc2ccnn2[C@H](CN(C)C)C1 ZINC000585095127 342211466 /nfs/dbraw/zinc/21/14/66/342211466.db2.gz ATIGFNRIJWAEJP-GFCCVEGCSA-N 0 3 250.346 1.128 40 0 CDABHN CN(C)C(=O)COCC[C@H]1Cn2cccc2CN(C)C1 ZINC000585095311 342211425 /nfs/dbraw/zinc/21/14/25/342211425.db2.gz OVDCUEFRTLAGMW-CYBMUJFWSA-N 0 3 279.384 1.045 40 0 CDABHN COCc1nnc2n1CCN(C1CCCC1)[C@@H](C)C2 ZINC000585097357 342211607 /nfs/dbraw/zinc/21/16/07/342211607.db2.gz JGUWCCBTRMVTMR-NSHDSACASA-N 0 3 264.373 1.614 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936392 539098862 /nfs/dbraw/zinc/09/88/62/539098862.db2.gz VISKNHQIOAJQFV-ZWNOBZJWSA-N 0 3 258.362 1.308 40 0 CDABHN CO[C@@]1(COc2ccccc2C)CCN(CCC(N)=O)C1 ZINC000585273358 342255862 /nfs/dbraw/zinc/25/58/62/342255862.db2.gz CTNPMVVWKKCEPG-INIZCTEOSA-N 0 3 292.379 1.340 40 0 CDABHN COC(=O)[C@H]1C(=O)C[C@H]2N(C)[C@@H]1C(C)(C)C2(C)C ZINC000001733213 355950302 /nfs/dbraw/zinc/95/03/02/355950302.db2.gz ZBUSBQXKKWHUNU-VWYCJHECSA-N 0 3 253.342 1.483 40 0 CDABHN COC(=O)C1C(=O)C[C@H]2N(C)[C@@H]1C(C)(C)C2(C)C ZINC000001733213 355950303 /nfs/dbraw/zinc/95/03/03/355950303.db2.gz ZBUSBQXKKWHUNU-VWYCJHECSA-N 0 3 253.342 1.483 40 0 CDABHN NCCN1C(=O)c2ccccc2[C@]1(O)c1ccccc1 ZINC000004801939 356042883 /nfs/dbraw/zinc/04/28/83/356042883.db2.gz MXSAPVMERXGFSJ-MRXNPFEDSA-N 0 3 268.316 1.295 40 0 CDABHN NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000032109207 356831490 /nfs/dbraw/zinc/83/14/90/356831490.db2.gz VFYXPDHAFLDMBJ-UHFFFAOYSA-N 0 3 256.708 1.929 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410049 356992372 /nfs/dbraw/zinc/99/23/72/356992372.db2.gz YCWRBRHMLYYZRA-RYUDHWBXSA-N 0 3 299.415 1.438 40 0 CDABHN COc1ccc(CNC(=O)C2CCN(C)CC2)cc1 ZINC000074707331 357923233 /nfs/dbraw/zinc/92/32/33/357923233.db2.gz FELPSUCCUUCHTI-UHFFFAOYSA-N 0 3 262.353 1.653 40 0 CDABHN O=c1cc(N2CCNCC2)c(-c2ccc(Cl)cc2)n[nH]1 ZINC000095095766 358678077 /nfs/dbraw/zinc/67/80/77/358678077.db2.gz GSUSCMLLVBMZRD-UHFFFAOYSA-N 0 3 290.754 1.912 40 0 CDABHN O=C(C1CC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161625 358711030 /nfs/dbraw/zinc/71/10/30/358711030.db2.gz RQGGOTMCQMYIFM-OKILXGFUSA-N 0 3 271.364 1.382 40 0 CDABHN NC(=O)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096161563 358711037 /nfs/dbraw/zinc/71/10/37/358711037.db2.gz AMASBGDZHBHTLY-AOOOYVTPSA-N 0 3 251.355 1.190 40 0 CDABHN Cc1csc(NC(=O)[C@H]2CNCc3ccnn3C2)n1 ZINC000096188881 358715544 /nfs/dbraw/zinc/71/55/44/358715544.db2.gz FTYPSSMGLXQJCV-VIFPVBQESA-N 0 3 277.353 1.006 40 0 CDABHN CN1C(=O)[C@H](c2ccccc2)CC12CCN(CCO)CC2 ZINC000096261139 358729720 /nfs/dbraw/zinc/72/97/20/358729720.db2.gz HMWXSJQXUCSFQP-HNNXBMFYSA-N 0 3 288.391 1.459 40 0 CDABHN NC[C@@H]1CCN(Cc2ccc(Cl)cc2F)S1(=O)=O ZINC000222539313 359352121 /nfs/dbraw/zinc/35/21/21/359352121.db2.gz GSULCCWPCBYXTG-JTQLQIEISA-N 0 3 292.763 1.342 40 0 CDABHN O=C(c1ccc(F)cc1F)N1CCN2CCC[C@@H]2C1 ZINC000027932286 359509188 /nfs/dbraw/zinc/50/91/88/359509188.db2.gz KSIOZKMXVGXATP-LLVKDONJSA-N 0 3 266.291 1.885 40 0 CDABHN COCCS(=O)(=O)C(C)C(=O)N(C)C1CCCCC1 ZINC000076210056 367014152 /nfs/dbraw/zinc/01/41/52/367014152.db2.gz YOMXDKZQWCUUAV-NSHDSACASA-N 0 3 291.413 1.227 40 0 CDABHN COc1ccc(CC(=O)NC2CCN(C)CC2)cc1C ZINC000224133541 189741179 /nfs/dbraw/zinc/74/11/79/189741179.db2.gz JOQRVUXUWPTCFJ-UHFFFAOYSA-N 0 3 276.380 1.757 40 0 CDABHN CC(C)n1nc(C2CC2)cc1CNCCN1CCOCC1 ZINC000256053678 190004804 /nfs/dbraw/zinc/00/48/04/190004804.db2.gz SJJZWXMWMIGHKB-UHFFFAOYSA-N 0 3 292.427 1.763 40 0 CDABHN CCN(CC)C(=O)c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257263382 190022583 /nfs/dbraw/zinc/02/25/83/190022583.db2.gz LPQJUEHCYBWDTB-GFCCVEGCSA-N 0 3 276.384 1.768 40 0 CDABHN Cn1cncc1CN1CCC[C@@]2(C)[C@H]1CCCN2C ZINC000257261217 190022639 /nfs/dbraw/zinc/02/26/39/190022639.db2.gz LGFLNTNVEXMOBQ-CABCVRRESA-N 0 3 262.401 1.869 40 0 CDABHN CC1(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)CCCCC1 ZINC000257308772 190030892 /nfs/dbraw/zinc/03/08/92/190030892.db2.gz TYAXTYDFHFKFSW-ZIAGYGMSSA-N 0 3 280.412 1.624 40 0 CDABHN Cc1cn(C)c([C@@H]2CCN(Cc3cnccn3)C2)n1 ZINC000257306773 190030898 /nfs/dbraw/zinc/03/08/98/190030898.db2.gz SVVAPQDAFXTBEQ-GFCCVEGCSA-N 0 3 257.341 1.508 40 0 CDABHN Cn1cc(CN2CCC[C@@H]3[C@H]2CCCC(=O)N3C)cn1 ZINC000257334304 190035952 /nfs/dbraw/zinc/03/59/52/190035952.db2.gz YFJCLRGCKBOGDF-ZIAGYGMSSA-N 0 3 276.384 1.395 40 0 CDABHN CCN(C[C@@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079407970 285023338 /nfs/dbraw/zinc/02/33/38/285023338.db2.gz ZTQBDYBNQBZWRD-LBPRGKRZSA-N 0 3 272.389 1.700 40 0 CDABHN Cn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 ZINC000044870557 175268543 /nfs/dbraw/zinc/26/85/43/175268543.db2.gz ZQJVXWYUUKLGDN-UHFFFAOYSA-N 0 3 298.390 1.815 40 0 CDABHN C[NH+](C)CCCOc1ccc([C@H](N)C(=O)[O-])cc1 ZINC000072196688 176338812 /nfs/dbraw/zinc/33/88/12/176338812.db2.gz SMVZWRFACMKHHL-LBPRGKRZSA-N 0 3 252.314 1.102 40 0 CDABHN COC(=O)[C@@H]1C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072398071 176396146 /nfs/dbraw/zinc/39/61/46/176396146.db2.gz XNWMGKAGYXRTAI-IPYPFGDCSA-N 0 3 273.332 1.782 40 0 CDABHN O=C(CCn1ncc2ccccc21)NCCN1CCCC1 ZINC000040768994 260519214 /nfs/dbraw/zinc/51/92/14/260519214.db2.gz QPJPBWBRYAQFSQ-UHFFFAOYSA-N 0 3 286.379 1.638 40 0 CDABHN CCCNc1ncc(CNC[C@H]2CCCO2)cn1 ZINC000062717684 262302377 /nfs/dbraw/zinc/30/23/77/262302377.db2.gz VNRSDTGKFNJJOP-GFCCVEGCSA-N 0 3 250.346 1.567 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000079409995 280272272 /nfs/dbraw/zinc/27/22/72/280272272.db2.gz IXXNWUBFEFXWLT-NEPJUHHUSA-N 0 3 299.415 1.485 40 0 CDABHN O[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cccnc1 ZINC000096061633 185083169 /nfs/dbraw/zinc/08/31/69/185083169.db2.gz MTHAFHRGVFJDJV-GJZGRUSLSA-N 0 3 258.321 1.853 40 0 CDABHN CC(C)(NCCCN1CCOC1=O)c1nccs1 ZINC000072662413 361819716 /nfs/dbraw/zinc/81/97/16/361819716.db2.gz VWKCRNCHAWQQGP-UHFFFAOYSA-N 0 3 269.370 1.810 40 0 CDABHN CN(C)CCN1C[C@H]2CC[C@@H]1[C@@H]2Oc1ccccn1 ZINC000096083678 185092846 /nfs/dbraw/zinc/09/28/46/185092846.db2.gz VSUFAVBEIQLNHS-UMVBOHGHSA-N 0 3 261.369 1.485 40 0 CDABHN C[C@@H]1CN(CCCCNC(=O)c2cscn2)C[C@H](C)O1 ZINC000083026445 178335218 /nfs/dbraw/zinc/33/52/18/178335218.db2.gz FBPYQLNMCGTBDD-TXEJJXNPSA-N 0 3 297.424 1.762 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2O1 ZINC000096100357 185097648 /nfs/dbraw/zinc/09/76/48/185097648.db2.gz GLWYFOPQKPUYKJ-KFWWJZLASA-N 0 3 261.369 1.233 40 0 CDABHN CO[C@H]1CN(Cc2cccnc2C)C[C@H]1CC(=O)N(C)C ZINC000585277334 342256410 /nfs/dbraw/zinc/25/64/10/342256410.db2.gz URELVJFGIZZLQN-CABCVRRESA-N 0 3 291.395 1.315 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108532692 186222117 /nfs/dbraw/zinc/22/21/17/186222117.db2.gz SACSIEUMWGEEAJ-HOCLYGCPSA-N 0 3 290.411 1.467 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)C3CCCCC3)C[C@@H]2C1 ZINC000096107942 283001019 /nfs/dbraw/zinc/00/10/19/283001019.db2.gz PQGWVJHOTGMTNL-UONOGXRCSA-N 0 3 266.385 1.356 40 0 CDABHN CCOC(=O)C[C@@H]1NCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000004203239 356022167 /nfs/dbraw/zinc/02/21/67/356022167.db2.gz JWIFFLUEVLMGJF-QWRGUYRKSA-N 0 3 286.372 1.585 40 0 CDABHN O=C(c1cccc(Br)c1)N1CCCNCC1 ZINC000019426482 358503303 /nfs/dbraw/zinc/50/33/03/358503303.db2.gz QHAJTZFWWPBFJG-UHFFFAOYSA-N 0 3 283.169 1.885 40 0 CDABHN CC(C)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079391103 356988332 /nfs/dbraw/zinc/98/83/32/356988332.db2.gz NMYZULRPSWLFBY-GFCCVEGCSA-N 0 3 299.415 1.439 40 0 CDABHN CN1CC[C@@]2(C1)CCC[C@@H](CNC(=O)c1cccnc1)O2 ZINC000096208317 358720120 /nfs/dbraw/zinc/72/01/20/358720120.db2.gz IBQGNWDJSAHRLT-GOEBONIOSA-N 0 3 289.379 1.455 40 0 CDABHN CC(C)CNC(=O)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096252963 358727628 /nfs/dbraw/zinc/72/76/28/358727628.db2.gz GVFMBPLRERCPQC-HZSPNIEDSA-N 0 3 266.385 1.258 40 0 CDABHN CCOc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096255598 358728651 /nfs/dbraw/zinc/72/86/51/358728651.db2.gz QCDVLLQFJHBEEZ-UHFFFAOYSA-N 0 3 287.367 1.210 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccncc2)N1 ZINC000022238414 359048787 /nfs/dbraw/zinc/04/87/87/359048787.db2.gz GHKQCOCMYZWOPC-GFCCVEGCSA-N 0 3 292.302 1.079 40 0 CDABHN NC[C@@H]1CCN(c2ccc(F)c(Cl)c2)S1(=O)=O ZINC000222544332 359353311 /nfs/dbraw/zinc/35/33/11/359353311.db2.gz XTZXEKWJSLSTCU-QMMMGPOBSA-N 0 3 278.736 1.346 40 0 CDABHN CC[C@@H](COc1ccccc1)NC(=O)[C@]1(F)CCNC1 ZINC000225488653 374496156 /nfs/dbraw/zinc/49/61/56/374496156.db2.gz BBEAKQNQUZYKKV-WFASDCNBSA-N 0 3 280.343 1.662 40 0 CDABHN Cn1cc(CNC[C@@H]2CCCO2)c(C(F)(F)F)n1 ZINC000256053944 190005089 /nfs/dbraw/zinc/00/50/89/190005089.db2.gz UGUGTFMKIVEIGR-VIFPVBQESA-N 0 3 263.263 1.708 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670551 375700366 /nfs/dbraw/zinc/70/03/66/375700366.db2.gz UEVQFQHLXDQCMU-MNOVXSKESA-N 0 3 263.293 1.234 40 0 CDABHN CCOC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217978740 375770031 /nfs/dbraw/zinc/77/00/31/375770031.db2.gz WWPMYTOKVNMVIW-QWHCGFSZSA-N 0 3 269.366 1.214 40 0 CDABHN CCCNC(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257279261 190025270 /nfs/dbraw/zinc/02/52/70/190025270.db2.gz OFUMXEPVBFXBFK-UHFFFAOYSA-N 0 3 258.325 1.471 40 0 CDABHN COCCN1CCC[C@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305775 190030806 /nfs/dbraw/zinc/03/08/06/190030806.db2.gz SRLZAKDICDGENJ-LBPRGKRZSA-N 0 3 273.340 1.650 40 0 CDABHN CN1CCN([C@@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277688 378094148 /nfs/dbraw/zinc/09/41/48/378094148.db2.gz YXFGWJBACZGQKY-CQSZACIVSA-N 0 3 281.444 1.661 40 0 CDABHN Cc1cc(N2CCNCC2)ncc1[C@@H](O)c1ccccc1 ZINC000072223580 256704954 /nfs/dbraw/zinc/70/49/54/256704954.db2.gz RDNDXRRGSCLNPL-KRWDZBQOSA-N 0 3 283.375 1.881 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391209 390421657 /nfs/dbraw/zinc/42/16/57/390421657.db2.gz QPMPOAUWZYTLDZ-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN CN(C)C[C@@H](C(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000255188860 391634560 /nfs/dbraw/zinc/63/45/60/391634560.db2.gz MASDWELVFFSFEB-LBPRGKRZSA-N 0 3 269.776 1.770 40 0 CDABHN COc1cccc([C@H](CN)N2CCCC2)c1OC ZINC000038827572 174155915 /nfs/dbraw/zinc/15/59/15/174155915.db2.gz DEKGLUSDYOVFGR-LBPRGKRZSA-N 0 3 250.342 1.799 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039602 174184154 /nfs/dbraw/zinc/18/41/54/174184154.db2.gz ROOQIVWHRMULLO-CYBMUJFWSA-N 0 3 299.374 1.742 40 0 CDABHN NC(=O)NC(=O)[C@H](c1ccccc1)N1CCCCCC1 ZINC000058135359 175608118 /nfs/dbraw/zinc/60/81/18/175608118.db2.gz KVJQCEFZPHANMF-ZDUSSCGKSA-N 0 3 275.352 1.799 40 0 CDABHN CN(CC1CCN(C)CC1)C(=O)NCCc1ccco1 ZINC000078441076 177342014 /nfs/dbraw/zinc/34/20/14/177342014.db2.gz WKEGNNHXPCTOQC-UHFFFAOYSA-N 0 3 279.384 1.805 40 0 CDABHN COc1cccc2c(N3CCNCC3)cc(C)nc12 ZINC000032500241 274150126 /nfs/dbraw/zinc/15/01/26/274150126.db2.gz GUKGEUKOTGPFQT-UHFFFAOYSA-N 0 3 257.337 1.961 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418065 277956349 /nfs/dbraw/zinc/95/63/49/277956349.db2.gz BLVZRGWIGXNXEM-ILXRZTDVSA-N 0 3 297.443 1.654 40 0 CDABHN C[C@@H]1Oc2ccccc2OC1C(=O)Nc1ccn(C)n1 ZINC000044891996 279066611 /nfs/dbraw/zinc/06/66/11/279066611.db2.gz YWGRJWIKXLMTGH-TVQRCGJNSA-N 0 3 273.292 1.587 40 0 CDABHN c1coc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053980 185075630 /nfs/dbraw/zinc/07/56/30/185075630.db2.gz SGMISRRRSGHPNK-STQMWFEESA-N 0 3 270.336 1.638 40 0 CDABHN COCCN1CC[C@@]2(CCN2Cc2csc(C)n2)C1 ZINC000096076023 185090038 /nfs/dbraw/zinc/09/00/38/185090038.db2.gz CAFIRKANMXYOFA-CQSZACIVSA-N 0 3 281.425 1.748 40 0 CDABHN Cc1ccc(CN2C[C@H]3C[C@H](CN(C)C)O[C@H]3C2)o1 ZINC000096083153 185092955 /nfs/dbraw/zinc/09/29/55/185092955.db2.gz CMUZLFGRRJDEFE-YUELXQCFSA-N 0 3 264.369 1.739 40 0 CDABHN O[C@@H]1COC[C@@H](NCC2(c3ccccc3)CCCC2)[C@@H]1O ZINC000585285421 342258639 /nfs/dbraw/zinc/25/86/39/342258639.db2.gz CFZWLQHTLCPGEK-OAGGEKHMSA-N 0 3 291.391 1.209 40 0 CDABHN CC1(C)CN(C[C@H](O)Cn2cccn2)[C@@H]1[C@@H]1CCCO1 ZINC000329856619 362073538 /nfs/dbraw/zinc/07/35/38/362073538.db2.gz UWQIHDXGDOXTNC-MELADBBJSA-N 0 3 279.384 1.133 40 0 CDABHN CC(C)(C)[NH2+]C[C@H](O)c1ccc([O-])c(NC=O)c1 ZINC000001869833 355953521 /nfs/dbraw/zinc/95/35/21/355953521.db2.gz BYJVBDSWJLABLE-LBPRGKRZSA-N 0 3 252.314 1.382 40 0 CDABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391326 356987911 /nfs/dbraw/zinc/98/79/11/356987911.db2.gz ZDGXSFIRLVNPKM-JQWIXIFHSA-N 0 3 297.399 1.334 40 0 CDABHN CN1CCC[C@@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386617 357832284 /nfs/dbraw/zinc/83/22/84/357832284.db2.gz UPSYWVAMGPCXFM-CYBMUJFWSA-N 0 3 261.369 1.727 40 0 CDABHN O=C(CC1CC1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093862 358099045 /nfs/dbraw/zinc/09/90/45/358099045.db2.gz LIEBSLMFXPAFBZ-AWEZNQCLSA-N 0 3 278.396 1.092 40 0 CDABHN CS(=O)(=O)N1CCCC[C@@]12CCCN(CC1CC1)C2 ZINC000096047432 358706454 /nfs/dbraw/zinc/70/64/54/358706454.db2.gz JHPPIUJQKDESQL-AWEZNQCLSA-N 0 3 286.441 1.677 40 0 CDABHN CN(C)C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161517 358711165 /nfs/dbraw/zinc/71/11/65/358711165.db2.gz DBIORHHRQOGLTO-OKILXGFUSA-N 0 3 274.368 1.127 40 0 CDABHN CO[C@@H]1CCN(Cc2cnn(C)c2)[C@H]1Cc1cccnc1 ZINC000096200134 358718400 /nfs/dbraw/zinc/71/84/00/358718400.db2.gz LTANSOPCPJFPBJ-JKSUJKDBSA-N 0 3 286.379 1.647 40 0 CDABHN C[C@H]1CN(C)C[C@@]12COCCN(C(=O)c1cccs1)C2 ZINC000096202371 358719600 /nfs/dbraw/zinc/71/96/00/358719600.db2.gz QCEZKUUSIXVNHT-SWLSCSKDSA-N 0 3 294.420 1.788 40 0 CDABHN CN1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 ZINC000096228727 358723531 /nfs/dbraw/zinc/72/35/31/358723531.db2.gz MOQYKUIQOPVYGD-HNNXBMFYSA-N 0 3 294.420 1.933 40 0 CDABHN CCOC(=O)c1cn(C)nc1COCCN1CCCCC1 ZINC000575440963 365003128 /nfs/dbraw/zinc/00/31/28/365003128.db2.gz VFXCKZSXKAOATQ-UHFFFAOYSA-N 0 3 295.383 1.599 40 0 CDABHN CCOCCN1CCC[C@@H](Cc2nccnc2NC)C1 ZINC000257229171 190016341 /nfs/dbraw/zinc/01/63/41/190016341.db2.gz FWYTWIHHHYOQJT-ZDUSSCGKSA-N 0 3 278.400 1.809 40 0 CDABHN COCCN1CCC[C@H](c2nccnc2-c2cn[nH]c2)C1 ZINC000257256677 190021269 /nfs/dbraw/zinc/02/12/69/190021269.db2.gz KMLLXLWXVLHALP-LBPRGKRZSA-N 0 3 287.367 1.693 40 0 CDABHN COc1ccc([C@@H]2CN(Cc3cnc[nH]3)CCN2C)cc1 ZINC000257319039 190033161 /nfs/dbraw/zinc/03/31/61/190033161.db2.gz VQKQIPKSCGGDQU-INIZCTEOSA-N 0 3 286.379 1.907 40 0 CDABHN CCN(C[C@H]1CCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409146 285088691 /nfs/dbraw/zinc/08/86/91/285088691.db2.gz PJHVGLQUBSSWKN-LLVKDONJSA-N 0 3 285.388 1.051 40 0 CDABHN CC(C)Oc1nc(N2CCNCC2)nc2c1CCCC2 ZINC000001587057 390139705 /nfs/dbraw/zinc/13/97/05/390139705.db2.gz HGXAGBNGKFXRNE-UHFFFAOYSA-N 0 3 276.384 1.552 40 0 CDABHN CCSc1ncc(CNCCCN2CCOCC2)cn1 ZINC000062718358 391574694 /nfs/dbraw/zinc/57/46/94/391574694.db2.gz WPFVKODIMWQFTG-UHFFFAOYSA-N 0 3 296.440 1.401 40 0 CDABHN COCCNCc1cc(OC)c(OC)cc1OC ZINC000008469088 170336719 /nfs/dbraw/zinc/33/67/19/170336719.db2.gz OQRLRJTZYZXPTL-UHFFFAOYSA-N 0 3 255.314 1.448 40 0 CDABHN COc1ccc(/C=C/C(=O)NC2CCN(C)CC2)cc1 ZINC000078472868 177344476 /nfs/dbraw/zinc/34/44/76/177344476.db2.gz SSHZYXDFPXGTQN-VMPITWQZSA-N 0 3 274.364 1.919 40 0 CDABHN C[C@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097548 279393048 /nfs/dbraw/zinc/39/30/48/279393048.db2.gz RNKKALXWIGYFSG-LURJTMIESA-N 0 3 289.198 1.743 40 0 CDABHN Cc1cc(N)nc([C@@]2(C)CCCN2C2CCOCC2)n1 ZINC000257203916 301330920 /nfs/dbraw/zinc/33/09/20/301330920.db2.gz ASEORVPFFWZQAR-OAHLLOKOSA-N 0 3 276.384 1.857 40 0 CDABHN Cn1cc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cn1 ZINC000096110686 342451657 /nfs/dbraw/zinc/45/16/57/342451657.db2.gz NCAMOZYNKFWSLB-HZPDHXFCSA-N 0 3 290.411 1.105 40 0 CDABHN CSCC[C@H](N)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC000157699923 342010327 /nfs/dbraw/zinc/01/03/27/342010327.db2.gz HYTXABJPLACYMJ-GRYCIOLGSA-N 0 3 272.414 1.094 40 0 CDABHN Cc1cccc(CN2C[C@@H](N(C)C)[C@H]3OCCC[C@H]3C2)n1 ZINC000096040581 185068953 /nfs/dbraw/zinc/06/89/53/185068953.db2.gz ONHMQJTYYIRPIO-UAGQMJEPSA-N 0 3 289.423 1.931 40 0 CDABHN O=C(c1ccco1)N1CCC[C@@]2(CCN(CCO)C2)C1 ZINC000096071621 185086279 /nfs/dbraw/zinc/08/62/79/185086279.db2.gz XEGPTIOLYAWLKI-HNNXBMFYSA-N 0 3 278.352 1.200 40 0 CDABHN CCOCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096070938 185086703 /nfs/dbraw/zinc/08/67/03/185086703.db2.gz LPDGEMOLYHKYAO-UHFFFAOYSA-N 0 3 294.420 1.819 40 0 CDABHN COC[C@]1(CC(N)=O)CCCN1Cc1ccccc1F ZINC000585275250 342256161 /nfs/dbraw/zinc/25/61/61/342256161.db2.gz BBKQCCGVJZUCJX-OAHLLOKOSA-N 0 3 280.343 1.682 40 0 CDABHN CCCCc1ccc(CNC[C@@H]2COC[C@@H](O)[C@H]2O)cc1 ZINC000585287038 342258615 /nfs/dbraw/zinc/25/86/15/342258615.db2.gz RFYBWBUKJXCMOV-ZACQAIPSSA-N 0 3 293.407 1.487 40 0 CDABHN COCCN1CC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225741 186163258 /nfs/dbraw/zinc/16/32/58/186163258.db2.gz BARYWAMDNKJXDT-CVEARBPZSA-N 0 3 277.364 1.945 40 0 CDABHN CN(CCc1ccccc1)C(=O)[C@H]1CNCc2cn[nH]c21 ZINC000019701815 356496186 /nfs/dbraw/zinc/49/61/86/356496186.db2.gz STWMARMCEVRUAT-AWEZNQCLSA-N 0 3 284.363 1.298 40 0 CDABHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]cn3)C2=O)cc1 ZINC000017024527 357617648 /nfs/dbraw/zinc/61/76/48/357617648.db2.gz TTWFLOZHCSYQOB-AWEZNQCLSA-N 0 3 298.346 1.182 40 0 CDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccccn1)CC2 ZINC000096208128 358720432 /nfs/dbraw/zinc/72/04/32/358720432.db2.gz AFLTYXRYZDIBLA-AWEZNQCLSA-N 0 3 289.379 1.056 40 0 CDABHN CN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096230016 358724081 /nfs/dbraw/zinc/72/40/81/358724081.db2.gz RCZWGZLWKSQICV-UHFFFAOYSA-N 0 3 293.436 1.487 40 0 CDABHN CCCN1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000096250293 358726228 /nfs/dbraw/zinc/72/62/28/358726228.db2.gz DPKWKMFMBGRXIX-VNHYZAJKSA-N 0 3 292.379 1.899 40 0 CDABHN CSc1nc(Cl)cc(N2CCNC[C@H]2C)n1 ZINC000072203127 359048229 /nfs/dbraw/zinc/04/82/29/359048229.db2.gz JECOHUSHZFYSKH-SSDOTTSWSA-N 0 3 258.778 1.650 40 0 CDABHN CCCn1nccc1CNCCCN1CCOCC1 ZINC000159984919 372357071 /nfs/dbraw/zinc/35/70/71/372357071.db2.gz VYYKCBGTNSEDMA-UHFFFAOYSA-N 0 3 266.389 1.105 40 0 CDABHN CC(C)COCCN1CCC(Oc2cnccn2)CC1 ZINC000225724047 373733149 /nfs/dbraw/zinc/73/31/49/373733149.db2.gz QDEOGEPTZMVRIM-UHFFFAOYSA-N 0 3 279.384 1.992 40 0 CDABHN CN1c2cccnc2CN(C2CCOCC2)CC[C@H]1CO ZINC000225496946 374554171 /nfs/dbraw/zinc/55/41/71/374554171.db2.gz UMBLAOVUOXOGTF-AWEZNQCLSA-N 0 3 291.395 1.263 40 0 biogenic,in-vitro CDABHN CCC(CC)C(=O)NC[C@@H](C)N1CCN(CC)CC1 ZINC000079050229 374763012 /nfs/dbraw/zinc/76/30/12/374763012.db2.gz ZRBAMIMVYYEBFQ-CYBMUJFWSA-N 0 3 269.433 1.565 40 0 CDABHN Cc1ccc2c(n1)N(Cc1ccncc1)CCNC2 ZINC000306137281 374970854 /nfs/dbraw/zinc/97/08/54/374970854.db2.gz QRQMMTXJHDGMNO-UHFFFAOYSA-N 0 3 254.337 1.895 40 0 CDABHN CCOCCCNCc1cnn(CC(F)(F)F)c1 ZINC000256050308 190003271 /nfs/dbraw/zinc/00/32/71/190003271.db2.gz DOONIOQCKZTHSD-UHFFFAOYSA-N 0 3 265.279 1.962 40 0 CDABHN CCn1ncc(C)c1CNCCCN1CCOCC1 ZINC000256051340 190003709 /nfs/dbraw/zinc/00/37/09/190003709.db2.gz ITFPANJFQHRHMX-UHFFFAOYSA-N 0 3 266.389 1.023 40 0 CDABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cncn3C)C2)n1 ZINC000257219012 190014075 /nfs/dbraw/zinc/01/40/75/190014075.db2.gz DFGKLSCYRUNGON-GFCCVEGCSA-N 0 3 259.357 1.831 40 0 CDABHN Cn1cc(CN2C[C@H](O)[C@]3(CCCO3)C2)c2ccccc21 ZINC000257220075 190014415 /nfs/dbraw/zinc/01/44/15/190014415.db2.gz DJKYBYHQLUANFB-IRXDYDNUSA-N 0 3 286.375 1.904 40 0 CDABHN CC(C)C(=O)N[C@H]1CCN(Cc2cccs2)CC[C@@H]1O ZINC000257240412 190018782 /nfs/dbraw/zinc/01/87/82/190018782.db2.gz HTISLWWKENPWRK-KBPBESRZSA-N 0 3 296.436 1.846 40 0 CDABHN Cc1noc(C)c1-c1cccc(C(=O)NCCN(C)C)n1 ZINC000257307583 190031444 /nfs/dbraw/zinc/03/14/44/190031444.db2.gz SZHVSCKKJPXAHY-UHFFFAOYSA-N 0 3 288.351 1.645 40 0 CDABHN CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)COC)cc1 ZINC000218451738 375838651 /nfs/dbraw/zinc/83/86/51/375838651.db2.gz FOVIHOKEFKTLNW-ILXRZTDVSA-N 0 3 297.420 1.351 40 0 CDABHN CCCNC1(Cc2cc(CN(C)C)on2)COC1 ZINC000067897810 377287068 /nfs/dbraw/zinc/28/70/68/377287068.db2.gz OXJXIVBARFUSEW-UHFFFAOYSA-N 0 3 253.346 1.047 40 0 biogenic,in-vitro CDABHN CC(=O)N1CCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216276 256710677 /nfs/dbraw/zinc/71/06/77/256710677.db2.gz RSBMVDBDABBPHB-AWEZNQCLSA-N 0 3 274.368 1.175 40 0 CDABHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161513 256813081 /nfs/dbraw/zinc/81/30/81/256813081.db2.gz XYPKVRCPLFQSHB-CALCHBBNSA-N 0 3 297.402 1.938 40 0 CDABHN CCOc1ccc2[nH]c(=O)c(CNCCOC)cc2c1 ZINC000004861302 170032034 /nfs/dbraw/zinc/03/20/34/170032034.db2.gz LQYRZXBPRPBVQD-UHFFFAOYSA-N 0 3 276.336 1.663 40 0 CDABHN COCCNCc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000004861299 170032158 /nfs/dbraw/zinc/03/21/58/170032158.db2.gz DYRWWPJQZSYCFU-UHFFFAOYSA-N 0 3 260.337 1.881 40 0 CDABHN Cc1ccnn1CC(=O)N1CCCN(CC2CC2)CC1 ZINC000072254194 176350810 /nfs/dbraw/zinc/35/08/10/176350810.db2.gz NCJOSUZPPCEBHE-UHFFFAOYSA-N 0 3 276.384 1.136 40 0 CDABHN CCc1nccn1-c1cccc([C@@H]2CCCN2CCO)n1 ZINC000072355672 176375228 /nfs/dbraw/zinc/37/52/28/176375228.db2.gz JZGYFRDFGQTCKH-AWEZNQCLSA-N 0 3 286.379 1.959 40 0 CDABHN c1cnc([N-]c2nccc([C@@H]3CCC[NH2+]C3)n2)cn1 ZINC000072354554 176375261 /nfs/dbraw/zinc/37/52/61/176375261.db2.gz NDNJIOZCXNAJNX-SNVBAGLBSA-N 0 3 256.313 1.477 40 0 CDABHN COCCN1CCC[C@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360458 176376734 /nfs/dbraw/zinc/37/67/34/176376734.db2.gz VHRBTPDXZXHSMB-HNNXBMFYSA-N 0 3 291.395 1.591 40 0 CDABHN CNc1cc(C2CCN(CCOC)CC2)nc(C)n1 ZINC000072363735 176378402 /nfs/dbraw/zinc/37/84/02/176378402.db2.gz KVRZIUQVCNKOTL-UHFFFAOYSA-N 0 3 264.373 1.653 40 0 CDABHN COCCN(C)c1cc(C)nc([C@H]2CCCN(C)C2)n1 ZINC000072365220 176380826 /nfs/dbraw/zinc/38/08/26/176380826.db2.gz VRQWUJNXXYEBAL-ZDUSSCGKSA-N 0 3 278.400 1.677 40 0 CDABHN CCN(C[C@@H]1CCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409133 177481699 /nfs/dbraw/zinc/48/16/99/177481699.db2.gz PSYZRDGDVQGDGS-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079391138 278395082 /nfs/dbraw/zinc/39/50/82/278395082.db2.gz WTVJGNCNOYKARP-LBPRGKRZSA-N 0 3 297.399 1.336 40 0 CDABHN O=C(NCCN1CCCCC1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000076958640 279228223 /nfs/dbraw/zinc/22/82/23/279228223.db2.gz GVFWRPIUKRTPPW-HNNXBMFYSA-N 0 3 292.354 1.731 40 0 CDABHN CCc1cnc(N2CCC3(C[C@@H](N(C)C)CO3)CC2)nc1 ZINC000104798483 281471690 /nfs/dbraw/zinc/47/16/90/281471690.db2.gz GPPSFQGNZXONED-CQSZACIVSA-N 0 3 290.411 1.729 40 0 CDABHN CC(C)Oc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260772298 328068929 /nfs/dbraw/zinc/06/89/29/328068929.db2.gz NGTRSFOIXLXFIT-CYBMUJFWSA-N 0 3 284.381 1.341 40 0 CDABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2N1C ZINC000096182482 342451637 /nfs/dbraw/zinc/45/16/37/342451637.db2.gz YTYXXVWYDPOLBU-BNOWGMLFSA-N 0 3 293.436 1.307 40 0 CDABHN CSCC[C@H](N)C(=O)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000157700190 342010273 /nfs/dbraw/zinc/01/02/73/342010273.db2.gz HYTXABJPLACYMJ-WOPDTQHZSA-N 0 3 272.414 1.094 40 0 CDABHN COc1cccc(CNC[C@@H]2OCCc3cn(C)nc32)c1 ZINC000096044280 185071778 /nfs/dbraw/zinc/07/17/78/185071778.db2.gz OFESWRDGPHPQKU-HNNXBMFYSA-N 0 3 287.363 1.832 40 0 CDABHN CN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096046716 185071970 /nfs/dbraw/zinc/07/19/70/185071970.db2.gz TZDHKQIOHOJIKS-UHFFFAOYSA-N 0 3 259.353 1.526 40 0 CDABHN O=C(c1ccoc1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053812 185076327 /nfs/dbraw/zinc/07/63/27/185076327.db2.gz BVBUTKPZTQQPTJ-HUUCEWRRSA-N 0 3 297.358 1.879 40 0 CDABHN C[C@@H]1NC(=O)COC12CCN(Cc1cccc(F)c1)CC2 ZINC000096070243 185086022 /nfs/dbraw/zinc/08/60/22/185086022.db2.gz JUOWZTLDLKRHAL-LBPRGKRZSA-N 0 3 292.354 1.695 40 0 CDABHN c1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)ccn1 ZINC000096084108 185092884 /nfs/dbraw/zinc/09/28/84/185092884.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 0 3 297.406 1.959 40 0 CDABHN c1cc(CN2CCc3c(CN4CCCC4)[nH]nc3C2)ccn1 ZINC000096084108 185092885 /nfs/dbraw/zinc/09/28/85/185092885.db2.gz DLYYUBVTHJCREB-UHFFFAOYSA-N 0 3 297.406 1.959 40 0 CDABHN Cc1nnc([C@]23COC[C@H]2CN(Cc2cccs2)C3)o1 ZINC000096110103 185101419 /nfs/dbraw/zinc/10/14/19/185101419.db2.gz IBYYYTCVLXKRHW-BXUZGUMPSA-N 0 3 291.376 1.840 40 0 CDABHN CN1Cc2cccn2C[C@H](C(=O)NCCc2ccncc2)C1 ZINC000248130483 362153152 /nfs/dbraw/zinc/15/31/52/362153152.db2.gz MZWASYCIULFPQA-OAHLLOKOSA-N 0 3 298.390 1.304 40 0 CDABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)co1 ZINC000253588455 362439552 /nfs/dbraw/zinc/43/95/52/362439552.db2.gz DEOKXVDOAVQACW-HOTGVXAUSA-N 0 3 276.380 1.965 40 0 CDABHN Cc1c(CN2CC[C@@H](C(=O)N3CCCCC3)C2)cnn1C ZINC000019745446 356499164 /nfs/dbraw/zinc/49/91/64/356499164.db2.gz OALOWQPLXYGZSR-CQSZACIVSA-N 0 3 290.411 1.563 40 0 CDABHN O=C(NC[C@@H]1CCCN(CCO)C1)OCc1ccccc1 ZINC000079410904 356993223 /nfs/dbraw/zinc/99/32/23/356993223.db2.gz ONWVBSRIXBQHIJ-HNNXBMFYSA-N 0 3 292.379 1.617 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1cncs1)C1CC1 ZINC000079422183 356996729 /nfs/dbraw/zinc/99/67/29/356996729.db2.gz DHKYORPGSRLYSW-NSHDSACASA-N 0 3 253.371 1.617 40 0 CDABHN CN1CCC(NC(=O)c2ccc(F)c(F)c2)CC1 ZINC000074861056 357929112 /nfs/dbraw/zinc/92/91/12/357929112.db2.gz YETSFWBNXASDJC-UHFFFAOYSA-N 0 3 254.280 1.789 40 0 CDABHN CN(C)Cc1cncc2c1CCN(C1CCOCC1)C2 ZINC000096189459 358715983 /nfs/dbraw/zinc/71/59/83/358715983.db2.gz JPUOJIHSPDHRGS-UHFFFAOYSA-N 0 3 275.396 1.680 40 0 CDABHN CCN1CC[C@]2(C1)COCc1c(C)nc(N(C)C)nc12 ZINC000096244447 358724777 /nfs/dbraw/zinc/72/47/77/358724777.db2.gz IKYWVZIEWBTCAP-HNNXBMFYSA-N 0 3 276.384 1.345 40 0 CDABHN CN1C(=O)C[C@H](c2ccccc2)C12CCN(CCO)CC2 ZINC000096261199 358729528 /nfs/dbraw/zinc/72/95/28/358729528.db2.gz YXDHNNXFCIOVGQ-OAHLLOKOSA-N 0 3 288.391 1.459 40 0 CDABHN CC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096268681 358730551 /nfs/dbraw/zinc/73/05/51/358730551.db2.gz NNCQWGNIOGCEQZ-MRXNPFEDSA-N 0 3 273.380 1.916 40 0 CDABHN CN1C(=O)c2ccccc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514289851 360122892 /nfs/dbraw/zinc/12/28/92/360122892.db2.gz PIPVXFXRBWRQJK-HIFRSBDPSA-N 0 3 272.348 1.756 40 0 biogenic,in-vitro CDABHN CN1CCC[C@@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161590 360582994 /nfs/dbraw/zinc/58/29/94/360582994.db2.gz NCYMHJWWWMONMY-VIFPVBQESA-N 0 3 267.295 1.580 40 0 CDABHN COCCN1CCC(NC(=O)CCc2ccccc2)CC1 ZINC000047893806 373980166 /nfs/dbraw/zinc/98/01/66/373980166.db2.gz ZVCBRQIEQPUHKP-UHFFFAOYSA-N 0 3 290.407 1.846 40 0 CDABHN COCCN1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000049138619 373981127 /nfs/dbraw/zinc/98/11/27/373981127.db2.gz WVALLTUGVUKYQV-UHFFFAOYSA-N 0 3 280.343 1.666 40 0 CDABHN CN1CCCN(CCCCC2CCOCC2)CC1=O ZINC000225628884 375174405 /nfs/dbraw/zinc/17/44/05/375174405.db2.gz GRVBBXCCLIKALT-UHFFFAOYSA-N 0 3 268.401 1.747 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)/C=C/c2cccs2)C1 ZINC000257284060 190026183 /nfs/dbraw/zinc/02/61/83/190026183.db2.gz PBCCBVHNJBNZJB-GJBLVYBDSA-N 0 3 280.393 1.286 40 0 CDABHN COC1(OC)CCN(Cc2ccccc2)C[C@@H]1O ZINC000002576307 378049870 /nfs/dbraw/zinc/04/98/70/378049870.db2.gz ANEFKQJYRFOSON-ZDUSSCGKSA-N 0 3 251.326 1.242 40 0 CDABHN COc1ncccc1CN1C[C@H](N(C)C)[C@@H]2OCCC[C@@H]21 ZINC000096185758 256816548 /nfs/dbraw/zinc/81/65/48/256816548.db2.gz VLAHALSSEKPNGX-SOUVJXGZSA-N 0 3 291.395 1.384 40 0 CDABHN COCCN1CC[C@@]2(CCCN(Cc3ccco3)C2)C1=O ZINC000096223963 256828472 /nfs/dbraw/zinc/82/84/72/256828472.db2.gz DIBVYDVHAQSSLR-MRXNPFEDSA-N 0 3 292.379 1.741 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H](Cn2cc(CN)nn2)C1 ZINC000409425261 390554915 /nfs/dbraw/zinc/55/49/15/390554915.db2.gz KGGWRDBQBRRWIW-LLVKDONJSA-N 0 3 295.387 1.384 40 0 CDABHN CCN1CCC[C@@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216573 390622302 /nfs/dbraw/zinc/62/23/02/390622302.db2.gz BLNBEPWRWBDJKX-OAHLLOKOSA-N 0 3 274.412 1.990 40 0 CDABHN COc1ccc(S(=O)(=O)NCCCN2CCCC2)cc1 ZINC000007728021 170299180 /nfs/dbraw/zinc/29/91/80/170299180.db2.gz MZXDKNZCCSMZOW-UHFFFAOYSA-N 0 3 298.408 1.459 40 0 CDABHN OCCc1cc(CC2(NC3CCCCC3)COC2)no1 ZINC000072321907 176368941 /nfs/dbraw/zinc/36/89/41/176368941.db2.gz QZYXJABNMIQQDO-UHFFFAOYSA-N 0 3 280.368 1.443 40 0 biogenic,in-vitro CDABHN CN(C)C(=O)CCc1cccc([C@@H]2CCCN(C)C2)n1 ZINC000072382832 176388434 /nfs/dbraw/zinc/38/84/34/176388434.db2.gz NJLHKSSETAOLMO-CYBMUJFWSA-N 0 3 275.396 1.912 40 0 CDABHN COCCN(CCN(C)C)C(=O)c1cccc(Cl)n1 ZINC000078512133 177348593 /nfs/dbraw/zinc/34/85/93/177348593.db2.gz COTPQONQXFWCFP-UHFFFAOYSA-N 0 3 285.775 1.385 40 0 CDABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCN(C(C)C)C1 ZINC000257281057 277019279 /nfs/dbraw/zinc/01/92/79/277019279.db2.gz ONLAUQVCHPLKBX-NSHDSACASA-N 0 3 287.367 1.287 40 0 CDABHN CCN(CC)Cc1cnc2n1CCN([C@H]1CCOC1)CC2 ZINC000096067883 279138923 /nfs/dbraw/zinc/13/89/23/279138923.db2.gz YDETXXVEMPSNBD-AWEZNQCLSA-N 0 3 292.427 1.372 40 0 CDABHN CC(C)N(C(=O)CN)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391110 279274528 /nfs/dbraw/zinc/27/45/28/279274528.db2.gz MWNHMYGBGINGBI-LBPRGKRZSA-N 0 3 299.415 1.582 40 0 CDABHN Cc1c[nH]nc1[C@@H]1COCCN1C1CCN(C)CC1 ZINC000257336201 302329534 /nfs/dbraw/zinc/32/95/34/302329534.db2.gz YNNDFULJNQUTFF-ZDUSSCGKSA-N 0 3 264.373 1.186 40 0 CDABHN CCN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096046745 185071301 /nfs/dbraw/zinc/07/13/01/185071301.db2.gz QFWXHTADYNWUNB-UHFFFAOYSA-N 0 3 273.380 1.916 40 0 CDABHN CCN1CCC2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096046743 185072075 /nfs/dbraw/zinc/07/20/75/185072075.db2.gz JZCJSIADHDZQJD-UHFFFAOYSA-N 0 3 273.380 1.916 40 0 CDABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000096054992 185075785 /nfs/dbraw/zinc/07/57/85/185075785.db2.gz DEOKXVDOAVQACW-HZPDHXFCSA-N 0 3 276.380 1.965 40 0 CDABHN c1cnc(N2C[C@H]3CN(Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096110660 185101530 /nfs/dbraw/zinc/10/15/30/185101530.db2.gz SYONVFYXOKCHRI-GASCZTMLSA-N 0 3 281.363 1.440 40 0 CDABHN CCCCN1CCC[C@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101151 342212327 /nfs/dbraw/zinc/21/23/27/342212327.db2.gz JZPWJYDCECURRH-HNNXBMFYSA-N 0 3 281.400 1.924 40 0 CDABHN O=C(OCc1ccccc1)N1CCC2(CC1)COCCN2 ZINC000306145572 201845418 /nfs/dbraw/zinc/84/54/18/201845418.db2.gz IVFQQTQUHJGPTJ-UHFFFAOYSA-N 0 3 290.363 1.778 40 0 CDABHN CC(C)C[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC(C)C ZINC000236607434 363275237 /nfs/dbraw/zinc/27/52/37/363275237.db2.gz DXOLKQYULQQTQT-STQMWFEESA-N 0 3 284.400 1.611 40 0 CDABHN CCOc1ccccc1NC(=S)NCCN(C)C ZINC000013765479 356357083 /nfs/dbraw/zinc/35/70/83/356357083.db2.gz MPFPYDRIVRGAJD-UHFFFAOYSA-N 0 3 267.398 1.933 40 0 CDABHN Cc1cc(=NC(=O)N(C)C[C@@H]2CCCN2C)[nH]n1C(C)C ZINC000333477937 205356871 /nfs/dbraw/zinc/35/68/71/205356871.db2.gz FFFHIEAVBDTJOH-ZDUSSCGKSA-N 0 3 293.415 1.752 40 0 CDABHN CN(C)C(=O)CN1CC[C@H]2[C@H]1CCN2Cc1ccccc1 ZINC000306134570 374970153 /nfs/dbraw/zinc/97/01/53/374970153.db2.gz NSGIZQMXZANKPL-JKSUJKDBSA-N 0 3 287.407 1.423 40 0 CDABHN CN1CCN(Cc2ccc(Cl)c(F)c2)C[C@@H](C(N)=O)C1 ZINC000257224257 190015760 /nfs/dbraw/zinc/01/57/60/190015760.db2.gz FAZDPBCITXDXLM-NSHDSACASA-N 0 3 299.777 1.328 40 0 CDABHN Cc1ccc(C(=O)N2CC[C@](O)(CN(C)C)C2)cc1F ZINC000257216788 190014223 /nfs/dbraw/zinc/01/42/23/190014223.db2.gz CWBAXDSULNKOME-HNNXBMFYSA-N 0 3 280.343 1.273 40 0 CDABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3cnc[nH]3)C[C@H]12 ZINC000257252241 190019982 /nfs/dbraw/zinc/01/99/82/190019982.db2.gz JUBQGOQKXDDBQC-VHDGCEQUSA-N 0 3 298.394 1.547 40 0 CDABHN Fc1ccccc1OCCc1cc([C@H]2CNCCO2)n[nH]1 ZINC000257289949 190027630 /nfs/dbraw/zinc/02/76/30/190027630.db2.gz QAWMXMCHYAATJI-OAHLLOKOSA-N 0 3 291.326 1.831 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)CCC2CCCCC2)C1 ZINC000257294713 190028381 /nfs/dbraw/zinc/02/83/81/190028381.db2.gz QVIZBZVEDHLLNT-MRXNPFEDSA-N 0 3 282.428 1.872 40 0 CDABHN Cn1cc(CN2CCC3(CC(Nc4ccncn4)C3)C2)cn1 ZINC000257310076 190031993 /nfs/dbraw/zinc/03/19/93/190031993.db2.gz UDPDKGAYSUJCDG-UHFFFAOYSA-N 0 3 298.394 1.677 40 0 CDABHN O=C(CN1CCC[C@H]1CN1CCCCC1)NC1CC1 ZINC000069077771 377790795 /nfs/dbraw/zinc/79/07/95/377790795.db2.gz QUNPWTPSEFOSCS-AWEZNQCLSA-N 0 3 265.401 1.215 40 0 CDABHN COc1ccc(SCC(=O)NC2CCN(C)CC2)cc1 ZINC000069438152 378089941 /nfs/dbraw/zinc/08/99/41/378089941.db2.gz MCNWXABWQZLORI-UHFFFAOYSA-N 0 3 294.420 1.998 40 0 CDABHN CC(C)NC(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096200934 256820705 /nfs/dbraw/zinc/82/07/05/256820705.db2.gz URVUQTYFVBPDIS-KGLIPLIRSA-N 0 3 293.415 1.085 40 0 CDABHN C[C@@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(C)(C)O1 ZINC000041679803 391478440 /nfs/dbraw/zinc/47/84/40/391478440.db2.gz SHONQYTYXWQYRN-OCCSQVGLSA-N 0 3 276.380 1.582 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2cccc(F)c2)C[C@H](C)O1 ZINC000022168455 171366837 /nfs/dbraw/zinc/36/68/37/171366837.db2.gz KOSVWTNJZPXZKA-UHIISALHSA-N 0 3 252.333 1.935 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397682 176395214 /nfs/dbraw/zinc/39/52/14/176395214.db2.gz QQAMDUOCCFJGNN-KBRIMQKVSA-N 0 3 297.402 1.874 40 0 CDABHN CCN(CC)CC(=O)NC[C@H](O)c1c(F)cccc1F ZINC000077634725 177289201 /nfs/dbraw/zinc/28/92/01/177289201.db2.gz ZPLYDLXNORQQSQ-LBPRGKRZSA-N 0 3 286.322 1.456 40 0 CDABHN CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390851 279219436 /nfs/dbraw/zinc/21/94/36/279219436.db2.gz ZDFZSXKULPUVMT-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN Cc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)o1 ZINC000096061115 185082951 /nfs/dbraw/zinc/08/29/51/185082951.db2.gz AHMBGTXDXFAAPG-LBPRGKRZSA-N 0 3 276.340 1.424 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)Cc2ccsc2)[C@@H]2COC[C@H]12 ZINC000096064190 185084769 /nfs/dbraw/zinc/08/47/69/185084769.db2.gz ASSNJKKGNHSHPY-JHJVBQTASA-N 0 3 280.393 1.078 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2O1 ZINC000096100356 185098343 /nfs/dbraw/zinc/09/83/43/185098343.db2.gz BSSVWVQCELLZSO-YUELXQCFSA-N 0 3 261.369 1.233 40 0 CDABHN COCCN1CCC[C@@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177421 342232408 /nfs/dbraw/zinc/23/24/08/342232408.db2.gz IRVCOPMRHSVGHH-GFCCVEGCSA-N 0 3 287.367 1.693 40 0 CDABHN CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2cnc[nH]2)C1 ZINC000585276404 342256200 /nfs/dbraw/zinc/25/62/00/342256200.db2.gz OIZPBLMLUIUUMO-HNNXBMFYSA-N 0 3 294.399 1.259 40 0 CDABHN COc1cccc([C@@H]2CO[C@]3(C2)CN(C)C[C@H]3O)c1 ZINC000585291628 342259010 /nfs/dbraw/zinc/25/90/10/342259010.db2.gz QXJBRGHPOKRSBH-NWANDNLSSA-N 0 3 263.337 1.244 40 0 CDABHN CCCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019501354 356487861 /nfs/dbraw/zinc/48/78/61/356487861.db2.gz NOJYMEPZXLEPJV-CYBMUJFWSA-N 0 3 274.368 1.586 40 0 CDABHN Cc1nnsc1C(=O)NCc1ccccc1CN(C)C ZINC000019563667 356492423 /nfs/dbraw/zinc/49/24/23/356492423.db2.gz RPMQFBJUEBLXKD-UHFFFAOYSA-N 0 3 290.392 1.838 40 0 CDABHN COc1ccc(SCC(=O)NCCN(C)C)cc1OC ZINC000020104478 356526222 /nfs/dbraw/zinc/52/62/22/356526222.db2.gz DPWLZAJBDRPSNC-UHFFFAOYSA-N 0 3 298.408 1.474 40 0 CDABHN CC[C@@H](C)c1c(O)nc(N)n1C(=O)OCc1ccccc1 ZINC000032068459 356773192 /nfs/dbraw/zinc/77/31/92/356773192.db2.gz XBSZIGWKUWBKQU-ZYHUDNBSSA-N 0 3 289.335 1.895 40 0 CDABHN CC[C@@H](C)C1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000032068459 356773197 /nfs/dbraw/zinc/77/31/97/356773197.db2.gz XBSZIGWKUWBKQU-ZYHUDNBSSA-N 0 3 289.335 1.895 40 0 CDABHN NCCS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000036720675 356878595 /nfs/dbraw/zinc/87/85/95/356878595.db2.gz ILSZCWAFJPIFTG-UHFFFAOYSA-N 0 3 268.165 1.867 40 0 CDABHN CN(C)CCOC1CCN(c2ccc(Cl)nn2)CC1 ZINC000036724584 356878733 /nfs/dbraw/zinc/87/87/33/356878733.db2.gz VYRRZHDKOWSGSK-UHFFFAOYSA-N 0 3 284.791 1.677 40 0 CDABHN NCCS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000036720678 356879046 /nfs/dbraw/zinc/87/90/46/356879046.db2.gz SMLXDKIFTZRCRD-UHFFFAOYSA-N 0 3 268.165 1.867 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H](N(C(=O)CN)C2CC2)C1 ZINC000079391145 356988036 /nfs/dbraw/zinc/98/80/36/356988036.db2.gz DHLMLLZDPSNBHT-LBPRGKRZSA-N 0 3 297.399 1.336 40 0 CDABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391372 356988664 /nfs/dbraw/zinc/98/86/64/356988664.db2.gz WURSQUVCHDYVQL-NEPJUHHUSA-N 0 3 299.415 1.343 40 0 CDABHN CCN(C(=O)CN)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404184 356989860 /nfs/dbraw/zinc/98/98/60/356989860.db2.gz SLSGVCNCZMADIW-AWEZNQCLSA-N 0 3 261.369 1.068 40 0 CDABHN CCN(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409141 356992394 /nfs/dbraw/zinc/99/23/94/356992394.db2.gz PJHVGLQUBSSWKN-NSHDSACASA-N 0 3 285.388 1.051 40 0 CDABHN CCOC(CNC[C@@H](C)C(=O)OC(C)(C)C)OCC ZINC000047219140 357153759 /nfs/dbraw/zinc/15/37/59/357153759.db2.gz IVYZOQODXLJAMD-LLVKDONJSA-N 0 3 275.389 1.953 40 0 CDABHN Cc1cccc(C)c1OCC(=O)NC1CCN(C)CC1 ZINC000047829248 357165655 /nfs/dbraw/zinc/16/56/55/357165655.db2.gz VYJJYFIJECFTHQ-UHFFFAOYSA-N 0 3 276.380 1.893 40 0 CDABHN CN1CCC(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1 ZINC000073099197 357865590 /nfs/dbraw/zinc/86/55/90/357865590.db2.gz DSHJCESPCONCIZ-UHFFFAOYSA-N 0 3 298.390 1.830 40 0 CDABHN CSCC[C@H](C)N(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000072666055 358544711 /nfs/dbraw/zinc/54/47/11/358544711.db2.gz AIGZIGFVSBFLBY-AVGNSLFASA-N 0 3 288.457 1.696 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000100177828 358642940 /nfs/dbraw/zinc/64/29/40/358642940.db2.gz HSYISULWWCUMBI-SDDRHHMPSA-N 0 3 299.415 1.628 40 0 CDABHN NC[C@H]1CCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000222537444 359351936 /nfs/dbraw/zinc/35/19/36/359351936.db2.gz MDABVFKBAGAQCW-LLVKDONJSA-N 0 3 274.773 1.203 40 0 CDABHN CN(C)CCNC(=O)c1ccc2[nH]c(Cl)nc2c1 ZINC000225975155 359637294 /nfs/dbraw/zinc/63/72/94/359637294.db2.gz LYOZSSDWYXQNOM-UHFFFAOYSA-N 0 3 266.732 1.508 40 0 CDABHN Cc1c(CNC[C@H]2CCCO2)cnn1CC(F)F ZINC000256054203 190004713 /nfs/dbraw/zinc/00/47/13/190004713.db2.gz VKKMNVPILQRDOI-LLVKDONJSA-N 0 3 259.300 1.725 40 0 CDABHN Clc1c(N2CCCC2)cnnc1N1CCNCC1 ZINC000217514113 375662103 /nfs/dbraw/zinc/66/21/03/375662103.db2.gz ZZHLTRHWEMHGFP-UHFFFAOYSA-N 0 3 267.764 1.140 40 0 CDABHN CCOCCN1CCNC[C@H]1c1cccc(C(=O)NC)c1 ZINC000257205088 190011151 /nfs/dbraw/zinc/01/11/51/190011151.db2.gz AXPOXSDTPHRJMF-HNNXBMFYSA-N 0 3 291.395 1.029 40 0 CDABHN Cc1cc(C(=O)NC2CC2)nc(C2CCN(C)CC2)n1 ZINC000257232308 190017190 /nfs/dbraw/zinc/01/71/90/190017190.db2.gz GKHRAIQFGOUQKG-UHFFFAOYSA-N 0 3 274.368 1.486 40 0 CDABHN CC(C)CN1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccncc1 ZINC000067897137 377286849 /nfs/dbraw/zinc/28/68/49/377286849.db2.gz MIQPYNUSISSINH-CABCVRRESA-N 0 3 289.379 1.149 40 0 biogenic,in-vitro CDABHN CC(C)OC(=O)[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C ZINC000096510338 390530798 /nfs/dbraw/zinc/53/07/98/390530798.db2.gz GXNVKSKNYMQVPW-GHMZBOCLSA-N 0 3 286.372 1.441 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC ZINC000242425505 393062891 /nfs/dbraw/zinc/06/28/91/393062891.db2.gz BLWJLKXJNKQTKR-RRFJBIMHSA-N 0 3 297.420 1.569 40 0 CDABHN Cc1cccc(O[C@H](C)C(=O)NCCN(C)C)c1C ZINC000020460580 171209709 /nfs/dbraw/zinc/20/97/09/171209709.db2.gz NOLRCWSQOUQODR-CYBMUJFWSA-N 0 3 264.369 1.749 40 0 CDABHN Cn1cc(CN2CCC[C@](C)(c3cc[nH]n3)C2)cn1 ZINC000072364284 176378850 /nfs/dbraw/zinc/37/88/50/176378850.db2.gz JYTCRLPQZJNMRE-AWEZNQCLSA-N 0 3 259.357 1.697 40 0 CDABHN CNC(=O)[C@@H]1CN(C(C)C)CCN1Cc1ccccc1 ZINC000072367727 176382268 /nfs/dbraw/zinc/38/22/68/176382268.db2.gz ZLGDQZYGPPOKDH-HNNXBMFYSA-N 0 3 275.396 1.327 40 0 CDABHN CCN(Cc1ccccc1Br)C(=O)CN ZINC000076710927 177067636 /nfs/dbraw/zinc/06/76/36/177067636.db2.gz AJCSUKRQTQRUNZ-UHFFFAOYSA-N 0 3 271.158 1.756 40 0 CDABHN CN1CCN([C@H]2CCCc3ccccc3[C@@H]2O)CC1 ZINC000019366347 277111886 /nfs/dbraw/zinc/11/18/86/277111886.db2.gz PKTNMCFYIQOHGV-HOTGVXAUSA-N 0 3 260.381 1.672 40 0 CDABHN Cc1noc(C2(C)CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000257245247 327128325 /nfs/dbraw/zinc/12/83/25/327128325.db2.gz IORDLQHJOPYRED-RYUDHWBXSA-N 0 3 265.357 1.645 40 0 CDABHN COc1ccc(NC(=O)C2CCN(C)CC2)c(OC)c1 ZINC000074713374 567903701 /nfs/dbraw/zinc/90/37/01/567903701.db2.gz ZZVAKTRRGZTDBU-UHFFFAOYSA-N 0 3 278.352 1.984 40 0 CDABHN Cn1cccc1CN1CCN2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096063756 185083553 /nfs/dbraw/zinc/08/35/53/185083553.db2.gz QBTWMPVNQDDWLQ-DLBZAZTESA-N 0 3 289.423 1.710 40 0 CDABHN C[C@H]1CN(CCCCNC(=O)c2cscn2)C[C@H](C)O1 ZINC000083026447 178335018 /nfs/dbraw/zinc/33/50/18/178335018.db2.gz FBPYQLNMCGTBDD-RYUDHWBXSA-N 0 3 297.424 1.762 40 0 CDABHN CCOc1ccc2c([O-])coc2c1CN1CC[NH2+]CC1 ZINC000256049467 345289217 /nfs/dbraw/zinc/28/92/17/345289217.db2.gz ABDBBJPAXZAISZ-UHFFFAOYSA-N 0 3 276.336 1.066 40 0 CDABHN COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](C)N)cc1 ZINC000158072219 188355923 /nfs/dbraw/zinc/35/59/23/188355923.db2.gz OJNXTMLMAPIJER-NWDGAFQWSA-N 0 3 264.369 1.679 40 0 CDABHN COc1cc(OC)cc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000035105604 356004981 /nfs/dbraw/zinc/00/49/81/356004981.db2.gz SZEXTGUURAXLBJ-HSMVNMDESA-N 0 3 294.395 1.813 40 0 CDABHN O=C(NC[C@@H]1CCN(CCO)C1)OCc1ccccc1 ZINC000079410867 356993885 /nfs/dbraw/zinc/99/38/85/356993885.db2.gz QDJUYSXULYHLRU-AWEZNQCLSA-N 0 3 278.352 1.227 40 0 CDABHN CN1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000074707370 357923088 /nfs/dbraw/zinc/92/30/88/357923088.db2.gz DNHVWGVQNFSIAF-UHFFFAOYSA-N 0 3 287.407 1.677 40 0 CDABHN COc1ccccc1CNC[C@@H]1COCc2c1cnn2C ZINC000096197693 358715941 /nfs/dbraw/zinc/71/59/41/358715941.db2.gz HEVOOUSYVRDCEH-CYBMUJFWSA-N 0 3 287.363 1.832 40 0 CDABHN CN(C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccccc1 ZINC000096200805 358718510 /nfs/dbraw/zinc/71/85/10/358718510.db2.gz RZVQLOJAYUNXKI-KGLIPLIRSA-N 0 3 282.409 1.193 40 0 CDABHN COCCN1CCC[C@@]12CCCN(c1nncs1)C2 ZINC000096203234 358719237 /nfs/dbraw/zinc/71/92/37/358719237.db2.gz VLCBRYUHASKOTF-CYBMUJFWSA-N 0 3 282.413 1.619 40 0 CDABHN CCN(C(C)=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079417991 284263170 /nfs/dbraw/zinc/26/31/70/284263170.db2.gz SYJXTMADJWQXPQ-MCIONIFRSA-N 0 3 283.416 1.266 40 0 CDABHN COCCN1CCC(NC(=O)c2ccc(C)cc2)CC1 ZINC000049138611 373981426 /nfs/dbraw/zinc/98/14/26/373981426.db2.gz BOCNJDKKEGMLHI-UHFFFAOYSA-N 0 3 276.380 1.836 40 0 CDABHN COC(CN1CCC[C@@H]1c1cnn(C)c1C)OC ZINC000162171718 375289167 /nfs/dbraw/zinc/28/91/67/375289167.db2.gz WTOVRXXFIRGPHY-GFCCVEGCSA-N 0 3 253.346 1.484 40 0 CDABHN CCOCCCNCc1cnn(C)c1C(F)(F)F ZINC000256050335 190003093 /nfs/dbraw/zinc/00/30/93/190003093.db2.gz DQQLYVXGENALJA-UHFFFAOYSA-N 0 3 265.279 1.955 40 0 CDABHN C[C@]12CCCCN(Cc3cnccn3)[C@H]1CCCC(=O)N2 ZINC000257201270 190010562 /nfs/dbraw/zinc/01/05/62/190010562.db2.gz AGYYSVBRQKMDID-HOCLYGCPSA-N 0 3 288.395 1.890 40 0 CDABHN Cc1cncc(C2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000257233343 190017027 /nfs/dbraw/zinc/01/70/27/190017027.db2.gz GOWSCXNVXIPUEY-OAHLLOKOSA-N 0 3 288.395 1.585 40 0 CDABHN Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCCC3)C2)n1 ZINC000257311302 190032182 /nfs/dbraw/zinc/03/21/82/190032182.db2.gz UIVUZHWNGHPJDF-CYBMUJFWSA-N 0 3 276.384 1.520 40 0 CDABHN C[C@@H](CNC(=O)[C@@H](C)N1CCCCCC1)C[C@H](C)O ZINC000073914302 378857676 /nfs/dbraw/zinc/85/76/76/378857676.db2.gz UCPWUTNGQFGRQB-HZSPNIEDSA-N 0 3 270.417 1.774 40 0 CDABHN Cc1cnc(C(=O)N2CCCC23CCN(C)CC3)cn1 ZINC000096227982 256828192 /nfs/dbraw/zinc/82/81/92/256828192.db2.gz RBTCVLIXQHGWRE-UHFFFAOYSA-N 0 3 274.368 1.485 40 0 CDABHN COCCN1CC[C@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC000306124401 392106402 /nfs/dbraw/zinc/10/64/02/392106402.db2.gz BOTQCHMKWAFTCY-NEPJUHHUSA-N 0 3 281.381 1.078 40 0 CDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccccc1 ZINC000242425504 393062735 /nfs/dbraw/zinc/06/27/35/393062735.db2.gz BLWJLKXJNKQTKR-RBSFLKMASA-N 0 3 297.420 1.569 40 0 CDABHN COCCN1CCC2(CCCN(C(C)=O)C2)CC1 ZINC000096071794 398069553 /nfs/dbraw/zinc/06/95/53/398069553.db2.gz JUYYRDLXNWAEIB-UHFFFAOYSA-N 0 3 254.374 1.357 40 0 CDABHN CN1CCC(OC(=O)[C@H](O)C2CCCCC2)CC1 ZINC000006375823 170195782 /nfs/dbraw/zinc/19/57/82/170195782.db2.gz RXMUOBKRTGNEHY-CYBMUJFWSA-N 0 3 255.358 1.565 40 0 CDABHN COc1ccc(CCNCc2ccnn2C)cc1OC ZINC000020312174 171144584 /nfs/dbraw/zinc/14/45/84/171144584.db2.gz KFCJEJUGQYLDEH-UHFFFAOYSA-N 0 3 275.352 1.770 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000022174867 171370077 /nfs/dbraw/zinc/37/00/77/171370077.db2.gz SDSLHHOEKIAOFX-TYNCELHUSA-N 0 3 264.369 1.804 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000037363638 173152529 /nfs/dbraw/zinc/15/25/29/173152529.db2.gz RDVDUFLJQMMCNS-ZOWXZIJZSA-N 0 3 276.380 1.731 40 0 CDABHN Cc1nccn1-c1nccnc1[C@@H]1CCCN(C)C1 ZINC000072350493 176373465 /nfs/dbraw/zinc/37/34/65/176373465.db2.gz LSABXAMZAKMHLN-GFCCVEGCSA-N 0 3 257.341 1.780 40 0 CDABHN CN1CCC[C@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377394 176385787 /nfs/dbraw/zinc/38/57/87/176385787.db2.gz PLTQPIJFWJYSAI-NSHDSACASA-N 0 3 270.340 1.819 40 0 CDABHN CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242648742 261266761 /nfs/dbraw/zinc/26/67/61/261266761.db2.gz RFPRTBTZPXIJMC-XYPYZODXSA-N 0 3 285.388 1.239 40 0 CDABHN CC(C)c1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222540797 278038877 /nfs/dbraw/zinc/03/88/77/278038877.db2.gz JXMSBFBKNSPWOO-ZDUSSCGKSA-N 0 3 268.382 1.677 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079409115 288873470 /nfs/dbraw/zinc/87/34/70/288873470.db2.gz ISTQEHSNHMVKSU-MNOVXSKESA-N 0 3 285.388 1.239 40 0 CDABHN CN1CCC[C@@]2(C1)CN(Cc1ccoc1)CCO2 ZINC000096049061 185072399 /nfs/dbraw/zinc/07/23/99/185072399.db2.gz QYYDLRCTHQLXTR-CQSZACIVSA-N 0 3 250.342 1.576 40 0 CDABHN CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057526 185077273 /nfs/dbraw/zinc/07/72/73/185077273.db2.gz TXGBUXVFABUKEA-JHJVBQTASA-N 0 3 280.393 1.616 40 0 CDABHN c1cc(CNC[C@@H]2Cn3nncc3CO2)cs1 ZINC000096060994 185083198 /nfs/dbraw/zinc/08/31/98/185083198.db2.gz ZSMIHRBLEVUVEA-LLVKDONJSA-N 0 3 250.327 1.028 40 0 CDABHN COCCC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096100049 185097984 /nfs/dbraw/zinc/09/79/84/185097984.db2.gz DYWNHRKMIVAIBL-GASCZTMLSA-N 0 3 289.379 1.008 40 0 CDABHN Fc1cccnc1OC[C@@H]1CCn2cncc2CN1 ZINC000585098578 342212047 /nfs/dbraw/zinc/21/20/47/342212047.db2.gz ZLANUOPAZPAQBW-JTQLQIEISA-N 0 3 262.288 1.358 40 0 CDABHN CNCC(=O)N1CC[C@H](Cc2cccc(C)c2)[C@H](OC)C1 ZINC000585278219 342256864 /nfs/dbraw/zinc/25/68/64/342256864.db2.gz NLDHPJURWUFHFV-HZPDHXFCSA-N 0 3 290.407 1.620 40 0 CDABHN CNCC(=O)N1CC[C@H](Cc2cccc(C)c2)[C@@H](OC)C1 ZINC000585278218 342256881 /nfs/dbraw/zinc/25/68/81/342256881.db2.gz NLDHPJURWUFHFV-CVEARBPZSA-N 0 3 290.407 1.620 40 0 CDABHN O[C@@]1(COc2ccc(F)cc2)COCCN(C2CCC2)C1 ZINC000585284071 342258610 /nfs/dbraw/zinc/25/86/10/342258610.db2.gz UQASGQMKJPAYPA-MRXNPFEDSA-N 0 3 295.354 1.820 40 0 CDABHN CCC(=O)Nc1cc(N)ccc1N1CCN(CC)CC1 ZINC000226258289 136478596 /nfs/dbraw/zinc/47/85/96/136478596.db2.gz XZRDBAPIYSQSDL-UHFFFAOYSA-N 0 3 276.384 1.759 40 0 CDABHN OC[C@@H]1C[C@@H](NCc2ccc(F)cc2F)C[C@@H]1O ZINC000107286175 186165481 /nfs/dbraw/zinc/16/54/81/186165481.db2.gz OLNZAZVQTPDZEU-NDMJEZRESA-N 0 3 257.280 1.186 40 0 CDABHN COC(=O)CN1Cc2c(ccc(Cl)c2Cl)NC1=N ZINC000033968443 356809831 /nfs/dbraw/zinc/80/98/31/356809831.db2.gz GPQHPFJCLXKFHS-UHFFFAOYSA-N 0 3 288.134 1.928 40 0 CDABHN CC(C)(C)OC(=O)NC[C@@H]1CCCCN1CCO ZINC000079407834 356991197 /nfs/dbraw/zinc/99/11/97/356991197.db2.gz YKHCEYSZRUBHOJ-NSHDSACASA-N 0 3 258.362 1.358 40 0 CDABHN CN(CC1CCN(C(=O)CN)CC1)C(=O)OC(C)(C)C ZINC000079409088 356992360 /nfs/dbraw/zinc/99/23/60/356992360.db2.gz KISUFWKPTAMETL-UHFFFAOYSA-N 0 3 285.388 1.051 40 0 CDABHN Cc1cccc(OCC(=O)NC2CCN(C)CC2)c1 ZINC000047829359 357165337 /nfs/dbraw/zinc/16/53/37/357165337.db2.gz NDRFHCKYIFXBQA-UHFFFAOYSA-N 0 3 262.353 1.584 40 0 CDABHN COc1ccc(CC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000027931970 357277982 /nfs/dbraw/zinc/27/79/82/357277982.db2.gz RDIRRJSJANXWES-CQSZACIVSA-N 0 3 274.364 1.544 40 0 CDABHN CN(Cc1ccco1)[C@@H]1CN(C)C[C@@H]2CCCO[C@H]12 ZINC000096040675 358706203 /nfs/dbraw/zinc/70/62/03/358706203.db2.gz URRCVSPRSFPYPJ-CFVMTHIKSA-N 0 3 264.369 1.821 40 0 CDABHN CC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202183 358719532 /nfs/dbraw/zinc/71/95/32/358719532.db2.gz OEENMNRZLVWGHZ-HNNXBMFYSA-N 0 3 294.420 1.819 40 0 CDABHN COCCN1CC[C@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216952 358721255 /nfs/dbraw/zinc/72/12/55/358721255.db2.gz UNWKOQNBHYOHEU-HNNXBMFYSA-N 0 3 276.384 1.415 40 0 CDABHN CCN(C)c1ncnc2c1CCN(C1CCOCC1)CC2 ZINC000096255813 358728781 /nfs/dbraw/zinc/72/87/81/358728781.db2.gz BMQGAHPWNLVESL-UHFFFAOYSA-N 0 3 290.411 1.512 40 0 CDABHN NC[C@@H]1CCN(Cc2c(F)cccc2Cl)S1(=O)=O ZINC000222538057 359351878 /nfs/dbraw/zinc/35/18/78/359351878.db2.gz AKCYOOCGHXQSNE-QMMMGPOBSA-N 0 3 292.763 1.342 40 0 CDABHN NC[C@H]1CCN(c2cccc3ccccc32)S1(=O)=O ZINC000222545490 359352838 /nfs/dbraw/zinc/35/28/38/359352838.db2.gz OKJMFAPYYFWCGT-GFCCVEGCSA-N 0 3 276.361 1.707 40 0 CDABHN CN(C)CCNC(=O)c1ccc2nc(Cl)oc2c1 ZINC000225975132 359637104 /nfs/dbraw/zinc/63/71/04/359637104.db2.gz SHZBMSYMHQANPW-UHFFFAOYSA-N 0 3 267.716 1.773 40 0 CDABHN CC(C)(N)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000236795904 361375052 /nfs/dbraw/zinc/37/50/52/361375052.db2.gz LLJJVYCUCFJTRK-SNVBAGLBSA-N 0 3 291.178 1.880 40 0 CDABHN CN(C)[C@H](CNc1ccc2nnnn2n1)c1cccs1 ZINC000057369470 375489214 /nfs/dbraw/zinc/48/92/14/375489214.db2.gz WCDIDERPZSIQCB-SECBINFHSA-N 0 3 289.368 1.296 40 0 CDABHN c1cc(Nc2ccc(N3CCNCC3)nn2)ccn1 ZINC000217505441 375660865 /nfs/dbraw/zinc/66/08/65/375660865.db2.gz ZXAUARAEFYSXGM-UHFFFAOYSA-N 0 3 256.313 1.025 40 0 CDABHN CN(C)c1nccc(C2CN(CC3(O)CCCCC3)C2)n1 ZINC000257208470 190012450 /nfs/dbraw/zinc/01/24/50/190012450.db2.gz BMHGJEBZJZHKIK-UHFFFAOYSA-N 0 3 290.411 1.637 40 0 CDABHN COC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249741 375810316 /nfs/dbraw/zinc/81/03/16/375810316.db2.gz LHCVXGXKSRWKQN-RDBSUJKOSA-N 0 3 283.393 1.097 40 0 CDABHN CN1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 ZINC000257296617 190028797 /nfs/dbraw/zinc/02/87/97/190028797.db2.gz RDOOAQHYHRSWNM-UHFFFAOYSA-N 0 3 257.341 1.751 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409527 390421607 /nfs/dbraw/zinc/42/16/07/390421607.db2.gz QDAGZZYGPUZUSQ-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391230 390421747 /nfs/dbraw/zinc/42/17/47/390421747.db2.gz OIXXQBNTIXMFCY-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN CN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216567 390622236 /nfs/dbraw/zinc/62/22/36/390622236.db2.gz ZCJMLWJMUMLCHN-AWEZNQCLSA-N 0 3 260.385 1.600 40 0 CDABHN NC1(Cc2cc(COc3ccccc3)on2)COC1 ZINC000096296161 393174417 /nfs/dbraw/zinc/17/44/17/393174417.db2.gz LWKUDXRZXANQIB-UHFFFAOYSA-N 0 3 260.293 1.524 40 0 biogenic,in-vitro CDABHN CC(C)N1CCC(CNS(=O)(=O)c2cccnc2)CC1 ZINC000038582571 174148414 /nfs/dbraw/zinc/14/84/14/174148414.db2.gz JJFZLPNLWJHWKB-UHFFFAOYSA-N 0 3 297.424 1.480 40 0 CDABHN NC(=O)CN1CC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000072367886 176382696 /nfs/dbraw/zinc/38/26/96/176382696.db2.gz CJNWREWJJNPTSL-ZDUSSCGKSA-N 0 3 269.348 1.585 40 0 CDABHN C[C@](CO)(NCC(=O)NCC1CCC1)C1CCCCC1 ZINC000077657051 177291558 /nfs/dbraw/zinc/29/15/58/177291558.db2.gz NWZZQEQTALIGEI-MRXNPFEDSA-N 0 3 282.428 1.824 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(CCO)C1 ZINC000079408207 278377438 /nfs/dbraw/zinc/37/74/38/278377438.db2.gz ZIAOAZWYGPMUNF-ZDUSSCGKSA-N 0 3 284.400 1.843 40 0 CDABHN C[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391194 289764111 /nfs/dbraw/zinc/76/41/11/289764111.db2.gz KMGIPIMGCMEZFK-QWRGUYRKSA-N 0 3 285.388 1.239 40 0 CDABHN Cc1cc(C)nc(NCCNCc2ccncc2)n1 ZINC000062717849 327915251 /nfs/dbraw/zinc/91/52/51/327915251.db2.gz DJBFVWUUJZMIAR-UHFFFAOYSA-N 0 3 257.341 1.690 40 0 CDABHN COC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000074713395 567903784 /nfs/dbraw/zinc/90/37/84/567903784.db2.gz WPMCGZOOCITXLW-UHFFFAOYSA-N 0 3 276.336 1.754 40 0 CDABHN Cn1ccc(NC(=O)NC[C@@H]2CCCCN2C2CC2)n1 ZINC000930079848 728519958 /nfs/dbraw/zinc/51/99/58/728519958.db2.gz XOEZYQHVBBFZMY-LBPRGKRZSA-N 0 3 277.372 1.559 40 0 CDABHN c1cc(CN2CCC3(CN(CC4CC4)C3)C2)ccn1 ZINC000096046430 185071420 /nfs/dbraw/zinc/07/14/20/185071420.db2.gz MTFNDCXHRJZAIV-UHFFFAOYSA-N 0 3 257.381 1.999 40 0 CDABHN CCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)CC2 ZINC000096047494 185072700 /nfs/dbraw/zinc/07/27/00/185072700.db2.gz UFVTZYFUKDRUAI-MRXNPFEDSA-N 0 3 290.411 1.787 40 0 CDABHN Fc1ccc(CNC[C@H]2Cn3nncc3CO2)cc1 ZINC000096060997 185082406 /nfs/dbraw/zinc/08/24/06/185082406.db2.gz OPKAOEJOPAPVTL-ZDUSSCGKSA-N 0 3 262.288 1.106 40 0 CDABHN CO[C@@H]1COC[C@@H](CNCc2ccccc2Cl)[C@@H]1O ZINC000585285270 342258625 /nfs/dbraw/zinc/25/86/25/342258625.db2.gz AUUGFORVXQTAEL-BNOWGMLFSA-N 0 3 285.771 1.452 40 0 CDABHN COC[C@H]1CCN(C)C2(CN(Cc3ccccn3)C2)C1 ZINC000248126662 362152701 /nfs/dbraw/zinc/15/27/01/362152701.db2.gz LXWFBLRBMKNSSY-AWEZNQCLSA-N 0 3 275.396 1.624 40 0 CDABHN Cc1ccc(CNC(=O)C2=NO[C@]3(C2)CCCNC3)cc1 ZINC000107067009 186159217 /nfs/dbraw/zinc/15/92/17/186159217.db2.gz JPNSYEDSTXZGCG-INIZCTEOSA-N 0 3 287.363 1.510 40 0 CDABHN C[C@@H](CCc1ccc(O)cc1)N[C@H]1CCN(C)C1=O ZINC000136449214 363079722 /nfs/dbraw/zinc/07/97/22/363079722.db2.gz NNIKQRNRXYDFIM-FZMZJTMJSA-N 0 3 262.353 1.534 40 0 CDABHN CN(C)CCNC(=O)CN1c2cccc3cccc(c23)C1=O ZINC000013672998 356352703 /nfs/dbraw/zinc/35/27/03/356352703.db2.gz NFHGAJKTCPHHAD-UHFFFAOYSA-N 0 3 297.358 1.478 40 0 CDABHN CCN(C[C@@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407981 356990829 /nfs/dbraw/zinc/99/08/29/356990829.db2.gz DZHDEVWNQKHCEV-GFCCVEGCSA-N 0 3 272.389 1.558 40 0 CDABHN CC[N@@H+](Cc1ccccc1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079416081 356995188 /nfs/dbraw/zinc/99/51/88/356995188.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 0 3 276.380 1.915 40 0 CDABHN CC[N@H+](Cc1ccccc1)C[C@H]1CCN(CC(=O)[O-])C1 ZINC000079416081 356995192 /nfs/dbraw/zinc/99/51/92/356995192.db2.gz QRRIBLGLNWNCID-OAHLLOKOSA-N 0 3 276.380 1.915 40 0 CDABHN COc1cccc(OCC(=O)NC2CCN(C)CC2)c1 ZINC000048608928 357193260 /nfs/dbraw/zinc/19/32/60/357193260.db2.gz SJVQQGCTSKMTBC-UHFFFAOYSA-N 0 3 278.352 1.284 40 0 CDABHN N[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@H]1F ZINC000054967347 357327670 /nfs/dbraw/zinc/32/76/70/357327670.db2.gz JREMPGXODKGFEJ-RYUDHWBXSA-N 0 3 252.289 1.694 40 0 CDABHN CN1C[C@@H]2C[C@@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096215383 358721433 /nfs/dbraw/zinc/72/14/33/358721433.db2.gz HSMXHGFHKCTNMU-GMXVVIOVSA-N 0 3 280.393 1.474 40 0 CDABHN OCCN1CCC(F)(F)[C@]2(CCN(c3cnccn3)C2)C1 ZINC000096239819 358724893 /nfs/dbraw/zinc/72/48/93/358724893.db2.gz YEVCYWIWILAQDQ-CYBMUJFWSA-N 0 3 298.337 1.006 40 0 CDABHN O=C(NCCN1CCCCC1)c1ccc2c(c1)OCO2 ZINC000048892446 359226138 /nfs/dbraw/zinc/22/61/38/359226138.db2.gz AWOVEIRDJDEJAJ-UHFFFAOYSA-N 0 3 276.336 1.631 40 0 CDABHN COCCN1CCc2nc(-c3ccsc3)nn2CC1 ZINC000306134772 374970448 /nfs/dbraw/zinc/97/04/48/374970448.db2.gz NXUXRIHXCKBHMB-UHFFFAOYSA-N 0 3 278.381 1.511 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2cnn(C)c2)cc1 ZINC000257205317 190011358 /nfs/dbraw/zinc/01/13/58/190011358.db2.gz AYMQDSIUTDLGKP-INIZCTEOSA-N 0 3 286.379 1.575 40 0 CDABHN Cn1ccnc1-c1cncc(C2CCN(C)CC2)n1 ZINC000257239652 190017786 /nfs/dbraw/zinc/01/77/86/190017786.db2.gz HQGLMAHMBYPEGW-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN CO[C@H]1CN(Cc2ccncc2C)C[C@@]12CCCO2 ZINC000257264754 190023196 /nfs/dbraw/zinc/02/31/96/190023196.db2.gz LVXDNCMMABOAJT-GJZGRUSLSA-N 0 3 262.353 1.770 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000257290940 190027447 /nfs/dbraw/zinc/02/74/47/190027447.db2.gz QEZKOYZANUUZHY-CQSZACIVSA-N 0 3 284.306 1.103 40 0 CDABHN CNC(=O)[C@@]1(CCCc2cnccn2)CCCN1C ZINC000257318559 190033841 /nfs/dbraw/zinc/03/38/41/190033841.db2.gz VOLJIRKAVRFYIF-CQSZACIVSA-N 0 3 262.357 1.010 40 0 CDABHN CCCNc1ncc(CNCCCN2CCOCC2)cn1 ZINC000062718466 256720573 /nfs/dbraw/zinc/72/05/73/256720573.db2.gz ZWXQJHJBUPAWIV-UHFFFAOYSA-N 0 3 293.415 1.110 40 0 CDABHN CN1C(=O)C(c2ccc(F)cc2)=N[C@]12CCCNC2 ZINC000096516443 390533856 /nfs/dbraw/zinc/53/38/56/390533856.db2.gz SUBVPEQORWRIDO-CQSZACIVSA-N 0 3 261.300 1.167 40 0 CDABHN CN1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1 ZINC000072216356 390620937 /nfs/dbraw/zinc/62/09/37/390620937.db2.gz SWJQOOXJCRPJOU-CQSZACIVSA-N 0 3 260.385 1.648 40 0 CDABHN CN1CCCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216356 390620942 /nfs/dbraw/zinc/62/09/42/390620942.db2.gz SWJQOOXJCRPJOU-CQSZACIVSA-N 0 3 260.385 1.648 40 0 CDABHN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514288581 390882287 /nfs/dbraw/zinc/88/22/87/390882287.db2.gz CWNHBTYVNWMCLU-HIFRSBDPSA-N 0 3 290.338 1.895 40 0 biogenic,in-vitro CDABHN CCn1nccc1-c1cnc(C[C@H]2CCN(C)C2)cn1 ZINC000257322741 391649561 /nfs/dbraw/zinc/64/95/61/391649561.db2.gz WHEUYIYEKZHEQK-GFCCVEGCSA-N 0 3 271.368 1.854 40 0 CDABHN COc1ccc(OC)c2c(N3CCNCC3)cc(C)nc12 ZINC000032500242 392222623 /nfs/dbraw/zinc/22/26/23/392222623.db2.gz CJGXVQQCXZXIHP-UHFFFAOYSA-N 0 3 287.363 1.970 40 0 CDABHN Cc1ccc(OCC(=O)NCCN(C)C)cc1C ZINC000005547098 170111712 /nfs/dbraw/zinc/11/17/12/170111712.db2.gz DGOBAFKQEPQLHP-UHFFFAOYSA-N 0 3 250.342 1.360 40 0 CDABHN Cc1cccc(O[C@@H](C)C(=O)NCCN(C)C)c1C ZINC000020460581 171209271 /nfs/dbraw/zinc/20/92/71/171209271.db2.gz NOLRCWSQOUQODR-ZDUSSCGKSA-N 0 3 264.369 1.749 40 0 CDABHN CNCS(=O)(=O)c1ccc2[nH]cc(CCN(C)C)c2c1 ZINC000021983779 171344646 /nfs/dbraw/zinc/34/46/46/171344646.db2.gz YRZSBHPYAXTOFI-UHFFFAOYSA-N 0 3 295.408 1.223 40 0 CDABHN NC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000022214366 171374705 /nfs/dbraw/zinc/37/47/05/171374705.db2.gz BWUAYKBWBVGGBH-LBPRGKRZSA-N 0 3 290.285 1.917 40 0 CDABHN COc1cc(OC)c([C@H](CN)N2CCOCC2)c(OC)c1 ZINC000037376724 173164993 /nfs/dbraw/zinc/16/49/93/173164993.db2.gz PSKRLELIWZGQBO-LBPRGKRZSA-N 0 3 296.367 1.044 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1c(F)cccc1F ZINC000072397607 176394860 /nfs/dbraw/zinc/39/48/60/176394860.db2.gz YBWGFWOFSBBTQN-SDDRHHMPSA-N 0 3 282.334 1.604 40 0 CDABHN CC1(C)O[C@H]2O[C@H](CN3CCCCCC3)[C@H](O)[C@H]2O1 ZINC000022115913 276157020 /nfs/dbraw/zinc/15/70/20/276157020.db2.gz ARLIKICZPKLEDW-YVECIDJPSA-N 0 3 271.357 1.100 40 0 CDABHN C/C=C/C(=O)N1CCCSC[C@H]1CN1CCCC1 ZINC000085473155 276834858 /nfs/dbraw/zinc/83/48/58/276834858.db2.gz NEGKQGQBHBOVEP-ZABGRMTBSA-N 0 3 268.426 1.992 40 0 CDABHN Cc1c[nH]nc1[C@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000072364561 280284564 /nfs/dbraw/zinc/28/45/64/280284564.db2.gz FXRPSZBHCRPICW-CYBMUJFWSA-N 0 3 276.384 1.723 40 0 CDABHN CN(C)C[C@@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000085470105 289203418 /nfs/dbraw/zinc/20/34/18/289203418.db2.gz ANUWSDMQBRZDGN-CYBMUJFWSA-N 0 3 296.798 1.672 40 0 CDABHN CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000097953831 529929100 /nfs/dbraw/zinc/92/91/00/529929100.db2.gz QHPNTTOFLJSZIG-ZNMIVQPWSA-N 0 3 274.364 1.412 40 0 CDABHN c1ccc(O[C@H]2COCCN(C3CCOCC3)C2)cc1 ZINC000085435975 179063181 /nfs/dbraw/zinc/06/31/81/179063181.db2.gz DXMNRILDMFCSRW-MRXNPFEDSA-N 0 3 277.364 1.945 40 0 biogenic,in-vitro CDABHN COCCN1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785543 186190418 /nfs/dbraw/zinc/19/04/18/186190418.db2.gz QFUGTLDKZSMHCV-HUUCEWRRSA-N 0 3 278.352 1.340 40 0 CDABHN CCOC(=O)C[C@H]1NCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000004203238 356021460 /nfs/dbraw/zinc/02/14/60/356021460.db2.gz JWIFFLUEVLMGJF-WDEREUQCSA-N 0 3 286.372 1.585 40 0 CDABHN c1cncc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019339429 356480439 /nfs/dbraw/zinc/48/04/39/356480439.db2.gz VSDOWXALJROHMY-INIZCTEOSA-N 0 3 295.390 1.854 40 0 CDABHN Nc1nc(CN2CCN(CC3CC3)CC2)cs1 ZINC000042490392 357069634 /nfs/dbraw/zinc/06/96/34/357069634.db2.gz QGEGZMYNITVTRN-UHFFFAOYSA-N 0 3 252.387 1.253 40 0 CDABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccncc2)cn1 ZINC000096184601 358714287 /nfs/dbraw/zinc/71/42/87/358714287.db2.gz PCKAUMBNIGDFOA-SJORKVTESA-N 0 3 297.406 1.664 40 0 CDABHN Cc1ccccc1N1C[C@]2(CCN(CCO)C2)CC1=O ZINC000096239426 358724919 /nfs/dbraw/zinc/72/49/19/358724919.db2.gz WEPAXOOTBSFMOL-MRXNPFEDSA-N 0 3 274.364 1.416 40 0 CDABHN O=C(c1ccco1)N1CC[C@H]2CN(CC3CC3)C[C@H]21 ZINC000096246057 358725581 /nfs/dbraw/zinc/72/55/81/358725581.db2.gz HMOGFPKPYGOXFR-QWHCGFSZSA-N 0 3 260.337 1.836 40 0 CDABHN CSc1nc(Cl)cc(N2CCN[C@H](C)C2)n1 ZINC000072203131 359048047 /nfs/dbraw/zinc/04/80/47/359048047.db2.gz NBDWGVJEIIFSPF-SSDOTTSWSA-N 0 3 258.778 1.650 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391255 284227264 /nfs/dbraw/zinc/22/72/64/284227264.db2.gz QNWJMVNHRLAWEA-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3)n2)cn1 ZINC000049155083 373981275 /nfs/dbraw/zinc/98/12/75/373981275.db2.gz MLMWPBVONDSNKZ-NSHDSACASA-N 0 3 289.339 1.614 40 0 biogenic,in-vitro CDABHN Cn1cc(CNC[C@H]2CCCO2)c(C(F)(F)F)n1 ZINC000256053943 190004813 /nfs/dbraw/zinc/00/48/13/190004813.db2.gz UGUGTFMKIVEIGR-SECBINFHSA-N 0 3 263.263 1.708 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000257229759 190016066 /nfs/dbraw/zinc/01/60/66/190016066.db2.gz FZKFXBLWLYCAGO-FDMDGMSGSA-N 0 3 274.364 1.225 40 0 CDABHN Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257253013 190020927 /nfs/dbraw/zinc/02/09/27/190020927.db2.gz JXFZUYAFAUABJV-LBPRGKRZSA-N 0 3 259.357 1.896 40 0 CDABHN CN(c1ccccc1)[C@H]1COC2(C1)CCN(CCO)CC2 ZINC000257272675 190024500 /nfs/dbraw/zinc/02/45/00/190024500.db2.gz NDJVPKGCXAMKIS-MRXNPFEDSA-N 0 3 290.407 1.739 40 0 CDABHN Cc1nn(CC(=O)N2CCN3CCC[C@@H]3C2)cc1Cl ZINC000002776607 378053323 /nfs/dbraw/zinc/05/33/23/378053323.db2.gz ZSDQQBADYBLHBK-LLVKDONJSA-N 0 3 282.775 1.152 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 ZINC000096249557 256834789 /nfs/dbraw/zinc/83/47/89/256834789.db2.gz PKGFRYDXLLYEED-TZMCWYRMSA-N 0 3 294.420 1.470 40 0 CDABHN CN1CCN(c2ccc([C@H]3CCCCN3C)cn2)CC1 ZINC000072216537 390620835 /nfs/dbraw/zinc/62/08/35/390620835.db2.gz XRVZVLATRZIVIU-OAHLLOKOSA-N 0 3 274.412 1.990 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687316 391944969 /nfs/dbraw/zinc/94/49/69/391944969.db2.gz UEVQFQHLXDQCMU-WDEREUQCSA-N 0 3 263.293 1.234 40 0 CDABHN CN[C@H](CO)c1cc(Br)ccc1OC ZINC000038121346 174128485 /nfs/dbraw/zinc/12/84/85/174128485.db2.gz IVSLNIKPZVERDT-SECBINFHSA-N 0 3 260.131 1.711 40 0 CDABHN Brc1ccc(C[C@@H]2CNCCO2)cc1 ZINC000071577316 176205527 /nfs/dbraw/zinc/20/55/27/176205527.db2.gz WHCQUFGJLIZABU-LLVKDONJSA-N 0 3 256.143 1.980 40 0 CDABHN CCOC[C@H]1CN(CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059851 276334417 /nfs/dbraw/zinc/33/44/17/276334417.db2.gz QGGFIDAZRLJOGX-OAHLLOKOSA-N 0 3 293.411 1.782 40 0 CDABHN CN1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096107934 277124112 /nfs/dbraw/zinc/12/41/12/277124112.db2.gz DTRBNXWHPKSOOA-DZGCQCFKSA-N 0 3 264.344 1.588 40 0 CDABHN CCCN(CCN1CCCCCC1)S(=O)(=O)NC ZINC000331987363 278789165 /nfs/dbraw/zinc/78/91/65/278789165.db2.gz NCWXSBZZJCDCKL-UHFFFAOYSA-N 0 3 277.434 1.039 40 0 CDABHN CCOc1cc([C@@H](N)c2n[nH]c(C)n2)ccc1OC ZINC000095534355 185006138 /nfs/dbraw/zinc/00/61/38/185006138.db2.gz LTPVBNGDSAOBDP-GFCCVEGCSA-N 0 3 262.313 1.569 40 0 CDABHN COC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096038978 185068710 /nfs/dbraw/zinc/06/87/10/185068710.db2.gz QDVIMXPIVJKTEN-HUUCEWRRSA-N 0 3 279.384 1.438 40 0 CDABHN COCCN1CC[C@@H]2O[C@@H](c3nnc(C4CC4)o3)C[C@H]2C1 ZINC000096045983 185071339 /nfs/dbraw/zinc/07/13/39/185071339.db2.gz WNTWQEXPCHLDBX-RWMBFGLXSA-N 0 3 293.367 1.745 40 0 CDABHN O=C1CC[C@@]2(CCCN(Cc3ccccn3)CC2)N1 ZINC000096047456 185073067 /nfs/dbraw/zinc/07/30/67/185073067.db2.gz HBYWYXQQDJTYRG-OAHLLOKOSA-N 0 3 259.353 1.716 40 0 CDABHN Cn1cc2c(n1)[C@H](CNCc1cccs1)OCC2 ZINC000096059672 185080876 /nfs/dbraw/zinc/08/08/76/185080876.db2.gz NZPNJYSBVAEFDC-LBPRGKRZSA-N 0 3 263.366 1.885 40 0 CDABHN CN(C)C[C@@H]1CN(C(=O)c2cccnc2)Cc2cncn21 ZINC000248070909 282127334 /nfs/dbraw/zinc/12/73/34/282127334.db2.gz AVQCMTILDCYTMU-CQSZACIVSA-N 0 3 285.351 1.037 40 0 CDABHN CC(C)(C)OC(=O)N1CCC([C@H]2COCCN2)CC1 ZINC000096945326 185136194 /nfs/dbraw/zinc/13/61/94/185136194.db2.gz WQEJFFVFCYYKOX-GFCCVEGCSA-N 0 3 270.373 1.622 40 0 CDABHN CO[C@]1(COc2ccc(F)cc2)CCN(CCO)C1 ZINC000585273927 342255905 /nfs/dbraw/zinc/25/59/05/342255905.db2.gz GSXIQXFQGODKOK-CQSZACIVSA-N 0 3 269.316 1.288 40 0 CDABHN CN1CCN(Cc2cccs2)C[C@@]2(CCCC(=O)N2)C1 ZINC000248093032 362149590 /nfs/dbraw/zinc/14/95/90/362149590.db2.gz WJVRXZLBNFFSDE-OAHLLOKOSA-N 0 3 293.436 1.534 40 0 CDABHN CCN1C[C@H](NC(=O)NCc2cccnc2C)[C@@H](C)C1 ZINC000623743281 345452400 /nfs/dbraw/zinc/45/24/00/345452400.db2.gz OLBQYWDGSMBIID-FZMZJTMJSA-N 0 3 276.384 1.529 40 0 CDABHN CCC(=O)N1CCC[C@@H]1c1nc(CNC)cc(NC)n1 ZINC000019759259 345470538 /nfs/dbraw/zinc/47/05/38/345470538.db2.gz GZAKPFSTERPMSF-LLVKDONJSA-N 0 3 277.372 1.311 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000157428004 188316827 /nfs/dbraw/zinc/31/68/27/188316827.db2.gz JJOWOVLCKLXQBM-CMPLNLGQSA-N 0 3 252.314 1.134 40 0 CDABHN O=C(CN[C@H]1CCCSC1)NC1CCCCC1 ZINC000167462837 363245821 /nfs/dbraw/zinc/24/58/21/363245821.db2.gz OWBGULDHZXYTQG-LBPRGKRZSA-N 0 3 256.415 1.921 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527286 356490663 /nfs/dbraw/zinc/49/06/63/356490663.db2.gz INMVWTHYUPKDFG-LLVKDONJSA-N 0 3 276.384 1.503 40 0 CDABHN CCN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404216 356989450 /nfs/dbraw/zinc/98/94/50/356989450.db2.gz FGPBFSWYEDBUFL-INIZCTEOSA-N 0 3 289.423 1.848 40 0 CDABHN c1cncc(CO[C@H]2CN([C@H]3CCOC3)[C@@H]3COC[C@H]23)c1 ZINC000096185076 358714222 /nfs/dbraw/zinc/71/42/22/358714222.db2.gz ATODGBHDLSAECW-JONQDZQNSA-N 0 3 290.363 1.086 40 0 CDABHN NC[C@H]1CCN(c2ccc(F)c(Cl)c2)S1(=O)=O ZINC000222544403 359352846 /nfs/dbraw/zinc/35/28/46/359352846.db2.gz XTZXEKWJSLSTCU-MRVPVSSYSA-N 0 3 278.736 1.346 40 0 CDABHN NC[C@@H]1CCN(Cc2cccc3ccccc32)S1(=O)=O ZINC000222539481 359353156 /nfs/dbraw/zinc/35/31/56/359353156.db2.gz VVSSHZWQJIEXCK-AWEZNQCLSA-N 0 3 290.388 1.703 40 0 CDABHN CCN(CC)CC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000026955093 360013256 /nfs/dbraw/zinc/01/32/56/360013256.db2.gz YGGLFHOODWPAAV-HNNXBMFYSA-N 0 3 276.380 1.758 40 0 CDABHN NC[C@H](c1ccccc1OC(F)(F)F)N1CCOCC1 ZINC000019254762 374705974 /nfs/dbraw/zinc/70/59/74/374705974.db2.gz LCZGKZFCSMWXEN-LLVKDONJSA-N 0 3 290.285 1.917 40 0 CDABHN c1cn2ccnc(N3CCN(CC4CC4)CC3)c2n1 ZINC000306144864 374971522 /nfs/dbraw/zinc/97/15/22/374971522.db2.gz ZQWDNVLJFYAJAD-UHFFFAOYSA-N 0 3 257.341 1.261 40 0 CDABHN CCCn1nc(C)cc1CNCCCN1CCOCC1 ZINC000256052077 190004324 /nfs/dbraw/zinc/00/43/24/190004324.db2.gz LUYRYIXDIBIPBN-UHFFFAOYSA-N 0 3 280.416 1.413 40 0 CDABHN CNCc1cnc(I)cc1C ZINC000072225995 390626201 /nfs/dbraw/zinc/62/62/01/390626201.db2.gz BTPWBRJQQSDCCT-UHFFFAOYSA-N 0 3 262.094 1.714 40 0 CDABHN CCn1ncc2c1[C@H](COC)CN(CC1CCOCC1)C2 ZINC000096060167 390912225 /nfs/dbraw/zinc/91/22/25/390912225.db2.gz YBRPUZGRFWIHCW-HNNXBMFYSA-N 0 3 293.411 1.875 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096047928 390912372 /nfs/dbraw/zinc/91/23/72/390912372.db2.gz PMLQXELTDZIKDP-GFCCVEGCSA-N 0 3 262.357 1.166 40 0 CDABHN CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)c3ccco3)C[C@@H]21 ZINC000096056231 390912382 /nfs/dbraw/zinc/91/23/82/390912382.db2.gz SLTWTSBEUDSEAJ-SGMGOOAPSA-N 0 3 278.352 1.318 40 0 CDABHN CN(C)CCNC(=O)CCn1ncc2c1cccc2Cl ZINC000040769120 392000003 /nfs/dbraw/zinc/00/00/03/392000003.db2.gz XTOWZOGVAHIECU-UHFFFAOYSA-N 0 3 294.786 1.758 40 0 CDABHN O=C1O[C@]2(CN1c1ccc(F)cc1)CNCCOC2 ZINC000257317595 392978096 /nfs/dbraw/zinc/97/80/96/392978096.db2.gz VKKXCRNWTRBFSH-ZDUSSCGKSA-N 0 3 266.272 1.141 40 0 CDABHN CCn1cc(C(=O)N2CCN3CCC[C@@H]3C2)c(C)n1 ZINC000005962265 170163925 /nfs/dbraw/zinc/16/39/25/170163925.db2.gz ZKZKGXIDAWIAAY-GFCCVEGCSA-N 0 3 262.357 1.132 40 0 CDABHN C[C@@H]1CN(CCOc2ccccc2)[C@H](C)CN1CCO ZINC000022584714 171392367 /nfs/dbraw/zinc/39/23/67/171392367.db2.gz CERXAIIVWSSCFY-HUUCEWRRSA-N 0 3 278.396 1.452 40 0 CDABHN COC(=O)c1cc2c(ccn(CCN(C)C)c2=O)nc1C ZINC000038784160 174155423 /nfs/dbraw/zinc/15/54/23/174155423.db2.gz JKFREGAJJQBGKN-UHFFFAOYSA-N 0 3 289.335 1.053 40 0 CDABHN CC[C@@H](Oc1ccccc1C)C(=O)NCCN(C)C ZINC000044902630 175274373 /nfs/dbraw/zinc/27/43/73/175274373.db2.gz MZLJZLNNRAJDDA-CYBMUJFWSA-N 0 3 264.369 1.830 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000339470984 276171218 /nfs/dbraw/zinc/17/12/18/276171218.db2.gz KQWCSSHIRQMCBG-MGPQQGTHSA-N 0 3 295.427 1.282 40 0 CDABHN Cc1noc(C)c1CN1CCCc2c(c(=O)n(C)n2C)C1 ZINC000096070102 185085428 /nfs/dbraw/zinc/08/54/28/185085428.db2.gz OJSRSMJOCGDHCD-UHFFFAOYSA-N 0 3 290.367 1.277 40 0 CDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@@H]2OC ZINC000096109416 185099471 /nfs/dbraw/zinc/09/94/71/185099471.db2.gz YGXOIRMOJABJFT-XHSDSOJGSA-N 0 3 294.395 1.447 40 0 CDABHN CNCC(=O)N1CCC[C@H](OC)[C@@H]1Cc1ccccc1F ZINC000585273831 342256177 /nfs/dbraw/zinc/25/61/77/342256177.db2.gz FEXKFSOSUXPQDD-GJZGRUSLSA-N 0 3 294.370 1.594 40 0 CDABHN NC(=O)CC[C@]1(O)CCCN(Cc2ccccc2)C1 ZINC000585277399 342256317 /nfs/dbraw/zinc/25/63/17/342256317.db2.gz VZNHWOOYGOJBBL-OAHLLOKOSA-N 0 3 262.353 1.279 40 0 CDABHN Cc1ccc(OC[C@]2(O)COCCN(C3CCC3)C2)cc1 ZINC000585284283 342258661 /nfs/dbraw/zinc/25/86/61/342258661.db2.gz WOGSNWUXCVHXBM-QGZVFWFLSA-N 0 3 291.391 1.990 40 0 CDABHN CN(CC(=O)N1CC[C@H](O)[C@]2(CCCO2)C1)C1CCCC1 ZINC000257205240 362576826 /nfs/dbraw/zinc/57/68/26/362576826.db2.gz AYEIKLVTEYDBBL-HOCLYGCPSA-N 0 3 296.411 1.003 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000039375583 356972237 /nfs/dbraw/zinc/97/22/37/356972237.db2.gz DIQUVKBEJJCUCP-AAEUAGOBSA-N 0 3 276.336 1.068 40 0 CDABHN C[C@H](N)C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409549 356992271 /nfs/dbraw/zinc/99/22/71/356992271.db2.gz VERLQVKBUXONRE-QWRGUYRKSA-N 0 3 285.388 1.049 40 0 CDABHN CSc1cccc(N2CC[C@@H](CN)S2(=O)=O)c1 ZINC000222545062 359352752 /nfs/dbraw/zinc/35/27/52/359352752.db2.gz HRJJYVJKSXIUIU-NSHDSACASA-N 0 3 272.395 1.276 40 0 CDABHN Cc1ccc([O-])c(C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000049560369 364079584 /nfs/dbraw/zinc/07/95/84/364079584.db2.gz DSXMVWXLZQMDGY-LLVKDONJSA-N 0 3 250.342 1.771 40 0 CDABHN CCOc1ccccc1[C@H](CN)N1CCOCC1 ZINC000019796162 375501069 /nfs/dbraw/zinc/50/10/69/375501069.db2.gz PMYITPIUQZNTRP-ZDUSSCGKSA-N 0 3 250.342 1.417 40 0 CDABHN O[C@H](CNC1CC1)c1ncccc1Br ZINC000217530490 375663664 /nfs/dbraw/zinc/66/36/64/375663664.db2.gz LYDKFXBAHAKAOP-SECBINFHSA-N 0 3 257.131 1.630 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2cnn(C)c2)cc1 ZINC000257205318 190011244 /nfs/dbraw/zinc/01/12/44/190011244.db2.gz AYMQDSIUTDLGKP-MRXNPFEDSA-N 0 3 286.379 1.575 40 0 CDABHN CN(C)Cc1c[nH]c([C@H]2CCN(Cc3cncs3)C2)n1 ZINC000257205195 190011843 /nfs/dbraw/zinc/01/18/43/190011843.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 0 3 291.424 1.917 40 0 CDABHN CN(C)Cc1cnc([C@H]2CCN(Cc3cncs3)C2)[nH]1 ZINC000257205195 190011844 /nfs/dbraw/zinc/01/18/44/190011844.db2.gz AYAOZFHTKARGNR-NSHDSACASA-N 0 3 291.424 1.917 40 0 CDABHN c1cnc([N-]c2cnc([C@H]3CCC[NH2+]C3)cn2)nc1 ZINC000257337341 190036134 /nfs/dbraw/zinc/03/61/34/190036134.db2.gz YSKVWCXJPBQTMB-JTQLQIEISA-N 0 3 256.313 1.477 40 0 CDABHN CC(C)N(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404258 390421779 /nfs/dbraw/zinc/42/17/79/390421779.db2.gz MSXANNZUDCQRGW-INIZCTEOSA-N 0 3 289.423 1.847 40 0 CDABHN N[C@H](CSc1ccccc1)CC(=O)N1CCOCC1 ZINC000098181681 391248660 /nfs/dbraw/zinc/24/86/60/391248660.db2.gz GRCXARDDTSJXTN-LBPRGKRZSA-N 0 3 280.393 1.355 40 0 CDABHN CO[C@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000247917658 391423278 /nfs/dbraw/zinc/42/32/78/391423278.db2.gz ZPZJWMRQJRONOB-AWEZNQCLSA-N 0 3 250.342 1.498 40 0 CDABHN c1cnc(N2CCC3(CN(C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096070842 285543727 /nfs/dbraw/zinc/54/37/27/285543727.db2.gz LTLBKVHSKUGBQP-ZDUSSCGKSA-N 0 3 274.368 1.025 40 0 CDABHN CC(C)Nc1nc(NCCO)nc(N2CCCCC2)n1 ZINC000005000671 170053000 /nfs/dbraw/zinc/05/30/00/170053000.db2.gz LWBUIWVCVCKJSU-UHFFFAOYSA-N 0 3 280.376 1.086 40 0 CDABHN CCN(CC)CCn1c2ccccc2c(=O)n(C)c1=O ZINC000005477031 170103044 /nfs/dbraw/zinc/10/30/44/170103044.db2.gz CDACKPBGFHUKOD-UHFFFAOYSA-N 0 3 275.352 1.042 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccc(F)cc2)C[C@H](C)O1 ZINC000022161870 171364349 /nfs/dbraw/zinc/36/43/49/171364349.db2.gz LKAVRIRVSFRCHU-WDMOLILDSA-N 0 3 252.333 1.935 40 0 CDABHN COCCN1CCC(NC(=O)c2ccccc2C)CC1 ZINC000049142891 175465277 /nfs/dbraw/zinc/46/52/77/175465277.db2.gz LPKHYINRBMPQNW-UHFFFAOYSA-N 0 3 276.380 1.836 40 0 CDABHN Cc1cn[nH]c1[C@@H]1CCCN1C(=O)Cn1ccnc1 ZINC000072366160 176380972 /nfs/dbraw/zinc/38/09/72/176380972.db2.gz VIWWGGULMPOMKP-NSHDSACASA-N 0 3 259.313 1.278 40 0 CDABHN CC(C)Nc1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000062717609 262302559 /nfs/dbraw/zinc/30/25/59/262302559.db2.gz MOJOZSNEGCXJIY-LBPRGKRZSA-N 0 3 250.346 1.566 40 0 CDABHN COc1ncccc1CNC1CCC2(CCC(=O)N2)CC1 ZINC000096075808 278095671 /nfs/dbraw/zinc/09/56/71/278095671.db2.gz FZXIEZDZCGSFJV-UHFFFAOYSA-N 0 3 289.379 1.771 40 0 CDABHN Cc1cn[nH]c1[C@H]1COCCN1C1CCOCC1 ZINC000257250293 302330283 /nfs/dbraw/zinc/33/02/83/302330283.db2.gz JLXVSDLDBMJCBO-GFCCVEGCSA-N 0 3 251.330 1.270 40 0 CDABHN CC(C)N1CCC[C@H](N[C@]23C[C@H]2COC32CCC2)C1=O ZINC000933391721 617413525 /nfs/dbraw/zinc/41/35/25/617413525.db2.gz FYDYLTVDHGCSNN-HEHGZKQESA-N 0 3 278.396 1.687 40 0 CDABHN CCOC(=O)C[C@H](N)Cc1cc(F)c(F)cc1F ZINC000116755163 342046537 /nfs/dbraw/zinc/04/65/37/342046537.db2.gz SCAQGFRAYMMTNM-MRVPVSSYSA-N 0 3 261.243 1.927 40 0 CDABHN c1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000096054997 185075617 /nfs/dbraw/zinc/07/56/17/185075617.db2.gz GIIGNWXDMJMFCV-IAGOWNOFSA-N 0 3 287.407 1.767 40 0 CDABHN Cc1nc(COC[C@@H]2CNCc3nccn3C2)cs1 ZINC000096059151 185079558 /nfs/dbraw/zinc/07/95/58/185079558.db2.gz CEFYNIYSYDXNSF-LLVKDONJSA-N 0 3 278.381 1.584 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096107929 185099995 /nfs/dbraw/zinc/09/99/95/185099995.db2.gz ACWWOEXVLBACND-DZGCQCFKSA-N 0 3 292.354 1.157 40 0 CDABHN CO[C@]1(COc2ccc(C)cc2)CCCN(C(=O)CN)C1 ZINC000585273349 342255859 /nfs/dbraw/zinc/25/58/59/342255859.db2.gz CGOYDRJTUKZPAI-MRXNPFEDSA-N 0 3 292.379 1.340 40 0 CDABHN c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)nc1 ZINC000107747280 186189500 /nfs/dbraw/zinc/18/95/00/186189500.db2.gz JMZBQEXKEWXMMM-KKUMJFAQSA-N 0 3 289.379 1.745 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108535801 186222609 /nfs/dbraw/zinc/22/26/09/186222609.db2.gz RBLNWRQCEDSKPF-UKRRQHHQSA-N 0 3 276.384 1.158 40 0 CDABHN CO[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000154280481 188133408 /nfs/dbraw/zinc/13/34/08/188133408.db2.gz RUIVMNUILOZVJK-KGLIPLIRSA-N 0 3 262.353 1.194 40 0 CDABHN CCOC(=O)c1c(C)[nH]c(C(=O)CCN(C)C)c1C ZINC000001561740 355938843 /nfs/dbraw/zinc/93/88/43/355938843.db2.gz HMSVQXZCCQEPIA-UHFFFAOYSA-N 0 3 266.341 1.943 40 0 CDABHN OC[C@@H]1CCCN(Cc2ccnc(-c3ccncc3)n2)C1 ZINC000019405933 356485158 /nfs/dbraw/zinc/48/51/58/356485158.db2.gz BRFMGIFYRIRRDH-CYBMUJFWSA-N 0 3 284.363 1.743 40 0 CDABHN C[C@H](N)C(=O)N(C)Cc1ccccc1Br ZINC000037798069 356932472 /nfs/dbraw/zinc/93/24/72/356932472.db2.gz TWOKCCYKHBGRRB-QMMMGPOBSA-N 0 3 271.158 1.755 40 0 CDABHN C[C@H](N)C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000079409508 356992724 /nfs/dbraw/zinc/99/27/24/356992724.db2.gz KPXYIRGRIDKXAS-JTQLQIEISA-N 0 3 285.388 1.097 40 0 CDABHN Cc1ccc(Cn2nc3c(cc2=O)CNCC3)cc1 ZINC000063169735 358569720 /nfs/dbraw/zinc/56/97/20/358569720.db2.gz SLERDVUDJKDQEZ-UHFFFAOYSA-N 0 3 255.321 1.246 40 0 CDABHN COCCN1CC2(CCN(Cc3ccccn3)CC2)C1=O ZINC000096202837 358718816 /nfs/dbraw/zinc/71/88/16/358718816.db2.gz SIRGSNUHYHOGSX-UHFFFAOYSA-N 0 3 289.379 1.152 40 0 CDABHN CS(=O)(=O)N1CCC[C@]12CCCN(CC1CC1)C2 ZINC000096214933 358721185 /nfs/dbraw/zinc/72/11/85/358721185.db2.gz DTRJMHNIZBJPEW-ZDUSSCGKSA-N 0 3 272.414 1.286 40 0 CDABHN O=C1NC2(C[C@@H]1c1ccccc1)CCN(CCO)CC2 ZINC000096261136 358729488 /nfs/dbraw/zinc/72/94/88/358729488.db2.gz NMTMIMHWZYLSHX-CQSZACIVSA-N 0 3 274.364 1.117 40 0 CDABHN O=C(c1cc(C(F)(F)F)n[nH]1)N1CCN2CCC[C@H]2C1 ZINC000028233029 359493085 /nfs/dbraw/zinc/49/30/85/359493085.db2.gz DZBXGWZQHYIHFT-QMMMGPOBSA-N 0 3 288.273 1.349 40 0 CDABHN CS[C@H]1CCC[C@@H]1N(C)CC(=O)N(C)C1CC1 ZINC000076147576 367003090 /nfs/dbraw/zinc/00/30/90/367003090.db2.gz KCPWTQJIEKOVMT-RYUDHWBXSA-N 0 3 256.415 1.823 40 0 CDABHN CN(C)CCNCc1cn(C)nc1C(F)(F)F ZINC000256049816 190003327 /nfs/dbraw/zinc/00/33/27/190003327.db2.gz BNZYEMWBMLSXRO-UHFFFAOYSA-N 0 3 250.268 1.090 40 0 CDABHN C[C@@H]1CN(c2cnc(CC3CCN(C)CC3)cn2)C(=O)O1 ZINC000257207943 190012457 /nfs/dbraw/zinc/01/24/57/190012457.db2.gz BKABBUNWENGYBW-LLVKDONJSA-N 0 3 290.367 1.706 40 0 CDABHN COc1ccc([C@@H]2CN(C)C[C@@H]2CO)cc1OC ZINC000217674245 375703125 /nfs/dbraw/zinc/70/31/25/375703125.db2.gz XHXDOFSAVHGMOV-NEPJUHHUSA-N 0 3 251.326 1.341 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C1 ZINC000257248108 190020210 /nfs/dbraw/zinc/02/02/10/190020210.db2.gz JCDLILDSSVNRBO-INIZCTEOSA-N 0 3 276.380 1.144 40 0 CDABHN COCC(=O)N1CCO[C@@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257256352 190021572 /nfs/dbraw/zinc/02/15/72/190021572.db2.gz KLBSTSQLFBKXAD-CQSZACIVSA-N 0 3 293.367 1.002 40 0 CDABHN CCn1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263751 190022746 /nfs/dbraw/zinc/02/27/46/190022746.db2.gz LRHGHAMJOYBGAB-CYBMUJFWSA-N 0 3 259.357 1.924 40 0 CDABHN COCCN1CCC(C)(c2ncc(C(N)=O)s2)CC1 ZINC000257305455 190030935 /nfs/dbraw/zinc/03/09/35/190030935.db2.gz SQBYUCKGKSWZPB-UHFFFAOYSA-N 0 3 283.397 1.242 40 0 CDABHN CCN(CC)C(=O)[C@@H]1CCCN1[C@@H](CN)C(F)(F)F ZINC000096529445 390540620 /nfs/dbraw/zinc/54/06/20/390540620.db2.gz AKCHINCQNYUUKT-UWVGGRQHSA-N 0 3 281.322 1.209 40 0 CDABHN CCSc1ncc(CNCCN2CCOCC2)cn1 ZINC000062718354 391574346 /nfs/dbraw/zinc/57/43/46/391574346.db2.gz FZLLNMOCQFJSQT-UHFFFAOYSA-N 0 3 282.413 1.010 40 0 CDABHN CN(C)C(=O)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000306144758 392105033 /nfs/dbraw/zinc/10/50/33/392105033.db2.gz ZNUBMQKQYRTPFX-ZDUSSCGKSA-N 0 3 277.372 1.017 40 0 CDABHN CC(C)n1c(=O)c2cnccc2nc1[C@@H]1CCCN1 ZINC000252489436 392794894 /nfs/dbraw/zinc/79/48/94/392794894.db2.gz JRCDUZKTGUEYAO-LBPRGKRZSA-N 0 3 258.325 1.797 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2C2(CCCCC2)N1 ZINC000022225465 171379950 /nfs/dbraw/zinc/37/99/50/171379950.db2.gz BSAZROZRHPSQEJ-UHFFFAOYSA-N 0 3 283.335 1.754 40 0 CDABHN CNC(=O)[C@@H]1CN(C(C)C)CCN1CCc1ccccc1 ZINC000072368696 176383659 /nfs/dbraw/zinc/38/36/59/176383659.db2.gz NRWONRPQMIBPKN-INIZCTEOSA-N 0 3 289.423 1.370 40 0 CDABHN OCCN1CCC[C@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381320 176387770 /nfs/dbraw/zinc/38/77/70/176387770.db2.gz PEFAIGUWLIYXCS-QMMMGPOBSA-N 0 3 263.263 1.600 40 0 CDABHN CCOc1ccccc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000072397573 176394907 /nfs/dbraw/zinc/39/49/07/176394907.db2.gz YHFBDIDDXVRNDG-NUEKZKHPSA-N 0 3 290.407 1.725 40 0 CDABHN NC(=[NH2+])[N-]C(=O)C1c2ccccc2Cc2ccccc21 ZINC000001733629 274932004 /nfs/dbraw/zinc/93/20/04/274932004.db2.gz HJVDVMAWAFYUHI-UHFFFAOYSA-N 0 3 265.316 1.732 40 0 CDABHN CN1CCN(CC2(O)CCOCC2)C[C@@H]1c1ccccc1 ZINC000257244508 277104401 /nfs/dbraw/zinc/10/44/01/277104401.db2.gz ILQSNAAXONZEOY-MRXNPFEDSA-N 0 3 290.407 1.517 40 0 CDABHN C[C@@H](N)C(=O)N1CCc2sc(Br)cc2C1 ZINC000095097549 278304094 /nfs/dbraw/zinc/30/40/94/278304094.db2.gz RNKKALXWIGYFSG-ZCFIWIBFSA-N 0 3 289.198 1.743 40 0 CDABHN O=C1NCCO[C@H]2CN(CC3CCCCC3)CC[C@@H]12 ZINC000096110834 280290522 /nfs/dbraw/zinc/29/05/22/280290522.db2.gz FYGUURZGHDOSSD-KGLIPLIRSA-N 0 3 266.385 1.404 40 0 CDABHN CCCCCCNCc1cnc(N2CCOCC2)nc1 ZINC000062717760 333176196 /nfs/dbraw/zinc/17/61/96/333176196.db2.gz FGFIXPYPZSGZFA-UHFFFAOYSA-N 0 3 278.400 1.983 40 0 CDABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1scnc1C)C2 ZINC000096038770 185069022 /nfs/dbraw/zinc/06/90/22/185069022.db2.gz MYXWBXPQPSNGCD-TZMCWYRMSA-N 0 3 295.408 1.179 40 0 CDABHN CSCC[C@H](N)C(=O)N1Cc2ccccc2C1 ZINC000050912473 361922922 /nfs/dbraw/zinc/92/29/22/361922922.db2.gz AHHHAAGGVNJIMM-LBPRGKRZSA-N 0 3 250.367 1.609 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)CC2CCCCC2)C[C@H]1O ZINC000205679472 343339002 /nfs/dbraw/zinc/33/90/02/343339002.db2.gz RNJZWCXGTMZPHJ-CHWSQXEVSA-N 0 3 254.374 1.090 40 0 CDABHN CNC(=O)[C@H]1CN(Cc2ccc(C)s2)[C@@H]2CCO[C@@H]21 ZINC000108526750 186221380 /nfs/dbraw/zinc/22/13/80/186221380.db2.gz JYHUQIRDFIHWFD-YNEHKIRRSA-N 0 3 280.393 1.392 40 0 CDABHN CCCOc1ccc2c(c1)CCN(C(=O)[C@H](C)N)C2 ZINC000157794395 188339229 /nfs/dbraw/zinc/33/92/29/188339229.db2.gz HOKWCKXFOLNKIM-NSHDSACASA-N 0 3 262.353 1.707 40 0 CDABHN N=C1NC(=O)C(CCCCNC(=O)c2ccccc2)S1 ZINC000032594669 356783721 /nfs/dbraw/zinc/78/37/21/356783721.db2.gz YWSPKOKOJVSZNE-LLVKDONJSA-N 0 3 291.376 1.753 40 0 CDABHN CN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404136 356989370 /nfs/dbraw/zinc/98/93/70/356989370.db2.gz QHFGUARBQAPOPI-AWEZNQCLSA-N 0 3 261.369 1.068 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404440 356991534 /nfs/dbraw/zinc/99/15/34/356991534.db2.gz YTKGBOYCSMWFEA-ZFWWWQNUSA-N 0 3 275.396 1.457 40 0 CDABHN CC(=O)N1CC2(C1)C[C@@H](COCc1ccccn1)CN2C ZINC000585093881 358099104 /nfs/dbraw/zinc/09/91/04/358099104.db2.gz MLSVWYLVWFDIAD-CQSZACIVSA-N 0 3 289.379 1.151 40 0 CDABHN CN(C)[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@H]12 ZINC000096040574 358706331 /nfs/dbraw/zinc/70/63/31/358706331.db2.gz LIEUKYFFGHJFRR-CFVMTHIKSA-N 0 3 264.369 1.821 40 0 CDABHN c1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)nc1 ZINC000096161575 358710916 /nfs/dbraw/zinc/71/09/16/358710916.db2.gz GZOQDSPPAMRDOG-OKILXGFUSA-N 0 3 281.363 1.440 40 0 CDABHN COCCN1CC[C@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218486 358722169 /nfs/dbraw/zinc/72/21/69/358722169.db2.gz BARYWAMDNKJXDT-HOTGVXAUSA-N 0 3 277.364 1.945 40 0 CDABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253129 358727978 /nfs/dbraw/zinc/72/79/78/358727978.db2.gz CDIQOOSQMSMVMP-QLFBSQMISA-N 0 3 280.412 1.791 40 0 CDABHN Cc1cc(Cl)ccc1N1CC[C@@H](CN)S1(=O)=O ZINC000222544859 359353042 /nfs/dbraw/zinc/35/30/42/359353042.db2.gz PVKIJAARFWIPEU-JTQLQIEISA-N 0 3 274.773 1.516 40 0 CDABHN Cc1cc(N2CCNCC2)nc(COc2ccccc2)n1 ZINC000225321397 359575863 /nfs/dbraw/zinc/57/58/63/359575863.db2.gz JASGNQQQCHJCJF-UHFFFAOYSA-N 0 3 284.363 1.774 40 0 CDABHN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)CN)CC1 ZINC000079409158 284193389 /nfs/dbraw/zinc/19/33/89/284193389.db2.gz QFXWKSNBSZNQQP-UHFFFAOYSA-N 0 3 285.388 1.193 40 0 CDABHN Cc1ccc(F)cc1CSc1nnnn1CCN(C)C ZINC000225458233 374437519 /nfs/dbraw/zinc/43/75/19/374437519.db2.gz GWWCXYPPCZAVJY-UHFFFAOYSA-N 0 3 295.387 1.975 40 0 CDABHN COc1cc(OC)cc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000019840895 374805712 /nfs/dbraw/zinc/80/57/12/374805712.db2.gz SZEXTGUURAXLBJ-OZVIIMIRSA-N 0 3 294.395 1.813 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000217670469 375700461 /nfs/dbraw/zinc/70/04/61/375700461.db2.gz UEVQFQHLXDQCMU-GHMZBOCLSA-N 0 3 263.293 1.234 40 0 CDABHN O[C@@H]1CN(CC2CC2)C[C@H]1Oc1cccc(F)c1 ZINC000257239885 190017637 /nfs/dbraw/zinc/01/76/37/190017637.db2.gz HRFOGWQOJBBGCL-ZIAGYGMSSA-N 0 3 251.301 1.660 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000257245224 190019540 /nfs/dbraw/zinc/01/95/40/190019540.db2.gz IOOJFMUGXUPXAK-OAHLLOKOSA-N 0 3 296.798 1.408 40 0 CDABHN CCOC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990148 375771696 /nfs/dbraw/zinc/77/16/96/375771696.db2.gz DAQSKKYMPSSIME-KBPBESRZSA-N 0 3 283.393 1.523 40 0 CDABHN Cc1cnccc1CN1CC[C@@]2(CCCO2)[C@@H](O)C1 ZINC000257282995 190026506 /nfs/dbraw/zinc/02/65/06/190026506.db2.gz OWFRRDOETGFLPE-GJZGRUSLSA-N 0 3 262.353 1.506 40 0 CDABHN CNC(=O)c1c[nH]nc1[C@@H]1CCN(CCc2ccccc2)C1 ZINC000257304081 190030785 /nfs/dbraw/zinc/03/07/85/190030785.db2.gz SJZGJRKSCZIQHN-CQSZACIVSA-N 0 3 298.390 1.801 40 0 CDABHN CN1CCC[C@@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315182 190032866 /nfs/dbraw/zinc/03/28/66/190032866.db2.gz VAGVCNPAKVRPBT-GFCCVEGCSA-N 0 3 259.353 1.783 40 0 CDABHN COc1ccc([C@H]2CN(C)C[C@H]2CO)cc1OC ZINC000242718283 256697747 /nfs/dbraw/zinc/69/77/47/256697747.db2.gz XHXDOFSAVHGMOV-NWDGAFQWSA-N 0 3 251.326 1.341 40 0 CDABHN CCOCCCNCC(=O)Nc1ccc(OC)cc1OC ZINC000004895411 170037250 /nfs/dbraw/zinc/03/72/50/170037250.db2.gz RTCUBCIXVPNRLH-UHFFFAOYSA-N 0 3 296.367 1.659 40 0 CDABHN C[C@@H]1Cc2ccccc2N1C[C@]1(O)CCCN(C)C1 ZINC000072240971 176348692 /nfs/dbraw/zinc/34/86/92/176348692.db2.gz XHIONXYOTPIENM-CJNGLKHVSA-N 0 3 260.381 1.894 40 0 CDABHN Cc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)o1 ZINC000072397565 176395109 /nfs/dbraw/zinc/39/51/09/176395109.db2.gz LCVHXNSVPJGZNT-CYZMBNFOSA-N 0 3 250.342 1.227 40 0 CDABHN CCCN1CCN(C(=O)c2cc(-c3cccnc3)[nH]n2)CC1 ZINC000072397970 176395600 /nfs/dbraw/zinc/39/56/00/176395600.db2.gz ITRFFXPXAJELBY-UHFFFAOYSA-N 0 3 299.378 1.640 40 0 CDABHN CCCN1CCCN(C(=O)c2nccn3ccnc23)CC1 ZINC000077988056 177314610 /nfs/dbraw/zinc/31/46/10/177314610.db2.gz VELHYILNAUGFSP-UHFFFAOYSA-N 0 3 287.367 1.287 40 0 CDABHN CSc1nccnc1CN(C(=O)[C@H](C)N)C1CC1 ZINC000079435729 177489491 /nfs/dbraw/zinc/48/94/91/177489491.db2.gz IBAXCNQXDOLIHH-QMMMGPOBSA-N 0 3 266.370 1.037 40 0 CDABHN CCN(CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391669 279209487 /nfs/dbraw/zinc/20/94/87/279209487.db2.gz ZVVXLQXDMAQQGH-HNNXBMFYSA-N 0 3 292.379 1.712 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391214 279392073 /nfs/dbraw/zinc/39/20/73/279392073.db2.gz QPMPOAUWZYTLDZ-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN Cc1nccc(N2CCNC[C@@H]2c2ccccc2)n1 ZINC000257290195 302709582 /nfs/dbraw/zinc/70/95/82/302709582.db2.gz QBYRCJTYOMBPSD-CQSZACIVSA-N 0 3 254.337 1.936 40 0 CDABHN COc1cc(N[C@H](C)C[C@@H]2COCCN2)cc(OC)c1 ZINC000133343326 930366711 /nfs/dbraw/zinc/36/67/11/930366711.db2.gz YDPUHAPWLCWAIY-DGCLKSJQSA-N 0 3 280.368 1.883 40 0 CDABHN CN1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040050 185068855 /nfs/dbraw/zinc/06/88/55/185068855.db2.gz FWARSUXQPVHYOF-HUUCEWRRSA-N 0 3 262.353 1.961 40 0 CDABHN COC[C@@H]1CCC[C@@]12CN(CC1CCOCC1)CCO2 ZINC000096051858 185074748 /nfs/dbraw/zinc/07/47/48/185074748.db2.gz RYPHHTLTHSHJLM-JKSUJKDBSA-N 0 3 283.412 1.931 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@@H]1C(=O)OCc1ccccc1 ZINC000228980728 539088622 /nfs/dbraw/zinc/08/86/22/539088622.db2.gz PFWDUAUMYWDGNJ-OLZOCXBDSA-N 0 3 277.320 1.081 40 0 CDABHN CC[C@H](C)N1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099475 342212264 /nfs/dbraw/zinc/21/22/64/342212264.db2.gz MBXKHOHUZYIKIJ-WFASDCNBSA-N 0 3 274.368 1.704 40 0 CDABHN Fc1cccc(-c2nsc(N3CCNCC3)n2)c1 ZINC000144239808 362251132 /nfs/dbraw/zinc/25/11/32/362251132.db2.gz ROJKZMMESWROSJ-UHFFFAOYSA-N 0 3 264.329 1.754 40 0 CDABHN CN(C)C[C@H](C(=O)Nc1ccc(Cl)cc1)N(C)C ZINC000255188859 362492672 /nfs/dbraw/zinc/49/26/72/362492672.db2.gz MASDWELVFFSFEB-GFCCVEGCSA-N 0 3 269.776 1.770 40 0 CDABHN Cc1nnc2n1[C@H]1CN(Cc3cccnc3)C[C@H]1CC2 ZINC000019288368 282365827 /nfs/dbraw/zinc/36/58/27/282365827.db2.gz FRLQNCNNAWEIAQ-KGLIPLIRSA-N 0 3 269.352 1.601 40 0 CDABHN O=S(=O)(c1nc2ccccc2s1)N1CCCNCC1 ZINC000085397254 179050165 /nfs/dbraw/zinc/05/01/65/179050165.db2.gz ZQELRBNDJUTMOO-UHFFFAOYSA-N 0 3 297.405 1.280 40 0 CDABHN O=C(C[C@H]1[C@H]2CN(Cc3ccncc3)C[C@@H]12)N1CCCC1 ZINC000107745918 186189635 /nfs/dbraw/zinc/18/96/35/186189635.db2.gz IHFCXQMKPAFSSP-MUJYYYPQSA-N 0 3 285.391 1.772 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccncc1)C2 ZINC000108530015 186222577 /nfs/dbraw/zinc/22/25/77/186222577.db2.gz CJJZFCXGSMEJIR-HOCLYGCPSA-N 0 3 273.380 1.820 40 0 CDABHN C[C@@H](N)C(=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000157428158 188317059 /nfs/dbraw/zinc/31/70/59/188317059.db2.gz JJOWOVLCKLXQBM-ZYHUDNBSSA-N 0 3 252.314 1.134 40 0 CDABHN CNCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005043819 356048371 /nfs/dbraw/zinc/04/83/71/356048371.db2.gz LJTDFQLZVZNKGE-QFGHMXTESA-N 0 3 250.386 1.927 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)c1cnn(C)c1C ZINC000019527293 356490601 /nfs/dbraw/zinc/49/06/01/356490601.db2.gz QGTJQCGDUVDFDI-LBPRGKRZSA-N 0 3 264.373 1.333 40 0 CDABHN CN(C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000073743317 356933335 /nfs/dbraw/zinc/93/33/35/356933335.db2.gz YXHGWXRQOJFUDZ-UHFFFAOYSA-N 0 3 291.395 1.600 40 0 CDABHN CN(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409076 356991968 /nfs/dbraw/zinc/99/19/68/356991968.db2.gz BGJVREPUQRAPQJ-NSHDSACASA-N 0 3 285.388 1.051 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@H]1CCN(CCO)C1)C1CC1 ZINC000079408197 356992600 /nfs/dbraw/zinc/99/26/00/356992600.db2.gz PPFICRCNTMBZCF-LBPRGKRZSA-N 0 3 284.400 1.700 40 0 CDABHN COc1ccc(CN(C(=O)[C@H](C)N)C(C)C)cc1 ZINC000079420317 356996154 /nfs/dbraw/zinc/99/61/54/356996154.db2.gz KTMHWXVWJSHMQA-NSHDSACASA-N 0 3 250.342 1.779 40 0 CDABHN CSCC[C@H](C)N(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000072666054 358544620 /nfs/dbraw/zinc/54/46/20/358544620.db2.gz AIGZIGFVSBFLBY-RWMBFGLXSA-N 0 3 288.457 1.696 40 0 CDABHN CCO[C@H]1CCN(CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096200402 358718608 /nfs/dbraw/zinc/71/86/08/358718608.db2.gz MOQUYTTVTHBJNW-HOTGVXAUSA-N 0 3 290.407 1.797 40 0 CDABHN CN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096230015 358724243 /nfs/dbraw/zinc/72/42/43/358724243.db2.gz OYGYIFCDCOSAEY-UHFFFAOYSA-N 0 3 293.436 1.487 40 0 CDABHN Cc1cc(N2CCNCC2)nc(Cc2ccccc2)n1 ZINC000225321337 359576295 /nfs/dbraw/zinc/57/62/95/359576295.db2.gz ALDYVHDULCCNDC-UHFFFAOYSA-N 0 3 268.364 1.785 40 0 CDABHN CNC(=O)c1ccc(CN(C)CC[C@@H](C)O)cc1 ZINC000075782313 360464146 /nfs/dbraw/zinc/46/41/46/360464146.db2.gz UDNBUWCORHYSOU-LLVKDONJSA-N 0 3 250.342 1.249 40 0 CDABHN COc1cccc(CN(C)C(=O)[C@@H](N)C(C)C)c1 ZINC000037797882 367279312 /nfs/dbraw/zinc/27/93/12/367279312.db2.gz CJSKXYJXBKOFJK-ZDUSSCGKSA-N 0 3 250.342 1.637 40 0 CDABHN CC[C@H](COc1ccccc1)NC(=O)[C@]1(F)CCNC1 ZINC000225488617 374495577 /nfs/dbraw/zinc/49/55/77/374495577.db2.gz BBEAKQNQUZYKKV-DOMZBBRYSA-N 0 3 280.343 1.662 40 0 CDABHN COc1ccccc1[C@@H]1CNCCN1Cc1ncc[nH]1 ZINC000257254074 190020933 /nfs/dbraw/zinc/02/09/33/190020933.db2.gz KBLKKOQPMYUKIY-ZDUSSCGKSA-N 0 3 272.352 1.565 40 0 CDABHN CO[C@H]1CCN(C(C)=O)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096109486 390912973 /nfs/dbraw/zinc/91/29/73/390912973.db2.gz MFYKBMBQZHAKGG-XHSDSOJGSA-N 0 3 289.379 1.149 40 0 CDABHN Cc1nc(N2CCOCC2)nc2c1CN(CC1CC1)CC2 ZINC000096253885 390913498 /nfs/dbraw/zinc/91/34/98/390913498.db2.gz UAIKKXCCTQTCHN-UHFFFAOYSA-N 0 3 288.395 1.390 40 0 CDABHN Cc1cc([C@@H]2CCCCN2C(=O)CN)nc2ccnn21 ZINC000257228112 391648210 /nfs/dbraw/zinc/64/82/10/391648210.db2.gz FSIOTHDZXOQIDW-LBPRGKRZSA-N 0 3 273.340 1.050 40 0 CDABHN CCN[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000005022206 170057048 /nfs/dbraw/zinc/05/70/48/170057048.db2.gz ARGBYODCTOYLID-LBPRGKRZSA-N 0 3 290.319 1.105 40 0 CDABHN Cc1nc(C2CCN(C3CCOCC3)CC2)no1 ZINC000072348528 176373405 /nfs/dbraw/zinc/37/34/05/176373405.db2.gz NBOPUYMGARUESG-UHFFFAOYSA-N 0 3 251.330 1.736 40 0 CDABHN OCCN1CCC[C@@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361627 176377538 /nfs/dbraw/zinc/37/75/38/176377538.db2.gz DINJBUVFGRUTJQ-CYBMUJFWSA-N 0 3 299.378 1.787 40 0 CDABHN Cc1nc(C(=O)NCc2ccccn2)cc([C@@H]2CCCN2)n1 ZINC000072365668 176381139 /nfs/dbraw/zinc/38/11/39/176381139.db2.gz YTYRBZSBOVSINE-ZDUSSCGKSA-N 0 3 297.362 1.535 40 0 CDABHN CNc1ccc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072387288 176392657 /nfs/dbraw/zinc/39/26/57/176392657.db2.gz SPTTYAJDDNAUEI-GFCCVEGCSA-N 0 3 286.383 1.696 40 0 CDABHN CCCCNC(=O)CN(C(C)C)C1CCOCC1 ZINC000077356740 177257314 /nfs/dbraw/zinc/25/73/14/177257314.db2.gz SVXVJGGLVUVGKF-UHFFFAOYSA-N 0 3 256.390 1.792 40 0 CDABHN COCc1cc(N(C)C[C@@H]2CCCN2C)ncn1 ZINC000562927251 293217912 /nfs/dbraw/zinc/21/79/12/293217912.db2.gz KISZIGCWDVZGRQ-LBPRGKRZSA-N 0 3 250.346 1.153 40 0 CDABHN O[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061598 185083222 /nfs/dbraw/zinc/08/32/22/185083222.db2.gz VLXBMIWDEHXYOR-LSDHHAIUSA-N 0 3 258.321 1.853 40 0 CDABHN Cn1ccc(C(=O)N2CC[C@@]3(CCN3CC3CC3)C2)n1 ZINC000096075994 185090187 /nfs/dbraw/zinc/09/01/87/185090187.db2.gz JPDXZLZSIYCSJI-OAHLLOKOSA-N 0 3 274.368 1.121 40 0 CDABHN Cc1nc(C)c(CN2CCC[C@]3(CN(C)C3=O)C2)s1 ZINC000585099323 342212106 /nfs/dbraw/zinc/21/21/06/342212106.db2.gz DYKRKFKSFAQHJV-AWEZNQCLSA-N 0 3 279.409 1.814 40 0 CDABHN COCCN1CCC[C@](O)(COc2ccc(C)cc2)C1 ZINC000585268910 342254464 /nfs/dbraw/zinc/25/44/64/342254464.db2.gz DFIVNKXMAFPZKG-MRXNPFEDSA-N 0 3 279.380 1.847 40 0 CDABHN CNCC(=O)N1CC[C@@](COc2cccc(F)c2)(OC)C1 ZINC000585273070 342255817 /nfs/dbraw/zinc/25/58/17/342255817.db2.gz ABEOOYSRLPAVOO-OAHLLOKOSA-N 0 3 296.342 1.041 40 0 CDABHN Cc1ccnc([C@@H]2CCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257328327 362587006 /nfs/dbraw/zinc/58/70/06/362587006.db2.gz XFEDIIAMEJJZOE-GFCCVEGCSA-N 0 3 274.368 1.372 40 0 CDABHN COc1ccc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC000108531329 186221713 /nfs/dbraw/zinc/22/17/13/186221713.db2.gz ULIQMUFEQUMSEN-HOTGVXAUSA-N 0 3 276.380 1.600 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cnn(C)c1)C2 ZINC000108535037 186221912 /nfs/dbraw/zinc/22/19/12/186221912.db2.gz WWXJGNFSFMFEPB-UKRRQHHQSA-N 0 3 276.384 1.158 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497869 356033180 /nfs/dbraw/zinc/03/31/80/356033180.db2.gz MLRCYIBLWFRYGA-AWEZNQCLSA-N 0 3 289.379 1.534 40 0 CDABHN C[C@@H]1CN(CCOc2ccccc2)[C@@H](C)CN1CCO ZINC000019365090 356483025 /nfs/dbraw/zinc/48/30/25/356483025.db2.gz CERXAIIVWSSCFY-CABCVRRESA-N 0 3 278.396 1.452 40 0 CDABHN Cc1c([C@H](C)NC(=O)CC2CCN(C)CC2)cnn1C ZINC000019748363 356498861 /nfs/dbraw/zinc/49/88/61/356498861.db2.gz WKAMDFWQDPCOAF-NSHDSACASA-N 0 3 278.400 1.638 40 0 CDABHN COc1ccc(C2=NO[C@H](CN)C2)c(OC)c1OC ZINC000070434975 356893822 /nfs/dbraw/zinc/89/38/22/356893822.db2.gz VUFAYAWXNAVWQO-QMMMGPOBSA-N 0 3 266.297 1.164 40 0 CDABHN C[C@H](N)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391203 356987923 /nfs/dbraw/zinc/98/79/23/356987923.db2.gz FJHQVKZYWFAPLF-JTQLQIEISA-N 0 3 285.388 1.097 40 0 CDABHN CCN(CC1CCN(CCO)CC1)C(=O)OC(C)(C)C ZINC000079408031 356992609 /nfs/dbraw/zinc/99/26/09/356992609.db2.gz QUJXKEIFHMNDGE-UHFFFAOYSA-N 0 3 286.416 1.948 40 0 CDABHN CN1CCC(NC(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000048608968 357193228 /nfs/dbraw/zinc/19/32/28/357193228.db2.gz LIIXDZFNCGUPTE-AWEZNQCLSA-N 0 3 276.336 1.037 40 0 CDABHN CCCS(=O)(=O)C(C)C(=O)NC1CCSCC1 ZINC000060337751 357227682 /nfs/dbraw/zinc/22/76/82/357227682.db2.gz YYBGZDBJAGWAHZ-SECBINFHSA-N 0 3 279.427 1.212 40 0 CDABHN c1cnc(N2CC[C@@]3(C2)COCCN(CC2CC2)C3)nc1 ZINC000096062519 358707067 /nfs/dbraw/zinc/70/70/67/358707067.db2.gz IXVGQSHXQZQIDI-MRXNPFEDSA-N 0 3 288.395 1.415 40 0 CDABHN CN1CCC[C@@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096215228 358721286 /nfs/dbraw/zinc/72/12/86/358721286.db2.gz RVNWPTBSTOMODB-CYBMUJFWSA-N 0 3 265.382 1.701 40 0 CDABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@H]2CN1c1cccnc1 ZINC000096245178 358725382 /nfs/dbraw/zinc/72/53/82/358725382.db2.gz KGYSCHPUBQWCGN-BBRMVZONSA-N 0 3 294.358 1.571 40 0 CDABHN Cc1nc(CN2CCO[C@H]3CN(C(C)C)C[C@H]32)cs1 ZINC000096248778 358726581 /nfs/dbraw/zinc/72/65/81/358726581.db2.gz ZNUZKASKQQOQJH-KGLIPLIRSA-N 0 3 281.425 1.745 40 0 CDABHN COc1ncnc2c1CCN(Cc1cccnc1)CC2 ZINC000096255565 358728557 /nfs/dbraw/zinc/72/85/57/358728557.db2.gz FVAFKEJIKHLAEX-UHFFFAOYSA-N 0 3 270.336 1.481 40 0 CDABHN Cc1ccc2nc(C3CCN(CCO)CC3)nn2c1 ZINC000096260705 358729683 /nfs/dbraw/zinc/72/96/83/358729683.db2.gz SEHJVGKCIHYNNI-UHFFFAOYSA-N 0 3 260.341 1.209 40 0 CDABHN NC[C@H]1CCN(Cc2c(F)cccc2Cl)S1(=O)=O ZINC000222538129 359351626 /nfs/dbraw/zinc/35/16/26/359351626.db2.gz AKCYOOCGHXQSNE-MRVPVSSYSA-N 0 3 292.763 1.342 40 0 CDABHN COc1ccc(Cl)cc1N1CC[C@@H](CN)S1(=O)=O ZINC000222544583 359353172 /nfs/dbraw/zinc/35/31/72/359353172.db2.gz ZQGNLHAVYVMJLB-VIFPVBQESA-N 0 3 290.772 1.216 40 0 CDABHN C[C@H]1CN(CCCNC(=O)c2ccsn2)CCCO1 ZINC000296937396 200040221 /nfs/dbraw/zinc/04/02/21/200040221.db2.gz XIFSDKZICIMZGG-NSHDSACASA-N 0 3 283.397 1.374 40 0 CDABHN CC(=O)N1C[C@@H]2CN(CC3CC3)CCN2C(C)(C)C1 ZINC000253401988 373691033 /nfs/dbraw/zinc/69/10/33/373691033.db2.gz NVDLTKYJOURYDF-AWEZNQCLSA-N 0 3 265.401 1.023 40 0 biogenic,in-vitro CDABHN OC[C@H]1C[C@H](O)CN1CCOc1ccc(Cl)c(F)c1 ZINC000225400247 374286655 /nfs/dbraw/zinc/28/66/55/374286655.db2.gz ZGRRBGYRSBKYBW-ZJUUUORDSA-N 0 3 289.734 1.285 40 0 CDABHN CN(C)C1(CN(C)C(=O)N[C@@H]2CCC[C@H]2CCO)CCC1 ZINC000225472305 374479064 /nfs/dbraw/zinc/47/90/64/374479064.db2.gz OJVNVVPSHDWSBP-UONOGXRCSA-N 0 3 297.443 1.663 40 0 CDABHN O=C(c1ccc2c(c1)OCO2)N1CCN2CCC[C@@H]2C1 ZINC000027932874 375162945 /nfs/dbraw/zinc/16/29/45/375162945.db2.gz IFOPIPXPEHXBCY-GFCCVEGCSA-N 0 3 274.320 1.336 40 0 CDABHN C[C@@H](Cc1ccccc1)CN1CCCN(C(N)=O)CC1 ZINC000132265233 375429945 /nfs/dbraw/zinc/42/99/45/375429945.db2.gz KGMFQPSWOHKWCD-AWEZNQCLSA-N 0 3 275.396 1.952 40 0 CDABHN CC(C)n1nccc1CNCCCN1CCOCC1 ZINC000256053024 190004262 /nfs/dbraw/zinc/00/42/62/190004262.db2.gz PRQDPFKXXWALDF-UHFFFAOYSA-N 0 3 266.389 1.276 40 0 CDABHN Cc1cc(C(=O)NCc2c[nH]c([C@@H]3CCN(C)C3)n2)no1 ZINC000257225611 190015726 /nfs/dbraw/zinc/01/57/26/190015726.db2.gz FGZOBJLIAXLURD-SNVBAGLBSA-N 0 3 289.339 1.055 40 0 CDABHN COc1ccccc1[C@H]1CNCCN1Cc1ccnc(C)n1 ZINC000257230289 190016058 /nfs/dbraw/zinc/01/60/58/190016058.db2.gz GBPBHFOKDKXLPA-MRXNPFEDSA-N 0 3 298.390 1.940 40 0 CDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(Cl)c2)C1 ZINC000257223829 190014827 /nfs/dbraw/zinc/01/48/27/190014827.db2.gz DZBYOBIWWAKSQB-ZDUSSCGKSA-N 0 3 295.814 1.450 40 0 CDABHN CCOC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025953 375778732 /nfs/dbraw/zinc/77/87/32/375778732.db2.gz BLWJLKXJNKQTKR-KKUMJFAQSA-N 0 3 297.420 1.569 40 0 CDABHN CC(C)c1cc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cs1 ZINC000257319454 190033527 /nfs/dbraw/zinc/03/35/27/190033527.db2.gz VSPSQJLPFDVAFE-VXGBXAGGSA-N 0 3 282.409 1.618 40 0 CDABHN Cc1cncc([C@@H]2CCCN(Cc3cnc[nH]3)C2)n1 ZINC000257332984 190035656 /nfs/dbraw/zinc/03/56/56/190035656.db2.gz XZNZYVJBFYGIKR-GFCCVEGCSA-N 0 3 257.341 1.888 40 0 CDABHN COCCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000063528482 378303883 /nfs/dbraw/zinc/30/38/83/378303883.db2.gz PJLZKLLSJBUEFE-ZIAGYGMSSA-N 0 3 289.379 1.008 40 0 CDABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccco3)CC[C@H]12 ZINC000097953624 390442873 /nfs/dbraw/zinc/44/28/73/390442873.db2.gz KTZCJBFZKFGJAM-BPLDGKMQSA-N 0 3 292.379 1.500 40 0 CDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079409651 390421439 /nfs/dbraw/zinc/42/14/39/390421439.db2.gz KZEPYOWDSSZRPE-QJPTWQEYSA-N 0 3 299.415 1.628 40 0 CDABHN C[C@@H](N)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000072220519 390622291 /nfs/dbraw/zinc/62/22/91/390622291.db2.gz MRGYRZNRDPZBJS-SSDOTTSWSA-N 0 3 280.715 1.353 40 0 CDABHN O=C(c1ccccc1)c1ccc(N2CCNCC2)nc1 ZINC000072225505 390623150 /nfs/dbraw/zinc/62/31/50/390623150.db2.gz PMJULHNIHRHYMR-UHFFFAOYSA-N 0 3 267.332 1.722 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(C)(=O)=O ZINC000252515189 392796871 /nfs/dbraw/zinc/79/68/71/392796871.db2.gz HUWQZPKWFVVEMZ-BFHYXJOUSA-N 0 3 283.393 1.179 40 0 CDABHN COc1ccc(Br)cc1CNC[C@@H](C)O ZINC000005912726 170154431 /nfs/dbraw/zinc/15/44/31/170154431.db2.gz RYRBETLXDWHSGP-MRVPVSSYSA-N 0 3 274.158 1.928 40 0 CDABHN COc1ccc(CNCCN(C)C)c(OC)c1OC ZINC000020215546 171078221 /nfs/dbraw/zinc/07/82/21/171078221.db2.gz MWIPBVZPSGNZCT-UHFFFAOYSA-N 0 3 268.357 1.364 40 0 CDABHN COCCN(C)C(=O)c1cccc(C2CCN(C)CC2)n1 ZINC000072355764 176375289 /nfs/dbraw/zinc/37/52/89/176375289.db2.gz YHZABJCRPDWQSO-UHFFFAOYSA-N 0 3 291.395 1.609 40 0 CDABHN Cc1nc(NN)nc2c1CN(Cc1ccccc1)CC2 ZINC000072415027 176399416 /nfs/dbraw/zinc/39/94/16/176399416.db2.gz ZFXNUNDGUKUWLN-UHFFFAOYSA-N 0 3 269.352 1.629 40 0 CDABHN CN(C)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434639 276795265 /nfs/dbraw/zinc/79/52/65/276795265.db2.gz KZQQUKBUYQSNCH-WRHSUISWSA-N 0 3 253.386 1.894 40 0 CDABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCN(C(C)C)C1 ZINC000257281056 277261730 /nfs/dbraw/zinc/26/17/30/277261730.db2.gz ONLAUQVCHPLKBX-LLVKDONJSA-N 0 3 287.367 1.287 40 0 CDABHN C[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391196 278223982 /nfs/dbraw/zinc/22/39/82/278223982.db2.gz KMGIPIMGCMEZFK-WDEREUQCSA-N 0 3 285.388 1.239 40 0 CDABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccn(C)n1 ZINC000044891998 280082481 /nfs/dbraw/zinc/08/24/81/280082481.db2.gz YWGRJWIKXLMTGH-RNCFNFMXSA-N 0 3 273.292 1.587 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391227 298943800 /nfs/dbraw/zinc/94/38/00/298943800.db2.gz OIXXQBNTIXMFCY-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN O[C@H](CNCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717808 333176020 /nfs/dbraw/zinc/17/60/20/333176020.db2.gz BYDUCWMRDXPCDK-MRXNPFEDSA-N 0 3 298.390 1.900 40 0 CDABHN CCc1onc(C)c1CN1[C@@H]2CC[C@H]1CC(=O)N(C)C2 ZINC000931763507 771071353 /nfs/dbraw/zinc/07/13/53/771071353.db2.gz CCRUFYZUCQWCPG-NWDGAFQWSA-N 0 3 277.368 1.741 40 0 CDABHN CCN(C)c1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096058798 185078536 /nfs/dbraw/zinc/07/85/36/185078536.db2.gz WPWSZHDTUJEOPV-UHFFFAOYSA-N 0 3 297.406 1.929 40 0 CDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccoc1)CC[C@@H]2OC ZINC000096109418 185099629 /nfs/dbraw/zinc/09/96/29/185099629.db2.gz PBOXMQFQZLQLBT-XHSDSOJGSA-N 0 3 294.395 1.447 40 0 CDABHN Cc1noc(CC(=O)N2C[C@H]3CC[C@@H](C2)N3C(C)C)n1 ZINC000585110164 342213134 /nfs/dbraw/zinc/21/31/34/342213134.db2.gz RHRRVIRLISAGSH-TXEJJXNPSA-N 0 3 278.356 1.004 40 0 CDABHN CN1Cc2cccn2C[C@@H](C(=O)NCc2cccnc2)C1 ZINC000248149790 362154532 /nfs/dbraw/zinc/15/45/32/362154532.db2.gz SWLNAXYLFHIWSB-AWEZNQCLSA-N 0 3 284.363 1.261 40 0 CDABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1ccncc1)C2 ZINC000108530019 186221800 /nfs/dbraw/zinc/22/18/00/186221800.db2.gz CJJZFCXGSMEJIR-ZBFHGGJFSA-N 0 3 273.380 1.820 40 0 CDABHN CO[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000154281373 188133568 /nfs/dbraw/zinc/13/35/68/188133568.db2.gz RUIVMNUILOZVJK-ZIAGYGMSSA-N 0 3 262.353 1.194 40 0 CDABHN CCOc1ccc(CN2CCC(C(N)=O)CC2)cc1 ZINC000004435716 363241545 /nfs/dbraw/zinc/24/15/45/363241545.db2.gz MTHDESIKECZMDH-UHFFFAOYSA-N 0 3 262.353 1.783 40 0 CDABHN CN1CC=C(CNC(=O)c2cnc3ccccc3n2)CC1 ZINC000271872378 191380810 /nfs/dbraw/zinc/38/08/10/191380810.db2.gz LSOXFZSMVMQVKO-UHFFFAOYSA-N 0 3 282.347 1.622 40 0 CDABHN O=C1CCCC(=O)N1[C@@H]1CCCN2CCCC[C@@H]12 ZINC000005382579 356053052 /nfs/dbraw/zinc/05/30/52/356053052.db2.gz RIXNCQKSTKRRRI-NWDGAFQWSA-N 0 3 250.342 1.542 40 0 biogenic,in-vitro CDABHN CNC(=O)[C@@H](C)N[C@H](C)CCc1ccc(O)cc1 ZINC000042560514 356073638 /nfs/dbraw/zinc/07/36/38/356073638.db2.gz FVLUBQWBASQZJM-GHMZBOCLSA-N 0 3 250.342 1.437 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)Cn1nc(C)cc1C ZINC000019527281 356490086 /nfs/dbraw/zinc/49/00/86/356490086.db2.gz KTDKSIMZFIHISB-AWEZNQCLSA-N 0 3 278.400 1.491 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1cnccn1)C(C)C ZINC000079435712 356996222 /nfs/dbraw/zinc/99/62/22/356996222.db2.gz TYJULGRBYMULHC-LBPRGKRZSA-N 0 3 250.346 1.197 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1ccc[nH]1)C1CC1 ZINC000079436550 356996506 /nfs/dbraw/zinc/99/65/06/356996506.db2.gz KPZLOMAIYNGSHF-ZDUSSCGKSA-N 0 3 263.341 1.172 40 0 CDABHN COc1cccc(O[C@@H](C)C(=O)NCCN(C)C)c1 ZINC000041283536 357030011 /nfs/dbraw/zinc/03/00/11/357030011.db2.gz KMRZRDOSICERDE-NSHDSACASA-N 0 3 266.341 1.140 40 0 CDABHN COc1ccc(CC(=O)NC2CCN(C)CC2)cc1 ZINC000047829367 357165698 /nfs/dbraw/zinc/16/56/98/357165698.db2.gz XJXKGQCHJQNSOW-UHFFFAOYSA-N 0 3 262.353 1.448 40 0 CDABHN O=C(COc1ccccc1)N1CCN2CCC[C@@H]2C1 ZINC000027932741 358612426 /nfs/dbraw/zinc/61/24/26/358612426.db2.gz DXGYHRYOWBFUIE-CYBMUJFWSA-N 0 3 260.337 1.372 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228871 358724051 /nfs/dbraw/zinc/72/40/51/358724051.db2.gz DWSHPBBWCOAHES-INIZCTEOSA-N 0 3 292.379 1.854 40 0 CDABHN O=C([C@H]1CCCN(C[C@@H]2CO2)C1)N1CCCCC1 ZINC000095097817 366522790 /nfs/dbraw/zinc/52/27/90/366522790.db2.gz PDGPTTPQFVCBMQ-QWHCGFSZSA-N 0 3 252.358 1.110 40 0 CDABHN CC(C)Oc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222545321 359353052 /nfs/dbraw/zinc/35/30/52/359353052.db2.gz NGTRSFOIXLXFIT-ZDUSSCGKSA-N 0 3 284.381 1.341 40 0 CDABHN COCCNCCNC(=O)c1cc(C)c(F)cc1F ZINC000135631137 359787783 /nfs/dbraw/zinc/78/77/83/359787783.db2.gz HBKXDZZKTPAADH-UHFFFAOYSA-N 0 3 272.295 1.239 40 0 CDABHN COc1ccccc1OC[C@@H](O)CN1CCCCC1 ZINC000000787171 364237731 /nfs/dbraw/zinc/23/77/31/364237731.db2.gz PKQZBVYYMAZUNJ-ZDUSSCGKSA-N 0 3 265.353 1.921 40 0 CDABHN CN1CCNC[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142474 374972410 /nfs/dbraw/zinc/97/24/10/374972410.db2.gz XAHIKDKYCYLTDP-AWEZNQCLSA-N 0 3 285.395 1.511 40 0 CDABHN CN(C)CCN(C)C(=O)c1cccnc1-c1cncs1 ZINC000257212681 190013154 /nfs/dbraw/zinc/01/31/54/190013154.db2.gz CENBXSVIYKJIGZ-UHFFFAOYSA-N 0 3 290.392 1.839 40 0 CDABHN O=C(c1ccc(Cl)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257271359 190023865 /nfs/dbraw/zinc/02/38/65/190023865.db2.gz MXZCZZCPZMNYJC-ZIAGYGMSSA-N 0 3 294.782 1.621 40 0 CDABHN CCN1CC[C@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824747 377670561 /nfs/dbraw/zinc/67/05/61/377670561.db2.gz MOUUWWAEWODECL-HNNXBMFYSA-N 0 3 258.365 1.612 40 0 CDABHN COc1ccc(O[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000010111697 533024844 /nfs/dbraw/zinc/02/48/44/533024844.db2.gz QTJGZUSXMDSQDO-NSHDSACASA-N 0 3 266.341 1.140 40 0 CDABHN CCSc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717320 262298940 /nfs/dbraw/zinc/29/89/40/262298940.db2.gz OTLZFGIYVKNEDG-UHFFFAOYSA-N 0 3 277.397 1.965 40 0 CDABHN CC(C)Oc1ncc([C@@H](CN)N2CCCC2)cn1 ZINC000096511166 390531014 /nfs/dbraw/zinc/53/10/14/390531014.db2.gz CVASWBCQBNNNLS-GFCCVEGCSA-N 0 3 250.346 1.359 40 0 CDABHN CC[C@@H]1CCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000004969106 170046863 /nfs/dbraw/zinc/04/68/63/170046863.db2.gz DQBYUQAIMHCDPL-CHWSQXEVSA-N 0 3 254.374 1.546 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(Cl)c1 ZINC000072397648 176394854 /nfs/dbraw/zinc/39/48/54/176394854.db2.gz ITXBMAQQUQPOCO-KCPJHIHWSA-N 0 3 280.799 1.979 40 0 CDABHN CC(C)N(C[C@H]1COc2ccccc2O1)C(=O)[C@H](C)N ZINC000079418811 177486415 /nfs/dbraw/zinc/48/64/15/177486415.db2.gz QIGHCOREORXYDF-RYUDHWBXSA-N 0 3 278.352 1.411 40 0 CDABHN COC[C@@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096105751 185099066 /nfs/dbraw/zinc/09/90/66/185099066.db2.gz DNJPWPLGXJLKDM-AWEZNQCLSA-N 0 3 279.384 1.438 40 0 CDABHN CO[C@@]1(COc2ccc(C)cc2)CCCN(C(=O)CN)C1 ZINC000585273348 342255815 /nfs/dbraw/zinc/25/58/15/342255815.db2.gz CGOYDRJTUKZPAI-INIZCTEOSA-N 0 3 292.379 1.340 40 0 CDABHN c1csc(COC[C@@H]2CC[C@H]3NCCO[C@H]32)n1 ZINC000247841216 362134791 /nfs/dbraw/zinc/13/47/91/362134791.db2.gz KZPUTSPATLCNNS-UMNHJUIQSA-N 0 3 254.355 1.427 40 0 CDABHN COc1ccccc1C(=O)C(CN(C)C)CN(C)C ZINC000001589117 355940769 /nfs/dbraw/zinc/94/07/69/355940769.db2.gz VLFQHWPLLDNTCF-UHFFFAOYSA-N 0 3 264.369 1.617 40 0 CDABHN CC(C)(C)C(=O)C1[C@H](C(=O)C(C)(C)C)S1(=O)=O ZINC000001734825 355950904 /nfs/dbraw/zinc/95/09/04/355950904.db2.gz WQCBCSWKGRQVKH-HTQZYQBOSA-N 0 3 260.355 1.382 40 0 CDABHN COc1cccc(O[C@H](C)C(=O)NCCN(C)C)c1 ZINC000041283539 357030114 /nfs/dbraw/zinc/03/01/14/357030114.db2.gz KMRZRDOSICERDE-LLVKDONJSA-N 0 3 266.341 1.140 40 0 CDABHN CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](C)N ZINC000079418838 358069661 /nfs/dbraw/zinc/06/96/61/358069661.db2.gz ATUHNSUYMKJAQQ-NSHDSACASA-N 0 3 278.352 1.542 40 0 CDABHN COc1ccc(OC)c(NC(=O)[C@@H]2CCCN(C)C2)c1 ZINC000082332081 358160956 /nfs/dbraw/zinc/16/09/56/358160956.db2.gz YLIGKPBAHZMKCJ-LLVKDONJSA-N 0 3 278.352 1.984 40 0 CDABHN CCn1nc(C)c(CNC[C@H](O)c2ccco2)c1C ZINC000080190017 358713509 /nfs/dbraw/zinc/71/35/09/358713509.db2.gz WHUWAEMIJBXTNJ-ZDUSSCGKSA-N 0 3 263.341 1.936 40 0 CDABHN CCc1ccc(CN2CCC3(CC2)OCC(=O)N[C@@H]3C)o1 ZINC000096201473 358718268 /nfs/dbraw/zinc/71/82/68/358718268.db2.gz WFPIGVQJTGNPRV-GFCCVEGCSA-N 0 3 292.379 1.712 40 0 CDABHN Cc1cc(CNC[C@H](O)c2ccco2)ccc1-n1cncn1 ZINC000080189003 374873235 /nfs/dbraw/zinc/87/32/35/374873235.db2.gz UMDNUKQIXOBRBE-HNNXBMFYSA-N 0 3 298.346 1.992 40 0 CDABHN c1ccc(COC[C@H]2CCC[C@@]23CNCCO3)nc1 ZINC000306142274 374972670 /nfs/dbraw/zinc/97/26/70/374972670.db2.gz WVEYGDQOCUCMTC-UKRRQHHQSA-N 0 3 262.353 1.757 40 0 CDABHN CCCn1cc(CNCCN2CCOCC2)c(C)n1 ZINC000256054949 190005561 /nfs/dbraw/zinc/00/55/61/190005561.db2.gz YLXQOJPNTUOMMD-UHFFFAOYSA-N 0 3 266.389 1.023 40 0 CDABHN Cc1nn(C)c2nc([C@@]3(C)CCCN(CCO)C3)ccc12 ZINC000257205179 190011655 /nfs/dbraw/zinc/01/16/55/190011655.db2.gz AXYWFHVRVNGYSM-INIZCTEOSA-N 0 3 288.395 1.623 40 0 CDABHN Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCN(C)C2)cn1 ZINC000257212633 190013045 /nfs/dbraw/zinc/01/30/45/190013045.db2.gz CEHDDLFYROJRLC-GFCCVEGCSA-N 0 3 271.368 1.978 40 0 CDABHN CN1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213791 190013303 /nfs/dbraw/zinc/01/33/03/190013303.db2.gz CJBPDSMHBNYUCE-NSHDSACASA-N 0 3 270.340 1.819 40 0 CDABHN CCCNC(=O)c1cc([C@H]2CCCN(C)C2)nc(C)n1 ZINC000257236879 190017574 /nfs/dbraw/zinc/01/75/74/190017574.db2.gz HEDVNPXRPYOCQE-LBPRGKRZSA-N 0 3 276.384 1.734 40 0 CDABHN Cc1nc(C(=O)NC2CC2)cc([C@@H]2CCCN(C)C2)n1 ZINC000257271751 190024127 /nfs/dbraw/zinc/02/41/27/190024127.db2.gz MZRJGFUQTDUEAI-LLVKDONJSA-N 0 3 274.368 1.486 40 0 CDABHN O=C1CCCN1C[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000257305039 190030417 /nfs/dbraw/zinc/03/04/17/190030417.db2.gz SOEJLQSNCTWCMZ-OAHLLOKOSA-N 0 3 273.380 1.916 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2cccc3cccnc32)C1 ZINC000257305777 190030946 /nfs/dbraw/zinc/03/09/46/190030946.db2.gz SRMBLOAAXCXNSL-QGZVFWFLSA-N 0 3 299.374 1.373 40 0 CDABHN Cn1ccnc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257305691 190031268 /nfs/dbraw/zinc/03/12/68/190031268.db2.gz SRBGOAMZNDFELH-WFASDCNBSA-N 0 3 276.384 1.509 40 0 CDABHN Cc1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)cc1F ZINC000257320097 190033894 /nfs/dbraw/zinc/03/38/94/190033894.db2.gz VVJLZIDHVVSWBO-HUUCEWRRSA-N 0 3 292.354 1.415 40 0 CDABHN CCN(C[C@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409165 285082645 /nfs/dbraw/zinc/08/26/45/285082645.db2.gz GRORILYWXIXELV-GFCCVEGCSA-N 0 3 299.415 1.583 40 0 CDABHN CC(C)Nc1ncc(CNCCCN2CCOCC2)cn1 ZINC000062718447 391065028 /nfs/dbraw/zinc/06/50/28/391065028.db2.gz UGNKSPXCIIDTEE-UHFFFAOYSA-N 0 3 293.415 1.109 40 0 CDABHN Cc1cccc(C)c1NC(=O)CSC1=NCCN1 ZINC000005548769 170111915 /nfs/dbraw/zinc/11/19/15/170111915.db2.gz SJXNLFMFPMLVAQ-UHFFFAOYSA-N 0 3 263.366 1.934 40 0 CDABHN CCOc1cc(CN[C@@H](CC)CO)ccc1OC ZINC000008326352 170331468 /nfs/dbraw/zinc/33/14/68/170331468.db2.gz DVYDPPBUCVILRK-LBPRGKRZSA-N 0 3 253.342 1.954 40 0 CDABHN O=C(CNC1CCC1)n1c(=O)sc2ccccc21 ZINC000039943761 174176670 /nfs/dbraw/zinc/17/66/70/174176670.db2.gz NHXHTBGABZQNSN-UHFFFAOYSA-N 0 3 262.334 1.845 40 0 CDABHN COCC(=O)N1CCC[C@@H]1c1cc(N(C)C)cc(C)n1 ZINC000072356650 176375712 /nfs/dbraw/zinc/37/57/12/176375712.db2.gz XUPZWKGBXNVVNC-CQSZACIVSA-N 0 3 277.368 1.766 40 0 CDABHN COCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717823 262303062 /nfs/dbraw/zinc/30/30/62/262303062.db2.gz GNCXMNBRMVPCHK-UHFFFAOYSA-N 0 3 250.346 1.203 40 0 CDABHN COc1cccc(CN2CCO[C@]3(CCCN(C)C3)C2)c1 ZINC000063527650 278010800 /nfs/dbraw/zinc/01/08/00/278010800.db2.gz GCZJWEOPCPBICK-KRWDZBQOSA-N 0 3 290.407 1.992 40 0 CDABHN CNC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043221 185070224 /nfs/dbraw/zinc/07/02/24/185070224.db2.gz FKVIWXOCZQSIDV-XHSDSOJGSA-N 0 3 288.391 1.455 40 0 CDABHN O=C(c1ccco1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053750 185074139 /nfs/dbraw/zinc/07/41/39/185074139.db2.gz LPBJEIWKQSERJG-GJZGRUSLSA-N 0 3 297.358 1.879 40 0 CDABHN Cn1cc2c(n1)[C@@H](CNCc1ccsc1)OCC2 ZINC000096059677 185081183 /nfs/dbraw/zinc/08/11/83/185081183.db2.gz XZMSNZYAKQCHOU-GFCCVEGCSA-N 0 3 263.366 1.885 40 0 CDABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3ccoc3)CC2)O1 ZINC000096061123 185082491 /nfs/dbraw/zinc/08/24/91/185082491.db2.gz XVZXIRLYPBDFOQ-CQSZACIVSA-N 0 3 292.379 1.881 40 0 CDABHN COCc1nnc2n1CCN(CC1CCC1)[C@H](C)C2 ZINC000585097484 342211610 /nfs/dbraw/zinc/21/16/10/342211610.db2.gz KKNKJWKLRMBHMW-LLVKDONJSA-N 0 3 264.373 1.471 40 0 CDABHN Fc1cccnc1OC[C@H]1CCn2cncc2CN1 ZINC000585098580 342211957 /nfs/dbraw/zinc/21/19/57/342211957.db2.gz ZLANUOPAZPAQBW-SNVBAGLBSA-N 0 3 262.288 1.358 40 0 CDABHN O[C@H]1CN(Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277285 342256340 /nfs/dbraw/zinc/25/63/40/342256340.db2.gz HLEWMTPPRXAHSS-ZBFHGGJFSA-N 0 3 271.364 1.835 40 0 CDABHN CO[C@H]1CN(Cc2ncccc2C)C[C@@H]1CC(=O)N(C)C ZINC000585276556 342256431 /nfs/dbraw/zinc/25/64/31/342256431.db2.gz PPJNLIIJWJLLDM-ZFWWWQNUSA-N 0 3 291.395 1.315 40 0 CDABHN c1cc2n(n1)[C@H](CN1CCCC1)CN(C1CCOCC1)C2 ZINC000253603690 362441583 /nfs/dbraw/zinc/44/15/83/362441583.db2.gz KANVNZWWTUJPFI-MRXNPFEDSA-N 0 3 290.411 1.515 40 0 CDABHN c1ccc(COC[C@@H]2CCC[C@@]23CNCCO3)nc1 ZINC000306142273 201845849 /nfs/dbraw/zinc/84/58/49/201845849.db2.gz WVEYGDQOCUCMTC-DZGCQCFKSA-N 0 3 262.353 1.757 40 0 CDABHN Cc1ccc(C[N@H+]2CC[C@@H](N(C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214425 186163431 /nfs/dbraw/zinc/16/34/31/186163431.db2.gz HQRWHMJJEVALCL-CABCVRRESA-N 0 3 276.380 1.974 40 0 CDABHN Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214425 186163432 /nfs/dbraw/zinc/16/34/32/186163432.db2.gz HQRWHMJJEVALCL-CABCVRRESA-N 0 3 276.380 1.974 40 0 CDABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)ccn1 ZINC000108222870 186207895 /nfs/dbraw/zinc/20/78/95/186207895.db2.gz DABADBDWDFLXAT-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN CC(C)c1nnc(CN2CC[C@H]3CC[C@@H](C2)N3C)o1 ZINC000074996620 366145203 /nfs/dbraw/zinc/14/52/03/366145203.db2.gz MPQGYLWMXHYOKL-NEPJUHHUSA-N 0 3 264.373 1.862 40 0 CDABHN CCOC(=O)C1(c2cccc(O)c2)CCN(C)CC1 ZINC000000001544 355879584 /nfs/dbraw/zinc/87/95/84/355879584.db2.gz WTJBNMUWRKPFRS-UHFFFAOYSA-N 0 3 263.337 1.919 40 0 in-man CDABHN CS(=O)(=O)N1CCCC[C@H]1CCN1CCCCC1 ZINC000002043582 355958940 /nfs/dbraw/zinc/95/89/40/355958940.db2.gz YRQSMKZHDMJZRV-ZDUSSCGKSA-N 0 3 274.430 1.677 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)nn1)C1CC1 ZINC000079435884 356996093 /nfs/dbraw/zinc/99/60/93/356996093.db2.gz GTEHFVPWXXDQQB-LBPRGKRZSA-N 0 3 282.775 1.604 40 0 CDABHN CCN(C[C@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404188 358068985 /nfs/dbraw/zinc/06/89/85/358068985.db2.gz ZQGIHLJCGMEUGZ-OAHLLOKOSA-N 0 3 275.396 1.458 40 0 CDABHN CCOC[C@@H]1CN(C)C2(CN(c3ncccn3)C2)C1 ZINC000585093869 358099191 /nfs/dbraw/zinc/09/91/91/358099191.db2.gz LRKUUONCUUWRLR-LBPRGKRZSA-N 0 3 262.357 1.024 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177855 358643893 /nfs/dbraw/zinc/64/38/93/358643893.db2.gz ITJISYGAMQNLNP-TXEJJXNPSA-N 0 3 299.415 1.630 40 0 CDABHN NC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161720 358711132 /nfs/dbraw/zinc/71/11/32/358711132.db2.gz AHTWIFJNVSMNIA-TXEJJXNPSA-N 0 3 263.316 1.268 40 0 CDABHN CN(Cc1ccco1)[C@@H]1CN(C)[C@@H]2CCCO[C@H]12 ZINC000096185987 358713706 /nfs/dbraw/zinc/71/37/06/358713706.db2.gz GCSWIXZAFFPDKA-MCIONIFRSA-N 0 3 250.342 1.573 40 0 CDABHN COCCN1CCC[C@]12CCCN(C(=O)c1ccno1)C2 ZINC000096203229 358718941 /nfs/dbraw/zinc/71/89/41/358718941.db2.gz PEZINMJSHPJKIF-HNNXBMFYSA-N 0 3 293.367 1.392 40 0 CDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096206135 358720674 /nfs/dbraw/zinc/72/06/74/358720674.db2.gz DEOUDWMKPLKXDY-CQSZACIVSA-N 0 3 292.379 1.563 40 0 CDABHN CN1CCC[C@]2(C1)CN(C(=O)c1ccncc1)CCO2 ZINC000096268587 358730620 /nfs/dbraw/zinc/73/06/20/358730620.db2.gz IAMGLIMEOVXARE-HNNXBMFYSA-N 0 3 275.352 1.018 40 0 CDABHN COc1cccc([C@@H](CN)N2CCOCC2)c1OC ZINC000019258300 358839533 /nfs/dbraw/zinc/83/95/33/358839533.db2.gz JOOHEYDVJFMCCA-GFCCVEGCSA-N 0 3 266.341 1.036 40 0 CDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)C2CCCC2)[C@H]1O ZINC000514289091 360125498 /nfs/dbraw/zinc/12/54/98/360125498.db2.gz NWUZQBAROQHEHX-SOUVJXGZSA-N 0 3 298.427 1.153 40 0 biogenic,in-vitro CDABHN NC(=O)NC(=O)CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000048579634 373979816 /nfs/dbraw/zinc/97/98/16/373979816.db2.gz ZAUYCBZCMRODJR-UHFFFAOYSA-N 0 3 295.770 1.889 40 0 CDABHN CCOc1cc(N2CCN[C@@H](C)C2)nc(SC)n1 ZINC000079439716 374404844 /nfs/dbraw/zinc/40/48/44/374404844.db2.gz UGENQPYGUGLMIZ-VIFPVBQESA-N 0 3 268.386 1.395 40 0 CDABHN CCOCCCNCc1cnn(CC(F)F)c1C ZINC000256051432 190003675 /nfs/dbraw/zinc/00/36/75/190003675.db2.gz JDHSSEGDWSANNH-UHFFFAOYSA-N 0 3 261.316 1.973 40 0 CDABHN Cc1n[nH]cc1-c1cnc([C@@H]2CCCN(C)C2)cn1 ZINC000257214573 190012774 /nfs/dbraw/zinc/01/27/74/190012774.db2.gz CMMVWTXJJMXRQO-LLVKDONJSA-N 0 3 257.341 1.984 40 0 CDABHN CC(C)C(=O)N1CC[C@@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257226656 190015493 /nfs/dbraw/zinc/01/54/93/190015493.db2.gz FLPDNWJPBVHKBS-LLVKDONJSA-N 0 3 264.373 1.443 40 0 CDABHN CNC(=O)CN1CC[C@@H](Cc2ccnc3ccccc23)C1 ZINC000257273880 190025003 /nfs/dbraw/zinc/02/50/03/190025003.db2.gz NIOSZRZJFKYLQH-ZDUSSCGKSA-N 0 3 283.375 1.845 40 0 CDABHN Cc1nc([C@H]2CCCN2)ncc1C(=O)N1CCCC1 ZINC000257329815 190035124 /nfs/dbraw/zinc/03/51/24/190035124.db2.gz XLQKVMRVFAVPJY-GFCCVEGCSA-N 0 3 260.341 1.446 40 0 CDABHN COCCN1CCC2(CN(Cc3cccnc3)C2=O)CC1 ZINC000096202887 256822236 /nfs/dbraw/zinc/82/22/36/256822236.db2.gz HINLJEGPOIPGNX-UHFFFAOYSA-N 0 3 289.379 1.152 40 0 CDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(CN)CO)cc1 ZINC000252515947 392797182 /nfs/dbraw/zinc/79/71/82/392797182.db2.gz OWGHEIDQVFILHI-QLFBSQMISA-N 0 3 297.420 1.087 40 0 CDABHN Cn1ccc(NC(=O)[C@@H](N)CC2CCCCC2)n1 ZINC000257674049 140338123 /nfs/dbraw/zinc/33/81/23/140338123.db2.gz HSYSOGKYLNGKGS-NSHDSACASA-N 0 3 250.346 1.656 40 0 CDABHN Cn1nc2c(CNC3CC3)cc(-c3ccccc3)cn2c1=O ZINC000019288540 170773145 /nfs/dbraw/zinc/77/31/45/170773145.db2.gz NFYDNJZWOWHSMM-UHFFFAOYSA-N 0 3 294.358 1.952 40 0 CDABHN CCn1nccc1C(=O)N1CCCN(CC2CC2)CC1 ZINC000072252824 176349922 /nfs/dbraw/zinc/34/99/22/176349922.db2.gz MIARNDTVOWQFAP-UHFFFAOYSA-N 0 3 276.384 1.461 40 0 CDABHN CCN1CCc2nc(NC[C@H]3CCCO3)ncc2C1 ZINC000072415046 176399154 /nfs/dbraw/zinc/39/91/54/176399154.db2.gz FCNIFPRVILNZLP-GFCCVEGCSA-N 0 3 262.357 1.446 40 0 CDABHN CC(=O)NC1=C(c2ccccc2)N=C2N=CC=CN2C1 ZINC000026771225 1165704731 /nfs/dbraw/zinc/70/47/31/1165704731.db2.gz DHFZRYHEVSIFBX-UHFFFAOYSA-N 0 3 266.304 1.761 40 0 CDABHN CCOC[C@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039319 185069708 /nfs/dbraw/zinc/06/97/08/185069708.db2.gz WPFGANVDWNSCQZ-HZPDHXFCSA-N 0 3 293.411 1.828 40 0 CDABHN CCOC[C@H]1CN(CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060095 185081297 /nfs/dbraw/zinc/08/12/97/185081297.db2.gz WLQDSCJRDKSCRH-OAHLLOKOSA-N 0 3 293.411 1.782 40 0 CDABHN CC(C)C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096080873 185090860 /nfs/dbraw/zinc/09/08/60/185090860.db2.gz ODNSROBKFBDQJA-GJZGRUSLSA-N 0 3 273.380 1.628 40 0 CDABHN NC(=O)CC[C@@]1(O)CCCN(Cc2ccccc2)C1 ZINC000585277398 342256403 /nfs/dbraw/zinc/25/64/03/342256403.db2.gz VZNHWOOYGOJBBL-HNNXBMFYSA-N 0 3 262.353 1.279 40 0 CDABHN CO[C@@H]1COC[C@@H](N(C)Cc2cc(C)ccc2C)[C@@H]1O ZINC000585291139 342258884 /nfs/dbraw/zinc/25/88/84/342258884.db2.gz KQZQNDUCLKGAJZ-OAGGEKHMSA-N 0 3 279.380 1.510 40 0 CDABHN Cc1csc(C(=O)N2CC[C@](O)(CN(C)C)C2)c1 ZINC000205682552 348744103 /nfs/dbraw/zinc/74/41/03/348744103.db2.gz MCGIQYSFRYIHCZ-ZDUSSCGKSA-N 0 3 268.382 1.195 40 0 CDABHN CCOC(=O)[C@@H]1C(C)[C@H](C(=O)OCC)[C@@H](C)N[C@H]1C ZINC000004404178 356030609 /nfs/dbraw/zinc/03/06/09/356030609.db2.gz LORBKPOPJYPMLM-YIHPLGNESA-N 0 3 271.357 1.361 40 0 CDABHN COc1cc(C(=O)N2CCCNCC2)cc(OC)c1OC ZINC000019679964 358503138 /nfs/dbraw/zinc/50/31/38/358503138.db2.gz KZXBNRSGHAVXRG-UHFFFAOYSA-N 0 3 294.351 1.148 40 0 CDABHN CN1CCC(C(=O)N2CCc3ccccc3C2)CC1 ZINC000034289456 356811642 /nfs/dbraw/zinc/81/16/42/356811642.db2.gz UHLYNFJBXXJWEJ-UHFFFAOYSA-N 0 3 258.365 1.913 40 0 CDABHN CN(C[C@@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079407865 356991412 /nfs/dbraw/zinc/99/14/12/356991412.db2.gz XQZIQWQYQOVKEB-NSHDSACASA-N 0 3 258.362 1.310 40 0 CDABHN CN(C[C@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079410936 356993663 /nfs/dbraw/zinc/99/36/63/356993663.db2.gz WGRPIUODNVOVRW-OAHLLOKOSA-N 0 3 292.379 1.712 40 0 CDABHN CCN(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(C)=O ZINC000079417972 356994528 /nfs/dbraw/zinc/99/45/28/356994528.db2.gz HLZCZQSDSNGCAH-AWEZNQCLSA-N 0 3 283.416 1.077 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079417737 356995313 /nfs/dbraw/zinc/99/53/13/356995313.db2.gz CDMZWCASOCCJIS-DRZSPHRISA-N 0 3 269.389 1.018 40 0 CDABHN c1cnc(N2CC[C@]3(C2)COCCN(CC2CC2)C3)nc1 ZINC000096062518 358707564 /nfs/dbraw/zinc/70/75/64/358707564.db2.gz IXVGQSHXQZQIDI-INIZCTEOSA-N 0 3 288.395 1.415 40 0 CDABHN CN1CC[C@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201945 358719293 /nfs/dbraw/zinc/71/92/93/358719293.db2.gz ASLODNBODIZTSV-OAHLLOKOSA-N 0 3 294.420 1.471 40 0 CDABHN CCN1CCO[C@@H]2CN(Cc3scnc3C)C[C@@H]2C1 ZINC000096219595 358722465 /nfs/dbraw/zinc/72/24/65/358722465.db2.gz WAKXXDGTDIKCAF-QWHCGFSZSA-N 0 3 281.425 1.604 40 0 CDABHN CO[C@@H]1CCN(C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096220316 358722791 /nfs/dbraw/zinc/72/27/91/358722791.db2.gz ZNLIDARQVRMBQI-BFHYXJOUSA-N 0 3 281.425 1.602 40 0 CDABHN COCCN1CC[C@]2(CCCN(Cc3ccoc3)C2)C1=O ZINC000096223953 358723197 /nfs/dbraw/zinc/72/31/97/358723197.db2.gz YKARZTBVCBGXCO-INIZCTEOSA-N 0 3 292.379 1.741 40 0 CDABHN O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1cncnc1 ZINC000096239198 358724452 /nfs/dbraw/zinc/72/44/52/358724452.db2.gz KMCQCUIYLRBJCF-MRXNPFEDSA-N 0 3 298.346 1.699 40 0 CDABHN CON(C)C(=O)C1CCN(Cc2cccs2)CC1 ZINC000013999917 366505589 /nfs/dbraw/zinc/50/55/89/366505589.db2.gz NCHLWDKLSLTVQH-UHFFFAOYSA-N 0 3 268.382 1.980 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccnc2)N1 ZINC000022238412 359048139 /nfs/dbraw/zinc/04/81/39/359048139.db2.gz NEHAMUZNKPUGBN-GFCCVEGCSA-N 0 3 292.302 1.079 40 0 CDABHN Fc1ccccc1Cc1nsc(N2CCNCC2)n1 ZINC000117758028 359721284 /nfs/dbraw/zinc/72/12/84/359721284.db2.gz AMRKPZFRRUETGL-UHFFFAOYSA-N 0 3 278.356 1.678 40 0 CDABHN CN(CCNC(=O)c1cccnc1)Cc1ccccc1 ZINC000053349671 364962603 /nfs/dbraw/zinc/96/26/03/364962603.db2.gz QHKNRKNDUZEXKN-UHFFFAOYSA-N 0 3 269.348 1.943 40 0 CDABHN CN1CC[C@H](N2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864082 366906231 /nfs/dbraw/zinc/90/62/31/366906231.db2.gz PSLYIYOXMTWNHE-HOTGVXAUSA-N 0 3 288.391 1.756 40 0 CDABHN CCCN1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000079351807 374795423 /nfs/dbraw/zinc/79/54/23/374795423.db2.gz CATMOQWUUWEMTL-CQSZACIVSA-N 0 3 278.400 1.654 40 0 CDABHN Cc1cc(NC(=O)CN[C@H]2CC(C)(C)OC2(C)C)on1 ZINC000132454093 375497890 /nfs/dbraw/zinc/49/78/90/375497890.db2.gz VSDWUIKCKVLGRK-JTQLQIEISA-N 0 3 281.356 1.857 40 0 CDABHN CC(C)Cn1nccc1CNCCCN1CCOCC1 ZINC000256052138 190004392 /nfs/dbraw/zinc/00/43/92/190004392.db2.gz MBAQMJABNITNFE-UHFFFAOYSA-N 0 3 280.416 1.351 40 0 CDABHN Cc1cc(CC2CCN(CC(=O)N(C)C)CC2)ccn1 ZINC000257259188 190021493 /nfs/dbraw/zinc/02/14/93/190021493.db2.gz KXFWTQVEGUSZGY-UHFFFAOYSA-N 0 3 275.396 1.733 40 0 CDABHN C[C@H](Oc1ncc(Br)cn1)[C@@H]1CCN(C)C1 ZINC000096515818 390532606 /nfs/dbraw/zinc/53/26/06/390532606.db2.gz ZRRRAEIZYIQRST-DTWKUNHWSA-N 0 3 286.173 1.958 40 0 CDABHN COc1ccc2c3c1O[C@H]1C(=O)CC[C@@H]4[C@@H](C2)N(C)CC[C@]314 ZINC000005699859 533324241 /nfs/dbraw/zinc/32/42/41/533324241.db2.gz LLPOLZWFYMWNKH-VVDPLQPHSA-N 0 3 299.370 1.933 40 0 CDABHN Nc1ncc(CNCCCOc2ccccn2)cn1 ZINC000062717415 391570373 /nfs/dbraw/zinc/57/03/73/391570373.db2.gz WKCXAGCWRLMTFK-UHFFFAOYSA-N 0 3 259.313 1.013 40 0 CDABHN COc1cccc([C@H](N)c2nnc(Cn3cccn3)[nH]2)c1 ZINC000095533556 393150101 /nfs/dbraw/zinc/15/01/01/393150101.db2.gz OCQIGHWFHDDDFG-ZDUSSCGKSA-N 0 3 284.323 1.106 40 0 CDABHN CCCN1CCN(c2ncnc3c(C)nn(CC)c32)CC1 ZINC000057280092 393212160 /nfs/dbraw/zinc/21/21/60/393212160.db2.gz SSUFMOBZTYURTI-UHFFFAOYSA-N 0 3 288.399 1.687 40 0 CDABHN COc1ccc(-c2cc(N3CCNCC3)ncn2)cc1 ZINC000082575622 135008738 /nfs/dbraw/zinc/00/87/38/135008738.db2.gz ZBYRVQOZOIKKGO-UHFFFAOYSA-N 0 3 270.336 1.562 40 0 CDABHN OC[C@@H]1C[C@@H](O)CN1Cc1cccc(-c2ccccn2)c1 ZINC000350261859 154357029 /nfs/dbraw/zinc/35/70/29/154357029.db2.gz GHDJMMSFAXTLNT-JKSUJKDBSA-N 0 3 284.359 1.676 40 0 CDABHN COCCN[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000004969267 170046997 /nfs/dbraw/zinc/04/69/97/170046997.db2.gz PJBGEEKZGBIYMU-NSHDSACASA-N 0 3 262.353 1.738 40 0 CDABHN Cc1nc([C@H]2CCCN(C(C)C)C2)ncc1C(N)=O ZINC000072351999 176374554 /nfs/dbraw/zinc/37/45/54/176374554.db2.gz ZSNHDLZLOJIRJO-NSHDSACASA-N 0 3 262.357 1.472 40 0 CDABHN COc1ccc(C(=O)N[C@H](C)CN2CCCC2)cn1 ZINC000072398506 176396929 /nfs/dbraw/zinc/39/69/29/176396929.db2.gz LKYXUJNQYCQUON-LLVKDONJSA-N 0 3 263.341 1.304 40 0 CDABHN CN(C)CCN(CCN(C)C)C(=O)Nc1ccccc1 ZINC000078489920 177346847 /nfs/dbraw/zinc/34/68/47/177346847.db2.gz RZJPCLLSSRXAQM-UHFFFAOYSA-N 0 3 278.400 1.644 40 0 CDABHN COCCN1CC[C@@H](NCc2cc(F)ccc2F)C1 ZINC000078663176 177367680 /nfs/dbraw/zinc/36/76/80/177367680.db2.gz PGUOROYSLNVTFH-CYBMUJFWSA-N 0 3 270.323 1.775 40 0 CDABHN Cc1ccc2c(c1)C(=O)NCC1(CCN(C)CC1)O2 ZINC000019219093 274770783 /nfs/dbraw/zinc/77/07/83/274770783.db2.gz MKLQLLZQQKBUAQ-UHFFFAOYSA-N 0 3 260.337 1.582 40 0 CDABHN CCO[C@@H]1C[C@H](NC(=O)C(C)(C)N)C12CCCCC2 ZINC000236858585 279842557 /nfs/dbraw/zinc/84/25/57/279842557.db2.gz WKSIZXKTGFOYQY-NWDGAFQWSA-N 0 3 268.401 1.968 40 0 CDABHN Cc1cccc(C)c1N1CC[C@@H](CN)S1(=O)=O ZINC000222540521 281203776 /nfs/dbraw/zinc/20/37/76/281203776.db2.gz HTXHFCCSMZWFQX-NSHDSACASA-N 0 3 254.355 1.171 40 0 CDABHN CCc1cccc(CC)c1N1CC[C@H](CN)S1(=O)=O ZINC000260766211 328067336 /nfs/dbraw/zinc/06/73/36/328067336.db2.gz JIHHZJTYVFHSQG-CYBMUJFWSA-N 0 3 282.409 1.679 40 0 CDABHN COCc1nnc(C2CCN([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000257339943 327137092 /nfs/dbraw/zinc/13/70/92/327137092.db2.gz ZDWHVYTUMSLWRW-QWHCGFSZSA-N 0 3 295.383 1.699 40 0 CDABHN [NH3+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000034527565 342089255 /nfs/dbraw/zinc/08/92/55/342089255.db2.gz QSRSXEHFQCQDRK-UHFFFAOYSA-N 0 3 251.293 1.992 40 0 CDABHN [NH3+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000034527565 342089256 /nfs/dbraw/zinc/08/92/56/342089256.db2.gz QSRSXEHFQCQDRK-UHFFFAOYSA-N 0 3 251.293 1.992 40 0 CDABHN CN1CCC[C@]2(C[C@H](Oc3ncccc3F)CO2)C1 ZINC000096107574 185100041 /nfs/dbraw/zinc/10/00/41/185100041.db2.gz FNZNYYRHADTYCN-FZMZJTMJSA-N 0 3 266.316 1.853 40 0 CDABHN CN1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1 ZINC000585099201 342212153 /nfs/dbraw/zinc/21/21/53/342212153.db2.gz UIAICESIJKTZFS-CYBMUJFWSA-N 0 3 261.369 1.466 40 0 CDABHN Cc1ccccc1[C@H]1CN(Cc2ccncc2)[C@H](CO)[C@@H]1O ZINC000585295356 342260758 /nfs/dbraw/zinc/26/07/58/342260758.db2.gz WLJLWPLTKPWWIX-KZNAEPCWSA-N 0 3 298.386 1.711 40 0 CDABHN CCC[C@H](N)C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585285899 342258692 /nfs/dbraw/zinc/25/86/92/342258692.db2.gz TWQZNKIQGDUSKF-WOPDTQHZSA-N 0 3 254.374 1.530 40 0 CDABHN CN1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585288578 342258921 /nfs/dbraw/zinc/25/89/21/342258921.db2.gz FCOLCCXCCFXTIP-GVDBMIGSSA-N 0 3 290.407 1.595 40 0 CDABHN C(CN1CCCC[C@H]1C1OCCO1)N1CCCCC1 ZINC000078601978 362067524 /nfs/dbraw/zinc/06/75/24/362067524.db2.gz VLXTYHRCOSVIPM-AWEZNQCLSA-N 0 3 268.401 1.700 40 0 CDABHN CSc1cncc(N2CCN(c3ccncc3)CC2)n1 ZINC000131202162 136389007 /nfs/dbraw/zinc/38/90/07/136389007.db2.gz XFVVRNSEBZWUTK-UHFFFAOYSA-N 0 3 287.392 1.920 40 0 CDABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)co1 ZINC000253588456 362440167 /nfs/dbraw/zinc/44/01/67/362440167.db2.gz DEOKXVDOAVQACW-JKSUJKDBSA-N 0 3 276.380 1.965 40 0 CDABHN Fc1ccc(CNC[C@@H]2Cn3nncc3CO2)cc1 ZINC000096060996 282979405 /nfs/dbraw/zinc/97/94/05/282979405.db2.gz OPKAOEJOPAPVTL-CYBMUJFWSA-N 0 3 262.288 1.106 40 0 CDABHN CN(C)CCNC(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000003069664 355993226 /nfs/dbraw/zinc/99/32/26/355993226.db2.gz UOKFKTZIWDCYRF-GQCTYLIASA-N 0 3 262.309 1.106 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc2c(c1)OCCO2 ZINC000037799468 356865728 /nfs/dbraw/zinc/86/57/28/356865728.db2.gz UATCDRGRJGVPPR-AWEZNQCLSA-N 0 3 278.352 1.400 40 0 CDABHN C[C@H](N)C(=O)N1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409594 356991931 /nfs/dbraw/zinc/99/19/31/356991931.db2.gz BLOADHCXNPSCBN-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN C[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079409491 356991952 /nfs/dbraw/zinc/99/19/52/356991952.db2.gz OFDLHNSVBBGJRF-QWRGUYRKSA-N 0 3 285.388 1.239 40 0 CDABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079411012 356994218 /nfs/dbraw/zinc/99/42/18/356994218.db2.gz KRNZIZUIDWCTMY-OAHLLOKOSA-N 0 3 292.379 1.712 40 0 CDABHN CCOc1ccccc1OCC(=O)N[C@@H]1CCCN(C)C1 ZINC000060411203 357664998 /nfs/dbraw/zinc/66/49/98/357664998.db2.gz UGQXXJQKZNJKFQ-CYBMUJFWSA-N 0 3 292.379 1.675 40 0 CDABHN CN1CCC(c2nccnc2N2CCC(O)CC2)CC1 ZINC000072386680 357832094 /nfs/dbraw/zinc/83/20/94/357832094.db2.gz UWOISIGXJSVHEO-UHFFFAOYSA-N 0 3 276.384 1.247 40 0 CDABHN c1nc2c(c(N3CCCC3)n1)CCN(CC1CC1)CC2 ZINC000096058729 358707588 /nfs/dbraw/zinc/70/75/88/358707588.db2.gz YHJQOGPYMIGFOP-UHFFFAOYSA-N 0 3 272.396 1.887 40 0 CDABHN CCO[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096158716 358710006 /nfs/dbraw/zinc/71/00/06/358710006.db2.gz JFOQNNVKNAYXMF-AWEZNQCLSA-N 0 3 279.384 1.580 40 0 CDABHN CCO[C@@H]1C[C@H]2CN(C(=O)c3ccncc3)CCN2C1 ZINC000096183151 358713225 /nfs/dbraw/zinc/71/32/25/358713225.db2.gz CNTMVCKNQBYPGK-UONOGXRCSA-N 0 3 275.352 1.017 40 0 CDABHN Cc1cc(CNC[C@H]2Cn3nnc(C)c3CO2)oc1C ZINC000096199166 358717583 /nfs/dbraw/zinc/71/75/83/358717583.db2.gz VELXINFBMLFLHW-ZDUSSCGKSA-N 0 3 276.340 1.485 40 0 CDABHN Fc1cccnc1OC[C@@H]1CNCc2cncn2C1 ZINC000096217691 358722075 /nfs/dbraw/zinc/72/20/75/358722075.db2.gz DJNFIHVQPVUDCW-SNVBAGLBSA-N 0 3 262.288 1.216 40 0 CDABHN COCCN1CC[C@]2(CCCN(Cc3ccco3)C2)C1=O ZINC000096223961 358723263 /nfs/dbraw/zinc/72/32/63/358723263.db2.gz DIBVYDVHAQSSLR-INIZCTEOSA-N 0 3 292.379 1.741 40 0 CDABHN CC(C)CN1CCO[C@H]2CCN(c3cnccn3)CC[C@@H]21 ZINC000096249250 358726555 /nfs/dbraw/zinc/72/65/55/358726555.db2.gz VDSPLGZYEDORDQ-GJZGRUSLSA-N 0 3 290.411 1.802 40 0 CDABHN CN1CC[C@H](N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075187 366969338 /nfs/dbraw/zinc/96/93/38/366969338.db2.gz NISBGRIODMBHNH-PMPSAXMXSA-N 0 3 288.391 1.805 40 0 CDABHN N[C@H]1COC[C@H]1Oc1ccc(Br)cc1 ZINC000117371581 367294278 /nfs/dbraw/zinc/29/42/78/367294278.db2.gz GRTOEAAOPRPWSN-VHSXEESVSA-N 0 3 258.115 1.554 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079409149 284193120 /nfs/dbraw/zinc/19/31/20/284193120.db2.gz YBNKGLNUNYOZAN-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN COc1ccc(Nc2cc(C)nc(N3CCNCC3)n2)cc1 ZINC000217505014 375661150 /nfs/dbraw/zinc/66/11/50/375661150.db2.gz ZHHVDRBPYJIZLP-UHFFFAOYSA-N 0 3 299.378 1.947 40 0 CDABHN CN(C)Cc1ccnc([C@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257222316 190014980 /nfs/dbraw/zinc/01/49/80/190014980.db2.gz DSVCLWFJZZECCD-CQSZACIVSA-N 0 3 286.383 1.598 40 0 CDABHN NC(=O)CN1C[C@@H]2[C@@H](Cc3ccccc3)CC[C@@H]2C1 ZINC000257248924 190020060 /nfs/dbraw/zinc/02/00/60/190020060.db2.gz JFUXVSSSVOOBGY-RBSFLKMASA-N 0 3 258.365 1.672 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2ccccc2F)C1 ZINC000257248521 190020412 /nfs/dbraw/zinc/02/04/12/190020412.db2.gz JEAJLCCBLPZDEH-MRXNPFEDSA-N 0 3 294.370 1.283 40 0 CDABHN Cn1nccc1-c1cnc(C2CCN(C)CC2)cn1 ZINC000257293923 190028361 /nfs/dbraw/zinc/02/83/61/190028361.db2.gz QRSNKNMAKKBFNU-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN CNC(=O)c1cccc([C@@H]2CN(CC3CC3)CCN2C)c1 ZINC000257314545 190032376 /nfs/dbraw/zinc/03/23/76/190032376.db2.gz UXLAUYFIIHVWLB-INIZCTEOSA-N 0 3 287.407 1.745 40 0 CDABHN COCc1cc(CC2(NCC(C)(C)C)COC2)no1 ZINC000067897985 377285825 /nfs/dbraw/zinc/28/58/25/377285825.db2.gz OJUHTJFYFXNFFK-UHFFFAOYSA-N 0 3 268.357 1.768 40 0 biogenic,in-vitro CDABHN CN1C(=O)CO[C@H]2CN(CCCc3ccccc3)C[C@H]21 ZINC000067897248 377286370 /nfs/dbraw/zinc/28/63/70/377286370.db2.gz JANVOAYGGQUHEK-CABCVRRESA-N 0 3 274.364 1.161 40 0 biogenic,in-vitro CDABHN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](N)C(C)(C)C ZINC000040464522 378096833 /nfs/dbraw/zinc/09/68/33/378096833.db2.gz MWIJYLQQAVEHNB-CYBMUJFWSA-N 0 3 278.352 1.747 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)CNC(=O)CO3)s1 ZINC000096201325 256821500 /nfs/dbraw/zinc/82/15/00/256821500.db2.gz YSNMYSADGBNZSI-UHFFFAOYSA-N 0 3 280.393 1.538 40 0 CDABHN CC(=O)N1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216317 390620760 /nfs/dbraw/zinc/62/07/60/390620760.db2.gz PCUFVMGTENJGGR-HNNXBMFYSA-N 0 3 288.395 1.565 40 0 CDABHN O[C@@H](c1ccccc1)c1ccc(N2CCNCC2)nc1 ZINC000072225510 390623086 /nfs/dbraw/zinc/62/30/86/390623086.db2.gz YFTDANIQARHXHI-INIZCTEOSA-N 0 3 269.348 1.573 40 0 CDABHN CN1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 ZINC000072225535 390624090 /nfs/dbraw/zinc/62/40/90/390624090.db2.gz VDSCHGWBYUKGNE-QGZVFWFLSA-N 0 3 282.391 1.882 40 0 CDABHN COC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000242548278 390862348 /nfs/dbraw/zinc/86/23/48/390862348.db2.gz LHCVXGXKSRWKQN-MGPQQGTHSA-N 0 3 283.393 1.097 40 0 CDABHN CCCCCC(=O)N[C@H]1CO[C@@H](CN(CC)CC)[C@@H]1O ZINC000514288441 390882193 /nfs/dbraw/zinc/88/21/93/390882193.db2.gz FQGQWJCNHUNBTI-KCQAQPDRSA-N 0 3 286.416 1.153 40 0 biogenic,in-vitro CDABHN CN1CCC2(CC1)CN(C)C(=O)C[C@@H]2C(F)(F)F ZINC000096087627 390912720 /nfs/dbraw/zinc/91/27/20/390912720.db2.gz YIFKZVNHDALZTR-VIFPVBQESA-N 0 3 264.291 1.739 40 0 CDABHN CCc1ccc([C@@H]2[C@H](S(C)(=O)=O)[C@]2(CN)COC)cc1 ZINC000252514974 392796820 /nfs/dbraw/zinc/79/68/20/392796820.db2.gz FOVIHOKEFKTLNW-QLFBSQMISA-N 0 3 297.420 1.351 40 0 CDABHN Fc1ccccc1CNC[C@H]1Cn2ccnc2CO1 ZINC000096296268 393174636 /nfs/dbraw/zinc/17/46/36/393174636.db2.gz ONDHHCFKWREEHX-LBPRGKRZSA-N 0 3 261.300 1.711 40 0 biogenic,in-vitro CDABHN C[C@H]1OCC[C@@]1(O)CNCc1cnn(C(C)(C)C)c1 ZINC000227966650 140188601 /nfs/dbraw/zinc/18/86/01/140188601.db2.gz VQUXOHCFKYKJDC-BXUZGUMPSA-N 0 3 267.373 1.268 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCCC[C@@H](SC)C1 ZINC000157801104 286672415 /nfs/dbraw/zinc/67/24/15/286672415.db2.gz AGKDUBIYKWAHFW-MNOVXSKESA-N 0 3 276.471 1.811 40 0 CDABHN CN(C)CCNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C ZINC000022587062 171393062 /nfs/dbraw/zinc/39/30/62/171393062.db2.gz DIHCJCFCGAWNMT-WOSRLPQWSA-N 0 3 281.444 1.469 40 0 CDABHN COc1cccc([C@@H](CN)N2CCCC2)c1OC ZINC000038827571 174156216 /nfs/dbraw/zinc/15/62/16/174156216.db2.gz DEKGLUSDYOVFGR-GFCCVEGCSA-N 0 3 250.342 1.799 40 0 CDABHN OCCN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369815 176384198 /nfs/dbraw/zinc/38/41/98/176384198.db2.gz WNRPKNWHGLWFGV-GFCCVEGCSA-N 0 3 259.309 1.518 40 0 CDABHN Cn1cc(CN2CCC[C@@](O)(c3nccn3C)CC2)cn1 ZINC000072369581 176384400 /nfs/dbraw/zinc/38/44/00/176384400.db2.gz VYLINYIPDKVRLX-HNNXBMFYSA-N 0 3 289.383 1.027 40 0 CDABHN OC[C@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC000072397800 176395616 /nfs/dbraw/zinc/39/56/16/176395616.db2.gz NVYCAEJWPWCUKR-ZDUSSCGKSA-N 0 3 257.337 1.834 40 0 CDABHN CN(C)CCNC(=O)c1ccn(-c2ccc3ccccn32)n1 ZINC000096155303 260563340 /nfs/dbraw/zinc/56/33/40/260563340.db2.gz WMYMBZUKBGOXCO-UHFFFAOYSA-N 0 3 297.362 1.416 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079409375 278377349 /nfs/dbraw/zinc/37/73/49/278377349.db2.gz ZFMKLEUZAQGQSH-LBPRGKRZSA-N 0 3 297.399 1.336 40 0 CDABHN CCN(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409187 279230180 /nfs/dbraw/zinc/23/01/80/279230180.db2.gz SMOIGOVICNSBOJ-GFCCVEGCSA-N 0 3 299.415 1.441 40 0 CDABHN CCN1C(=O)CC[C@]12CCCN(Cc1cnn(C)c1)CC2 ZINC000096047495 185073221 /nfs/dbraw/zinc/07/32/21/185073221.db2.gz UFVTZYFUKDRUAI-INIZCTEOSA-N 0 3 290.411 1.787 40 0 CDABHN C[C@@H]1C(=O)NC[C@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]21 ZINC000096066497 185084417 /nfs/dbraw/zinc/08/44/17/185084417.db2.gz HYUPVXCEZXOOTE-DRZSPHRISA-N 0 3 288.347 1.229 40 0 CDABHN CCN1CC[C@]12CCN(Cc1cccnc1OC)C2 ZINC000096075920 185089954 /nfs/dbraw/zinc/08/99/54/185089954.db2.gz JEKKBKOATBSJAI-HNNXBMFYSA-N 0 3 261.369 1.760 40 0 CDABHN OCCN1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 ZINC000585269209 342255075 /nfs/dbraw/zinc/25/50/75/342255075.db2.gz LRUMYEFUZJGCOO-KBPBESRZSA-N 0 3 269.772 1.700 40 0 CDABHN CN(Cc1ccco1)Cc1cncc2c1CCNC2 ZINC000104964110 186035951 /nfs/dbraw/zinc/03/59/51/186035951.db2.gz HALLHIOFQBPPHE-UHFFFAOYSA-N 0 3 257.337 1.952 40 0 CDABHN CC(=O)N1CCO[C@H]2CCN(Cc3ccccc3C)C[C@@H]21 ZINC000108533849 186221780 /nfs/dbraw/zinc/22/17/80/186221780.db2.gz WFSOCSAIGFEWEP-IRXDYDNUSA-N 0 3 288.391 1.817 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391217 356987901 /nfs/dbraw/zinc/98/79/01/356987901.db2.gz YISXUHPECHODOD-WDEREUQCSA-N 0 3 285.388 1.049 40 0 CDABHN CN(C(=O)OCc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079410921 356994165 /nfs/dbraw/zinc/99/41/65/356994165.db2.gz LCNXOURDJOISIN-CQSZACIVSA-N 0 3 278.352 1.322 40 0 CDABHN COc1cc2c(c(Br)c1O)[C@@H](O)CNC2 ZINC000095470480 358694010 /nfs/dbraw/zinc/69/40/10/358694010.db2.gz QAJUGFUQLZDZBN-LURJTMIESA-N 0 3 274.114 1.300 40 0 CDABHN c1cnc(N2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)nc1 ZINC000096053748 358707239 /nfs/dbraw/zinc/70/72/39/358707239.db2.gz PJCHVWHHISTKCQ-HUUCEWRRSA-N 0 3 281.363 1.440 40 0 CDABHN O=C(NC1CCCCCC1)C1=NO[C@@]2(C1)CCCNC2 ZINC000096268200 358730813 /nfs/dbraw/zinc/73/08/13/358730813.db2.gz LDDMJEFLNBBQAM-OAHLLOKOSA-N 0 3 279.384 1.724 40 0 CDABHN O=C(c1ccccc1)N1CCC2(CC1)CNCCO2 ZINC000096268251 358730997 /nfs/dbraw/zinc/73/09/97/358730997.db2.gz FJWMHZZARCLUCV-UHFFFAOYSA-N 0 3 260.337 1.281 40 0 CDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)COC ZINC000218417543 367924341 /nfs/dbraw/zinc/92/43/41/367924341.db2.gz JYQUWIOREHRYDE-SOUVJXGZSA-N 0 3 297.420 1.487 40 0 CDABHN CC[C@@H](C)n1nccc1CNCCN1CCOCC1 ZINC000256052984 190004370 /nfs/dbraw/zinc/00/43/70/190004370.db2.gz PNVBDRUTPNMOMM-CYBMUJFWSA-N 0 3 266.389 1.276 40 0 CDABHN Cn1nc(C(F)(F)F)cc1CNC[C@@H]1CCCO1 ZINC000256054866 190005568 /nfs/dbraw/zinc/00/55/68/190005568.db2.gz YCVNVVRNZCYPQX-VIFPVBQESA-N 0 3 263.263 1.708 40 0 CDABHN COC[C@H]1CN(C)CCN(C(=O)CCc2ccccc2)C1 ZINC000257273314 190025092 /nfs/dbraw/zinc/02/50/92/190025092.db2.gz NGBXNJDOWDSVTF-INIZCTEOSA-N 0 3 290.407 1.656 40 0 CDABHN O=C1CCCN1C[C@H]1CCCN(Cc2ccncc2)C1 ZINC000257305038 190030732 /nfs/dbraw/zinc/03/07/32/190030732.db2.gz SOEJLQSNCTWCMZ-HNNXBMFYSA-N 0 3 273.380 1.916 40 0 CDABHN CN1CCN(CC2CCOCC2)Cc2cccnc21 ZINC000096198817 256819613 /nfs/dbraw/zinc/81/96/13/256819613.db2.gz IGRGQEHKLXKQJN-UHFFFAOYSA-N 0 3 261.369 1.760 40 0 CDABHN CC(C)OC(=O)[C@H]1CCNC[C@H]1NC(=O)OC(C)(C)C ZINC000096510339 390530569 /nfs/dbraw/zinc/53/05/69/390530569.db2.gz GXNVKSKNYMQVPW-WDEREUQCSA-N 0 3 286.372 1.441 40 0 CDABHN C[C@H](Oc1ncc(Br)cn1)[C@H]1CCN(C)C1 ZINC000096515820 390533278 /nfs/dbraw/zinc/53/32/78/390533278.db2.gz ZRRRAEIZYIQRST-IUCAKERBSA-N 0 3 286.173 1.958 40 0 CDABHN Cc1c(Cl)c(C(=O)N2CCN[C@H](C)[C@H]2C)nn1C ZINC000335042608 150219758 /nfs/dbraw/zinc/21/97/58/150219758.db2.gz DINNVLZDBPGFMR-HTQZYQBOSA-N 0 3 270.764 1.204 40 0 CDABHN C[C@H](NCCN(C)C)C(=O)N1CCc2ccccc21 ZINC000022586168 171393381 /nfs/dbraw/zinc/39/33/81/171393381.db2.gz NHSODKFYYNGQJT-LBPRGKRZSA-N 0 3 261.369 1.115 40 0 CDABHN C[C@@H](NCCN(C)C)C(=O)N1CCCCCCC1 ZINC000022586224 171393545 /nfs/dbraw/zinc/39/35/45/171393545.db2.gz HGSCIHYSEIQQAI-CYBMUJFWSA-N 0 3 255.406 1.319 40 0 CDABHN CN1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358296 176376196 /nfs/dbraw/zinc/37/61/96/176376196.db2.gz JAAOLXJDUMLUCX-ZDUSSCGKSA-N 0 3 289.379 1.363 40 0 CDABHN OC1(CN2CCC(c3nnco3)CC2)CCCCC1 ZINC000072366720 176381685 /nfs/dbraw/zinc/38/16/85/176381685.db2.gz GZIKCEIXSICONB-UHFFFAOYSA-N 0 3 265.357 1.944 40 0 CDABHN Cc1nc(C(=O)N2CCCC2)cc([C@H]2CCCN(C)C2)n1 ZINC000072382865 176388405 /nfs/dbraw/zinc/38/84/05/176388405.db2.gz NESNLYDACRCPIG-ZDUSSCGKSA-N 0 3 288.395 1.830 40 0 CDABHN Cc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)o1 ZINC000072397564 176395037 /nfs/dbraw/zinc/39/50/37/176395037.db2.gz LCVHXNSVPJGZNT-WCFLWFBJSA-N 0 3 250.342 1.227 40 0 CDABHN OCCCn1cc(CN2CCC[C@@H](O)C2)c2ccccc21 ZINC000072397870 176395529 /nfs/dbraw/zinc/39/55/29/176395529.db2.gz UVXZNOJGBSLHPF-OAHLLOKOSA-N 0 3 288.391 1.980 40 0 CDABHN C[C@@H](CN1CCCC1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC000019656172 277571940 /nfs/dbraw/zinc/57/19/40/277571940.db2.gz XLLBFKMKRXGTNB-ZDUSSCGKSA-N 0 3 299.378 1.481 40 0 CDABHN CO[C@@H]1CCCOC12CCN(Cc1cnn(C)c1C)CC2 ZINC000257220590 277646395 /nfs/dbraw/zinc/64/63/95/277646395.db2.gz DLHQARSFRSCILV-OAHLLOKOSA-N 0 3 293.411 1.889 40 0 CDABHN CCS(=O)(=O)NCCN1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000075837692 280025299 /nfs/dbraw/zinc/02/52/99/280025299.db2.gz RBZCOTIIGANSMM-UPJWGTAASA-N 0 3 274.430 1.579 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC000019576536 282007282 /nfs/dbraw/zinc/00/72/82/282007282.db2.gz JZRWWLBJRXLPCS-LLVKDONJSA-N 0 3 261.325 1.129 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC000019576536 282007286 /nfs/dbraw/zinc/00/72/86/282007286.db2.gz JZRWWLBJRXLPCS-LLVKDONJSA-N 0 3 261.325 1.129 40 0 CDABHN O=c1cc2c(nn1Cc1ccc(Cl)cc1)CCNC2 ZINC000063169745 527484391 /nfs/dbraw/zinc/48/43/91/527484391.db2.gz CBSGSBIAPRWLKF-UHFFFAOYSA-N 0 3 275.739 1.591 40 0 CDABHN CNCc1cc2c(cc1Br)OCCO2 ZINC000070187038 361787558 /nfs/dbraw/zinc/78/75/58/361787558.db2.gz KKRVWTYZCOOIGW-UHFFFAOYSA-N 0 3 258.115 1.940 40 0 CDABHN c1nc(CN2CCC3(CC2)COCCN3CC2CC2)c[nH]1 ZINC000096074631 185087817 /nfs/dbraw/zinc/08/78/17/185087817.db2.gz MQGQXDXMCZVPJE-UHFFFAOYSA-N 0 3 290.411 1.487 40 0 CDABHN CN1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 ZINC000585109532 342213114 /nfs/dbraw/zinc/21/31/14/342213114.db2.gz AURHOOSERZEVEB-OFQRWUPVSA-N 0 3 296.374 1.550 40 0 CDABHN CNC(=O)C[C@@H]1CN(Cc2cccc(C)n2)CC[C@H]1OC ZINC000585275403 342256067 /nfs/dbraw/zinc/25/60/67/342256067.db2.gz BHUNHKUWRUKTLM-UKRRQHHQSA-N 0 3 291.395 1.363 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489093 348756394 /nfs/dbraw/zinc/75/63/94/348756394.db2.gz PFWDUAUMYWDGNJ-CHWSQXEVSA-N 0 3 277.320 1.081 40 0 CDABHN Nc1ncc(CNCCc2nc3ccccc3[nH]2)cn1 ZINC000062718386 350413312 /nfs/dbraw/zinc/41/33/12/350413312.db2.gz TXYMGJGGVSUOCP-UHFFFAOYSA-N 0 3 268.324 1.267 40 0 CDABHN Cc1cc(=O)[nH]c([C@H]2CCN(Cc3ccccn3)C2)n1 ZINC000019118490 356475231 /nfs/dbraw/zinc/47/52/31/356475231.db2.gz FYNJFRQLFVGBFV-LBPRGKRZSA-N 0 3 270.336 1.463 40 0 CDABHN N=C1NC(=O)C(CCCCNC(=O)c2ccccc2)S1 ZINC000032594670 356783643 /nfs/dbraw/zinc/78/36/43/356783643.db2.gz YWSPKOKOJVSZNE-NSHDSACASA-N 0 3 291.376 1.753 40 0 CDABHN CN(CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391650 356988584 /nfs/dbraw/zinc/98/85/84/356988584.db2.gz DTTWTJTZTGLXCU-HNNXBMFYSA-N 0 3 292.379 1.712 40 0 CDABHN CC(C)(C)OC(=O)NCC1CCN(CCO)CC1 ZINC000079407850 356990638 /nfs/dbraw/zinc/99/06/38/356990638.db2.gz JGVGEQNDLMLXNH-UHFFFAOYSA-N 0 3 258.362 1.215 40 0 CDABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2[C@@H]1CCOC1 ZINC000096184589 358714332 /nfs/dbraw/zinc/71/43/32/358714332.db2.gz FVUCYKDGHVQXKR-RTXFEEFZSA-N 0 3 293.392 1.221 40 0 CDABHN CN1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 ZINC000096208114 358720564 /nfs/dbraw/zinc/72/05/64/358720564.db2.gz HSMXHGFHKCTNMU-DMDPSCGWSA-N 0 3 280.393 1.474 40 0 CDABHN CC(C)Oc1ncnc2c1CCN(C[C@H]1CCOC1)CC2 ZINC000096255652 358728816 /nfs/dbraw/zinc/72/88/16/358728816.db2.gz SDESNTHNNCKRNZ-CYBMUJFWSA-N 0 3 291.395 1.701 40 0 CDABHN O=C(CCN1CCC(C(F)(F)F)CC1)N1CCOCC1 ZINC000075996545 366944438 /nfs/dbraw/zinc/94/44/38/366944438.db2.gz DLCDIRZBJVNGLP-UHFFFAOYSA-N 0 3 294.317 1.510 40 0 CDABHN CCCC[C@H](N)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000225562524 375165066 /nfs/dbraw/zinc/16/50/66/375165066.db2.gz KYMVUJIIBBHYPW-ZDUSSCGKSA-N 0 3 294.374 1.387 40 0 CDABHN COCCn1nc(C)c(CNC[C@@H]2CCC=CO2)c1C ZINC000225582787 375166181 /nfs/dbraw/zinc/16/61/81/375166181.db2.gz PUBWRSUWLWYIQC-AWEZNQCLSA-N 0 3 279.384 1.929 40 0 CDABHN CC(C)n1nc(C2CC2)cc1CNCCN(C)C ZINC000256051563 190003608 /nfs/dbraw/zinc/00/36/08/190003608.db2.gz JQUDINIXPMVJJV-UHFFFAOYSA-N 0 3 250.390 1.993 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)/C=C/c2ccccc2)C1 ZINC000257229760 190016448 /nfs/dbraw/zinc/01/64/48/190016448.db2.gz FZKFXBLWLYCAGO-ROJDOSBLSA-N 0 3 274.364 1.225 40 0 CDABHN Cc1nc(C(=O)NC2CC2)cc([C@H]2CCCN(C)C2)n1 ZINC000257271752 190024191 /nfs/dbraw/zinc/02/41/91/190024191.db2.gz MZRJGFUQTDUEAI-NSHDSACASA-N 0 3 274.368 1.486 40 0 CDABHN Cn1cc(C(=O)N2CCC[C@H]3N(C)CCC[C@@]32C)cn1 ZINC000257273536 190024887 /nfs/dbraw/zinc/02/48/87/190024887.db2.gz NHAKCSOQWPEAHV-HIFRSBDPSA-N 0 3 276.384 1.509 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000257291456 190027918 /nfs/dbraw/zinc/02/79/18/190027918.db2.gz QHAMHZNRIKNEMU-KRWDZBQOSA-N 0 3 288.391 1.314 40 0 CDABHN NC(=O)c1cncnc1[C@H]1CCN(CCc2ccccc2)C1 ZINC000257308057 190030919 /nfs/dbraw/zinc/03/09/19/190030919.db2.gz TVGGTDHMQRBSBF-AWEZNQCLSA-N 0 3 296.374 1.608 40 0 CDABHN Cc1c[nH]c([C@@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000257328605 190034695 /nfs/dbraw/zinc/03/46/95/190034695.db2.gz XGKFOGOBGFJWJK-CYBMUJFWSA-N 0 3 259.357 1.831 40 0 CDABHN CN1CCN(Cc2cccc(Cl)c2)C[C@H](C(N)=O)C1 ZINC000257334608 190036493 /nfs/dbraw/zinc/03/64/93/190036493.db2.gz YGQOPGGAIQJDAL-GFCCVEGCSA-N 0 3 281.787 1.189 40 0 CDABHN CCn1cc(Cl)c(C(=O)N2CCN3CCC[C@@H]3C2)n1 ZINC000002767070 378053178 /nfs/dbraw/zinc/05/31/78/378053178.db2.gz CXSAIDGRPUMDSK-SNVBAGLBSA-N 0 3 282.775 1.477 40 0 CDABHN O=C1[N-]c2cccc[n+]2C1=C1C(=O)[N-]c2cccc[n+]21 ZINC000227014919 285243181 /nfs/dbraw/zinc/24/31/81/285243181.db2.gz ZXWRIXZOOFQCKJ-VAWYXSNFSA-P 0 3 266.260 1.291 40 0 CDABHN O[C@@H]1CC=C2CCN3Cc4cc5c(cc4[C@@H]1[C@H]23)OCO5 ZINC000005734929 285309818 /nfs/dbraw/zinc/30/98/18/285309818.db2.gz XKYSLILSDJBMCU-KCXAZCMYSA-N 0 3 271.316 1.778 40 0 CDABHN O=CN1CCCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216374 390621182 /nfs/dbraw/zinc/62/11/82/390621182.db2.gz MPXVKSDOAWEZQK-AWEZNQCLSA-N 0 3 274.368 1.175 40 0 CDABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000253588447 390942398 /nfs/dbraw/zinc/94/23/98/390942398.db2.gz DABADBDWDFLXAT-IRXDYDNUSA-N 0 3 287.407 1.767 40 0 CDABHN COc1ccc(C[C@@H]2CN(C)CC[C@@H]2O)c(OC)c1OC ZINC000252497671 392794887 /nfs/dbraw/zinc/79/48/87/392794887.db2.gz QMQMRMFUDUJKIO-OLZOCXBDSA-N 0 3 295.379 1.568 40 0 CDABHN O=C1C[C@H](c2ccccc2)NCCCCN(O)CCCN1 ZINC000008651676 170343809 /nfs/dbraw/zinc/34/38/09/170343809.db2.gz QGMXLNCOBCGXMO-OAHLLOKOSA-N 0 3 291.395 1.699 40 0 CDABHN CC(C)OCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717822 262303337 /nfs/dbraw/zinc/30/33/37/262303337.db2.gz AUWBCBZUIBEXGU-UHFFFAOYSA-N 0 3 278.400 1.982 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000257301705 273802231 /nfs/dbraw/zinc/80/22/31/273802231.db2.gz RZMXRNKDQWNKJV-QGZVFWFLSA-N 0 3 299.374 1.373 40 0 CDABHN CN(C)C[C@@H]1CCc2cc3c(cc2C1=O)OCCO3 ZINC000005535393 276796642 /nfs/dbraw/zinc/79/66/42/276796642.db2.gz IDNNHIVEBYGLOF-NSHDSACASA-N 0 3 261.321 1.765 40 0 CDABHN CN1NC2(CCN(Cc3ccccc3)CC2)NC1=S ZINC000225350306 277214168 /nfs/dbraw/zinc/21/41/68/277214168.db2.gz JUBRQGYDEUCOCD-UHFFFAOYSA-N 0 3 276.409 1.303 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079409758 279299593 /nfs/dbraw/zinc/29/95/93/279299593.db2.gz HEECPVABHSXKGM-RYUDHWBXSA-N 0 3 299.415 1.580 40 0 CDABHN Cc1cc(C)cc(N2CC[C@H](CN)S2(=O)=O)c1 ZINC000260753019 328063787 /nfs/dbraw/zinc/06/37/87/328063787.db2.gz AUEVIXVGMOJPJL-GFCCVEGCSA-N 0 3 254.355 1.171 40 0 CDABHN N[C@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(F)cc1 ZINC000095533291 185006368 /nfs/dbraw/zinc/00/63/68/185006368.db2.gz CIAVOBGDQOAOJY-LBPRGKRZSA-N 0 3 272.287 1.237 40 0 CDABHN c1cnc(N2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053747 185073747 /nfs/dbraw/zinc/07/37/47/185073747.db2.gz PJCHVWHHISTKCQ-GJZGRUSLSA-N 0 3 281.363 1.440 40 0 CDABHN O[C@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccncc1 ZINC000096061653 185082662 /nfs/dbraw/zinc/08/26/62/185082662.db2.gz KXMZCDIIJIBPKV-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN CN(C)CCN1CC[C@]2(C1)CCCN(c1nncs1)C2 ZINC000096071639 185086370 /nfs/dbraw/zinc/08/63/70/185086370.db2.gz PLPXQEPXLASPOJ-AWEZNQCLSA-N 0 3 295.456 1.392 40 0 CDABHN Cc1nnc(N2C[C@@H](N(C)C)[C@H]3OCCC[C@H]3C2)s1 ZINC000096088988 282326451 /nfs/dbraw/zinc/32/64/51/282326451.db2.gz NDIRGKZOGQOSQS-TUAOUCFPSA-N 0 3 282.413 1.392 40 0 CDABHN O=C1NCC[C@]12CCCN(Cc1ccncc1)CC2 ZINC000108526765 186221336 /nfs/dbraw/zinc/22/13/36/186221336.db2.gz HBLSKPPHUIOCIS-HNNXBMFYSA-N 0 3 259.353 1.574 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108530009 186222345 /nfs/dbraw/zinc/22/23/45/186222345.db2.gz CJJZFCXGSMEJIR-GOEBONIOSA-N 0 3 273.380 1.820 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cnc(C)nc1)C2 ZINC000108535584 186222414 /nfs/dbraw/zinc/22/24/14/186222414.db2.gz WLDHZKNCVXTDRC-HOCLYGCPSA-N 0 3 288.395 1.523 40 0 CDABHN CCC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019499088 356488089 /nfs/dbraw/zinc/48/80/89/356488089.db2.gz NSYJYNXWJYJTSY-UHFFFAOYSA-N 0 3 288.395 1.581 40 0 CDABHN CN(C(=O)OC(C)(C)C)C1CCN(CCO)CC1 ZINC000079407895 356990532 /nfs/dbraw/zinc/99/05/32/356990532.db2.gz TULAXAAPZDZFEJ-UHFFFAOYSA-N 0 3 258.362 1.310 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)nn1)C(C)C ZINC000079435881 356996118 /nfs/dbraw/zinc/99/61/18/356996118.db2.gz CNJPHICJMGQOSG-LBPRGKRZSA-N 0 3 284.791 1.850 40 0 CDABHN CC(C)N1CCC[C@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364847 357830996 /nfs/dbraw/zinc/83/09/96/357830996.db2.gz VPTIORFCROQAMX-AWEZNQCLSA-N 0 3 290.411 1.901 40 0 CDABHN CCn1nc(C)c(CNC[C@@H](O)c2ccco2)c1C ZINC000080190024 358714593 /nfs/dbraw/zinc/71/45/93/358714593.db2.gz WHUWAEMIJBXTNJ-CYBMUJFWSA-N 0 3 263.341 1.936 40 0 CDABHN c1c(CN2CCCC2)nc2n1CCN(CC1CC1)C2 ZINC000096197243 358715877 /nfs/dbraw/zinc/71/58/77/358715877.db2.gz HKDJMUCMHXIIPY-UHFFFAOYSA-N 0 3 260.385 1.705 40 0 CDABHN CN1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096201938 358719317 /nfs/dbraw/zinc/71/93/17/358719317.db2.gz NSFNFCONZOBXSR-AWEZNQCLSA-N 0 3 280.393 1.542 40 0 CDABHN CN1C(=O)CCC[C@]12CCCN(Cc1ccc[nH]1)C2 ZINC000096229705 358724195 /nfs/dbraw/zinc/72/41/95/358724195.db2.gz CFXFMORMJVPPRP-OAHLLOKOSA-N 0 3 261.369 1.992 40 0 CDABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000097953346 358806944 /nfs/dbraw/zinc/80/69/44/358806944.db2.gz JPMLLRBHPMMCJA-TZMCWYRMSA-N 0 3 264.325 1.007 40 0 CDABHN CC(C)(C)OC(=O)N1CCC(n2cc(CN)nn2)CC1 ZINC000095096503 360319878 /nfs/dbraw/zinc/31/98/78/360319878.db2.gz ZBVAVTOHPUDXRL-UHFFFAOYSA-N 0 3 281.360 1.309 40 0 CDABHN CN1CCC[C@H](CNC(=O)NCCC(F)(F)F)C1 ZINC000074161588 360582083 /nfs/dbraw/zinc/58/20/83/360582083.db2.gz NCYMHJWWWMONMY-SECBINFHSA-N 0 3 267.295 1.580 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(C)cc2)[C@@]1(CN)COC ZINC000218417464 367923636 /nfs/dbraw/zinc/92/36/36/367923636.db2.gz JYQUWIOREHRYDE-RRFJBIMHSA-N 0 3 297.420 1.487 40 0 CDABHN Cc1cscc1NC(=O)NC[C@H]1CNCCO1 ZINC000333117839 205044186 /nfs/dbraw/zinc/04/41/86/205044186.db2.gz HRIAOMJSBJVYRI-SECBINFHSA-N 0 3 255.343 1.166 40 0 CDABHN Cc1c(CNC[C@@H]2CCCO2)cnn1CC(F)F ZINC000256054204 190005154 /nfs/dbraw/zinc/00/51/54/190005154.db2.gz VKKMNVPILQRDOI-NSHDSACASA-N 0 3 259.300 1.725 40 0 CDABHN CC(=O)N[C@H]1CCN(Cc2ccccc2)CC[C@@H]1O ZINC000257207604 190011781 /nfs/dbraw/zinc/01/17/81/190011781.db2.gz BILQVCCARYOOOM-GJZGRUSLSA-N 0 3 262.353 1.148 40 0 CDABHN COc1ccccc1[C@H]1CNCCN1Cc1ccn(C)n1 ZINC000257218119 190013789 /nfs/dbraw/zinc/01/37/89/190013789.db2.gz DBYNKBQNZHNWHL-OAHLLOKOSA-N 0 3 286.379 1.575 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCC2CCCCC2)C1 ZINC000257294712 190028222 /nfs/dbraw/zinc/02/82/22/190028222.db2.gz QVIZBZVEDHLLNT-INIZCTEOSA-N 0 3 282.428 1.872 40 0 CDABHN CN1CCC[C@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300543 190029015 /nfs/dbraw/zinc/02/90/15/190029015.db2.gz RURBJGPKDXTDQP-NSHDSACASA-N 0 3 261.325 1.847 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2c[nH]cn2)cc1 ZINC000257321968 190033892 /nfs/dbraw/zinc/03/38/92/190033892.db2.gz WECDYXDNKUZSFD-HNNXBMFYSA-N 0 3 272.352 1.565 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(C(=O)N3CCCC3)C2)C1 ZINC000096049622 285349180 /nfs/dbraw/zinc/34/91/80/285349180.db2.gz WSAZDTAKHVDRCR-INIZCTEOSA-N 0 3 295.427 1.637 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391240 390421693 /nfs/dbraw/zinc/42/16/93/390421693.db2.gz IZAAUNCPESBDRQ-SRVKXCTJSA-N 0 3 299.415 1.628 40 0 CDABHN CC[C@H]1CCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000004969105 170046954 /nfs/dbraw/zinc/04/69/54/170046954.db2.gz DQBYUQAIMHCDPL-STQMWFEESA-N 0 3 254.374 1.546 40 0 CDABHN CC[C@@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000008326363 170331217 /nfs/dbraw/zinc/33/12/17/170331217.db2.gz QLNIKHSBMODHAF-NSHDSACASA-N 0 3 269.341 1.573 40 0 CDABHN NCC(=O)N(Cc1ccccc1Br)C1CC1 ZINC000037808838 173752561 /nfs/dbraw/zinc/75/25/61/173752561.db2.gz ULGOJMAUDHRQFA-UHFFFAOYSA-N 0 3 283.169 1.899 40 0 CDABHN COC(=O)c1cc(I)ccc1CN ZINC000039951647 174176437 /nfs/dbraw/zinc/17/64/37/174176437.db2.gz VCUDXSZDIUEGQM-UHFFFAOYSA-N 0 3 291.088 1.537 40 0 CDABHN OCCN1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1 ZINC000072381319 176387789 /nfs/dbraw/zinc/38/77/89/176387789.db2.gz PEFAIGUWLIYXCS-MRVPVSSYSA-N 0 3 263.263 1.600 40 0 CDABHN CN1CCc2ncnc(-c3ccc4c(c3)OCO4)c2CC1 ZINC000096084010 277189458 /nfs/dbraw/zinc/18/94/58/277189458.db2.gz LBSSNTKDDUGMRK-UHFFFAOYSA-N 0 3 283.331 1.903 40 0 CDABHN C[C@@H]1Cc2ccccc2N1C[C@@]1(O)CCCN(C)C1 ZINC000226216208 279019592 /nfs/dbraw/zinc/01/95/92/279019592.db2.gz XHIONXYOTPIENM-CZUORRHYSA-N 0 3 260.381 1.894 40 0 CDABHN N[C@@H](Cc1ccccc1)c1nc(Cn2cccn2)n[nH]1 ZINC000095534872 185008168 /nfs/dbraw/zinc/00/81/68/185008168.db2.gz DCAIXEXLOGVKAO-LBPRGKRZSA-N 0 3 268.324 1.292 40 0 CDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1C ZINC000096054208 185076145 /nfs/dbraw/zinc/07/61/45/185076145.db2.gz RGEQVYSZTPZWDV-AEGPPILISA-N 0 3 291.370 1.076 40 0 CDABHN c1ccc(CO[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)nc1 ZINC000096055126 185076158 /nfs/dbraw/zinc/07/61/58/185076158.db2.gz XFZIQEZBAUMNGZ-DLBZAZTESA-N 0 3 287.407 1.767 40 0 CDABHN CC(C)N(C)Cc1cnc2n1CCN(CC1CC1)C2 ZINC000096061790 185083462 /nfs/dbraw/zinc/08/34/62/185083462.db2.gz QSPDHYPZIOHQFK-UHFFFAOYSA-N 0 3 262.401 1.949 40 0 CDABHN CCN1CC[C@H]2C[C@@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066193 185083610 /nfs/dbraw/zinc/08/36/10/185083610.db2.gz SVZMIOXENYKSNV-SOUVJXGZSA-N 0 3 296.411 1.029 40 0 CDABHN CC(C)N1CCOC[C@](O)(COc2cccc(F)c2)C1 ZINC000585268966 342254473 /nfs/dbraw/zinc/25/44/73/342254473.db2.gz GAUVHKXYPRMRIC-HNNXBMFYSA-N 0 3 283.343 1.676 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404616 356990488 /nfs/dbraw/zinc/99/04/88/356990488.db2.gz ZHIKMZFDHZAZOP-CVEARBPZSA-N 0 3 289.423 1.751 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404619 356991044 /nfs/dbraw/zinc/99/10/44/356991044.db2.gz ZHIKMZFDHZAZOP-HOTGVXAUSA-N 0 3 289.423 1.751 40 0 CDABHN CC(C)N(C[C@@H]1CCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409237 356992456 /nfs/dbraw/zinc/99/24/56/356992456.db2.gz BBIJRHBGFAALRD-LBPRGKRZSA-N 0 3 299.415 1.582 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccc(Cl)nc1)C1CC1 ZINC000079421615 356996348 /nfs/dbraw/zinc/99/63/48/356996348.db2.gz RFUHBQZLUJPGDC-QMMMGPOBSA-N 0 3 253.733 1.573 40 0 CDABHN CSc1nccnc1CN(C(=O)[C@H](C)N)C(C)C ZINC000079435725 356996750 /nfs/dbraw/zinc/99/67/50/356996750.db2.gz PGYGJMWNOVDFRN-VIFPVBQESA-N 0 3 268.386 1.283 40 0 CDABHN COc1ccc(CCC(=O)NCCN(C)C)cc1 ZINC000047652998 357161992 /nfs/dbraw/zinc/16/19/92/357161992.db2.gz BCLAMAMWXJIXOY-UHFFFAOYSA-N 0 3 250.342 1.306 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036092765 357270426 /nfs/dbraw/zinc/27/04/26/357270426.db2.gz SDSLHHOEKIAOFX-JMSVASOKSA-N 0 3 264.369 1.804 40 0 CDABHN c1cnc(NCc2nnn3c2CN(CC2CC2)CCC3)nc1 ZINC000096259496 358728834 /nfs/dbraw/zinc/72/88/34/358728834.db2.gz KSDBYZLVWRMXRX-UHFFFAOYSA-N 0 3 299.382 1.296 40 0 CDABHN C(c1noc2c1CN(C[C@H]1CCOC1)CC2)N1CCCC1 ZINC000096259730 358729524 /nfs/dbraw/zinc/72/95/24/358729524.db2.gz VEHWFCBHTZNXOD-CYBMUJFWSA-N 0 3 291.395 1.665 40 0 CDABHN CCc1cnc(N2CCC3(C[C@H](N(C)C)CO3)CC2)nc1 ZINC000104798480 358965071 /nfs/dbraw/zinc/96/50/71/358965071.db2.gz GPPSFQGNZXONED-AWEZNQCLSA-N 0 3 290.411 1.729 40 0 CDABHN NC[C@@H]1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000222537537 359351659 /nfs/dbraw/zinc/35/16/59/359351659.db2.gz ZRQKOGUCJBDTKO-NSHDSACASA-N 0 3 274.773 1.203 40 0 CDABHN C[C@H](c1cccc(O)c1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000305212687 364890923 /nfs/dbraw/zinc/89/09/23/364890923.db2.gz HMOSRHFGTRUENM-CZUORRHYSA-N 0 3 294.395 1.078 40 0 CDABHN CCN(CC)CCNCc1cc(C(F)(F)F)nn1C ZINC000256054565 190005584 /nfs/dbraw/zinc/00/55/84/190005584.db2.gz WVMZWPYLQXLCTI-UHFFFAOYSA-N 0 3 278.322 1.870 40 0 CDABHN CN1CCC[C@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209503 190012207 /nfs/dbraw/zinc/01/22/07/190012207.db2.gz BQRHDKJGQHDANL-AWEZNQCLSA-N 0 3 274.368 1.277 40 0 CDABHN COc1ccccc1[C@@H]1CNCCN1Cc1ccnc(C)n1 ZINC000257230288 190016493 /nfs/dbraw/zinc/01/64/93/190016493.db2.gz GBPBHFOKDKXLPA-INIZCTEOSA-N 0 3 298.390 1.940 40 0 CDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(Cl)c2)C1 ZINC000257223828 190014560 /nfs/dbraw/zinc/01/45/60/190014560.db2.gz DZBYOBIWWAKSQB-CYBMUJFWSA-N 0 3 295.814 1.450 40 0 CDABHN CS(=O)(=O)C1(CN)CCN(Cc2ccccc2)CC1 ZINC000217927777 375761897 /nfs/dbraw/zinc/76/18/97/375761897.db2.gz JXECSFFDRDRATE-UHFFFAOYSA-N 0 3 282.409 1.025 40 0 CDABHN COCCN1CC2(C1)CO[C@H](Cc1cccnc1)C2 ZINC000257279029 190025287 /nfs/dbraw/zinc/02/52/87/190025287.db2.gz OERPUPAAQNCIQM-CQSZACIVSA-N 0 3 262.353 1.361 40 0 CDABHN O[C@H]1CN(CCOc2ccc(F)cc2)C[C@@]12CCCO2 ZINC000257282631 190026237 /nfs/dbraw/zinc/02/62/37/190026237.db2.gz OUOKJZCDYNSQJM-GJZGRUSLSA-N 0 3 281.327 1.430 40 0 CDABHN CCN1CCN(C[C@@H](O)COC2CCC(C)CC2)CC1 ZINC000041690168 379449285 /nfs/dbraw/zinc/44/92/85/379449285.db2.gz SOMFTOZWGVTKOY-HWOWSKLDSA-N 0 3 284.444 1.580 40 0 CDABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(CC1CC1)C2 ZINC000225495062 292377242 /nfs/dbraw/zinc/37/72/42/292377242.db2.gz MOFKCFJZIXAKHF-HNNXBMFYSA-N 0 3 275.396 1.803 40 0 biogenic,in-vitro CDABHN C[C@@H]1CN([C@H](CN)c2cccc(F)c2)C[C@@H](C)O1 ZINC000022168453 171366792 /nfs/dbraw/zinc/36/67/92/171366792.db2.gz KOSVWTNJZPXZKA-JTNHKYCSSA-N 0 3 252.333 1.935 40 0 CDABHN COCCN1CCC(CNC(=O)C2CCC2)CC1 ZINC000038582759 174148827 /nfs/dbraw/zinc/14/88/27/174148827.db2.gz HOPJJZOQXMTXQS-UHFFFAOYSA-N 0 3 254.374 1.261 40 0 CDABHN CCCN1C[C@H]2[C@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141444 276014566 /nfs/dbraw/zinc/01/45/66/276014566.db2.gz VWKUIKSVVUPRLY-GJZGRUSLSA-N 0 3 273.380 1.989 40 0 CDABHN COc1cc2c(c(Br)c1O)[C@H](O)CNC2 ZINC000095470479 277841568 /nfs/dbraw/zinc/84/15/68/277841568.db2.gz QAJUGFUQLZDZBN-ZCFIWIBFSA-N 0 3 274.114 1.300 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000058041001 277902590 /nfs/dbraw/zinc/90/25/90/277902590.db2.gz GHGVVJCGKGEARC-LBPRGKRZSA-N 0 3 299.415 1.485 40 0 CDABHN CS[C@H]1CCC[C@@H]1N(C)CC(=O)N1CCOCC1 ZINC000076147205 278161786 /nfs/dbraw/zinc/16/17/86/278161786.db2.gz PRPJFNRITHLYGP-RYUDHWBXSA-N 0 3 272.414 1.061 40 0 CDABHN C[C@]1(C(=O)N2CCOCC2)CN(C2CCCCC2)CCO1 ZINC000072379388 280145710 /nfs/dbraw/zinc/14/57/10/280145710.db2.gz ROUPPRWLGRZFNR-MRXNPFEDSA-N 0 3 296.411 1.269 40 0 CDABHN CC(C)Nc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717652 333176190 /nfs/dbraw/zinc/17/61/90/333176190.db2.gz PMOLKVGJCJYIBW-UHFFFAOYSA-N 0 3 291.399 1.399 40 0 CDABHN O=C1C[C@@]2(CCN(Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050824 185074214 /nfs/dbraw/zinc/07/42/14/185074214.db2.gz RMECSFACCLOEBG-MRXNPFEDSA-N 0 3 298.346 1.699 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(Cc1scnc1C)CC[C@H]2OC ZINC000096108531 185099537 /nfs/dbraw/zinc/09/95/37/185099537.db2.gz NWLPRWALAPKJFG-BFHYXJOUSA-N 0 3 295.452 1.993 40 0 CDABHN OC[C@H]1CCn2nccc2CN1CCc1ccccc1 ZINC000585097387 342211480 /nfs/dbraw/zinc/21/14/80/342211480.db2.gz KOVSWBFZOVPGIX-MRXNPFEDSA-N 0 3 271.364 1.692 40 0 CDABHN Cc1snnc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000585108111 342213331 /nfs/dbraw/zinc/21/33/31/342213331.db2.gz FHTSXBSFSPLEMU-NWDGAFQWSA-N 0 3 292.408 1.545 40 0 CDABHN CN(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(C)O ZINC000685936390 539098939 /nfs/dbraw/zinc/09/89/39/539098939.db2.gz VISKNHQIOAJQFV-GXFFZTMASA-N 0 3 258.362 1.308 40 0 CDABHN Cc1c(C(=O)N[C@H](CN(C)C)c2ccccc2)cnn1C ZINC000019553409 356491230 /nfs/dbraw/zinc/49/12/30/356491230.db2.gz PBNBHXRUUDSMFG-OAHLLOKOSA-N 0 3 286.379 1.761 40 0 CDABHN NCC(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1 ZINC000079404322 356990706 /nfs/dbraw/zinc/99/07/06/356990706.db2.gz BLLNROWNDWTVEO-UHFFFAOYSA-N 0 3 287.407 1.601 40 0 CDABHN CN(CC1CCN(CCO)CC1)C(=O)OC(C)(C)C ZINC000079407919 356991275 /nfs/dbraw/zinc/99/12/75/356991275.db2.gz SJHWSSKAUSSKMI-UHFFFAOYSA-N 0 3 272.389 1.558 40 0 CDABHN CCN(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409683 356992712 /nfs/dbraw/zinc/99/27/12/356992712.db2.gz KQCUPAOKFDUKGI-RYUDHWBXSA-N 0 3 299.415 1.439 40 0 CDABHN CN(C[C@@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409064 356992733 /nfs/dbraw/zinc/99/27/33/356992733.db2.gz IPJJYXMSAFHJNX-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN CN(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN ZINC000079415204 356993296 /nfs/dbraw/zinc/99/32/96/356993296.db2.gz DCCQCYZGIHGECG-HNNXBMFYSA-N 0 3 275.396 1.458 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418067 356994551 /nfs/dbraw/zinc/99/45/51/356994551.db2.gz BLVZRGWIGXNXEM-KKUMJFAQSA-N 0 3 297.443 1.654 40 0 CDABHN COC(=O)C[C@H](C)NCc1ccc2c(c1)OCO2 ZINC000047219174 357154090 /nfs/dbraw/zinc/15/40/90/357154090.db2.gz UXXUHBOGEKSZOW-VIFPVBQESA-N 0 3 251.282 1.457 40 0 CDABHN COc1ccc(C(=O)NCCN(C)C)cc1Cl ZINC000059400253 357429727 /nfs/dbraw/zinc/42/97/27/357429727.db2.gz HRIOYNWBWQWLOG-UHFFFAOYSA-N 0 3 256.733 1.640 40 0 CDABHN Cc1nnn2c1COC[C@H](CNCc1ccoc1)C2 ZINC000096199306 358717587 /nfs/dbraw/zinc/71/75/87/358717587.db2.gz YGLGQFHHAYSJTE-GFCCVEGCSA-N 0 3 262.313 1.116 40 0 CDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1cccs1)CC2 ZINC000096206087 358720011 /nfs/dbraw/zinc/72/00/11/358720011.db2.gz QAXDAEYILUDVOG-CYBMUJFWSA-N 0 3 294.420 1.723 40 0 CDABHN CN1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244281 358725117 /nfs/dbraw/zinc/72/51/17/358725117.db2.gz WROPEUSVOUHQBO-INIZCTEOSA-N 0 3 282.347 1.642 40 0 CDABHN COCCNCc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013998570 358826996 /nfs/dbraw/zinc/82/69/96/358826996.db2.gz KDBJVSFBGHNPGB-UHFFFAOYSA-N 0 3 260.337 1.881 40 0 CDABHN COC(=O)[C@]12CC1C(=O)c1cc(Br)ccc1O2 ZINC000085392974 359069770 /nfs/dbraw/zinc/06/97/70/359069770.db2.gz SOKHQAKXQXESPD-UFBFGSQYSA-N 0 3 297.104 1.956 40 0 CDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250172 365044300 /nfs/dbraw/zinc/04/43/00/365044300.db2.gz ARXKOCAAFLCZJU-KKUMJFAQSA-N 0 3 297.420 1.487 40 0 CDABHN OCC1(CNCc2ccc(Cl)o2)CCOCC1 ZINC000330679616 203108384 /nfs/dbraw/zinc/10/83/84/203108384.db2.gz KZRSDATUXNQLLH-UHFFFAOYSA-N 0 3 259.733 1.812 40 0 CDABHN CN(C)c1ccc(-c2noc([C@@H]3CCCN3)n2)cn1 ZINC000049155469 373981862 /nfs/dbraw/zinc/98/18/62/373981862.db2.gz HUHRRRVLXQXNSN-JTQLQIEISA-N 0 3 259.313 1.622 40 0 biogenic,in-vitro CDABHN CCCNC(=O)CCCC(=O)N1CCCN(CC)CC1 ZINC000079001691 374754486 /nfs/dbraw/zinc/75/44/86/374754486.db2.gz PIJQVGHCYJTTGT-UHFFFAOYSA-N 0 3 283.416 1.237 40 0 CDABHN CCOC[C@@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000079355231 374795722 /nfs/dbraw/zinc/79/57/22/374795722.db2.gz WBIUPXVTPZEVTL-ZFWWWQNUSA-N 0 3 265.353 1.537 40 0 CDABHN CN(C)CCNCc1cnn(CC(F)(F)F)c1 ZINC000256053802 190004675 /nfs/dbraw/zinc/00/46/75/190004675.db2.gz SXJYZZIQEXJFRT-UHFFFAOYSA-N 0 3 250.268 1.097 40 0 CDABHN COC(=O)c1cc2c(nc1C(F)(F)F)CCNC2 ZINC000090513313 284536842 /nfs/dbraw/zinc/53/68/42/284536842.db2.gz ROHRKMIUPOLEBP-UHFFFAOYSA-N 0 3 260.215 1.533 40 0 CDABHN Cc1noc(C)c1-c1cc(CC[C@H]2CNCCO2)ncn1 ZINC000257245088 190019325 /nfs/dbraw/zinc/01/93/25/190019325.db2.gz IOAWGOJDJMEHBR-ZDUSSCGKSA-N 0 3 288.351 1.669 40 0 CDABHN COc1nc(C)cc(C)c1CNC(=O)[C@H](C(C)C)N(C)C ZINC000331168376 376652436 /nfs/dbraw/zinc/65/24/36/376652436.db2.gz UQNCLURCWLYMEN-AWEZNQCLSA-N 0 3 293.411 1.909 40 0 CDABHN CCn1cc(Cl)c(C(=O)N2CCN3CCC[C@H]3C2)n1 ZINC000002767069 378053880 /nfs/dbraw/zinc/05/38/80/378053880.db2.gz CXSAIDGRPUMDSK-JTQLQIEISA-N 0 3 282.775 1.477 40 0 CDABHN CCOC(=O)[C@@H]1C(C)[C@H](C(=O)OCC)[C@H](C)N[C@@H]1C ZINC000004404174 390153503 /nfs/dbraw/zinc/15/35/03/390153503.db2.gz LORBKPOPJYPMLM-CQGIUEJESA-N 0 3 271.357 1.361 40 0 CDABHN CN1CCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216507 390620642 /nfs/dbraw/zinc/62/06/42/390620642.db2.gz QWCOKQBOPGXDAF-AWEZNQCLSA-N 0 3 260.385 1.600 40 0 CDABHN Cc1c(Cl)c(C(=O)N2CCN[C@H](C)[C@@H]2C)nn1C ZINC000335042611 150219574 /nfs/dbraw/zinc/21/95/74/150219574.db2.gz DINNVLZDBPGFMR-SFYZADRCSA-N 0 3 270.764 1.204 40 0 CDABHN COc1cc2ccc(=NN3CCNCC3)[nH]c2cc1OC ZINC000033359455 286261605 /nfs/dbraw/zinc/26/16/05/286261605.db2.gz PXCLRSJWUUOYIA-UHFFFAOYSA-N 0 3 288.351 1.484 40 0 CDABHN CC(C)N(C(=O)[C@H](C)NC[C@@H]1CCCO1)C(C)C ZINC000004969157 170046983 /nfs/dbraw/zinc/04/69/83/170046983.db2.gz NCETZSSCAXGGDG-STQMWFEESA-N 0 3 256.390 1.789 40 0 CDABHN CN(C)C(=O)Oc1cc([O-])cc([C@@H](O)C[NH2+]C(C)(C)C)c1 ZINC000005353075 170088936 /nfs/dbraw/zinc/08/89/36/170088936.db2.gz ZFYNJGOPBVNUDF-ZDUSSCGKSA-N 0 3 296.367 1.874 40 0 in-vitro CDABHN COc1ccc(CNC(C)(C)CO)c(OC)c1OC ZINC000006883149 170252873 /nfs/dbraw/zinc/25/28/73/170252873.db2.gz CTYKUZOFNALFCH-UHFFFAOYSA-N 0 3 269.341 1.573 40 0 CDABHN CN1CCC[C@@H](CNC(=S)NCc2ccco2)C1 ZINC000009876514 170388183 /nfs/dbraw/zinc/38/81/83/170388183.db2.gz YEQARTZAKPVZCP-NSHDSACASA-N 0 3 267.398 1.586 40 0 CDABHN CC[C@@H](Oc1cccc(C)c1)C(=O)NCCN(C)C ZINC000020495092 171226860 /nfs/dbraw/zinc/22/68/60/171226860.db2.gz ATZSRQYNRDHEOV-CQSZACIVSA-N 0 3 264.369 1.830 40 0 CDABHN COc1cc(OC)c([C@H](CN)N(C)C)c(OC)c1 ZINC000037376738 173165679 /nfs/dbraw/zinc/16/56/79/173165679.db2.gz KJCTXCBDMWSXEB-JTQLQIEISA-N 0 3 254.330 1.274 40 0 CDABHN COCCn1cnnc1[C@H]1CCCN(C(C)C)C1 ZINC000072359878 176377035 /nfs/dbraw/zinc/37/70/35/176377035.db2.gz DMQJZFPJQKXYRK-LBPRGKRZSA-N 0 3 252.362 1.512 40 0 CDABHN C[C@@]1(C(=O)N2CCOCC2)CN(C2CCCCC2)CCO1 ZINC000072379389 176386417 /nfs/dbraw/zinc/38/64/17/176386417.db2.gz ROUPPRWLGRZFNR-INIZCTEOSA-N 0 3 296.411 1.269 40 0 CDABHN CCN(CC)CC(=O)NCCc1cccc(C(=O)NC)c1 ZINC000077617050 177287265 /nfs/dbraw/zinc/28/72/65/177287265.db2.gz WDCGMXYDZGSKGY-UHFFFAOYSA-N 0 3 291.395 1.047 40 0 CDABHN CCN1CCC2(CC1)c1cc(C(=O)NC)ccc1NC2=O ZINC000105220483 279263073 /nfs/dbraw/zinc/26/30/73/279263073.db2.gz FAMFZAURVLCLGU-UHFFFAOYSA-N 0 3 287.363 1.352 40 0 CDABHN Fc1cccc(N2CCC[C@]3(CNCCO3)C2)c1 ZINC000096226764 303135051 /nfs/dbraw/zinc/13/50/51/303135051.db2.gz XRLWTTAPMUSJBB-AWEZNQCLSA-N 0 3 250.317 1.785 40 0 CDABHN c1cn(C[C@@H]2CO[C@@]3(C2)COCCN(CC2CC2)C3)cn1 ZINC000096052082 185074666 /nfs/dbraw/zinc/07/46/66/185074666.db2.gz PKAXKJCIPPEIKT-HZPDHXFCSA-N 0 3 291.395 1.401 40 0 CDABHN COCCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC000096063971 185083899 /nfs/dbraw/zinc/08/38/99/185083899.db2.gz BOTQCHMKWAFTCY-RYUDHWBXSA-N 0 3 281.381 1.078 40 0 CDABHN COc1cccc([C@H](CO)N2CCCC2)c1OC ZINC000070453274 361970657 /nfs/dbraw/zinc/97/06/57/361970657.db2.gz ZPAOHEAMKXZJSP-LBPRGKRZSA-N 0 3 251.326 1.833 40 0 CDABHN Cc1ccc(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)cc1 ZINC000585283176 342258550 /nfs/dbraw/zinc/25/85/50/342258550.db2.gz QRYNBWDHUDLOIY-IRXDYDNUSA-N 0 3 291.391 1.724 40 0 CDABHN Cc1ccc(OC[C@@]2(O)COCCN(C3CCC3)C2)cc1 ZINC000585284281 342258566 /nfs/dbraw/zinc/25/85/66/342258566.db2.gz WOGSNWUXCVHXBM-KRWDZBQOSA-N 0 3 291.391 1.990 40 0 CDABHN CCCCC[C@]1(O)CCN(C(=O)/C=C/CN(C)C)C[C@@H]1O ZINC000585289265 342258741 /nfs/dbraw/zinc/25/87/41/342258741.db2.gz HAHSRTLDHQTTRD-MNJDHSKXSA-N 0 3 298.427 1.009 40 0 CDABHN COCc1noc([C@@H](C)N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000333449452 362994642 /nfs/dbraw/zinc/99/46/42/362994642.db2.gz RKEPFNQLFHPMRT-NWDGAFQWSA-N 0 3 294.399 1.693 40 0 CDABHN CN1CC[C@@H](N2CCC[C@@H]2C[C@@H](O)c2ccccc2)C1=O ZINC000195531546 363455992 /nfs/dbraw/zinc/45/59/92/363455992.db2.gz NISBGRIODMBHNH-BZUAXINKSA-N 0 3 288.391 1.805 40 0 CDABHN CCN(CC)CCSc1ncnc2[nH]cnc21 ZINC000001722080 355949687 /nfs/dbraw/zinc/94/96/87/355949687.db2.gz GYQUTMCSVJOXJW-UHFFFAOYSA-N 0 3 251.359 1.787 40 0 CDABHN CC(C)Oc1cc(CCC(=O)N[C@@H]2CCCN(C)C2)on1 ZINC000019450527 356485520 /nfs/dbraw/zinc/48/55/20/356485520.db2.gz KVPBTGWGXRMVJM-GFCCVEGCSA-N 0 3 295.383 1.605 40 0 CDABHN C[C@@H](CN1CCCC1)NC(=O)c1ccc2c(c1)ncn2C ZINC000019718641 356496821 /nfs/dbraw/zinc/49/68/21/356496821.db2.gz VAJIYARKCGEFRN-LBPRGKRZSA-N 0 3 286.379 1.787 40 0 CDABHN COc1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 ZINC000019719143 356497106 /nfs/dbraw/zinc/49/71/06/356497106.db2.gz KKPKFIYKTHWUAD-CQSZACIVSA-N 0 3 289.379 1.791 40 0 CDABHN Cc1c(CN2CC[C@H](C(=O)NC3CCCC3)C2)cnn1C ZINC000019747835 356499283 /nfs/dbraw/zinc/49/92/83/356499283.db2.gz CMSNPIJHMGFNMH-ZDUSSCGKSA-N 0 3 290.411 1.609 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000079409959 356992701 /nfs/dbraw/zinc/99/27/01/356992701.db2.gz HLTWTBKSJBHYQY-QWRGUYRKSA-N 0 3 285.388 1.095 40 0 CDABHN CC(C)[C@H](N)C(=O)NCc1ccc(Br)nc1 ZINC000079421654 356996714 /nfs/dbraw/zinc/99/67/14/356996714.db2.gz DTFWGQXIWVTTQB-JTQLQIEISA-N 0 3 286.173 1.444 40 0 CDABHN CN1CCC(NC(=S)Nc2cccnc2)CC1 ZINC000061246507 357450819 /nfs/dbraw/zinc/45/08/19/357450819.db2.gz KVFQGRKGBURTFC-UHFFFAOYSA-N 0 3 250.371 1.462 40 0 CDABHN CO[C@@H]1CC[C@H]2[C@H]1OCCN2CCN1CCCCC1 ZINC000096065741 358707118 /nfs/dbraw/zinc/70/71/18/358707118.db2.gz ZMYWZOLLLLJVGB-RRFJBIMHSA-N 0 3 268.401 1.351 40 0 CDABHN CN(C)C1=NOC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096240286 358724730 /nfs/dbraw/zinc/72/47/30/358724730.db2.gz OYYMWMNCLRHXIC-UHFFFAOYSA-N 0 3 274.368 1.712 40 0 CDABHN Fc1cnc(N2CCO[C@H]3CN(CC4CCC4)C[C@H]32)nc1 ZINC000096248861 358726877 /nfs/dbraw/zinc/72/68/77/358726877.db2.gz QPXMYRIRWRLUGX-KGLIPLIRSA-N 0 3 292.358 1.305 40 0 CDABHN COCCN1CCc2ncnc(NC3CC3)c2CC1 ZINC000096255490 358728773 /nfs/dbraw/zinc/72/87/73/358728773.db2.gz MEUQXWOQJNUISO-UHFFFAOYSA-N 0 3 262.357 1.098 40 0 CDABHN CS[C@H]1CCC[C@H]1N(C)CC(=O)N(C)C1CC1 ZINC000076147573 367003210 /nfs/dbraw/zinc/00/32/10/367003210.db2.gz KCPWTQJIEKOVMT-NEPJUHHUSA-N 0 3 256.415 1.823 40 0 CDABHN Cc1cscc1NC(=O)NC[C@@H]1CNCCO1 ZINC000333117840 205044430 /nfs/dbraw/zinc/04/44/30/205044430.db2.gz HRIAOMJSBJVYRI-VIFPVBQESA-N 0 3 255.343 1.166 40 0 CDABHN CC(C)CCOCCN1CCC[C@H](N2CCNC2=O)C1 ZINC000079355216 374795944 /nfs/dbraw/zinc/79/59/44/374795944.db2.gz KGMBOMOHSGPTHB-AWEZNQCLSA-N 0 3 283.416 1.539 40 0 CDABHN CCOC[C@@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000225633642 375174811 /nfs/dbraw/zinc/17/48/11/375174811.db2.gz CSQLBMVRESQGGG-STQMWFEESA-N 0 3 250.342 1.268 40 0 CDABHN CCOC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217978656 375770489 /nfs/dbraw/zinc/77/04/89/375770489.db2.gz WWPMYTOKVNMVIW-STQMWFEESA-N 0 3 269.366 1.214 40 0 CDABHN Cn1cc(CN2CCC[C@@]3(C)[C@H]2CCCN3C)cn1 ZINC000257278897 190025544 /nfs/dbraw/zinc/02/55/44/190025544.db2.gz OECOGBMJSPSETA-CABCVRRESA-N 0 3 262.401 1.869 40 0 CDABHN O=c1cc(C[C@H]2COCC[N@H+](Cc3ccccc3)C2)nc[n-]1 ZINC000257321247 190033414 /nfs/dbraw/zinc/03/34/14/190033414.db2.gz WAVCABKZBUJQQT-OAHLLOKOSA-N 0 3 299.374 1.873 40 0 CDABHN O=c1cc(C[C@H]2COCC[N@@H+](Cc3ccccc3)C2)nc[n-]1 ZINC000257321247 190033415 /nfs/dbraw/zinc/03/34/15/190033415.db2.gz WAVCABKZBUJQQT-OAHLLOKOSA-N 0 3 299.374 1.873 40 0 CDABHN c1cnc([N-]c2nccc(C3CC[NH2+]CC3)n2)cn1 ZINC000257326479 190034622 /nfs/dbraw/zinc/03/46/22/190034622.db2.gz WXJBVNRWMYVFQF-UHFFFAOYSA-N 0 3 256.313 1.477 40 0 CDABHN CCN1CC[C@@H](NC(=O)C2Cc3ccccc3C2)C1 ZINC000334824749 377671403 /nfs/dbraw/zinc/67/14/03/377671403.db2.gz MOUUWWAEWODECL-OAHLLOKOSA-N 0 3 258.365 1.612 40 0 CDABHN CC(C)(CNC(=O)c1cc[n+]([O-])cc1)N1CCCCC1 ZINC000041298090 379362221 /nfs/dbraw/zinc/36/22/21/379362221.db2.gz CRULLSNFFSXBCZ-UHFFFAOYSA-N 0 3 277.368 1.314 40 0 CDABHN CC(C)C[C@@H](NC(=O)[C@@H](C)N)C(=O)OC(C)(C)C ZINC000001581736 390139685 /nfs/dbraw/zinc/13/96/85/390139685.db2.gz MXDWBAYBLVBWAW-NXEZZACHSA-N 0 3 258.362 1.206 40 0 CDABHN CC(=O)N(C1CC1)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079418125 390421376 /nfs/dbraw/zinc/42/13/76/390421376.db2.gz GUXKDOBCLBMDOV-PIMMBPRGSA-N 0 3 295.427 1.408 40 0 CDABHN O=CN1CCCC[C@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216314 390620749 /nfs/dbraw/zinc/62/07/49/390620749.db2.gz QCKJNJUFQWVOPR-AWEZNQCLSA-N 0 3 274.368 1.175 40 0 CDABHN CN1CC[C@@]23C=C[C@H](O)C[C@@H]2Oc2c3c(ccc2O)C1 ZINC000004102420 391498967 /nfs/dbraw/zinc/49/89/67/391498967.db2.gz OYSGWKOGUVOGFQ-RBOXIYTFSA-N 0 3 273.332 1.547 40 0 in-vitro CDABHN N[C@H](Cc1ccccc1)c1nc(Cn2cccn2)n[nH]1 ZINC000095534873 393149546 /nfs/dbraw/zinc/14/95/46/393149546.db2.gz DCAIXEXLOGVKAO-GFCCVEGCSA-N 0 3 268.324 1.292 40 0 CDABHN CN(C)CCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 ZINC000007586162 170291447 /nfs/dbraw/zinc/29/14/47/170291447.db2.gz FKEIZWZPBFKZLW-UHFFFAOYSA-N 0 3 294.424 1.236 40 0 CDABHN COc1ccc(-c2n[nH]c3c2CNCC3)cc1OC ZINC000020221840 171083667 /nfs/dbraw/zinc/08/36/67/171083667.db2.gz ACDKBVSYIDXPDC-UHFFFAOYSA-N 0 3 259.309 1.740 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165630 171365736 /nfs/dbraw/zinc/36/57/36/171365736.db2.gz HUYPIKDZTWEIMM-ZOWXZIJZSA-N 0 3 294.395 1.813 40 0 CDABHN Cc1cc(CCC(=O)N(C)C)nc(C2CCN(C)CC2)n1 ZINC000072366401 176380876 /nfs/dbraw/zinc/38/08/76/176380876.db2.gz AVQCVAYYRWEQIT-UHFFFAOYSA-N 0 3 290.411 1.615 40 0 CDABHN Cc1nc(C(=O)NC(C)C)cc(C2CCN(C)CC2)n1 ZINC000072387048 176392633 /nfs/dbraw/zinc/39/26/33/176392633.db2.gz OTJQHGUMNNEQCB-UHFFFAOYSA-N 0 3 276.384 1.732 40 0 CDABHN OCCCn1cc(CN2CCC[C@H](O)C2)c2ccccc21 ZINC000072397869 176395703 /nfs/dbraw/zinc/39/57/03/176395703.db2.gz UVXZNOJGBSLHPF-HNNXBMFYSA-N 0 3 288.391 1.980 40 0 CDABHN COc1ccc(CC(=O)NCCN(C)C)cc1C ZINC000074959613 260288508 /nfs/dbraw/zinc/28/85/08/260288508.db2.gz WVYAECMCCIYXBM-UHFFFAOYSA-N 0 3 250.342 1.224 40 0 CDABHN O=C(Nc1ccccc1)C1=NO[C@@]2(C1)CCCNC2 ZINC000096225178 265335914 /nfs/dbraw/zinc/33/59/14/265335914.db2.gz XLZCUKQOQYDCOH-CQSZACIVSA-N 0 3 259.309 1.524 40 0 CDABHN CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057320 185077789 /nfs/dbraw/zinc/07/77/89/185077789.db2.gz NTAWNVJEYFKPLN-MCIONIFRSA-N 0 3 294.420 1.958 40 0 CDABHN CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(C)s2)C1 ZINC000096057646 185077980 /nfs/dbraw/zinc/07/79/80/185077980.db2.gz VNASTJAJLLAAFJ-IACUBPJLSA-N 0 3 294.420 1.782 40 0 CDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2cccs2)cn1 ZINC000096061611 185082217 /nfs/dbraw/zinc/08/22/17/185082217.db2.gz GVMWDQLQXASADU-UONOGXRCSA-N 0 3 277.393 1.660 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)C2CC(F)C2)C[C@@H]2CCCO[C@H]12 ZINC000585108511 342213242 /nfs/dbraw/zinc/21/32/42/342213242.db2.gz PWTFYURJWDGGGU-MGYRSQIZSA-N 0 3 284.375 1.302 40 0 CDABHN CCCN1CCN(C)C(=O)[C@@H](Cc2ccccn2)C1 ZINC000019700823 348736068 /nfs/dbraw/zinc/73/60/68/348736068.db2.gz UKBUOKHPVYGZNW-ZDUSSCGKSA-N 0 3 261.369 1.424 40 0 CDABHN N[C@H](C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12)C1CCC1 ZINC000333236621 362962685 /nfs/dbraw/zinc/96/26/85/362962685.db2.gz DCBLETCAWHEMFF-LJISPDSOSA-N 0 3 256.349 1.568 40 0 CDABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cncn1C)C2 ZINC000108535807 186222368 /nfs/dbraw/zinc/22/23/68/186222368.db2.gz RBLNWRQCEDSKPF-HIFRSBDPSA-N 0 3 276.384 1.158 40 0 CDABHN CCCN1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000019503473 356487447 /nfs/dbraw/zinc/48/74/47/356487447.db2.gz XTXJLVBDAAVWGE-UHFFFAOYSA-N 0 3 286.379 1.451 40 0 CDABHN CCN(C(=O)c1cnc(NC)nc1)C1CCN(C)CC1 ZINC000019656107 356494285 /nfs/dbraw/zinc/49/42/85/356494285.db2.gz OVJMUYATBCVKHZ-UHFFFAOYSA-N 0 3 277.372 1.075 40 0 CDABHN CN(C)c1nccnc1[C@@H]1CCCN1C1CCOCC1 ZINC000072364354 357830980 /nfs/dbraw/zinc/83/09/80/357830980.db2.gz ZKXNTVNVDAXERO-ZDUSSCGKSA-N 0 3 276.384 1.859 40 0 CDABHN C[C@@H]1C[C@H](C)CN(Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397378 357832949 /nfs/dbraw/zinc/83/29/49/357832949.db2.gz BCHDRTJILNPJNE-OKILXGFUSA-N 0 3 290.411 1.791 40 0 CDABHN COCCO[C@@H]1C[C@H]2CN(Cc3ccccn3)CCN2C1 ZINC000096183181 358713306 /nfs/dbraw/zinc/71/33/06/358713306.db2.gz WWROIWGKUFBFHM-JKSUJKDBSA-N 0 3 291.395 1.003 40 0 CDABHN Cn1c(=O)ccc2c1CCN(Cc1ccoc1)CC2 ZINC000096196633 358716309 /nfs/dbraw/zinc/71/63/09/358716309.db2.gz VKTSMQBIXITCKW-UHFFFAOYSA-N 0 3 258.321 1.579 40 0 CDABHN C[C@@H]1N(C)C(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201499 358718262 /nfs/dbraw/zinc/71/82/62/358718262.db2.gz KTPJYPUMOUGRAC-LBPRGKRZSA-N 0 3 294.420 1.960 40 0 CDABHN CCC(=O)N1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2C1 ZINC000096246157 358725948 /nfs/dbraw/zinc/72/59/48/358725948.db2.gz DHSMBPFOBVLFKC-UONOGXRCSA-N 0 3 291.395 1.982 40 0 CDABHN Cc1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096254960 358727749 /nfs/dbraw/zinc/72/77/49/358727749.db2.gz SJEPCBJXDJZIMY-UHFFFAOYSA-N 0 3 254.337 1.781 40 0 CDABHN COc1ccc(-c2nc3c(c(=O)[n-]2)CC[NH2+]C3)cc1 ZINC000132010140 361179445 /nfs/dbraw/zinc/17/94/45/361179445.db2.gz SBWWLNQWKPPZIQ-UHFFFAOYSA-N 0 3 257.293 1.091 40 0 CDABHN CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250104 365043913 /nfs/dbraw/zinc/04/39/13/365043913.db2.gz ARXKOCAAFLCZJU-QLFBSQMISA-N 0 3 297.420 1.487 40 0 CDABHN NC[C@@H](c1ccccc1OC(F)(F)F)N1CCOCC1 ZINC000019254764 367281006 /nfs/dbraw/zinc/28/10/06/367281006.db2.gz LCZGKZFCSMWXEN-NSHDSACASA-N 0 3 290.285 1.917 40 0 CDABHN O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(C1CCOCC1)C2 ZINC000096111769 375057591 /nfs/dbraw/zinc/05/75/91/375057591.db2.gz IEPUTEQHOCQNSJ-JSGCOSHPSA-N 0 3 288.347 1.639 40 0 biogenic,in-vitro CDABHN CN(C)c1cccc(C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000027932863 375162378 /nfs/dbraw/zinc/16/23/78/375162378.db2.gz ZBMPDEROBVWRCX-OAHLLOKOSA-N 0 3 273.380 1.673 40 0 CDABHN CNC(=O)CN1CC[C@H](Cc2ccnc3ccccc23)C1 ZINC000257273879 190024673 /nfs/dbraw/zinc/02/46/73/190024673.db2.gz NIOSZRZJFKYLQH-CYBMUJFWSA-N 0 3 283.375 1.845 40 0 CDABHN COC[C@H]1CN(C)CCN(C(=O)c2ccc(F)cc2)C1 ZINC000257294767 190028353 /nfs/dbraw/zinc/02/83/53/190028353.db2.gz QVQCSINPPKBWGX-LBPRGKRZSA-N 0 3 280.343 1.476 40 0 CDABHN COCCN1CC[C@H]2CN(C(=O)CC(C)C)C[C@H]2C1 ZINC000096081403 285060644 /nfs/dbraw/zinc/06/06/44/285060644.db2.gz OPOXMVYFOCHHCR-UONOGXRCSA-N 0 3 268.401 1.459 40 0 CDABHN O=C1C[C@@]2(CCN(CCO)C2)CN1c1cccc(F)c1 ZINC000096239428 256829753 /nfs/dbraw/zinc/82/97/53/256829753.db2.gz SWNBLDFMJTWMGU-OAHLLOKOSA-N 0 3 278.327 1.247 40 0 CDABHN CNCc1ccc(I)nc1C ZINC000072219690 390622925 /nfs/dbraw/zinc/62/29/25/390622925.db2.gz FYVZPNWHAOZWBW-UHFFFAOYSA-N 0 3 262.094 1.714 40 0 CDABHN Fc1ccc2[nH]c3c(ncnc3N3CCNCC3)c2c1 ZINC000009050935 391555296 /nfs/dbraw/zinc/55/52/96/391555296.db2.gz BDKUPPZIOZIVPN-UHFFFAOYSA-N 0 3 271.299 1.660 40 0 CDABHN CC[C@@H](O)[C@H]1CCCCN1CCN1CCOC1=O ZINC000076325351 392599778 /nfs/dbraw/zinc/59/97/78/392599778.db2.gz PHRBDCPEMDIBGR-VXGBXAGGSA-N 0 3 256.346 1.064 40 0 CDABHN CCN(CC)CCN[C@H](C)C(=O)N1CCc2ccccc21 ZINC000022586271 171393204 /nfs/dbraw/zinc/39/32/04/171393204.db2.gz GENAEMYXVFBVFV-CQSZACIVSA-N 0 3 289.423 1.896 40 0 CDABHN COc1cc(OC)c([C@H](CN)N2CCCC2)c(OC)c1 ZINC000037376718 173165204 /nfs/dbraw/zinc/16/52/04/173165204.db2.gz MWUHPMBXIDAIDT-LBPRGKRZSA-N 0 3 280.368 1.808 40 0 CDABHN O=C(NCCc1ccccc1)c1cncc([C@H]2CCCN2)n1 ZINC000072365581 176380570 /nfs/dbraw/zinc/38/05/70/176380570.db2.gz TXMWGPNYALXTAD-CQSZACIVSA-N 0 3 296.374 1.874 40 0 CDABHN c1cc([C@@H]2CCCCN2)nc(Nc2cncnc2)n1 ZINC000072376747 176385107 /nfs/dbraw/zinc/38/51/07/176385107.db2.gz PJWHWYXNISAFRW-NSHDSACASA-N 0 3 256.313 1.825 40 0 CDABHN CN1CCC[C@@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382863 176387905 /nfs/dbraw/zinc/38/79/05/176387905.db2.gz XYHFLLYGORLYLT-ZDUSSCGKSA-N 0 3 288.395 1.597 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079409640 298948064 /nfs/dbraw/zinc/94/80/64/298948064.db2.gz KZEPYOWDSSZRPE-SRVKXCTJSA-N 0 3 299.415 1.628 40 0 CDABHN Cc1cc(N2CCNC[C@H]2c2ccccc2)ncn1 ZINC000257275627 301338965 /nfs/dbraw/zinc/33/89/65/301338965.db2.gz NQEGNYJSRJWIPY-AWEZNQCLSA-N 0 3 254.337 1.936 40 0 CDABHN N[C@@H](c1nnc(Cn2cccn2)[nH]1)c1ccccc1 ZINC000095533429 185006758 /nfs/dbraw/zinc/00/67/58/185006758.db2.gz BKYFGSXQPHXWQX-GFCCVEGCSA-N 0 3 254.297 1.098 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cccc(Cl)c2)C[C@H]1O ZINC000205681812 342572486 /nfs/dbraw/zinc/57/24/86/342572486.db2.gz LEZPWGBWQAJMHK-VXGBXAGGSA-N 0 3 268.744 1.087 40 0 CDABHN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC000096056463 185077168 /nfs/dbraw/zinc/07/71/68/185077168.db2.gz URUVNTWGDQTZMM-VXGBXAGGSA-N 0 3 250.367 1.943 40 0 CDABHN COCCN1CCN(CC2CC2)Cc2cccnc21 ZINC000096060939 185083374 /nfs/dbraw/zinc/08/33/74/185083374.db2.gz XXTLQNQNWFVVJF-UHFFFAOYSA-N 0 3 261.369 1.760 40 0 CDABHN Cn1cc(CN2CC[C@@H]3O[C@@H](c4ccncn4)C[C@H]3C2)cn1 ZINC000096070570 185086827 /nfs/dbraw/zinc/08/68/27/185086827.db2.gz YPWAOSOFXBIBKF-CWRNSKLLSA-N 0 3 299.378 1.562 40 0 CDABHN CCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1cccc(C)n1 ZINC000096081182 185090940 /nfs/dbraw/zinc/09/09/40/185090940.db2.gz MXOBEFGLJUQCRZ-UONOGXRCSA-N 0 3 259.353 1.585 40 0 CDABHN c1ccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)nc1 ZINC000096084109 185092492 /nfs/dbraw/zinc/09/24/92/185092492.db2.gz NNHFNAVLOVUWDR-UHFFFAOYSA-N 0 3 297.406 1.959 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC ZINC000096110972 185100729 /nfs/dbraw/zinc/10/07/29/185100729.db2.gz RMTHSGVXJAFBHS-ARFHVFGLSA-N 0 3 288.391 1.868 40 0 CDABHN CNCC(=O)N1CC[C@](COc2cccc(F)c2)(OC)C1 ZINC000585273065 342255819 /nfs/dbraw/zinc/25/58/19/342255819.db2.gz ABEOOYSRLPAVOO-HNNXBMFYSA-N 0 3 296.342 1.041 40 0 CDABHN Cc1cccc(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)n1 ZINC000585292805 342259000 /nfs/dbraw/zinc/25/90/00/342259000.db2.gz OIHQAAVLXHTQEX-KZNAEPCWSA-N 0 3 298.386 1.711 40 0 CDABHN C[C@H]1CN([C@@H](CN)c2ccc3c(c2)CCO3)C[C@H](C)O1 ZINC000037363640 343164696 /nfs/dbraw/zinc/16/46/96/343164696.db2.gz RDVDUFLJQMMCNS-HUBLWGQQSA-N 0 3 276.380 1.731 40 0 CDABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260292 186164843 /nfs/dbraw/zinc/16/48/43/186164843.db2.gz DVLZWPLMKDAPIO-HOTGVXAUSA-N 0 3 258.365 1.881 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000157566670 188325365 /nfs/dbraw/zinc/32/53/65/188325365.db2.gz CGPJNKRPAIQEAO-AWEZNQCLSA-N 0 3 299.484 1.544 40 0 CDABHN O=C(N[C@@H]1CCC[C@@H](CO)C1)C1CN(C2CCCCC2)C1 ZINC000334057347 363408225 /nfs/dbraw/zinc/40/82/25/363408225.db2.gz WCSLOMZNMSSVTP-UKRRQHHQSA-N 0 3 294.439 1.918 40 0 CDABHN CCN(CC)CCN1C(=O)COc2ncc(Cl)cc21 ZINC000005715200 356059428 /nfs/dbraw/zinc/05/94/28/356059428.db2.gz RHSJMVFCKOFJTL-UHFFFAOYSA-N 0 3 283.759 1.802 40 0 CDABHN Cc1nc(CCC(N)=O)cc([C@@H]2CCCN2C(C)C)n1 ZINC000072366557 357831280 /nfs/dbraw/zinc/83/12/80/357831280.db2.gz IEDDUQVLUGAFLT-AWEZNQCLSA-N 0 3 276.384 1.748 40 0 CDABHN Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3CC2CC2)cn1 ZINC000096186514 358714421 /nfs/dbraw/zinc/71/44/21/358714421.db2.gz XKENXDTVVZHRMX-ZIAGYGMSSA-N 0 3 274.368 1.400 40 0 CDABHN O=C1CCC2(CCN(CCO)CC2)N1Cc1ccncc1 ZINC000096228318 358723881 /nfs/dbraw/zinc/72/38/81/358723881.db2.gz OCAYXOSDNJXICR-UHFFFAOYSA-N 0 3 289.379 1.031 40 0 CDABHN OCCN1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC000096239817 358724676 /nfs/dbraw/zinc/72/46/76/358724676.db2.gz RWGQXEWBUALLBJ-CYBMUJFWSA-N 0 3 298.337 1.006 40 0 CDABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000096252906 358728023 /nfs/dbraw/zinc/72/80/23/358728023.db2.gz WWOUFUXPKOXBOC-HZSPNIEDSA-N 0 3 268.401 1.646 40 0 CDABHN Cc1cccc(-c2nsc(N3CCNCC3)n2)c1 ZINC000216642985 358954772 /nfs/dbraw/zinc/95/47/72/358954772.db2.gz PXIQXGZYPRZLEO-UHFFFAOYSA-N 0 3 260.366 1.923 40 0 CDABHN COC[C@H]1C[C@@H](NCc2cccc(Cl)c2)[C@H](O)[C@@H]1O ZINC000225508652 374580284 /nfs/dbraw/zinc/58/02/84/374580284.db2.gz WNPTVANSMWQYFG-ZRJCITRHSA-N 0 3 285.771 1.186 40 0 biogenic,in-vitro CDABHN FC(F)n1nccc1CNCCCN1CCOCC1 ZINC000256050878 190002834 /nfs/dbraw/zinc/00/28/34/190002834.db2.gz GVLLHPOTEHHTCL-UHFFFAOYSA-N 0 3 274.315 1.090 40 0 CDABHN Cc1noc(C)c1-c1cc(CC[C@@H]2CNCCO2)ncn1 ZINC000257245087 190019338 /nfs/dbraw/zinc/01/93/38/190019338.db2.gz IOAWGOJDJMEHBR-CYBMUJFWSA-N 0 3 288.351 1.669 40 0 CDABHN Cc1nccc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)n1 ZINC000257289925 190027405 /nfs/dbraw/zinc/02/74/05/190027405.db2.gz QAVAOWCKSUVKQL-HOCLYGCPSA-N 0 3 288.395 1.874 40 0 CDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cc(F)ccc2F)C1 ZINC000257310410 190031778 /nfs/dbraw/zinc/03/17/78/190031778.db2.gz UEZAGOAQHMZUOM-LBPRGKRZSA-N 0 3 297.349 1.074 40 0 CDABHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CNCC2 ZINC000238801072 376013756 /nfs/dbraw/zinc/01/37/56/376013756.db2.gz XNWFUTXQCYIPOV-YGRLFVJLSA-N 0 3 284.356 1.149 40 0 CDABHN CN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCO)CC2 ZINC000096261140 256837824 /nfs/dbraw/zinc/83/78/24/256837824.db2.gz HMWXSJQXUCSFQP-OAHLLOKOSA-N 0 3 288.391 1.459 40 0 CDABHN NCC(=O)N1CC[C@H](N(Cc2ccccc2)C2CC2)C1 ZINC000079393809 390421223 /nfs/dbraw/zinc/42/12/23/390421223.db2.gz NACRROLINSVOBU-HNNXBMFYSA-N 0 3 273.380 1.211 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000409425411 390554549 /nfs/dbraw/zinc/55/45/49/390554549.db2.gz LVFGRRVZZXIYBW-LLVKDONJSA-N 0 3 281.360 1.309 40 0 CDABHN CO[C@H](C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@H]12)C(C)C ZINC000008618659 170343247 /nfs/dbraw/zinc/34/32/47/170343247.db2.gz AORFDVNAPHMKAU-XNRPHZJLSA-N 0 3 297.395 1.356 40 0 CDABHN CN(C)CCNC(=O)CSCc1ccc(F)cc1 ZINC000020457273 171208687 /nfs/dbraw/zinc/20/86/87/171208687.db2.gz QRFRYECSOUOAIJ-UHFFFAOYSA-N 0 3 270.373 1.737 40 0 CDABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3)n2)cn1 ZINC000035425475 172193255 /nfs/dbraw/zinc/19/32/55/172193255.db2.gz IOXIQVDHSCXDHZ-NSHDSACASA-N 0 3 290.323 1.581 40 0 biogenic,in-vitro CDABHN CCOCC(=O)NCC1CCN(Cc2ccco2)CC1 ZINC000038583715 174148647 /nfs/dbraw/zinc/14/86/47/174148647.db2.gz QZNWVMZHOYPHGR-UHFFFAOYSA-N 0 3 280.368 1.644 40 0 CDABHN CCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 ZINC000038583501 174148689 /nfs/dbraw/zinc/14/86/89/174148689.db2.gz QKYWDQZPOKEYBM-UHFFFAOYSA-N 0 3 296.436 1.838 40 0 CDABHN Cn1ccnc1CNc1cncc([C@@H]2CCCN(C)C2)n1 ZINC000072365425 176380540 /nfs/dbraw/zinc/38/05/40/176380540.db2.gz YILAZSLNWVJNGD-GFCCVEGCSA-N 0 3 286.383 1.631 40 0 CDABHN CN1CCC[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087384 423939239 /nfs/dbraw/zinc/93/92/39/423939239.db2.gz LNEZLZQNIHGLNV-GOSISDBHSA-N 0 3 299.418 1.983 40 0 CDABHN O=c1ccn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 ZINC000022055476 275044107 /nfs/dbraw/zinc/04/41/07/275044107.db2.gz QDYUSAJJDOBXBM-UHFFFAOYSA-N 0 3 287.338 1.885 40 0 in-vitro CDABHN O=c1[nH]c(N2CCN3CCC[C@H]3C2)nc2ccccc21 ZINC000242701554 275062132 /nfs/dbraw/zinc/06/21/32/275062132.db2.gz WIGUXPUMEWFJAL-NSHDSACASA-N 0 3 270.336 1.620 40 0 CDABHN CC(=O)NC1CCN(Cc2ccccc2N(C)C)CC1 ZINC000072584651 275779481 /nfs/dbraw/zinc/77/94/81/275779481.db2.gz ZZMUGSXVUDJKMM-UHFFFAOYSA-N 0 3 275.396 1.853 40 0 CDABHN CC(=O)Nc1ccc(OC[C@H](O)CN2CCCC2)cc1 ZINC000006304905 277080860 /nfs/dbraw/zinc/08/08/60/277080860.db2.gz FHLMBSXYJBELQN-CQSZACIVSA-N 0 3 278.352 1.481 40 0 CDABHN C[C@@H]([NH3+])c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534675 278319099 /nfs/dbraw/zinc/31/90/99/278319099.db2.gz JXOVRGQJESHOEM-SCSAIBSYSA-N 0 3 257.091 1.847 40 0 CDABHN C[C@@H](N)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534675 278319100 /nfs/dbraw/zinc/31/91/00/278319100.db2.gz JXOVRGQJESHOEM-SCSAIBSYSA-N 0 3 257.091 1.847 40 0 CDABHN c1ccc(CO[C@@H]2C[C@@H]3CN(CC4CC4)CCN3C2)nc1 ZINC000096055124 185075874 /nfs/dbraw/zinc/07/58/74/185075874.db2.gz XFZIQEZBAUMNGZ-IAGOWNOFSA-N 0 3 287.407 1.767 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cccn2C)C[C@@H]2CCCO[C@H]12 ZINC000096065165 185084271 /nfs/dbraw/zinc/08/42/71/185084271.db2.gz BHKLALWTIGXOPY-CFVMTHIKSA-N 0 3 291.395 1.206 40 0 CDABHN Cc1cccc(N2CC[C@H]3[C@@H]2CCN3Cc2cnn(C)c2)n1 ZINC000096063975 185084302 /nfs/dbraw/zinc/08/43/02/185084302.db2.gz SAYGZLGRSMOSSE-HOTGVXAUSA-N 0 3 297.406 1.977 40 0 CDABHN COCCN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072448 185088421 /nfs/dbraw/zinc/08/84/21/185088421.db2.gz QFUGTLDKZSMHCV-GJZGRUSLSA-N 0 3 278.352 1.340 40 0 CDABHN COc1cccc(CN2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 ZINC000096107935 185099974 /nfs/dbraw/zinc/09/99/74/185099974.db2.gz JCXRBHOFZVLSQL-GOEBONIOSA-N 0 3 276.380 1.458 40 0 CDABHN c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CC2)nc1 ZINC000253591102 362439778 /nfs/dbraw/zinc/43/97/78/362439778.db2.gz JMZBQEXKEWXMMM-ZNMIVQPWSA-N 0 3 289.379 1.745 40 0 CDABHN CN1CCC[C@@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250796 362580551 /nfs/dbraw/zinc/58/05/51/362580551.db2.gz JOAQLSGPYBQTJS-MRVPVSSYSA-N 0 3 285.273 1.952 40 0 CDABHN Cc1nn(C)cc1CN1CCC2(CCC(=O)NC2)CC1 ZINC000108531763 186222234 /nfs/dbraw/zinc/22/22/34/186222234.db2.gz VSSZIZJKRXSAMI-UHFFFAOYSA-N 0 3 276.384 1.221 40 0 CDABHN O=C(CN[C@@H]1CCCSC1)NC1CCCCC1 ZINC000167462729 363246163 /nfs/dbraw/zinc/24/61/63/363246163.db2.gz OWBGULDHZXYTQG-GFCCVEGCSA-N 0 3 256.415 1.921 40 0 CDABHN Ic1ccc2c(c1)CNCC2 ZINC000012503940 283041122 /nfs/dbraw/zinc/04/11/22/283041122.db2.gz FFCFXJXBXUOFIU-UHFFFAOYSA-N 0 3 259.090 1.937 40 0 in-vivo CDABHN CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391252 356987953 /nfs/dbraw/zinc/98/79/53/356987953.db2.gz PUJKMNIFCDUXSQ-NWDGAFQWSA-N 0 3 299.415 1.439 40 0 CDABHN CN(C[C@@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407912 356991147 /nfs/dbraw/zinc/99/11/47/356991147.db2.gz FJCKMBBHVDETNU-LBPRGKRZSA-N 0 3 272.389 1.558 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404646 356991441 /nfs/dbraw/zinc/99/14/41/356991441.db2.gz WBPPPFVISLBPTQ-HOTGVXAUSA-N 0 3 289.423 1.703 40 0 CDABHN C[C@H](N)C(=O)NCc1ccccc1Br ZINC000042419498 357066180 /nfs/dbraw/zinc/06/61/80/357066180.db2.gz XHRKEPDFQGOKBZ-ZETCQYMHSA-N 0 3 257.131 1.413 40 0 CDABHN CN1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000074861057 357929021 /nfs/dbraw/zinc/92/90/21/357929021.db2.gz BOQWKBHNJMHSCD-UHFFFAOYSA-N 0 3 272.270 1.928 40 0 CDABHN O=c1[nH]c2ccccc2cc1CNC[C@@H]1CCCO1 ZINC000013998889 358827288 /nfs/dbraw/zinc/82/72/88/358827288.db2.gz ADVRDAPKXBOLAQ-ZDUSSCGKSA-N 0 3 258.321 1.797 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccs2)N1 ZINC000022238432 359048187 /nfs/dbraw/zinc/04/81/87/359048187.db2.gz LRDQGPVDAFDJEJ-LLVKDONJSA-N 0 3 297.343 1.745 40 0 CDABHN CN1C(=O)c2cccnc2O[C@H]2CN(C3CCCC3)C[C@H]21 ZINC000514290184 360126029 /nfs/dbraw/zinc/12/60/29/360126029.db2.gz URXDVXVCODBKTQ-KGLIPLIRSA-N 0 3 287.363 1.541 40 0 biogenic,in-vitro CDABHN CS[C@H]1CCC[C@@H]1N(C)CC(=O)NCc1cccnc1 ZINC000076146344 367003282 /nfs/dbraw/zinc/00/32/82/367003282.db2.gz DWXKTPNKHXATGG-KBPBESRZSA-N 0 3 293.436 1.914 40 0 CDABHN COCCS(=O)(=O)C(C)C(=O)N(C)C1CCCCC1 ZINC000076210060 367013958 /nfs/dbraw/zinc/01/39/58/367013958.db2.gz YOMXDKZQWCUUAV-LLVKDONJSA-N 0 3 291.413 1.227 40 0 CDABHN CCN(CC)CCNCc1ccnn1CC(C)C ZINC000256051564 190003754 /nfs/dbraw/zinc/00/37/54/190003754.db2.gz JQZAVPSMYTUKIS-UHFFFAOYSA-N 0 3 252.406 1.971 40 0 CDABHN Cn1ncc(CNCCCCO)c1C(F)(F)F ZINC000256052759 190004382 /nfs/dbraw/zinc/00/43/82/190004382.db2.gz ONUAXFAHEGQYMW-UHFFFAOYSA-N 0 3 251.252 1.301 40 0 CDABHN CN1CCC[C@@H]1C(=O)N1CCC(c2cnccn2)CC1 ZINC000257209504 190012677 /nfs/dbraw/zinc/01/26/77/190012677.db2.gz BQRHDKJGQHDANL-CQSZACIVSA-N 0 3 274.368 1.277 40 0 CDABHN Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC000257238623 190018174 /nfs/dbraw/zinc/01/81/74/190018174.db2.gz HLVPVYOHWJOYMK-GFCCVEGCSA-N 0 3 273.340 1.239 40 0 CDABHN CNC(=O)c1cc(C[C@H]2CCCN(C)C2)nc(C)n1 ZINC000257247379 190019660 /nfs/dbraw/zinc/01/96/60/190019660.db2.gz IYTRDNOHYJSUFS-LLVKDONJSA-N 0 3 262.357 1.029 40 0 CDABHN Cc1n[nH]cc1CN1CCC2(CC(Nc3ccncn3)C2)C1 ZINC000257249314 190020099 /nfs/dbraw/zinc/02/00/99/190020099.db2.gz JHQJAUJHKQMOIP-UHFFFAOYSA-N 0 3 298.394 1.975 40 0 CDABHN Cn1cc(CN2CCC[C@H]3N(C)CCC[C@@]32C)cn1 ZINC000257271285 190024162 /nfs/dbraw/zinc/02/41/62/190024162.db2.gz MXRMKTSLVLKDNT-CABCVRRESA-N 0 3 262.401 1.869 40 0 CDABHN COCCN1CCC[C@@H]1c1nccnc1-c1cc[nH]n1 ZINC000257305774 190030960 /nfs/dbraw/zinc/03/09/60/190030960.db2.gz SRLZAKDICDGENJ-GFCCVEGCSA-N 0 3 273.340 1.650 40 0 CDABHN COc1ccc([C@H]2CN(Cc3cnc[nH]3)CCN2C)cc1 ZINC000257319040 190033310 /nfs/dbraw/zinc/03/33/10/190033310.db2.gz VQKQIPKSCGGDQU-MRXNPFEDSA-N 0 3 286.379 1.907 40 0 CDABHN Cn1nccc1CN1CCC[C@@]2(C)[C@H]1CCCN2C ZINC000257327254 190034768 /nfs/dbraw/zinc/03/47/68/190034768.db2.gz XARHLMNETOXJKM-CABCVRRESA-N 0 3 262.401 1.869 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@]1(CN)COC ZINC000242543370 390276106 /nfs/dbraw/zinc/27/61/06/390276106.db2.gz JYQUWIOREHRYDE-KFWWJZLASA-N 0 3 297.420 1.487 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409536 390421077 /nfs/dbraw/zinc/42/10/77/390421077.db2.gz QDAGZZYGPUZUSQ-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN c1cncc(N2CCO[C@H]3CN(C[C@H]4CCOC4)C[C@H]32)c1 ZINC000107801666 390588480 /nfs/dbraw/zinc/58/84/80/390588480.db2.gz SFVFBDLXHMYXQE-BMFZPTHFSA-N 0 3 289.379 1.008 40 0 CDABHN Cn1nc(CNC(=O)OC(C)(C)C)c2c1CCNC2 ZINC000072209780 390619257 /nfs/dbraw/zinc/61/92/57/390619257.db2.gz HQIYMTFGPHZTMU-UHFFFAOYSA-N 0 3 266.345 1.091 40 0 CDABHN CC(C)n1c(=O)c2cnccc2nc1[C@H]1CCCN1 ZINC000252489435 392795038 /nfs/dbraw/zinc/79/50/38/392795038.db2.gz JRCDUZKTGUEYAO-GFCCVEGCSA-N 0 3 258.325 1.797 40 0 CDABHN COc1ccc(C(=O)OCCN(C)C)cc1OC ZINC000005248074 170078742 /nfs/dbraw/zinc/07/87/42/170078742.db2.gz WBQBNIPKJJKMNQ-UHFFFAOYSA-N 0 3 253.298 1.422 40 0 CDABHN CO[C@@H](C)[C@@](O)(C(=O)OCC1=CCN2CCC[C@H]12)C(C)C ZINC000008618661 170343215 /nfs/dbraw/zinc/34/32/15/170343215.db2.gz AORFDVNAPHMKAU-JGGQBBKZSA-N 0 3 297.395 1.356 40 0 CDABHN Cc1cccc(C)c1NC(=O)CNCCN1CCOCC1 ZINC000035311498 172121961 /nfs/dbraw/zinc/12/19/61/172121961.db2.gz FUHOHSVVEPCFKA-UHFFFAOYSA-N 0 3 291.395 1.164 40 0 CDABHN COC[C@H]1CNCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072343684 176372300 /nfs/dbraw/zinc/37/23/00/176372300.db2.gz ACBMVNXTIKNHCQ-NSHDSACASA-N 0 3 282.771 1.648 40 0 CDABHN COCc1nnc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000072367451 176381999 /nfs/dbraw/zinc/38/19/99/176381999.db2.gz ZDWHVYTUMSLWRW-CHWSQXEVSA-N 0 3 295.383 1.699 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397677 176394961 /nfs/dbraw/zinc/39/49/61/176394961.db2.gz CXRGNYDKPUQGJC-DDTOSNHZSA-N 0 3 282.334 1.604 40 0 CDABHN Cc1cc2c(cc1CN1CCC[C@H](CO)C1)OCO2 ZINC000072397876 176395646 /nfs/dbraw/zinc/39/56/46/176395646.db2.gz PXJVUWDPNBJNIO-LBPRGKRZSA-N 0 3 263.337 1.928 40 0 CDABHN CCc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260762997 328066898 /nfs/dbraw/zinc/06/68/98/328066898.db2.gz HYHHXXWOSLHMER-GFCCVEGCSA-N 0 3 254.355 1.116 40 0 CDABHN CCOCCCNC(=O)C[C@H](N)c1ccccc1 ZINC000019482771 521711167 /nfs/dbraw/zinc/71/11/67/521711167.db2.gz OWFUZIYJXLRVAY-ZDUSSCGKSA-N 0 3 250.342 1.619 40 0 CDABHN CCOc1ccc([C@@H](N)c2n[nH]c(C)n2)cc1OCC ZINC000095534499 185006403 /nfs/dbraw/zinc/00/64/03/185006403.db2.gz QRSOISCMKRBDDS-CYBMUJFWSA-N 0 3 276.340 1.959 40 0 CDABHN Cc1ccc(CN[C@@H]2CCc3[nH]c(=O)ccc3C2)o1 ZINC000096067513 185085788 /nfs/dbraw/zinc/08/57/88/185085788.db2.gz SZQMQYZLZHHUSX-GFCCVEGCSA-N 0 3 258.321 1.923 40 0 CDABHN O=C1C[C@H]2[C@@H](CCN2Cc2ccncc2)N1CC1CC1 ZINC000096081286 185091258 /nfs/dbraw/zinc/09/12/58/185091258.db2.gz KOYGPXBKSNQJAG-CABCVRRESA-N 0 3 271.364 1.667 40 0 CDABHN CCCCN1CCC[C@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101298 342212334 /nfs/dbraw/zinc/21/23/34/342212334.db2.gz WGPJCZKHPTWNIZ-ZDUSSCGKSA-N 0 3 253.346 1.143 40 0 CDABHN COCC[C@@H]1CCOC12CCN(Cc1cnn(C)c1)CC2 ZINC000585102873 342212564 /nfs/dbraw/zinc/21/25/64/342212564.db2.gz LPGKVCGYNDAVHY-OAHLLOKOSA-N 0 3 293.411 1.828 40 0 CDABHN CN1CCC(C(=O)N2CCNC[C@@H]2c2ccccc2)CC1 ZINC000257318083 362585602 /nfs/dbraw/zinc/58/56/02/362585602.db2.gz VMLFTHBYLOWNTJ-MRXNPFEDSA-N 0 3 287.407 1.501 40 0 CDABHN c1cnnc(N[C@@H]2CC[C@@H]3CN(Cc4cncnc4)C[C@H]23)c1 ZINC000257344200 362588341 /nfs/dbraw/zinc/58/83/41/362588341.db2.gz ZWDNHKUWSULSHM-QLFBSQMISA-N 0 3 296.378 1.589 40 0 CDABHN CC[NH+](CC)CCCNC(=O)c1ccc(N)cc1[O-] ZINC000001733840 355950915 /nfs/dbraw/zinc/95/09/15/355950915.db2.gz YWGKSDGQWZVOQM-UHFFFAOYSA-N 0 3 265.357 1.436 40 0 CDABHN [NH3+][C@H](Cc1cc(=O)[n-]c(C2CC2)n1)c1ccccc1 ZINC000019369261 356483081 /nfs/dbraw/zinc/48/30/81/356483081.db2.gz HXGRFEYEFSYRLH-CYBMUJFWSA-N 0 3 255.321 1.890 40 0 CDABHN CCC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019498542 356488050 /nfs/dbraw/zinc/48/80/50/356488050.db2.gz PVTRSLMCVIYUCG-UHFFFAOYSA-N 0 3 274.368 1.238 40 0 CDABHN CN(C[C@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079407880 356991230 /nfs/dbraw/zinc/99/12/30/356991230.db2.gz IJSLDRLGZISIDT-LLVKDONJSA-N 0 3 258.362 1.168 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nc1 ZINC000079421680 356996605 /nfs/dbraw/zinc/99/66/05/356996605.db2.gz SQQQMUWXKHYRAW-NSHDSACASA-N 0 3 255.749 1.677 40 0 CDABHN COc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@H](C)C1 ZINC000036092759 357270659 /nfs/dbraw/zinc/27/06/59/357270659.db2.gz VYATYFLJNUSCQT-BZPMIXESSA-N 0 3 264.369 1.804 40 0 CDABHN COc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1OC ZINC000027932418 357947595 /nfs/dbraw/zinc/94/75/95/357947595.db2.gz QVEXLZPLUKRTBR-ZDUSSCGKSA-N 0 3 290.363 1.624 40 0 CDABHN Cc1ccsc1C(=O)N1CCN2CCC[C@H]2C1 ZINC000027932520 357949261 /nfs/dbraw/zinc/94/92/61/357949261.db2.gz DFFZSMVMBMPKMY-NSHDSACASA-N 0 3 250.367 1.977 40 0 CDABHN COc1cc(OC)c2nccc(N3CCNCC3)c2c1 ZINC000077255281 358015779 /nfs/dbraw/zinc/01/57/79/358015779.db2.gz DGJSOCREVVTLGP-UHFFFAOYSA-N 0 3 273.336 1.662 40 0 CDABHN Cc1cc(N2CCNCC2)nc(-c2ccccc2)n1 ZINC000008731083 358388358 /nfs/dbraw/zinc/38/83/58/358388358.db2.gz ZVPVJYGANFVGLV-UHFFFAOYSA-N 0 3 254.337 1.862 40 0 CDABHN CCN1CCC2(CN(C(=O)NCc3ccccc3)C2)C1 ZINC000096202739 358719102 /nfs/dbraw/zinc/71/91/02/358719102.db2.gz MMDJRHNVVASERJ-UHFFFAOYSA-N 0 3 273.380 1.924 40 0 CDABHN CC(C)(C)c1ccc(CN2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222539221 359351924 /nfs/dbraw/zinc/35/19/24/359351924.db2.gz LHBKZNDAWXZZQW-AWEZNQCLSA-N 0 3 296.436 1.847 40 0 CDABHN CN1C(=O)c2cccnc2O[C@H]2CN(C3CCC3)C[C@H]21 ZINC000514289729 360119964 /nfs/dbraw/zinc/11/99/64/360119964.db2.gz NWMPLMILXZPERC-OLZOCXBDSA-N 0 3 273.336 1.151 40 0 biogenic,in-vitro CDABHN CCOC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013545 367259941 /nfs/dbraw/zinc/25/99/41/367259941.db2.gz HUWQZPKWFVVEMZ-HZSPNIEDSA-N 0 3 283.393 1.179 40 0 CDABHN Cc1nc2c(s1)CNCC21CCN(C(=O)N(C)C)CC1 ZINC000306143776 374972832 /nfs/dbraw/zinc/97/28/32/374972832.db2.gz YLVJWDAXYRIXSA-UHFFFAOYSA-N 0 3 294.424 1.570 40 0 CDABHN COC(=O)[C@@H]1C[C@H](O)CN1C[C@H]1C(C)=CCC[C@@H]1C ZINC000230311831 375561061 /nfs/dbraw/zinc/56/10/61/375561061.db2.gz GVMYSEUEEJARIT-XUXIUFHCSA-N 0 3 267.369 1.587 40 0 CDABHN CCN(CC)CCNCc1cnn(C)c1C(F)(F)F ZINC000256050462 190003265 /nfs/dbraw/zinc/00/32/65/190003265.db2.gz FCEHFSFSDJGWNH-UHFFFAOYSA-N 0 3 278.322 1.870 40 0 CDABHN Cc1c[nH]nc1[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000257201477 190011119 /nfs/dbraw/zinc/01/11/19/190011119.db2.gz AHVRZNSFWZVUOF-CYBMUJFWSA-N 0 3 259.357 1.831 40 0 CDABHN Cc1c[nH]nc1[C@@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000257288285 190026764 /nfs/dbraw/zinc/02/67/64/190026764.db2.gz PTPJVTAWHTZZPS-GFCCVEGCSA-N 0 3 257.341 1.806 40 0 CDABHN CC(=O)N1CCC(N2CC[C@@H](c3nccc(C)n3)C2)CC1 ZINC000257333304 190035641 /nfs/dbraw/zinc/03/56/41/190035641.db2.gz YBALMMPAUMWYJU-CQSZACIVSA-N 0 3 288.395 1.585 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccc3c(c2)CCO3)C[C@@H](C)O1 ZINC000108350266 412999214 /nfs/dbraw/zinc/99/92/14/412999214.db2.gz RDVDUFLJQMMCNS-LALPHHSUSA-N 0 3 276.380 1.731 40 0 CDABHN O=c1n([O-])c2cc(Cl)ccc2n1C1CC[NH2+]CC1 ZINC000095933113 285225170 /nfs/dbraw/zinc/22/51/70/285225170.db2.gz BBTFZGKARTWTFE-UHFFFAOYSA-N 0 3 267.716 1.618 40 0 CDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccsc2)C1 ZINC000257275080 397607402 /nfs/dbraw/zinc/60/74/02/397607402.db2.gz NNVKGWFZLBKZTP-CYBMUJFWSA-N 0 3 281.425 1.200 40 0 CDABHN COC[C@H](C)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000006792089 170244565 /nfs/dbraw/zinc/24/45/65/170244565.db2.gz IVFCYQSRCUEEFR-ZDUSSCGKSA-N 0 3 291.395 1.445 40 0 CDABHN COc1cc(OC)c([C@@H](CN)N2CCOCC2)c(OC)c1 ZINC000037376721 173165194 /nfs/dbraw/zinc/16/51/94/173165194.db2.gz PSKRLELIWZGQBO-GFCCVEGCSA-N 0 3 296.367 1.044 40 0 CDABHN CN1CCC[C@@H](c2ccnc(Nc3cncnc3)n2)C1 ZINC000072377395 176386090 /nfs/dbraw/zinc/38/60/90/176386090.db2.gz PLTQPIJFWJYSAI-LLVKDONJSA-N 0 3 270.340 1.819 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000079419992 277903008 /nfs/dbraw/zinc/90/30/08/277903008.db2.gz BNBBHFZRXZGYSE-LBPRGKRZSA-N 0 3 299.415 1.439 40 0 CDABHN Cc1c[nH]nc1[C@H]1COCCN1C1CCN(C)CC1 ZINC000257336200 302330220 /nfs/dbraw/zinc/33/02/20/302330220.db2.gz YNNDFULJNQUTFF-CYBMUJFWSA-N 0 3 264.373 1.186 40 0 CDABHN CCOC(=O)C1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000074920950 567903658 /nfs/dbraw/zinc/90/36/58/567903658.db2.gz XXFUDJJPKXJALX-UHFFFAOYSA-N 0 3 296.411 1.520 40 0 CDABHN CC(=O)Nc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713392 567903712 /nfs/dbraw/zinc/90/37/12/567903712.db2.gz UCKXNOQMSJSGRX-UHFFFAOYSA-N 0 3 275.352 1.925 40 0 CDABHN CCN(C)c1ncnc2c1CCN(CC1CC1)CC2 ZINC000096058812 185078785 /nfs/dbraw/zinc/07/87/85/185078785.db2.gz DYBINLPFVOYFEE-UHFFFAOYSA-N 0 3 260.385 1.743 40 0 CDABHN Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)o1 ZINC000096061616 185082920 /nfs/dbraw/zinc/08/29/20/185082920.db2.gz XTIPRLCHKLVWJP-LSDHHAIUSA-N 0 3 275.352 1.499 40 0 CDABHN Cc1nocc1C(=O)N1CCC2(C[C@H](N(C)C)CO2)CC1 ZINC000096074120 185087788 /nfs/dbraw/zinc/08/77/88/185087788.db2.gz QMRIXNXKSMBLBD-LBPRGKRZSA-N 0 3 293.367 1.308 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(Cc3ccoc3)C[C@@H]2O1 ZINC000096100354 185098271 /nfs/dbraw/zinc/09/82/71/185098271.db2.gz QQJRHVVBGOVFOK-MCIONIFRSA-N 0 3 250.342 1.431 40 0 CDABHN O=C(N1CCCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107988 185099690 /nfs/dbraw/zinc/09/96/90/185099690.db2.gz UTNANMFOEKQZJM-LSDHHAIUSA-N 0 3 293.411 1.245 40 0 CDABHN CN1Cc2cccn2C[C@@H](CC(=O)NCc2ccco2)C1 ZINC000585099114 342212258 /nfs/dbraw/zinc/21/22/58/342212258.db2.gz MTVAOTRLWPGJOW-ZDUSSCGKSA-N 0 3 287.363 1.849 40 0 CDABHN COc1ccc2c3c1O[C@@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314 ZINC000002034102 347413404 /nfs/dbraw/zinc/41/34/04/347413404.db2.gz LLPOLZWFYMWNKH-MIFHMHLRSA-N 0 3 299.370 1.933 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079409700 356992442 /nfs/dbraw/zinc/99/24/42/356992442.db2.gz HCRBRIGZWZATCV-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN CC(=O)N(C(C)C)C1CCC(NC(=O)[C@@H](N)C(C)C)CC1 ZINC000079418062 356995212 /nfs/dbraw/zinc/99/52/12/356995212.db2.gz HEENRMXCSKRFHD-NRXISQOPSA-N 0 3 297.443 1.654 40 0 CDABHN C[C@H](N)C(=O)N(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000079418814 356995359 /nfs/dbraw/zinc/99/53/59/356995359.db2.gz ZJCHQHDIKKEDEN-CMPLNLGQSA-N 0 3 276.336 1.165 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1ccco1)C(C)C ZINC000079436304 356996245 /nfs/dbraw/zinc/99/62/45/356996245.db2.gz AURZJCKUNFUZJZ-ZDUSSCGKSA-N 0 3 266.341 1.683 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccccc2F)C[C@H](C)O1 ZINC000019271905 357229761 /nfs/dbraw/zinc/22/97/61/357229761.db2.gz BINUIMUTYHIZNB-WDMOLILDSA-N 0 3 252.333 1.935 40 0 CDABHN COc1ccc(NC(=S)NC2CCN(C)CC2)cn1 ZINC000063142762 357506605 /nfs/dbraw/zinc/50/66/05/357506605.db2.gz AOULISGTNZRXFU-UHFFFAOYSA-N 0 3 280.397 1.471 40 0 CDABHN CN1CCC(c2nccnc2N2CCC[C@@H](CO)C2)CC1 ZINC000072365224 357830777 /nfs/dbraw/zinc/83/07/77/357830777.db2.gz FNKSXYBQLVXWOL-CYBMUJFWSA-N 0 3 290.411 1.495 40 0 CDABHN CN(C)CCNCC(=O)N1CCCc2ccccc21 ZINC000022586124 358051118 /nfs/dbraw/zinc/05/11/18/358051118.db2.gz JQJOBZXGICHECK-UHFFFAOYSA-N 0 3 261.369 1.117 40 0 CDABHN CN(C)C(=O)CN1CCC2(CN(Cc3ccccc3)C2)C1 ZINC000096202653 358719285 /nfs/dbraw/zinc/71/92/85/358719285.db2.gz HTXQUPBNRORGLR-UHFFFAOYSA-N 0 3 287.407 1.283 40 0 CDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccoc1)CC2 ZINC000096207626 358720030 /nfs/dbraw/zinc/72/00/30/358720030.db2.gz HGEHFHMKKHNKNB-ZDUSSCGKSA-N 0 3 278.352 1.254 40 0 CDABHN OCCN1CCC2(CC1)COCCN(c1nccs1)C2 ZINC000096240068 358724644 /nfs/dbraw/zinc/72/46/44/358724644.db2.gz AQUOQPYNYYXEOV-UHFFFAOYSA-N 0 3 297.424 1.054 40 0 CDABHN O=C1C[C@H](c2ccccc2)C2(CCN(CCO)CC2)N1 ZINC000096261184 358729467 /nfs/dbraw/zinc/72/94/67/358729467.db2.gz ACWBIKMWEBFJLG-CQSZACIVSA-N 0 3 274.364 1.117 40 0 CDABHN O=C(c1ccccc1Cl)N1CCC2(CC1)CNCCO2 ZINC000096268848 358730333 /nfs/dbraw/zinc/73/03/33/358730333.db2.gz WAUBNRTUJDWCGN-UHFFFAOYSA-N 0 3 294.782 1.935 40 0 CDABHN CCO[C@H]1C[C@H](NC(=O)C(C)(C)N)C12CCCCC2 ZINC000236959015 358988268 /nfs/dbraw/zinc/98/82/68/358988268.db2.gz WKSIZXKTGFOYQY-RYUDHWBXSA-N 0 3 268.401 1.968 40 0 CDABHN NC[C@@H]1CCN(c2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222545599 359353991 /nfs/dbraw/zinc/35/39/91/359353991.db2.gz PRQOOQSBEVISAS-JTQLQIEISA-N 0 3 294.298 1.573 40 0 CDABHN S=c1[nH]cnc2c1ncn2CCN1CCCCC1 ZINC000033281831 359701171 /nfs/dbraw/zinc/70/11/71/359701171.db2.gz POGGJMGRSAAELH-UHFFFAOYSA-N 0 3 263.370 1.601 40 0 CDABHN CNCC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000225475011 374481740 /nfs/dbraw/zinc/48/17/40/374481740.db2.gz DAYRIRXHSGGMRA-SNVBAGLBSA-N 0 3 283.322 1.127 40 0 CDABHN CCN(CC)CCNCc1cn(C)nc1C(F)(F)F ZINC000256053180 190004581 /nfs/dbraw/zinc/00/45/81/190004581.db2.gz QJVWFQUONYUFJZ-UHFFFAOYSA-N 0 3 278.322 1.870 40 0 CDABHN CN1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257213790 190013563 /nfs/dbraw/zinc/01/35/63/190013563.db2.gz CJBPDSMHBNYUCE-LLVKDONJSA-N 0 3 270.340 1.819 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@H](c2cccc(N)n2)C1 ZINC000257222252 190014544 /nfs/dbraw/zinc/01/45/44/190014544.db2.gz DSONCHSWTYEVFO-ZDUSSCGKSA-N 0 3 273.340 1.269 40 0 CDABHN CC(=O)N1CCNC[C@H](Cc2cncc3ccccc32)C1 ZINC000257291938 190027478 /nfs/dbraw/zinc/02/74/78/190027478.db2.gz QJICTGKSCOGGFJ-AWEZNQCLSA-N 0 3 283.375 1.845 40 0 CDABHN CCN1CCN(C[C@H](O)COC2CCC(C)CC2)CC1 ZINC000041690165 379448754 /nfs/dbraw/zinc/44/87/54/379448754.db2.gz SOMFTOZWGVTKOY-PCKAHOCUSA-N 0 3 284.444 1.580 40 0 CDABHN Cc1noc(CCNCc2cc3ccccc3n(C)c2=O)n1 ZINC000072206571 390615292 /nfs/dbraw/zinc/61/52/92/390615292.db2.gz ZXOQDHGLAXTGBO-UHFFFAOYSA-N 0 3 298.346 1.562 40 0 CDABHN O=C(CCN(Cc1ccccc1)C1CC1)N1CCOCC1 ZINC000051403055 391571629 /nfs/dbraw/zinc/57/16/29/391571629.db2.gz VQLOBFOPCCWZLO-UHFFFAOYSA-N 0 3 288.391 1.900 40 0 CDABHN CCCCc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000006652834 170222251 /nfs/dbraw/zinc/22/22/51/170222251.db2.gz IYFMAJVVVAIYOF-UHFFFAOYSA-N 0 3 291.395 1.646 40 0 CDABHN CCOc1cc(CNCCO)cc(Cl)c1OC ZINC000008253670 170327477 /nfs/dbraw/zinc/32/74/77/170327477.db2.gz HEAUYAJYMQWBLL-UHFFFAOYSA-N 0 3 259.733 1.829 40 0 CDABHN COc1ccc(S[C@@H](C)C(=O)NCCN(C)C)cc1 ZINC000020462049 171209543 /nfs/dbraw/zinc/20/95/43/171209543.db2.gz IBGYECPSCBFANS-NSHDSACASA-N 0 3 282.409 1.854 40 0 CDABHN C[C@@]1(C(F)F)CN(C(=O)C2(N)CC3(CCC3)C2)CCO1 ZINC000663003581 413801111 /nfs/dbraw/zinc/80/11/11/413801111.db2.gz ZLAPDZKTVGZULR-LBPRGKRZSA-N 0 3 288.338 1.531 40 0 CDABHN COCCN1CCC(NCc2nccn2C(C)C)CC1 ZINC000657331098 414180390 /nfs/dbraw/zinc/18/03/90/414180390.db2.gz NUHTZWFHBAYRSE-UHFFFAOYSA-N 0 3 280.416 1.664 40 0 CDABHN COC[C@H]1CNCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000072343698 176372067 /nfs/dbraw/zinc/37/20/67/176372067.db2.gz JSBXLQALPQEFEM-ZDUSSCGKSA-N 0 3 296.798 1.577 40 0 CDABHN Cc1nccn1C[C@@H]1CCCN(Cc2nccn2C)C1 ZINC000072352905 176374285 /nfs/dbraw/zinc/37/42/85/176374285.db2.gz KCUDCINWOHUYFO-CQSZACIVSA-N 0 3 273.384 1.837 40 0 CDABHN Cn1cc(CN2CCC[C@@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364268 176379087 /nfs/dbraw/zinc/37/90/87/176379087.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 0 3 289.383 1.058 40 0 CDABHN Cn1cc(CN2CCC[C@@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364268 176379088 /nfs/dbraw/zinc/37/90/88/176379088.db2.gz DKYXCLSYJFZDBL-CYBMUJFWSA-N 0 3 289.383 1.058 40 0 CDABHN Cc1cc(C)nc(NCCNCc2cccnc2)n1 ZINC000062717851 262303997 /nfs/dbraw/zinc/30/39/97/262303997.db2.gz QCJAZMALXDSUGC-UHFFFAOYSA-N 0 3 257.341 1.690 40 0 CDABHN O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCN1CCCC1 ZINC000005832499 275028636 /nfs/dbraw/zinc/02/86/36/275028636.db2.gz FDAIKWTXWRINOB-HNNXBMFYSA-N 0 3 299.374 1.471 40 0 CDABHN COc1ccc(OC)c(NC(=O)C2CCN(C)CC2)c1 ZINC000074713372 567903639 /nfs/dbraw/zinc/90/36/39/567903639.db2.gz WWTXEPLXRRIGFF-UHFFFAOYSA-N 0 3 278.352 1.984 40 0 CDABHN Cc1ccccc1CSCC(=O)NCCN(C)C ZINC000010111500 230370734 /nfs/dbraw/zinc/37/07/34/230370734.db2.gz ARWCCSUJMOCBAT-UHFFFAOYSA-N 0 3 266.410 1.906 40 0 CDABHN C[C@H](CNC(=O)c1ccnc(C2CC2)n1)N(C)C1CC1 ZINC000069701840 342008362 /nfs/dbraw/zinc/00/83/62/342008362.db2.gz JJGRTHAJTSSIIL-SNVBAGLBSA-N 0 3 274.368 1.567 40 0 CDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(CC1CCC1)C2 ZINC000096038842 185069516 /nfs/dbraw/zinc/06/95/16/185069516.db2.gz IZGIMCTXTYWTSZ-GDBMZVCRSA-N 0 3 294.395 1.431 40 0 CDABHN CN1CCOCC12CCN(Cc1ccoc1)CC2 ZINC000096048900 185073415 /nfs/dbraw/zinc/07/34/15/185073415.db2.gz NTTNRFSHAVTYMJ-UHFFFAOYSA-N 0 3 250.342 1.576 40 0 CDABHN CN(C)C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053841 185076340 /nfs/dbraw/zinc/07/63/40/185076340.db2.gz XEBIEWPGBGCTRB-CHWSQXEVSA-N 0 3 274.368 1.127 40 0 CDABHN c1cncc(CO[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055050 185076418 /nfs/dbraw/zinc/07/64/18/185076418.db2.gz YRLXUVSHVKUPFH-IRXDYDNUSA-N 0 3 287.407 1.767 40 0 CDABHN C[C@@H](Cc1ccccc1F)NC[C@H]1CCCS1(=O)=O ZINC000157782906 188338185 /nfs/dbraw/zinc/33/81/85/188338185.db2.gz KGBQMIWFESCUES-WCQYABFASA-N 0 3 285.384 1.924 40 0 CDABHN CCNCCN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000016161633 356433256 /nfs/dbraw/zinc/43/32/56/356433256.db2.gz RGRQXHKTKPYWCG-UHFFFAOYSA-N 0 3 270.398 1.625 40 0 CDABHN CN1C[C@@H]2CN(C(=O)C3CCCCC3)CCN2C(C)(C)C1 ZINC000253401092 283206869 /nfs/dbraw/zinc/20/68/69/283206869.db2.gz MLLMZRWWMJPOQL-OAHLLOKOSA-N 0 3 293.455 1.804 40 0 biogenic,in-vitro CDABHN O=C(NC[C@H]1CCCN(CCO)C1)OCc1ccccc1 ZINC000079410910 356993170 /nfs/dbraw/zinc/99/31/70/356993170.db2.gz ONWVBSRIXBQHIJ-OAHLLOKOSA-N 0 3 292.379 1.617 40 0 CDABHN NCC(=O)N(Cc1nccc2ccccc21)C1CC1 ZINC000079422192 356996500 /nfs/dbraw/zinc/99/65/00/356996500.db2.gz OYFMPGKRUGNDAP-UHFFFAOYSA-N 0 3 255.321 1.685 40 0 CDABHN Cc1ccc(C)c(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000061523662 357456715 /nfs/dbraw/zinc/45/67/15/357456715.db2.gz VVDVOGMBJGMSDJ-UHFFFAOYSA-N 0 3 289.423 1.671 40 0 CDABHN Cc1ccc(C(=O)NCCCN2CCN(C)CC2)c(C)c1 ZINC000061523863 358554401 /nfs/dbraw/zinc/55/44/01/358554401.db2.gz HCQUODVGUSZRGO-UHFFFAOYSA-N 0 3 289.423 1.671 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178051 358643955 /nfs/dbraw/zinc/64/39/55/358643955.db2.gz OQXDVNIZXIIZRP-SDDRHHMPSA-N 0 3 299.415 1.628 40 0 CDABHN Cc1cccc(CN2CCc3ncc(CN(C)C)n3CC2)n1 ZINC000096196787 358716412 /nfs/dbraw/zinc/71/64/12/358716412.db2.gz VJSGTKDNVXGSLH-UHFFFAOYSA-N 0 3 299.422 1.706 40 0 CDABHN CNC(=O)c1cc2c(nc1NCC1CC1)CCN(C)CC2 ZINC000096260556 358729456 /nfs/dbraw/zinc/72/94/56/358729456.db2.gz DWKNBDXMEYJLDV-UHFFFAOYSA-N 0 3 288.395 1.294 40 0 CDABHN COCCNCc1cc2cc(OC)c(OC)cc2[nH]c1=O ZINC000013998460 366506078 /nfs/dbraw/zinc/50/60/78/366506078.db2.gz UFUVAQBSTOVTDN-UHFFFAOYSA-N 0 3 292.335 1.281 40 0 CDABHN Cc1ccc(S(=O)(=O)n2ccc(CN)c2)cc1 ZINC000034218861 359391135 /nfs/dbraw/zinc/39/11/35/359391135.db2.gz FRJLFINERYZOGL-UHFFFAOYSA-N 0 3 250.323 1.492 40 0 CDABHN COC[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001262 360654267 /nfs/dbraw/zinc/65/42/67/360654267.db2.gz ZYNPKUQUMYUHDL-NEPJUHHUSA-N 0 3 289.784 1.478 40 0 CDABHN COCCN(C)c1ccc(CN2CC[C@H](O)[C@H](C)C2)cn1 ZINC000225396174 374284789 /nfs/dbraw/zinc/28/47/89/374284789.db2.gz JUNGOBWGANKIAL-HIFRSBDPSA-N 0 3 293.411 1.367 40 0 CDABHN C[C@H](Cc1ccccc1)CN1CCCN(C(N)=O)CC1 ZINC000132265431 375430249 /nfs/dbraw/zinc/43/02/49/375430249.db2.gz KGMFQPSWOHKWCD-CQSZACIVSA-N 0 3 275.396 1.952 40 0 CDABHN Cn1cc(CN2CCC[C@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281416 190026415 /nfs/dbraw/zinc/02/64/15/190026415.db2.gz OPCGSYBIZKBSAL-GFCCVEGCSA-N 0 3 259.357 1.598 40 0 CDABHN CN1CCNC[C@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257320929 190033542 /nfs/dbraw/zinc/03/35/42/190033542.db2.gz VZIVEQIACUVVLE-HNNXBMFYSA-N 0 3 288.395 1.129 40 0 CDABHN COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257336204 190036350 /nfs/dbraw/zinc/03/63/50/190036350.db2.gz YNNOTEPRMBEPCW-ITGUQSILSA-N 0 3 277.364 1.907 40 0 CDABHN COCCNCCNC(=O)c1cc(C)ccc1C ZINC000212805687 377818553 /nfs/dbraw/zinc/81/85/53/377818553.db2.gz KLWVDQXHBYUQTH-UHFFFAOYSA-N 0 3 250.342 1.269 40 0 CDABHN NC[C@@H](c1cncc(Br)c1)N1CCCC1 ZINC000096511145 390530833 /nfs/dbraw/zinc/53/08/33/390530833.db2.gz JLZZPQIWBPOIKR-NSHDSACASA-N 0 3 270.174 1.940 40 0 CDABHN COC(=O)c1cccc(NC(=S)NCCN(C)C)c1C ZINC000044663062 175226419 /nfs/dbraw/zinc/22/64/19/175226419.db2.gz VNMMPBJLTRSTOW-UHFFFAOYSA-N 0 3 295.408 1.630 40 0 CDABHN COCC(=O)NCCCN1CCc2ccccc2C1 ZINC000046239030 175395267 /nfs/dbraw/zinc/39/52/67/175395267.db2.gz DWEBQAUMOVANQB-UHFFFAOYSA-N 0 3 262.353 1.197 40 0 CDABHN Cc1ccnc(NC(=O)c2cncc([C@@H]3CCCN3)n2)c1 ZINC000072365647 176381364 /nfs/dbraw/zinc/38/13/64/176381364.db2.gz FCGXSWUKYCKPEZ-NSHDSACASA-N 0 3 283.335 1.857 40 0 CDABHN Cn1ccnc1[C@@]1(O)CCCN(Cc2ccncc2)CC1 ZINC000072369580 176384309 /nfs/dbraw/zinc/38/43/09/176384309.db2.gz RMIDSUKFMJRSGB-MRXNPFEDSA-N 0 3 286.379 1.689 40 0 CDABHN CCSc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717331 262299279 /nfs/dbraw/zinc/29/92/79/262299279.db2.gz XOIOUELJDNLIIB-UHFFFAOYSA-N 0 3 294.424 1.691 40 0 CDABHN CN(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409081 289738000 /nfs/dbraw/zinc/73/80/00/289738000.db2.gz BGJVREPUQRAPQJ-LLVKDONJSA-N 0 3 285.388 1.051 40 0 CDABHN COc1ccc(CNC[C@@H]2OCCc3cn(C)nc32)cc1 ZINC000096044268 185071504 /nfs/dbraw/zinc/07/15/04/185071504.db2.gz OIDOZJKGLHEMMS-HNNXBMFYSA-N 0 3 287.363 1.832 40 0 CDABHN Cc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)o1 ZINC000096061114 185082373 /nfs/dbraw/zinc/08/23/73/185082373.db2.gz AHMBGTXDXFAAPG-GFCCVEGCSA-N 0 3 276.340 1.424 40 0 CDABHN C[C@@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585103279 342212753 /nfs/dbraw/zinc/21/27/53/342212753.db2.gz ARAHLTJTEMZTKF-WMLDXEAASA-N 0 3 288.391 1.928 40 0 CDABHN Cc1ccc(C[N@H+]2CC[C@H](N(C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214428 186163633 /nfs/dbraw/zinc/16/36/33/186163633.db2.gz HQRWHMJJEVALCL-GJZGRUSLSA-N 0 3 276.380 1.974 40 0 CDABHN Cc1ccc(C[N@@H+]2CC[C@H](N(C)C)C[C@H]2C(=O)[O-])cc1 ZINC000107214428 186163634 /nfs/dbraw/zinc/16/36/34/186163634.db2.gz HQRWHMJJEVALCL-GJZGRUSLSA-N 0 3 276.380 1.974 40 0 CDABHN CCN(CC)CCOC(=O)c1ccc(N)cc1O ZINC000001724537 355949836 /nfs/dbraw/zinc/94/98/36/355949836.db2.gz GHSCYMOJHVOGDJ-UHFFFAOYSA-N 0 3 252.314 1.473 40 0 in-man CDABHN O=C(CN1CCNCC1)Nc1cccc(Br)c1 ZINC000019270548 356478577 /nfs/dbraw/zinc/47/85/77/356478577.db2.gz KEUAKXIVUZXWDZ-UHFFFAOYSA-N 0 3 298.184 1.293 40 0 CDABHN CC(C)N(C[C@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404243 356989134 /nfs/dbraw/zinc/98/91/34/356989134.db2.gz DTFUMUUQHRXSHW-MRXNPFEDSA-N 0 3 289.423 1.847 40 0 CDABHN C[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000079409488 356992013 /nfs/dbraw/zinc/99/20/13/356992013.db2.gz OFDLHNSVBBGJRF-WDEREUQCSA-N 0 3 285.388 1.239 40 0 CDABHN CC(C)[C@H](N)C(=O)NCc1nccc2ccccc21 ZINC000079422210 356996114 /nfs/dbraw/zinc/99/61/14/356996114.db2.gz NUFRJTMOOGXVFJ-AWEZNQCLSA-N 0 3 257.337 1.834 40 0 CDABHN NCC(=O)N(Cc1ccnc(Br)c1)C1CC1 ZINC000079421570 356996308 /nfs/dbraw/zinc/99/63/08/356996308.db2.gz YZHGSPJKFMVICB-UHFFFAOYSA-N 0 3 284.157 1.294 40 0 CDABHN CC(C)[C@H](N)C(=O)N([C@H](C)c1cnccn1)C1CC1 ZINC000079435841 356996331 /nfs/dbraw/zinc/99/63/31/356996331.db2.gz GBZLLEWBFWMHGJ-MFKMUULPSA-N 0 3 262.357 1.512 40 0 CDABHN CN1CCC(NC(=O)c2cc(F)cc(F)c2)CC1 ZINC000048608960 357192834 /nfs/dbraw/zinc/19/28/34/357192834.db2.gz JIXARPZBVIJTTO-UHFFFAOYSA-N 0 3 254.280 1.789 40 0 CDABHN CC(C)N1CCC[C@]2(CCCN2S(C)(=O)=O)C1 ZINC000096214928 358721509 /nfs/dbraw/zinc/72/15/09/358721509.db2.gz YTQOWJYDRYCGST-LBPRGKRZSA-N 0 3 260.403 1.285 40 0 CDABHN C(c1noc2c1CN(C[C@@H]1CCOC1)CC2)N1CCCC1 ZINC000096259729 358729707 /nfs/dbraw/zinc/72/97/07/358729707.db2.gz VEHWFCBHTZNXOD-ZDUSSCGKSA-N 0 3 291.395 1.665 40 0 CDABHN CN(C)CCNC(=O)Cc1ccc(Cl)cc1F ZINC000169831049 365051389 /nfs/dbraw/zinc/05/13/89/365051389.db2.gz BVEBKNHWRXFTGL-UHFFFAOYSA-N 0 3 258.724 1.699 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H]1O ZINC000205672142 373616263 /nfs/dbraw/zinc/61/62/63/373616263.db2.gz DQURTGQTPHBQKI-VXGBXAGGSA-N 0 3 268.744 1.087 40 0 CDABHN COC1CCN(CCNC(=O)Cc2ccc(C)cc2)CC1 ZINC000079670408 374833542 /nfs/dbraw/zinc/83/35/42/374833542.db2.gz RAPMIHDFPOINDT-UHFFFAOYSA-N 0 3 290.407 1.765 40 0 CDABHN Cc1ccc(OCC[C@@H](O)CN2CCN(C)CC2)cc1C ZINC000028295310 375239703 /nfs/dbraw/zinc/23/97/03/375239703.db2.gz WBYVTDDNZJEJPW-MRXNPFEDSA-N 0 3 292.423 1.681 40 0 CDABHN Cn1nc(C(F)(F)F)cc1CNC[C@H]1CCCO1 ZINC000256054865 190005592 /nfs/dbraw/zinc/00/55/92/190005592.db2.gz YCVNVVRNZCYPQX-SECBINFHSA-N 0 3 263.263 1.708 40 0 CDABHN O=C(c1ccccc1Cl)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257232015 190017165 /nfs/dbraw/zinc/01/71/65/190017165.db2.gz GIZWZTCZYCKWGB-ZIAGYGMSSA-N 0 3 294.782 1.621 40 0 CDABHN COCCN1CCC[C@@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246733 190019430 /nfs/dbraw/zinc/01/94/30/190019430.db2.gz IVOUOBQUWHWJOZ-GFCCVEGCSA-N 0 3 287.367 1.693 40 0 CDABHN COc1ccccc1[C@H]1CNCCN1Cc1c[nH]cn1 ZINC000257250779 190020399 /nfs/dbraw/zinc/02/03/99/190020399.db2.gz JNYXUSMPOBVMTE-CQSZACIVSA-N 0 3 272.352 1.565 40 0 CDABHN CCOC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217990392 375770991 /nfs/dbraw/zinc/77/09/91/375770991.db2.gz DAQSKKYMPSSIME-ZIAGYGMSSA-N 0 3 283.393 1.523 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000257290939 190028075 /nfs/dbraw/zinc/02/80/75/190028075.db2.gz QEZKOYZANUUZHY-AWEZNQCLSA-N 0 3 284.306 1.103 40 0 CDABHN c1cc(COC[C@H]2CCC[C@]23CNCCO3)ccn1 ZINC000096160028 390947547 /nfs/dbraw/zinc/94/75/47/390947547.db2.gz YEPHJZWQXAVDIR-CABCVRRESA-N 0 3 262.353 1.757 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022174875 171369897 /nfs/dbraw/zinc/36/98/97/171369897.db2.gz SDSLHHOEKIAOFX-HUBLWGQQSA-N 0 3 264.369 1.804 40 0 CDABHN COc1ccccc1CN(C)C(=O)[C@@H](N)C(C)C ZINC000038059152 174069314 /nfs/dbraw/zinc/06/93/14/174069314.db2.gz VHRJGSTYFKDSDT-ZDUSSCGKSA-N 0 3 250.342 1.637 40 0 CDABHN Cc1ccc(CN(C)C[C@]2(O)CCCN(C)C2)o1 ZINC000046087365 175392027 /nfs/dbraw/zinc/39/20/27/175392027.db2.gz CXHZLDMQJPLJRK-AWEZNQCLSA-N 0 3 252.358 1.477 40 0 CDABHN Brc1ccc(C[C@H]2CNCCO2)cc1 ZINC000071577317 176205455 /nfs/dbraw/zinc/20/54/55/176205455.db2.gz WHCQUFGJLIZABU-NSHDSACASA-N 0 3 256.143 1.980 40 0 CDABHN COC[C@@H]1CNCCN(C(=O)Cc2ccc(Cl)cc2)C1 ZINC000072343697 176372146 /nfs/dbraw/zinc/37/21/46/176372146.db2.gz JSBXLQALPQEFEM-CYBMUJFWSA-N 0 3 296.798 1.577 40 0 CDABHN COCCN1CCC(c2cccc(CCC(N)=O)n2)CC1 ZINC000072360457 176376929 /nfs/dbraw/zinc/37/69/29/176376929.db2.gz PPARGDIMRSMPEN-UHFFFAOYSA-N 0 3 291.395 1.325 40 0 CDABHN CN(C)CCN(CCN(C)C)C(=O)Nc1cccc(F)c1 ZINC000078489906 177346921 /nfs/dbraw/zinc/34/69/21/177346921.db2.gz UVGIJVUWMVUHNJ-UHFFFAOYSA-N 0 3 296.390 1.783 40 0 CDABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cnco1 ZINC000257265558 277070871 /nfs/dbraw/zinc/07/08/71/277070871.db2.gz LZEBZQQWJWOOGY-JSGCOSHPSA-N 0 3 263.341 1.764 40 0 CDABHN CN1CCC[C@H]1c1ccc(N2CCC(C(N)=O)CC2)cn1 ZINC000257257883 277082605 /nfs/dbraw/zinc/08/26/05/277082605.db2.gz KRMBFJPSEJPCMT-HNNXBMFYSA-N 0 3 288.395 1.550 40 0 CDABHN COc1ccc(OC)c2c(N3CCNCC3)ccnc12 ZINC000077255283 277920533 /nfs/dbraw/zinc/92/05/33/277920533.db2.gz NQBMNIADRJOHSP-UHFFFAOYSA-N 0 3 273.336 1.662 40 0 CDABHN CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390867 279219031 /nfs/dbraw/zinc/21/90/31/279219031.db2.gz KBQMPBJMSADWPO-LBPRGKRZSA-N 0 3 299.415 1.441 40 0 CDABHN Cc1cc(C)cc(CN2CC[C@H](CN)S2(=O)=O)c1 ZINC000260784078 328069182 /nfs/dbraw/zinc/06/91/82/328069182.db2.gz USXZDEDICGKISS-CYBMUJFWSA-N 0 3 268.382 1.166 40 0 CDABHN CCC[C@H]1CN(C(=O)[C@@H](N)CCSC)CCO1 ZINC000158056836 528396635 /nfs/dbraw/zinc/39/66/35/528396635.db2.gz JIMNUTUPCVBHIQ-QWRGUYRKSA-N 0 3 260.403 1.094 40 0 CDABHN CC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21 ZINC000096080552 185091398 /nfs/dbraw/zinc/09/13/98/185091398.db2.gz VGKQIWWCSFBJTP-KGLIPLIRSA-N 0 3 259.353 1.494 40 0 CDABHN COCCN1CCc2ncc(CN3CCCCC3)n2CC1 ZINC000096100553 185097696 /nfs/dbraw/zinc/09/76/96/185097696.db2.gz PGFMOSGLPNPCBI-UHFFFAOYSA-N 0 3 292.427 1.374 40 0 CDABHN c1coc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)c1 ZINC000096108272 185099728 /nfs/dbraw/zinc/09/97/28/185099728.db2.gz IHMDHSMIQXDVSX-ZBFHGGJFSA-N 0 3 292.379 1.060 40 0 CDABHN CO[C@H]1CN(Cc2ncccc2C)C[C@H]1CC(=O)N(C)C ZINC000585276546 342256378 /nfs/dbraw/zinc/25/63/78/342256378.db2.gz PPJNLIIJWJLLDM-HIFRSBDPSA-N 0 3 291.395 1.315 40 0 CDABHN CCn1cc(CN2CCC[C@]2(COC)CC(=O)NC)cn1 ZINC000585279539 342256947 /nfs/dbraw/zinc/25/69/47/342256947.db2.gz ZWSGMIXHWPRIFW-OAHLLOKOSA-N 0 3 294.399 1.020 40 0 CDABHN CC(C)C[C@H](C(=O)[O-])N1CCC([NH2+]C(C)C)CC1 ZINC000629487262 362101413 /nfs/dbraw/zinc/10/14/13/362101413.db2.gz AIDKOOWAPGDJJH-CYBMUJFWSA-N 0 3 256.390 1.948 40 0 CDABHN Cc1nnn2c1COC[C@H](CNCc1ccco1)C2 ZINC000096061111 282369907 /nfs/dbraw/zinc/36/99/07/282369907.db2.gz RPSPYSKZTUQFGZ-LLVKDONJSA-N 0 3 262.313 1.116 40 0 CDABHN C[C@@H](CCc1ccc(O)cc1)N[C@@H]1CCN(C)C1=O ZINC000136449151 363080304 /nfs/dbraw/zinc/08/03/04/363080304.db2.gz NNIKQRNRXYDFIM-SMDDNHRTSA-N 0 3 262.353 1.534 40 0 CDABHN CN(CCc1ccccc1)C(=O)[C@@H]1CNCc2cn[nH]c21 ZINC000019701813 356496030 /nfs/dbraw/zinc/49/60/30/356496030.db2.gz STWMARMCEVRUAT-CQSZACIVSA-N 0 3 284.363 1.298 40 0 CDABHN CC(C)N(Cc1ccc(Cl)nc1)C(=O)[C@H](C)N ZINC000079421612 356996328 /nfs/dbraw/zinc/99/63/28/356996328.db2.gz GSABKAGUXFQKTC-VIFPVBQESA-N 0 3 255.749 1.819 40 0 CDABHN CC(C)(C)OC(=O)[C@@H](O)[C@H](N)Cc1ccccc1 ZINC000002569683 357153359 /nfs/dbraw/zinc/15/33/59/357153359.db2.gz ITPFEPDHSLWUED-NEPJUHHUSA-N 0 3 251.326 1.259 40 0 CDABHN CNc1nccnc1[C@H]1CCCN1C1CCOCC1 ZINC000072364349 357830631 /nfs/dbraw/zinc/83/06/31/357830631.db2.gz TWNURECLJDDFOV-GFCCVEGCSA-N 0 3 262.357 1.834 40 0 CDABHN CCN(CC)CCNCC(=O)N1CCCc2ccccc21 ZINC000022586234 358051392 /nfs/dbraw/zinc/05/13/92/358051392.db2.gz YJANTIPTDHHYNX-UHFFFAOYSA-N 0 3 289.423 1.897 40 0 CDABHN Cc1cc(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc(C)n1 ZINC000096209927 358721201 /nfs/dbraw/zinc/72/12/01/358721201.db2.gz CFLOXESYCJBFIA-LSDHHAIUSA-N 0 3 289.379 1.101 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccccc2F)C[C@@H](C)O1 ZINC000019271907 358895147 /nfs/dbraw/zinc/89/51/47/358895147.db2.gz BINUIMUTYHIZNB-JTNHKYCSSA-N 0 3 252.333 1.935 40 0 CDABHN C[C@@H](N)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000157427840 296013897 /nfs/dbraw/zinc/01/38/97/296013897.db2.gz JJOWOVLCKLXQBM-PWSUYJOCSA-N 0 3 252.314 1.134 40 0 CDABHN OC[C@H](NCCO[C@H]1CCCCO1)c1ccsc1 ZINC000225532229 189756541 /nfs/dbraw/zinc/75/65/41/189756541.db2.gz PMJUCVRJFXGTKZ-STQMWFEESA-N 0 3 271.382 1.914 40 0 CDABHN Cc1cc(CN(C)C[C@@H](C)O)ccc1-n1cncn1 ZINC000130685343 369602338 /nfs/dbraw/zinc/60/23/38/369602338.db2.gz ZZQTYDFDSXFAJE-GFCCVEGCSA-N 0 3 260.341 1.388 40 0 CDABHN CCNC(=O)c1cnc(C[C@H]2CCCN(C)C2)cn1 ZINC000257241129 190018350 /nfs/dbraw/zinc/01/83/50/190018350.db2.gz HWRQIIXXWVPGFA-LLVKDONJSA-N 0 3 262.357 1.111 40 0 CDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccsc2)C1 ZINC000257275081 190024569 /nfs/dbraw/zinc/02/45/69/190024569.db2.gz NNVKGWFZLBKZTP-ZDUSSCGKSA-N 0 3 281.425 1.200 40 0 CDABHN CN1CCC[C@H](c2ccnc(C(=O)NC3CC3)c2)C1 ZINC000257315183 190032589 /nfs/dbraw/zinc/03/25/89/190032589.db2.gz VAGVCNPAKVRPBT-LBPRGKRZSA-N 0 3 259.353 1.783 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC000063527049 378303286 /nfs/dbraw/zinc/30/32/86/378303286.db2.gz YVHWRJATGHWELC-CYBMUJFWSA-N 0 3 289.379 1.407 40 0 CDABHN CCN(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(C)=O ZINC000079417966 285022428 /nfs/dbraw/zinc/02/24/28/285022428.db2.gz XPNHQZRZNLMVED-KBPBESRZSA-N 0 3 283.416 1.077 40 0 CDABHN CN1CCN(c2ccc([C@@H]3CCCCN3C)cn2)CC1 ZINC000072216536 390621302 /nfs/dbraw/zinc/62/13/02/390621302.db2.gz XRVZVLATRZIVIU-HNNXBMFYSA-N 0 3 274.412 1.990 40 0 CDABHN Cc1ocnc1CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C ZINC000332813321 390978586 /nfs/dbraw/zinc/97/85/86/390978586.db2.gz QAOUKPKTNQHFDU-GWCFXTLKSA-N 0 3 280.372 1.465 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000257329548 391649495 /nfs/dbraw/zinc/64/94/95/391649495.db2.gz XKKGFXGMBLNFLO-ZDUSSCGKSA-N 0 3 290.354 1.337 40 0 CDABHN COc1cc(-c2n[nH]c3c2CNCC3)cc(OC)c1OC ZINC000020221841 171084317 /nfs/dbraw/zinc/08/43/17/171084317.db2.gz KDJOHKLPAUFZMI-UHFFFAOYSA-N 0 3 289.335 1.748 40 0 CDABHN COCCN1CCC(CNC(=O)c2cc(C)oc2C)CC1 ZINC000038582800 174148757 /nfs/dbraw/zinc/14/87/57/174148757.db2.gz JTYOVFCTOXEUKZ-UHFFFAOYSA-N 0 3 294.395 1.985 40 0 CDABHN OCCN1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360934 176376663 /nfs/dbraw/zinc/37/66/63/176376663.db2.gz ZEZYWSFBYKUCPO-CYBMUJFWSA-N 0 3 299.378 1.787 40 0 CDABHN Cc1c[nH]nc1[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000072385604 176390236 /nfs/dbraw/zinc/39/02/36/176390236.db2.gz NTUCZJAXXRZHRA-AWEZNQCLSA-N 0 3 290.411 1.766 40 0 CDABHN Cc1cn[nH]c1[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000072385604 176390237 /nfs/dbraw/zinc/39/02/37/176390237.db2.gz NTUCZJAXXRZHRA-AWEZNQCLSA-N 0 3 290.411 1.766 40 0 CDABHN Nc1ccc(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072387285 176392856 /nfs/dbraw/zinc/39/28/56/176392856.db2.gz YETUVDRDWSAMNR-NSHDSACASA-N 0 3 272.356 1.237 40 0 CDABHN CCN(CCO)Cc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392677 176394369 /nfs/dbraw/zinc/39/43/69/176394369.db2.gz QEFYRTXJKLOSKX-UHFFFAOYSA-N 0 3 297.362 1.606 40 0 CDABHN Cc1cc(=O)[n-]c(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000072397462 176394739 /nfs/dbraw/zinc/39/47/39/176394739.db2.gz YVKFYKPBUNCPHY-UHFFFAOYSA-N 0 3 298.390 1.791 40 0 CDABHN Cc1cc(=O)[n-]c(N2CCC[N@@H+](Cc3ccccc3)CC2)n1 ZINC000072397462 176394740 /nfs/dbraw/zinc/39/47/40/176394740.db2.gz YVKFYKPBUNCPHY-UHFFFAOYSA-N 0 3 298.390 1.791 40 0 CDABHN CC1=C[C@@H](CO)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C ZINC000030882629 278505866 /nfs/dbraw/zinc/50/58/66/278505866.db2.gz MNQRDTFDSRXTSC-JYJNAYRXSA-N 0 3 296.455 1.901 40 0 biogenic,in-vitro CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccccn2)N1 ZINC000022238411 295210636 /nfs/dbraw/zinc/21/06/36/295210636.db2.gz JNWSIIDYUSTNHV-LBPRGKRZSA-N 0 3 292.302 1.079 40 0 CDABHN COC[C@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096105750 185098649 /nfs/dbraw/zinc/09/86/49/185098649.db2.gz DNJPWPLGXJLKDM-CQSZACIVSA-N 0 3 279.384 1.438 40 0 CDABHN c1cncc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588934 362439433 /nfs/dbraw/zinc/43/94/33/362439433.db2.gz ZMTYQXUKEAIMMR-IRXDYDNUSA-N 0 3 287.407 1.767 40 0 CDABHN c1coc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588941 362439611 /nfs/dbraw/zinc/43/96/11/362439611.db2.gz ZWTCNAXGRQULHT-GOEBONIOSA-N 0 3 276.380 1.965 40 0 CDABHN COc1ccc2c(c1)CCN2C(=O)[C@@H](N)CC(C)C ZINC000154056273 188119549 /nfs/dbraw/zinc/11/95/49/188119549.db2.gz JWUYXPVWKSFZMR-ZDUSSCGKSA-N 0 3 262.353 1.958 40 0 CDABHN C[C@H](NC(=O)C1CN(C2CCCCC2)C1)c1csnn1 ZINC000334006006 363341302 /nfs/dbraw/zinc/34/13/02/363341302.db2.gz UCTLGZWWHKPGPF-JTQLQIEISA-N 0 3 294.424 1.980 40 0 CDABHN CCOC(=O)C1CN(C2CCCCC2)CCC1=O ZINC000001871876 355953690 /nfs/dbraw/zinc/95/36/90/355953690.db2.gz BWZZQXMAXGUYQV-LBPRGKRZSA-N 0 3 253.342 1.773 40 0 CDABHN Cc1c(C(=O)NCc2ccccc2CN(C)C)cnn1C ZINC000019553500 356491122 /nfs/dbraw/zinc/49/11/22/356491122.db2.gz VLPOYACIQVHPJK-UHFFFAOYSA-N 0 3 286.379 1.720 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1ccco1)C1CC1 ZINC000079436307 356996158 /nfs/dbraw/zinc/99/61/58/356996158.db2.gz UFLXJCSZWABVTC-ZDUSSCGKSA-N 0 3 264.325 1.437 40 0 CDABHN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 ZINC000082334430 358160694 /nfs/dbraw/zinc/16/06/94/358160694.db2.gz OSZMTRSQMDESOK-LLVKDONJSA-N 0 3 276.336 1.754 40 0 CDABHN Cc1noc(C)c1CN1CCc2ncnc(C)c2CC1 ZINC000096254950 358727850 /nfs/dbraw/zinc/72/78/50/358727850.db2.gz AVBOWMRYXNGZED-UHFFFAOYSA-N 0 3 272.352 1.991 40 0 CDABHN NC[C@@H]1CCN(c2ccc(Cl)cc2)S1(=O)=O ZINC000222543431 359353283 /nfs/dbraw/zinc/35/32/83/359353283.db2.gz DWDWWRYQUYPEGJ-JTQLQIEISA-N 0 3 260.746 1.207 40 0 CDABHN NC[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)S1(=O)=O ZINC000222545743 359353787 /nfs/dbraw/zinc/35/37/87/359353787.db2.gz XFYIMVXHZLTJJU-JTQLQIEISA-N 0 3 294.298 1.573 40 0 CDABHN Cc1ccc(CNCCN[C@@]2(C)CCS(=O)(=O)C2)cc1 ZINC000575420378 364819544 /nfs/dbraw/zinc/81/95/44/364819544.db2.gz GZDZXNCHLWUVQF-HNNXBMFYSA-N 0 3 296.436 1.251 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000037028195 367279051 /nfs/dbraw/zinc/27/90/51/367279051.db2.gz XKZKAPZLJSQVNX-GJZGRUSLSA-N 0 3 275.396 1.360 40 0 CDABHN OC[C@@H]1C[C@H](O)CN1CCOc1ccc(Cl)c(F)c1 ZINC000225400195 374287656 /nfs/dbraw/zinc/28/76/56/374287656.db2.gz ZGRRBGYRSBKYBW-UWVGGRQHSA-N 0 3 289.734 1.285 40 0 CDABHN NC[C@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000225471165 374479718 /nfs/dbraw/zinc/47/97/18/374479718.db2.gz DWFQXQOFLRFBTE-HNNXBMFYSA-N 0 3 299.378 1.184 40 0 CDABHN NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCCCCC1 ZINC000058135367 375668233 /nfs/dbraw/zinc/66/82/33/375668233.db2.gz KVJQCEFZPHANMF-CYBMUJFWSA-N 0 3 275.352 1.799 40 0 CDABHN NCc1cn(-c2ccccc2C(=O)N2CCCC2)cn1 ZINC000257203968 190011688 /nfs/dbraw/zinc/01/16/88/190011688.db2.gz ASKBPLHYMPERSE-UHFFFAOYSA-N 0 3 270.336 1.567 40 0 CDABHN Cc1c[nH]nc1[C@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000257203549 190011816 /nfs/dbraw/zinc/01/18/16/190011816.db2.gz AQOHHGOIULIGBR-ZDUSSCGKSA-N 0 3 276.384 1.376 40 0 CDABHN Cc1n[nH]cc1CN1CC[C@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239896 190017559 /nfs/dbraw/zinc/01/75/59/190017559.db2.gz HRHCLDOUXBYMMZ-LBPRGKRZSA-N 0 3 288.399 1.492 40 0 CDABHN Cn1nccc1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257280242 190025629 /nfs/dbraw/zinc/02/56/29/190025629.db2.gz OKBABXXUQRVQFK-NSHDSACASA-N 0 3 257.341 1.686 40 0 CDABHN CO[C@@H]1CCC[C@@H](N(C)C(=O)CN(C)C2CCCC2)[C@H]1O ZINC000257294446 190028168 /nfs/dbraw/zinc/02/81/68/190028168.db2.gz QUEUREITEVTFSX-IIAWOOMASA-N 0 3 298.427 1.248 40 0 CDABHN NC(=O)c1cncnc1[C@@H]1CCN(CCc2ccccc2)C1 ZINC000257308058 190031047 /nfs/dbraw/zinc/03/10/47/190031047.db2.gz TVGGTDHMQRBSBF-CQSZACIVSA-N 0 3 296.374 1.608 40 0 CDABHN CSc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717260 256722097 /nfs/dbraw/zinc/72/20/97/256722097.db2.gz VKOWNUVSEJNUDL-UHFFFAOYSA-N 0 3 280.397 1.301 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC000096158631 256813737 /nfs/dbraw/zinc/81/37/37/256813737.db2.gz CLFSUCYOPKKJFT-CQSZACIVSA-N 0 3 289.379 1.407 40 0 CDABHN CCOC(=O)[C@@H]1CCNC[C@H]1NC(=O)OC(C)(C)C ZINC000096510334 390530294 /nfs/dbraw/zinc/53/02/94/390530294.db2.gz ICLFKLQIHHBWQG-NXEZZACHSA-N 0 3 272.345 1.052 40 0 CDABHN CC(C)NC(=O)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096083585 390912812 /nfs/dbraw/zinc/91/28/12/390912812.db2.gz FNOMDZQEMFMHQT-FRRDWIJNSA-N 0 3 252.358 1.010 40 0 CDABHN CCOc1ccc(Br)cc1CNCCO ZINC000008324518 170331118 /nfs/dbraw/zinc/33/11/18/170331118.db2.gz DEWVBOYAERKZCJ-UHFFFAOYSA-N 0 3 274.158 1.930 40 0 CDABHN CN1CCC[C@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876676 170388523 /nfs/dbraw/zinc/38/85/23/170388523.db2.gz GLNGBFDLKUNTIE-GFCCVEGCSA-N 0 3 253.390 1.960 40 0 CDABHN CCOC(=O)C[C@H](N)c1cc(OC)c(OC)c(OC)c1 ZINC000020577665 171256442 /nfs/dbraw/zinc/25/64/42/171256442.db2.gz HAEMIHPDALVYLV-JTQLQIEISA-N 0 3 283.324 1.665 40 0 CDABHN OCCCN(CCO)CCOc1ccc(Cl)cc1 ZINC000078594370 177357155 /nfs/dbraw/zinc/35/71/55/177357155.db2.gz ZMPQCORUTZZFFN-UHFFFAOYSA-N 0 3 273.760 1.396 40 0 CDABHN COCCN1CC[C@H](NCc2cccc(F)c2)C1 ZINC000078663155 177367721 /nfs/dbraw/zinc/36/77/21/177367721.db2.gz IDDJCIGWEMIYFS-AWEZNQCLSA-N 0 3 252.333 1.636 40 0 CDABHN c1nc(N2CCCC2)ncc1CNC[C@H]1CCCO1 ZINC000062717799 262303207 /nfs/dbraw/zinc/30/32/07/262303207.db2.gz XSUSXCFBRPPSBW-CYBMUJFWSA-N 0 3 262.357 1.345 40 0 CDABHN CC(=O)N(C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079418107 277970939 /nfs/dbraw/zinc/97/09/39/277970939.db2.gz GVVGBXZQSROWQD-GJZGRUSLSA-N 0 3 295.427 1.362 40 0 CDABHN CC(C)N(C(=O)CN)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391108 279274726 /nfs/dbraw/zinc/27/47/26/279274726.db2.gz MWNHMYGBGINGBI-GFCCVEGCSA-N 0 3 299.415 1.582 40 0 CDABHN COCCN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096046791 185071807 /nfs/dbraw/zinc/07/18/07/185071807.db2.gz KRYIQRPYFAHLDA-UHFFFAOYSA-N 0 3 292.379 1.741 40 0 CDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)o3)C[C@H]21 ZINC000096058279 185078773 /nfs/dbraw/zinc/07/87/73/185078773.db2.gz KDLIBAKFLBXTBH-QLFBSQMISA-N 0 3 292.379 1.561 40 0 CDABHN O[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061606 185082671 /nfs/dbraw/zinc/08/26/71/185082671.db2.gz ATXROFQFGGILTE-JKSUJKDBSA-N 0 3 269.348 1.655 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N[C@H]3C)o1 ZINC000096062196 185082704 /nfs/dbraw/zinc/08/27/04/185082704.db2.gz QDEPBMYQQWVFOF-LBPRGKRZSA-N 0 3 278.352 1.458 40 0 CDABHN CC(C)CC(=O)N1Cc2ccnn2[C@H](CN(C)C)C1 ZINC000585095175 342211321 /nfs/dbraw/zinc/21/13/21/342211321.db2.gz IDZRLUPNMINJRZ-CYBMUJFWSA-N 0 3 264.373 1.374 40 0 CDABHN C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)N1[C@H](C)CC[C@@H]1C ZINC000164241585 361996833 /nfs/dbraw/zinc/99/68/33/361996833.db2.gz XLBGFCDFMSQSGK-TUAOUCFPSA-N 0 3 277.368 1.665 40 0 CDABHN CN(C)C/C=C/C(=O)N1CCC[C@@H]2OC(C)(C)C[C@@H]21 ZINC000585289574 342258811 /nfs/dbraw/zinc/25/88/11/342258811.db2.gz KFFHIPBEVLXVGC-KELULYIISA-N 0 3 266.385 1.663 40 0 CDABHN CCCN1CCO[C@@H]2[C@H](CNC(=O)c3ccco3)CC[C@@H]21 ZINC000247972656 362142873 /nfs/dbraw/zinc/14/28/73/362142873.db2.gz DPKWKMFMBGRXIX-KCQAQPDRSA-N 0 3 292.379 1.899 40 0 CDABHN O=C(CN1CCCCCC1)NC[C@H]1Cc2ccccc2O1 ZINC000051092894 365818507 /nfs/dbraw/zinc/81/85/07/365818507.db2.gz VWSUNIKXPKBJKQ-OAHLLOKOSA-N 0 3 288.391 1.982 40 0 CDABHN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cnn(C)c1)C2 ZINC000108526742 186220445 /nfs/dbraw/zinc/22/04/45/186220445.db2.gz MHJMIALIDAYEGY-GOEBONIOSA-N 0 3 290.411 1.501 40 0 CDABHN CN1CCC(OC(=O)[C@@H](O)C2CCCCC2)CC1 ZINC000001669008 355944938 /nfs/dbraw/zinc/94/49/38/355944938.db2.gz RXMUOBKRTGNEHY-ZDUSSCGKSA-N 0 3 255.358 1.565 40 0 CDABHN CN(C)CCN(C)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000012360959 356295003 /nfs/dbraw/zinc/29/50/03/356295003.db2.gz CESIBADBXKPYLY-UHFFFAOYSA-N 0 3 278.352 1.020 40 0 CDABHN CN(C)C1=NC(c2ccccc2)=NS(N(C)C)=N1 ZINC000016163098 356433341 /nfs/dbraw/zinc/43/33/41/356433341.db2.gz BURWVUWNQRYMOA-UHFFFAOYSA-N 0 3 263.370 1.558 40 0 CDABHN Cc1c(Cl)cccc1NC(=O)CN1CCNCC1 ZINC000023291859 356640101 /nfs/dbraw/zinc/64/01/01/356640101.db2.gz FZTXRMPBOSXEBS-UHFFFAOYSA-N 0 3 267.760 1.492 40 0 CDABHN CCN(C(=O)CN)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079390860 356988536 /nfs/dbraw/zinc/98/85/36/356988536.db2.gz YMJFAOLCBWLRKS-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN CC(=O)N(C(C)C)C1CCN(C(=O)[C@@H](N)C(C)C)CC1 ZINC000079418034 356994492 /nfs/dbraw/zinc/99/44/92/356994492.db2.gz RYKQRISLCYBYOU-AWEZNQCLSA-N 0 3 283.416 1.218 40 0 CDABHN CC(=O)N(C(C)C)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079418030 356995551 /nfs/dbraw/zinc/99/55/51/356995551.db2.gz GYOZRIFCHFODJR-KGLIPLIRSA-N 0 3 283.416 1.218 40 0 CDABHN CC[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079416073 356995639 /nfs/dbraw/zinc/99/56/39/356995639.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 0 3 276.380 1.915 40 0 CDABHN CC[N@H+](Cc1ccccc1)C[C@@H]1CCN(CC(=O)[O-])C1 ZINC000079416073 356995642 /nfs/dbraw/zinc/99/56/42/356995642.db2.gz QRRIBLGLNWNCID-HNNXBMFYSA-N 0 3 276.380 1.915 40 0 CDABHN CCS(=O)(=O)NCCNCc1cccc2[nH]ccc21 ZINC000237052690 363585382 /nfs/dbraw/zinc/58/53/82/363585382.db2.gz UEVNVPPVVDFFMM-UHFFFAOYSA-N 0 3 281.381 1.197 40 0 CDABHN Cc1cc(N2CCOCC2)nc([C@H]2CCCN(C)C2)n1 ZINC000072364845 357831097 /nfs/dbraw/zinc/83/10/97/357831097.db2.gz FAUZZLBCIIJCFN-ZDUSSCGKSA-N 0 3 276.384 1.431 40 0 CDABHN CS(=O)(=O)N1CCCC[C@]12CCCN(CC1CC1)C2 ZINC000096047433 358706089 /nfs/dbraw/zinc/70/60/89/358706089.db2.gz JHPPIUJQKDESQL-CQSZACIVSA-N 0 3 286.441 1.677 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccsc1 ZINC000096184379 358713564 /nfs/dbraw/zinc/71/35/64/358713564.db2.gz DVFJMZILMAHMKU-KGLIPLIRSA-N 0 3 293.436 1.485 40 0 CDABHN CCN1CCOC[C@]2(CCCN(Cc3cnn(C)c3)C2)C1 ZINC000096229352 358724155 /nfs/dbraw/zinc/72/41/55/358724155.db2.gz MFGDVESIWVXWKU-MRXNPFEDSA-N 0 3 292.427 1.354 40 0 CDABHN COCCN1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000096244995 358725022 /nfs/dbraw/zinc/72/50/22/358725022.db2.gz JKGQDTKESAKDEG-ZFWWWQNUSA-N 0 3 292.354 1.362 40 0 CDABHN OC[C@@H]1C[C@H](O)CN1C[C@@H]1CCC2(CCCCC2)O1 ZINC000225528280 359598415 /nfs/dbraw/zinc/59/84/15/359598415.db2.gz ONVICQYWLIWPIY-IHRRRGAJSA-N 0 3 269.385 1.296 40 0 CDABHN O[C@@H](CNCc1ccccc1)COCc1ccco1 ZINC000026897798 359758505 /nfs/dbraw/zinc/75/85/05/359758505.db2.gz UNENPFOFQZUKJC-AWEZNQCLSA-N 0 3 261.321 1.947 40 0 CDABHN CNC(=O)c1ccc(CN(C)CC[C@H](C)O)cc1 ZINC000075782312 360463854 /nfs/dbraw/zinc/46/38/54/360463854.db2.gz UDNBUWCORHYSOU-NSHDSACASA-N 0 3 250.342 1.249 40 0 CDABHN Cc1nc(C(=O)N2CCCSC[C@@H]2CN(C)C)cs1 ZINC000090699670 374083546 /nfs/dbraw/zinc/08/35/46/374083546.db2.gz CKXSERDVLJGHQM-NSHDSACASA-N 0 3 299.465 1.961 40 0 CDABHN C[C@H]1CN(c2cnc(CC3CCN(C)CC3)cn2)C(=O)O1 ZINC000257207944 190012634 /nfs/dbraw/zinc/01/26/34/190012634.db2.gz BKABBUNWENGYBW-NSHDSACASA-N 0 3 290.367 1.706 40 0 CDABHN O=C1NCC2(CCN(CCc3ccccc3O)CC2)O1 ZINC000065742891 378573319 /nfs/dbraw/zinc/57/33/19/378573319.db2.gz YZFHFRFWXNXODD-UHFFFAOYSA-N 0 3 276.336 1.509 40 0 in-vitro CDABHN C[C@H]1NC(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096201476 256820881 /nfs/dbraw/zinc/82/08/81/256820881.db2.gz LJPFIVCYAKIBTM-GFCCVEGCSA-N 0 3 292.354 1.695 40 0 CDABHN CC(C)OC(=O)[C@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000096510354 390530391 /nfs/dbraw/zinc/53/03/91/390530391.db2.gz OYZYEXJAVIGOIB-GHMZBOCLSA-N 0 3 286.372 1.441 40 0 CDABHN COc1ccc(C[C@H](N)C(=O)NCc2ccccc2)cc1 ZINC000006411248 170199158 /nfs/dbraw/zinc/19/91/58/170199158.db2.gz SUDQUNYKYSUYOA-INIZCTEOSA-N 0 3 284.359 1.881 40 0 CDABHN COc1ccc(SCC(=O)NCCN(C)C)cc1 ZINC000020491428 171226547 /nfs/dbraw/zinc/22/65/47/171226547.db2.gz ZATGBGPEBGXVBL-UHFFFAOYSA-N 0 3 268.382 1.465 40 0 CDABHN CCN(CC)CCNCC(=O)N1c2ccccc2C[C@H]1C ZINC000022586246 171392911 /nfs/dbraw/zinc/39/29/11/171392911.db2.gz OXNJBNUHZSCFJF-CQSZACIVSA-N 0 3 289.423 1.896 40 0 CDABHN O=C(Cn1cccn1)N1CCN(C2CCCCC2)CC1 ZINC000044451445 175176490 /nfs/dbraw/zinc/17/64/90/175176490.db2.gz JPCWGRVUXCXEEB-UHFFFAOYSA-N 0 3 276.384 1.360 40 0 CDABHN CN(C)CCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000044910134 175275282 /nfs/dbraw/zinc/27/52/82/175275282.db2.gz YMTAPXBEPUTGPD-UHFFFAOYSA-N 0 3 272.352 1.223 40 0 CDABHN NCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220503 176342931 /nfs/dbraw/zinc/34/29/31/176342931.db2.gz WOADUPLANZMLIZ-UHFFFAOYSA-N 0 3 280.715 1.007 40 0 CDABHN C[C@H](CN1CCCC1)NC(=O)c1ccc(-n2cccn2)nc1 ZINC000019656174 279298762 /nfs/dbraw/zinc/29/87/62/279298762.db2.gz XLLBFKMKRXGTNB-CYBMUJFWSA-N 0 3 299.378 1.481 40 0 CDABHN CN(C)CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2 ZINC000257215792 289075685 /nfs/dbraw/zinc/07/56/85/289075685.db2.gz CRRIAJMDBQXWNU-KNCOVGOOSA-N 0 3 279.428 1.412 40 0 CDABHN C[C@@]1(NC[C@@H]2CCC(=O)N2)CCOc2ccccc21 ZINC000933370492 617403289 /nfs/dbraw/zinc/40/32/89/617403289.db2.gz LUVRALQCQKMPKI-XHDPSFHLSA-N 0 3 260.337 1.553 40 0 CDABHN COCCN1CC[C@H]2CN(Cc3cccnc3)C[C@@H]2C1=O ZINC000096054619 185075694 /nfs/dbraw/zinc/07/56/94/185075694.db2.gz SDYQUVCRJCEOOZ-GJZGRUSLSA-N 0 3 289.379 1.008 40 0 CDABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053807 185076556 /nfs/dbraw/zinc/07/65/56/185076556.db2.gz XMBFHTKSEWIBNU-OKILXGFUSA-N 0 3 297.358 1.879 40 0 CDABHN Cc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)s1 ZINC000096061617 185082980 /nfs/dbraw/zinc/08/29/80/185082980.db2.gz FGWZOGCOKOMNKY-LSDHHAIUSA-N 0 3 291.420 1.968 40 0 CDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccco2)cn1 ZINC000096061610 185083308 /nfs/dbraw/zinc/08/33/08/185083308.db2.gz IAIWOLJWTJOSSM-UONOGXRCSA-N 0 3 261.325 1.191 40 0 CDABHN c1cc2n(n1)[C@@H](CN1CCCC1)CN(C1CCOCC1)C2 ZINC000253603689 362440580 /nfs/dbraw/zinc/44/05/80/362440580.db2.gz KANVNZWWTUJPFI-INIZCTEOSA-N 0 3 290.411 1.515 40 0 CDABHN C[C@H](Cc1ccccc1F)NC[C@H]1CCCS1(=O)=O ZINC000157783030 188338605 /nfs/dbraw/zinc/33/86/05/188338605.db2.gz KGBQMIWFESCUES-DGCLKSJQSA-N 0 3 285.384 1.924 40 0 CDABHN CN1C[C@@H]2CN(C(=O)CC(C)(C)C)CCN2C(C)(C)C1 ZINC000253400779 283207507 /nfs/dbraw/zinc/20/75/07/283207507.db2.gz LUQPEBRSVPMHSD-CYBMUJFWSA-N 0 3 281.444 1.659 40 0 biogenic,in-vitro CDABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391368 356988513 /nfs/dbraw/zinc/98/85/13/356988513.db2.gz CWYVJAJQHXDZLC-NEPJUHHUSA-N 0 3 299.415 1.485 40 0 CDABHN CN1CCN(CCCNC(=O)c2cccc(F)c2)CC1 ZINC000061523633 358554217 /nfs/dbraw/zinc/55/42/17/358554217.db2.gz ATLQUXSLQLKDCF-UHFFFAOYSA-N 0 3 279.359 1.193 40 0 CDABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccco2)cn1 ZINC000096184592 358713689 /nfs/dbraw/zinc/71/36/89/358713689.db2.gz WMDUYGRVLMKNGN-JKSUJKDBSA-N 0 3 286.379 1.862 40 0 CDABHN CN1CCc2c(c(COc3cncnc3)nn2CC2CC2)C1 ZINC000096259837 358729642 /nfs/dbraw/zinc/72/96/42/358729642.db2.gz HMGSUKXZWYUPCV-UHFFFAOYSA-N 0 3 299.378 1.650 40 0 CDABHN Cc1ccc(Cl)cc1N1CC[C@@H](CN)S1(=O)=O ZINC000222544967 359352787 /nfs/dbraw/zinc/35/27/87/359352787.db2.gz OTJZECXNUBUQAK-JTQLQIEISA-N 0 3 274.773 1.516 40 0 CDABHN CCN1CCN(c2ccc3[nH]c(=NN)sc3c2)CC1 ZINC000057332244 360142992 /nfs/dbraw/zinc/14/29/92/360142992.db2.gz QQZFNDXRAIDIAU-UHFFFAOYSA-N 0 3 277.397 1.724 40 0 CDABHN COC(=O)c1cn(C)nc1COCCN1CCCCC1 ZINC000575440957 365003500 /nfs/dbraw/zinc/00/35/00/365003500.db2.gz JGYDYCZDYHLWPH-UHFFFAOYSA-N 0 3 281.356 1.209 40 0 CDABHN CCCn1cc(CNCCCN2CCOCC2)cn1 ZINC000116912018 372355483 /nfs/dbraw/zinc/35/54/83/372355483.db2.gz KFTCJCXCLATDAL-UHFFFAOYSA-N 0 3 266.389 1.105 40 0 CDABHN C[C@H]1CN(C(=O)[C@@H](N)Cc2ccccc2)CC(C)(C)O1 ZINC000041679804 373977394 /nfs/dbraw/zinc/97/73/94/373977394.db2.gz SHONQYTYXWQYRN-JSGCOSHPSA-N 0 3 276.380 1.582 40 0 CDABHN CN(C[C@@H](O)CC1CCCC1)[C@@H]1CCCCNC1=O ZINC000225596913 374929954 /nfs/dbraw/zinc/92/99/54/374929954.db2.gz WMZNYJLIVXECMH-UONOGXRCSA-N 0 3 268.401 1.528 40 0 CDABHN CC1(C)C[C@H](NCC(=O)NCc2cccnc2)C(C)(C)O1 ZINC000132554992 375526267 /nfs/dbraw/zinc/52/62/67/375526267.db2.gz LVCRNSCYCTUICH-ZDUSSCGKSA-N 0 3 291.395 1.634 40 0 CDABHN c1nn(C2CCCC2)cc1CNCCCN1CCOCC1 ZINC000256049906 190002874 /nfs/dbraw/zinc/00/28/74/190002874.db2.gz BYAWXJMBPISOMU-UHFFFAOYSA-N 0 3 292.427 1.810 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)/C=C/c2cccs2)C1 ZINC000257284061 190026595 /nfs/dbraw/zinc/02/65/95/190026595.db2.gz PBCCBVHNJBNZJB-VBROQKIQSA-N 0 3 280.393 1.286 40 0 CDABHN CN(C)CCOC(=O)c1ccc(Br)o1 ZINC000026770622 376280794 /nfs/dbraw/zinc/28/07/94/376280794.db2.gz QSUZNOABBVTKHP-UHFFFAOYSA-N 0 3 262.103 1.761 40 0 CDABHN COc1ccc(CN2CCC3(CCNC3=O)CC2)cc1 ZINC000096157705 256813432 /nfs/dbraw/zinc/81/34/32/256813432.db2.gz PMHZRYPDUSLPEU-UHFFFAOYSA-N 0 3 274.364 1.797 40 0 CDABHN CC(=O)N1CCO[C@@H]2CCN(Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249491 256834738 /nfs/dbraw/zinc/83/47/38/256834738.db2.gz JEBNGVPJHDYRET-LSDHHAIUSA-N 0 3 277.368 1.226 40 0 CDABHN CCCCN[C@@H]1CS(=O)(=O)C[C@H]1Nc1ccccc1 ZINC000055112098 390488641 /nfs/dbraw/zinc/48/86/41/390488641.db2.gz YTYFYSXDNUDVKJ-ZIAGYGMSSA-N 0 3 282.409 1.654 40 0 CDABHN Cc1nc2c(c(=O)n1Cc1ccccc1)CNCC2 ZINC000096516480 390534734 /nfs/dbraw/zinc/53/47/34/390534734.db2.gz SAFMNYGZWOHOPM-UHFFFAOYSA-N 0 3 255.321 1.246 40 0 CDABHN COc1ccccc1CCNCc1cnc(N)nc1 ZINC000062717400 391571796 /nfs/dbraw/zinc/57/17/96/391571796.db2.gz XRCBOSREGXPQJI-UHFFFAOYSA-N 0 3 258.325 1.400 40 0 CDABHN CC(=O)N1CCNC[C@@H](COCc2ccccc2)C1 ZINC000072343395 176371452 /nfs/dbraw/zinc/37/14/52/176371452.db2.gz BCPRJFOSKFRXHM-OAHLLOKOSA-N 0 3 262.353 1.271 40 0 CDABHN CC(=O)N1CCNC[C@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072344405 176373100 /nfs/dbraw/zinc/37/31/00/176373100.db2.gz UICBGBHXLLBNPW-ZDUSSCGKSA-N 0 3 272.352 1.173 40 0 CDABHN Cn1cc(CN2CCC[C@H](c3cc(CO)[nH]n3)C2)cn1 ZINC000072364265 176378783 /nfs/dbraw/zinc/37/87/83/176378783.db2.gz DWXYLJNPBQLQRD-LBPRGKRZSA-N 0 3 275.356 1.015 40 0 CDABHN Cn1cc(CN2CCC[C@H](c3cc(CCO)[nH]n3)C2)cn1 ZINC000072364267 176378807 /nfs/dbraw/zinc/37/88/07/176378807.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 0 3 289.383 1.058 40 0 CDABHN Cn1cc(CN2CCC[C@H](c3cc(CCO)n[nH]3)C2)cn1 ZINC000072364267 176378810 /nfs/dbraw/zinc/37/88/10/176378810.db2.gz DKYXCLSYJFZDBL-ZDUSSCGKSA-N 0 3 289.383 1.058 40 0 CDABHN COC(=O)[C@@]12CC1C(=O)c1cc(Cl)ccc1O2 ZINC000085392961 277379483 /nfs/dbraw/zinc/37/94/83/277379483.db2.gz GUAYSQRGZAXTAW-PRHODGIISA-N 0 3 252.653 1.847 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)C1CCN(C(=O)CN)CC1 ZINC000079409276 279299305 /nfs/dbraw/zinc/29/93/05/279299305.db2.gz SAPPKTUISVATID-UHFFFAOYSA-N 0 3 299.415 1.582 40 0 CDABHN CC(C(=O)NC1(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000079040617 298138197 /nfs/dbraw/zinc/13/81/97/298138197.db2.gz PLIKYHQRANDWED-SECBINFHSA-N 0 3 285.340 1.364 40 0 CDABHN CN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cccs1 ZINC000096056461 185078085 /nfs/dbraw/zinc/07/80/85/185078085.db2.gz FGANOLKZSUDIOZ-VXGBXAGGSA-N 0 3 250.367 1.943 40 0 CDABHN CCOC[C@@H]1CN(C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093787 342211314 /nfs/dbraw/zinc/21/13/14/342211314.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 0 3 278.400 1.261 40 0 CDABHN CCOC[C@@H]1CN(C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093787 342211315 /nfs/dbraw/zinc/21/13/15/342211315.db2.gz GAEXAZQIRSZKHK-ZDUSSCGKSA-N 0 3 278.400 1.261 40 0 CDABHN CN1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1 ZINC000585099202 342212240 /nfs/dbraw/zinc/21/22/40/342212240.db2.gz UIAICESIJKTZFS-ZDUSSCGKSA-N 0 3 261.369 1.466 40 0 CDABHN CN(C)C/C=C/C(=O)N1CCC2(COC(C)(C)C2)CC1 ZINC000585290114 342258719 /nfs/dbraw/zinc/25/87/19/342258719.db2.gz SKIBENVBUOWNLE-AATRIKPKSA-N 0 3 280.412 1.912 40 0 CDABHN CC1(C)CN(C[C@H](O)Cn2cccn2)[C@H]1[C@@H]1CCCO1 ZINC000329856618 362073400 /nfs/dbraw/zinc/07/34/00/362073400.db2.gz UWQIHDXGDOXTNC-IHRRRGAJSA-N 0 3 279.384 1.133 40 0 CDABHN CC(C)NC(=O)[C@H]1C[C@H]2CN(Cc3cnn(C)c3)C[C@H]2C1 ZINC000107254049 186164119 /nfs/dbraw/zinc/16/41/19/186164119.db2.gz WNMRVUNITOKDPL-QKDCVEJESA-N 0 3 290.411 1.403 40 0 CDABHN Cc1ccn(CCNC(=O)CN2CCC[C@@H](C)C2)n1 ZINC000019238130 356478087 /nfs/dbraw/zinc/47/80/87/356478087.db2.gz LFUNINWRGIDLFC-GFCCVEGCSA-N 0 3 264.373 1.040 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409201 356992147 /nfs/dbraw/zinc/99/21/47/356992147.db2.gz PLLZKTLSVDYYFT-NWDGAFQWSA-N 0 3 299.415 1.630 40 0 CDABHN O=C(NC[C@H]1CCN(CCO)C1)OCc1ccccc1 ZINC000079410877 356993263 /nfs/dbraw/zinc/99/32/63/356993263.db2.gz QDJUYSXULYHLRU-CQSZACIVSA-N 0 3 278.352 1.227 40 0 CDABHN CSc1ccc(CN(C(=O)CN)C2CC2)cc1 ZINC000079420524 358070056 /nfs/dbraw/zinc/07/00/56/358070056.db2.gz JNDDQCZIAVFRAA-UHFFFAOYSA-N 0 3 250.367 1.858 40 0 CDABHN Cc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183290 358713215 /nfs/dbraw/zinc/71/32/15/358713215.db2.gz CVACXILMKJJZLE-LSDHHAIUSA-N 0 3 288.395 1.475 40 0 CDABHN C[C@@H]1NC(=O)COC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096201477 358717968 /nfs/dbraw/zinc/71/79/68/358717968.db2.gz LJPFIVCYAKIBTM-LBPRGKRZSA-N 0 3 292.354 1.695 40 0 CDABHN Cc1cccc(CN2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200569 358718425 /nfs/dbraw/zinc/71/84/25/358718425.db2.gz AWAJNYBJOQQHLT-HOTGVXAUSA-N 0 3 286.379 1.301 40 0 CDABHN CN(C)C(=O)C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1 ZINC000096207674 358719958 /nfs/dbraw/zinc/71/99/58/358719958.db2.gz NNDWKAJWDHAZII-BFHYXJOUSA-N 0 3 294.420 1.816 40 0 CDABHN COCCN1CC[C@@]2(CCCN(Cc3ccoc3)C2)C1=O ZINC000096223955 358723038 /nfs/dbraw/zinc/72/30/38/358723038.db2.gz YKARZTBVCBGXCO-MRXNPFEDSA-N 0 3 292.379 1.741 40 0 CDABHN C1CC1Nc1nc(N2CCCC2)nc2c1CNCC2 ZINC000096254123 358727714 /nfs/dbraw/zinc/72/77/14/358727714.db2.gz RDVQNSSTWJKTMW-UHFFFAOYSA-N 0 3 259.357 1.297 40 0 CDABHN CCN1CCc2cc(C(=O)NC)c(NC(C)C)nc2CC1 ZINC000096260419 358729876 /nfs/dbraw/zinc/72/98/76/358729876.db2.gz VYRHKGSBXWYQPR-UHFFFAOYSA-N 0 3 290.411 1.682 40 0 CDABHN Cn1cnc2c1CCN(CC1CC1)[C@H]2CN1CCCC1 ZINC000096259798 358729905 /nfs/dbraw/zinc/72/99/05/358729905.db2.gz XVYIUAYSSCIWKH-HNNXBMFYSA-N 0 3 274.412 1.825 40 0 CDABHN Cc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1Cl ZINC000222546486 359354282 /nfs/dbraw/zinc/35/42/82/359354282.db2.gz QEACSVXELWUVOW-JTQLQIEISA-N 0 3 274.773 1.516 40 0 CDABHN COc1cc(NC(=O)[C@@H](N)C(C)C)cc(OC)c1 ZINC000019429945 367279172 /nfs/dbraw/zinc/27/91/72/367279172.db2.gz RIXSANRSIDJCBV-LBPRGKRZSA-N 0 3 252.314 1.626 40 0 CDABHN CN(C)C1(CN(C)C(=O)N[C@H]2CCC[C@@H]2CCO)CCC1 ZINC000225472271 189753342 /nfs/dbraw/zinc/75/33/42/189753342.db2.gz OJVNVVPSHDWSBP-KGLIPLIRSA-N 0 3 297.443 1.663 40 0 CDABHN O=c1cc(-c2ccncc2)nc([C@@H]2CCC[NH2+]C2)[n-]1 ZINC000019405551 374732331 /nfs/dbraw/zinc/73/23/31/374732331.db2.gz KBNXBPIHYRJYKI-LLVKDONJSA-N 0 3 256.309 1.299 40 0 CDABHN CC[C@H](C)n1nccc1CNCCCN1CCOCC1 ZINC000256051126 190004022 /nfs/dbraw/zinc/00/40/22/190004022.db2.gz HVKNEPHKSUVMDP-AWEZNQCLSA-N 0 3 280.416 1.666 40 0 CDABHN COc1ccc([C@H]2CN(C)C[C@@H]2CO)cc1OC ZINC000217674324 375703103 /nfs/dbraw/zinc/70/31/03/375703103.db2.gz XHXDOFSAVHGMOV-VXGBXAGGSA-N 0 3 251.326 1.341 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2cccc(N)n2)C1 ZINC000257222251 190014648 /nfs/dbraw/zinc/01/46/48/190014648.db2.gz DSONCHSWTYEVFO-CYBMUJFWSA-N 0 3 273.340 1.269 40 0 CDABHN CN(Cc1ccnc([C@H]2CCCO2)n1)C1CCN(C)CC1 ZINC000257260980 190022701 /nfs/dbraw/zinc/02/27/01/190022701.db2.gz LFHWUYHMTCGOGG-OAHLLOKOSA-N 0 3 290.411 1.854 40 0 CDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cc(F)ccc2F)C1 ZINC000257310409 190032122 /nfs/dbraw/zinc/03/21/22/190032122.db2.gz UEZAGOAQHMZUOM-GFCCVEGCSA-N 0 3 297.349 1.074 40 0 CDABHN NC[C@@H](c1cncc(Br)c1)N1CCOCC1 ZINC000096511147 390530732 /nfs/dbraw/zinc/53/07/32/390530732.db2.gz MHSVBWJLRDAKEP-NSHDSACASA-N 0 3 286.173 1.176 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H](Cn2cc(CN)nn2)C1 ZINC000409425264 390554805 /nfs/dbraw/zinc/55/48/05/390554805.db2.gz KGGWRDBQBRRWIW-NSHDSACASA-N 0 3 295.387 1.384 40 0 CDABHN Fc1ccc(-c2cc(N3CCNCC3)ncn2)cc1 ZINC000082567937 135008192 /nfs/dbraw/zinc/00/81/92/135008192.db2.gz RWBIFEZOWUGNMU-UHFFFAOYSA-N 0 3 258.300 1.692 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000022165633 171365518 /nfs/dbraw/zinc/36/55/18/171365518.db2.gz HUYPIKDZTWEIMM-SLEUVZQESA-N 0 3 294.395 1.813 40 0 CDABHN C[C@]1(C(F)F)CN(C(=O)C2(N)CC3(CCC3)C2)CCO1 ZINC000663003580 413802257 /nfs/dbraw/zinc/80/22/57/413802257.db2.gz ZLAPDZKTVGZULR-GFCCVEGCSA-N 0 3 288.338 1.531 40 0 CDABHN Cc1nc(CCC(N)=O)cc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072366368 176381395 /nfs/dbraw/zinc/38/13/95/176381395.db2.gz VVSIZUPTTOQHOA-CYBMUJFWSA-N 0 3 290.411 1.791 40 0 CDABHN CC(C)N1CCN(CCc2ccccc2)C[C@@H]1C(N)=O ZINC000072367721 176382952 /nfs/dbraw/zinc/38/29/52/176382952.db2.gz FITFINWTRXQKFB-OAHLLOKOSA-N 0 3 275.396 1.109 40 0 CDABHN CCN1CCOC[C@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229354 276389853 /nfs/dbraw/zinc/38/98/53/276389853.db2.gz AERCGQGONHWSNW-MRXNPFEDSA-N 0 3 290.411 1.724 40 0 CDABHN CCN(C(C)=O)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079417986 279013802 /nfs/dbraw/zinc/01/38/02/279013802.db2.gz SYJXTMADJWQXPQ-IHRRRGAJSA-N 0 3 283.416 1.266 40 0 CDABHN CCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391246 279219454 /nfs/dbraw/zinc/21/94/54/279219454.db2.gz LSDDOAJZYKUXBC-RYUDHWBXSA-N 0 3 299.415 1.582 40 0 CDABHN Cc1cccc(N2CC[C@H](CN)S2(=O)=O)c1C ZINC000260759166 328064000 /nfs/dbraw/zinc/06/40/00/328064000.db2.gz FFBHQZSTGSPQKZ-LLVKDONJSA-N 0 3 254.355 1.171 40 0 CDABHN CCCNc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717713 333176166 /nfs/dbraw/zinc/17/61/66/333176166.db2.gz JEPBDAHZWUGWLR-UHFFFAOYSA-N 0 3 274.372 1.675 40 0 CDABHN COCCN1CC[C@H]2CN(Cc3ccccn3)C[C@@H]2C1=O ZINC000096054618 185076397 /nfs/dbraw/zinc/07/63/97/185076397.db2.gz DXCKBWJPXDLKPQ-ZFWWWQNUSA-N 0 3 289.379 1.008 40 0 CDABHN COCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053906 185076834 /nfs/dbraw/zinc/07/68/34/185076834.db2.gz WIDKRHFQVQDGDN-OKILXGFUSA-N 0 3 292.354 1.362 40 0 CDABHN c1csc(CNC[C@@H]2Cn3nncc3CO2)c1 ZINC000096060992 185082831 /nfs/dbraw/zinc/08/28/31/185082831.db2.gz LGHXCLWDLKXCIT-SNVBAGLBSA-N 0 3 250.327 1.028 40 0 CDABHN COCC[C@H]1CO[C@]2(C1)CCCN(Cc1cnc[nH]1)C2 ZINC000096073420 185088062 /nfs/dbraw/zinc/08/80/62/185088062.db2.gz CIRNHUGSLSPKBC-HIFRSBDPSA-N 0 3 279.384 1.817 40 0 CDABHN CCN1C(=O)C[C@@H]2[C@H]1CCN2Cc1cccc(C)n1 ZINC000096081181 185091462 /nfs/dbraw/zinc/09/14/62/185091462.db2.gz MXOBEFGLJUQCRZ-ZIAGYGMSSA-N 0 3 259.353 1.585 40 0 CDABHN CN1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104105 342212516 /nfs/dbraw/zinc/21/25/16/342212516.db2.gz JBARUBIYIVRRAO-MRXNPFEDSA-N 0 3 274.364 1.367 40 0 CDABHN CN(C)[C@H]1CN(Cc2ccc(OCCF)cc2)C[C@@H]1O ZINC000585270278 342255636 /nfs/dbraw/zinc/25/56/36/342255636.db2.gz SRKRVRRBOICOJT-GJZGRUSLSA-N 0 3 282.359 1.142 40 0 CDABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3[nH]ccc3c2)[C@@H]1O ZINC000585290946 342258871 /nfs/dbraw/zinc/25/88/71/342258871.db2.gz JFHJWQXHRWGWLU-OAGGEKHMSA-N 0 3 290.363 1.374 40 0 CDABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)CO)cc2c1 ZINC000585293219 342259152 /nfs/dbraw/zinc/25/91/52/342259152.db2.gz SERSMROCBOUQKK-CYBMUJFWSA-N 0 3 276.336 1.000 40 0 CDABHN CC(C)c1ccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585294736 342260621 /nfs/dbraw/zinc/26/06/21/342260621.db2.gz IQJDTHDDFWZFAT-BJKJVOPESA-N 0 3 279.380 1.097 40 0 CDABHN Cn1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000503723230 362302270 /nfs/dbraw/zinc/30/22/70/362302270.db2.gz NCAMOZYNKFWSLB-HOTGVXAUSA-N 0 3 290.411 1.105 40 0 CDABHN CN(C)C[C@@H]1COCCN1C(=O)Cc1ccccc1 ZINC000085469991 179075417 /nfs/dbraw/zinc/07/54/17/179075417.db2.gz WRYAQJYUBFKPTK-CQSZACIVSA-N 0 3 262.353 1.018 40 0 CDABHN CC(C)N(CCO)C[C@@H]1COc2ccccc2O1 ZINC000050103762 355887978 /nfs/dbraw/zinc/88/79/78/355887978.db2.gz PZFNQHKQDFISBZ-GFCCVEGCSA-N 0 3 251.326 1.529 40 0 CDABHN CS(=O)(=O)N1CCCC[C@@H]1CCN1CCCCC1 ZINC000001694475 355947921 /nfs/dbraw/zinc/94/79/21/355947921.db2.gz YRQSMKZHDMJZRV-CYBMUJFWSA-N 0 3 274.430 1.677 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391390 356988675 /nfs/dbraw/zinc/98/86/75/356988675.db2.gz QLVOFDRZIGLEMI-RYUDHWBXSA-N 0 3 299.415 1.438 40 0 CDABHN C[N@@H+](Cc1ccccc1)C[C@H]1CCCN(CC(=O)[O-])C1 ZINC000079416041 356995725 /nfs/dbraw/zinc/99/57/25/356995725.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 0 3 276.380 1.915 40 0 CDABHN C[N@H+](Cc1ccccc1)C[C@H]1CCCN(CC(=O)[O-])C1 ZINC000079416041 356995729 /nfs/dbraw/zinc/99/57/29/356995729.db2.gz OTXLUJPDRDTOLU-OAHLLOKOSA-N 0 3 276.380 1.915 40 0 CDABHN CC(C)N(Cc1cnc(Cl)s1)C(=O)[C@H](C)N ZINC000079422113 356996179 /nfs/dbraw/zinc/99/61/79/356996179.db2.gz AWBIDZCWPCFOPU-ZETCQYMHSA-N 0 3 261.778 1.881 40 0 CDABHN C[C@@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397372 357832418 /nfs/dbraw/zinc/83/24/18/357832418.db2.gz ZVSWVLRLGPVXER-CYBMUJFWSA-N 0 3 276.384 1.545 40 0 CDABHN C[C@H]1C[C@H](C)CN(Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397379 357832936 /nfs/dbraw/zinc/83/29/36/357832936.db2.gz BCHDRTJILNPJNE-KBPBESRZSA-N 0 3 290.411 1.791 40 0 CDABHN CN(C)CCn1ncc2c(Br)cccc2c1=O ZINC000095097290 366504507 /nfs/dbraw/zinc/50/45/07/366504507.db2.gz WXGZHJNRBGLMCG-UHFFFAOYSA-N 0 3 296.168 1.721 40 0 CDABHN CCc1ccccc1N1CC[C@@H](CN)S1(=O)=O ZINC000222540090 359353014 /nfs/dbraw/zinc/35/30/14/359353014.db2.gz UGFQVFQCRPEHDC-NSHDSACASA-N 0 3 254.355 1.116 40 0 CDABHN COc1ccc(NC(=O)C2=NO[C@]3(C2)CCCNC3)cc1 ZINC000306136917 374970087 /nfs/dbraw/zinc/97/00/87/374970087.db2.gz QGUFBOUYYOUAEZ-HNNXBMFYSA-N 0 3 289.335 1.532 40 0 CDABHN COCCCNCc1cn(C)nc1C(F)(F)F ZINC000256049892 190002980 /nfs/dbraw/zinc/00/29/80/190002980.db2.gz BXBGMLHKIPOMKJ-UHFFFAOYSA-N 0 3 251.252 1.565 40 0 CDABHN OC1(CN2CCC[C@@H]2c2cnccn2)CCOCC1 ZINC000257228973 190016309 /nfs/dbraw/zinc/01/63/09/190016309.db2.gz FWBFTIPMFVBXEK-CYBMUJFWSA-N 0 3 263.341 1.155 40 0 CDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccccc2F)C1 ZINC000257233278 190016862 /nfs/dbraw/zinc/01/68/62/190016862.db2.gz GOOUWFMSILGMCA-CQSZACIVSA-N 0 3 293.386 1.278 40 0 CDABHN Cc1nc(C(=O)NCC2CC2)cc(C2CCN(C)CC2)n1 ZINC000257247147 190019352 /nfs/dbraw/zinc/01/93/52/190019352.db2.gz IXRZJOAQJFWHAE-UHFFFAOYSA-N 0 3 288.395 1.734 40 0 CDABHN COCCN1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 ZINC000257274088 190025087 /nfs/dbraw/zinc/02/50/87/190025087.db2.gz NJMQBNRZOWEXQZ-HUUCEWRRSA-N 0 3 265.353 1.537 40 0 CDABHN C[C@@H]1CN(c2cncc(C3CCN(C)CC3)n2)C(=O)O1 ZINC000257293128 190028682 /nfs/dbraw/zinc/02/86/82/190028682.db2.gz QOGOJLLQLDLIQF-SNVBAGLBSA-N 0 3 276.340 1.631 40 0 CDABHN Cc1ccc2c(n1)N(CCn1cccn1)CCNC2 ZINC000096260869 390434921 /nfs/dbraw/zinc/43/49/21/390434921.db2.gz NCRBNZCWCOBUCO-UHFFFAOYSA-N 0 3 257.341 1.196 40 0 CDABHN COc1ccc([C@@H](N)c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095533699 390607051 /nfs/dbraw/zinc/60/70/51/390607051.db2.gz LGTXATPWLSTSNU-CYBMUJFWSA-N 0 3 284.323 1.106 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000242400250 392695612 /nfs/dbraw/zinc/69/56/12/392695612.db2.gz ARXKOCAAFLCZJU-RRFJBIMHSA-N 0 3 297.420 1.487 40 0 CDABHN CC(C)NC(=O)N1CCC(CN2CCN(C)C[C@@H]2C)CC1 ZINC000085468295 397611165 /nfs/dbraw/zinc/61/11/65/397611165.db2.gz UWKAPPSLLUOJAH-AWEZNQCLSA-N 0 3 296.459 1.452 40 0 CDABHN C[C@H](CN1CCCC1)NC(=O)c1ccc2c(c1)ncn2C ZINC000019718642 170842847 /nfs/dbraw/zinc/84/28/47/170842847.db2.gz VAJIYARKCGEFRN-GFCCVEGCSA-N 0 3 286.379 1.787 40 0 CDABHN Brc1ccc(N2CCN3CCC2CC3)nn1 ZINC000071255436 176095505 /nfs/dbraw/zinc/09/55/05/176095505.db2.gz HDTMGTDXVWAWEJ-UHFFFAOYSA-N 0 3 283.173 1.524 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(F)c1 ZINC000072397568 176394770 /nfs/dbraw/zinc/39/47/70/176394770.db2.gz JGYRAOGEWYUKGQ-NILFDRSVSA-N 0 3 264.344 1.465 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc(F)ccc1F ZINC000072397613 176395291 /nfs/dbraw/zinc/39/52/91/176395291.db2.gz CXRGNYDKPUQGJC-LEWSCRJBSA-N 0 3 282.334 1.604 40 0 CDABHN CC(C)CCN1C[C@H]2C[C@@H](C(=O)NC(C)C)[C@@H](C1)O2 ZINC000248295626 277354952 /nfs/dbraw/zinc/35/49/52/277354952.db2.gz WWOUFUXPKOXBOC-MGPQQGTHSA-N 0 3 268.401 1.646 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(CCO)C1 ZINC000079407967 279004976 /nfs/dbraw/zinc/00/49/76/279004976.db2.gz ZRDOOJASGDMATQ-NSHDSACASA-N 0 3 258.362 1.310 40 0 CDABHN Fc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1F ZINC000096269249 327113407 /nfs/dbraw/zinc/11/34/07/327113407.db2.gz BELNUSANSLRJED-NSHDSACASA-N 0 3 279.290 1.850 40 0 biogenic,in-vitro CDABHN COc1ccc([C@H](N)c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095533736 185006081 /nfs/dbraw/zinc/00/60/81/185006081.db2.gz PYWSDXLDABYWSV-RYUDHWBXSA-N 0 3 274.324 1.713 40 0 CDABHN N[C@H](c1nnc(Cn2cccn2)[nH]1)c1ccccc1 ZINC000095533428 185006851 /nfs/dbraw/zinc/00/68/51/185006851.db2.gz BKYFGSXQPHXWQX-LBPRGKRZSA-N 0 3 254.297 1.098 40 0 CDABHN COCCN1C[C@@H](Nc2ccccn2)[C@H]2OCCC[C@H]2C1 ZINC000096040699 185069295 /nfs/dbraw/zinc/06/92/95/185069295.db2.gz PEAUNLBXLANUPS-LZWOXQAQSA-N 0 3 291.395 1.619 40 0 CDABHN CN1CCOCC12CCN(Cc1ccco1)CC2 ZINC000096048898 185072457 /nfs/dbraw/zinc/07/24/57/185072457.db2.gz UCESKMJZKLZGAJ-UHFFFAOYSA-N 0 3 250.342 1.576 40 0 CDABHN O[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1cccnc1 ZINC000096061605 185082508 /nfs/dbraw/zinc/08/25/08/185082508.db2.gz ZPQHUGZRGSXEFD-JKSUJKDBSA-N 0 3 269.348 1.655 40 0 CDABHN c1csc(CNC[C@H]2Cn3nncc3CO2)c1 ZINC000096060993 185082638 /nfs/dbraw/zinc/08/26/38/185082638.db2.gz LGHXCLWDLKXCIT-JTQLQIEISA-N 0 3 250.327 1.028 40 0 CDABHN CN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076205 185089544 /nfs/dbraw/zinc/08/95/44/185089544.db2.gz SZWDVKXCGGBVMW-OAHLLOKOSA-N 0 3 294.420 1.933 40 0 CDABHN Cn1cncc1C(=O)N1CC[C@@]2(CCN2CC2CC2)C1 ZINC000096075996 185090411 /nfs/dbraw/zinc/09/04/11/185090411.db2.gz UDOLNKHMLFYXSE-OAHLLOKOSA-N 0 3 274.368 1.121 40 0 CDABHN CC(C)CC(=O)N1Cc2ccnn2[C@@H](CN(C)C)C1 ZINC000585095176 342211420 /nfs/dbraw/zinc/21/14/20/342211420.db2.gz IDZRLUPNMINJRZ-ZDUSSCGKSA-N 0 3 264.373 1.374 40 0 CDABHN CNC(=O)C1=NO[C@@]2(C1)CCCN(CCC(C)C)C2 ZINC000585101310 342212354 /nfs/dbraw/zinc/21/23/54/342212354.db2.gz XGVHRRYUXMAHHM-CQSZACIVSA-N 0 3 267.373 1.389 40 0 CDABHN COCCN1CCC[C@@](O)(COc2ccc(C)cc2)C1 ZINC000585268909 342254401 /nfs/dbraw/zinc/25/44/01/342254401.db2.gz DFIVNKXMAFPZKG-INIZCTEOSA-N 0 3 279.380 1.847 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(c1ncccn1)CC2 ZINC000096047929 282227291 /nfs/dbraw/zinc/22/72/91/282227291.db2.gz PMLQXELTDZIKDP-LBPRGKRZSA-N 0 3 262.357 1.166 40 0 CDABHN CCN1C[C@@H](C)[C@@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743282 345452326 /nfs/dbraw/zinc/45/23/26/345452326.db2.gz OLBQYWDGSMBIID-RISCZKNCSA-N 0 3 276.384 1.529 40 0 CDABHN CN(C)[C@H]1CCCN(C(=O)Nc2nccs2)C1 ZINC000069216443 349093794 /nfs/dbraw/zinc/09/37/94/349093794.db2.gz UPVWCJYFIHOVCS-VIFPVBQESA-N 0 3 254.359 1.701 40 0 CDABHN c1cc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)co1 ZINC000107746635 186189416 /nfs/dbraw/zinc/18/94/16/186189416.db2.gz DEOKXVDOAVQACW-CVEARBPZSA-N 0 3 276.380 1.965 40 0 CDABHN CNCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000001669917 355946085 /nfs/dbraw/zinc/94/60/85/355946085.db2.gz DAJONRZNJCVWHE-UHFFFAOYSA-N 0 3 264.325 1.657 40 0 CDABHN COc1ccc(-c2ncc(CN3CC[C@H](CO)C3)cn2)cc1 ZINC000012183006 356290544 /nfs/dbraw/zinc/29/05/44/356290544.db2.gz NZURPCZCYNWCLF-ZDUSSCGKSA-N 0 3 299.374 1.966 40 0 CDABHN COc1ccc(CSCC(=O)NCCN(C)C)cc1 ZINC000013612502 356350171 /nfs/dbraw/zinc/35/01/71/356350171.db2.gz IDBWLPQIMFHPLX-UHFFFAOYSA-N 0 3 282.409 1.606 40 0 CDABHN CN(C)CCNC(=S)Nc1ccc(F)cc1F ZINC000013765450 356356956 /nfs/dbraw/zinc/35/69/56/356356956.db2.gz GLKKVPKRFKPVQR-UHFFFAOYSA-N 0 3 259.325 1.813 40 0 CDABHN CCOC(=O)C[C@@]1(N)CCCN(C(=O)OC(C)(C)C)C1 ZINC000091303315 358509540 /nfs/dbraw/zinc/50/95/40/358509540.db2.gz ZSZRYZNIEKNLGN-AWEZNQCLSA-N 0 3 286.372 1.668 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391244 356988486 /nfs/dbraw/zinc/98/84/86/356988486.db2.gz YKBMEICFWDODBH-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN CN(C[C@@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404157 356989288 /nfs/dbraw/zinc/98/92/88/356989288.db2.gz KBZJWKHZJFYMLV-HNNXBMFYSA-N 0 3 275.396 1.458 40 0 CDABHN Cc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)s1 ZINC000072397660 357832925 /nfs/dbraw/zinc/83/29/25/357832925.db2.gz MUPLHMGBHUJIAM-KGYLQXTDSA-N 0 3 266.410 1.696 40 0 CDABHN Cc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)s1 ZINC000027932597 358067515 /nfs/dbraw/zinc/06/75/15/358067515.db2.gz WOFKQVMFAMGTIH-LLVKDONJSA-N 0 3 250.367 1.977 40 0 CDABHN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 ZINC000082334429 358160423 /nfs/dbraw/zinc/16/04/23/358160423.db2.gz OSZMTRSQMDESOK-NSHDSACASA-N 0 3 276.336 1.754 40 0 CDABHN COCCN1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccs1 ZINC000096245823 358725536 /nfs/dbraw/zinc/72/55/36/358725536.db2.gz JDSSYNAJXPJAGA-STQMWFEESA-N 0 3 280.393 1.570 40 0 CDABHN O=C(c1ccco1)N1CC[C@H]2CN(C[C@@H]3CCOC3)C[C@H]21 ZINC000096246058 358725917 /nfs/dbraw/zinc/72/59/17/358725917.db2.gz YDUSOOHFWLWEON-MELADBBJSA-N 0 3 290.363 1.462 40 0 CDABHN CC(=O)N1CCO[C@H]2CCN(Cc3ccc[nH]3)CC[C@@H]21 ZINC000096249490 358726883 /nfs/dbraw/zinc/72/68/83/358726883.db2.gz JEBNGVPJHDYRET-GJZGRUSLSA-N 0 3 277.368 1.226 40 0 CDABHN c1cnn(Cc2nnn3c2CN(CC2CC2)CCC3)c1 ZINC000096259534 358728948 /nfs/dbraw/zinc/72/89/48/358728948.db2.gz WOSSPOHAPNEUDM-UHFFFAOYSA-N 0 3 272.356 1.139 40 0 CDABHN COc1ccccc1CN1CCC(C(=O)N(C)OC)CC1 ZINC000013999908 366506419 /nfs/dbraw/zinc/50/64/19/366506419.db2.gz RAGQZLBXYBQKSV-UHFFFAOYSA-N 0 3 292.379 1.927 40 0 CDABHN COCCN1CCC(NC(=O)c2cccs2)CC1 ZINC000049138621 373981695 /nfs/dbraw/zinc/98/16/95/373981695.db2.gz YKHWMINTNFAJCT-UHFFFAOYSA-N 0 3 268.382 1.589 40 0 CDABHN O=C(C1CCN(C[C@@H]2CO2)CC1)N1CCCCC1 ZINC000095097806 374871471 /nfs/dbraw/zinc/87/14/71/374871471.db2.gz XVLCKLGCKPVKHP-CYBMUJFWSA-N 0 3 252.358 1.110 40 0 CDABHN Cc1cccc(N2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 ZINC000306138571 374970337 /nfs/dbraw/zinc/97/03/37/374970337.db2.gz SAYGZLGRSMOSSE-JKSUJKDBSA-N 0 3 297.406 1.977 40 0 CDABHN CCN(CC)CCNCc1cnn(CC(C)C)c1 ZINC000256052730 190004095 /nfs/dbraw/zinc/00/40/95/190004095.db2.gz OKPNBPFTVIGMGK-UHFFFAOYSA-N 0 3 252.406 1.971 40 0 CDABHN O=C(/C=C/c1cccs1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257249429 190020331 /nfs/dbraw/zinc/02/03/31/190020331.db2.gz JIHLWRHLHAWKQK-QAMKJQMISA-N 0 3 292.404 1.429 40 0 CDABHN NCC1(S(=O)(=O)c2cccs2)CCOCC1 ZINC000217932368 375764379 /nfs/dbraw/zinc/76/43/79/375764379.db2.gz LDAQSRMBLOVXCE-UHFFFAOYSA-N 0 3 261.368 1.030 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccccc2)[C@@]1(CN)COC ZINC000218025592 375779391 /nfs/dbraw/zinc/77/93/91/375779391.db2.gz CPXWCVFFZLXJNZ-BFHYXJOUSA-N 0 3 283.393 1.179 40 0 CDABHN Cc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1 ZINC000096296263 256793009 /nfs/dbraw/zinc/79/30/09/256793009.db2.gz BILXLBUJMWGCKV-AWEZNQCLSA-N 0 3 257.337 1.880 40 0 biogenic,in-vitro CDABHN CC(C)N(C(=O)CN)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404235 390421548 /nfs/dbraw/zinc/42/15/48/390421548.db2.gz NMKRVFOOXZLMGU-HNNXBMFYSA-N 0 3 275.396 1.457 40 0 CDABHN c1cnc(N2CCC3(CN(C[C@H]4CCOC4)C3)C2)nc1 ZINC000096070843 398069611 /nfs/dbraw/zinc/06/96/11/398069611.db2.gz LTLBKVHSKUGBQP-CYBMUJFWSA-N 0 3 274.368 1.025 40 0 CDABHN CC[C@H]1CCCCN1C(=O)CNC[C@H]1CCCO1 ZINC000004969109 170046820 /nfs/dbraw/zinc/04/68/20/170046820.db2.gz DQBYUQAIMHCDPL-QWHCGFSZSA-N 0 3 254.374 1.546 40 0 CDABHN COc1ccccc1[C@@H](CN)N1C[C@H](C)O[C@@H](C)C1 ZINC000022218022 171376145 /nfs/dbraw/zinc/37/61/45/171376145.db2.gz VYATYFLJNUSCQT-SGMGOOAPSA-N 0 3 264.369 1.804 40 0 CDABHN COc1ccccc1[C@H](CN)N1C[C@H](C)O[C@@H](C)C1 ZINC000022218025 171376180 /nfs/dbraw/zinc/37/61/80/171376180.db2.gz VYATYFLJNUSCQT-OBJOEFQTSA-N 0 3 264.369 1.804 40 0 CDABHN Cc1c[nH]nc1[C@@H]1CCCN1C(=O)C1CCN(C)CC1 ZINC000072364560 176379360 /nfs/dbraw/zinc/37/93/60/176379360.db2.gz FXRPSZBHCRPICW-ZDUSSCGKSA-N 0 3 276.384 1.723 40 0 CDABHN c1cc([C@H]2CCCCN2)nc(Nc2cncnc2)n1 ZINC000072376748 176385284 /nfs/dbraw/zinc/38/52/84/176385284.db2.gz PJWHWYXNISAFRW-LLVKDONJSA-N 0 3 256.313 1.825 40 0 CDABHN CCn1nc(C)c(CNCC2(O)CCOCC2)c1C ZINC000078552506 177353436 /nfs/dbraw/zinc/35/34/36/177353436.db2.gz GJFIUMKCNWGCGY-UHFFFAOYSA-N 0 3 267.373 1.151 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242750362 261271213 /nfs/dbraw/zinc/27/12/13/261271213.db2.gz ZNPRGXOEYHPPBT-DCAQKATOSA-N 0 3 285.388 1.286 40 0 CDABHN CCN(CC)CC(=O)N1CCOC[C@H]1c1ccccc1 ZINC000074192118 276094002 /nfs/dbraw/zinc/09/40/02/276094002.db2.gz CHAWOHXHWYAVAW-HNNXBMFYSA-N 0 3 276.380 1.928 40 0 CDABHN CC(=O)N(C(C)C)C1CCC(NC(=O)[C@H](C)N)CC1 ZINC000079417730 277956375 /nfs/dbraw/zinc/95/63/75/277956375.db2.gz LEKOSKZRJNYYDN-PKSQDBQZSA-N 0 3 269.389 1.018 40 0 CDABHN Cc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)o1 ZINC000096053989 280822628 /nfs/dbraw/zinc/82/26/28/280822628.db2.gz UXVKNOXADYTQTN-KBPBESRZSA-N 0 3 284.363 1.946 40 0 CDABHN CCCCc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260753118 328063710 /nfs/dbraw/zinc/06/37/10/328063710.db2.gz BLADWLJRGIUHHS-CQSZACIVSA-N 0 3 282.409 1.896 40 0 CDABHN CCOC[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025869 333125786 /nfs/dbraw/zinc/12/57/86/333125786.db2.gz BLWJLKXJNKQTKR-QLFBSQMISA-N 0 3 297.420 1.569 40 0 CDABHN N[C@H](CC(=O)NCc1ccccn1)c1ccccc1 ZINC000019517634 527384087 /nfs/dbraw/zinc/38/40/87/527384087.db2.gz ZCFYNXFCLMTZHI-CQSZACIVSA-N 0 3 255.321 1.788 40 0 CDABHN NCc1cc(Br)cnc1OC(F)F ZINC001504244964 906834214 /nfs/dbraw/zinc/83/42/14/906834214.db2.gz MTUQWJDHWWVLIE-UHFFFAOYSA-N 0 3 253.046 1.904 40 0 CDABHN C[C@@](CN)(c1ccccc1Cl)N1CCOCC1 ZINC000070453422 361972218 /nfs/dbraw/zinc/97/22/18/361972218.db2.gz HNOKTLCBMYJQAW-CYBMUJFWSA-N 0 3 254.761 1.846 40 0 CDABHN Cc1cc(N2C(=O)OCC2(C)C)nc([C@@H]2CCCN2)n1 ZINC000585178812 342232608 /nfs/dbraw/zinc/23/26/08/342232608.db2.gz URKAMPBCHPLPOS-JTQLQIEISA-N 0 3 276.340 1.945 40 0 CDABHN CCCN1CCO[C@@H]2[C@@H](CNC(=O)c3ccco3)CC[C@H]21 ZINC000247972659 362142685 /nfs/dbraw/zinc/14/26/85/362142685.db2.gz DPKWKMFMBGRXIX-UMVBOHGHSA-N 0 3 292.379 1.899 40 0 CDABHN CN(C)CC(CN(C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000001590727 355940818 /nfs/dbraw/zinc/94/08/18/355940818.db2.gz WCCUTVPZEIWMAM-UHFFFAOYSA-N 0 3 278.352 1.337 40 0 CDABHN Cc1n[nH]c(C)c1CN[C@@H](CO)Cc1ccccc1 ZINC000063218606 363495073 /nfs/dbraw/zinc/49/50/73/363495073.db2.gz AWFGGUJHWXBGEQ-CQSZACIVSA-N 0 3 259.353 1.720 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391232 356988372 /nfs/dbraw/zinc/98/83/72/356988372.db2.gz WHQRBQCOCLVTFU-RYUDHWBXSA-N 0 3 299.415 1.439 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079418028 356994876 /nfs/dbraw/zinc/99/48/76/356994876.db2.gz GYOZRIFCHFODJR-KBPBESRZSA-N 0 3 283.416 1.218 40 0 CDABHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000058040584 357375127 /nfs/dbraw/zinc/37/51/27/357375127.db2.gz BQKYUIMZWPVGFZ-GFCCVEGCSA-N 0 3 297.399 1.208 40 0 CDABHN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1 ZINC000082334612 358160655 /nfs/dbraw/zinc/16/06/55/358160655.db2.gz RPFCXONKHBFPJG-GFCCVEGCSA-N 0 3 276.336 1.754 40 0 CDABHN CC(C)N1C[C@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186020 358714341 /nfs/dbraw/zinc/71/43/41/358714341.db2.gz QREBMZCTYUAFMH-HRCADAONSA-N 0 3 290.411 1.549 40 0 CDABHN Cc1cccc(CN2CCC3(CC2)OCC(=O)N[C@@H]3C)n1 ZINC000096201483 358718322 /nfs/dbraw/zinc/71/83/22/358718322.db2.gz XNTSWPSPSMLPGF-CYBMUJFWSA-N 0 3 289.379 1.260 40 0 CDABHN Fc1cccnc1OC[C@H]1CNCc2cncn2C1 ZINC000096217692 358722383 /nfs/dbraw/zinc/72/23/83/358722383.db2.gz DJNFIHVQPVUDCW-JTQLQIEISA-N 0 3 262.288 1.216 40 0 CDABHN COc1cc(OC)cc([C@@H](CN)N2CCCC2)c1 ZINC000019840856 359000480 /nfs/dbraw/zinc/00/04/80/359000480.db2.gz YWYNUVIYQUMADG-CQSZACIVSA-N 0 3 250.342 1.799 40 0 CDABHN CCc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222540176 359353329 /nfs/dbraw/zinc/35/33/29/359353329.db2.gz HYHHXXWOSLHMER-LBPRGKRZSA-N 0 3 254.355 1.116 40 0 CDABHN CN1CC[C@@H](N2CC[C@H](COCc3ccccc3)C2)C1=O ZINC000075864084 366906581 /nfs/dbraw/zinc/90/65/81/366906581.db2.gz PSLYIYOXMTWNHE-JKSUJKDBSA-N 0 3 288.391 1.756 40 0 CDABHN C[C@H]1CCN(CCOCC(F)(F)C(F)F)C[C@@H]1O ZINC000225547819 375163346 /nfs/dbraw/zinc/16/33/46/375163346.db2.gz YKKISIMIPRCSNO-IUCAKERBSA-N 0 3 273.270 1.606 40 0 CDABHN COC(=O)[C@H](C)N1CCN(C2CCCCC2)CC1 ZINC000163013277 375583625 /nfs/dbraw/zinc/58/36/25/375583625.db2.gz NQIJXBNGELNCOI-LBPRGKRZSA-N 0 3 254.374 1.498 40 0 CDABHN Cc1nn(C2CCCC2)cc1CNCCN(C)C ZINC000256050855 190003102 /nfs/dbraw/zinc/00/31/02/190003102.db2.gz GSSZYQKOADIBCL-UHFFFAOYSA-N 0 3 250.390 1.958 40 0 CDABHN Cc1cncc([C@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257293469 190028230 /nfs/dbraw/zinc/02/82/30/190028230.db2.gz QPNRYZFYPDDEMP-CQSZACIVSA-N 0 3 277.368 1.463 40 0 CDABHN Cc1c[nH]c([C@H]2CCCN(Cc3cnn(C)c3)C2)n1 ZINC000257328606 190034716 /nfs/dbraw/zinc/03/47/16/190034716.db2.gz XGKFOGOBGFJWJK-ZDUSSCGKSA-N 0 3 259.357 1.831 40 0 CDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cncnc1)C2 ZINC000257337785 190036633 /nfs/dbraw/zinc/03/66/33/190036633.db2.gz YUIVLLKGDFPUEQ-AYDFFVQHSA-N 0 3 286.379 1.564 40 0 CDABHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307052 376911534 /nfs/dbraw/zinc/91/15/34/376911534.db2.gz GGYBGZJRKJKPAE-VXGBXAGGSA-N 0 3 290.354 1.385 40 0 CDABHN O=C1NCC2(CCN(CCc3cccc(O)c3)CC2)O1 ZINC000065742892 184569316 /nfs/dbraw/zinc/56/93/16/184569316.db2.gz MLTTZGCVKGAGRL-UHFFFAOYSA-N 0 3 276.336 1.509 40 0 in-vitro CDABHN CN1C(=O)C(c2ccc(F)cc2)=N[C@@]12CCCNC2 ZINC000096516442 390534255 /nfs/dbraw/zinc/53/42/55/390534255.db2.gz SUBVPEQORWRIDO-AWEZNQCLSA-N 0 3 261.300 1.167 40 0 CDABHN Cc1cc(N2CCOCC2)ncc1[C@H]1CCCN1C ZINC000072219386 390623184 /nfs/dbraw/zinc/62/31/84/390623184.db2.gz TYMFWOZFOGWORG-CQSZACIVSA-N 0 3 261.369 1.993 40 0 CDABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@H](C)O ZINC000072224751 390624686 /nfs/dbraw/zinc/62/46/86/390624686.db2.gz PTXDVBJMZHVSKF-ZDUSSCGKSA-N 0 3 263.385 1.974 40 0 CDABHN CN(C)C(=O)CCc1cccc([C@H]2CCCN2C)n1 ZINC000072382833 390627921 /nfs/dbraw/zinc/62/79/21/390627921.db2.gz PEVVCNZKFSDSSE-CQSZACIVSA-N 0 3 261.369 1.869 40 0 CDABHN CN1CCCCC12CCN(S(=O)(=O)C1CC1)CC2 ZINC000096078146 398070337 /nfs/dbraw/zinc/07/03/37/398070337.db2.gz FJFIMJRGXRHIEV-UHFFFAOYSA-N 0 3 272.414 1.429 40 0 CDABHN C[C@@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccnc1 ZINC000174520671 147946795 /nfs/dbraw/zinc/94/67/95/147946795.db2.gz BSHIXJITHRYPSC-UKRRQHHQSA-N 0 3 273.380 1.882 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000040464151 286672301 /nfs/dbraw/zinc/67/23/01/286672301.db2.gz XTCINDDCXBWSAW-BDAKNGLRSA-N 0 3 284.347 1.868 40 0 CDABHN COC(=O)c1ccc(-c2ccc(CNCCO)o2)cc1 ZINC000007538795 170290278 /nfs/dbraw/zinc/29/02/78/170290278.db2.gz OWOUXKDPQMLESA-UHFFFAOYSA-N 0 3 275.304 1.815 40 0 CDABHN CCOc1ccc(CNC[C@H](C)O)cc1OCC ZINC000008324897 170331542 /nfs/dbraw/zinc/33/15/42/170331542.db2.gz JNOLGWYXRSMQTC-NSHDSACASA-N 0 3 253.342 1.954 40 0 CDABHN O=c1cc(-c2ccncc2)nc([C@H]2CCC[NH2+]C2)[n-]1 ZINC000019405554 170786519 /nfs/dbraw/zinc/78/65/19/170786519.db2.gz KBNXBPIHYRJYKI-NSHDSACASA-N 0 3 256.309 1.299 40 0 CDABHN CC(=O)NCC[C@@H]1CCCN(Cc2ccncc2)C1 ZINC000072367949 176382713 /nfs/dbraw/zinc/38/27/13/176382713.db2.gz GKSVRZNGHSEMPP-AWEZNQCLSA-N 0 3 261.369 1.820 40 0 CDABHN CN(C)CCN1CCO[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096054295 185075495 /nfs/dbraw/zinc/07/54/95/185075495.db2.gz MMBYQDWSLKKMPI-CABCVRRESA-N 0 3 295.452 1.195 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)CNC(=O)CO3)o1 ZINC000096062124 185083209 /nfs/dbraw/zinc/08/32/09/185083209.db2.gz QKWIUYFALFFMEM-UHFFFAOYSA-N 0 3 264.325 1.069 40 0 CDABHN CCOC[C@H]1CN(C)C2(CN(Cc3cc(C)n[nH]3)C2)C1 ZINC000585093786 342211445 /nfs/dbraw/zinc/21/14/45/342211445.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 0 3 278.400 1.261 40 0 CDABHN CCOC[C@H]1CN(C)C2(CN(Cc3cc(C)[nH]n3)C2)C1 ZINC000585093786 342211446 /nfs/dbraw/zinc/21/14/46/342211446.db2.gz GAEXAZQIRSZKHK-CYBMUJFWSA-N 0 3 278.400 1.261 40 0 CDABHN CNC(=O)C1=NO[C@]2(C1)CCCN(CCC(C)C)C2 ZINC000585101309 342212368 /nfs/dbraw/zinc/21/23/68/342212368.db2.gz XGVHRRYUXMAHHM-AWEZNQCLSA-N 0 3 267.373 1.389 40 0 CDABHN CN1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104455 342212933 /nfs/dbraw/zinc/21/29/33/342212933.db2.gz NLYTUGOKDGZWFN-INIZCTEOSA-N 0 3 274.364 1.367 40 0 CDABHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@@H](O)CC1CCCC1 ZINC000332939355 539050266 /nfs/dbraw/zinc/05/02/66/539050266.db2.gz JIOGUHRGESVFDD-RDBSUJKOSA-N 0 3 266.385 1.281 40 0 CDABHN CCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1ccc2c(c1)OCO2 ZINC000107198268 186162670 /nfs/dbraw/zinc/16/26/70/186162670.db2.gz AVVLUNUVVMBFJA-QWHCGFSZSA-N 0 3 288.347 1.610 40 0 CDABHN CCN1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccc(C)n1 ZINC000107799898 186191875 /nfs/dbraw/zinc/19/18/75/186191875.db2.gz MXOBEFGLJUQCRZ-KBPBESRZSA-N 0 3 259.353 1.585 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccncc1)C2 ZINC000108530012 186222104 /nfs/dbraw/zinc/22/21/04/186222104.db2.gz CJJZFCXGSMEJIR-GDBMZVCRSA-N 0 3 273.380 1.820 40 0 CDABHN O=C1CC2(CN1)CCN(Cc1ccc3c(c1)CCO3)CC2 ZINC000108534569 186222513 /nfs/dbraw/zinc/22/25/13/186222513.db2.gz FIJURJVOWZONFE-UHFFFAOYSA-N 0 3 286.375 1.724 40 0 CDABHN Nc1nccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000034781657 356820218 /nfs/dbraw/zinc/82/02/18/356820218.db2.gz HXXUUGWMGQZJTR-GFCCVEGCSA-N 0 3 255.325 1.210 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000040833700 356874140 /nfs/dbraw/zinc/87/41/40/356874140.db2.gz KICCXACORHAAQH-RISCZKNCSA-N 0 3 278.352 1.268 40 0 CDABHN CC(C)N(CCO)Cc1cccc2c1OCCO2 ZINC000079421372 356996273 /nfs/dbraw/zinc/99/62/73/356996273.db2.gz CKMIDFCXROKNGF-UHFFFAOYSA-N 0 3 251.326 1.661 40 0 CDABHN Cc1cccnc1NC(=S)NC1CCN(C)CC1 ZINC000063145212 357508321 /nfs/dbraw/zinc/50/83/21/357508321.db2.gz KTHLJBFUYVTUTK-UHFFFAOYSA-N 0 3 264.398 1.771 40 0 CDABHN O=c1cc2c(nn1Cc1cccc(F)c1)CCNC2 ZINC000063169727 358569670 /nfs/dbraw/zinc/56/96/70/358569670.db2.gz NBURKWXGZJDTAU-UHFFFAOYSA-N 0 3 259.284 1.076 40 0 CDABHN O=C(C1CC=CC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161642 358711123 /nfs/dbraw/zinc/71/11/23/358711123.db2.gz ORKDBDBIKUFWMU-IYBDPMFKSA-N 0 3 297.402 1.938 40 0 CDABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251879 358728003 /nfs/dbraw/zinc/72/80/03/358728003.db2.gz XMCNVKJEWLXUPV-DLBZAZTESA-N 0 3 288.391 1.243 40 0 CDABHN CC[C@@H](c1ccccc1)N1CCN(CCC(=O)NC)CC1 ZINC000075862764 366906668 /nfs/dbraw/zinc/90/66/68/366906668.db2.gz JHNFSKAJUBXRCW-INIZCTEOSA-N 0 3 289.423 1.891 40 0 CDABHN CCn1ncc2c1CNC[C@@H]2COc1cccnc1 ZINC000306130966 367315031 /nfs/dbraw/zinc/31/50/31/367315031.db2.gz JTPPUVMYCSWGPH-LLVKDONJSA-N 0 3 258.325 1.564 40 0 CDABHN C[C@@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1cccnc1 ZINC000174520647 372597963 /nfs/dbraw/zinc/59/79/63/372597963.db2.gz BSHIXJITHRYPSC-HIFRSBDPSA-N 0 3 273.380 1.882 40 0 CDABHN CCOc1ccccc1[C@@H](CN)N1CCOCC1 ZINC000019796159 375490043 /nfs/dbraw/zinc/49/00/43/375490043.db2.gz PMYITPIUQZNTRP-CYBMUJFWSA-N 0 3 250.342 1.417 40 0 CDABHN COCCCNCc1cc(C(F)(F)F)nn1C ZINC000256049776 190002617 /nfs/dbraw/zinc/00/26/17/190002617.db2.gz BJWGQXDPCSMFPQ-UHFFFAOYSA-N 0 3 251.252 1.565 40 0 CDABHN Cc1ccc(CN2CC[C@H](O)[C@@H](n3ccnc3)CC2)cn1 ZINC000257199899 190010592 /nfs/dbraw/zinc/01/05/92/190010592.db2.gz ABEOXJVZJMZGFB-HOTGVXAUSA-N 0 3 286.379 1.785 40 0 CDABHN O=C(CN1CCNC[C@@H]1c1ccccc1)N1CCCC1 ZINC000257213470 190012915 /nfs/dbraw/zinc/01/29/15/190012915.db2.gz CHSCYKQVYPJYTO-OAHLLOKOSA-N 0 3 273.380 1.255 40 0 CDABHN Cc1nc(C[C@@H]2CCCN(C)C2)cc(C(=O)N(C)C)n1 ZINC000257237000 190017856 /nfs/dbraw/zinc/01/78/56/190017856.db2.gz HETYUPFYTAFZKH-LBPRGKRZSA-N 0 3 276.384 1.371 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000257302796 190030538 /nfs/dbraw/zinc/03/05/38/190030538.db2.gz SELRVEDNSBAAST-KXPUMZMLSA-N 0 3 292.354 1.364 40 0 CDABHN Cn1cc(C(=O)Nc2ccc3c(c2)CNCC3)cn1 ZINC000069052726 377791033 /nfs/dbraw/zinc/79/10/33/377791033.db2.gz JKFGIHXYXGVMNF-UHFFFAOYSA-N 0 3 256.309 1.318 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000036101352 390480207 /nfs/dbraw/zinc/48/02/07/390480207.db2.gz SVLWYWYUBOCXDQ-BZPMIXESSA-N 0 3 294.395 1.813 40 0 CDABHN CC(C)Oc1ncc([C@@H](CN)N2CCCCC2)cn1 ZINC000096511160 390530480 /nfs/dbraw/zinc/53/04/80/390530480.db2.gz YAVUVVFAVKLTPI-CYBMUJFWSA-N 0 3 264.373 1.750 40 0 CDABHN CN1CCN(c2ncccc2[C@H]2CCCCN2)CC1 ZINC000072216595 390621996 /nfs/dbraw/zinc/62/19/96/390621996.db2.gz ZFNFZKBQZGLDCL-CQSZACIVSA-N 0 3 260.385 1.648 40 0 CDABHN CCN1CCc2nc(NC[C@@H]3CCCO3)ncc2C1 ZINC000072415045 176399304 /nfs/dbraw/zinc/39/93/04/176399304.db2.gz FCNIFPRVILNZLP-LBPRGKRZSA-N 0 3 262.357 1.446 40 0 CDABHN Cc1cn(C)c([C@H]2CN(C3CCN(C)CC3)CCO2)n1 ZINC000257327619 274822981 /nfs/dbraw/zinc/82/29/81/274822981.db2.gz XCBANDSTHPJNOF-CQSZACIVSA-N 0 3 278.400 1.196 40 0 CDABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCC1)C2 ZINC000225493729 281137040 /nfs/dbraw/zinc/13/70/40/281137040.db2.gz URFCTOLFWWXTCX-HNNXBMFYSA-N 0 3 275.396 1.945 40 0 biogenic,in-vitro CDABHN N=C1Nc2nc3c(n2[C@H](c2ccccc2)N1)CCC3 ZINC000040175503 295210562 /nfs/dbraw/zinc/21/05/62/295210562.db2.gz FNEORSLASDQVCQ-GFCCVEGCSA-N 0 3 253.309 1.468 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000157541941 323212849 /nfs/dbraw/zinc/21/28/49/323212849.db2.gz MGOMLAYRMWRZHZ-NSHDSACASA-N 0 3 272.414 1.238 40 0 CDABHN CCOCCCNC(=O)C[C@@H](N)c1ccccc1 ZINC000019482769 521711110 /nfs/dbraw/zinc/71/11/10/521711110.db2.gz OWFUZIYJXLRVAY-CYBMUJFWSA-N 0 3 250.342 1.619 40 0 CDABHN C[C@]1(NC[C@@H]2CCC(=O)N2)CCOc2ccccc21 ZINC000933370490 617403115 /nfs/dbraw/zinc/40/31/15/617403115.db2.gz LUVRALQCQKMPKI-NHYWBVRUSA-N 0 3 260.337 1.553 40 0 CDABHN Cc1ncncc1[C@@H](C)NCCN1CCCOCC1 ZINC000903226914 625908811 /nfs/dbraw/zinc/90/88/11/625908811.db2.gz JBGUNBADBADDOL-GFCCVEGCSA-N 0 3 264.373 1.158 40 0 CDABHN Cc1ncncc1[C@H](C)NCCN1CCCOCC1 ZINC000903226915 625909825 /nfs/dbraw/zinc/90/98/25/625909825.db2.gz JBGUNBADBADDOL-LBPRGKRZSA-N 0 3 264.373 1.158 40 0 CDABHN COc1cc(N[C@@H](C)C[C@@H]2COCCN2)cc(OC)c1 ZINC000133343119 737601524 /nfs/dbraw/zinc/60/15/24/737601524.db2.gz YDPUHAPWLCWAIY-WCQYABFASA-N 0 3 280.368 1.883 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1cccc(C)n1)C2 ZINC000096108625 185100397 /nfs/dbraw/zinc/10/03/97/185100397.db2.gz GHAWKJWQSFZKIP-UKRRQHHQSA-N 0 3 262.353 1.485 40 0 CDABHN CN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104457 342212893 /nfs/dbraw/zinc/21/28/93/342212893.db2.gz NLYTUGOKDGZWFN-MRXNPFEDSA-N 0 3 274.364 1.367 40 0 CDABHN Cc1n[nH]cc1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000585180214 342232561 /nfs/dbraw/zinc/23/25/61/342232561.db2.gz FZARQOQNABVXTP-LLVKDONJSA-N 0 3 257.341 1.984 40 0 CDABHN CC1CCC(N2CCN(CCOC(=O)N(C)C)CC2)CC1 ZINC000158584210 342291612 /nfs/dbraw/zinc/29/16/12/342291612.db2.gz WQOGLOYQFJXMKV-UHFFFAOYSA-N 0 3 297.443 1.881 40 0 CDABHN Cc1nn(C)cc1CN[C@@H]1CCCN(c2ncccn2)C1 ZINC000148888510 136393407 /nfs/dbraw/zinc/39/34/07/136393407.db2.gz RGXJXCLVROWLNL-CQSZACIVSA-N 0 3 286.383 1.277 40 0 CDABHN Cc1cc(-c2cnc(C3CCN(C)CC3)cn2)n[nH]1 ZINC000257241805 362579627 /nfs/dbraw/zinc/57/96/27/362579627.db2.gz HZQWIKBILOQBJC-UHFFFAOYSA-N 0 3 257.341 1.984 40 0 CDABHN CN(C)C[C@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O ZINC000085435918 179062417 /nfs/dbraw/zinc/06/24/17/179062417.db2.gz WNRVKIANMQWONF-MELADBBJSA-N 0 3 296.411 1.985 40 0 biogenic,in-vitro CDABHN CNC(=O)[C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524171 186220440 /nfs/dbraw/zinc/22/04/40/186220440.db2.gz LAWRKNUMIKNFHT-QJPTWQEYSA-N 0 3 266.366 1.083 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cnc(C)nc1)C2 ZINC000108535582 186221754 /nfs/dbraw/zinc/22/17/54/186221754.db2.gz WLDHZKNCVXTDRC-GDBMZVCRSA-N 0 3 288.395 1.523 40 0 CDABHN CN(C)CC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000158241382 188365521 /nfs/dbraw/zinc/36/55/21/188365521.db2.gz GNSAWOXWFUBNOK-KRWDZBQOSA-N 0 3 289.423 1.719 40 0 CDABHN NCc1cn(-c2ccc(I)cc2)cn1 ZINC000095094117 366116720 /nfs/dbraw/zinc/11/67/20/366116720.db2.gz KFXXLKJIIYCXFB-UHFFFAOYSA-N 0 3 299.115 1.936 40 0 CDABHN CCN(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404204 356989410 /nfs/dbraw/zinc/98/94/10/356989410.db2.gz CBZPZNLXYFLTGC-HNNXBMFYSA-N 0 3 275.396 1.458 40 0 CDABHN CSc1nccnc1CN(C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079435740 356996406 /nfs/dbraw/zinc/99/64/06/356996406.db2.gz FNIBWPZSNNOEFR-LBPRGKRZSA-N 0 3 296.440 1.919 40 0 CDABHN COc1ccccc1CNC(=O)C1CCN(C)CC1 ZINC000074707329 357922510 /nfs/dbraw/zinc/92/25/10/357922510.db2.gz HMWHIEOEMZBBSR-UHFFFAOYSA-N 0 3 262.353 1.653 40 0 CDABHN O=c1cc2c(nn1Cc1ccc(F)cc1)CCNC2 ZINC000063169737 358569878 /nfs/dbraw/zinc/56/98/78/358569878.db2.gz RBDHNKSJLLVDSA-UHFFFAOYSA-N 0 3 259.284 1.076 40 0 CDABHN c1nc2c(c([C@H]3CCOC3)n1)CCN(CC1CC1)CC2 ZINC000096058682 358707260 /nfs/dbraw/zinc/70/72/60/358707260.db2.gz FDAXZDOFNSLEFE-ZDUSSCGKSA-N 0 3 273.380 1.791 40 0 CDABHN c1cnc(N2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000096063764 358707273 /nfs/dbraw/zinc/70/72/73/358707273.db2.gz BVMRHUPKALXXTB-DZGCQCFKSA-N 0 3 297.362 1.214 40 0 CDABHN c1cnc(N2C[C@H]3CN(Cc4ccncc4)C[C@@H]3C2)nc1 ZINC000096110661 358708251 /nfs/dbraw/zinc/70/82/51/358708251.db2.gz SYONVFYXOKCHRI-HUUCEWRRSA-N 0 3 281.363 1.440 40 0 CDABHN Cc1nnn2c1COC[C@@H](CNCc1ccoc1)C2 ZINC000096199305 358717479 /nfs/dbraw/zinc/71/74/79/358717479.db2.gz YGLGQFHHAYSJTE-LBPRGKRZSA-N 0 3 262.313 1.116 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249558 358726912 /nfs/dbraw/zinc/72/69/12/358726912.db2.gz QRMATVHWDMZPJN-ZIAGYGMSSA-N 0 3 294.420 1.470 40 0 CDABHN CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC000096258999 358728898 /nfs/dbraw/zinc/72/88/98/358728898.db2.gz CGHQJDAXEFYQQI-UHFFFAOYSA-N 0 3 259.313 1.088 40 0 CDABHN COc1cc(OC)cc([C@H](CN)N2CCOCC2)c1 ZINC000019840866 358995096 /nfs/dbraw/zinc/99/50/96/358995096.db2.gz ILVIJSKSXJSYMY-AWEZNQCLSA-N 0 3 266.341 1.036 40 0 CDABHN COc1cccc(OC)c1OC[C@@H](O)CN1CCCCC1 ZINC000000166973 364091442 /nfs/dbraw/zinc/09/14/42/364091442.db2.gz RRVVQGHHKMQNRC-ZDUSSCGKSA-N 0 3 295.379 1.929 40 0 CDABHN COCc1noc([C@H](C)N2CCN(C3CC3)C[C@@H](C)C2)n1 ZINC000333449453 205330904 /nfs/dbraw/zinc/33/09/04/205330904.db2.gz RKEPFNQLFHPMRT-RYUDHWBXSA-N 0 3 294.399 1.693 40 0 CDABHN COC[C@@H]1CCN(C)C2(CN(Cc3cccc(C)n3)C2)C1 ZINC000306141769 374971710 /nfs/dbraw/zinc/97/17/10/374971710.db2.gz WFZJCHNYGFRGJE-OAHLLOKOSA-N 0 3 289.423 1.933 40 0 CDABHN CCOC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218025793 375778988 /nfs/dbraw/zinc/77/89/88/375778988.db2.gz BLWJLKXJNKQTKR-ILXRZTDVSA-N 0 3 297.420 1.569 40 0 CDABHN CNc1cccc([C@@H]2CN(Cc3cn[nH]c3C)CCO2)n1 ZINC000257280419 190025425 /nfs/dbraw/zinc/02/54/25/190025425.db2.gz OKTMBDMLXNHYAH-AWEZNQCLSA-N 0 3 287.367 1.728 40 0 CDABHN O=C(c1cccc(Cl)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257288160 190027058 /nfs/dbraw/zinc/02/70/58/190027058.db2.gz PTCSRIKWIVOFEN-ZIAGYGMSSA-N 0 3 294.782 1.621 40 0 CDABHN COC[C@@H]1CN(C)CCN(C(=O)CCc2ccccc2)C1 ZINC000257273315 190024722 /nfs/dbraw/zinc/02/47/22/190024722.db2.gz NGBXNJDOWDSVTF-MRXNPFEDSA-N 0 3 290.407 1.656 40 0 CDABHN CNC(=O)[C@H]1CN(C)CCN(Cc2cccc(F)c2F)C1 ZINC000257275245 190024880 /nfs/dbraw/zinc/02/48/80/190024880.db2.gz NOMXRRLHKJXWDF-LBPRGKRZSA-N 0 3 297.349 1.074 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000257291457 190027837 /nfs/dbraw/zinc/02/78/37/190027837.db2.gz QHAMHZNRIKNEMU-QGZVFWFLSA-N 0 3 288.391 1.314 40 0 CDABHN CC(=O)N[C@H]1CCN(Cc2cccs2)CC[C@@H]1O ZINC000257294047 190028271 /nfs/dbraw/zinc/02/82/71/190028271.db2.gz QSFKNTNGWDRUBW-STQMWFEESA-N 0 3 268.382 1.210 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2ccn(C)n2)cc1 ZINC000257306386 190031051 /nfs/dbraw/zinc/03/10/51/190031051.db2.gz SUCNUSOQNZIYFZ-MRXNPFEDSA-N 0 3 286.379 1.575 40 0 CDABHN c1cnc([N-]c2cnc([C@@H]3CCC[NH2+]C3)cn2)nc1 ZINC000257337342 190035978 /nfs/dbraw/zinc/03/59/78/190035978.db2.gz YSKVWCXJPBQTMB-SNVBAGLBSA-N 0 3 256.313 1.477 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(C(=O)c3ccco3)C[C@@H]2O1 ZINC000096251652 256834836 /nfs/dbraw/zinc/83/48/36/256834836.db2.gz SHYNBQQCQDETRZ-WZRBSPASSA-N 0 3 264.325 1.071 40 0 CDABHN CC(C)OC(=O)[C@@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C ZINC000096510336 390530675 /nfs/dbraw/zinc/53/06/75/390530675.db2.gz GXNVKSKNYMQVPW-MNOVXSKESA-N 0 3 286.372 1.441 40 0 CDABHN COc1ccc(C2=N[C@]3(CCCNC3)N(C)C2=O)cc1 ZINC000096516449 390534659 /nfs/dbraw/zinc/53/46/59/390534659.db2.gz MRFGIWWKQUEAPC-OAHLLOKOSA-N 0 3 273.336 1.036 40 0 CDABHN COc1ccc(C[C@H](C)NC(=O)C(C)(C)N)cc1OC ZINC000262448061 131221187 /nfs/dbraw/zinc/22/11/87/131221187.db2.gz DMGDIOVHOYHBSV-JTQLQIEISA-N 0 3 280.368 1.488 40 0 CDABHN CN1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072354959 176374686 /nfs/dbraw/zinc/37/46/86/176374686.db2.gz INNJMRXWJUQNNF-UHFFFAOYSA-N 0 3 270.340 1.819 40 0 CDABHN O=C(NCCc1ccccc1)c1cncc([C@@H]2CCCN2)n1 ZINC000072365580 176380503 /nfs/dbraw/zinc/38/05/03/176380503.db2.gz TXMWGPNYALXTAD-AWEZNQCLSA-N 0 3 296.374 1.874 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc2nccnc2c1 ZINC000072397618 176394884 /nfs/dbraw/zinc/39/48/84/176394884.db2.gz XLNJRKVRWGASSU-NWANDNLSSA-N 0 3 298.390 1.269 40 0 CDABHN COCCN1CC[C@H](NCc2cc(F)ccc2F)C1 ZINC000078663175 177367905 /nfs/dbraw/zinc/36/79/05/177367905.db2.gz PGUOROYSLNVTFH-ZDUSSCGKSA-N 0 3 270.323 1.775 40 0 CDABHN COc1ccc2c(c1OC)OC[C@H](CN(C)C)C2=O ZINC000003594231 277998470 /nfs/dbraw/zinc/99/84/70/277998470.db2.gz RRDYAYUAHOIMFI-VIFPVBQESA-N 0 3 265.309 1.457 40 0 CDABHN CCCNc1ncc(CNCCCN2CCCC2=O)cn1 ZINC000062717726 333176104 /nfs/dbraw/zinc/17/61/04/333176104.db2.gz YIUBBODMWXSUHG-UHFFFAOYSA-N 0 3 291.399 1.401 40 0 CDABHN CN1CCC(C(=O)Nc2ccccc2C(N)=O)CC1 ZINC000074713383 567903693 /nfs/dbraw/zinc/90/36/93/567903693.db2.gz BJBLMCCFYYJEMU-UHFFFAOYSA-N 0 3 261.325 1.066 40 0 CDABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)ccn1 ZINC000096110688 342451685 /nfs/dbraw/zinc/45/16/85/342451685.db2.gz DABADBDWDFLXAT-IAGOWNOFSA-N 0 3 287.407 1.767 40 0 CDABHN CCN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096046744 185071613 /nfs/dbraw/zinc/07/16/13/185071613.db2.gz CCQAJPSNOMYYGZ-UHFFFAOYSA-N 0 3 273.380 1.916 40 0 CDABHN c1ccc(CO[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)nc1 ZINC000096055125 185076130 /nfs/dbraw/zinc/07/61/30/185076130.db2.gz XFZIQEZBAUMNGZ-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN COCCN1CC[C@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1=O ZINC000096054614 185076239 /nfs/dbraw/zinc/07/62/39/185076239.db2.gz ZPUXMNIQXHWOAC-ZFWWWQNUSA-N 0 3 292.379 1.515 40 0 CDABHN CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(C)o2)C1 ZINC000096057645 185077316 /nfs/dbraw/zinc/07/73/16/185077316.db2.gz DUYNMEHBHGWIIH-IACUBPJLSA-N 0 3 278.352 1.313 40 0 CDABHN CC(C)CN1CC2(C1)CCN(C(=O)c1ccncc1)C2 ZINC000096070775 185086220 /nfs/dbraw/zinc/08/62/20/185086220.db2.gz FJDPSANONPQFGS-UHFFFAOYSA-N 0 3 273.380 1.886 40 0 CDABHN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096083627 185092242 /nfs/dbraw/zinc/09/22/42/185092242.db2.gz REVPPJVSMWMVDP-QLFBSQMISA-N 0 3 287.363 1.519 40 0 CDABHN CO[C@@]1(CCC(N)=O)CCCN(Cc2ccncc2C)C1 ZINC000585277324 342256392 /nfs/dbraw/zinc/25/63/92/342256392.db2.gz UMZJZIKSZKXKSZ-MRXNPFEDSA-N 0 3 291.395 1.637 40 0 CDABHN c1csc(COC[C@@H]2CC[C@@H]3NCCO[C@@H]23)n1 ZINC000247841213 362135420 /nfs/dbraw/zinc/13/54/20/362135420.db2.gz KZPUTSPATLCNNS-NHCYSSNCSA-N 0 3 254.355 1.427 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000100177668 185706832 /nfs/dbraw/zinc/70/68/32/185706832.db2.gz LEKOSKZRJNYYDN-WCFLWFBJSA-N 0 3 269.389 1.018 40 0 CDABHN Cc1cccc(CN2CCC3(CCC(=O)NC3)CC2)n1 ZINC000108535456 186222654 /nfs/dbraw/zinc/22/26/54/186222654.db2.gz PSSWEGDDIFMZIM-UHFFFAOYSA-N 0 3 273.380 1.882 40 0 CDABHN COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](C)N)cc1 ZINC000158072629 188355914 /nfs/dbraw/zinc/35/59/14/188355914.db2.gz OJNXTMLMAPIJER-NEPJUHHUSA-N 0 3 264.369 1.679 40 0 CDABHN CC(C)N(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404240 356989992 /nfs/dbraw/zinc/98/99/92/356989992.db2.gz DTFUMUUQHRXSHW-INIZCTEOSA-N 0 3 289.423 1.847 40 0 CDABHN COc1ccccc1CNC[C@H]1COCc2c1cnn2C ZINC000096197694 358716062 /nfs/dbraw/zinc/71/60/62/358716062.db2.gz HEVOOUSYVRDCEH-ZDUSSCGKSA-N 0 3 287.363 1.832 40 0 CDABHN COCCN1CC[C@@]2(C[C@H](Oc3ccccc3)CO2)C1 ZINC000096218488 358722329 /nfs/dbraw/zinc/72/23/29/358722329.db2.gz BARYWAMDNKJXDT-JKSUJKDBSA-N 0 3 277.364 1.945 40 0 CDABHN CCN1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253445 358727427 /nfs/dbraw/zinc/72/74/27/358727427.db2.gz AGECJHOCFMXKCW-QLFBSQMISA-N 0 3 274.364 1.412 40 0 CDABHN Cn1cc(-c2ncnc3c2CCN([C@H]2CCOC2)CC3)cn1 ZINC000096255222 358728592 /nfs/dbraw/zinc/72/85/92/358728592.db2.gz LTNLGLGWMRLCBJ-ZDUSSCGKSA-N 0 3 299.378 1.067 40 0 CDABHN COc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1Cl ZINC000222544496 359352767 /nfs/dbraw/zinc/35/27/67/359352767.db2.gz UDRARBWWVNEJOG-VIFPVBQESA-N 0 3 290.772 1.216 40 0 CDABHN CN(C)CCNC(=S)Nc1c(F)cccc1F ZINC000225403869 359587150 /nfs/dbraw/zinc/58/71/50/359587150.db2.gz ZZYUFRHADUNTSL-UHFFFAOYSA-N 0 3 259.325 1.813 40 0 CDABHN COc1cccnc1NC(=S)NC1CCN(C)CC1 ZINC000225800632 359617311 /nfs/dbraw/zinc/61/73/11/359617311.db2.gz QXJNXHMUFKNASI-UHFFFAOYSA-N 0 3 280.397 1.471 40 0 CDABHN C[C@H](Cc1ccccc1)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000132381350 375468042 /nfs/dbraw/zinc/46/80/42/375468042.db2.gz UZYGOQULALXDEG-HIFRSBDPSA-N 0 3 296.436 1.489 40 0 CDABHN CCS(=O)(=O)C1(CN)CCN(Cc2ccccc2)CC1 ZINC000217927889 375762791 /nfs/dbraw/zinc/76/27/91/375762791.db2.gz BAANTCNEDAPEPB-UHFFFAOYSA-N 0 3 296.436 1.415 40 0 CDABHN CN1CCC[C@H](c2cnc(N3CCOC3=O)cn2)C1 ZINC000257271228 190024363 /nfs/dbraw/zinc/02/43/63/190024363.db2.gz MXKPKOLLMHJZRG-JTQLQIEISA-N 0 3 262.313 1.242 40 0 CDABHN Cc1cn(C)c([C@H]2CCN(Cc3cnccn3)C2)n1 ZINC000257306774 190031533 /nfs/dbraw/zinc/03/15/33/190031533.db2.gz SVVAPQDAFXTBEQ-LBPRGKRZSA-N 0 3 257.341 1.508 40 0 CDABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)C2(CN)CN)cc1 ZINC000218396447 375826917 /nfs/dbraw/zinc/82/69/17/375826917.db2.gz CNRMZWACIZSSRP-UONOGXRCSA-N 0 3 296.436 1.053 40 0 CDABHN Cc1ccnc([C@H]2CCN(CC3(O)CCOCC3)C2)n1 ZINC000257299135 190029588 /nfs/dbraw/zinc/02/95/88/190029588.db2.gz ROVZHXDGBVKAMS-ZDUSSCGKSA-N 0 3 277.368 1.116 40 0 CDABHN CNC(=O)[C@]1(CCCc2cnccn2)CCCN1C ZINC000257318558 190033540 /nfs/dbraw/zinc/03/35/40/190033540.db2.gz VOLJIRKAVRFYIF-AWEZNQCLSA-N 0 3 262.357 1.010 40 0 CDABHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1CCC(F)(F)C1 ZINC000331307049 376911346 /nfs/dbraw/zinc/91/13/46/376911346.db2.gz GGYBGZJRKJKPAE-NEPJUHHUSA-N 0 3 290.354 1.385 40 0 CDABHN c1nc(N2CCCC2)ncc1CNC[C@@H]1CCCO1 ZINC000062717798 262303289 /nfs/dbraw/zinc/30/32/89/262303289.db2.gz XSUSXCFBRPPSBW-ZDUSSCGKSA-N 0 3 262.357 1.345 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000409425413 390554786 /nfs/dbraw/zinc/55/47/86/390554786.db2.gz LVFGRRVZZXIYBW-NSHDSACASA-N 0 3 281.360 1.309 40 0 CDABHN CSc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717265 391569302 /nfs/dbraw/zinc/56/93/02/391569302.db2.gz IAJUXXNKERHWNK-UHFFFAOYSA-N 0 3 276.365 1.762 40 0 CDABHN CCN(CC)CCNCc1cnc(N2CCCC2)nc1 ZINC000062718491 391576549 /nfs/dbraw/zinc/57/65/49/391576549.db2.gz UTMMHCNOYHPFQQ-UHFFFAOYSA-N 0 3 277.416 1.508 40 0 CDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000242400248 392696023 /nfs/dbraw/zinc/69/60/23/392696023.db2.gz ARXKOCAAFLCZJU-RBSFLKMASA-N 0 3 297.420 1.487 40 0 CDABHN COc1ccc(C[C@H]2CN(C)CC[C@H]2O)c(OC)c1OC ZINC000252497672 392795044 /nfs/dbraw/zinc/79/50/44/392795044.db2.gz QMQMRMFUDUJKIO-QWHCGFSZSA-N 0 3 295.379 1.568 40 0 CDABHN COCCNC[C@H](O)c1cncc(Br)c1 ZINC000125143722 393018090 /nfs/dbraw/zinc/01/80/90/393018090.db2.gz CWAUOZGZCGUHCE-JTQLQIEISA-N 0 3 275.146 1.114 40 0 CDABHN CCCC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019501323 170815069 /nfs/dbraw/zinc/81/50/69/170815069.db2.gz MLBLDUBTKYNPHL-LBPRGKRZSA-N 0 3 288.395 1.628 40 0 CDABHN CC(C)(C)CNC1(Cc2cc(CCO)on2)COC1 ZINC000072321909 176369402 /nfs/dbraw/zinc/36/94/02/176369402.db2.gz HSOZFDHIYATYSV-UHFFFAOYSA-N 0 3 268.357 1.157 40 0 biogenic,in-vitro CDABHN COC[C@H]1CN(C)CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000072354439 176374693 /nfs/dbraw/zinc/37/46/93/176374693.db2.gz CGZMPQORSMZKFE-LBPRGKRZSA-N 0 3 296.798 1.990 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc(F)ccc1F ZINC000072397676 176395089 /nfs/dbraw/zinc/39/50/89/176395089.db2.gz CXRGNYDKPUQGJC-LERXQTSPSA-N 0 3 282.334 1.604 40 0 CDABHN COCc1nc(C(=O)N2CCCC[C@@H]2CN(C)C)cs1 ZINC000078455055 177343190 /nfs/dbraw/zinc/34/31/90/177343190.db2.gz GOODQLSJDODZBI-LLVKDONJSA-N 0 3 297.424 1.846 40 0 CDABHN CCCNc1ncc(CNCCCOCC)cn1 ZINC000062717686 262302410 /nfs/dbraw/zinc/30/24/10/262302410.db2.gz YDMCFUGXLLTWON-UHFFFAOYSA-N 0 3 252.362 1.815 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(c3ncc(C)cn3)C2)C1 ZINC000096229355 276204569 /nfs/dbraw/zinc/20/45/69/276204569.db2.gz AERCGQGONHWSNW-INIZCTEOSA-N 0 3 290.411 1.724 40 0 CDABHN CCS(=O)(=O)NCCN1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000230111896 280025360 /nfs/dbraw/zinc/02/53/60/280025360.db2.gz RBZCOTIIGANSMM-FRRDWIJNSA-N 0 3 274.430 1.579 40 0 CDABHN Cc1ccc2c(n1)N(Cc1cccnc1)CCNC2 ZINC000096087205 281136864 /nfs/dbraw/zinc/13/68/64/281136864.db2.gz PHZAIHYSPBNHOW-UHFFFAOYSA-N 0 3 254.337 1.895 40 0 CDABHN CN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390819 289700885 /nfs/dbraw/zinc/70/08/85/289700885.db2.gz BQCWSQLPNMBZTC-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN COC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096038979 185069051 /nfs/dbraw/zinc/06/90/51/185069051.db2.gz QDVIMXPIVJKTEN-LSDHHAIUSA-N 0 3 279.384 1.438 40 0 CDABHN Cc1noc([C@@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)n1 ZINC000096058246 185078725 /nfs/dbraw/zinc/07/87/25/185078725.db2.gz VZLLSYPDDMZIQW-RWMBFGLXSA-N 0 3 263.341 1.940 40 0 CDABHN O=S1(=O)NC[C@H]2CCN(Cc3ccccc3)CC[C@H]21 ZINC000096100449 185097630 /nfs/dbraw/zinc/09/76/30/185097630.db2.gz YZTODTHWLXHOJI-ZIAGYGMSSA-N 0 3 280.393 1.200 40 0 CDABHN CNc1ncc(CNCCc2nc3ccccc3[nH]2)cn1 ZINC000062718413 342163213 /nfs/dbraw/zinc/16/32/13/342163213.db2.gz DIGCGJQHPIZKOP-UHFFFAOYSA-N 0 3 282.351 1.727 40 0 CDABHN COCc1nnc2n1CCN(CC1CCC1)[C@@H](C)C2 ZINC000585097485 342211578 /nfs/dbraw/zinc/21/15/78/342211578.db2.gz KKNKJWKLRMBHMW-NSHDSACASA-N 0 3 264.373 1.471 40 0 CDABHN CN(C)CCN(Cc1ccncc1)C(=O)C1=CCCCO1 ZINC000073455421 342444995 /nfs/dbraw/zinc/44/49/95/342444995.db2.gz UYVPNUXOJDNSHS-UHFFFAOYSA-N 0 3 289.379 1.666 40 0 CDABHN Cc1cn(C)c([C@@H]2CN(C3CCN(C)CC3)CCO2)n1 ZINC000257327618 362587138 /nfs/dbraw/zinc/58/71/38/362587138.db2.gz XCBANDSTHPJNOF-AWEZNQCLSA-N 0 3 278.400 1.196 40 0 CDABHN C[C@H](Cc1ccccc1F)NC[C@@H]1CCCS1(=O)=O ZINC000157782764 188338420 /nfs/dbraw/zinc/33/84/20/188338420.db2.gz KGBQMIWFESCUES-YPMHNXCESA-N 0 3 285.384 1.924 40 0 CDABHN COCCC(=O)N1CCC(c2cc(CN(C)C)[nH]n2)CC1 ZINC000019708940 356497050 /nfs/dbraw/zinc/49/70/50/356497050.db2.gz GDRKULBMPQMGNC-UHFFFAOYSA-N 0 3 294.399 1.214 40 0 CDABHN CCN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404220 356989006 /nfs/dbraw/zinc/98/90/06/356989006.db2.gz FGPBFSWYEDBUFL-MRXNPFEDSA-N 0 3 289.423 1.848 40 0 CDABHN NCC(=O)N(C1CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079404283 356989963 /nfs/dbraw/zinc/98/99/63/356989963.db2.gz DTSKFXCOMNUXNM-HNNXBMFYSA-N 0 3 273.380 1.211 40 0 CDABHN CC(C)N(CC(=O)c1cccs1)C(=O)[C@H](C)N ZINC000079436318 358070246 /nfs/dbraw/zinc/07/02/46/358070246.db2.gz URUYEZVNUOSQLE-VIFPVBQESA-N 0 3 254.355 1.515 40 0 CDABHN CC(=O)N1CCC2(C[C@@H](OCCN3CCCC3)CO2)CC1 ZINC000096209575 358721057 /nfs/dbraw/zinc/72/10/57/358721057.db2.gz RYRBJTXXQRZVAR-OAHLLOKOSA-N 0 3 296.411 1.269 40 0 CDABHN CCN1CCNC(=O)C12CCN(Cc1ccc(C)o1)CC2 ZINC000096230148 358723650 /nfs/dbraw/zinc/72/36/50/358723650.db2.gz ORWNAQIVXMIYFM-UHFFFAOYSA-N 0 3 291.395 1.374 40 0 CDABHN Cc1cc(N2CCNCC2)nc(NC2CCCCC2)n1 ZINC000217507782 375660817 /nfs/dbraw/zinc/66/08/17/375660817.db2.gz CWPVCUGKAXITCX-UHFFFAOYSA-N 0 3 275.400 1.939 40 0 CDABHN Cc1nc(N2CCCCC2)cc(N2CCNCC2)n1 ZINC000217508224 375661287 /nfs/dbraw/zinc/66/12/87/375661287.db2.gz QYMBBUGQRZLDOW-UHFFFAOYSA-N 0 3 261.373 1.185 40 0 CDABHN Cc1cc(C(=O)NCc2c[nH]c([C@H]3CCN(C)C3)n2)no1 ZINC000257225610 190015186 /nfs/dbraw/zinc/01/51/86/190015186.db2.gz FGZOBJLIAXLURD-JTQLQIEISA-N 0 3 289.339 1.055 40 0 CDABHN COc1cccc(CN2CCO[C@@]3(CCCN(C)C3)C2)c1 ZINC000063527649 378304098 /nfs/dbraw/zinc/30/40/98/378304098.db2.gz GCZJWEOPCPBICK-QGZVFWFLSA-N 0 3 290.407 1.992 40 0 CDABHN CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000001581737 390139728 /nfs/dbraw/zinc/13/97/28/390139728.db2.gz MXDWBAYBLVBWAW-UWVGGRQHSA-N 0 3 258.362 1.206 40 0 CDABHN CN(C)C(=O)CCc1cccc([C@@H]2CCCN2C)n1 ZINC000072382834 390628310 /nfs/dbraw/zinc/62/83/10/390628310.db2.gz PEVVCNZKFSDSSE-AWEZNQCLSA-N 0 3 261.369 1.869 40 0 CDABHN COc1ccccc1[C@@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022218016 171376176 /nfs/dbraw/zinc/37/61/76/171376176.db2.gz VYATYFLJNUSCQT-MBNYWOFBSA-N 0 3 264.369 1.804 40 0 CDABHN CN(Cc1ccccc1Br)C(=O)CN ZINC000037493504 173233605 /nfs/dbraw/zinc/23/36/05/173233605.db2.gz YFQLIZKSWQVOQL-UHFFFAOYSA-N 0 3 257.131 1.366 40 0 CDABHN CCOC(CNCCC(=O)OC(C)(C)C)OCC ZINC000039174775 174165040 /nfs/dbraw/zinc/16/50/40/174165040.db2.gz NKCVXXGKPRBNMY-UHFFFAOYSA-N 0 3 261.362 1.707 40 0 CDABHN Cc1cc(Nc2ncccn2)nc([C@@H]2CCN(C)C2)n1 ZINC000072382345 176387920 /nfs/dbraw/zinc/38/79/20/176387920.db2.gz CYAXKUDIPZLWFH-LLVKDONJSA-N 0 3 270.340 1.738 40 0 CDABHN CCN(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390856 177474747 /nfs/dbraw/zinc/47/47/47/177474747.db2.gz ANOXUUNEAADVOD-LLVKDONJSA-N 0 3 285.388 1.051 40 0 CDABHN CCCNc1ncc(CNC[C@@H]2CCCO2)cn1 ZINC000062717683 262302373 /nfs/dbraw/zinc/30/23/73/262302373.db2.gz VNRSDTGKFNJJOP-LBPRGKRZSA-N 0 3 250.346 1.567 40 0 CDABHN CCN(CC)CC(=O)N1CCOC[C@@H]1c1ccccc1 ZINC000074192115 276321981 /nfs/dbraw/zinc/32/19/81/276321981.db2.gz CHAWOHXHWYAVAW-OAHLLOKOSA-N 0 3 276.380 1.928 40 0 CDABHN CN1CCN([C@@H]2CCCc3ccccc3[C@@H]2O)CC1 ZINC000019366349 277111040 /nfs/dbraw/zinc/11/10/40/277111040.db2.gz PKTNMCFYIQOHGV-CVEARBPZSA-N 0 3 260.381 1.672 40 0 CDABHN CN(C)C(=O)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000306144757 281958029 /nfs/dbraw/zinc/95/80/29/281958029.db2.gz ZNUBMQKQYRTPFX-CYBMUJFWSA-N 0 3 277.372 1.017 40 0 CDABHN CC(C)CCNC1(Cc2cc(C(C)(C)O)on2)COC1 ZINC001772595167 1159315030 /nfs/dbraw/zinc/31/50/30/1159315030.db2.gz SKDSEHIBOXUUQN-UHFFFAOYSA-N 0 3 282.384 1.849 40 0 CDABHN COc1ccc([C@H](N)c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095533698 185005717 /nfs/dbraw/zinc/00/57/17/185005717.db2.gz LGTXATPWLSTSNU-ZDUSSCGKSA-N 0 3 284.323 1.106 40 0 CDABHN CCOC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000096039321 185069443 /nfs/dbraw/zinc/06/94/43/185069443.db2.gz WPFGANVDWNSCQZ-JKSUJKDBSA-N 0 3 293.411 1.828 40 0 CDABHN CN(C)c1nc([C@H]2CCCN(CCO)C2)cn2cccc12 ZINC000585178752 342232528 /nfs/dbraw/zinc/23/25/28/342232528.db2.gz FUWQQVAGUJYVDM-ZDUSSCGKSA-N 0 3 288.395 1.572 40 0 CDABHN NCCS(=O)(=O)c1ccc(OC(F)(F)F)cc1 ZINC000044249549 539083503 /nfs/dbraw/zinc/08/35/03/539083503.db2.gz WFCKQHPPOPCVPE-UHFFFAOYSA-N 0 3 269.244 1.318 40 0 CDABHN OCCN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 ZINC000585269454 342255545 /nfs/dbraw/zinc/25/55/45/342255545.db2.gz VBTDTKHCWOBZFD-KBPBESRZSA-N 0 3 253.317 1.186 40 0 CDABHN Cc1nn(C)cc1CN[C@H]1CCCN(c2ncccn2)C1 ZINC000148888703 136393269 /nfs/dbraw/zinc/39/32/69/136393269.db2.gz RGXJXCLVROWLNL-AWEZNQCLSA-N 0 3 286.383 1.277 40 0 CDABHN C[C@H](CCc1ccc(O)cc1)N[C@H]1CCN(C)C1=O ZINC000136449260 363079772 /nfs/dbraw/zinc/07/97/72/363079772.db2.gz NNIKQRNRXYDFIM-RISCZKNCSA-N 0 3 262.353 1.534 40 0 CDABHN COP(=O)(OC)[C@@]1(O)C[C@@H](C)N(C)C[C@H]1C ZINC000005355931 363294584 /nfs/dbraw/zinc/29/45/84/363294584.db2.gz ANRNCSUBAGMGGV-BBBLOLIVSA-N 0 3 251.263 1.521 40 0 CDABHN COCCCNCC(=O)Nc1c(C)cccc1C ZINC000001668546 355945026 /nfs/dbraw/zinc/94/50/26/355945026.db2.gz ZTTZMISBNKKMHZ-UHFFFAOYSA-N 0 3 250.342 1.868 40 0 CDABHN CNC(=O)[C@@H](C)N[C@@H](C)CCc1ccc(O)cc1 ZINC000042560511 356073753 /nfs/dbraw/zinc/07/37/53/356073753.db2.gz FVLUBQWBASQZJM-WDEREUQCSA-N 0 3 250.342 1.437 40 0 CDABHN NCC(=O)N(Cc1cccc(Br)c1)C1CC1 ZINC000032128727 356833223 /nfs/dbraw/zinc/83/32/23/356833223.db2.gz WJGFPPGZWLWORH-UHFFFAOYSA-N 0 3 283.169 1.899 40 0 CDABHN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000034924577 356822901 /nfs/dbraw/zinc/82/29/01/356822901.db2.gz QMRMMPBZQUCAHR-KJPMQGKISA-N 0 3 286.422 1.324 40 0 CDABHN CN(C(=O)CN)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079390831 356988554 /nfs/dbraw/zinc/98/85/54/356988554.db2.gz RFPRTBTZPXIJMC-UHFFFAOYSA-N 0 3 285.388 1.239 40 0 CDABHN CC(C)N(Cc1ccc(Cl)nn1)C(=O)[C@H](C)N ZINC000079435869 356996152 /nfs/dbraw/zinc/99/61/52/356996152.db2.gz AMTVDHQZQCXXKZ-QMMMGPOBSA-N 0 3 256.737 1.214 40 0 CDABHN CCOC(=O)c1c(F)c(F)c(CN)c(F)c1F ZINC000199567158 358087936 /nfs/dbraw/zinc/08/79/36/358087936.db2.gz ZRNJWJDQRYMEKU-UHFFFAOYSA-N 0 3 251.179 1.878 40 0 CDABHN CC(C)N(CC(=O)N1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000072685599 358563774 /nfs/dbraw/zinc/56/37/74/358563774.db2.gz QMOAVJOSEMEHCD-KBPBESRZSA-N 0 3 298.427 1.512 40 0 CDABHN Cn1ccnc1CN1CC2(C1)CCN(Cc1ccncc1)C2 ZINC000096202553 358719255 /nfs/dbraw/zinc/71/92/55/358719255.db2.gz BBAQZORJGIILNX-UHFFFAOYSA-N 0 3 297.406 1.523 40 0 CDABHN CN1CCN(Cc2cccs2)C[C@]2(CCCC(=O)N2)C1 ZINC000096238338 358723941 /nfs/dbraw/zinc/72/39/41/358723941.db2.gz WJVRXZLBNFFSDE-HNNXBMFYSA-N 0 3 293.436 1.534 40 0 CDABHN O=C(Cc1cccnc1)N1C[C@@H]2NCc3ccccc3[C@@H]2C1 ZINC000096268303 358730314 /nfs/dbraw/zinc/73/03/14/358730314.db2.gz LLPWAKXHSFMQCE-IRXDYDNUSA-N 0 3 293.370 1.722 40 0 CDABHN CN(CCNc1ncnc2nc[nH]c21)Cc1ccccc1 ZINC000000213922 364095380 /nfs/dbraw/zinc/09/53/80/364095380.db2.gz MPRFAIWXWQJZEY-UHFFFAOYSA-N 0 3 282.351 1.897 40 0 CDABHN CC(C)C[C@H](N)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000225474571 374481993 /nfs/dbraw/zinc/48/19/93/374481993.db2.gz SQAKFDPPLYVQGA-RYUDHWBXSA-N 0 3 258.431 1.960 40 0 CDABHN CC(C)(N)C(=O)N1CCO[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000257224970 190015696 /nfs/dbraw/zinc/01/56/96/190015696.db2.gz FEEDAWLVXSWWFA-ZDUSSCGKSA-N 0 3 296.798 1.847 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000257229695 190016040 /nfs/dbraw/zinc/01/60/40/190016040.db2.gz FZEJHGPTVZSCGE-HNNXBMFYSA-N 0 3 294.420 1.375 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3ccccc3n2)C1 ZINC000257301704 190030064 /nfs/dbraw/zinc/03/00/64/190030064.db2.gz RZMXRNKDQWNKJV-KRWDZBQOSA-N 0 3 299.374 1.373 40 0 CDABHN O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CNC[C@@H]21 ZINC000306124946 285074692 /nfs/dbraw/zinc/07/46/92/285074692.db2.gz CCTOPIBNKMBDMB-ZFWWWQNUSA-N 0 3 286.356 1.591 40 0 CDABHN CC(C)N(C(=O)CN)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404254 390421484 /nfs/dbraw/zinc/42/14/84/390421484.db2.gz MSXANNZUDCQRGW-MRXNPFEDSA-N 0 3 289.423 1.847 40 0 CDABHN CCOc1ncc([C@H](CN)N2CCCCC2)cn1 ZINC000096511163 390530842 /nfs/dbraw/zinc/53/08/42/390530842.db2.gz ZWVDQHMAORFMRH-LBPRGKRZSA-N 0 3 250.346 1.361 40 0 CDABHN N[C@@H](c1ccccc1)c1ccc(N2CCOCC2)nc1 ZINC000072225497 390623227 /nfs/dbraw/zinc/62/32/27/390623227.db2.gz SCRARXAUOMSNLA-INIZCTEOSA-N 0 3 269.348 1.966 40 0 CDABHN CNCc1cnc(I)c(C)c1 ZINC000072225968 390625885 /nfs/dbraw/zinc/62/58/85/390625885.db2.gz BTJRRBWGLMGMJW-UHFFFAOYSA-N 0 3 262.094 1.714 40 0 CDABHN COc1cccc(-c2ccc(N3CCNCC3)nn2)c1 ZINC000070458473 390606384 /nfs/dbraw/zinc/60/63/84/390606384.db2.gz OFVZVZOFEMFJGY-UHFFFAOYSA-N 0 3 270.336 1.562 40 0 CDABHN COc1ccc(-c2ccc(N3CCNCC3)nn2)cc1 ZINC000070458408 390606664 /nfs/dbraw/zinc/60/66/64/390606664.db2.gz UXFDARKYXRZXAI-UHFFFAOYSA-N 0 3 270.336 1.562 40 0 CDABHN CNc1ncc(CNCCc2ccc(OC)cc2)cn1 ZINC000062717458 391570890 /nfs/dbraw/zinc/57/08/90/391570890.db2.gz KICPQMHXQYHMKZ-UHFFFAOYSA-N 0 3 272.352 1.859 40 0 CDABHN COc1cc(OC)c(OC)cc1CNC(C)(C)CO ZINC000006883119 170252656 /nfs/dbraw/zinc/25/26/56/170252656.db2.gz GVDDUOKRPNLQLI-UHFFFAOYSA-N 0 3 269.341 1.573 40 0 CDABHN CNC(=O)c1cccc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072355748 176374980 /nfs/dbraw/zinc/37/49/80/176374980.db2.gz NEENHGMLKXTOCK-HNNXBMFYSA-N 0 3 289.379 1.757 40 0 CDABHN CC(C)c1nc2ccccc2c2nn(CCN(C)C)c(=O)n21 ZINC000072373641 176384731 /nfs/dbraw/zinc/38/47/31/176384731.db2.gz NVLKCMZKXCPTKX-UHFFFAOYSA-N 0 3 299.378 1.729 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(Cl)c1 ZINC000072397649 176394949 /nfs/dbraw/zinc/39/49/49/176394949.db2.gz ITXBMAQQUQPOCO-BYCMXARLSA-N 0 3 280.799 1.979 40 0 CDABHN CNC(=O)c1cccc(CCNC(=O)CN(C)C(C)C)c1 ZINC000077124464 177226924 /nfs/dbraw/zinc/22/69/24/177226924.db2.gz QPPYYFFEMLYKNR-UHFFFAOYSA-N 0 3 291.395 1.045 40 0 CDABHN O=c1[nH]c(N2CCN3CCC[C@@H]3C2)nc2ccccc21 ZINC000072207522 275062047 /nfs/dbraw/zinc/06/20/47/275062047.db2.gz WIGUXPUMEWFJAL-LLVKDONJSA-N 0 3 270.336 1.620 40 0 CDABHN COc1ccccc1[C@H]1CNCCN1Cc1ncc[nH]1 ZINC000257254073 278063197 /nfs/dbraw/zinc/06/31/97/278063197.db2.gz KBLKKOQPMYUKIY-CYBMUJFWSA-N 0 3 272.352 1.565 40 0 CDABHN CCN(CC)Cc1cnc2n1CCN([C@@H]1CCOC1)CC2 ZINC000096067882 279138976 /nfs/dbraw/zinc/13/89/76/279138976.db2.gz YDETXXVEMPSNBD-CQSZACIVSA-N 0 3 292.427 1.372 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)CN)C1 ZINC000079409234 279299458 /nfs/dbraw/zinc/29/94/58/279299458.db2.gz MCQMFGSUHDOVEN-NSHDSACASA-N 0 3 285.388 1.192 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)CN)C1 ZINC000079409229 279299477 /nfs/dbraw/zinc/29/94/77/279299477.db2.gz MCQMFGSUHDOVEN-LLVKDONJSA-N 0 3 285.388 1.192 40 0 CDABHN CO[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048133 185072292 /nfs/dbraw/zinc/07/22/92/185072292.db2.gz ZCQAYLMQZMGSEF-CYBMUJFWSA-N 0 3 265.357 1.190 40 0 CDABHN O=C1CC[C@@]2(CCCN(Cc3cccnc3)CC2)N1 ZINC000096047458 185073019 /nfs/dbraw/zinc/07/30/19/185073019.db2.gz UQWFFBMPUQGSAT-OAHLLOKOSA-N 0 3 259.353 1.716 40 0 CDABHN C[C@@H]1NC(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062191 185082356 /nfs/dbraw/zinc/08/23/56/185082356.db2.gz ZSHXJBDHKCQALK-NSHDSACASA-N 0 3 280.393 1.618 40 0 CDABHN CCN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066313 185083940 /nfs/dbraw/zinc/08/39/40/185083940.db2.gz BLACWVBGXDASPP-YUTCNCBUSA-N 0 3 275.352 1.519 40 0 CDABHN Cn1cc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)cn1 ZINC000096110629 185100991 /nfs/dbraw/zinc/10/09/91/185100991.db2.gz JNNFXHYLKZATFK-IAGOWNOFSA-N 0 3 297.406 1.379 40 0 CDABHN CN1C[C@H]2CCN(Cc3ccccc3)CC[C@H]2S1(=O)=O ZINC000096145587 185106216 /nfs/dbraw/zinc/10/62/16/185106216.db2.gz PUAWBAJYSOXXFC-HUUCEWRRSA-N 0 3 294.420 1.542 40 0 CDABHN CCOCCN1CCC[C@](O)(COc2ccccc2)C1 ZINC000585269282 342254611 /nfs/dbraw/zinc/25/46/11/342254611.db2.gz OGJHOKAUMVUZFJ-MRXNPFEDSA-N 0 3 279.380 1.929 40 0 CDABHN Cc1nccc([C@H]2CCCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257219546 282191447 /nfs/dbraw/zinc/19/14/47/282191447.db2.gz DHEXJSCBJIDENT-ZDUSSCGKSA-N 0 3 288.395 1.763 40 0 CDABHN CCNCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000001669920 355946184 /nfs/dbraw/zinc/94/61/84/355946184.db2.gz VFEXFEWSVWZFOW-UHFFFAOYSA-N 0 3 250.298 1.411 40 0 CDABHN COC(=O)[C@@H](C)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648533 356315785 /nfs/dbraw/zinc/31/57/85/356315785.db2.gz QHQABJVSGUGKSW-WDEREUQCSA-N 0 3 286.372 1.395 40 0 CDABHN CCc1ccccc1O[C@@H](C)C(=O)NCCN(C)C ZINC000030866113 356755376 /nfs/dbraw/zinc/75/53/76/356755376.db2.gz TXRJEZMFBDFDKG-LBPRGKRZSA-N 0 3 264.369 1.694 40 0 CDABHN CC(C)[C@H](N)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391378 356988318 /nfs/dbraw/zinc/98/83/18/356988318.db2.gz JOOPLKRJCWQSCG-LBPRGKRZSA-N 0 3 299.415 1.485 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404416 356990663 /nfs/dbraw/zinc/99/06/63/356990663.db2.gz CDRBADUMCKUHRH-ZFWWWQNUSA-N 0 3 275.396 1.457 40 0 CDABHN CCN(CC1CCN(C(=O)CN)CC1)C(=O)OC(C)(C)C ZINC000079409192 356992465 /nfs/dbraw/zinc/99/24/65/356992465.db2.gz MTVVYAIMGHISPU-UHFFFAOYSA-N 0 3 299.415 1.441 40 0 CDABHN CCOC(=O)C1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000074707390 357923155 /nfs/dbraw/zinc/92/31/55/357923155.db2.gz UKOOSYSHHHCACJ-UHFFFAOYSA-N 0 3 282.384 1.130 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1nccs1)C(C)C ZINC000079436366 358070188 /nfs/dbraw/zinc/07/01/88/358070188.db2.gz UGQCDDZLOWWFMG-NSHDSACASA-N 0 3 283.397 1.546 40 0 CDABHN COCCN1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC000096159005 358711273 /nfs/dbraw/zinc/71/12/73/358711273.db2.gz LURJVBODMRHNKR-UHFFFAOYSA-N 0 3 291.395 1.399 40 0 CDABHN CO[C@H]1CCN(C)[C@@H]2CN(Cc3csc(C)n3)C[C@@H]21 ZINC000096217151 358721480 /nfs/dbraw/zinc/72/14/80/358721480.db2.gz ZNLIDARQVRMBQI-MJBXVCDLSA-N 0 3 281.425 1.602 40 0 CDABHN CCN1CCO[C@@H]2CN(C(=O)c3cccn3C)CC[C@@H]2C1 ZINC000096249566 358726786 /nfs/dbraw/zinc/72/67/86/358726786.db2.gz ZKUXIPBVKKPGJS-UKRRQHHQSA-N 0 3 291.395 1.208 40 0 CDABHN Brc1ccc(OC[C@@H]2CNCCO2)cc1 ZINC000011587497 358734283 /nfs/dbraw/zinc/73/42/83/358734283.db2.gz VVZUZDGQSSZNCQ-NSHDSACASA-N 0 3 272.142 1.816 40 0 CDABHN NCc1cccc(F)c1I ZINC000098096518 358812988 /nfs/dbraw/zinc/81/29/88/358812988.db2.gz XGQXMEQPZZNICC-UHFFFAOYSA-N 0 3 251.042 1.889 40 0 CDABHN CCN1CCN(c2cc(NC(C)=O)c(N)cc2C)CC1 ZINC000216863816 364819139 /nfs/dbraw/zinc/81/91/39/364819139.db2.gz NAPKRKYDZLZOIH-UHFFFAOYSA-N 0 3 276.384 1.678 40 0 CDABHN COCc1noc([C@@H](C)N2CCN(C3CC3)C[C@H](C)C2)n1 ZINC000333449454 205329263 /nfs/dbraw/zinc/32/92/63/205329263.db2.gz RKEPFNQLFHPMRT-VXGBXAGGSA-N 0 3 294.399 1.693 40 0 CDABHN CNCC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)C ZINC000225635442 375173840 /nfs/dbraw/zinc/17/38/40/375173840.db2.gz AMWHYKADSBYIRT-CYBMUJFWSA-N 0 3 256.296 1.998 40 0 CDABHN CCS(=O)(=O)N1CC[C@H](c2cc(NC)cc(C)n2)C1 ZINC000257268147 190024018 /nfs/dbraw/zinc/02/40/18/190024018.db2.gz MKLATRIZUIFIGY-NSHDSACASA-N 0 3 283.397 1.571 40 0 CDABHN CN(Cc1ccnc([C@@H]2CCCO2)n1)C1CCN(C)CC1 ZINC000257260979 190022724 /nfs/dbraw/zinc/02/27/24/190022724.db2.gz LFHWUYHMTCGOGG-HNNXBMFYSA-N 0 3 290.411 1.854 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218026036 375779323 /nfs/dbraw/zinc/77/93/23/375779323.db2.gz BLWJLKXJNKQTKR-SOUVJXGZSA-N 0 3 297.420 1.569 40 0 CDABHN CC(=O)N1CCNC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257291939 190027877 /nfs/dbraw/zinc/02/78/77/190027877.db2.gz QJICTGKSCOGGFJ-CQSZACIVSA-N 0 3 283.375 1.845 40 0 CDABHN Cn1cncc1CN1CCNC[C@@H]1c1ccccc1 ZINC000257307429 190031343 /nfs/dbraw/zinc/03/13/43/190031343.db2.gz SYPALGHNKHXJQZ-OAHLLOKOSA-N 0 3 256.353 1.567 40 0 CDABHN CC(=O)N1CCC(N2CC[C@H](c3nccc(C)n3)C2)CC1 ZINC000257333303 190035538 /nfs/dbraw/zinc/03/55/38/190035538.db2.gz YBALMMPAUMWYJU-AWEZNQCLSA-N 0 3 288.395 1.585 40 0 CDABHN O=C1NCC2(CCN(CCc3ccc(O)cc3)CC2)O1 ZINC000065742893 378572594 /nfs/dbraw/zinc/57/25/94/378572594.db2.gz OEAIHLLOOXOFHW-UHFFFAOYSA-N 0 3 276.336 1.509 40 0 in-vitro CDABHN CC(C)n1c(=O)c2cccnc2nc1[C@H]1CCCN1 ZINC000242723187 391944951 /nfs/dbraw/zinc/94/49/51/391944951.db2.gz YFPSAYKSGHTCSU-LLVKDONJSA-N 0 3 258.325 1.797 40 0 CDABHN CCOc1cc(CNC(C)(C)CO)ccc1OC ZINC000008254329 170327391 /nfs/dbraw/zinc/32/73/91/170327391.db2.gz BFZFWYDGTGNIOP-UHFFFAOYSA-N 0 3 253.342 1.954 40 0 CDABHN C[C@H](N)C(=O)N(C)Cc1cccc(Br)c1 ZINC000038100079 174114774 /nfs/dbraw/zinc/11/47/74/174114774.db2.gz AOUBRJALMCFLRC-QMMMGPOBSA-N 0 3 271.158 1.755 40 0 CDABHN COCCN(C)c1cc(C)nc([C@@H]2CCCN(C)C2)n1 ZINC000072365219 176380385 /nfs/dbraw/zinc/38/03/85/176380385.db2.gz VRQWUJNXXYEBAL-CYBMUJFWSA-N 0 3 278.400 1.677 40 0 CDABHN Cc1nc(C(=O)NCc2ccccn2)cc([C@H]2CCCN2)n1 ZINC000072365669 176381105 /nfs/dbraw/zinc/38/11/05/176381105.db2.gz YTYRBZSBOVSINE-CYBMUJFWSA-N 0 3 297.362 1.535 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1Cl ZINC000072397582 176395115 /nfs/dbraw/zinc/39/51/15/176395115.db2.gz GVAKMIRFGJFDNU-IACUBPJLSA-N 0 3 280.799 1.979 40 0 CDABHN Cc1cc(C)nc(NCCCNCc2cnc(N)nc2)n1 ZINC000062717899 262301766 /nfs/dbraw/zinc/30/17/66/262301766.db2.gz UADMFLLVAXRPML-UHFFFAOYSA-N 0 3 287.371 1.057 40 0 CDABHN CNC(=O)[C@@]1(C)CN(C2CCCCCC2)CCO1 ZINC000072379689 277011094 /nfs/dbraw/zinc/01/10/94/277011094.db2.gz RYFFUGPWMJVHKD-CQSZACIVSA-N 0 3 254.374 1.546 40 0 CDABHN CC(C)N(C(=O)CN)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079390886 279274672 /nfs/dbraw/zinc/27/46/72/279274672.db2.gz KWLYSUYKVDQRRQ-LLVKDONJSA-N 0 3 285.388 1.192 40 0 CDABHN CC(C)c1ccc(N2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260766413 328067273 /nfs/dbraw/zinc/06/72/73/328067273.db2.gz JXMSBFBKNSPWOO-CYBMUJFWSA-N 0 3 268.382 1.677 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cccs2)C[C@@H]2CCCO[C@H]12 ZINC000096040584 185068799 /nfs/dbraw/zinc/06/87/99/185068799.db2.gz HUMIWSLLSILZIV-SCRDCRAPSA-N 0 3 294.420 1.929 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1O ZINC000205679614 342572496 /nfs/dbraw/zinc/57/24/96/342572496.db2.gz SYGXVKNFPDYAOH-CHWSQXEVSA-N 0 3 254.374 1.090 40 0 CDABHN CN(C)C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053840 185076136 /nfs/dbraw/zinc/07/61/36/185076136.db2.gz XEBIEWPGBGCTRB-BETUJISGSA-N 0 3 274.368 1.127 40 0 CDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000096058274 185079217 /nfs/dbraw/zinc/07/92/17/185079217.db2.gz ZWDYKIBPKAKUDN-HZSPNIEDSA-N 0 3 294.420 1.721 40 0 CDABHN O=C(c1ccco1)N1CCC[C@]2(CCN(CCO)C2)C1 ZINC000096071620 185086851 /nfs/dbraw/zinc/08/68/51/185086851.db2.gz XEGPTIOLYAWLKI-OAHLLOKOSA-N 0 3 278.352 1.200 40 0 CDABHN c1cc(CN2CCC3(CC2)COCCN3CC2CC2)n[nH]1 ZINC000096074632 185088396 /nfs/dbraw/zinc/08/83/96/185088396.db2.gz LYCJQWNKQVXXIX-UHFFFAOYSA-N 0 3 290.411 1.487 40 0 CDABHN Cc1nc(C)c2c(n1)CCN(Cc1cnn(C)c1)CC2 ZINC000096083772 185092915 /nfs/dbraw/zinc/09/29/15/185092915.db2.gz DHROUORSLRDHAU-UHFFFAOYSA-N 0 3 271.368 1.428 40 0 CDABHN CCN1CCO[C@@H]2CN(C(=O)C3CC(F)C3)CC[C@@H]2C1 ZINC000585107946 342213348 /nfs/dbraw/zinc/21/33/48/342213348.db2.gz IGSXUDNMOVSVQZ-BLYZHGLHSA-N 0 3 284.375 1.304 40 0 CDABHN Cc1nc(C)c(CN2CCC[C@@]3(CN(C)C3=O)C2)s1 ZINC000585099324 342212103 /nfs/dbraw/zinc/21/21/03/342212103.db2.gz DYKRKFKSFAQHJV-CQSZACIVSA-N 0 3 279.409 1.814 40 0 CDABHN Cc1cc(OC[C@]2(CC(N)=O)CNCCO2)ccc1Cl ZINC000585271749 342255892 /nfs/dbraw/zinc/25/58/92/342255892.db2.gz HFBRVLKSBXORRJ-AWEZNQCLSA-N 0 3 298.770 1.261 40 0 CDABHN CO[C@@H]1COC[C@@H](N(C)CCCc2ccccc2)[C@@H]1O ZINC000585290949 342258898 /nfs/dbraw/zinc/25/88/98/342258898.db2.gz JHNVNNUMRJBZMR-OAGGEKHMSA-N 0 3 279.380 1.326 40 0 CDABHN CCn1nccc1CN1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366406 342302048 /nfs/dbraw/zinc/30/20/48/342302048.db2.gz FQDGPIADCAUKGN-WFASDCNBSA-N 0 3 277.368 1.678 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H]1Cn1cc(CN)nn1 ZINC000080837585 342449309 /nfs/dbraw/zinc/44/93/09/342449309.db2.gz HSXLKFUMMLKRPP-LLVKDONJSA-N 0 3 281.360 1.136 40 0 CDABHN c1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000253588521 362440206 /nfs/dbraw/zinc/44/02/06/362440206.db2.gz GIIGNWXDMJMFCV-IRXDYDNUSA-N 0 3 287.407 1.767 40 0 CDABHN COC[C@H]1CNCc2cn(CC3CCOCC3)nc21 ZINC000107492396 186176154 /nfs/dbraw/zinc/17/61/54/186176154.db2.gz QCNMOKBGXKNUOY-CYBMUJFWSA-N 0 3 265.357 1.143 40 0 CDABHN C[C@@H](CCN1CCN2C(=O)NC[C@H]2C1)c1ccccc1 ZINC000225580838 366072510 /nfs/dbraw/zinc/07/25/10/366072510.db2.gz MEMUXWHMRHTWFB-ZFWWWQNUSA-N 0 3 273.380 1.890 40 0 CDABHN CSc1nccnc1CN(C(=O)[C@@H](N)C(C)C)C1CC1 ZINC000079435743 356996691 /nfs/dbraw/zinc/99/66/91/356996691.db2.gz KAFNMWTYLKJYBU-LBPRGKRZSA-N 0 3 294.424 1.673 40 0 CDABHN CNC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225231247 359562435 /nfs/dbraw/zinc/56/24/35/359562435.db2.gz BABVIOYIIDJUPK-UHFFFAOYSA-N 0 3 269.439 1.806 40 0 CDABHN CN(C)CCOc1cc(Br)ccc1N ZINC000083738930 360533721 /nfs/dbraw/zinc/53/37/21/360533721.db2.gz OIEONBBPXVOYSQ-UHFFFAOYSA-N 0 3 259.147 1.972 40 0 CDABHN CCOC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978907 360533912 /nfs/dbraw/zinc/53/39/12/360533912.db2.gz WWPMYTOKVNMVIW-CHWSQXEVSA-N 0 3 269.366 1.214 40 0 CDABHN Cc1nn(C(C)C)cc1CNCCCN1CCOCC1 ZINC000256054177 190004996 /nfs/dbraw/zinc/00/49/96/190004996.db2.gz VFHLEQQLFJEDBU-UHFFFAOYSA-N 0 3 280.416 1.584 40 0 CDABHN COc1cccc(CNC2CCC(NC(C)=O)CC2)n1 ZINC000132883089 375622278 /nfs/dbraw/zinc/62/22/78/375622278.db2.gz MBFREJMXTOMXJZ-UHFFFAOYSA-N 0 3 277.368 1.627 40 0 CDABHN Cc1nn(C)c2nc([C@]3(C)CCCN(CCO)C3)ccc12 ZINC000257205180 190011606 /nfs/dbraw/zinc/01/16/06/190011606.db2.gz AXYWFHVRVNGYSM-MRXNPFEDSA-N 0 3 288.395 1.623 40 0 CDABHN CO[C@H]1CN(Cc2ccncc2)CC[C@@]12CCCO2 ZINC000257306592 190030983 /nfs/dbraw/zinc/03/09/83/190030983.db2.gz SUYXZOOAXZXEEA-GJZGRUSLSA-N 0 3 262.353 1.852 40 0 CDABHN CNc1nccnc1C[C@@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257317782 190032955 /nfs/dbraw/zinc/03/29/55/190032955.db2.gz VLCNVWHHILCXEJ-LBPRGKRZSA-N 0 3 286.383 1.696 40 0 CDABHN O=c1cc(C[C@@H]2COCC[N@H+](Cc3ccccc3)C2)nc[n-]1 ZINC000257321246 190033745 /nfs/dbraw/zinc/03/37/45/190033745.db2.gz WAVCABKZBUJQQT-HNNXBMFYSA-N 0 3 299.374 1.873 40 0 CDABHN O=c1cc(C[C@@H]2COCC[N@@H+](Cc3ccccc3)C2)nc[n-]1 ZINC000257321246 190033746 /nfs/dbraw/zinc/03/37/46/190033746.db2.gz WAVCABKZBUJQQT-HNNXBMFYSA-N 0 3 299.374 1.873 40 0 CDABHN C[Si](C)(C)CCOCN1C(=O)CC2=C1NCC=C2 ZINC000265540542 190188989 /nfs/dbraw/zinc/18/89/89/190188989.db2.gz DFMSESYUUSHONO-UHFFFAOYSA-N 0 3 266.417 1.902 40 0 CDABHN CS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000048903839 390462857 /nfs/dbraw/zinc/46/28/57/390462857.db2.gz NKLYCHNJMDAHHK-UHFFFAOYSA-N 0 3 268.382 1.332 40 0 CDABHN CC(=O)N1CCCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216377 390621040 /nfs/dbraw/zinc/62/10/40/390621040.db2.gz JQPAQJBIUTZMJR-HNNXBMFYSA-N 0 3 288.395 1.565 40 0 CDABHN NCC(=O)NCc1nc(-c2c(F)cccc2Cl)no1 ZINC000072220485 390622190 /nfs/dbraw/zinc/62/21/90/390622190.db2.gz YEGOWLJDVOUKHL-UHFFFAOYSA-N 0 3 284.678 1.104 40 0 CDABHN COc1cccc([C@@H](N)c2nnc(Cn3cccn3)[nH]2)c1 ZINC000095533557 390607569 /nfs/dbraw/zinc/60/75/69/390607569.db2.gz OCQIGHWFHDDDFG-CYBMUJFWSA-N 0 3 284.323 1.106 40 0 CDABHN COc1ccc(C[C@H]2CN(C)CC[C@@H]2O)c(OC)c1OC ZINC000252497673 392794873 /nfs/dbraw/zinc/79/48/73/392794873.db2.gz QMQMRMFUDUJKIO-STQMWFEESA-N 0 3 295.379 1.568 40 0 CDABHN O=S(CCN1CCCCC1)CCN1CCCCC1 ZINC000005375615 170090469 /nfs/dbraw/zinc/09/04/69/170090469.db2.gz QNOWUBKZSXCUBD-UHFFFAOYSA-N 0 3 272.458 1.707 40 0 CDABHN CCOC(=O)c1cccc(NC(=S)NCCN(C)C)c1 ZINC000007369002 170279627 /nfs/dbraw/zinc/27/96/27/170279627.db2.gz GECNWLGHKHFYKC-UHFFFAOYSA-N 0 3 295.408 1.711 40 0 CDABHN COc1cc(CNC[C@H](C)O)cc(OC)c1OC ZINC000008497908 170338234 /nfs/dbraw/zinc/33/82/34/170338234.db2.gz FKCBAZQXBSGXJL-VIFPVBQESA-N 0 3 255.314 1.183 40 0 CDABHN NC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000022214363 171374743 /nfs/dbraw/zinc/37/47/43/171374743.db2.gz BWUAYKBWBVGGBH-GFCCVEGCSA-N 0 3 290.285 1.917 40 0 CDABHN Cc1nccn1-c1nccnc1[C@H]1CCCN(C)C1 ZINC000072350494 176373496 /nfs/dbraw/zinc/37/34/96/176373496.db2.gz LSABXAMZAKMHLN-LBPRGKRZSA-N 0 3 257.341 1.780 40 0 CDABHN Cc1cc(-n2ccnc2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072382904 176388478 /nfs/dbraw/zinc/38/84/78/176388478.db2.gz RFEOHSYRKXOEOF-GFCCVEGCSA-N 0 3 257.341 1.780 40 0 CDABHN CN1CCC[C@@](O)(CN2CCN(c3ccccc3)CC2)C1 ZINC000046087415 423939071 /nfs/dbraw/zinc/93/90/71/423939071.db2.gz VWZKXMNKLXPKSJ-KRWDZBQOSA-N 0 3 289.423 1.265 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)CN)C1 ZINC000079409154 279004982 /nfs/dbraw/zinc/00/49/82/279004982.db2.gz YBNKGLNUNYOZAN-NSHDSACASA-N 0 3 285.388 1.193 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2ccncc2)N1 ZINC000022238415 279618743 /nfs/dbraw/zinc/61/87/43/279618743.db2.gz GHKQCOCMYZWOPC-LBPRGKRZSA-N 0 3 292.302 1.079 40 0 CDABHN Cc1cccc(C)c1N1CC[C@H](CN)S1(=O)=O ZINC000260762877 328066843 /nfs/dbraw/zinc/06/68/43/328066843.db2.gz HTXHFCCSMZWFQX-LLVKDONJSA-N 0 3 254.355 1.171 40 0 CDABHN Cc1cc(C)c(N2CC[C@H](CN)S2(=O)=O)c(C)c1 ZINC000260778602 328068967 /nfs/dbraw/zinc/06/89/67/328068967.db2.gz RTZHEBZXACIKNJ-GFCCVEGCSA-N 0 3 268.382 1.479 40 0 CDABHN Brc1cccc2c([C@H]3CNCCO3)ncn21 ZINC000095698616 342451610 /nfs/dbraw/zinc/45/16/10/342451610.db2.gz PMXWITXTQKAMSR-SECBINFHSA-N 0 3 282.141 1.758 40 0 CDABHN Cc1nc(COC[C@H]2CNCc3nccn3C2)cs1 ZINC000096059152 185078685 /nfs/dbraw/zinc/07/86/85/185078685.db2.gz CEFYNIYSYDXNSF-NSHDSACASA-N 0 3 278.381 1.584 40 0 CDABHN COCCN1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096081401 185091707 /nfs/dbraw/zinc/09/17/07/185091707.db2.gz IFYZZRRDSGAKHV-QWHCGFSZSA-N 0 3 278.352 1.320 40 0 CDABHN CC(C)N1CCOC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585268967 342254421 /nfs/dbraw/zinc/25/44/21/342254421.db2.gz GAUVHKXYPRMRIC-OAHLLOKOSA-N 0 3 283.343 1.676 40 0 CDABHN CC(C)CCO[C@H]1COCCN(C2CCOCC2)C1 ZINC000085436032 179063041 /nfs/dbraw/zinc/06/30/41/179063041.db2.gz PKLSNWSUHSEVAK-OAHLLOKOSA-N 0 3 271.401 1.929 40 0 biogenic,in-vitro CDABHN OC[C@H]1C[C@@H](NCc2ccc(F)cc2F)C[C@H]1O ZINC000085468328 179073122 /nfs/dbraw/zinc/07/31/22/179073122.db2.gz OLNZAZVQTPDZEU-IRUJWGPZSA-N 0 3 257.280 1.186 40 0 CDABHN OC[C@@H]1C[C@H](NCc2ccc(F)cc2F)C[C@H]1O ZINC000085468336 179073509 /nfs/dbraw/zinc/07/35/09/179073509.db2.gz OLNZAZVQTPDZEU-XHVZSJERSA-N 0 3 257.280 1.186 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cnn(C)c1)C2 ZINC000108535034 186221815 /nfs/dbraw/zinc/22/18/15/186221815.db2.gz WWXJGNFSFMFEPB-DZGCQCFKSA-N 0 3 276.384 1.158 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108532686 186222732 /nfs/dbraw/zinc/22/27/32/186222732.db2.gz SACSIEUMWGEEAJ-GOEBONIOSA-N 0 3 290.411 1.467 40 0 CDABHN CN(C[C@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079407869 356990867 /nfs/dbraw/zinc/99/08/67/356990867.db2.gz XQZIQWQYQOVKEB-LLVKDONJSA-N 0 3 258.362 1.310 40 0 CDABHN CC(C)N(C[C@H]1CCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409240 356992118 /nfs/dbraw/zinc/99/21/18/356992118.db2.gz BBIJRHBGFAALRD-GFCCVEGCSA-N 0 3 299.415 1.582 40 0 CDABHN COc1ccc(CN(C(=O)[C@@H](N)C(C)C)C(C)C)nn1 ZINC000079435907 356996529 /nfs/dbraw/zinc/99/65/29/356996529.db2.gz YVQVZVWDNTYSMT-ZDUSSCGKSA-N 0 3 280.372 1.206 40 0 CDABHN C[C@H]1CN([C@@H](CN)c2ccccc2F)C[C@H](C)O1 ZINC000036092674 357270644 /nfs/dbraw/zinc/27/06/44/357270644.db2.gz BINUIMUTYHIZNB-MJVIPROJSA-N 0 3 252.333 1.935 40 0 CDABHN CC(C)(C)OC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000056513722 357344941 /nfs/dbraw/zinc/34/49/41/357344941.db2.gz KPAUBBHJUPFJJV-NSHDSACASA-N 0 3 258.362 1.358 40 0 CDABHN CC(C)NC(=O)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 ZINC000096206899 358720230 /nfs/dbraw/zinc/72/02/30/358720230.db2.gz QRTUFNYGSPDQHR-UKRRQHHQSA-N 0 3 278.352 1.253 40 0 CDABHN Cc1ccsc1C(=O)N1CC[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096249556 358726412 /nfs/dbraw/zinc/72/64/12/358726412.db2.gz ZLKBVAAGDYSNGF-CHWSQXEVSA-N 0 3 294.420 1.849 40 0 CDABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252961 358727639 /nfs/dbraw/zinc/72/76/39/358727639.db2.gz LFBCGBSGAFUZAY-QLFBSQMISA-N 0 3 282.428 1.894 40 0 CDABHN COc1cccc([C@H](CN)N2CCOCC2)c1OC ZINC000019258302 358839698 /nfs/dbraw/zinc/83/96/98/358839698.db2.gz JOOHEYDVJFMCCA-LBPRGKRZSA-N 0 3 266.341 1.036 40 0 CDABHN O=C(CN1CCNCC1)Nc1ccc(Cl)c(F)c1 ZINC000023292118 359231379 /nfs/dbraw/zinc/23/13/79/359231379.db2.gz WQBANXPCWFUCPP-UHFFFAOYSA-N 0 3 271.723 1.323 40 0 CDABHN CCCCc1ccc(N2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222541253 359353116 /nfs/dbraw/zinc/35/31/16/359353116.db2.gz BLADWLJRGIUHHS-AWEZNQCLSA-N 0 3 282.409 1.896 40 0 CDABHN O[C@@H](COCc1ccccc1)CN1CCSCC1 ZINC000002692786 364636135 /nfs/dbraw/zinc/63/61/35/364636135.db2.gz DLFCGTJJFSAPML-CQSZACIVSA-N 0 3 267.394 1.613 40 0 CDABHN Cc1cnc(C2(C)CCN(CCC(N)=O)CC2)s1 ZINC000257212665 190012822 /nfs/dbraw/zinc/01/28/22/190012822.db2.gz CEKFZZDXXFENBS-UHFFFAOYSA-N 0 3 267.398 1.680 40 0 CDABHN NC(=O)CN1C[C@@H]2[C@@H](Cc3cccc(F)c3)CC[C@@H]2C1 ZINC000257225063 190015198 /nfs/dbraw/zinc/01/51/98/190015198.db2.gz FEQSZHSYZPBIGV-UMVBOHGHSA-N 0 3 276.355 1.812 40 0 CDABHN CN(C)Cc1c[nH]c([C@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000257255488 190020569 /nfs/dbraw/zinc/02/05/69/190020569.db2.gz KHRHORIWANITFK-NSHDSACASA-N 0 3 274.372 1.184 40 0 CDABHN CN(C)Cc1cnc([C@H]2CCN(Cc3cc[nH]n3)C2)[nH]1 ZINC000257255488 190020570 /nfs/dbraw/zinc/02/05/70/190020570.db2.gz KHRHORIWANITFK-NSHDSACASA-N 0 3 274.372 1.184 40 0 CDABHN CN1CCC[C@](O)(CN2CCCc3ccccc32)C1 ZINC000040715098 378606293 /nfs/dbraw/zinc/60/62/93/378606293.db2.gz XHIKUFFARCIEDD-MRXNPFEDSA-N 0 3 260.381 1.896 40 0 CDABHN COc1ccc(C2=N[C@@]3(CCCNC3)N(C)C2=O)cc1 ZINC000096516448 390534530 /nfs/dbraw/zinc/53/45/30/390534530.db2.gz MRFGIWWKQUEAPC-HNNXBMFYSA-N 0 3 273.336 1.036 40 0 CDABHN CC(=O)N1CCC[C@H]1c1cccnc1N1CCNCC1 ZINC000072216336 390621286 /nfs/dbraw/zinc/62/12/86/390621286.db2.gz GNRWUJNIDAMXAH-AWEZNQCLSA-N 0 3 274.368 1.175 40 0 CDABHN Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCN1C ZINC000072219385 390623102 /nfs/dbraw/zinc/62/31/02/390623102.db2.gz TYMFWOZFOGWORG-AWEZNQCLSA-N 0 3 261.369 1.993 40 0 CDABHN COc1cc(CNCCO)cc(Br)c1OC ZINC000008469820 170337110 /nfs/dbraw/zinc/33/71/10/170337110.db2.gz QYSQUJNFELYBAL-UHFFFAOYSA-N 0 3 290.157 1.548 40 0 CDABHN COc1ccccc1[C@H](CN)N1C[C@@H](C)O[C@@H](C)C1 ZINC000022218019 171376141 /nfs/dbraw/zinc/37/61/41/171376141.db2.gz VYATYFLJNUSCQT-SCRDCRAPSA-N 0 3 264.369 1.804 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)cc1F ZINC000072397600 176394900 /nfs/dbraw/zinc/39/49/00/176394900.db2.gz VJVHQBVGMRIQIJ-ZLKJLUDKSA-N 0 3 282.334 1.604 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079391137 277184675 /nfs/dbraw/zinc/18/46/75/277184675.db2.gz WTVJGNCNOYKARP-GFCCVEGCSA-N 0 3 297.399 1.336 40 0 CDABHN N#CCCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000016036055 1165640138 /nfs/dbraw/zinc/64/01/38/1165640138.db2.gz SDLAAVSKTBAHSQ-OLZOCXBDSA-N 0 3 257.337 1.571 40 0 CDABHN [NH3+][C@@H](Cc1ccccc1)c1nnc(-c2cnccn2)[n-]1 ZINC000095534856 185008507 /nfs/dbraw/zinc/00/85/07/185008507.db2.gz LBEXKAQSMCLQEY-NSHDSACASA-N 0 3 266.308 1.504 40 0 CDABHN N[C@@H](Cc1ccccc1)c1nc(-c2cnccn2)n[nH]1 ZINC000095534856 185008509 /nfs/dbraw/zinc/00/85/09/185008509.db2.gz LBEXKAQSMCLQEY-NSHDSACASA-N 0 3 266.308 1.504 40 0 CDABHN CC1(C)N[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2CO1 ZINC000095913268 185030633 /nfs/dbraw/zinc/03/06/33/185030633.db2.gz PEJXWFVSLBDUGW-ZIAGYGMSSA-N 0 3 290.363 1.980 40 0 CDABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccoc3)CCO2)C1 ZINC000096049718 185074167 /nfs/dbraw/zinc/07/41/67/185074167.db2.gz WATWUPRTUQZPHO-MRXNPFEDSA-N 0 3 294.395 1.591 40 0 CDABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053749 185075098 /nfs/dbraw/zinc/07/50/98/185075098.db2.gz LPBJEIWKQSERJG-GASCZTMLSA-N 0 3 297.358 1.879 40 0 CDABHN CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096057184 185078041 /nfs/dbraw/zinc/07/80/41/185078041.db2.gz WBTITINGPGSSCE-KFWWJZLASA-N 0 3 292.379 1.452 40 0 CDABHN COCCN1CC[C@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096062294 185083362 /nfs/dbraw/zinc/08/33/62/185083362.db2.gz HPEQOGHBEDDPDD-MRXNPFEDSA-N 0 3 294.395 1.450 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@@H]2OC ZINC000096109400 185099180 /nfs/dbraw/zinc/09/91/80/185099180.db2.gz RMTHSGVXJAFBHS-XHSDSOJGSA-N 0 3 288.391 1.868 40 0 CDABHN CN1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 ZINC000096107309 185099635 /nfs/dbraw/zinc/09/96/35/185099635.db2.gz NFSBYICXZCWYPV-CABCVRRESA-N 0 3 262.353 1.852 40 0 CDABHN Cc1ccc(OC[C@]2(O)CCCN(CCC(N)=O)C2)cc1 ZINC000585269197 342255125 /nfs/dbraw/zinc/25/51/25/342255125.db2.gz LJIOWSLJXGNRCX-INIZCTEOSA-N 0 3 292.379 1.076 40 0 CDABHN Cc1sc(CNCCO)cc1Br ZINC000085393240 179048525 /nfs/dbraw/zinc/04/85/25/179048525.db2.gz PIRREDMYUDYBFB-UHFFFAOYSA-N 0 3 250.161 1.901 40 0 CDABHN CN(C)CCNC(=O)CSCc1ccccc1 ZINC000010111499 348734196 /nfs/dbraw/zinc/73/41/96/348734196.db2.gz HRNWMKUGXMQNCC-UHFFFAOYSA-N 0 3 252.383 1.598 40 0 CDABHN COc1cccc(CN2CC[C@@H]3OCCN(C)[C@H]3C2)c1 ZINC000108534290 186222000 /nfs/dbraw/zinc/22/20/00/186222000.db2.gz VNLGTOGUFCNAOZ-HOTGVXAUSA-N 0 3 276.380 1.600 40 0 CDABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cnc(C)nc1)C2 ZINC000108535588 186222463 /nfs/dbraw/zinc/22/24/63/186222463.db2.gz WLDHZKNCVXTDRC-ZBFHGGJFSA-N 0 3 288.395 1.523 40 0 CDABHN CCN(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390876 356988528 /nfs/dbraw/zinc/98/85/28/356988528.db2.gz FOPFLGRUZVXQIR-NWDGAFQWSA-N 0 3 299.415 1.630 40 0 CDABHN CC(=O)N1CC2(C1)C[C@@H](COCc1ccncc1)CN2C ZINC000585093865 358098954 /nfs/dbraw/zinc/09/89/54/358098954.db2.gz LLHWWQFVDDBVNZ-OAHLLOKOSA-N 0 3 289.379 1.151 40 0 CDABHN Cc1cnc(N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)nc1 ZINC000096161578 358711071 /nfs/dbraw/zinc/71/10/71/358711071.db2.gz WWYMBLODOPTOGD-GASCZTMLSA-N 0 3 295.390 1.748 40 0 CDABHN CCc1ccc(CN2CCC3(CC2)OCC(=O)N[C@H]3C)o1 ZINC000096201472 358718047 /nfs/dbraw/zinc/71/80/47/358718047.db2.gz WFPIGVQJTGNPRV-LBPRGKRZSA-N 0 3 292.379 1.712 40 0 CDABHN CN1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1cccnc1)O2 ZINC000096206747 358720154 /nfs/dbraw/zinc/72/01/54/358720154.db2.gz IBQGNWDJSAHRLT-GDBMZVCRSA-N 0 3 289.379 1.455 40 0 CDABHN Cc1cccc(CN2C(=O)CCC23CCN(C)CC3)n1 ZINC000096228287 358724132 /nfs/dbraw/zinc/72/41/32/358724132.db2.gz FXTXWNJLEASBAN-UHFFFAOYSA-N 0 3 273.380 1.977 40 0 CDABHN O=C1C[C@]2(CCN(CCO)C2)CN1c1cccc(F)c1 ZINC000096239427 358724876 /nfs/dbraw/zinc/72/48/76/358724876.db2.gz SWNBLDFMJTWMGU-HNNXBMFYSA-N 0 3 278.327 1.247 40 0 CDABHN Cc1ccc(N2C[C@]3(CCN(CCO)C3)CC2=O)s1 ZINC000096239444 358724912 /nfs/dbraw/zinc/72/49/12/358724912.db2.gz HWKPXGCVETZKSN-CQSZACIVSA-N 0 3 280.393 1.478 40 0 CDABHN CC(C)Oc1ncnc2c1CCN(C[C@@H]1CCOC1)CC2 ZINC000096255651 358728906 /nfs/dbraw/zinc/72/89/06/358728906.db2.gz SDESNTHNNCKRNZ-ZDUSSCGKSA-N 0 3 291.395 1.701 40 0 CDABHN NC[C@H]1CCN(Cc2ccccc2Cl)S1(=O)=O ZINC000222537299 359351828 /nfs/dbraw/zinc/35/18/28/359351828.db2.gz CGFUPRUYEAACNA-SNVBAGLBSA-N 0 3 274.773 1.203 40 0 CDABHN CN(C)CCNC(=O)c1ccc2oc(Cl)nc2c1 ZINC000225975110 359637085 /nfs/dbraw/zinc/63/70/85/359637085.db2.gz YCHGLOJVKFEYRN-UHFFFAOYSA-N 0 3 267.716 1.773 40 0 CDABHN CSC(C)(C)CNC(=O)NC1CCN(C)CC1 ZINC000073485592 360492523 /nfs/dbraw/zinc/49/25/23/360492523.db2.gz DPEABLIESFFCSX-UHFFFAOYSA-N 0 3 259.419 1.521 40 0 CDABHN CN(C)C(=O)CN1C[C@@H]2C[C@@H](Oc3ccccc3)C[C@@H]2C1 ZINC000257303362 190030159 /nfs/dbraw/zinc/03/01/59/190030159.db2.gz SGWQZAVHHKUZFZ-FOLVSLTJSA-N 0 3 288.391 1.864 40 0 CDABHN Cc1cn(C)c([C@H]2CCN(Cc3cncn3C)C2)n1 ZINC000257343800 190037813 /nfs/dbraw/zinc/03/78/13/190037813.db2.gz ZULXUHGEJHUSTJ-LBPRGKRZSA-N 0 3 259.357 1.452 40 0 CDABHN Cc1ccc(CN2CC3(C2)CO[C@@H](CN(C)C)C3)o1 ZINC000096239514 256829764 /nfs/dbraw/zinc/82/97/64/256829764.db2.gz LCUYQSYQUUHIKU-CQSZACIVSA-N 0 3 264.369 1.741 40 0 CDABHN CCN1CCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216513 390620919 /nfs/dbraw/zinc/62/09/19/390620919.db2.gz JWQYCCKOQQFXKZ-OAHLLOKOSA-N 0 3 274.412 1.990 40 0 CDABHN Cc1cc(N2CCNCC2)ncc1[C@H](O)c1ccccc1 ZINC000072223579 390623899 /nfs/dbraw/zinc/62/38/99/390623899.db2.gz RDNDXRRGSCLNPL-QGZVFWFLSA-N 0 3 283.375 1.881 40 0 CDABHN O=C(C1CCC1)N1Cc2cncn2[C@@H](CN2CCCC2)C1 ZINC000247832332 391421914 /nfs/dbraw/zinc/42/19/14/391421914.db2.gz LMTUYZOUNOHEGI-HNNXBMFYSA-N 0 3 288.395 1.662 40 0 CDABHN OCCOc1cccc(CN2CC[C@@H](c3cc[nH]n3)C2)c1 ZINC000257322782 391649891 /nfs/dbraw/zinc/64/98/91/391649891.db2.gz WHJLDMREONBYKA-CQSZACIVSA-N 0 3 287.363 1.770 40 0 CDABHN CCCN1CC[C@@H](CO)N(C)c2nc(C)ccc2C1 ZINC000225494560 393070575 /nfs/dbraw/zinc/07/05/75/393070575.db2.gz FOGBQKCACFMEKT-AWEZNQCLSA-N 0 3 263.385 1.803 40 0 biogenic,in-vitro CDABHN CC(C)NCC(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000021985900 171345400 /nfs/dbraw/zinc/34/54/00/171345400.db2.gz BKXGLPPAZWSLEH-UHFFFAOYSA-N 0 3 270.354 1.239 40 0 in-vitro CDABHN Cc1nccn1C[C@H]1CCCN(Cc2nccn2C)C1 ZINC000072352906 176374524 /nfs/dbraw/zinc/37/45/24/176374524.db2.gz KCUDCINWOHUYFO-AWEZNQCLSA-N 0 3 273.384 1.837 40 0 CDABHN Cc1cc(-n2ccnc2)nc([C@H]2CCCN(C)C2)n1 ZINC000072382905 176388492 /nfs/dbraw/zinc/38/84/92/176388492.db2.gz RFEOHSYRKXOEOF-LBPRGKRZSA-N 0 3 257.341 1.780 40 0 CDABHN CO[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096048132 277301355 /nfs/dbraw/zinc/30/13/55/277301355.db2.gz ZCQAYLMQZMGSEF-ZDUSSCGKSA-N 0 3 265.357 1.190 40 0 CDABHN O[C@@H](CNCc1cnc(N2CCCC2)nc1)c1ccccc1 ZINC000062717809 333176118 /nfs/dbraw/zinc/17/61/18/333176118.db2.gz BYDUCWMRDXPCDK-INIZCTEOSA-N 0 3 298.390 1.900 40 0 CDABHN CCN1CCN(c2ccc(NC(C)=O)cc2N)CC1 ZINC000226262956 535747619 /nfs/dbraw/zinc/74/76/19/535747619.db2.gz AHDFOQHSZBIRIR-UHFFFAOYSA-N 0 3 262.357 1.369 40 0 CDABHN CNC(=O)[C@]1(C)CCCN(Cc2cnn(C)c2C)C1 ZINC000019746709 342540595 /nfs/dbraw/zinc/54/05/95/342540595.db2.gz CKAMBXGZZZTSOR-CQSZACIVSA-N 0 3 264.373 1.077 40 0 CDABHN COc1ccc(CN2CCC3(CC2)COCCN3C)cc1 ZINC000096048905 185073536 /nfs/dbraw/zinc/07/35/36/185073536.db2.gz WZVGCAYQIBPNEU-UHFFFAOYSA-N 0 3 290.407 1.992 40 0 CDABHN Fc1cccc(CNC[C@@H]2Cn3nncc3CO2)c1 ZINC000096069256 185085214 /nfs/dbraw/zinc/08/52/14/185085214.db2.gz YUUYGPGETZPGDG-CYBMUJFWSA-N 0 3 262.288 1.106 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccoc1C)CC[C@@H]2OC ZINC000096109394 185099351 /nfs/dbraw/zinc/09/93/51/185099351.db2.gz YBQQTLITZGKFGL-ZNMIVQPWSA-N 0 3 292.379 1.769 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccccc1OC)C2 ZINC000096110999 185101057 /nfs/dbraw/zinc/10/10/57/185101057.db2.gz KLKOYPLQTIXNBM-GDBMZVCRSA-N 0 3 277.364 1.790 40 0 CDABHN c1nnc(N2CC[C@@H]3[C@@H]2CCN3C[C@H]2CCOC2)s1 ZINC000107200899 186162978 /nfs/dbraw/zinc/16/29/78/186162978.db2.gz DOPCMFRKOYCASB-UTUOFQBUSA-N 0 3 280.397 1.228 40 0 CDABHN CC(C)c1ccc(CNC(=O)C(=O)NCCN(C)C)cc1 ZINC000408707023 356088305 /nfs/dbraw/zinc/08/83/05/356088305.db2.gz IBYBIKRMJGKCFE-UHFFFAOYSA-N 0 3 291.395 1.104 40 0 CDABHN CCc1ncc(CN2CCC[C@](C)(C(=O)NC)C2)cn1 ZINC000019745945 356498989 /nfs/dbraw/zinc/49/89/89/356498989.db2.gz UYTRBIDPWGCJIV-HNNXBMFYSA-N 0 3 276.384 1.387 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H](C)c1cnccn1 ZINC000079435833 356996782 /nfs/dbraw/zinc/99/67/82/356996782.db2.gz NMPTVPDYMDUJQB-AAEUAGOBSA-N 0 3 264.373 1.758 40 0 CDABHN CN(C)CCn1ncc2ccc(Br)cc2c1=O ZINC000095095829 366409702 /nfs/dbraw/zinc/40/97/02/366409702.db2.gz ISBPRQHDRDOKCP-UHFFFAOYSA-N 0 3 296.168 1.721 40 0 CDABHN COCCN1C(=O)C[C@H]2[C@H]1CCN2Cc1ccccc1 ZINC000096183835 358713128 /nfs/dbraw/zinc/71/31/28/358713128.db2.gz JFFHLNUPNPLJOA-CABCVRRESA-N 0 3 274.364 1.508 40 0 CDABHN COCCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1cc(C)c(C)o1 ZINC000096183870 358713276 /nfs/dbraw/zinc/71/32/76/358713276.db2.gz QYXZGXAEZBXBES-LSDHHAIUSA-N 0 3 292.379 1.718 40 0 CDABHN CC(C)n1nc(CNc2ncccn2)c2c1CN(C)CC2 ZINC000096255953 358728623 /nfs/dbraw/zinc/72/86/23/358728623.db2.gz UPGFZVPBKNUMIS-UHFFFAOYSA-N 0 3 286.383 1.854 40 0 CDABHN Cc1noc(C)c1NC(=O)C1=NO[C@]2(C1)CCCNC2 ZINC000096268195 358730710 /nfs/dbraw/zinc/73/07/10/358730710.db2.gz AMIJZNISOMRRMO-ZDUSSCGKSA-N 0 3 278.312 1.128 40 0 CDABHN Cc1n[nH]cc1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292940 358808144 /nfs/dbraw/zinc/80/81/44/358808144.db2.gz PZLFDVZPOFHWCA-BZUAXINKSA-N 0 3 287.363 1.039 40 0 CDABHN c1ccc(Cc2nsc(N3CCNCC3)n2)cc1 ZINC000117759342 359721301 /nfs/dbraw/zinc/72/13/01/359721301.db2.gz JPJDHCFEYYKORM-UHFFFAOYSA-N 0 3 260.366 1.539 40 0 CDABHN CCOC[C@H](O)CN1CC[C@H](c2ccccn2)C1 ZINC000225633606 375174842 /nfs/dbraw/zinc/17/48/42/375174842.db2.gz CSQLBMVRESQGGG-QWHCGFSZSA-N 0 3 250.342 1.268 40 0 CDABHN Cn1ncc(CNC[C@@H]2CCCO2)c1C(F)(F)F ZINC000256054056 190004856 /nfs/dbraw/zinc/00/48/56/190004856.db2.gz UTRWTRYYFAHWHR-VIFPVBQESA-N 0 3 263.263 1.708 40 0 CDABHN FC(F)(F)Cn1cc(CNC[C@H]2CCCO2)cn1 ZINC000256050506 190003392 /nfs/dbraw/zinc/00/33/92/190003392.db2.gz FGULODHIHFMCNC-SNVBAGLBSA-N 0 3 263.263 1.714 40 0 CDABHN Cc1c(CNCCN2CCOCC2)cnn1C(C)C ZINC000256052848 190004053 /nfs/dbraw/zinc/00/40/53/190004053.db2.gz OXGPFBRZHYFOGP-UHFFFAOYSA-N 0 3 266.389 1.194 40 0 CDABHN O[C@H]1CN(CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257214790 190012785 /nfs/dbraw/zinc/01/27/85/190012785.db2.gz CNLCLBXFDLPPHN-GJZGRUSLSA-N 0 3 263.337 1.291 40 0 CDABHN CC(C)(N)C(=O)N1CCC(c2cncc(Cl)n2)CC1 ZINC000257223893 190014904 /nfs/dbraw/zinc/01/49/04/190014904.db2.gz DZJZFAMMGPYTMB-UHFFFAOYSA-N 0 3 282.775 1.573 40 0 CDABHN COCC(=O)N1CCO[C@H](c2cc(N(C)C)cc(C)n2)C1 ZINC000257256351 190021785 /nfs/dbraw/zinc/02/17/85/190021785.db2.gz KLBSTSQLFBKXAD-AWEZNQCLSA-N 0 3 293.367 1.002 40 0 CDABHN COC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001172 375774941 /nfs/dbraw/zinc/77/49/41/375774941.db2.gz ZYNPKUQUMYUHDL-NWDGAFQWSA-N 0 3 289.784 1.478 40 0 CDABHN O=C(c1ccsc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257337515 190036696 /nfs/dbraw/zinc/03/66/96/190036696.db2.gz YTBWPPIWHRTXHO-VXGBXAGGSA-N 0 3 266.366 1.029 40 0 CDABHN CCOCC(=O)NCC1CCN(c2ccncc2)CC1 ZINC000070928276 379510978 /nfs/dbraw/zinc/51/09/78/379510978.db2.gz CAOMRHBYXNVAKS-UHFFFAOYSA-N 0 3 277.368 1.451 40 0 CDABHN CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390864 285022613 /nfs/dbraw/zinc/02/26/13/285022613.db2.gz LPVSUJCDRBAKRB-LBPRGKRZSA-N 0 3 299.415 1.583 40 0 CDABHN Cc1ccc2c(n1)N(C)CCN(CCN1CCCC1)C2 ZINC000096199006 256819741 /nfs/dbraw/zinc/81/97/41/256819741.db2.gz YTEGELREJKJPIU-UHFFFAOYSA-N 0 3 274.412 1.738 40 0 CDABHN CC(C)OC(=O)[C@H]1CCNC[C@@H]1NC(=O)OC(C)(C)C ZINC000096510337 390530690 /nfs/dbraw/zinc/53/06/90/390530690.db2.gz GXNVKSKNYMQVPW-QWRGUYRKSA-N 0 3 286.372 1.441 40 0 CDABHN Cc1ccc(-c2nsc(N3CCNCC3)n2)cc1 ZINC000144117405 390947032 /nfs/dbraw/zinc/94/70/32/390947032.db2.gz YSWNXLSPRXZHPT-UHFFFAOYSA-N 0 3 260.366 1.923 40 0 CDABHN COc1cc(CNC[C@@H](C)O)cc(OC)c1OC ZINC000008535058 170339126 /nfs/dbraw/zinc/33/91/26/170339126.db2.gz FKCBAZQXBSGXJL-SECBINFHSA-N 0 3 255.314 1.183 40 0 CDABHN CNCC(=O)Nc1ccc(I)cc1 ZINC000020302307 171139821 /nfs/dbraw/zinc/13/98/21/171139821.db2.gz LRIJKAMGBKFPQD-UHFFFAOYSA-N 0 3 290.104 1.449 40 0 CDABHN Cc1cc2c(cc1CN1CCC[C@@H](CO)C1)OCO2 ZINC000072397877 176395623 /nfs/dbraw/zinc/39/56/23/176395623.db2.gz PXJVUWDPNBJNIO-GFCCVEGCSA-N 0 3 263.337 1.928 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@H](N2CC(N)C2)C1 ZINC000039952025 275824122 /nfs/dbraw/zinc/82/41/22/275824122.db2.gz PFNAADUCAQFVNU-NSHDSACASA-N 0 3 255.362 1.029 40 0 CDABHN CC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418134 277968774 /nfs/dbraw/zinc/96/87/74/277968774.db2.gz HMORCFYIDHFFMX-KKUMJFAQSA-N 0 3 295.427 1.408 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)C1CCN(CCO)CC1 ZINC000079408210 278377046 /nfs/dbraw/zinc/37/70/46/278377046.db2.gz CQPWHWBESRFHGT-UHFFFAOYSA-N 0 3 284.400 1.843 40 0 CDABHN Cc1cnc(N2CCC3(C[C@@H](N(C)C)CO3)CC2)nc1 ZINC000096158620 279014632 /nfs/dbraw/zinc/01/46/32/279014632.db2.gz FMYUIHQLPBCGHT-CYBMUJFWSA-N 0 3 276.384 1.475 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079409263 279299684 /nfs/dbraw/zinc/29/96/84/279299684.db2.gz VBFPJQJIDUCNOW-GFCCVEGCSA-N 0 3 299.415 1.582 40 0 CDABHN CSCC[C@@H](N)C(=O)N1Cc2ccccc2C1 ZINC000131170589 525541717 /nfs/dbraw/zinc/54/17/17/525541717.db2.gz AHHHAAGGVNJIMM-GFCCVEGCSA-N 0 3 250.367 1.609 40 0 CDABHN c1nnc(N2CC[C@@H]3[C@@H]2CCN3CC2CC2)s1 ZINC000096055871 185077732 /nfs/dbraw/zinc/07/77/32/185077732.db2.gz WFQLNQIMVHSBHQ-MNOVXSKESA-N 0 3 250.371 1.601 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@@H]1C(=O)OCc1ccccc1 ZINC000228980742 539088590 /nfs/dbraw/zinc/08/85/90/539088590.db2.gz PFWDUAUMYWDGNJ-STQMWFEESA-N 0 3 277.320 1.081 40 0 CDABHN C[C@@H](C(=O)NCc1ccc(=O)[nH]c1)N1[C@H](C)CC[C@H]1C ZINC000164241823 361997870 /nfs/dbraw/zinc/99/78/70/361997870.db2.gz XLBGFCDFMSQSGK-UTUOFQBUSA-N 0 3 277.368 1.665 40 0 CDABHN O=C(N[C@H]1CCC[C@H](CO)C1)C1CN(C2CCCCC2)C1 ZINC000334057348 363407971 /nfs/dbraw/zinc/40/79/71/363407971.db2.gz WCSLOMZNMSSVTP-ZFWWWQNUSA-N 0 3 294.439 1.918 40 0 CDABHN CCN(CC)CCN(C)C(=O)C(=O)c1ccccc1 ZINC000001710967 355948706 /nfs/dbraw/zinc/94/87/06/355948706.db2.gz ZUYDYKDWZLWPJA-UHFFFAOYSA-N 0 3 262.353 1.670 40 0 CDABHN CCN(C(=O)CN)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079390863 356988727 /nfs/dbraw/zinc/98/87/27/356988727.db2.gz MBXNBMWPTHBVAY-UHFFFAOYSA-N 0 3 285.388 1.193 40 0 CDABHN Cc1ccsc1C(=O)N1CCN2CCC[C@@H]2C1 ZINC000027932513 357949398 /nfs/dbraw/zinc/94/93/98/357949398.db2.gz DFFZSMVMBMPKMY-LLVKDONJSA-N 0 3 250.367 1.977 40 0 CDABHN CN1c2ccccc2C2(CCN([C@@H]3CCOC3)CC2)C1=O ZINC000096161103 358711001 /nfs/dbraw/zinc/71/10/01/358711001.db2.gz UDTULECGZPIERD-CYBMUJFWSA-N 0 3 286.375 1.786 40 0 CDABHN Fc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183287 358713073 /nfs/dbraw/zinc/71/30/73/358713073.db2.gz VWPNXGVZUPGRHO-UONOGXRCSA-N 0 3 292.358 1.305 40 0 CDABHN CN1CC[C@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201947 358719136 /nfs/dbraw/zinc/71/91/36/358719136.db2.gz PPTQNOFWAPWTIY-OAHLLOKOSA-N 0 3 294.420 1.471 40 0 CDABHN COCCNCc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000013998751 358826938 /nfs/dbraw/zinc/82/69/38/358826938.db2.gz KWPKNGWSEASHKY-UHFFFAOYSA-N 0 3 260.337 1.881 40 0 CDABHN CCCCO[C@H]1C[C@H](N[C@@H]2CCN(C)C2=O)C1(C)C ZINC000095407257 360581606 /nfs/dbraw/zinc/58/16/06/360581606.db2.gz PYFLVOMQWNGHTF-AGIUHOORSA-N 0 3 268.401 1.791 40 0 CDABHN CCn1ncc2c1CNC[C@H]2COc1cccnc1 ZINC000306130967 367315142 /nfs/dbraw/zinc/31/51/42/367315142.db2.gz JTPPUVMYCSWGPH-NSHDSACASA-N 0 3 258.325 1.564 40 0 CDABHN CN1C[C@@H]2CN(C(=O)c3ccccc3)CCN2C(C)(C)C1 ZINC000253408220 373710497 /nfs/dbraw/zinc/71/04/97/373710497.db2.gz XFRLPXUYZNWSDS-OAHLLOKOSA-N 0 3 287.407 1.537 40 0 biogenic,in-vitro CDABHN CN(Cc1ccnc([C@@H]2CCCO2)n1)C1CCOCC1 ZINC000257251290 190020271 /nfs/dbraw/zinc/02/02/71/190020271.db2.gz JQCZBSBOBRWAHS-AWEZNQCLSA-N 0 3 277.368 1.939 40 0 CDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccccc2)[C@@]1(CN)COC ZINC000218025685 375778806 /nfs/dbraw/zinc/77/88/06/375778806.db2.gz CPXWCVFFZLXJNZ-MELADBBJSA-N 0 3 283.393 1.179 40 0 CDABHN CN1CCNC[C@@H]1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000257320930 190033457 /nfs/dbraw/zinc/03/34/57/190033457.db2.gz VZIVEQIACUVVLE-OAHLLOKOSA-N 0 3 288.395 1.129 40 0 CDABHN Cc1ccncc1CNCC1(C(N)=O)CCOCC1 ZINC000331046981 376479830 /nfs/dbraw/zinc/47/98/30/376479830.db2.gz VHUSZUMWTKSZIN-UHFFFAOYSA-N 0 3 263.341 1.812 40 0 CDABHN CCN(C[C@@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409164 285022672 /nfs/dbraw/zinc/02/26/72/285022672.db2.gz GRORILYWXIXELV-LBPRGKRZSA-N 0 3 299.415 1.583 40 0 CDABHN CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390866 285082777 /nfs/dbraw/zinc/08/27/77/285082777.db2.gz LPVSUJCDRBAKRB-GFCCVEGCSA-N 0 3 299.415 1.583 40 0 CDABHN CN1CCC[C@]2(CCN(C(=O)c3cscn3)C2)C1 ZINC000096215226 256825039 /nfs/dbraw/zinc/82/50/39/256825039.db2.gz RVNWPTBSTOMODB-ZDUSSCGKSA-N 0 3 265.382 1.701 40 0 CDABHN Cc1cc([C@@H]2CCCN2C)cnc1N1CCOCC1 ZINC000072219325 390623014 /nfs/dbraw/zinc/62/30/14/390623014.db2.gz ZFVUBUVXLUXHGD-AWEZNQCLSA-N 0 3 261.369 1.993 40 0 CDABHN Cc1c(Cl)c(C(=O)N2CCN[C@@H](C)[C@@H]2C)nn1C ZINC000335042612 150219569 /nfs/dbraw/zinc/21/95/69/150219569.db2.gz DINNVLZDBPGFMR-YUMQZZPRSA-N 0 3 270.764 1.204 40 0 CDABHN CC(C)N(C)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000005018092 170056131 /nfs/dbraw/zinc/05/61/31/170056131.db2.gz ZAOQEDWEXGRJGR-UHFFFAOYSA-N 0 3 265.309 1.912 40 0 CDABHN Cc1nc(CCC(N)=O)cc([C@H]2CCCN2C(C)C)n1 ZINC000072366558 176381881 /nfs/dbraw/zinc/38/18/81/176381881.db2.gz IEDDUQVLUGAFLT-CQSZACIVSA-N 0 3 276.384 1.748 40 0 CDABHN CCN(CC)CC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000077634726 177289266 /nfs/dbraw/zinc/28/92/66/177289266.db2.gz ZPLYDLXNORQQSQ-GFCCVEGCSA-N 0 3 286.322 1.456 40 0 CDABHN CN(CCO)CCC(=O)Nc1ccc(Cl)cc1F ZINC000078406527 177338753 /nfs/dbraw/zinc/33/87/53/177338753.db2.gz SURDIXZIJZPZOE-UHFFFAOYSA-N 0 3 274.723 1.732 40 0 CDABHN CN1CCN([C@@H]2CCCc3ccccc3[C@H]2O)CC1 ZINC000019366346 277111031 /nfs/dbraw/zinc/11/10/31/277111031.db2.gz PKTNMCFYIQOHGV-HZPDHXFCSA-N 0 3 260.381 1.672 40 0 CDABHN CC(C)Nc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717639 333175896 /nfs/dbraw/zinc/17/58/96/333175896.db2.gz LWOQNIGZBXSTCM-UHFFFAOYSA-N 0 3 274.372 1.673 40 0 CDABHN c1coc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)c1 ZINC000096053981 185076337 /nfs/dbraw/zinc/07/63/37/185076337.db2.gz SGMISRRRSGHPNK-CHWSQXEVSA-N 0 3 270.336 1.638 40 0 CDABHN CCOc1ncnc2c1CCN(Cc1ccncc1)CC2 ZINC000096058763 185079590 /nfs/dbraw/zinc/07/95/90/185079590.db2.gz COFQDILYOSBUAN-UHFFFAOYSA-N 0 3 284.363 1.871 40 0 CDABHN O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1CC1CC1 ZINC000096081287 185091518 /nfs/dbraw/zinc/09/15/18/185091518.db2.gz KOYGPXBKSNQJAG-GJZGRUSLSA-N 0 3 271.364 1.667 40 0 CDABHN CN1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1 ZINC000585102452 342212559 /nfs/dbraw/zinc/21/25/59/342212559.db2.gz PMKVGSUXPXJZSI-UHFFFAOYSA-N 0 3 284.375 1.449 40 0 CDABHN CCn1nccc1CN1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000221366461 342301954 /nfs/dbraw/zinc/30/19/54/342301954.db2.gz FQDGPIADCAUKGN-DOMZBBRYSA-N 0 3 277.368 1.678 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@H]1C(=O)OCc1ccccc1 ZINC000230489051 345628885 /nfs/dbraw/zinc/62/88/85/345628885.db2.gz PFWDUAUMYWDGNJ-QWHCGFSZSA-N 0 3 277.320 1.081 40 0 CDABHN COc1cc(C(=O)NCCN(C)C)n(-c2ccccc2)n1 ZINC000227167647 356279926 /nfs/dbraw/zinc/27/99/26/356279926.db2.gz OULWPTXLAGZZNP-UHFFFAOYSA-N 0 3 288.351 1.172 40 0 CDABHN Cc1nn(C)c(C)c1CN[C@@H](CO)Cc1ccccc1 ZINC000063218458 363495039 /nfs/dbraw/zinc/49/50/39/363495039.db2.gz ZAFHHGRXJGCPKN-OAHLLOKOSA-N 0 3 273.380 1.730 40 0 CDABHN Cc1cc(N2CCNCC2)nc(-c2cccnc2)n1 ZINC000045950691 356577091 /nfs/dbraw/zinc/57/70/91/356577091.db2.gz NXKDDUCAEKIESH-UHFFFAOYSA-N 0 3 255.325 1.257 40 0 CDABHN COCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000030551574 356749550 /nfs/dbraw/zinc/74/95/50/356749550.db2.gz LNZIHUWBCUUYSW-UHFFFAOYSA-N 0 3 276.380 1.935 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391254 356987880 /nfs/dbraw/zinc/98/78/80/356987880.db2.gz QNWJMVNHRLAWEA-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CN ZINC000079390873 356988559 /nfs/dbraw/zinc/98/85/59/356988559.db2.gz JTLOYEXXSRNINJ-UHFFFAOYSA-N 0 3 299.415 1.441 40 0 CDABHN CN(C(=O)CN)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404150 356989202 /nfs/dbraw/zinc/98/92/02/356989202.db2.gz UAMBYWJSZMCXEZ-CQSZACIVSA-N 0 3 261.369 1.068 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000079409961 356992585 /nfs/dbraw/zinc/99/25/85/356992585.db2.gz HLTWTBKSJBHYQY-MNOVXSKESA-N 0 3 285.388 1.095 40 0 CDABHN CCN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079409701 356992685 /nfs/dbraw/zinc/99/26/85/356992685.db2.gz OPWPEODCDXRCOL-NSHDSACASA-N 0 3 299.415 1.582 40 0 CDABHN CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418073 356995417 /nfs/dbraw/zinc/99/54/17/356995417.db2.gz BLVZRGWIGXNXEM-ZNMIVQPWSA-N 0 3 297.443 1.654 40 0 CDABHN CCOC[C@@H]1CN(CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060094 358707371 /nfs/dbraw/zinc/70/73/71/358707371.db2.gz WLQDSCJRDKSCRH-HNNXBMFYSA-N 0 3 293.411 1.782 40 0 CDABHN Cc1occc1C(=O)N1CCC2(C[C@H](N(C)C)CO2)CC1 ZINC000096158621 358710295 /nfs/dbraw/zinc/71/02/95/358710295.db2.gz VGXKPOQGLRVFEU-ZDUSSCGKSA-N 0 3 292.379 1.913 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1cccn1C)CC2 ZINC000096158623 358710301 /nfs/dbraw/zinc/71/03/01/358710301.db2.gz URIHDYBSTVEQRF-ZDUSSCGKSA-N 0 3 291.395 1.350 40 0 CDABHN Cn1cc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cn1 ZINC000096183272 358713368 /nfs/dbraw/zinc/71/33/68/358713368.db2.gz NCAMOZYNKFWSLB-JKSUJKDBSA-N 0 3 290.411 1.105 40 0 CDABHN CN(C)CCO[C@H]1CN(Cc2ccco2)[C@@H]2COC[C@H]12 ZINC000096184982 358714315 /nfs/dbraw/zinc/71/43/15/358714315.db2.gz PMTGZLDQVVOPQL-ZNMIVQPWSA-N 0 3 280.368 1.057 40 0 CDABHN c1ncn2c1CNC[C@H](COCC1CCOCC1)C2 ZINC000096209714 358721037 /nfs/dbraw/zinc/72/10/37/358721037.db2.gz NGCQQWOTCSQLSU-ZDUSSCGKSA-N 0 3 265.357 1.046 40 0 CDABHN C[C@@H](N)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220517 359053589 /nfs/dbraw/zinc/05/35/89/359053589.db2.gz DMXPQPZHTLIOOS-SSDOTTSWSA-N 0 3 280.715 1.353 40 0 CDABHN NC[C@H]1CCN(c2ccc(C(F)(F)F)cc2)S1(=O)=O ZINC000222545804 359354160 /nfs/dbraw/zinc/35/41/60/359354160.db2.gz XFYIMVXHZLTJJU-SNVBAGLBSA-N 0 3 294.298 1.573 40 0 CDABHN COc1ccccc1OC[C@H](O)CN1CCCCC1 ZINC000000787170 364238275 /nfs/dbraw/zinc/23/82/75/364238275.db2.gz PKQZBVYYMAZUNJ-CYBMUJFWSA-N 0 3 265.353 1.921 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079409221 284193973 /nfs/dbraw/zinc/19/39/73/284193973.db2.gz PLLZKTLSVDYYFT-NEPJUHHUSA-N 0 3 299.415 1.630 40 0 CDABHN NC[C@@H](c1ccc(Br)cc1)N1CCOCC1 ZINC000019861910 374814886 /nfs/dbraw/zinc/81/48/86/374814886.db2.gz DIQWWAXKNBUECM-LBPRGKRZSA-N 0 3 285.185 1.781 40 0 CDABHN Cc1ccc(OCC[C@H](O)CN2CCN(C)CC2)cc1C ZINC000028295308 375239262 /nfs/dbraw/zinc/23/92/62/375239262.db2.gz WBYVTDDNZJEJPW-INIZCTEOSA-N 0 3 292.423 1.681 40 0 CDABHN Cc1nc(C(=O)NCC2CC2)cc([C@H]2CCCN(C)C2)n1 ZINC000257246088 190019134 /nfs/dbraw/zinc/01/91/34/190019134.db2.gz ISKUTDXWYTYUBK-ZDUSSCGKSA-N 0 3 288.395 1.734 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)C(C)(C)c2cccc(F)c2)C[C@H]1O ZINC000257308837 190031414 /nfs/dbraw/zinc/03/14/14/190031414.db2.gz TYHXWIXPJIFXIW-ZIAGYGMSSA-N 0 3 294.370 1.237 40 0 CDABHN O=C(NC[C@@H]1CCCCN1CCO)[C@H]1CCC(F)(F)C1 ZINC000331307051 376910533 /nfs/dbraw/zinc/91/05/33/376910533.db2.gz GGYBGZJRKJKPAE-RYUDHWBXSA-N 0 3 290.354 1.385 40 0 CDABHN COc1ccc([C@@H](CNC(C)=O)N2CCCC2)cc1 ZINC000046868341 378820533 /nfs/dbraw/zinc/82/05/33/378820533.db2.gz HFKGRTAPKUVQLB-OAHLLOKOSA-N 0 3 262.353 1.968 40 0 CDABHN COC[C@H]1C(=O)NCC12CCN(Cc1cccs1)CC2 ZINC000096206088 256822254 /nfs/dbraw/zinc/82/22/54/256822254.db2.gz QAXDAEYILUDVOG-ZDUSSCGKSA-N 0 3 294.420 1.723 40 0 CDABHN CC(=O)N1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216316 390620775 /nfs/dbraw/zinc/62/07/75/390620775.db2.gz PCUFVMGTENJGGR-OAHLLOKOSA-N 0 3 288.395 1.565 40 0 CDABHN CCN1CCC[C@H]1c1cccnc1N1CCN(C)CC1 ZINC000072216574 390622134 /nfs/dbraw/zinc/62/21/34/390622134.db2.gz BLNBEPWRWBDJKX-HNNXBMFYSA-N 0 3 274.412 1.990 40 0 CDABHN NC[C@@H](c1ccccc1Br)N1CCOCC1 ZINC000019510658 391478747 /nfs/dbraw/zinc/47/87/47/391478747.db2.gz QWXBRRAQWJPYBQ-LBPRGKRZSA-N 0 3 285.185 1.781 40 0 CDABHN CC(C)N(C(=O)[C@@H](C)NC[C@H]1CCCO1)C(C)C ZINC000004969159 170046873 /nfs/dbraw/zinc/04/68/73/170046873.db2.gz NCETZSSCAXGGDG-CHWSQXEVSA-N 0 3 256.390 1.789 40 0 CDABHN CN1CCC[C@H](CNC(=S)NC2CCCC2)C1 ZINC000009876471 170388438 /nfs/dbraw/zinc/38/84/38/170388438.db2.gz SJWWIKHTOLVSNK-LLVKDONJSA-N 0 3 255.431 1.735 40 0 CDABHN COc1ccc(S[C@H](C)C(=O)NCCN(C)C)cc1 ZINC000020462051 171209759 /nfs/dbraw/zinc/20/97/59/171209759.db2.gz IBGYECPSCBFANS-LLVKDONJSA-N 0 3 282.409 1.854 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000022161716 171364135 /nfs/dbraw/zinc/36/41/35/171364135.db2.gz SUUAHXZFOMJMML-SCRDCRAPSA-N 0 3 294.395 1.813 40 0 CDABHN CN([C@H]1CCCNC1)S(=O)(=O)c1ccc(F)cc1 ZINC000037540657 173262361 /nfs/dbraw/zinc/26/23/61/173262361.db2.gz FBNLUHMLHBJALB-NSHDSACASA-N 0 3 272.345 1.198 40 0 CDABHN CN[C@@H](CO)c1cc(Br)ccc1OC ZINC000038121345 174128666 /nfs/dbraw/zinc/12/86/66/174128666.db2.gz IVSLNIKPZVERDT-VIFPVBQESA-N 0 3 260.131 1.711 40 0 CDABHN CN(C)[C@@H](CNc1ccc2nnnn2n1)c1cccs1 ZINC000057369467 175595835 /nfs/dbraw/zinc/59/58/35/175595835.db2.gz WCDIDERPZSIQCB-VIFPVBQESA-N 0 3 289.368 1.296 40 0 CDABHN COCCN1CCC[C@@H]1c1cc(CCC(N)=O)cc(C)n1 ZINC000072360459 176376749 /nfs/dbraw/zinc/37/67/49/176376749.db2.gz VHRBTPDXZXHSMB-OAHLLOKOSA-N 0 3 291.395 1.591 40 0 CDABHN CCN(Cc1ccc(Br)cc1)C(=O)CN ZINC000076710925 177067809 /nfs/dbraw/zinc/06/78/09/177067809.db2.gz BSDVSPOELPDSOQ-UHFFFAOYSA-N 0 3 271.158 1.756 40 0 CDABHN CCN(C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(C)=O ZINC000079417958 177485658 /nfs/dbraw/zinc/48/56/58/177485658.db2.gz VAAAUYRMXXMZQQ-KBPBESRZSA-N 0 3 283.416 1.219 40 0 CDABHN CC[C@@H]1N(Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2 ZINC000096038491 185068927 /nfs/dbraw/zinc/06/89/27/185068927.db2.gz LJMRODXNDDYOTJ-ZFWWWQNUSA-N 0 3 276.384 1.443 40 0 CDABHN O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(CC1CC1)C2 ZINC000096058512 185078627 /nfs/dbraw/zinc/07/86/27/185078627.db2.gz AYVUXURVSBMLCQ-STQMWFEESA-N 0 3 260.337 1.836 40 0 CDABHN Cc1noc([C@H]2C[C@@H]3CCN(CC4CC4)C[C@H]3O2)n1 ZINC000096058209 185079417 /nfs/dbraw/zinc/07/94/17/185079417.db2.gz VZLLSYPDDMZIQW-YNEHKIRRSA-N 0 3 263.341 1.940 40 0 CDABHN CSCC[C@H](C)N(C)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000072666056 361820508 /nfs/dbraw/zinc/82/05/08/361820508.db2.gz AIGZIGFVSBFLBY-YNEHKIRRSA-N 0 3 288.457 1.696 40 0 CDABHN Cc1csc(CN2C[C@@H]3CN(C)CCO[C@@H]3C2)n1 ZINC000096107938 185099519 /nfs/dbraw/zinc/09/95/19/185099519.db2.gz QAOPLPAICRUOTA-NWDGAFQWSA-N 0 3 267.398 1.214 40 0 CDABHN COc1cc(-c2noc([C@H]3CCN(C)[C@@H](C)C3)n2)ncn1 ZINC000333754475 363133726 /nfs/dbraw/zinc/13/37/26/363133726.db2.gz ANXFRGQQLZYBNF-UWVGGRQHSA-N 0 3 289.339 1.733 40 0 CDABHN COCCNCCNC(=O)c1csc2ccccc12 ZINC000152329654 188010031 /nfs/dbraw/zinc/01/00/31/188010031.db2.gz VWRBKZGNHUXCHK-UHFFFAOYSA-N 0 3 278.377 1.867 40 0 CDABHN C[C@@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 ZINC000158161915 188360840 /nfs/dbraw/zinc/36/08/40/188360840.db2.gz DKNDZVLRTNWHBR-LLVKDONJSA-N 0 3 280.343 1.681 40 0 CDABHN O=c1c2cccnc2ncn1CCCN1CCCCC1 ZINC000004375917 356029351 /nfs/dbraw/zinc/02/93/51/356029351.db2.gz RDVMYEQQVGPRCL-UHFFFAOYSA-N 0 3 272.352 1.668 40 0 CDABHN O=C([O-])C[NH2+]CC1CCN(Cc2ccccc2)CC1 ZINC000079393344 356989441 /nfs/dbraw/zinc/98/94/41/356989441.db2.gz YAKYJJYQSOEHHA-UHFFFAOYSA-N 0 3 262.353 1.573 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404371 356991084 /nfs/dbraw/zinc/99/10/84/356991084.db2.gz OHVNPJOEJUILJY-JSGCOSHPSA-N 0 3 261.369 1.114 40 0 CDABHN NCC(=O)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404315 356991355 /nfs/dbraw/zinc/99/13/55/356991355.db2.gz NPGBTYVYFSQFSI-MRXNPFEDSA-N 0 3 287.407 1.601 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@H]1CCN(C(=O)CN)C1)C1CC1 ZINC000079409365 356992509 /nfs/dbraw/zinc/99/25/09/356992509.db2.gz BOBYVWJKUIZGBX-NSHDSACASA-N 0 3 297.399 1.193 40 0 CDABHN CN(C[C@@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079410944 356993850 /nfs/dbraw/zinc/99/38/50/356993850.db2.gz IJYRZGMTUFEJPH-HNNXBMFYSA-N 0 3 292.379 1.569 40 0 CDABHN CN1c2ncccc2CN(C2CCOCC2)CC[C@H]1CO ZINC000225493078 283267445 /nfs/dbraw/zinc/26/74/45/283267445.db2.gz JBINPTLURABKEK-HNNXBMFYSA-N 0 3 291.395 1.263 40 0 biogenic,in-vitro CDABHN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(C)C2)c1 ZINC000082334529 358160474 /nfs/dbraw/zinc/16/04/74/358160474.db2.gz ZXEXAKWRDSSWMC-LBPRGKRZSA-N 0 3 276.336 1.754 40 0 CDABHN CCCS(=O)(=O)C(C)C(=O)NC1CCSCC1 ZINC000060337750 358235362 /nfs/dbraw/zinc/23/53/62/358235362.db2.gz YYBGZDBJAGWAHZ-VIFPVBQESA-N 0 3 279.427 1.212 40 0 CDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccoc1)CC2 ZINC000096207625 358720422 /nfs/dbraw/zinc/72/04/22/358720422.db2.gz HGEHFHMKKHNKNB-CYBMUJFWSA-N 0 3 278.352 1.254 40 0 CDABHN O=C1[C@H]2CN(Cc3cccnc3)C[C@H]2CN1c1cccnc1 ZINC000096245177 358725825 /nfs/dbraw/zinc/72/58/25/358725825.db2.gz SUNQNMDELBBPLS-HOCLYGCPSA-N 0 3 294.358 1.571 40 0 CDABHN Cc1cnn(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)c1 ZINC000257202729 190010879 /nfs/dbraw/zinc/01/08/79/190010879.db2.gz ANBYUKOCTFKRSJ-HOCLYGCPSA-N 0 3 290.411 1.667 40 0 CDABHN CN(C)C(=O)CN1C[C@@H]2[C@@H](Cc3ccccn3)CC[C@@H]2C1 ZINC000257273927 190024987 /nfs/dbraw/zinc/02/49/87/190024987.db2.gz NIURWJKPLIFFKQ-IIAWOOMASA-N 0 3 287.407 1.670 40 0 CDABHN O=C(CN1CCC[C@@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292986 190027675 /nfs/dbraw/zinc/02/76/75/190027675.db2.gz QNSAHMBUIXDLFP-INIZCTEOSA-N 0 3 287.407 1.959 40 0 CDABHN OCCN1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257297856 190029428 /nfs/dbraw/zinc/02/94/28/190029428.db2.gz RJBNSJMOXULLLR-UHFFFAOYSA-N 0 3 299.378 1.787 40 0 CDABHN CC(C)C[C@@H](NC(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000001581738 390139711 /nfs/dbraw/zinc/13/97/11/390139711.db2.gz MXDWBAYBLVBWAW-VHSXEESVSA-N 0 3 258.362 1.206 40 0 CDABHN CC(C)N(CC(=O)NC1CCCC1)C1CCOCC1 ZINC000077323779 390946267 /nfs/dbraw/zinc/94/62/67/390946267.db2.gz ADNCWHJPMJNTPL-UHFFFAOYSA-N 0 3 268.401 1.935 40 0 CDABHN CN(C)C(=O)CO[C@H]1CSC2(CN(C3CCC3)C2)C1 ZINC000247958930 391423759 /nfs/dbraw/zinc/42/37/59/391423759.db2.gz DSKBHIVONLTNGO-GFCCVEGCSA-N 0 3 284.425 1.204 40 0 CDABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)CO)cc1 ZINC000218438881 391934135 /nfs/dbraw/zinc/93/41/35/391934135.db2.gz OWGHEIDQVFILHI-ZNMIVQPWSA-N 0 3 297.420 1.087 40 0 CDABHN CCOC(=O)C[C@]1(N)CCCN(C(=O)OC(C)(C)C)C1 ZINC000091303314 285804533 /nfs/dbraw/zinc/80/45/33/285804533.db2.gz ZSZRYZNIEKNLGN-CQSZACIVSA-N 0 3 286.372 1.668 40 0 CDABHN Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2c[nH]cn2)cc1 ZINC000072321689 176368511 /nfs/dbraw/zinc/36/85/11/176368511.db2.gz AOOONXSJZWFPJS-KLHDSHLOSA-N 0 3 287.363 1.086 40 0 biogenic,in-vitro CDABHN Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2cnc[nH]2)cc1 ZINC000072321689 176368512 /nfs/dbraw/zinc/36/85/12/176368512.db2.gz AOOONXSJZWFPJS-KLHDSHLOSA-N 0 3 287.363 1.086 40 0 biogenic,in-vitro CDABHN Cc1ccnc(NC(=O)c2cncc([C@H]3CCCN3)n2)c1 ZINC000072365648 176381341 /nfs/dbraw/zinc/38/13/41/176381341.db2.gz FCGXSWUKYCKPEZ-LLVKDONJSA-N 0 3 283.335 1.857 40 0 CDABHN OCCN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369816 176383977 /nfs/dbraw/zinc/38/39/77/176383977.db2.gz WNRPKNWHGLWFGV-LBPRGKRZSA-N 0 3 259.309 1.518 40 0 CDABHN CN1CCC[C@H](Cc2cnc(C(=O)N3CCCC3)cn2)C1 ZINC000072382862 176388147 /nfs/dbraw/zinc/38/81/47/176388147.db2.gz XYHFLLYGORLYLT-CYBMUJFWSA-N 0 3 288.395 1.597 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397604 176394991 /nfs/dbraw/zinc/39/49/91/176394991.db2.gz CRZXLNYGXHEUCK-CYZMBNFOSA-N 0 3 282.334 1.604 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 ZINC000242548230 261255411 /nfs/dbraw/zinc/25/54/11/261255411.db2.gz LEKOSKZRJNYYDN-DRZSPHRISA-N 0 3 269.389 1.018 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391241 298944462 /nfs/dbraw/zinc/94/44/62/298944462.db2.gz IZAAUNCPESBDRQ-QJPTWQEYSA-N 0 3 299.415 1.628 40 0 CDABHN c1cn(C[C@@H]2CO[C@]3(C2)COCCN(CC2CC2)C3)cn1 ZINC000096052080 185074638 /nfs/dbraw/zinc/07/46/38/185074638.db2.gz PKAXKJCIPPEIKT-CVEARBPZSA-N 0 3 291.395 1.401 40 0 CDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052269 185074742 /nfs/dbraw/zinc/07/47/42/185074742.db2.gz GDBFNEDONSWOJO-JKSUJKDBSA-N 0 3 294.395 1.591 40 0 CDABHN c1coc(CN2C[C@@H]3CN(c4ncccn4)C[C@@H]3C2)c1 ZINC000096053979 185075432 /nfs/dbraw/zinc/07/54/32/185075432.db2.gz SGMISRRRSGHPNK-BETUJISGSA-N 0 3 270.336 1.638 40 0 CDABHN C(OCC1CC1)c1nnn2c1CN(CC1CC1)CCC2 ZINC000096058855 185078763 /nfs/dbraw/zinc/07/87/63/185078763.db2.gz PVVBEUIAQXQVNP-UHFFFAOYSA-N 0 3 276.384 1.820 40 0 CDABHN CN(C)C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21 ZINC000096083113 185092613 /nfs/dbraw/zinc/09/26/13/185092613.db2.gz NTKJMOBSZMOSRC-UPJWGTAASA-N 0 3 281.425 1.542 40 0 CDABHN COCCN1CC[C@]2(C1)COCCN(Cc1ccco1)C2 ZINC000096087602 185094189 /nfs/dbraw/zinc/09/41/89/185094189.db2.gz GSHMFAQRINBXTN-MRXNPFEDSA-N 0 3 294.395 1.450 40 0 CDABHN COc1ccccc1CN1C[C@@H]2CN(C)CCO[C@@H]2C1 ZINC000096107939 185099862 /nfs/dbraw/zinc/09/98/62/185099862.db2.gz BXLJSJGHLVWLAX-GOEBONIOSA-N 0 3 276.380 1.458 40 0 CDABHN Cc1ncc(CN2CCC[C@@]3(CN(C)C3=O)C2)s1 ZINC000585099484 342212268 /nfs/dbraw/zinc/21/22/68/342212268.db2.gz NIDGDWCAJXAASO-CYBMUJFWSA-N 0 3 265.382 1.506 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(C)O ZINC000685936391 539098930 /nfs/dbraw/zinc/09/89/30/539098930.db2.gz VISKNHQIOAJQFV-MFKMUULPSA-N 0 3 258.362 1.308 40 0 CDABHN O[C@@H]1CN(Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1 ZINC000585277283 342256482 /nfs/dbraw/zinc/25/64/82/342256482.db2.gz HLEWMTPPRXAHSS-GDBMZVCRSA-N 0 3 271.364 1.835 40 0 CDABHN CCN1C[C@@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743280 345452338 /nfs/dbraw/zinc/45/23/38/345452338.db2.gz OLBQYWDGSMBIID-BXUZGUMPSA-N 0 3 276.384 1.529 40 0 CDABHN COCCCNCC(=O)Nc1cccc(Cl)c1 ZINC000001672725 355946158 /nfs/dbraw/zinc/94/61/58/355946158.db2.gz OYBADGHPGVTZIK-UHFFFAOYSA-N 0 3 256.733 1.905 40 0 CDABHN Cc1cc(=O)[nH]c([C@@H]2CCN(Cc3ccccn3)C2)n1 ZINC000019118488 356475427 /nfs/dbraw/zinc/47/54/27/356475427.db2.gz FYNJFRQLFVGBFV-GFCCVEGCSA-N 0 3 270.336 1.463 40 0 CDABHN CCN(C(=O)c1n[nH]c2c1CCC2)C1CCN(C)CC1 ZINC000019657168 356494455 /nfs/dbraw/zinc/49/44/55/356494455.db2.gz IYCPUTQPLLRACT-UHFFFAOYSA-N 0 3 276.384 1.455 40 0 CDABHN C[C@H](N)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404369 356990998 /nfs/dbraw/zinc/99/09/98/356990998.db2.gz OHVNPJOEJUILJY-GXTWGEPZSA-N 0 3 261.369 1.114 40 0 CDABHN O=C(NC[C@@H]1CCCN1CCO)OCc1ccccc1 ZINC000079410858 356993768 /nfs/dbraw/zinc/99/37/68/356993768.db2.gz PKCBVRHWEFPIIV-AWEZNQCLSA-N 0 3 278.352 1.370 40 0 CDABHN Cc1cc(CN2CC3(C2)C[C@@H](CO)CN3CC2CC2)no1 ZINC000585093981 358099955 /nfs/dbraw/zinc/09/99/55/358099955.db2.gz WDQBAUSCDGQMRI-CQSZACIVSA-N 0 3 291.395 1.262 40 0 CDABHN CCC(CC)CN1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC000096248907 358726311 /nfs/dbraw/zinc/72/63/11/358726311.db2.gz ASXQQUJQEIGLMX-CABCVRRESA-N 0 3 290.411 1.802 40 0 CDABHN Cc1cc(C)cc(CN2CC[C@@H](CN)S2(=O)=O)c1 ZINC000222538791 359351473 /nfs/dbraw/zinc/35/14/73/359351473.db2.gz USXZDEDICGKISS-ZDUSSCGKSA-N 0 3 268.382 1.166 40 0 CDABHN OC[C@H]1C[C@@H](O)CN1CCOc1ccc(Cl)c(F)c1 ZINC000225400336 374287401 /nfs/dbraw/zinc/28/74/01/374287401.db2.gz ZGRRBGYRSBKYBW-NXEZZACHSA-N 0 3 289.734 1.285 40 0 CDABHN CCCNC(=O)c1cc(C2CCN(C)CC2)nc(C)n1 ZINC000257221521 190014405 /nfs/dbraw/zinc/01/44/05/190014405.db2.gz DPKIJFYLJRTQJD-UHFFFAOYSA-N 0 3 276.384 1.734 40 0 CDABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCCCN2)cc1 ZINC000257236580 190017991 /nfs/dbraw/zinc/01/79/91/190017991.db2.gz HCVPIGAWPDLYDM-CYBMUJFWSA-N 0 3 297.362 1.639 40 0 CDABHN CCS(=O)(=O)N1CC[C@@H](c2cc(NC)cc(C)n2)C1 ZINC000257268146 190023639 /nfs/dbraw/zinc/02/36/39/190023639.db2.gz MKLATRIZUIFIGY-LLVKDONJSA-N 0 3 283.397 1.571 40 0 CDABHN Fc1ccccc1OCCc1cc([C@@H]2CNCCO2)n[nH]1 ZINC000257289948 190028051 /nfs/dbraw/zinc/02/80/51/190028051.db2.gz QAWMXMCHYAATJI-HNNXBMFYSA-N 0 3 291.326 1.831 40 0 CDABHN Cc1ncccc1C(=O)NCc1c[nH]c([C@H]2CCN(C)C2)n1 ZINC000257295580 190028115 /nfs/dbraw/zinc/02/81/15/190028115.db2.gz QYZQBTNOKFNFQH-LBPRGKRZSA-N 0 3 299.378 1.462 40 0 CDABHN Cc1cc(C)n2ncc(CN3C[C@@H]4C[C@@H](O)C[C@@H]4C3)c2n1 ZINC000257302719 190030293 /nfs/dbraw/zinc/03/02/93/190030293.db2.gz SDZNCJZKDKULTP-NHAGDIPZSA-N 0 3 286.379 1.549 40 0 CDABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCN(CCO)CCO)C2 ZINC000004416406 390153580 /nfs/dbraw/zinc/15/35/80/390153580.db2.gz OWCQIMTWVDRYOB-SQWLQELKSA-N 0 3 285.428 1.504 40 0 CDABHN O=c1c2c(nc(C3CC3)n1Cc1ccccc1)CCNC2 ZINC000096516486 390534769 /nfs/dbraw/zinc/53/47/69/390534769.db2.gz VJEMICPYHLSESX-UHFFFAOYSA-N 0 3 281.359 1.815 40 0 CDABHN O[C@H](c1ccccc1)c1ccc(N2CCNCC2)nc1 ZINC000072225511 390623200 /nfs/dbraw/zinc/62/32/00/390623200.db2.gz YFTDANIQARHXHI-MRXNPFEDSA-N 0 3 269.348 1.573 40 0 CDABHN Cc1ccc(NC(=O)C2=NO[C@]3(C2)CCCNC3)cc1 ZINC000096157265 390913344 /nfs/dbraw/zinc/91/33/44/390913344.db2.gz LUUZUQLVCFQFKL-HNNXBMFYSA-N 0 3 273.336 1.832 40 0 CDABHN Cc1ocnc1CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C ZINC000332813322 390978546 /nfs/dbraw/zinc/97/85/46/390978546.db2.gz QAOUKPKTNQHFDU-MFKMUULPSA-N 0 3 280.372 1.465 40 0 CDABHN COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@H]1CNCC2 ZINC000238323787 391678757 /nfs/dbraw/zinc/67/87/57/391678757.db2.gz XNWFUTXQCYIPOV-IINYFYTJSA-N 0 3 284.356 1.149 40 0 CDABHN CN1CCO[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000063527694 391745856 /nfs/dbraw/zinc/74/58/56/391745856.db2.gz KBXKOPPVQNWHOL-MRXNPFEDSA-N 0 3 260.381 1.983 40 0 CDABHN COc1ccc(C[C@H](N)C(=O)N2CCCCC2)cc1 ZINC000006411246 170199058 /nfs/dbraw/zinc/19/90/58/170199058.db2.gz UWBDQJUQAWOIBO-AWEZNQCLSA-N 0 3 262.353 1.578 40 0 CDABHN CC(=O)N1CCOC12CCN(Cc1ccccc1)CC2 ZINC000001726856 275770155 /nfs/dbraw/zinc/77/01/55/275770155.db2.gz PGGISUWCHITSFF-UHFFFAOYSA-N 0 3 274.364 1.857 40 0 CDABHN CN1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@@H]2C1 ZINC000096082329 277124946 /nfs/dbraw/zinc/12/49/46/277124946.db2.gz URMMTUIQHQPLMI-IUODEOHRSA-N 0 3 264.344 1.983 40 0 CDABHN N[C@H](CN1CCCC1)C(O)c1ccc2c(c1)OCCO2 ZINC001560403765 960945850 /nfs/dbraw/zinc/94/58/50/960945850.db2.gz SISSWBNENVWREY-GFCCVEGCSA-N 0 3 277.344 1.133 40 0 CDABHN CCN(C)c1ncnc2c1CCN(Cc1cccnc1)CC2 ZINC000096058797 185078718 /nfs/dbraw/zinc/07/87/18/185078718.db2.gz MJUBTAOAHIFWDU-UHFFFAOYSA-N 0 3 297.406 1.929 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N[C@@H]3C)o1 ZINC000096062197 185082267 /nfs/dbraw/zinc/08/22/67/185082267.db2.gz QDEPBMYQQWVFOF-GFCCVEGCSA-N 0 3 278.352 1.458 40 0 CDABHN CN(C)C(=O)[C@@]1(C)CN(CC2(O)CCCCCC2)CCO1 ZINC000585282922 342258486 /nfs/dbraw/zinc/25/84/86/342258486.db2.gz JTANTOXNTBKEJW-OAHLLOKOSA-N 0 3 298.427 1.251 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cnc(C)nc1)C2 ZINC000108535579 186222286 /nfs/dbraw/zinc/22/22/86/186222286.db2.gz WLDHZKNCVXTDRC-GOEBONIOSA-N 0 3 288.395 1.523 40 0 CDABHN C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCN(C)C1=O ZINC000136449177 363080433 /nfs/dbraw/zinc/08/04/33/363080433.db2.gz NNIKQRNRXYDFIM-BXUZGUMPSA-N 0 3 262.353 1.534 40 0 CDABHN CC(C)(C)[NH2+]C[C@@H](O)c1ccc([O-])c(NC=O)c1 ZINC000001869834 355953893 /nfs/dbraw/zinc/95/38/93/355953893.db2.gz BYJVBDSWJLABLE-GFCCVEGCSA-N 0 3 252.314 1.382 40 0 CDABHN O=C(CN1CCNCC1)Nc1cc(Cl)ccc1Cl ZINC000019797592 356505052 /nfs/dbraw/zinc/50/50/52/356505052.db2.gz KVBHGEBBMDARKR-UHFFFAOYSA-N 0 3 288.178 1.837 40 0 CDABHN CC(C)(C)NCc1cnc(N2CCOCC2)nc1 ZINC000048326747 356788274 /nfs/dbraw/zinc/78/82/74/356788274.db2.gz JNPFXZZHAKFKPV-UHFFFAOYSA-N 0 3 250.346 1.201 40 0 CDABHN CC(=O)N(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C(C)C ZINC000079418059 356994705 /nfs/dbraw/zinc/99/47/05/356994705.db2.gz LKMAIXYDVHIRBM-HNNXBMFYSA-N 0 3 297.443 1.465 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccc(Br)nc1)C1CC1 ZINC000079421594 356996156 /nfs/dbraw/zinc/99/61/56/356996156.db2.gz ZQEAJUCWZHXDEW-QMMMGPOBSA-N 0 3 298.184 1.682 40 0 CDABHN O=C(N1CC2(C1)C[C@@H](CO)CN2CC1CC1)C1(F)CCC1 ZINC000585093808 358098856 /nfs/dbraw/zinc/09/88/56/358098856.db2.gz GXXJPEFWDDNBRO-CYBMUJFWSA-N 0 3 296.386 1.184 40 0 CDABHN COc1cc2c(cc1OC)[C@@H](CCCO)NCC2 ZINC000004262568 358577587 /nfs/dbraw/zinc/57/75/87/358577587.db2.gz ATYQDEIGHYQNLP-GFCCVEGCSA-N 0 3 251.326 1.663 40 0 biogenic,in-vitro CDABHN Cc1ccc(CN2C[C@@H](N(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096056319 358707212 /nfs/dbraw/zinc/70/72/12/358707212.db2.gz HFVPDWVPTASRFI-KFWWJZLASA-N 0 3 264.369 1.881 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228873 358724162 /nfs/dbraw/zinc/72/41/62/358724162.db2.gz GHZDRUTXDLXSBT-INIZCTEOSA-N 0 3 292.379 1.854 40 0 CDABHN CCc1onc(C)c1NC(=O)NCC1=CCN(C)CC1 ZINC000272059725 365066660 /nfs/dbraw/zinc/06/66/60/365066660.db2.gz RZDQEGFSXFYMGE-UHFFFAOYSA-N 0 3 278.356 1.929 40 0 CDABHN c1nn(CC2CC2)c2c1[C@H](COCC1CC1)CNC2 ZINC000306140396 367314684 /nfs/dbraw/zinc/31/46/84/367314684.db2.gz USGBWJOAJQBGJI-ZDUSSCGKSA-N 0 3 261.369 1.907 40 0 CDABHN CN(Cc1cnc[nH]1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O ZINC000257211874 190012247 /nfs/dbraw/zinc/01/22/47/190012247.db2.gz CAWUCNNGJOCRKX-PMPSAXMXSA-N 0 3 287.363 1.812 40 0 CDABHN CN1CCN(Cc2ccc(F)cc2Cl)C[C@H](C(N)=O)C1 ZINC000257234620 190016625 /nfs/dbraw/zinc/01/66/25/190016625.db2.gz GUKDNHXDNBSDLH-LLVKDONJSA-N 0 3 299.777 1.328 40 0 CDABHN CN(C)Cc1c[nH]c([C@@H]2CCN(Cc3cncnc3)C2)n1 ZINC000257247087 190019590 /nfs/dbraw/zinc/01/95/90/190019590.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 0 3 286.383 1.251 40 0 CDABHN CN(C)Cc1cnc([C@@H]2CCN(Cc3cncnc3)C2)[nH]1 ZINC000257247087 190019591 /nfs/dbraw/zinc/01/95/91/190019591.db2.gz IXJKZUIYHREEDN-CYBMUJFWSA-N 0 3 286.383 1.251 40 0 CDABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)c1 ZINC000257259019 190021619 /nfs/dbraw/zinc/02/16/19/190021619.db2.gz KWLSLGCOSRXXOX-LLVKDONJSA-N 0 3 298.412 1.027 40 0 CDABHN CN1CCC[C@@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257286 190021762 /nfs/dbraw/zinc/02/17/62/190021762.db2.gz KOXHACKGDIMFTF-GFCCVEGCSA-N 0 3 276.384 1.384 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2[nH]cnc2C)cc1 ZINC000257339178 190037002 /nfs/dbraw/zinc/03/70/02/190037002.db2.gz ZAMRHGFSDAVFIE-MRXNPFEDSA-N 0 3 286.379 1.873 40 0 CDABHN CN1CCN([C@H]2CCCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000173277673 378093252 /nfs/dbraw/zinc/09/32/52/378093252.db2.gz YXFGWJBACZGQKY-AWEZNQCLSA-N 0 3 281.444 1.661 40 0 CDABHN COc1ccccc1CNC[C@H]1Cn2ccnc2CO1 ZINC000096296258 256793428 /nfs/dbraw/zinc/79/34/28/256793428.db2.gz GQKMLHRODQCEPJ-ZDUSSCGKSA-N 0 3 273.336 1.580 40 0 biogenic,in-vitro CDABHN CC(C)CN1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253204 256835852 /nfs/dbraw/zinc/83/58/52/256835852.db2.gz GACLNNYSRVOQEF-HZSPNIEDSA-N 0 3 266.385 1.354 40 0 CDABHN CN1CCC[C@@H](CNC(=S)NC2CCCC2)C1 ZINC000009876480 390195939 /nfs/dbraw/zinc/19/59/39/390195939.db2.gz SJWWIKHTOLVSNK-NSHDSACASA-N 0 3 255.431 1.735 40 0 CDABHN CC(C)Oc1ncc([C@H](CN)N2CCCCC2)cn1 ZINC000096511161 390530987 /nfs/dbraw/zinc/53/09/87/390530987.db2.gz YAVUVVFAVKLTPI-ZDUSSCGKSA-N 0 3 264.373 1.750 40 0 CDABHN COc1ccccc1C1=N[C@]2(CCCNC2)N(C)C1=O ZINC000096516447 390534590 /nfs/dbraw/zinc/53/45/90/390534590.db2.gz ZYHGYILOJVMQDQ-OAHLLOKOSA-N 0 3 273.336 1.036 40 0 CDABHN CCc1ccc([C@@H]2[C@@H](S(C)(=O)=O)[C@]2(CN)COC)cc1 ZINC000252514975 392796881 /nfs/dbraw/zinc/79/68/81/392796881.db2.gz FOVIHOKEFKTLNW-RBSFLKMASA-N 0 3 297.420 1.351 40 0 CDABHN CCN(CC)CCOC(=O)c1ccc2c(c1)OCO2 ZINC000005672154 170126175 /nfs/dbraw/zinc/12/61/75/170126175.db2.gz QTUJBQHVFCJREF-UHFFFAOYSA-N 0 3 265.309 1.914 40 0 CDABHN Cc1ccccc1O[C@H](C)C(=O)NCCN(C)C ZINC000006208022 170182847 /nfs/dbraw/zinc/18/28/47/170182847.db2.gz MEROEDXNHWJLDP-GFCCVEGCSA-N 0 3 250.342 1.440 40 0 CDABHN CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000006304931 170189961 /nfs/dbraw/zinc/18/99/61/170189961.db2.gz FHLMBSXYJBELQN-AWEZNQCLSA-N 0 3 278.352 1.481 40 0 CDABHN C[C@H](Oc1cccc(Cl)c1)C(=O)NCCN(C)C ZINC000006454346 170202486 /nfs/dbraw/zinc/20/24/86/170202486.db2.gz UFYFVTDYNMFGOB-JTQLQIEISA-N 0 3 270.760 1.785 40 0 CDABHN COC[C@@H](C)NC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000006792250 170244325 /nfs/dbraw/zinc/24/43/25/170244325.db2.gz IVFCYQSRCUEEFR-CYBMUJFWSA-N 0 3 291.395 1.445 40 0 CDABHN CN1CCC[C@@H](CNC(=O)NC2CCCCC2)C1 ZINC000009876677 170388373 /nfs/dbraw/zinc/38/83/73/170388373.db2.gz GLNGBFDLKUNTIE-LBPRGKRZSA-N 0 3 253.390 1.960 40 0 CDABHN COCCN1CCC(CNC(=O)c2cc(C)on2)CC1 ZINC000038582786 174148514 /nfs/dbraw/zinc/14/85/14/174148514.db2.gz VFFHPFUXLSFNSS-UHFFFAOYSA-N 0 3 281.356 1.071 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000040464150 174273174 /nfs/dbraw/zinc/27/31/74/174273174.db2.gz XTCINDDCXBWSAW-IUCAKERBSA-N 0 3 284.347 1.868 40 0 CDABHN COCc1cc(CC2(NCC(C)C)COC2)no1 ZINC000072321922 176369437 /nfs/dbraw/zinc/36/94/37/176369437.db2.gz BZPVEXWSIHKJGX-UHFFFAOYSA-N 0 3 254.330 1.378 40 0 biogenic,in-vitro CDABHN CN(C)Cc1cc(N(C)C)nc([C@H]2CCCN(C)C2)n1 ZINC000072352024 176374089 /nfs/dbraw/zinc/37/40/89/176374089.db2.gz OALCXHBFWSMOFH-LBPRGKRZSA-N 0 3 277.416 1.413 40 0 CDABHN O=C([C@H]1CCCN(Cc2ccncc2)C1)N1CCCC1 ZINC000072367919 176382842 /nfs/dbraw/zinc/38/28/42/176382842.db2.gz KTEUFINUROLFFJ-HNNXBMFYSA-N 0 3 273.380 1.916 40 0 CDABHN Cc1cc(C(=O)NCC(C)C)nc(C2CCN(C)CC2)n1 ZINC000072369337 176384042 /nfs/dbraw/zinc/38/40/42/176384042.db2.gz MNUUNAWHAOCQCV-UHFFFAOYSA-N 0 3 290.411 1.980 40 0 CDABHN Cn1cc(CN2CCOC[C@H](O)C2)c2ccccc21 ZINC000077266065 177247433 /nfs/dbraw/zinc/24/74/33/177247433.db2.gz JCWNGCFZWYPWJC-CYBMUJFWSA-N 0 3 260.337 1.371 40 0 biogenic,in-vitro CDABHN COCCOc1ccc(CN[C@@H]2CCC(=O)NC2)cc1 ZINC000078656917 177367222 /nfs/dbraw/zinc/36/72/22/177367222.db2.gz XSFSZNIRROPMRU-CYBMUJFWSA-N 0 3 278.352 1.080 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079391242 177475702 /nfs/dbraw/zinc/47/57/02/177475702.db2.gz IZAAUNCPESBDRQ-TUAOUCFPSA-N 0 3 299.415 1.628 40 0 CDABHN CN(Cc1ccc2c(c1)OCO2)C(=O)[C@H](N)C(C)(C)C ZINC000157585949 276988126 /nfs/dbraw/zinc/98/81/26/276988126.db2.gz MWIJYLQQAVEHNB-ZDUSSCGKSA-N 0 3 278.352 1.747 40 0 CDABHN Cc1c2c(nn1C)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398895 280260220 /nfs/dbraw/zinc/26/02/20/280260220.db2.gz JRWNPUXINJYDGC-UHFFFAOYSA-N 0 3 299.300 1.705 40 0 CDABHN Fc1ccc(-c2nsc(N3CCNCC3)n2)cc1 ZINC000216642918 398205991 /nfs/dbraw/zinc/20/59/91/398205991.db2.gz BQQZKLBOWGASRE-UHFFFAOYSA-N 0 3 264.329 1.754 40 0 CDABHN O[C@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061651 185082418 /nfs/dbraw/zinc/08/24/18/185082418.db2.gz YVFAKPPRPCZZTC-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc(F)cc2)cn1 ZINC000096061618 185082767 /nfs/dbraw/zinc/08/27/67/185082767.db2.gz ULFLVFRJVBFIPJ-JKSUJKDBSA-N 0 3 289.354 1.737 40 0 CDABHN CCN1CC[C@]2(CCCN(Cc3ccncc3)C2)C1=O ZINC000096073928 185088098 /nfs/dbraw/zinc/08/80/98/185088098.db2.gz CYOSVHNPRGGWDB-INIZCTEOSA-N 0 3 273.380 1.916 40 0 CDABHN CNc1cc([C@@H]2CCCN2C(=O)C2(N)CCCC2)ccn1 ZINC000585181499 342232725 /nfs/dbraw/zinc/23/27/25/342232725.db2.gz QRQSJLOATIAWRX-ZDUSSCGKSA-N 0 3 288.395 1.480 40 0 CDABHN c1csc(-c2nsc(N3CCNCC3)n2)c1 ZINC000145455937 362293810 /nfs/dbraw/zinc/29/38/10/362293810.db2.gz KROQVWCAQNATNQ-UHFFFAOYSA-N 0 3 252.368 1.676 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCc2ccc(F)cc2C1 ZINC000157768435 188337234 /nfs/dbraw/zinc/33/72/34/188337234.db2.gz GHMNNKKFKDWGCD-ZDUSSCGKSA-N 0 3 282.384 1.791 40 0 CDABHN CN1CCN(CCCNC(=O)C2CCCCC2)CC1 ZINC000065564657 363309836 /nfs/dbraw/zinc/30/98/36/363309836.db2.gz QVMPIHNEGHKMAH-UHFFFAOYSA-N 0 3 267.417 1.320 40 0 CDABHN COC(=O)[C@H](c1ccccc1)C1(O)CCN(C)CC1 ZINC000001671188 355946314 /nfs/dbraw/zinc/94/63/14/355946314.db2.gz GZTJNAWEAHHUMA-ZDUSSCGKSA-N 0 3 263.337 1.400 40 0 CDABHN COC(=O)CCC(CCC(=O)OC)N1CCCC1 ZINC000003847336 356010644 /nfs/dbraw/zinc/01/06/44/356010644.db2.gz RNZWTZGGXBUVIB-UHFFFAOYSA-N 0 3 257.330 1.357 40 0 CDABHN O=C(COc1ccc(Cl)cc1)N1CCCNCC1 ZINC000019407667 358503386 /nfs/dbraw/zinc/50/33/86/358503386.db2.gz BPQUWJUJPBNXCW-UHFFFAOYSA-N 0 3 268.744 1.541 40 0 CDABHN Cc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)cnn1C ZINC000019553411 356491404 /nfs/dbraw/zinc/49/14/04/356491404.db2.gz PBNBHXRUUDSMFG-HNNXBMFYSA-N 0 3 286.379 1.761 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527290 356490320 /nfs/dbraw/zinc/49/03/20/356490320.db2.gz NKBHLVZZWOPGSW-CYBMUJFWSA-N 0 3 277.368 1.694 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527279 356490851 /nfs/dbraw/zinc/49/08/51/356490851.db2.gz MPVYGZFGHNXAIP-HNNXBMFYSA-N 0 3 292.427 1.799 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000040833703 356873982 /nfs/dbraw/zinc/87/39/82/356873982.db2.gz KICCXACORHAAQH-FZMZJTMJSA-N 0 3 278.352 1.268 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404463 356990849 /nfs/dbraw/zinc/99/08/49/356990849.db2.gz FUUACBIFNCNOAE-HOCLYGCPSA-N 0 3 289.423 1.847 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079409665 356992196 /nfs/dbraw/zinc/99/21/96/356992196.db2.gz SSCBCHWPTFFJMC-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN Cc1c(CNC(=O)[C@@H](C)N2[C@@H](C)CC[C@@H]2C)cnn1C ZINC000089882975 357504380 /nfs/dbraw/zinc/50/43/80/357504380.db2.gz IPKCOFQOZAPJSF-GMXVVIOVSA-N 0 3 278.400 1.606 40 0 CDABHN CCN1CCN(CCCOc2ccc(C=O)cc2)CC1 ZINC000019798140 358143443 /nfs/dbraw/zinc/14/34/43/358143443.db2.gz LLJDWYFDJSOYEG-UHFFFAOYSA-N 0 3 276.380 1.906 40 0 CDABHN CN(C)[C@H]1COC[C@@H]2CN(Cc3nccs3)C[C@@H]21 ZINC000096186811 358714945 /nfs/dbraw/zinc/71/49/45/358714945.db2.gz SYTLPLCJWYJBJL-SRVKXCTJSA-N 0 3 267.398 1.152 40 0 CDABHN CN1CCC[C@]2(C1)CN(Cc1cccnc1)CCO2 ZINC000096268597 358730589 /nfs/dbraw/zinc/73/05/89/358730589.db2.gz FBQAAMCAWDPDOR-HNNXBMFYSA-N 0 3 261.369 1.378 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2ccccc2F)C[C@@H](C)O1 ZINC000019271903 358895010 /nfs/dbraw/zinc/89/50/10/358895010.db2.gz BINUIMUTYHIZNB-GYSYKLTISA-N 0 3 252.333 1.935 40 0 CDABHN COP(=O)(OC)[C@@]1(O)C[C@@H](C)N(C)C[C@@H]1C ZINC000031812348 359644965 /nfs/dbraw/zinc/64/49/65/359644965.db2.gz ANRNCSUBAGMGGV-AEJSXWLSSA-N 0 3 251.263 1.521 40 0 CDABHN CCOC(=O)[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987548 360578281 /nfs/dbraw/zinc/57/82/81/360578281.db2.gz HMHXGAGTKLGKGK-GXTWGEPZSA-N 0 3 297.376 1.049 40 0 CDABHN CC(=O)N[C@H](C)C1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000225532360 361043783 /nfs/dbraw/zinc/04/37/83/361043783.db2.gz SMKHIKXPBQGXJM-CJNGLKHVSA-N 0 3 298.427 1.766 40 0 CDABHN CCN1CCN(CCNC(=O)c2cccc(Cl)n2)CC1 ZINC000079050248 374764640 /nfs/dbraw/zinc/76/46/40/374764640.db2.gz YCLQJJBWGDIUIJ-UHFFFAOYSA-N 0 3 296.802 1.102 40 0 CDABHN O=C(N1CCCC1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000306135786 374970738 /nfs/dbraw/zinc/97/07/38/374970738.db2.gz PAURGSWULQWVEN-LSDHHAIUSA-N 0 3 293.411 1.387 40 0 CDABHN C[C@H]1CN(CCCCC2CCOCC2)CCN1CCO ZINC000225628789 375173721 /nfs/dbraw/zinc/17/37/21/375173721.db2.gz VVICVVZHGJASSF-HNNXBMFYSA-N 0 3 284.444 1.582 40 0 CDABHN CCN(CC)CCNCc1cnn(CC(F)(F)F)c1 ZINC000256054405 190005253 /nfs/dbraw/zinc/00/52/53/190005253.db2.gz WDGPAKBRRZEITF-UHFFFAOYSA-N 0 3 278.322 1.877 40 0 CDABHN COc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257256569 190021889 /nfs/dbraw/zinc/02/18/89/190021889.db2.gz KMANXFDQWGEDPO-HOTGVXAUSA-N 0 3 277.364 1.811 40 0 CDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)C2(CN)CN)cc1 ZINC000218396374 375827148 /nfs/dbraw/zinc/82/71/48/375827148.db2.gz CNRMZWACIZSSRP-ZIAGYGMSSA-N 0 3 296.436 1.053 40 0 CDABHN NCc1cnn(-c2ccccc2C(=O)N2CCCC2)c1 ZINC000257313615 190032192 /nfs/dbraw/zinc/03/21/92/190032192.db2.gz UTIYAPOGXAYMAY-UHFFFAOYSA-N 0 3 270.336 1.567 40 0 CDABHN CN1CCN(Cc2cccc(Cl)c2)C[C@@H](C(N)=O)C1 ZINC000257334609 190036406 /nfs/dbraw/zinc/03/64/06/190036406.db2.gz YGQOPGGAIQJDAL-LBPRGKRZSA-N 0 3 281.787 1.189 40 0 CDABHN Cc1cncc([C@@H]2CCCN(CC3(O)CCOCC3)C2)n1 ZINC000257335524 190036436 /nfs/dbraw/zinc/03/64/36/190036436.db2.gz YKNUTEVTKYJDTK-CQSZACIVSA-N 0 3 291.395 1.506 40 0 CDABHN CCn1cc(C(=O)N2CCN3CCC[C@H]3C2)c(C)n1 ZINC000001458783 377998280 /nfs/dbraw/zinc/99/82/80/377998280.db2.gz ZKZKGXIDAWIAAY-LBPRGKRZSA-N 0 3 262.357 1.132 40 0 CDABHN CCC(CC)C(=O)N1CCC2(CC1)CNCCO2 ZINC000096049032 390912280 /nfs/dbraw/zinc/91/22/80/390912280.db2.gz USIGAOXRBZGRGP-UHFFFAOYSA-N 0 3 254.374 1.404 40 0 CDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1ccoc1)C2 ZINC000096062295 390912331 /nfs/dbraw/zinc/91/23/31/390912331.db2.gz HPEQOGHBEDDPDD-INIZCTEOSA-N 0 3 294.395 1.450 40 0 CDABHN CCCc1c(O)nc(N)n1C(=O)OCc1ccccc1 ZINC000005785640 170140297 /nfs/dbraw/zinc/14/02/97/170140297.db2.gz SGDLNVXRMQKCGB-NSHDSACASA-N 0 3 275.308 1.649 40 0 CDABHN CCCC1C(=O)N=C(N)N1C(=O)OCc1ccccc1 ZINC000005785640 170140298 /nfs/dbraw/zinc/14/02/98/170140298.db2.gz SGDLNVXRMQKCGB-NSHDSACASA-N 0 3 275.308 1.649 40 0 CDABHN CCOc1c(Cl)cc(CNCCO)cc1OC ZINC000008253387 170327133 /nfs/dbraw/zinc/32/71/33/170327133.db2.gz PXPRSQRGQJHBKF-UHFFFAOYSA-N 0 3 259.733 1.829 40 0 CDABHN CCN(Cc1cccc(Br)c1)C(=O)CN ZINC000076710923 177067949 /nfs/dbraw/zinc/06/79/49/177067949.db2.gz ACMBFCSTYSONNX-UHFFFAOYSA-N 0 3 271.158 1.756 40 0 CDABHN COCCN1CC[C@@H](NCc2cccc(F)c2)C1 ZINC000078663160 177368010 /nfs/dbraw/zinc/36/80/10/177368010.db2.gz IDDJCIGWEMIYFS-CQSZACIVSA-N 0 3 252.333 1.636 40 0 CDABHN CN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390825 289703834 /nfs/dbraw/zinc/70/38/34/289703834.db2.gz WENYUFHTADEKFD-NSHDSACASA-N 0 3 285.388 1.051 40 0 CDABHN CCOC(=O)N1CCN(C(=O)CC2CCN(C)CC2)CC1 ZINC000074920954 567903494 /nfs/dbraw/zinc/90/34/94/567903494.db2.gz ZRLGWHDDSQRSIM-UHFFFAOYSA-N 0 3 297.399 1.019 40 0 CDABHN CN(C)CCNC(=O)CCCOc1ccccc1 ZINC000010111692 230370752 /nfs/dbraw/zinc/37/07/52/230370752.db2.gz LJOLASYDPTYNKL-UHFFFAOYSA-N 0 3 250.342 1.523 40 0 CDABHN CCOc1ccc([C@H](N)c2n[nH]c(C)n2)cc1OC ZINC000095534210 185007595 /nfs/dbraw/zinc/00/75/95/185007595.db2.gz LMKVMZVQXXKVPF-LBPRGKRZSA-N 0 3 262.313 1.569 40 0 CDABHN c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CC2)nc1 ZINC000096055282 342557651 /nfs/dbraw/zinc/55/76/51/342557651.db2.gz JMZBQEXKEWXMMM-RRFJBIMHSA-N 0 3 289.379 1.745 40 0 CDABHN CCN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096042836 185070130 /nfs/dbraw/zinc/07/01/30/185070130.db2.gz BLACWVBGXDASPP-IACUBPJLSA-N 0 3 275.352 1.519 40 0 CDABHN c1cn2c(n1)CNC[C@H](COCc1ccccn1)C2 ZINC000096059154 185079091 /nfs/dbraw/zinc/07/90/91/185079091.db2.gz NNCJSRDJVIMQSQ-LBPRGKRZSA-N 0 3 258.325 1.214 40 0 CDABHN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 ZINC000096064821 185084241 /nfs/dbraw/zinc/08/42/41/185084241.db2.gz YGVIFSOZHYONCK-GDBMZVCRSA-N 0 3 278.396 1.546 40 0 CDABHN C[C@H]1NC(=O)COC12CCN(Cc1cccc(F)c1)CC2 ZINC000096070242 185085250 /nfs/dbraw/zinc/08/52/50/185085250.db2.gz JUOWZTLDLKRHAL-GFCCVEGCSA-N 0 3 292.354 1.695 40 0 CDABHN CC(C)CN1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000248209766 362156716 /nfs/dbraw/zinc/15/67/16/362156716.db2.gz CQTNEZZWMZWGRU-MGPQQGTHSA-N 0 3 266.385 1.258 40 0 CDABHN CNC(=O)[C@@H]1COC[C@H]2CN(Cc3cccc(F)c3)C[C@H]21 ZINC000097953302 529911110 /nfs/dbraw/zinc/91/11/10/529911110.db2.gz XWGRCHCGKYVMOE-BPLDGKMQSA-N 0 3 292.354 1.266 40 0 CDABHN c1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000253588520 362439572 /nfs/dbraw/zinc/43/95/72/362439572.db2.gz GIIGNWXDMJMFCV-DLBZAZTESA-N 0 3 287.407 1.767 40 0 CDABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccncc1)C2 ZINC000108524996 186220882 /nfs/dbraw/zinc/22/08/82/186220882.db2.gz RYPLWUYLEKJZCE-UHFFFAOYSA-N 0 3 288.395 1.707 40 0 CDABHN Cc1c2ccccc2c(=O)n(C)c1C(=O)NCCN(C)C ZINC000001607429 355942221 /nfs/dbraw/zinc/94/22/21/355942221.db2.gz BCVKSZPWGBGKRX-UHFFFAOYSA-N 0 3 287.363 1.138 40 0 CDABHN CCN(CC)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000001677224 355946895 /nfs/dbraw/zinc/94/68/95/355946895.db2.gz VXEOMMSMNXSUPA-UHFFFAOYSA-N 0 3 282.365 1.173 40 0 CDABHN C[C@H](Sc1ccccc1)C(=O)NCCN(C)C ZINC000013674670 356352912 /nfs/dbraw/zinc/35/29/12/356352912.db2.gz SWLLBUNTFHOBPV-NSHDSACASA-N 0 3 252.383 1.845 40 0 CDABHN O=C(c1ccc(Br)cc1)N1CCCNCC1 ZINC000019679945 358502795 /nfs/dbraw/zinc/50/27/95/358502795.db2.gz PDOAIXYTNKKZKK-UHFFFAOYSA-N 0 3 283.169 1.885 40 0 CDABHN CCOc1cc(CNCCN(C)C)ccc1OC ZINC000020083545 356524997 /nfs/dbraw/zinc/52/49/97/356524997.db2.gz KLFFIHPUIXXELE-UHFFFAOYSA-N 0 3 252.358 1.745 40 0 CDABHN Cc1noc(CCC(=O)NCC(C)(C)N2CCCCC2)n1 ZINC000036748784 356880645 /nfs/dbraw/zinc/88/06/45/356880645.db2.gz NMDLWEWZZJAJOC-UHFFFAOYSA-N 0 3 294.399 1.691 40 0 CDABHN CCN(C[C@@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408017 356991419 /nfs/dbraw/zinc/99/14/19/356991419.db2.gz PSHSWLUKFFJWGA-CYBMUJFWSA-N 0 3 286.416 1.948 40 0 CDABHN C[C@H](N)C(=O)N(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000079418817 356995220 /nfs/dbraw/zinc/99/52/20/356995220.db2.gz ZJCHQHDIKKEDEN-JQWIXIFHSA-N 0 3 276.336 1.165 40 0 CDABHN COc1ccccc1OCC(=O)NC1CCN(C)CC1 ZINC000047829393 357165054 /nfs/dbraw/zinc/16/50/54/357165054.db2.gz VBEYOFXWBRWRDO-UHFFFAOYSA-N 0 3 278.352 1.284 40 0 CDABHN FC(F)(F)c1cc(N2CCNCC2)nc(C2CC2)n1 ZINC000096516920 357522349 /nfs/dbraw/zinc/52/23/49/357522349.db2.gz DSLSWDRANHRTBV-UHFFFAOYSA-N 0 3 272.274 1.782 40 0 CDABHN COc1ccc(CCNC(=O)C2CCN(C)CC2)cc1 ZINC000074707356 357923216 /nfs/dbraw/zinc/92/32/16/357923216.db2.gz XPDWIVFLDBZTHF-UHFFFAOYSA-N 0 3 276.380 1.696 40 0 CDABHN Cc1ccc(N2CCO[C@H]3CN(CC4CC4)C[C@H]32)nn1 ZINC000096054418 358707100 /nfs/dbraw/zinc/70/71/00/358707100.db2.gz OFBQQUVMUZSUFL-KGLIPLIRSA-N 0 3 274.368 1.084 40 0 CDABHN CN1C(=O)CCC[C@@]12CCCN(Cc1ccc[nH]1)C2 ZINC000096229704 358723991 /nfs/dbraw/zinc/72/39/91/358723991.db2.gz CFXFMORMJVPPRP-HNNXBMFYSA-N 0 3 261.369 1.992 40 0 CDABHN O=C1NC2(C[C@H]1c1ccccc1)CCN(CCO)CC2 ZINC000096261135 358729479 /nfs/dbraw/zinc/72/94/79/358729479.db2.gz NMTMIMHWZYLSHX-AWEZNQCLSA-N 0 3 274.364 1.117 40 0 CDABHN O=C1C[C@@H](c2ccccc2)C2(CCN(CCO)CC2)N1 ZINC000096261183 358729499 /nfs/dbraw/zinc/72/94/99/358729499.db2.gz ACWBIKMWEBFJLG-AWEZNQCLSA-N 0 3 274.364 1.117 40 0 CDABHN Brc1ccc(OC[C@H]2CNCCO2)cc1 ZINC000011587498 358734506 /nfs/dbraw/zinc/73/45/06/358734506.db2.gz VVZUZDGQSSZNCQ-LLVKDONJSA-N 0 3 272.142 1.816 40 0 CDABHN CN(C)CCN1CC[C@H]2[C@@H]1CCC(=O)N2c1cccnc1 ZINC000107205976 359016940 /nfs/dbraw/zinc/01/69/40/359016940.db2.gz SOVPUBRFFRYFHU-GJZGRUSLSA-N 0 3 288.395 1.213 40 0 CDABHN COC(=O)[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)N2 ZINC000265540576 291555679 /nfs/dbraw/zinc/55/56/79/291555679.db2.gz GLTXOTSBWAISRB-RTCCRHLQSA-N 0 3 284.356 1.147 40 0 CDABHN O=C(CNC[C@H]1CCCO1)NCc1ccc(F)cc1 ZINC000004969094 374350939 /nfs/dbraw/zinc/35/09/39/374350939.db2.gz UCDXSNOVYMPXAM-CYBMUJFWSA-N 0 3 266.316 1.211 40 0 CDABHN CN(C)CCNCc1cnn(C)c1C(F)(F)F ZINC000256053369 190005102 /nfs/dbraw/zinc/00/51/02/190005102.db2.gz RDWMADKUTYXLGW-UHFFFAOYSA-N 0 3 250.268 1.090 40 0 CDABHN Cc1cn[nH]c1[C@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC000257238624 190017928 /nfs/dbraw/zinc/01/79/28/190017928.db2.gz HLVPVYOHWJOYMK-LBPRGKRZSA-N 0 3 273.340 1.239 40 0 CDABHN CO[C@H]1CN(Cc2cnn(C)c2C)CC[C@@]12CCCO2 ZINC000257293032 190028656 /nfs/dbraw/zinc/02/86/56/190028656.db2.gz QNWLIKSVAVNDTI-GJZGRUSLSA-N 0 3 279.384 1.498 40 0 CDABHN Cc1ccnc([C@H]2CCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257328328 190034953 /nfs/dbraw/zinc/03/49/53/190034953.db2.gz XFEDIIAMEJJZOE-LBPRGKRZSA-N 0 3 274.368 1.372 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2[nH]cnc2C)cc1 ZINC000257339177 190036879 /nfs/dbraw/zinc/03/68/79/190036879.db2.gz ZAMRHGFSDAVFIE-INIZCTEOSA-N 0 3 286.379 1.873 40 0 CDABHN CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390853 285083357 /nfs/dbraw/zinc/08/33/57/285083357.db2.gz ZDFZSXKULPUVMT-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN Cc1ccccc1O[C@@H](C)C(=O)NCCN(C)C ZINC000006208020 170183022 /nfs/dbraw/zinc/18/30/22/170183022.db2.gz MEROEDXNHWJLDP-LBPRGKRZSA-N 0 3 250.342 1.440 40 0 CDABHN CCOc1ccc(CNC(C)(C)CO)cc1OC ZINC000008324674 170331527 /nfs/dbraw/zinc/33/15/27/170331527.db2.gz HXAROJPSWKKQEQ-UHFFFAOYSA-N 0 3 253.342 1.954 40 0 CDABHN Cc1cccc(NC(=O)CNCCN2CCOCC2)c1C ZINC000035311499 172122225 /nfs/dbraw/zinc/12/22/25/172122225.db2.gz VGUBRWGJARSWDZ-UHFFFAOYSA-N 0 3 291.395 1.164 40 0 CDABHN Cc1nccn1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000072355464 176374867 /nfs/dbraw/zinc/37/48/67/176374867.db2.gz JLIAPWSQPCKOQI-LBPRGKRZSA-N 0 3 257.341 1.780 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc2ccccc2n1 ZINC000072397683 176395142 /nfs/dbraw/zinc/39/51/42/176395142.db2.gz QQAMDUOCCFJGNN-XOKHGSTOSA-N 0 3 297.402 1.874 40 0 CDABHN CN1CCC(NC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000048608951 276887998 /nfs/dbraw/zinc/88/79/98/276887998.db2.gz BRJHJMMAIUHKLZ-UHFFFAOYSA-N 0 3 276.336 1.282 40 0 CDABHN CC(C)N(Cc1cccc2c1OCCO2)C(=O)[C@H](C)N ZINC000079421475 277572686 /nfs/dbraw/zinc/57/26/86/277572686.db2.gz PBRATLMNGMUJSA-NSHDSACASA-N 0 3 278.352 1.542 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCN(CCO)C1 ZINC000079408067 279299651 /nfs/dbraw/zinc/29/96/51/279299651.db2.gz HWCSAJUPKCFHAC-LBPRGKRZSA-N 0 3 272.389 1.699 40 0 CDABHN CCS(=O)(=O)N1CC[C@H]2[C@H]1CCN2CC(C)C ZINC000096055790 280015778 /nfs/dbraw/zinc/01/57/78/280015778.db2.gz NPXUQSIAROKEDY-NWDGAFQWSA-N 0 3 260.403 1.141 40 0 CDABHN Cc1nnc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257338434 327136330 /nfs/dbraw/zinc/13/63/30/327136330.db2.gz YXJYMIZPLSQURK-STQMWFEESA-N 0 3 265.357 1.861 40 0 CDABHN C[NH+](C)C[C@@H]1CO[C@@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]12 ZINC000575406706 342451857 /nfs/dbraw/zinc/45/18/57/342451857.db2.gz QQBSQOKMUMGWLL-BPLDGKMQSA-N 0 3 290.363 1.041 40 0 CDABHN c1ncc(O[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)cn1 ZINC000096055016 185076379 /nfs/dbraw/zinc/07/63/79/185076379.db2.gz GIZHOTULGCNHQK-KGLIPLIRSA-N 0 3 274.368 1.024 40 0 CDABHN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccsc1 ZINC000096056487 185077845 /nfs/dbraw/zinc/07/78/45/185077845.db2.gz CHTQCOOFLOFXLQ-ZIAGYGMSSA-N 0 3 294.420 1.960 40 0 CDABHN C[C@@H]1CN(CCCCNC(=O)c2cscn2)C[C@@H](C)O1 ZINC000083026449 178335273 /nfs/dbraw/zinc/33/52/73/178335273.db2.gz FBPYQLNMCGTBDD-VXGBXAGGSA-N 0 3 297.424 1.762 40 0 CDABHN CCOC[C@]12COC[C@H]1CN(Cc1scnc1C)C2 ZINC000096108673 185099544 /nfs/dbraw/zinc/09/95/44/185099544.db2.gz VGFMCBKHHIXDPR-TZMCWYRMSA-N 0 3 282.409 1.936 40 0 CDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(c3nc(C)no3)C2)o1 ZINC000096110034 185099554 /nfs/dbraw/zinc/09/95/54/185099554.db2.gz OGSNCPBISIFHIJ-IUODEOHRSA-N 0 3 289.335 1.679 40 0 CDABHN CO[C@H]1CCCN(C(=O)CN)[C@H]1Cc1ccccc1F ZINC000585274989 342255933 /nfs/dbraw/zinc/25/59/33/342255933.db2.gz SQQYWXCCESIRSX-KBPBESRZSA-N 0 3 280.343 1.333 40 0 CDABHN CN(C)C/C=C/C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585289787 342258804 /nfs/dbraw/zinc/25/88/04/342258804.db2.gz NSKIIYIGEWDYFW-PBJSTTKNSA-N 0 3 266.385 1.520 40 0 CDABHN CN1CCC[C@H](c2ccnc3nc(C(F)(F)F)nn32)C1 ZINC000257250797 362581172 /nfs/dbraw/zinc/58/11/72/362581172.db2.gz JOAQLSGPYBQTJS-QMMMGPOBSA-N 0 3 285.273 1.952 40 0 CDABHN CCCC12CN3CC(CCC)(CN(C1)CC3)C2=O ZINC000019502084 282630027 /nfs/dbraw/zinc/63/00/27/282630027.db2.gz FEWPWGUBRPZSCO-UHFFFAOYSA-N 0 3 250.386 1.773 40 0 CDABHN N[C@H](C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C1CCC1 ZINC000333236620 362962901 /nfs/dbraw/zinc/96/29/01/362962901.db2.gz DCBLETCAWHEMFF-CBBWQLFWSA-N 0 3 256.349 1.568 40 0 CDABHN COc1ccc(OC)c(CN(C(=O)[C@@H](C)N)C2CC2)c1 ZINC000153543261 188088087 /nfs/dbraw/zinc/08/80/87/188088087.db2.gz CTORGYKMEAVMNV-SNVBAGLBSA-N 0 3 278.352 1.542 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497862 356032667 /nfs/dbraw/zinc/03/26/67/356032667.db2.gz OFUNOGPCVYCCBD-CYBMUJFWSA-N 0 3 293.342 1.365 40 0 CDABHN Cc1nccn1CC1(O)CCN(Cc2ccncc2)CC1 ZINC000019288014 356479575 /nfs/dbraw/zinc/47/95/75/356479575.db2.gz GTEASFANDWMISG-UHFFFAOYSA-N 0 3 286.379 1.614 40 0 CDABHN Cc1cc2[nH]c(CC(=O)N(C)CCN(C)C)nc2c(C)c1 ZINC000019568364 356491924 /nfs/dbraw/zinc/49/19/24/356491924.db2.gz ORDXGWFKIITFQM-UHFFFAOYSA-N 0 3 288.395 1.742 40 0 CDABHN Cc1cc2nc(CC(=O)N(C)CCN(C)C)[nH]c2c(C)c1 ZINC000019568364 356491928 /nfs/dbraw/zinc/49/19/28/356491928.db2.gz ORDXGWFKIITFQM-UHFFFAOYSA-N 0 3 288.395 1.742 40 0 CDABHN O=C(CN1CCNCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019797593 356505560 /nfs/dbraw/zinc/50/55/60/356505560.db2.gz ZCOFYZWOQRLVSK-UHFFFAOYSA-N 0 3 288.178 1.837 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409987 356992658 /nfs/dbraw/zinc/99/26/58/356992658.db2.gz KBFUYBSJGVTIKU-RYUDHWBXSA-N 0 3 299.415 1.343 40 0 CDABHN CN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000067445973 357607743 /nfs/dbraw/zinc/60/77/43/357607743.db2.gz XYFSPKSIKKPHCS-UHFFFAOYSA-N 0 3 262.309 1.696 40 0 CDABHN CN1CCC(C(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000074707332 357923110 /nfs/dbraw/zinc/92/31/10/357923110.db2.gz LEIRIICNGPOWRC-UHFFFAOYSA-N 0 3 276.336 1.373 40 0 CDABHN CN(C)[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@H]12 ZINC000096040576 358706530 /nfs/dbraw/zinc/70/65/30/358706530.db2.gz FTVOIFUFRKKWCC-ZNMIVQPWSA-N 0 3 264.369 1.821 40 0 CDABHN Cc1cccc(Cn2c(=O)ccc3c2CCN(C)CC3)n1 ZINC000096196729 358716564 /nfs/dbraw/zinc/71/65/64/358716564.db2.gz YZJZZIIHCJDMNC-UHFFFAOYSA-N 0 3 283.375 1.630 40 0 CDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228872 358723727 /nfs/dbraw/zinc/72/37/27/358723727.db2.gz GHZDRUTXDLXSBT-MRXNPFEDSA-N 0 3 292.379 1.854 40 0 CDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 ZINC000096228870 358724202 /nfs/dbraw/zinc/72/42/02/358724202.db2.gz DWSHPBBWCOAHES-MRXNPFEDSA-N 0 3 292.379 1.854 40 0 CDABHN CN1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244280 358724807 /nfs/dbraw/zinc/72/48/07/358724807.db2.gz WROPEUSVOUHQBO-MRXNPFEDSA-N 0 3 282.347 1.642 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242498437 364519392 /nfs/dbraw/zinc/51/93/92/364519392.db2.gz HEENRMXCSKRFHD-KKUMJFAQSA-N 0 3 297.443 1.654 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250231 365044940 /nfs/dbraw/zinc/04/49/40/365044940.db2.gz ARXKOCAAFLCZJU-SOUVJXGZSA-N 0 3 297.420 1.487 40 0 CDABHN COCCN1CCC(NC(=O)c2ccccc2F)CC1 ZINC000049138607 373981820 /nfs/dbraw/zinc/98/18/20/373981820.db2.gz FUYLLMZHANEKLF-UHFFFAOYSA-N 0 3 280.343 1.666 40 0 CDABHN CN1CCNC[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306142475 374972730 /nfs/dbraw/zinc/97/27/30/374972730.db2.gz XAHIKDKYCYLTDP-CQSZACIVSA-N 0 3 285.395 1.511 40 0 CDABHN CC[C@@H](C)n1nccc1CNCCCN1CCOCC1 ZINC000256051127 190003920 /nfs/dbraw/zinc/00/39/20/190003920.db2.gz HVKNEPHKSUVMDP-CQSZACIVSA-N 0 3 280.416 1.666 40 0 CDABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccco2)c1 ZINC000257225954 190015320 /nfs/dbraw/zinc/01/53/20/190015320.db2.gz FIOPHGKNFINAID-UHFFFAOYSA-N 0 3 296.330 1.854 40 0 CDABHN CN(C)C(=O)[C@]1(C)CCCN(Cc2ccncc2)C1 ZINC000257282329 190026488 /nfs/dbraw/zinc/02/64/88/190026488.db2.gz OTHZRAJMPNWNLI-OAHLLOKOSA-N 0 3 261.369 1.772 40 0 CDABHN O=C(CN1CCC[C@H](Cc2cccnc2)C1)N1CCCC1 ZINC000257292987 190028732 /nfs/dbraw/zinc/02/87/32/190028732.db2.gz QNSAHMBUIXDLFP-MRXNPFEDSA-N 0 3 287.407 1.959 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@H](c2nccc(C)n2)C1 ZINC000257320367 190033214 /nfs/dbraw/zinc/03/32/14/190033214.db2.gz VWMFHULBYFFNRV-ZDUSSCGKSA-N 0 3 273.340 1.390 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2c[nH]cn2)cc1 ZINC000257321969 190033781 /nfs/dbraw/zinc/03/37/81/190033781.db2.gz WECDYXDNKUZSFD-OAHLLOKOSA-N 0 3 272.352 1.565 40 0 CDABHN c1ccc([C@H]2CNCCN2Cc2cncnc2)cc1 ZINC000257334253 190035931 /nfs/dbraw/zinc/03/59/31/190035931.db2.gz YFEAANBNQCMXGT-OAHLLOKOSA-N 0 3 254.337 1.623 40 0 CDABHN CC(C)N1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccc1 ZINC000067897089 377285881 /nfs/dbraw/zinc/28/58/81/377285881.db2.gz OHMCFNISVKVTDR-CABCVRRESA-N 0 3 274.364 1.507 40 0 biogenic,in-vitro CDABHN Cn1cc(N2C[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cn1 ZINC000096245238 256832073 /nfs/dbraw/zinc/83/20/73/256832073.db2.gz BBBRWJKFARNJKE-JSGCOSHPSA-N 0 3 286.335 1.108 40 0 CDABHN CCCCN[C@H]1CS(=O)(=O)C[C@@H]1Nc1ccccc1 ZINC000055112095 390488726 /nfs/dbraw/zinc/48/87/26/390488726.db2.gz YTYFYSXDNUDVKJ-KBPBESRZSA-N 0 3 282.409 1.654 40 0 CDABHN Cn1c(=O)c2c(nc1-c1ccc(F)cc1)CCNC2 ZINC000096516476 390534747 /nfs/dbraw/zinc/53/47/47/390534747.db2.gz PIBTXAFTJCKJBP-UHFFFAOYSA-N 0 3 259.284 1.232 40 0 CDABHN COC(=O)[C@]12CCN(C(=O)OC(C)(C)C)[C@@H]1CNCC2 ZINC000238323829 391678717 /nfs/dbraw/zinc/67/87/17/391678717.db2.gz XNWFUTXQCYIPOV-QMTHXVAHSA-N 0 3 284.356 1.149 40 0 CDABHN Cc1cccc2c1cnn2CCC(=O)NCCN(C)C ZINC000040769007 391985020 /nfs/dbraw/zinc/98/50/20/391985020.db2.gz QLVKDAKIOYXNJJ-UHFFFAOYSA-N 0 3 274.368 1.413 40 0 CDABHN O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CCCC1 ZINC000006423019 170200077 /nfs/dbraw/zinc/20/00/77/170200077.db2.gz MGSFDURHEMGIML-OAHLLOKOSA-N 0 3 273.380 1.916 40 0 CDABHN COc1ccc(NC(=S)NCCN(C)C)cc1OC ZINC000006948511 170258597 /nfs/dbraw/zinc/25/85/97/170258597.db2.gz PRSRTLDBKFGIFH-UHFFFAOYSA-N 0 3 283.397 1.552 40 0 CDABHN CN([C@@H]1CCCNC1)S(=O)(=O)c1ccc(F)cc1 ZINC000037540656 173262212 /nfs/dbraw/zinc/26/22/12/173262212.db2.gz FBNLUHMLHBJALB-LLVKDONJSA-N 0 3 272.345 1.198 40 0 CDABHN Brc1ccccc1OC[C@H]1CNCCO1 ZINC000070834106 176007792 /nfs/dbraw/zinc/00/77/92/176007792.db2.gz MLGKZTMZXSWHGS-SECBINFHSA-N 0 3 272.142 1.816 40 0 CDABHN CCc1nc2c(C)nn(CC)c2c(NCCN(C)C)n1 ZINC000072264819 176351882 /nfs/dbraw/zinc/35/18/82/176351882.db2.gz XPTUTSBZBNYTRW-UHFFFAOYSA-N 0 3 276.388 1.691 40 0 CDABHN Cc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)o1 ZINC000072397628 176394934 /nfs/dbraw/zinc/39/49/34/176394934.db2.gz LCVHXNSVPJGZNT-KGYLQXTDSA-N 0 3 250.342 1.227 40 0 CDABHN COCCOc1ccc(CN[C@H]2CCC(=O)NC2)cc1 ZINC000078656921 177367427 /nfs/dbraw/zinc/36/74/27/177367427.db2.gz XSFSZNIRROPMRU-ZDUSSCGKSA-N 0 3 278.352 1.080 40 0 CDABHN CC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418141 177485985 /nfs/dbraw/zinc/48/59/85/177485985.db2.gz HMORCFYIDHFFMX-ZNMIVQPWSA-N 0 3 295.427 1.408 40 0 CDABHN O=S1(=O)c2ccc(-c3cccnc3)cc2[C@H]2CNC[C@@H]21 ZINC000306124944 275032701 /nfs/dbraw/zinc/03/27/01/275032701.db2.gz CCTOPIBNKMBDMB-HIFRSBDPSA-N 0 3 286.356 1.591 40 0 CDABHN CN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079390817 289735825 /nfs/dbraw/zinc/73/58/25/289735825.db2.gz BQCWSQLPNMBZTC-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN CCN1CC(=O)NC[C@]12CCN(Cc1ccsc1)C2 ZINC000096050496 185073732 /nfs/dbraw/zinc/07/37/32/185073732.db2.gz GPNUFMCRUJBHIQ-AWEZNQCLSA-N 0 3 279.409 1.144 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C[C@@H]2C1 ZINC000096107930 185099906 /nfs/dbraw/zinc/09/99/06/185099906.db2.gz DWTGZJPBMGLRFK-SMDDNHRTSA-N 0 3 296.317 1.367 40 0 CDABHN CCN1C[C@H](C)[C@H](NC(=O)NCc2cccnc2C)C1 ZINC000623743283 345452388 /nfs/dbraw/zinc/45/23/88/345452388.db2.gz OLBQYWDGSMBIID-SMDDNHRTSA-N 0 3 276.384 1.529 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000257329547 362587084 /nfs/dbraw/zinc/58/70/84/362587084.db2.gz XKKGFXGMBLNFLO-CYBMUJFWSA-N 0 3 290.354 1.337 40 0 CDABHN CCN1C(=O)C2C(=O)N(CC)[C@H](c3ccccc3)[C@H]2C1=O ZINC000140530580 348742428 /nfs/dbraw/zinc/74/24/28/348742428.db2.gz TYMXLRIGKAVSDE-YNEHKIRRSA-N 0 3 286.331 1.211 40 0 CDABHN Cc1nn(CC(=O)NCCN2CCCC[C@@H]2C)c(C)c1C ZINC000019556635 356491161 /nfs/dbraw/zinc/49/11/61/356491161.db2.gz CAOJHVDZUKBXBZ-LBPRGKRZSA-N 0 3 292.427 1.799 40 0 CDABHN c1cnc(N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000023282666 356638732 /nfs/dbraw/zinc/63/87/32/356638732.db2.gz OCUXVCQBAWIADX-MJBXVCDLSA-N 0 3 258.369 1.787 40 0 CDABHN C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000079416035 356995332 /nfs/dbraw/zinc/99/53/32/356995332.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 0 3 276.380 1.915 40 0 CDABHN C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CC(=O)[O-])C1 ZINC000079416035 356995338 /nfs/dbraw/zinc/99/53/38/356995338.db2.gz OTXLUJPDRDTOLU-HNNXBMFYSA-N 0 3 276.380 1.915 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036092762 357270723 /nfs/dbraw/zinc/27/07/23/357270723.db2.gz NIWVOHGOFAIGBA-JMSVASOKSA-N 0 3 264.369 1.804 40 0 CDABHN Cc1cc(CNC[C@@H]2Cn3nnc(C)c3CO2)oc1C ZINC000096199165 358717075 /nfs/dbraw/zinc/71/70/75/358717075.db2.gz VELXINFBMLFLHW-CYBMUJFWSA-N 0 3 276.340 1.485 40 0 CDABHN Cn1ccc(NC(=O)[C@H](N)CC2CCCCC2)n1 ZINC000257674048 140337953 /nfs/dbraw/zinc/33/79/53/140337953.db2.gz HSYSOGKYLNGKGS-LLVKDONJSA-N 0 3 250.346 1.656 40 0 CDABHN C[C@@H](c1cccc(O)c1)N(C)C[C@@H](O)CN1CCOCC1 ZINC000305212689 364891030 /nfs/dbraw/zinc/89/10/30/364891030.db2.gz HMOSRHFGTRUENM-XJKSGUPXSA-N 0 3 294.395 1.078 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C ZINC000004476507 374316698 /nfs/dbraw/zinc/31/66/98/374316698.db2.gz NTXDKFXUCDASQF-ZDUSSCGKSA-N 0 3 289.379 1.534 40 0 CDABHN CC(=O)N[C@H](C)C1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000225532301 375159805 /nfs/dbraw/zinc/15/98/05/375159805.db2.gz SMKHIKXPBQGXJM-CZUORRHYSA-N 0 3 298.427 1.766 40 0 CDABHN Cc1nccc([C@@H]2CCCN(C(=O)C3(N)CCCC3)C2)n1 ZINC000257219545 190014140 /nfs/dbraw/zinc/01/41/40/190014140.db2.gz DHEXJSCBJIDENT-CYBMUJFWSA-N 0 3 288.395 1.763 40 0 CDABHN Cn1ccnc1-c1cnc(C2CCN(CCO)CC2)cn1 ZINC000257243302 190018254 /nfs/dbraw/zinc/01/82/54/190018254.db2.gz IGHNBWJVSDFEKI-UHFFFAOYSA-N 0 3 287.367 1.049 40 0 CDABHN COCCNCCNC(=O)c1cc(F)ccc1C ZINC000152457625 376880286 /nfs/dbraw/zinc/88/02/86/376880286.db2.gz XJIYCMCRDABRBF-UHFFFAOYSA-N 0 3 254.305 1.100 40 0 CDABHN CN(C)S(=O)(=O)c1ccc(CNC2CC2)cc1 ZINC000037573110 391573391 /nfs/dbraw/zinc/57/33/91/391573391.db2.gz BBEMMVIJNMWHFH-UHFFFAOYSA-N 0 3 254.355 1.189 40 0 CDABHN CC[C@@H]1CCCCN1C(=O)CNC[C@@H]1CCCO1 ZINC000004969104 170047110 /nfs/dbraw/zinc/04/71/10/170047110.db2.gz DQBYUQAIMHCDPL-OLZOCXBDSA-N 0 3 254.374 1.546 40 0 CDABHN Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1Cl ZINC000005251453 170080202 /nfs/dbraw/zinc/08/02/02/170080202.db2.gz ZAWBQKIWVZZKTK-UHFFFAOYSA-N 0 3 283.759 1.265 40 0 CDABHN CCOC(=O)CCNCc1ccc2c(c1)OCO2 ZINC000044288507 175159726 /nfs/dbraw/zinc/15/97/26/175159726.db2.gz LTDDEMUKVUCGEC-UHFFFAOYSA-N 0 3 251.282 1.458 40 0 CDABHN Cc1nccn1-c1cccc([C@@H]2CCCN2CCO)n1 ZINC000072355526 176375139 /nfs/dbraw/zinc/37/51/39/176375139.db2.gz COXASHUOGSTTTM-AWEZNQCLSA-N 0 3 272.352 1.705 40 0 CDABHN COCCNC(=O)CCc1cccc([C@@H]2CCCN2C)n1 ZINC000072360556 176377081 /nfs/dbraw/zinc/37/70/81/176377081.db2.gz DEWQURJDDMYYPT-HNNXBMFYSA-N 0 3 291.395 1.544 40 0 CDABHN OCCN1CCC[C@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383046 176388098 /nfs/dbraw/zinc/38/80/98/176388098.db2.gz KCRZOXYDBWSMNN-ZDUSSCGKSA-N 0 3 299.378 1.787 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(F)cc1F ZINC000072397601 176394679 /nfs/dbraw/zinc/39/46/79/176394679.db2.gz VJVHQBVGMRIQIJ-LEWSCRJBSA-N 0 3 282.334 1.604 40 0 CDABHN O=C(N1CCCC1)N1CCC[C@H](NCC2(F)CC2)C1 ZINC000556843377 290308906 /nfs/dbraw/zinc/30/89/06/290308906.db2.gz NGBYOGZUAVRFFI-LBPRGKRZSA-N 0 3 269.364 1.758 40 0 CDABHN CCNc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717582 327914909 /nfs/dbraw/zinc/91/49/09/327914909.db2.gz VDMRXZRONKOLLD-UHFFFAOYSA-N 0 3 273.340 1.472 40 0 CDABHN CCc1ccc(CN2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260752843 328063707 /nfs/dbraw/zinc/06/37/07/328063707.db2.gz ADYHZFSBVAKXDR-CYBMUJFWSA-N 0 3 268.382 1.112 40 0 CDABHN O=[N+]([O-])c1cc2c(cc1CNCCN1CCCC1)OCO2 ZINC000061030851 1167384677 /nfs/dbraw/zinc/38/46/77/1167384677.db2.gz RSNXJBMMFWCYJR-UHFFFAOYSA-N 0 3 293.323 1.509 40 0 CDABHN CCOc1ccc([C@H](N)c2n[nH]c(C)n2)cc1OCC ZINC000095534498 185006524 /nfs/dbraw/zinc/00/65/24/185006524.db2.gz QRSOISCMKRBDDS-ZDUSSCGKSA-N 0 3 276.340 1.959 40 0 CDABHN CC(C)NC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000096038671 185069685 /nfs/dbraw/zinc/06/96/85/185069685.db2.gz OTMOULVVXJTKGW-GDBMZVCRSA-N 0 3 292.379 1.785 40 0 CDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccoc2)cn1 ZINC000096061612 185082477 /nfs/dbraw/zinc/08/24/77/185082477.db2.gz SXCSTYATROYLEE-UONOGXRCSA-N 0 3 261.325 1.191 40 0 CDABHN C=CC(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096063646 185084244 /nfs/dbraw/zinc/08/42/44/185084244.db2.gz RTQLMTHPSBNXLX-OKILXGFUSA-N 0 3 257.337 1.158 40 0 CDABHN CCn1cc(CN2CCC[C@@]3(CCC(=O)N3C)CC2)cn1 ZINC000585100089 342211807 /nfs/dbraw/zinc/21/18/07/342211807.db2.gz FLDFSLNANWYHJE-MRXNPFEDSA-N 0 3 290.411 1.880 40 0 CDABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103742 342212486 /nfs/dbraw/zinc/21/24/86/342212486.db2.gz FRRIFZSIHZZOKI-QGZVFWFLSA-N 0 3 288.391 1.676 40 0 CDABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC000585104381 342212956 /nfs/dbraw/zinc/21/29/56/342212956.db2.gz LNPXPFJIIOKYOC-KRWDZBQOSA-N 0 3 288.391 1.676 40 0 CDABHN Cc1n[nH]cc1-c1cncc([C@H]2CCCN(C)C2)n1 ZINC000585180215 342232589 /nfs/dbraw/zinc/23/25/89/342232589.db2.gz FZARQOQNABVXTP-NSHDSACASA-N 0 3 257.341 1.984 40 0 CDABHN Cc1nc(-c2nccn2C)cc([C@@H]2CCCN(C)C2)n1 ZINC000585178843 342232712 /nfs/dbraw/zinc/23/27/12/342232712.db2.gz OAGPRNUHIACEME-GFCCVEGCSA-N 0 3 271.368 1.995 40 0 CDABHN COC[C@@]1(CC(N)=O)CCCN1Cc1ccccc1F ZINC000585275249 342256090 /nfs/dbraw/zinc/25/60/90/342256090.db2.gz BBKQCCGVJZUCJX-HNNXBMFYSA-N 0 3 280.343 1.682 40 0 CDABHN O[C@@H]1COC[C@@H](CNCc2ccc3ccccc3c2)[C@@H]1O ZINC000585286997 342258676 /nfs/dbraw/zinc/25/86/76/342258676.db2.gz QIZSDYZVXSGHLK-ZACQAIPSSA-N 0 3 287.359 1.298 40 0 CDABHN Cc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096058590 282225331 /nfs/dbraw/zinc/22/53/31/282225331.db2.gz CCPOGFYQIDJVNA-UHFFFAOYSA-N 0 3 257.341 1.119 40 0 CDABHN C[C@@H](C(=O)NCc1ncc[nH]1)N1CCCCCC1 ZINC000081385797 362211545 /nfs/dbraw/zinc/21/15/45/362211545.db2.gz CBCBLJNQLGJSTP-NSHDSACASA-N 0 3 250.346 1.290 40 0 CDABHN CCOC(=O)c1cnc(CN)c2c(OC)cc(OC)cc12 ZINC000000008765 355879988 /nfs/dbraw/zinc/87/99/88/355879988.db2.gz YWERKLDMXHCBDE-UHFFFAOYSA-N 0 3 290.319 1.887 40 0 CDABHN CCN(C(=O)[C@H](C)N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391256 356988550 /nfs/dbraw/zinc/98/85/50/356988550.db2.gz WBXNWXQLDNWTAD-NSHDSACASA-N 0 3 299.415 1.582 40 0 CDABHN CC(C)(C)OC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000056513721 357344302 /nfs/dbraw/zinc/34/43/02/357344302.db2.gz KPAUBBHJUPFJJV-LLVKDONJSA-N 0 3 258.362 1.358 40 0 CDABHN CC(C)N1CCC[C@@H](c2cnc(N3CCOCC3)cn2)C1 ZINC000072364848 357830822 /nfs/dbraw/zinc/83/08/22/357830822.db2.gz VPTIORFCROQAMX-CQSZACIVSA-N 0 3 290.411 1.901 40 0 CDABHN CC(C)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079391106 358069331 /nfs/dbraw/zinc/06/93/31/358069331.db2.gz NMYZULRPSWLFBY-LBPRGKRZSA-N 0 3 299.415 1.439 40 0 CDABHN CCN(C(=O)CN)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404201 358068758 /nfs/dbraw/zinc/06/87/58/358068758.db2.gz CBZPZNLXYFLTGC-OAHLLOKOSA-N 0 3 275.396 1.458 40 0 CDABHN CN1CCOC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228720 358724030 /nfs/dbraw/zinc/72/40/30/358724030.db2.gz XNKMCPGOWJARBL-MRXNPFEDSA-N 0 3 289.379 1.266 40 0 CDABHN C[C@H](NCCN(C)C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000230024205 375299341 /nfs/dbraw/zinc/29/93/41/375299341.db2.gz YKTYQTJPTLNLGO-XQQFMLRXSA-N 0 3 255.406 1.031 40 0 CDABHN Cc1n[nH]cc1CN1CC[C@@H](c2nc(CN(C)C)c[nH]2)C1 ZINC000257239895 190017680 /nfs/dbraw/zinc/01/76/80/190017680.db2.gz HRHCLDOUXBYMMZ-GFCCVEGCSA-N 0 3 288.399 1.492 40 0 CDABHN CN(C)Cc1c[nH]c([C@H]2CCN(Cc3cncnc3)C2)n1 ZINC000257247088 190019686 /nfs/dbraw/zinc/01/96/86/190019686.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 0 3 286.383 1.251 40 0 CDABHN CN(C)Cc1cnc([C@H]2CCN(Cc3cncnc3)C2)[nH]1 ZINC000257247088 190019687 /nfs/dbraw/zinc/01/96/87/190019687.db2.gz IXJKZUIYHREEDN-ZDUSSCGKSA-N 0 3 286.383 1.251 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2ccccc2)C1 ZINC000257248109 190019992 /nfs/dbraw/zinc/01/99/92/190019992.db2.gz JCDLILDSSVNRBO-MRXNPFEDSA-N 0 3 276.380 1.144 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@@]1(CN)COC ZINC000218025422 375779161 /nfs/dbraw/zinc/77/91/61/375779161.db2.gz CPXWCVFFZLXJNZ-MGPQQGTHSA-N 0 3 283.393 1.179 40 0 CDABHN CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCCCN1 ZINC000257285113 190027378 /nfs/dbraw/zinc/02/73/78/190027378.db2.gz PFSLVTYEVAYYFK-LLVKDONJSA-N 0 3 273.340 1.246 40 0 CDABHN CCN1CCC(NC(=O)c2cc(C)n(C(F)F)n2)CC1 ZINC000002732974 378051243 /nfs/dbraw/zinc/05/12/43/378051243.db2.gz QNCLEPGJBLDTCT-UHFFFAOYSA-N 0 3 286.326 1.801 40 0 CDABHN Nc1cc(Cl)c(N(CCO)C2=NCCN2)c(Cl)c1 ZINC000001579880 390139196 /nfs/dbraw/zinc/13/91/96/390139196.db2.gz GQQYWMAVGGTVAE-UHFFFAOYSA-N 0 3 289.166 1.334 40 0 CDABHN CCN(CC)C(=O)[C@H]1CCCN1[C@@H](CN)C(F)(F)F ZINC000096529448 390540915 /nfs/dbraw/zinc/54/09/15/390540915.db2.gz AKCHINCQNYUUKT-ZJUUUORDSA-N 0 3 281.322 1.209 40 0 CDABHN C/C=C/C(=O)N1CCCSC[C@@H]1CN1CCCC1 ZINC000085473154 391482704 /nfs/dbraw/zinc/48/27/04/391482704.db2.gz NEGKQGQBHBOVEP-NHEDYWLLSA-N 0 3 268.426 1.992 40 0 CDABHN CSc1ncc(CNCCCN2CCOCC2)cn1 ZINC000062718335 391574886 /nfs/dbraw/zinc/57/48/86/391574886.db2.gz SVHMDSSLXJNCNZ-UHFFFAOYSA-N 0 3 282.413 1.010 40 0 CDABHN Cc1ccccc1CNC[C@H]1Cn2ccnc2CO1 ZINC000096296264 393174064 /nfs/dbraw/zinc/17/40/64/393174064.db2.gz QQXIMLJFIONOGF-AWEZNQCLSA-N 0 3 257.337 1.880 40 0 biogenic,in-vitro CDABHN COCCN[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000004969269 170047076 /nfs/dbraw/zinc/04/70/76/170047076.db2.gz PJBGEEKZGBIYMU-LLVKDONJSA-N 0 3 262.353 1.738 40 0 CDABHN CCOc1ccc(CNC[C@@H](C)O)cc1OCC ZINC000008324887 170331225 /nfs/dbraw/zinc/33/12/25/170331225.db2.gz JNOLGWYXRSMQTC-LLVKDONJSA-N 0 3 253.342 1.954 40 0 CDABHN COCCOc1cc(-c2noc([C@@H]3CCCN3)n2)ccn1 ZINC000035424842 172193494 /nfs/dbraw/zinc/19/34/94/172193494.db2.gz MYWUDWTZDRPJRX-NSHDSACASA-N 0 3 290.323 1.581 40 0 biogenic,in-vitro CDABHN CCS(=O)(=O)N1CCC2(CC1)CNCc1ccccc12 ZINC000096157335 260563833 /nfs/dbraw/zinc/56/38/33/260563833.db2.gz QOUWRPKIAIQYPJ-UHFFFAOYSA-N 0 3 294.420 1.473 40 0 CDABHN CC(C)Nc1ncc(CNC[C@H]2CCCO2)cn1 ZINC000062717610 262302371 /nfs/dbraw/zinc/30/23/71/262302371.db2.gz MOJOZSNEGCXJIY-GFCCVEGCSA-N 0 3 250.346 1.566 40 0 CDABHN CC(C)(C)OC(=O)N1CCC[C@@H](N2CC(N)C2)C1 ZINC000039952026 275823957 /nfs/dbraw/zinc/82/39/57/275823957.db2.gz PFNAADUCAQFVNU-LLVKDONJSA-N 0 3 255.362 1.029 40 0 CDABHN CC(=O)N(C[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C(C)C ZINC000079418051 276951269 /nfs/dbraw/zinc/95/12/69/276951269.db2.gz HPOQILBCDIDLIW-GJZGRUSLSA-N 0 3 297.443 1.465 40 0 CDABHN O=C([C@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1)N1CCCCO1 ZINC000096042877 280149654 /nfs/dbraw/zinc/14/96/54/280149654.db2.gz BPTZUHJURJYKCF-NWANDNLSSA-N 0 3 294.395 1.572 40 0 CDABHN Cc1cn[nH]c1[C@@H]1COCCN1C1CCOCC1 ZINC000257250294 302329688 /nfs/dbraw/zinc/32/96/88/302329688.db2.gz JLXVSDLDBMJCBO-LBPRGKRZSA-N 0 3 251.330 1.270 40 0 CDABHN CNC(=O)[C@H]1CN(C(C)C)CCN1Cc1ccccc1 ZINC000248037643 334293816 /nfs/dbraw/zinc/29/38/16/334293816.db2.gz ZLGDQZYGPPOKDH-OAHLLOKOSA-N 0 3 275.396 1.327 40 0 CDABHN COc1cccc(C(=O)NCCCN2CCN(C)CC2)c1 ZINC000022829324 525816881 /nfs/dbraw/zinc/81/68/81/525816881.db2.gz GWNLDSCPSDEBFD-UHFFFAOYSA-N 0 3 291.395 1.063 40 0 CDABHN CN(C)CCN1CCO[C@H]2CN(Cc3cccs3)C[C@H]21 ZINC000096054294 185075707 /nfs/dbraw/zinc/07/57/07/185075707.db2.gz XYJDMCLLCOKZOP-CABCVRRESA-N 0 3 295.452 1.195 40 0 CDABHN CN(C)C(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 ZINC000096057597 185077929 /nfs/dbraw/zinc/07/79/29/185077929.db2.gz KGHDYBJUGZNMBG-IACUBPJLSA-N 0 3 294.420 1.816 40 0 CDABHN CN(C)C[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2O1 ZINC000096056655 185078016 /nfs/dbraw/zinc/07/80/16/185078016.db2.gz JUGHDZNUQGHSHW-BMFZPTHFSA-N 0 3 278.371 1.977 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096108621 185099401 /nfs/dbraw/zinc/09/94/01/185099401.db2.gz FIRPUDSVIFFFDP-UKRRQHHQSA-N 0 3 265.328 1.921 40 0 CDABHN CC(C)(C)OC(=O)N1CCC(Cn2cc(CN)nn2)CC1 ZINC000409428030 342168565 /nfs/dbraw/zinc/16/85/65/342168565.db2.gz YGJFEXYBRWRZEM-UHFFFAOYSA-N 0 3 295.387 1.384 40 0 CDABHN CO[C@@]1(COc2ccc(F)cc2)CCN(CCO)C1 ZINC000585273925 342256040 /nfs/dbraw/zinc/25/60/40/342256040.db2.gz GSXIQXFQGODKOK-AWEZNQCLSA-N 0 3 269.316 1.288 40 0 CDABHN CC(C)C[C@H](N)C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585286292 342258706 /nfs/dbraw/zinc/25/87/06/342258706.db2.gz WGYYPTAHIAGZOZ-AGIUHOORSA-N 0 3 268.401 1.776 40 0 CDABHN CO[C@@H]1Cn2nccc2CN(CC2CCOCC2)C1 ZINC000247819566 362133739 /nfs/dbraw/zinc/13/37/39/362133739.db2.gz COVFQHDZPJTKEP-AWEZNQCLSA-N 0 3 265.357 1.140 40 0 CDABHN Cc1nc(-c2nccn2C)cc([C@H]2CCCN2C)n1 ZINC000257331337 362587108 /nfs/dbraw/zinc/58/71/08/362587108.db2.gz XSLGDMLCPZLCBU-CYBMUJFWSA-N 0 3 257.341 1.952 40 0 CDABHN CN(C)C(=O)[C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@@H]21 ZINC000108524679 186220465 /nfs/dbraw/zinc/22/04/65/186220465.db2.gz KSZIWVAIOSDGJR-YNEHKIRRSA-N 0 3 280.393 1.426 40 0 CDABHN CCc1ccccc1O[C@H](C)C(=O)NCCN(C)C ZINC000030866119 356755502 /nfs/dbraw/zinc/75/55/02/356755502.db2.gz TXRJEZMFBDFDKG-GFCCVEGCSA-N 0 3 264.369 1.694 40 0 CDABHN CN1CCC(NC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000048608970 357193341 /nfs/dbraw/zinc/19/33/41/357193341.db2.gz LIIXDZFNCGUPTE-CQSZACIVSA-N 0 3 276.336 1.037 40 0 CDABHN CCOC[C@@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096209305 358721398 /nfs/dbraw/zinc/72/13/98/358721398.db2.gz GIMNHZGXXYLBSG-HNNXBMFYSA-N 0 3 293.411 1.828 40 0 CDABHN CC(C)c1ccc(CN2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222538991 359351755 /nfs/dbraw/zinc/35/17/55/359351755.db2.gz HKHZAULQLYMLSW-AWEZNQCLSA-N 0 3 282.409 1.673 40 0 CDABHN NC[C@H]1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)=NO1 ZINC000222552133 359353689 /nfs/dbraw/zinc/35/36/89/359353689.db2.gz RWNSEUYTLYURCU-SECBINFHSA-N 0 3 287.241 1.748 40 0 CDABHN CC(C)(N)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000236797877 361374662 /nfs/dbraw/zinc/37/46/62/361374662.db2.gz LLJJVYCUCFJTRK-JTQLQIEISA-N 0 3 291.178 1.880 40 0 CDABHN COc1cc(N2CCN[C@H](C)C2)nc(SC)n1 ZINC000079439632 374405876 /nfs/dbraw/zinc/40/58/76/374405876.db2.gz KMJGOHQGIIVISY-MRVPVSSYSA-N 0 3 254.359 1.005 40 0 CDABHN c1ccc(OCc2nnn(CCN3CCCCC3)n2)cc1 ZINC000225507520 374581641 /nfs/dbraw/zinc/58/16/41/374581641.db2.gz PVFLJXNEXRKQHT-UHFFFAOYSA-N 0 3 287.367 1.738 40 0 CDABHN CN(C)C(=O)c1cc(C[C@H]2CCCN(C)C2)ncn1 ZINC000257245324 190019636 /nfs/dbraw/zinc/01/96/36/190019636.db2.gz IOZFFGABJOVZBG-LLVKDONJSA-N 0 3 262.357 1.063 40 0 CDABHN CCOC[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217978817 375769466 /nfs/dbraw/zinc/76/94/66/375769466.db2.gz WWPMYTOKVNMVIW-OLZOCXBDSA-N 0 3 269.366 1.214 40 0 CDABHN CN(c1ccccc1)[C@@H]1COC2(C1)CCN(CCO)CC2 ZINC000257272674 190024593 /nfs/dbraw/zinc/02/45/93/190024593.db2.gz NDJVPKGCXAMKIS-INIZCTEOSA-N 0 3 290.407 1.739 40 0 CDABHN CN1CCC[C@@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316796 190032796 /nfs/dbraw/zinc/03/27/96/190032796.db2.gz VHAKYMNAYKSJHF-GFCCVEGCSA-N 0 3 274.368 1.426 40 0 CDABHN NCC(=O)N1CCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079393810 390421561 /nfs/dbraw/zinc/42/15/61/390421561.db2.gz SZWLTWOMXXCKQS-INIZCTEOSA-N 0 3 287.407 1.601 40 0 CDABHN O=CN1CCCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216315 390620598 /nfs/dbraw/zinc/62/05/98/390620598.db2.gz QCKJNJUFQWVOPR-CQSZACIVSA-N 0 3 274.368 1.175 40 0 CDABHN Cc1cc(-c2cncc(C3CCN(C)CC3)n2)n[nH]1 ZINC000257232212 391648044 /nfs/dbraw/zinc/64/80/44/391648044.db2.gz GJVZANNUMFMEGD-UHFFFAOYSA-N 0 3 257.341 1.984 40 0 CDABHN Cc1nc(NCC2CC2)nc2c1COC[C@]21CCN(C)C1 ZINC000096080398 398070327 /nfs/dbraw/zinc/07/03/27/398070327.db2.gz NSOZOWPWPDCKQC-MRXNPFEDSA-N 0 3 288.395 1.710 40 0 CDABHN CCOC(=O)C1CCN(c2ccccc2CN)CC1 ZINC000026896369 171502238 /nfs/dbraw/zinc/50/22/38/171502238.db2.gz BHUYWCARCZLZRJ-UHFFFAOYSA-N 0 3 262.353 1.925 40 0 CDABHN Clc1ccsc1CN1CCOC2(CNC2)C1 ZINC000663511960 414318058 /nfs/dbraw/zinc/31/80/58/414318058.db2.gz YAPHYNOLROGCEA-UHFFFAOYSA-N 0 3 258.774 1.576 40 0 CDABHN CCN(CC)CCNS(=O)(=O)c1cnn(C(C)C)c1 ZINC000072239298 176347571 /nfs/dbraw/zinc/34/75/71/176347571.db2.gz CZULWMXJDIWYGS-UHFFFAOYSA-N 0 3 288.417 1.084 40 0 CDABHN COCC(=O)N1CCC[C@H]1c1cc(N(C)C)cc(C)n1 ZINC000072356649 176375727 /nfs/dbraw/zinc/37/57/27/176375727.db2.gz XUPZWKGBXNVVNC-AWEZNQCLSA-N 0 3 277.368 1.766 40 0 CDABHN CNc1ncc(CN(C)CCN2CCCCC2)cn1 ZINC000072398251 176396656 /nfs/dbraw/zinc/39/66/56/176396656.db2.gz KKQJUTLJORLVKJ-UHFFFAOYSA-N 0 3 263.389 1.436 40 0 CDABHN O=C1O[C@@]2(CN1c1ccc(F)cc1)CNCCOC2 ZINC000257317594 275027311 /nfs/dbraw/zinc/02/73/11/275027311.db2.gz VKKXCRNWTRBFSH-CYBMUJFWSA-N 0 3 266.272 1.141 40 0 CDABHN CN1CCC[C@@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097371 277055262 /nfs/dbraw/zinc/05/52/62/277055262.db2.gz LCDGTXXINHMRGO-SECBINFHSA-N 0 3 251.721 1.746 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCN1C(=O)CN)C1CC1 ZINC000079409350 277178858 /nfs/dbraw/zinc/17/88/58/277178858.db2.gz GYKITJIYJNGCIM-LBPRGKRZSA-N 0 3 297.399 1.336 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(CCO)C1 ZINC000079408062 279299677 /nfs/dbraw/zinc/29/96/77/279299677.db2.gz HWCSAJUPKCFHAC-GFCCVEGCSA-N 0 3 272.389 1.699 40 0 CDABHN CCCCCNCc1cnc(N2CCOCC2)nc1 ZINC000062717759 333176041 /nfs/dbraw/zinc/17/60/41/333176041.db2.gz KHLKOZQERDJYCB-UHFFFAOYSA-N 0 3 264.373 1.593 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2cscn2)C[C@@H]2CCCO[C@H]12 ZINC000097953429 230388541 /nfs/dbraw/zinc/38/85/41/230388541.db2.gz LXXFYMQXXARRPD-UHTWSYAYSA-N 0 3 295.408 1.324 40 0 CDABHN N[C@H](c1nnc(Cn2cccn2)[nH]1)c1ccc(Cl)cc1 ZINC000095533983 185007359 /nfs/dbraw/zinc/00/73/59/185007359.db2.gz OPGRSSIDJJUONS-LBPRGKRZSA-N 0 3 288.742 1.751 40 0 CDABHN COc1ccc(CNC[C@H]2OCCc3cn(C)nc32)cc1 ZINC000096044269 185071937 /nfs/dbraw/zinc/07/19/37/185071937.db2.gz OIDOZJKGLHEMMS-OAHLLOKOSA-N 0 3 287.363 1.832 40 0 CDABHN CN1CCO[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107940 185100122 /nfs/dbraw/zinc/10/01/22/185100122.db2.gz RLRZHRUMALZIEB-MAUKXSAKSA-N 0 3 297.402 1.997 40 0 CDABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1Cn1cc(CN)nn1 ZINC000409427264 342168659 /nfs/dbraw/zinc/16/86/59/342168659.db2.gz VMPLCEZSHKWZOB-GFCCVEGCSA-N 0 3 295.387 1.526 40 0 CDABHN Cc1cc(OC[C@@]2(CC(N)=O)CNCCO2)ccc1Cl ZINC000585271757 342255844 /nfs/dbraw/zinc/25/58/44/342255844.db2.gz HFBRVLKSBXORRJ-CQSZACIVSA-N 0 3 298.770 1.261 40 0 CDABHN CCN1C[C@H]2C[C@@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000249685652 362218859 /nfs/dbraw/zinc/21/88/59/362218859.db2.gz FZLPDGULWQAWHH-JHJVBQTASA-N 0 3 261.325 1.129 40 0 CDABHN CC(=O)c1ccc(OC[C@@H](O)CN2CCCC2)cc1 ZINC000001475575 355937803 /nfs/dbraw/zinc/93/78/03/355937803.db2.gz BEARVAYTPVGXCM-AWEZNQCLSA-N 0 3 263.337 1.725 40 0 CDABHN NC(=O)CC[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000002560991 355974960 /nfs/dbraw/zinc/97/49/60/355974960.db2.gz SCBLXQAXDOWFIH-ZDUSSCGKSA-N 0 3 271.320 1.371 40 0 in-vitro CDABHN Cn1cc2c(n1)nc(N1CCNCC1)cc2C(F)(F)F ZINC000012398891 356298024 /nfs/dbraw/zinc/29/80/24/356298024.db2.gz DKVLXSSYLAOINV-UHFFFAOYSA-N 0 3 285.273 1.397 40 0 CDABHN NC(=O)[C@H](CNCc1ccccc1)NCc1ccccc1 ZINC000019365573 356483193 /nfs/dbraw/zinc/48/31/93/356483193.db2.gz HQQKBDUBEMNPQX-INIZCTEOSA-N 0 3 283.375 1.420 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)c1n[nH]c2c1CCC2 ZINC000019527287 356490679 /nfs/dbraw/zinc/49/06/79/356490679.db2.gz INMVWTHYUPKDFG-NSHDSACASA-N 0 3 276.384 1.503 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)c1cc(C2CC2)n[nH]1 ZINC000019527288 356490848 /nfs/dbraw/zinc/49/08/48/356490848.db2.gz CHGXFUTUWXSWOM-GFCCVEGCSA-N 0 3 276.384 1.891 40 0 CDABHN CN(C[C@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404140 356990010 /nfs/dbraw/zinc/99/00/10/356990010.db2.gz QHFGUARBQAPOPI-CQSZACIVSA-N 0 3 261.369 1.068 40 0 CDABHN CC(=O)N(C(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418070 356995573 /nfs/dbraw/zinc/99/55/73/356995573.db2.gz BLVZRGWIGXNXEM-KFWWJZLASA-N 0 3 297.443 1.654 40 0 CDABHN CNc1nccnc1[C@@H]1CCCN1C1CCOCC1 ZINC000072364348 357830904 /nfs/dbraw/zinc/83/09/04/357830904.db2.gz TWNURECLJDDFOV-LBPRGKRZSA-N 0 3 262.357 1.834 40 0 CDABHN Cc1cc(N2CCOCC2)nc([C@@H]2CCCN(C)C2)n1 ZINC000072364844 357830916 /nfs/dbraw/zinc/83/09/16/357830916.db2.gz FAUZZLBCIIJCFN-CYBMUJFWSA-N 0 3 276.384 1.431 40 0 CDABHN CS(=O)(=O)N1CC[C@@H]2[C@@H]1CCN2CCc1ccccc1 ZINC000096184511 358714278 /nfs/dbraw/zinc/71/42/78/358714278.db2.gz GCXHHOZWPAPRQG-CABCVRRESA-N 0 3 294.420 1.337 40 0 CDABHN CN1CC[C@@]2(C1)COCCN(C(=O)Cc1cccs1)C2 ZINC000096201946 358719474 /nfs/dbraw/zinc/71/94/74/358719474.db2.gz ASLODNBODIZTSV-HNNXBMFYSA-N 0 3 294.420 1.471 40 0 CDABHN c1ccc(OCc2nnc3n2CCN(CC2CC2)CC3)nc1 ZINC000096259200 358729009 /nfs/dbraw/zinc/72/90/09/358729009.db2.gz PHENBLIUJNVFMQ-UHFFFAOYSA-N 0 3 299.378 1.520 40 0 CDABHN Cc1noc(C)c1NC(=O)C1=NO[C@@]2(C1)CCCNC2 ZINC000096268194 358730966 /nfs/dbraw/zinc/73/09/66/358730966.db2.gz AMIJZNISOMRRMO-CYBMUJFWSA-N 0 3 278.312 1.128 40 0 CDABHN CSc1nc(Cl)cc(N2CCNC[C@@H]2C)n1 ZINC000072203128 359048257 /nfs/dbraw/zinc/04/82/57/359048257.db2.gz JECOHUSHZFYSKH-ZETCQYMHSA-N 0 3 258.778 1.650 40 0 CDABHN Cc1ccc(NC(=O)CSC2=NCCN2)c(C)c1 ZINC000026508925 370717986 /nfs/dbraw/zinc/71/79/86/370717986.db2.gz VRDMUUCIXOMOFP-UHFFFAOYSA-N 0 3 263.366 1.934 40 0 CDABHN Cc1nc(COC[C@H]2CNCc3ccnn3C2)cs1 ZINC000306143515 374972853 /nfs/dbraw/zinc/97/28/53/374972853.db2.gz YEKCCRBKRUTUDM-NSHDSACASA-N 0 3 278.381 1.584 40 0 CDABHN COC(C)(C)C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C ZINC000257218173 190014097 /nfs/dbraw/zinc/01/40/97/190014097.db2.gz DCDKPWZPKKIKQJ-JFILPPLUSA-N 0 3 280.412 1.885 40 0 CDABHN CNC(=O)c1cc(C[C@@H]2CCCN(C)C2)nc(C)n1 ZINC000257247380 190019209 /nfs/dbraw/zinc/01/92/09/190019209.db2.gz IYTRDNOHYJSUFS-NSHDSACASA-N 0 3 262.357 1.029 40 0 CDABHN CN1CCC(Cc2cncc(-c3ncc[nH]3)n2)CC1 ZINC000257296755 190028268 /nfs/dbraw/zinc/02/82/68/190028268.db2.gz REGOGFBJNSPUBC-UHFFFAOYSA-N 0 3 257.341 1.751 40 0 CDABHN Cn1cncc1-c1cncc(C2CCN(C)CC2)n1 ZINC000257306223 190031236 /nfs/dbraw/zinc/03/12/36/190031236.db2.gz STJFFFICHPQKAG-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN C[NH+]1CCC(c2ccnc([N-]c3cnccn3)n2)CC1 ZINC000257336484 190036433 /nfs/dbraw/zinc/03/64/33/190036433.db2.gz YORIGDTVOBVXNB-UHFFFAOYSA-N 0 3 270.340 1.819 40 0 CDABHN COC(=O)[C@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H](C1)N2 ZINC000265540574 291937072 /nfs/dbraw/zinc/93/70/72/291937072.db2.gz GLTXOTSBWAISRB-JGPRNRPPSA-N 0 3 284.356 1.147 40 0 CDABHN Cc1cccn2cc(C(=O)N[C@H](C)CN3CCCC3)nc12 ZINC000019718775 390228892 /nfs/dbraw/zinc/22/88/92/390228892.db2.gz PBMVFEZRJBTMHD-CYBMUJFWSA-N 0 3 286.379 1.857 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079391239 390421583 /nfs/dbraw/zinc/42/15/83/390421583.db2.gz IZAAUNCPESBDRQ-SDDRHHMPSA-N 0 3 299.415 1.628 40 0 CDABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@H](C)O ZINC000072223706 390624141 /nfs/dbraw/zinc/62/41/41/390624141.db2.gz SQEDWHSCBMRIAE-ZDUSSCGKSA-N 0 3 263.385 1.974 40 0 CDABHN C[C@@H](c1cccc(Cl)c1)N(C)CCC(=O)NC(N)=O ZINC000048580989 391478537 /nfs/dbraw/zinc/47/85/37/391478537.db2.gz NRUNZICSOXYPCE-VIFPVBQESA-N 0 3 283.759 1.918 40 0 CDABHN CCN(CC)CCNCc1cnc(NC(C)C)nc1 ZINC000062718441 392804483 /nfs/dbraw/zinc/80/44/83/392804483.db2.gz HACYRKXVLHIYLY-UHFFFAOYSA-N 0 3 265.405 1.728 40 0 CDABHN COC(=O)c1ccccc1OCCCN1CCN(C)CC1 ZINC000019360085 170776828 /nfs/dbraw/zinc/77/68/28/170776828.db2.gz SRXIICZWAHSHOR-UHFFFAOYSA-N 0 3 292.379 1.490 40 0 CDABHN CN(C)CCNCC(=O)N[C@]1(C)[C@H]2CC[C@H](C2)C1(C)C ZINC000022587058 171392893 /nfs/dbraw/zinc/39/28/93/171392893.db2.gz DIHCJCFCGAWNMT-DVOMOZLQSA-N 0 3 281.444 1.469 40 0 CDABHN CN1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 ZINC000072358297 176376103 /nfs/dbraw/zinc/37/61/03/176376103.db2.gz JAAOLXJDUMLUCX-CYBMUJFWSA-N 0 3 289.379 1.363 40 0 CDABHN Cc1ccc([C@]2(O)CCN(Cc3cnn(C)c3)C2)cc1 ZINC000072367985 176382772 /nfs/dbraw/zinc/38/27/72/176382772.db2.gz ODOKWTJOKSCPHS-INIZCTEOSA-N 0 3 271.364 1.822 40 0 CDABHN CC[C@@H](N)C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000152908017 323211593 /nfs/dbraw/zinc/21/15/93/323211593.db2.gz HXWUXXZBYJFKTF-MRVPVSSYSA-N 0 3 278.278 1.135 40 0 CDABHN [NH3+]CCC[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000081673134 482494327 /nfs/dbraw/zinc/49/43/27/482494327.db2.gz GZAQCGOPKDVRDH-UHFFFAOYSA-N 0 3 284.168 1.016 40 0 CDABHN O=C(c1ccco1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053808 185075772 /nfs/dbraw/zinc/07/57/72/185075772.db2.gz XMBFHTKSEWIBNU-KBPBESRZSA-N 0 3 297.358 1.879 40 0 CDABHN COC(C)(C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000170962549 361929986 /nfs/dbraw/zinc/92/99/86/361929986.db2.gz QXYMUYGTVGEABA-UHFFFAOYSA-N 0 3 280.368 1.991 40 0 CDABHN CC1(C)CN(C[C@H](O)Cn2cccn2)[C@@H]1[C@H]1CCCO1 ZINC000329856529 362073697 /nfs/dbraw/zinc/07/36/97/362073697.db2.gz UWQIHDXGDOXTNC-BFHYXJOUSA-N 0 3 279.384 1.133 40 0 CDABHN CO[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000154280573 188133531 /nfs/dbraw/zinc/13/35/31/188133531.db2.gz RUIVMNUILOZVJK-KBPBESRZSA-N 0 3 262.353 1.194 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1F ZINC000004497874 356032440 /nfs/dbraw/zinc/03/24/40/356032440.db2.gz RVOVRCWOQVWGCP-NSHDSACASA-N 0 3 293.342 1.365 40 0 CDABHN CCN(CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391666 356988653 /nfs/dbraw/zinc/98/86/53/356988653.db2.gz ZVVXLQXDMAQQGH-OAHLLOKOSA-N 0 3 292.379 1.712 40 0 CDABHN O=C(COc1ccccc1)N1CCN2CCC[C@H]2C1 ZINC000027932747 358612185 /nfs/dbraw/zinc/61/21/85/358612185.db2.gz DXGYHRYOWBFUIE-ZDUSSCGKSA-N 0 3 260.337 1.372 40 0 CDABHN CC[C@H](C)N1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248859 358726603 /nfs/dbraw/zinc/72/66/03/358726603.db2.gz XGFKDQCTOILSOP-UHTWSYAYSA-N 0 3 280.347 1.304 40 0 CDABHN CN1CCC(NC(=O)c2ccc(Cn3ccnc3)cc2)CC1 ZINC000224501972 359511855 /nfs/dbraw/zinc/51/18/55/359511855.db2.gz HCJJFZXCBHZQIG-UHFFFAOYSA-N 0 3 298.390 1.755 40 0 CDABHN CCO[C@H]1C[C@H](N[C@@H]2CCN(C)C2=O)C1(CC)CC ZINC000095408397 360582556 /nfs/dbraw/zinc/58/25/56/360582556.db2.gz PUUCDHAYXHDYSL-AGIUHOORSA-N 0 3 268.401 1.791 40 0 CDABHN Cc1nc(CO[C@@H]2CC[C@@H]3NCCO[C@@H]23)cs1 ZINC000306133752 374969734 /nfs/dbraw/zinc/96/97/34/374969734.db2.gz MUWLEWFQRLRQGV-QJPTWQEYSA-N 0 3 254.355 1.488 40 0 CDABHN Cc1c[nH]nc1[C@@H]1CCN(C(=O)C2CCN(C)CC2)C1 ZINC000257203548 190011819 /nfs/dbraw/zinc/01/18/19/190011819.db2.gz AQOHHGOIULIGBR-CYBMUJFWSA-N 0 3 276.384 1.376 40 0 CDABHN Cn1nccc1C(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257214510 190013338 /nfs/dbraw/zinc/01/33/38/190013338.db2.gz CMFVJXVCQUHKJO-ZFWWWQNUSA-N 0 3 276.384 1.509 40 0 CDABHN COc1ccccc1[C@@H]1CNCCN1Cc1c[nH]cn1 ZINC000257250778 190019756 /nfs/dbraw/zinc/01/97/56/190019756.db2.gz JNYXUSMPOBVMTE-AWEZNQCLSA-N 0 3 272.352 1.565 40 0 CDABHN COC(=O)[C@@]12CCN(C(=O)OC(C)(C)C)[C@H]1CNCC2 ZINC000238801069 376014619 /nfs/dbraw/zinc/01/46/19/376014619.db2.gz XNWFUTXQCYIPOV-HZMBPMFUSA-N 0 3 284.356 1.149 40 0 CDABHN COCc1cc(CC2(NCC3CC3)COC2)no1 ZINC000067898000 377286675 /nfs/dbraw/zinc/28/66/75/377286675.db2.gz LGNKLGZDADXLGM-UHFFFAOYSA-N 0 3 252.314 1.132 40 0 biogenic,in-vitro CDABHN Cc1nn(CC(=O)N2CCN3CCC[C@H]3C2)cc1Cl ZINC000002776606 378053651 /nfs/dbraw/zinc/05/36/51/378053651.db2.gz ZSDQQBADYBLHBK-NSHDSACASA-N 0 3 282.775 1.152 40 0 CDABHN CC(=O)N1CCC[C@@H]1c1ccc(N2CCNCC2)nc1 ZINC000072216275 256710690 /nfs/dbraw/zinc/71/06/90/256710690.db2.gz RSBMVDBDABBPHB-CQSZACIVSA-N 0 3 274.368 1.175 40 0 CDABHN NCCn1ccn2nc(-c3cccc(F)c3)cc2c1=O ZINC000096517333 390532542 /nfs/dbraw/zinc/53/25/42/390532542.db2.gz VIYVZWJNSJHUHD-UHFFFAOYSA-N 0 3 272.283 1.261 40 0 CDABHN C[C@H]1Oc2ccccc2OC1C(=O)Nc1ccn(C)n1 ZINC000044891993 175273264 /nfs/dbraw/zinc/27/32/64/175273264.db2.gz YWGRJWIKXLMTGH-NOZJJQNGSA-N 0 3 273.292 1.587 40 0 CDABHN CCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391248 276138835 /nfs/dbraw/zinc/13/88/35/276138835.db2.gz LSDDOAJZYKUXBC-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN O=C(NCCN1CCCCC1)[C@H]1Cc2cc(F)ccc2O1 ZINC000076958639 279228307 /nfs/dbraw/zinc/22/83/07/279228307.db2.gz GVFWRPIUKRTPPW-OAHLLOKOSA-N 0 3 292.354 1.731 40 0 CDABHN CN(C)[C@@H]1CN(Cc2ccccn2)C[C@@H]2CCCO[C@H]12 ZINC000096040579 185068667 /nfs/dbraw/zinc/06/86/67/185068667.db2.gz GQWKLBMOEFTVAX-IMJJTQAJSA-N 0 3 275.396 1.623 40 0 CDABHN O=C1C[C@]2(CCN(Cc3ccoc3)C2)CN1c1cncnc1 ZINC000096050823 185074708 /nfs/dbraw/zinc/07/47/08/185074708.db2.gz RMECSFACCLOEBG-INIZCTEOSA-N 0 3 298.346 1.699 40 0 CDABHN c1coc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096054990 185076353 /nfs/dbraw/zinc/07/63/53/185076353.db2.gz ZWTCNAXGRQULHT-GDBMZVCRSA-N 0 3 276.380 1.965 40 0 CDABHN Cc1cccc(CN2CCC3(CC2)COCCN3C)n1 ZINC000096074581 185088105 /nfs/dbraw/zinc/08/81/05/185088105.db2.gz UZTIOQKOZVUNOS-UHFFFAOYSA-N 0 3 275.396 1.687 40 0 CDABHN CC(C)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1 ZINC000096082324 185092521 /nfs/dbraw/zinc/09/25/21/185092521.db2.gz WCXYOZKCSVMQEF-JKSUJKDBSA-N 0 3 288.391 1.868 40 0 CDABHN C[C@](CN)(c1ccccc1Cl)N1CCOCC1 ZINC000070453423 361972154 /nfs/dbraw/zinc/97/21/54/361972154.db2.gz HNOKTLCBMYJQAW-ZDUSSCGKSA-N 0 3 254.761 1.846 40 0 CDABHN Clc1cncc(N2CC[C@@H](N3CCCC3)C2)n1 ZINC000061858102 362325932 /nfs/dbraw/zinc/32/59/32/362325932.db2.gz GGWKAJOEVLPASQ-SNVBAGLBSA-N 0 3 252.749 1.805 40 0 CDABHN Cc1nc(-c2nccn2C)cc([C@@H]2CCCN2C)n1 ZINC000257331338 362587131 /nfs/dbraw/zinc/58/71/31/362587131.db2.gz XSLGDMLCPZLCBU-ZDUSSCGKSA-N 0 3 257.341 1.952 40 0 CDABHN COC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 ZINC000107711034 186187716 /nfs/dbraw/zinc/18/77/16/186187716.db2.gz QDVIMXPIVJKTEN-GJZGRUSLSA-N 0 3 279.384 1.438 40 0 CDABHN CN(CCC1CCOCC1)C(=O)[C@@H](N)C(C)(C)C ZINC000163633192 188612481 /nfs/dbraw/zinc/61/24/81/188612481.db2.gz VWAUSCRYIUUOIM-GFCCVEGCSA-N 0 3 256.390 1.635 40 0 CDABHN CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)C(C)(C)[C@@H]1N(C)C ZINC000005340734 356052790 /nfs/dbraw/zinc/05/27/90/356052790.db2.gz WZCOQWVIQBLQKQ-OUAUKWLOSA-N 0 3 271.357 1.315 40 0 CDABHN CN(C)CCNC(=O)c1cccc(N2CCCC2=O)c1 ZINC000036140849 356861859 /nfs/dbraw/zinc/86/18/59/356861859.db2.gz BZJSMPKYEXMQQM-UHFFFAOYSA-N 0 3 275.352 1.105 40 0 CDABHN CN1CCC(c2nccnc2N2CCC[C@H](CO)C2)CC1 ZINC000072365223 357830771 /nfs/dbraw/zinc/83/07/71/357830771.db2.gz FNKSXYBQLVXWOL-ZDUSSCGKSA-N 0 3 290.411 1.495 40 0 CDABHN Cc1nc(CN2CC3(CCN(C)CC3)OCC2=O)cs1 ZINC000096201424 358718241 /nfs/dbraw/zinc/71/82/41/358718241.db2.gz AOKGLVWMINBCOO-UHFFFAOYSA-N 0 3 295.408 1.275 40 0 CDABHN CN(C)c1cccc(C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000027932867 375162576 /nfs/dbraw/zinc/16/25/76/375162576.db2.gz ZBMPDEROBVWRCX-HNNXBMFYSA-N 0 3 273.380 1.673 40 0 CDABHN CCOc1ccccc1CN1CCN(CCCO)[C@@H](C)C1 ZINC000225649686 375177404 /nfs/dbraw/zinc/17/74/04/375177404.db2.gz OTYLBINZFKSETJ-HNNXBMFYSA-N 0 3 292.423 1.974 40 0 CDABHN C[C@@H](C(=O)N1C[C@@H](C)OC[C@@H]1C)[C@H](N)c1ccccc1 ZINC000226846049 375402690 /nfs/dbraw/zinc/40/26/90/375402690.db2.gz LLEMMCFEIVBBHL-JLNYLFASSA-N 0 3 276.380 1.958 40 0 CDABHN CC[C@H](C)n1nccc1CNCCN1CCOCC1 ZINC000256052985 190004066 /nfs/dbraw/zinc/00/40/66/190004066.db2.gz PNVBDRUTPNMOMM-ZDUSSCGKSA-N 0 3 266.389 1.276 40 0 CDABHN Cc1cncc(C2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000257233342 190016600 /nfs/dbraw/zinc/01/66/00/190016600.db2.gz GOWSCXNVXIPUEY-HNNXBMFYSA-N 0 3 288.395 1.585 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000257260189 190022346 /nfs/dbraw/zinc/02/23/46/190022346.db2.gz LBRZLGUAXDLOEB-CQSZACIVSA-N 0 3 284.306 1.103 40 0 CDABHN CNc1cncc([C@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257277530 190025440 /nfs/dbraw/zinc/02/54/40/190025440.db2.gz NYHNGUPWMBRFJY-CYBMUJFWSA-N 0 3 292.383 1.197 40 0 CDABHN Cn1cc(CN2CCC[C@@H](Cc3cc[nH]n3)C2)cn1 ZINC000257281417 190026126 /nfs/dbraw/zinc/02/61/26/190026126.db2.gz OPCGSYBIZKBSAL-LBPRGKRZSA-N 0 3 259.357 1.598 40 0 CDABHN Cc1ncc(-c2cncc([C@@H]3CCCN(C)C3)n2)n1C ZINC000257333735 190035716 /nfs/dbraw/zinc/03/57/16/190035716.db2.gz YCVXFMQDWLVGNP-GFCCVEGCSA-N 0 3 271.368 1.995 40 0 CDABHN N[C@H](c1ccccc1)c1ccc(N2CCOCC2)nc1 ZINC000072225498 390623354 /nfs/dbraw/zinc/62/33/54/390623354.db2.gz SCRARXAUOMSNLA-MRXNPFEDSA-N 0 3 269.348 1.966 40 0 CDABHN CCCn1c(=O)c2ccccc2n(CCN(C)C)c1=O ZINC000005470338 170102414 /nfs/dbraw/zinc/10/24/14/170102414.db2.gz AQJPDBMENHVESK-UHFFFAOYSA-N 0 3 275.352 1.135 40 0 CDABHN CC(C)c1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000009910062 170389759 /nfs/dbraw/zinc/38/97/59/170389759.db2.gz IPNAPTXIGCTAJY-UHFFFAOYSA-N 0 3 277.368 1.426 40 0 CDABHN NCCS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000044248732 175156563 /nfs/dbraw/zinc/15/65/63/175156563.db2.gz HAZLWXYFXDLARI-UHFFFAOYSA-N 0 3 267.272 1.579 40 0 CDABHN COc1ccc(C(=O)N[C@@H](C)CN2CCCC2)cn1 ZINC000072398505 176396830 /nfs/dbraw/zinc/39/68/30/176396830.db2.gz LKYXUJNQYCQUON-NSHDSACASA-N 0 3 263.341 1.304 40 0 CDABHN CC(C)N(CC(=O)NCc1ccco1)C1CCOCC1 ZINC000077323091 177252999 /nfs/dbraw/zinc/25/29/99/177252999.db2.gz OBCFZVNEQLFJFE-UHFFFAOYSA-N 0 3 280.368 1.785 40 0 CDABHN CN1CCC[C@H]1C(=O)N1CCC(C)(c2cc[nH]n2)CC1 ZINC000257257287 277075206 /nfs/dbraw/zinc/07/52/06/277075206.db2.gz KOXHACKGDIMFTF-LBPRGKRZSA-N 0 3 276.384 1.384 40 0 CDABHN Cc1ccc(C)c(N2CC[C@H](CN)S2(=O)=O)c1 ZINC000260766441 328067339 /nfs/dbraw/zinc/06/73/39/328067339.db2.gz KBHHLBSRAVOZRG-LLVKDONJSA-N 0 3 254.355 1.171 40 0 CDABHN Cc1ccc(NC(=O)CN[C@H](CO)C(C)C)cc1F ZINC000156284786 323212523 /nfs/dbraw/zinc/21/25/23/323212523.db2.gz WDEUOQRFFXUNKC-CYBMUJFWSA-N 0 3 268.332 1.679 40 0 CDABHN O=C1C[C@H]2CC[C@@H](CN1)N2C[C@H](O)CC1CCCC1 ZINC000332939354 539050244 /nfs/dbraw/zinc/05/02/44/539050244.db2.gz JIOGUHRGESVFDD-HZSPNIEDSA-N 0 3 266.385 1.281 40 0 CDABHN Cc1ccccc1[C@H]1CN(Cc2ccccn2)[C@H](CO)[C@@H]1O ZINC000585295353 342260755 /nfs/dbraw/zinc/26/07/55/342260755.db2.gz WIQCVLPMWMWZCM-KZNAEPCWSA-N 0 3 298.386 1.711 40 0 CDABHN O[C@@]1(COc2ccccc2)COCCN(CC2CC2)C1 ZINC000585269339 342254505 /nfs/dbraw/zinc/25/45/05/342254505.db2.gz PRNYYJORBQDVMW-MRXNPFEDSA-N 0 3 277.364 1.539 40 0 CDABHN CCOc1ccc([C@H](N)c2nnc[nH]2)cc1OCC ZINC000087878899 362163646 /nfs/dbraw/zinc/16/36/46/362163646.db2.gz LPMCBHLKXFPGLH-LBPRGKRZSA-N 0 3 262.313 1.650 40 0 CDABHN CCCN1CCN(C)C(=O)[C@H](Cc2ccccn2)C1 ZINC000019700824 348736226 /nfs/dbraw/zinc/73/62/26/348736226.db2.gz UKBUOKHPVYGZNW-CYBMUJFWSA-N 0 3 261.369 1.424 40 0 CDABHN Fc1cccc(N2CCC[C@@]3(CNCCO3)C2)c1 ZINC000096226765 283016751 /nfs/dbraw/zinc/01/67/51/283016751.db2.gz XRLWTTAPMUSJBB-CQSZACIVSA-N 0 3 250.317 1.785 40 0 CDABHN CNCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 ZINC000005043816 356048384 /nfs/dbraw/zinc/04/83/84/356048384.db2.gz LJTDFQLZVZNKGE-OWWVKFPZSA-N 0 3 250.386 1.927 40 0 CDABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccncc3)C2)cc(=O)[n-]1 ZINC000019285280 356479451 /nfs/dbraw/zinc/47/94/51/356479451.db2.gz PHOVIDZIIITTCY-CYBMUJFWSA-N 0 3 270.336 1.463 40 0 CDABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccncc3)C2)cc(=O)[n-]1 ZINC000019285280 356479456 /nfs/dbraw/zinc/47/94/56/356479456.db2.gz PHOVIDZIIITTCY-CYBMUJFWSA-N 0 3 270.336 1.463 40 0 CDABHN Cc1c([C@@H](C)NC(=O)CC2CCN(C)CC2)cnn1C ZINC000019748362 356498914 /nfs/dbraw/zinc/49/89/14/356498914.db2.gz WKAMDFWQDPCOAF-LLVKDONJSA-N 0 3 278.400 1.638 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391215 356988210 /nfs/dbraw/zinc/98/82/10/356988210.db2.gz YISXUHPECHODOD-QWRGUYRKSA-N 0 3 285.388 1.049 40 0 CDABHN CC(=O)N(C(C)C)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)N ZINC000079417744 356995477 /nfs/dbraw/zinc/99/54/77/356995477.db2.gz CDMZWCASOCCJIS-CYZMBNFOSA-N 0 3 269.389 1.018 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404394 358069119 /nfs/dbraw/zinc/06/91/19/358069119.db2.gz KHQLSUOAUCYAAW-GXTWGEPZSA-N 0 3 261.369 1.067 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccccc1 ZINC000096184381 358713547 /nfs/dbraw/zinc/71/35/47/358713547.db2.gz NSGIZQMXZANKPL-CVEARBPZSA-N 0 3 287.407 1.423 40 0 CDABHN CN(C)CCN1CCN(CC2CC2)c2ncccc2C1 ZINC000096198933 358717540 /nfs/dbraw/zinc/71/75/40/358717540.db2.gz WEIFNSOUTULGKK-UHFFFAOYSA-N 0 3 274.412 1.675 40 0 CDABHN C[C@@H]1NC(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201469 358718067 /nfs/dbraw/zinc/71/80/67/358718067.db2.gz CRXPSUNRRPFJRI-NSHDSACASA-N 0 3 280.393 1.618 40 0 CDABHN c1cnc(N2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096246163 358725816 /nfs/dbraw/zinc/72/58/16/358725816.db2.gz ZGTUOQYKLXMVMB-CVEARBPZSA-N 0 3 295.390 1.830 40 0 CDABHN CN1CCC[C@@]2(C1)CN(Cc1cccnc1)CCO2 ZINC000096268596 358730356 /nfs/dbraw/zinc/73/03/56/358730356.db2.gz FBQAAMCAWDPDOR-OAHLLOKOSA-N 0 3 261.369 1.378 40 0 CDABHN C[C@H]([NH3+])c1nnc(-c2ccc(Br)o2)[n-]1 ZINC000095534674 359045604 /nfs/dbraw/zinc/04/56/04/359045604.db2.gz JXOVRGQJESHOEM-BYPYZUCNSA-N 0 3 257.091 1.847 40 0 CDABHN C[C@H](N)c1nc(-c2ccc(Br)o2)n[nH]1 ZINC000095534674 359045607 /nfs/dbraw/zinc/04/56/07/359045607.db2.gz JXOVRGQJESHOEM-BYPYZUCNSA-N 0 3 257.091 1.847 40 0 CDABHN COc1ccc([C@@]2(C)CC(CN)=NO2)cc1OC ZINC000222551381 359354035 /nfs/dbraw/zinc/35/40/35/359354035.db2.gz XJCDMLIHZIXXBS-CYBMUJFWSA-N 0 3 250.298 1.654 40 0 CDABHN Cc1nn(C)c2c1nc(C1CC1)nc2NCCN(C)C ZINC000057356007 375421043 /nfs/dbraw/zinc/42/10/43/375421043.db2.gz PVGNNNZILUPZSP-UHFFFAOYSA-N 0 3 274.372 1.523 40 0 CDABHN CN(C)Cc1c[nH]c([C@@H]2CCN(Cc3cncn3C)C2)n1 ZINC000257252053 190019999 /nfs/dbraw/zinc/01/99/99/190019999.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 0 3 288.399 1.194 40 0 CDABHN CN(C)Cc1cnc([C@@H]2CCN(Cc3cncn3C)C2)[nH]1 ZINC000257252053 190020000 /nfs/dbraw/zinc/02/00/00/190020000.db2.gz JTJKABXJHCMDOX-GFCCVEGCSA-N 0 3 288.399 1.194 40 0 CDABHN O=C(CN1CCC[C@@H]1CN1CCCCC1)NC1CC1 ZINC000069077774 377790350 /nfs/dbraw/zinc/79/03/50/377790350.db2.gz QUNPWTPSEFOSCS-CQSZACIVSA-N 0 3 265.401 1.215 40 0 CDABHN O=S1(=O)c2ccc(-c3cccnc3)cc2[C@@H]2CNC[C@H]21 ZINC000306124943 285074748 /nfs/dbraw/zinc/07/47/48/285074748.db2.gz CCTOPIBNKMBDMB-DZGCQCFKSA-N 0 3 286.356 1.591 40 0 CDABHN CCO[C@H]1C[C@@H](NC(=O)C(C)(C)N)C12CCCCC2 ZINC000236951015 286474062 /nfs/dbraw/zinc/47/40/62/286474062.db2.gz WKSIZXKTGFOYQY-NEPJUHHUSA-N 0 3 268.401 1.968 40 0 CDABHN COc1ccccc1C[C@H](O)CNCc1ccco1 ZINC000006485121 170205576 /nfs/dbraw/zinc/20/55/76/170205576.db2.gz WPIDCZBVFXTHBQ-ZDUSSCGKSA-N 0 3 261.321 1.981 40 0 CDABHN COc1cccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000022161719 171364333 /nfs/dbraw/zinc/36/43/33/171364333.db2.gz SUUAHXZFOMJMML-SGMGOOAPSA-N 0 3 294.395 1.813 40 0 CDABHN O[C@@H]1C[C@H](c2cccnc2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000072321632 176368560 /nfs/dbraw/zinc/36/85/60/176368560.db2.gz RKZSHDVJCXCUJI-QBPKDAKJSA-N 0 3 284.359 1.449 40 0 biogenic,in-vitro CDABHN Cc1nccn1-c1cccc([C@H]2CCCN2CCO)n1 ZINC000072355527 176375322 /nfs/dbraw/zinc/37/53/22/176375322.db2.gz COXASHUOGSTTTM-CQSZACIVSA-N 0 3 272.352 1.705 40 0 CDABHN CCN(CC)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 ZINC000104184213 276099673 /nfs/dbraw/zinc/09/96/73/276099673.db2.gz OCBYBBQVZFJHBP-FHUSYTEZSA-N 0 3 281.352 1.069 40 0 CDABHN CN1CCOCC2(CCN(c3ncc(F)cn3)CC2)C1 ZINC000096239837 277117051 /nfs/dbraw/zinc/11/70/51/277117051.db2.gz GCYHFWZFPACMLB-UHFFFAOYSA-N 0 3 280.347 1.164 40 0 CDABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCCN(CCO)CCO)C2 ZINC000004416407 281452331 /nfs/dbraw/zinc/45/23/31/281452331.db2.gz OWCQIMTWVDRYOB-FMKPAKJESA-N 0 3 285.428 1.504 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100177794 298947580 /nfs/dbraw/zinc/94/75/80/298947580.db2.gz ZNPRGXOEYHPPBT-GARJFASQSA-N 0 3 285.388 1.286 40 0 CDABHN CC1(C)CC(=O)NCCN1C[C@H]1CCC2(CCC2)O1 ZINC000931200750 617642078 /nfs/dbraw/zinc/64/20/78/617642078.db2.gz ACEWNUWHAKKHTH-GFCCVEGCSA-N 0 3 266.385 1.689 40 0 CDABHN [NH3+][C@H](Cc1ccccc1)c1nnc(-c2cnccn2)[n-]1 ZINC000095534857 185008449 /nfs/dbraw/zinc/00/84/49/185008449.db2.gz LBEXKAQSMCLQEY-LLVKDONJSA-N 0 3 266.308 1.504 40 0 CDABHN N[C@H](Cc1ccccc1)c1nc(-c2cnccn2)n[nH]1 ZINC000095534857 185008451 /nfs/dbraw/zinc/00/84/51/185008451.db2.gz LBEXKAQSMCLQEY-LLVKDONJSA-N 0 3 266.308 1.504 40 0 CDABHN CNC(=O)[C@@]1(C)CCCN(Cc2cnn(C)c2C)C1 ZINC000019746708 342540612 /nfs/dbraw/zinc/54/06/12/342540612.db2.gz CKAMBXGZZZTSOR-AWEZNQCLSA-N 0 3 264.373 1.077 40 0 CDABHN CN1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1 ZINC000096081391 185090512 /nfs/dbraw/zinc/09/05/12/185090512.db2.gz QHMRXKOMZYRNKF-WDEREUQCSA-N 0 3 263.316 1.244 40 0 CDABHN Cc1cccc(C(=O)N2Cc3ccnn3[C@@H](CN(C)C)C2)c1 ZINC000585095191 342211433 /nfs/dbraw/zinc/21/14/33/342211433.db2.gz JORQDDGEDDILMR-INIZCTEOSA-N 0 3 298.390 1.950 40 0 CDABHN Cc1nccn1-c1nccnc1C1CCN(C)CC1 ZINC000072350492 282200906 /nfs/dbraw/zinc/20/09/06/282200906.db2.gz ZJPVZBFCBUKUIS-UHFFFAOYSA-N 0 3 257.341 1.780 40 0 CDABHN Nc1ncc(CNCCCc2nc3ccccc3[nH]2)cn1 ZINC000062718691 350413337 /nfs/dbraw/zinc/41/33/37/350413337.db2.gz ZUTHUUWTLFVLSQ-UHFFFAOYSA-N 0 3 282.351 1.658 40 0 CDABHN COC(=O)c1cccc(NC(=S)NCCN(C)C)c1 ZINC000016282938 356436064 /nfs/dbraw/zinc/43/60/64/356436064.db2.gz QFHQTNRIWAWZJZ-UHFFFAOYSA-N 0 3 281.381 1.321 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)Cn1nc(C)c(C)c1C ZINC000019527278 356490582 /nfs/dbraw/zinc/49/05/82/356490582.db2.gz MPVYGZFGHNXAIP-OAHLLOKOSA-N 0 3 292.427 1.799 40 0 CDABHN Cc1ccc2c(c1)cc(CNC[C@@H]1CCCO1)c1nnnn12 ZINC000019221194 356477242 /nfs/dbraw/zinc/47/72/42/356477242.db2.gz PAYKYTBTHLPVSD-AWEZNQCLSA-N 0 3 297.362 1.855 40 0 CDABHN CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCN(C)C ZINC000030756423 356752839 /nfs/dbraw/zinc/75/28/39/356752839.db2.gz VEKINKGPRTWZJN-CYBMUJFWSA-N 0 3 268.332 1.661 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404437 356991393 /nfs/dbraw/zinc/99/13/93/356991393.db2.gz YTKGBOYCSMWFEA-DZGCQCFKSA-N 0 3 275.396 1.457 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1ccc[nH]1)C(C)C ZINC000079436546 356996492 /nfs/dbraw/zinc/99/64/92/356996492.db2.gz LTGODKFJJRWQNC-ZDUSSCGKSA-N 0 3 265.357 1.418 40 0 CDABHN CCn1c(=O)ccc2c1CC[C@H](NCc1nccs1)C2 ZINC000096189616 358716471 /nfs/dbraw/zinc/71/64/71/358716471.db2.gz GXMMNHFVIIFXEC-LBPRGKRZSA-N 0 3 289.404 1.972 40 0 CDABHN O=C(CC1(N2CCOCC2)CCCC1)Nc1cn[nH]c1 ZINC000118768601 359809024 /nfs/dbraw/zinc/80/90/24/359809024.db2.gz YRZGAKDPBUTVOG-UHFFFAOYSA-N 0 3 278.356 1.383 40 0 CDABHN CC[C@@H](O)CN1CCN(C2CCC(C)CC2)CC1 ZINC000075746303 360204744 /nfs/dbraw/zinc/20/47/44/360204744.db2.gz PCIZLQVSWUHAAN-YMAMQOFZSA-N 0 3 254.418 1.954 40 0 CDABHN COC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249981 365036633 /nfs/dbraw/zinc/03/66/33/365036633.db2.gz LHCVXGXKSRWKQN-MELADBBJSA-N 0 3 283.393 1.097 40 0 CDABHN Cc1nc(COC[C@@H]2CNCc3ccnn3C2)cs1 ZINC000306143514 374971767 /nfs/dbraw/zinc/97/17/67/374971767.db2.gz YEKCCRBKRUTUDM-LLVKDONJSA-N 0 3 278.381 1.584 40 0 CDABHN CN(C)Cc1c[nH]c([C@@H]2CCN(Cc3cncs3)C2)n1 ZINC000257205194 190011682 /nfs/dbraw/zinc/01/16/82/190011682.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 0 3 291.424 1.917 40 0 CDABHN CN(C)Cc1cnc([C@@H]2CCN(Cc3cncs3)C2)[nH]1 ZINC000257205194 190011683 /nfs/dbraw/zinc/01/16/83/190011683.db2.gz AYAOZFHTKARGNR-LLVKDONJSA-N 0 3 291.424 1.917 40 0 CDABHN CNCC(=O)N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257232195 190016914 /nfs/dbraw/zinc/01/69/14/190016914.db2.gz GJUHHLKPFQELDQ-IIAWOOMASA-N 0 3 292.379 1.073 40 0 CDABHN c1cnc([N-]c2cncc([C@@H]3CCC[NH2+]C3)n2)nc1 ZINC000257271046 190023979 /nfs/dbraw/zinc/02/39/79/190023979.db2.gz MWOXTAPVTFVBCH-SNVBAGLBSA-N 0 3 256.313 1.477 40 0 CDABHN O[C@@H]1CN(C2CCOCC2)C[C@H]1Oc1cccc(F)c1 ZINC000257279666 190025810 /nfs/dbraw/zinc/02/58/10/190025810.db2.gz OHQMDFHEVRSJTD-HUUCEWRRSA-N 0 3 281.327 1.429 40 0 CDABHN CC(C)CN1C[C@@H]2[C@H](C1)OCC(=O)N2Cc1ccccn1 ZINC000067897153 377286758 /nfs/dbraw/zinc/28/67/58/377286758.db2.gz TYFSGIDUNREIMB-CABCVRRESA-N 0 3 289.379 1.149 40 0 biogenic,in-vitro CDABHN CN1CCC[C@@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527693 378303896 /nfs/dbraw/zinc/30/38/96/378303896.db2.gz XHSZJIQPYHWANT-OAHLLOKOSA-N 0 3 259.353 1.640 40 0 CDABHN CCCCN(C)C[C@@H]1OC[C@H](NCc2ccccn2)[C@H]1O ZINC000514288419 390882150 /nfs/dbraw/zinc/88/21/50/390882150.db2.gz DPMAFSNMWKJWQO-HRCADAONSA-N 0 3 293.411 1.031 40 0 biogenic,in-vitro CDABHN COc1ccc(OCC(=O)NC2CCN(C)CC2)cc1 ZINC000047829355 175414319 /nfs/dbraw/zinc/41/43/19/175414319.db2.gz GNUYKXFNBQUZEH-UHFFFAOYSA-N 0 3 278.352 1.284 40 0 CDABHN CC(=O)N1CCC(NC(=O)CN(C)C2CCCCC2)CC1 ZINC000070923888 176012160 /nfs/dbraw/zinc/01/21/60/176012160.db2.gz BKLPPZCZARWBOR-UHFFFAOYSA-N 0 3 295.427 1.378 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(F)c1 ZINC000072397569 176394915 /nfs/dbraw/zinc/39/49/15/176394915.db2.gz JGYRAOGEWYUKGQ-TUKIKUTGSA-N 0 3 264.344 1.465 40 0 CDABHN CCN(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409690 177481800 /nfs/dbraw/zinc/48/18/00/177481800.db2.gz KQCUPAOKFDUKGI-NWDGAFQWSA-N 0 3 299.415 1.439 40 0 CDABHN CCOCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717801 262303070 /nfs/dbraw/zinc/30/30/70/262303070.db2.gz IEXDOWZLLQPIOD-UHFFFAOYSA-N 0 3 264.373 1.593 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079409370 278377379 /nfs/dbraw/zinc/37/73/79/278377379.db2.gz ZFMKLEUZAQGQSH-GFCCVEGCSA-N 0 3 297.399 1.336 40 0 CDABHN CC(C)N(C(=O)CN)C1CCN(Cc2ccccc2)CC1 ZINC000079404262 279274309 /nfs/dbraw/zinc/27/43/09/279274309.db2.gz MPKMDYFUEMQPPD-UHFFFAOYSA-N 0 3 289.423 1.847 40 0 CDABHN Cc1nnc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257338432 327136480 /nfs/dbraw/zinc/13/64/80/327136480.db2.gz YXJYMIZPLSQURK-OLZOCXBDSA-N 0 3 265.357 1.861 40 0 CDABHN CCNc1ncc(CNCCCOC(C)C)cn1 ZINC000062717569 333175832 /nfs/dbraw/zinc/17/58/32/333175832.db2.gz IKAHSFKBTNJHOK-UHFFFAOYSA-N 0 3 252.362 1.813 40 0 CDABHN COc1ccc([C@@H](N)c2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000095533737 185006227 /nfs/dbraw/zinc/00/62/27/185006227.db2.gz PYWSDXLDABYWSV-NWDGAFQWSA-N 0 3 274.324 1.713 40 0 CDABHN CN1CCOCC12CCN(Cc1ccncc1)CC2 ZINC000096048906 185072731 /nfs/dbraw/zinc/07/27/31/185072731.db2.gz IMBTVSZQQUXLAE-UHFFFAOYSA-N 0 3 261.369 1.378 40 0 CDABHN c1cncc(CO[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055048 185075809 /nfs/dbraw/zinc/07/58/09/185075809.db2.gz YRLXUVSHVKUPFH-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096057182 185077986 /nfs/dbraw/zinc/07/79/86/185077986.db2.gz HTUODFZRPOXGLY-NFAWXSAZSA-N 0 3 292.379 1.452 40 0 CDABHN CCCC(=O)N1Cc2ccnn2[C@@H](CN(C)C)C1 ZINC000585095128 342211454 /nfs/dbraw/zinc/21/14/54/342211454.db2.gz ATIGFNRIJWAEJP-LBPRGKRZSA-N 0 3 250.346 1.128 40 0 CDABHN CO[C@@H](C)C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000195537286 363456634 /nfs/dbraw/zinc/45/66/34/363456634.db2.gz CUBSDDODTHRBQN-AVGNSLFASA-N 0 3 272.389 1.027 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000019976408 356521006 /nfs/dbraw/zinc/52/10/06/356521006.db2.gz HNTFIQHYJJSTQN-NSHDSACASA-N 0 3 285.388 1.049 40 0 CDABHN NCC(=O)N(Cc1ccc(Br)cc1)C1CC1 ZINC000032128728 356833151 /nfs/dbraw/zinc/83/31/51/356833151.db2.gz AEMBBXDQKZOVDW-UHFFFAOYSA-N 0 3 283.169 1.899 40 0 CDABHN CNc1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)ccn1 ZINC000019655622 358103453 /nfs/dbraw/zinc/10/34/53/358103453.db2.gz WRAFBVSMYFXTTA-AWEZNQCLSA-N 0 3 288.395 1.824 40 0 CDABHN CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1 ZINC000096057780 358707396 /nfs/dbraw/zinc/70/73/96/358707396.db2.gz CGLHFDDAMQYNAY-BFHYXJOUSA-N 0 3 255.358 1.291 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)c1ccncc1)CC2 ZINC000096158632 358709908 /nfs/dbraw/zinc/70/99/08/358709908.db2.gz CLFSUCYOPKKJFT-AWEZNQCLSA-N 0 3 289.379 1.407 40 0 CDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccco3)C[C@H]2C1 ZINC000096182286 358713341 /nfs/dbraw/zinc/71/33/41/358713341.db2.gz PEOIAAQLFQKRDF-BETUJISGSA-N 0 3 298.346 1.274 40 0 CDABHN CC(=O)N1CCC2(C[C@H](OCCN3CCCC3)CO2)CC1 ZINC000096209574 358721440 /nfs/dbraw/zinc/72/14/40/358721440.db2.gz RYRBJTXXQRZVAR-HNNXBMFYSA-N 0 3 296.411 1.269 40 0 CDABHN NC[C@H]1CCN(c2ccccc2Cl)S1(=O)=O ZINC000222543186 359353078 /nfs/dbraw/zinc/35/30/78/359353078.db2.gz BBUMVTDQGLAOKD-MRVPVSSYSA-N 0 3 260.746 1.207 40 0 CDABHN COc1cc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[O-] ZINC000100744523 374157882 /nfs/dbraw/zinc/15/78/82/374157882.db2.gz GWWGRYGNRKFSSX-GDNZZTSVSA-N 0 3 277.320 1.841 40 0 biogenic CDABHN COCCN1CCC[C@H](c2cncc(-c3cn[nH]c3)n2)C1 ZINC000257246734 190019215 /nfs/dbraw/zinc/01/92/15/190019215.db2.gz IVOUOBQUWHWJOZ-LBPRGKRZSA-N 0 3 287.367 1.693 40 0 CDABHN O[C@H]1CN(CCOc2ccccc2)CC[C@@]12CCCO2 ZINC000257264520 190022955 /nfs/dbraw/zinc/02/29/55/190022955.db2.gz LUTWBVIZUPNYFC-HOTGVXAUSA-N 0 3 277.364 1.681 40 0 CDABHN COC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989861 375771257 /nfs/dbraw/zinc/77/12/57/375771257.db2.gz VIWMYMDRNJLKBZ-QWHCGFSZSA-N 0 3 269.366 1.133 40 0 CDABHN Cn1cncc1-c1ncccc1C(=O)NC1CCN(C)CC1 ZINC000257330721 190035632 /nfs/dbraw/zinc/03/56/32/190035632.db2.gz XPPUPUGYTDGDHP-UHFFFAOYSA-N 0 3 299.378 1.306 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)cc2)C[C@H]1O ZINC000257333958 190035954 /nfs/dbraw/zinc/03/59/54/190035954.db2.gz YDWIFYHSNKAZNK-HUUCEWRRSA-N 0 3 290.407 1.731 40 0 CDABHN COc1ccc(C[C@@H](C)NC(=O)C(C)(C)N)cc1OC ZINC000262448065 190055482 /nfs/dbraw/zinc/05/54/82/190055482.db2.gz DMGDIOVHOYHBSV-SNVBAGLBSA-N 0 3 280.368 1.488 40 0 CDABHN O[C@@H]1CC=C2CCN3Cc4cc5c(cc4[C@H]1[C@H]23)OCO5 ZINC000005734928 285309848 /nfs/dbraw/zinc/30/98/48/285309848.db2.gz XKYSLILSDJBMCU-WQVCFCJDSA-N 0 3 271.316 1.778 40 0 CDABHN C[C@H]1Cc2ccccc2N1C[C@]1(O)CCCN(C)C1 ZINC000072240972 390246978 /nfs/dbraw/zinc/24/69/78/390246978.db2.gz XHIONXYOTPIENM-BBRMVZONSA-N 0 3 260.381 1.894 40 0 CDABHN CN(Cc1nn(C)c2c1CNCC2)C(=O)OC(C)(C)C ZINC000072209779 390619582 /nfs/dbraw/zinc/61/95/82/390619582.db2.gz FMXLNRZMWXKHAK-UHFFFAOYSA-N 0 3 280.372 1.433 40 0 CDABHN CC(C)NC(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC000096157354 390913304 /nfs/dbraw/zinc/91/33/04/390913304.db2.gz ZNWBRQROWSVZJH-UONOGXRCSA-N 0 3 259.353 1.676 40 0 CDABHN COc1ccc(NC(=O)[C@@H]2CCCCN2)cc1OC ZINC000004713082 170003393 /nfs/dbraw/zinc/00/33/93/170003393.db2.gz YMLKPRALEGPJBK-NSHDSACASA-N 0 3 264.325 1.784 40 0 CDABHN Cc1nccn1Cc1ccc(C(=O)NCCN(C)C)cc1 ZINC000044910137 175275534 /nfs/dbraw/zinc/27/55/34/175275534.db2.gz GMKRGFSHTGRWNS-UHFFFAOYSA-N 0 3 286.379 1.531 40 0 CDABHN CCN1CCC(O)([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000002042234 276360368 /nfs/dbraw/zinc/36/03/68/276360368.db2.gz RBVVLZFGQZUYFP-CQSZACIVSA-N 0 3 277.364 1.790 40 0 CDABHN CN1CCC(c2cccc(C(=O)Nc3cc[nH]n3)n2)CC1 ZINC000072355767 277035206 /nfs/dbraw/zinc/03/52/06/277035206.db2.gz DJSITAJSZYMNHW-UHFFFAOYSA-N 0 3 285.351 1.866 40 0 CDABHN CNC(=O)N[C@@H]1c2cccc(F)c2[C@@H]2CN(C)C[C@@H]21 ZINC000107273305 277238498 /nfs/dbraw/zinc/23/84/98/277238498.db2.gz WQFIWSNKTKGFCZ-GBIKHYSHSA-N 0 3 263.316 1.455 40 0 CDABHN CC(=O)N(C[C@@H]1CCCCN1C(=O)[C@@H](N)C(C)C)C(C)C ZINC000079418047 277971105 /nfs/dbraw/zinc/97/11/05/277971105.db2.gz UYCNEIOMSGPLBO-GJZGRUSLSA-N 0 3 297.443 1.608 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@@H]1CCCN(C)C1 ZINC000079426685 280271384 /nfs/dbraw/zinc/27/13/84/280271384.db2.gz YAMGVSKORIPUEJ-OLZOCXBDSA-N 0 3 255.406 1.301 40 0 CDABHN CC(C)CCC(=O)N1Cc2ccnn2[C@H](CN(C)C)C1 ZINC000575406888 342451947 /nfs/dbraw/zinc/45/19/47/342451947.db2.gz XBANPWHKCDIWMK-CQSZACIVSA-N 0 3 278.400 1.764 40 0 CDABHN CCOc1ccc([C@@H](N)c2n[nH]c(C)n2)cc1OC ZINC000095534211 185006150 /nfs/dbraw/zinc/00/61/50/185006150.db2.gz LMKVMZVQXXKVPF-GFCCVEGCSA-N 0 3 262.313 1.569 40 0 CDABHN CCOCC(=O)NCC1(N2CCSCC2)CCCC1 ZINC000075617864 346767070 /nfs/dbraw/zinc/76/70/70/346767070.db2.gz XWMQFSPSNFQIGV-UHFFFAOYSA-N 0 3 286.441 1.501 40 0 CDABHN Cc1ncc(CN2CCC[C@]3(CCNC3=O)CC2)cn1 ZINC000108530836 186221719 /nfs/dbraw/zinc/22/17/19/186221719.db2.gz BWOBBONMUYIXIO-HNNXBMFYSA-N 0 3 274.368 1.277 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108535796 186222705 /nfs/dbraw/zinc/22/27/05/186222705.db2.gz RBLNWRQCEDSKPF-DZGCQCFKSA-N 0 3 276.384 1.158 40 0 CDABHN CN(C)CCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000019582923 356491956 /nfs/dbraw/zinc/49/19/56/356491956.db2.gz KEQLFCKUAFRGAQ-UHFFFAOYSA-N 0 3 296.378 1.443 40 0 CDABHN Cc1nccn1CCNC(=O)c1n[nH]c2ccc(C)cc21 ZINC000019657080 356494147 /nfs/dbraw/zinc/49/41/47/356494147.db2.gz AWEIGBPQKDMDPO-UHFFFAOYSA-N 0 3 283.335 1.806 40 0 CDABHN NCCS(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000036720673 356878774 /nfs/dbraw/zinc/87/87/74/356878774.db2.gz LBOGSZOKFLMBLL-UHFFFAOYSA-N 0 3 268.165 1.867 40 0 CDABHN NCC(=O)N(C[C@@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000079404297 356991512 /nfs/dbraw/zinc/99/15/12/356991512.db2.gz NIBGJGRALHGNIQ-INIZCTEOSA-N 0 3 287.407 1.601 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079409552 356992428 /nfs/dbraw/zinc/99/24/28/356992428.db2.gz DHLNMATUWBDFFP-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@H]1CCCN1CCO)C1CC1 ZINC000079408187 356992671 /nfs/dbraw/zinc/99/26/71/356992671.db2.gz ZOGZLUGGTWQZEC-CYBMUJFWSA-N 0 3 284.400 1.843 40 0 CDABHN CN(C(=O)OCc1ccccc1)C1CCN(CCO)CC1 ZINC000079410966 356993546 /nfs/dbraw/zinc/99/35/46/356993546.db2.gz NZMYVYCVJYXHDB-UHFFFAOYSA-N 0 3 292.379 1.712 40 0 CDABHN Cc1ccc(C)c(OCC(=O)NC2CCN(C)CC2)c1 ZINC000047829400 357165393 /nfs/dbraw/zinc/16/53/93/357165393.db2.gz GXFSOJVGXSHKBH-UHFFFAOYSA-N 0 3 276.380 1.893 40 0 CDABHN C[C@H]1CCCN(Cc2ccnc(N3CCOCC3)n2)C1 ZINC000072397373 357831820 /nfs/dbraw/zinc/83/18/20/357831820.db2.gz ZVSWVLRLGPVXER-ZDUSSCGKSA-N 0 3 276.384 1.545 40 0 CDABHN C[C@H]1CN([C@@H](CN)c2cccc(F)c2)C[C@H](C)O1 ZINC000036874767 358616380 /nfs/dbraw/zinc/61/63/80/358616380.db2.gz KOSVWTNJZPXZKA-MJVIPROJSA-N 0 3 252.333 1.935 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158617 358709933 /nfs/dbraw/zinc/70/99/33/358709933.db2.gz ACCVJUUYORMHMH-GFCCVEGCSA-N 0 3 280.347 1.305 40 0 CDABHN CN(C)[C@@H]1CCN(C(=O)CC2CC2)[C@H]1Cc1cnn(C)c1 ZINC000096200927 358718383 /nfs/dbraw/zinc/71/83/83/358718383.db2.gz LULQTOJNQLEBEE-CABCVRRESA-N 0 3 290.411 1.294 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(Cc1nc(C)cs1)CC[C@@H]2OC ZINC000096206936 358720324 /nfs/dbraw/zinc/72/03/24/358720324.db2.gz XJSKFCPAAGPFPQ-MJBXVCDLSA-N 0 3 295.452 1.993 40 0 CDABHN Cc1cnnn1Cc1ncn2c1CN(CC1CC1)CCC2 ZINC000096259471 358729107 /nfs/dbraw/zinc/72/91/07/358729107.db2.gz KXWZITBSTZSHDT-UHFFFAOYSA-N 0 3 286.383 1.447 40 0 CDABHN O=C1C[C@H]2[C@@H](CCN2[C@H]2CCOC2)N1c1ccsc1 ZINC000107198681 359016699 /nfs/dbraw/zinc/01/66/99/359016699.db2.gz GAKZXYNNJCUPDS-UHTWSYAYSA-N 0 3 278.377 1.717 40 0 CDABHN C[C@H](C(=O)N1CC[C@H](N2CCCC2)C1)c1cccnc1 ZINC000174520633 372598377 /nfs/dbraw/zinc/59/83/77/372598377.db2.gz BSHIXJITHRYPSC-ZFWWWQNUSA-N 0 3 273.380 1.882 40 0 CDABHN O[C@H](CNC1CC1)c1ccc(Br)cn1 ZINC000130121881 374043890 /nfs/dbraw/zinc/04/38/90/374043890.db2.gz ZJCUMJUPCWRNMK-SNVBAGLBSA-N 0 3 257.131 1.630 40 0 CDABHN Cn1cc(CNCCCCO)c(C(F)(F)F)n1 ZINC000256051530 190003673 /nfs/dbraw/zinc/00/36/73/190003673.db2.gz JMWPVGRBMPXQOO-UHFFFAOYSA-N 0 3 251.252 1.301 40 0 CDABHN CC(C)Oc1ccc(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cc1 ZINC000257200339 190011089 /nfs/dbraw/zinc/01/10/89/190011089.db2.gz ACXMIEHMXLWDNC-HUUCEWRRSA-N 0 3 292.379 1.221 40 0 CDABHN Cc1ncc(CN2CCNC[C@H]2c2ccccc2)cn1 ZINC000257228725 190016069 /nfs/dbraw/zinc/01/60/69/190016069.db2.gz FUZPPITUPSXXSR-INIZCTEOSA-N 0 3 268.364 1.932 40 0 CDABHN CCOCCN1CCC[C@H](Cc2nccnc2NC)C1 ZINC000257229170 190016446 /nfs/dbraw/zinc/01/64/46/190016446.db2.gz FWYTWIHHHYOQJT-CYBMUJFWSA-N 0 3 278.400 1.809 40 0 CDABHN Cc1c[nH]c([C@H]2CCCN(Cc3cncn3C)C2)n1 ZINC000257219013 190014251 /nfs/dbraw/zinc/01/42/51/190014251.db2.gz DFGKLSCYRUNGON-LBPRGKRZSA-N 0 3 259.357 1.831 40 0 CDABHN COCCN1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000257291631 190027542 /nfs/dbraw/zinc/02/75/42/190027542.db2.gz QHXJTGKTOVPHCB-DOTOQJQBSA-N 0 3 288.391 1.771 40 0 CDABHN CN1CCN(Cc2ccc3ccccc3n2)C[C@H](C(N)=O)C1 ZINC000257304260 190030648 /nfs/dbraw/zinc/03/06/48/190030648.db2.gz SKUDIFVFQFTURI-CQSZACIVSA-N 0 3 298.390 1.084 40 0 CDABHN COCc1cc(CC2(NCCC(C)C)COC2)no1 ZINC000067897974 377287242 /nfs/dbraw/zinc/28/72/42/377287242.db2.gz FEBCNWTUUCKIBD-UHFFFAOYSA-N 0 3 268.357 1.768 40 0 biogenic,in-vitro CDABHN O=S(=O)(NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000070922015 379508832 /nfs/dbraw/zinc/50/88/32/379508832.db2.gz XSMUQADEYMGMNV-UHFFFAOYSA-N 0 3 295.408 1.380 40 0 CDABHN Cc1cc(C)c(NC(=O)C(=O)NCCN(C)C)c(C)c1 ZINC000005251352 170079950 /nfs/dbraw/zinc/07/99/50/170079950.db2.gz QDQINVARVNWICU-UHFFFAOYSA-N 0 3 277.368 1.228 40 0 CDABHN O=C(NCCN1CCCCC1)c1cccnc1Cl ZINC000008051457 170316697 /nfs/dbraw/zinc/31/66/97/170316697.db2.gz CXOIOOJTSJWNBE-UHFFFAOYSA-N 0 3 267.760 1.951 40 0 CDABHN CN1CCC[C@H](CNC(=S)NCc2ccco2)C1 ZINC000009876506 170388099 /nfs/dbraw/zinc/38/80/99/170388099.db2.gz YEQARTZAKPVZCP-LLVKDONJSA-N 0 3 267.398 1.586 40 0 CDABHN CN(C)CCNC(=O)COc1cccc(C(F)(F)F)c1 ZINC000045164974 175318588 /nfs/dbraw/zinc/31/85/88/175318588.db2.gz HTFBAHROXWRSEF-UHFFFAOYSA-N 0 3 290.285 1.762 40 0 CDABHN CC(=O)NCC[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072367994 176382933 /nfs/dbraw/zinc/38/29/33/176382933.db2.gz OLFSAZVBMYOZHI-ZDUSSCGKSA-N 0 3 264.373 1.158 40 0 CDABHN CN1CCC[C@@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383487 176388887 /nfs/dbraw/zinc/38/88/87/176388887.db2.gz CODUKAZUXXQVIE-LBPRGKRZSA-N 0 3 284.367 1.895 40 0 CDABHN CCOc1ccccc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072397638 176394849 /nfs/dbraw/zinc/39/48/49/176394849.db2.gz YHFBDIDDXVRNDG-VNQPRFMTSA-N 0 3 290.407 1.725 40 0 CDABHN Cc1ccc(N2CC[C@H](CN)S2(=O)=O)c(C)c1 ZINC000260766176 328067271 /nfs/dbraw/zinc/06/72/71/328067271.db2.gz JEXCSOUHLBVDDG-LLVKDONJSA-N 0 3 254.355 1.171 40 0 CDABHN CCc1ccccc1N1CC[C@H](CN)S1(=O)=O ZINC000260781646 328069952 /nfs/dbraw/zinc/06/99/52/328069952.db2.gz UGFQVFQCRPEHDC-LLVKDONJSA-N 0 3 254.355 1.116 40 0 CDABHN Cc1noc(C2(C)CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000257245246 327128541 /nfs/dbraw/zinc/12/85/41/327128541.db2.gz IORDLQHJOPYRED-NWDGAFQWSA-N 0 3 265.357 1.645 40 0 CDABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096061119 185082241 /nfs/dbraw/zinc/08/22/41/185082241.db2.gz YVBLBGWJJRGRRM-CQSZACIVSA-N 0 3 292.379 1.881 40 0 CDABHN CCCN1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccco1 ZINC000247972653 362142104 /nfs/dbraw/zinc/14/21/04/362142104.db2.gz DPKWKMFMBGRXIX-GZBFAFLISA-N 0 3 292.379 1.899 40 0 CDABHN Cc1ccccc1CN1CC[C@@H]2OCCN(C)[C@H]2C1 ZINC000108535290 186222376 /nfs/dbraw/zinc/22/23/76/186222376.db2.gz BDKDBHZJXOSDSI-HOTGVXAUSA-N 0 3 260.381 1.900 40 0 CDABHN COc1cc(OC)c(C(=O)CCN(C)C)cc1OC ZINC000001591172 355941007 /nfs/dbraw/zinc/94/10/07/355941007.db2.gz ARXJZUOYENHWSN-UHFFFAOYSA-N 0 3 267.325 1.847 40 0 CDABHN CC(C)CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019446560 356485892 /nfs/dbraw/zinc/48/58/92/356485892.db2.gz BVBMJGHXVQXAEE-CQSZACIVSA-N 0 3 288.395 1.832 40 0 CDABHN CCCN1CCC(O)(c2cnc(OC)nc2OC)CC1 ZINC000019502613 356487644 /nfs/dbraw/zinc/48/76/44/356487644.db2.gz OYOJHIYMGLQKLD-UHFFFAOYSA-N 0 3 281.356 1.187 40 0 CDABHN CCN(C[C@H]1CCCN1CCO)C(=O)OC(C)(C)C ZINC000079407977 356991125 /nfs/dbraw/zinc/99/11/25/356991125.db2.gz ZTQBDYBNQBZWRD-GFCCVEGCSA-N 0 3 272.389 1.700 40 0 CDABHN COc1cccc(-c2nc(C)cc(N3CCNCC3)n2)c1 ZINC000058047129 357375608 /nfs/dbraw/zinc/37/56/08/357375608.db2.gz NYTQYOHZKWKMDD-UHFFFAOYSA-N 0 3 284.363 1.870 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1cccs1 ZINC000096184377 358714172 /nfs/dbraw/zinc/71/41/72/358714172.db2.gz FPNZJRXFSWPQSE-KGLIPLIRSA-N 0 3 293.436 1.485 40 0 CDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc(C)o1)CC2 ZINC000096206134 358720132 /nfs/dbraw/zinc/72/01/32/358720132.db2.gz DEOUDWMKPLKXDY-AWEZNQCLSA-N 0 3 292.379 1.563 40 0 CDABHN COc1cccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 ZINC000113954556 359439793 /nfs/dbraw/zinc/43/97/93/359439793.db2.gz AEVTYUUYZXYOBK-LBPRGKRZSA-N 0 3 292.379 1.673 40 0 CDABHN C[C@@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000027356616 359485323 /nfs/dbraw/zinc/48/53/23/359485323.db2.gz YKSYXOUHZNRPLC-RWMBFGLXSA-N 0 3 293.411 1.875 40 0 CDABHN C[C@@]1(O)CCN[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289807 360121347 /nfs/dbraw/zinc/12/13/47/360121347.db2.gz HOAMAKKRVFSODV-OFQRWUPVSA-N 0 3 274.364 1.367 40 0 biogenic,in-vitro CDABHN C[C@@H]1Cc2ccccc2N1C(=O)CNCCN(C)C ZINC000019498267 374743469 /nfs/dbraw/zinc/74/34/69/374743469.db2.gz ZTWZQALVMCFPGM-GFCCVEGCSA-N 0 3 261.369 1.115 40 0 CDABHN c1ccc(OCc2nn(CC3CC3)c3c2CNCC3)nc1 ZINC000306140136 374969865 /nfs/dbraw/zinc/96/98/65/374969865.db2.gz ULJRZJYIOQFRBR-UHFFFAOYSA-N 0 3 284.363 1.913 40 0 CDABHN c1ncn2c1CNC[C@@H](COCc1ccccn1)C2 ZINC000306140527 374972480 /nfs/dbraw/zinc/97/24/80/374972480.db2.gz UWIKDJDHMBKVOV-GFCCVEGCSA-N 0 3 258.325 1.214 40 0 CDABHN CC(C)Cn1cc(CNCCCN2CCOCC2)cn1 ZINC000256050140 190002916 /nfs/dbraw/zinc/00/29/16/190002916.db2.gz CXBFMOYMKFXLAB-UHFFFAOYSA-N 0 3 280.416 1.351 40 0 CDABHN O=C(CC1CCCCC1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257240951 190018709 /nfs/dbraw/zinc/01/87/09/190018709.db2.gz HVVZGSHVOMWSKG-HUUCEWRRSA-N 0 3 280.412 1.624 40 0 CDABHN OCCN1CCOC[C@H](Cc2cccc(F)c2)C1 ZINC000257264482 190023269 /nfs/dbraw/zinc/02/32/69/190023269.db2.gz LUOCDGBZAUMKJC-CYBMUJFWSA-N 0 3 253.317 1.309 40 0 CDABHN CNC(=O)c1cccc([C@H]2CN(CC3CC3)CCN2C)c1 ZINC000257314546 190032469 /nfs/dbraw/zinc/03/24/69/190032469.db2.gz UXLAUYFIIHVWLB-MRXNPFEDSA-N 0 3 287.407 1.745 40 0 CDABHN Cn1nccc1CN1C[C@@H]2[C@H](Nc3cccnn3)CC[C@@H]2C1 ZINC000257319383 190033429 /nfs/dbraw/zinc/03/34/29/190033429.db2.gz VSEOEGCDMITETO-VHDGCEQUSA-N 0 3 298.394 1.533 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079409612 390421063 /nfs/dbraw/zinc/42/10/63/390421063.db2.gz BNBNISXUSQPGGJ-RYUDHWBXSA-N 0 3 299.415 1.439 40 0 CDABHN CN1CCN([C@H]2CCCc3ccccc3[C@H]2O)CC1 ZINC000019366345 391320357 /nfs/dbraw/zinc/32/03/57/391320357.db2.gz PKTNMCFYIQOHGV-JKSUJKDBSA-N 0 3 260.381 1.672 40 0 CDABHN CSc1ncc(CNCCCn2ccnc2)cn1 ZINC000062717245 392803920 /nfs/dbraw/zinc/80/39/20/392803920.db2.gz RBFVSIUHMMDXMD-UHFFFAOYSA-N 0 3 263.370 1.575 40 0 CDABHN C[C@H]1OCC[C@]1(O)CNCc1cnn(C(C)(C)C)c1 ZINC000227966670 140187853 /nfs/dbraw/zinc/18/78/53/140187853.db2.gz VQUXOHCFKYKJDC-RISCZKNCSA-N 0 3 267.373 1.268 40 0 CDABHN NCc1ccnc(N2C(=O)c3ccccc3C2=O)c1 ZINC000199744569 397719605 /nfs/dbraw/zinc/71/96/05/397719605.db2.gz FDXCDQCQPBRNOP-UHFFFAOYSA-N 0 3 253.261 1.341 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1 ZINC000004497868 169973226 /nfs/dbraw/zinc/97/32/26/169973226.db2.gz MLRCYIBLWFRYGA-CQSZACIVSA-N 0 3 289.379 1.534 40 0 CDABHN CC[C@H](Oc1cccc(OC)c1)C(=O)NCCN(C)C ZINC000022519231 171389654 /nfs/dbraw/zinc/38/96/54/171389654.db2.gz AHBLTVNPPCYVPE-AWEZNQCLSA-N 0 3 280.368 1.530 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)COc1ccccc1 ZINC000039975616 174180410 /nfs/dbraw/zinc/18/04/10/174180410.db2.gz JJRIQODIVOXHFY-CYBMUJFWSA-N 0 3 262.353 1.666 40 0 CDABHN Cc1cc(C(=O)NCC2CC2)nc(C2CCN(C)CC2)n1 ZINC000072369322 176384235 /nfs/dbraw/zinc/38/42/35/176384235.db2.gz YZVNARHRLAHHMP-UHFFFAOYSA-N 0 3 288.395 1.734 40 0 CDABHN CN(C)C(=O)CCc1cccc([C@H]2CCCN(C)C2)n1 ZINC000072382831 176388196 /nfs/dbraw/zinc/38/81/96/176388196.db2.gz NJLHKSSETAOLMO-ZDUSSCGKSA-N 0 3 275.396 1.912 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCN(CCO)C1 ZINC000079408202 277178900 /nfs/dbraw/zinc/17/89/00/277178900.db2.gz ZIAOAZWYGPMUNF-CYBMUJFWSA-N 0 3 284.400 1.843 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NC1CCCCC1 ZINC000339577702 279331482 /nfs/dbraw/zinc/33/14/82/279331482.db2.gz IDPHKBPTFHOWIN-ZDUSSCGKSA-N 0 3 281.400 1.036 40 0 CDABHN CC(=O)Nc1cccc(NC(=O)C2CCN(C)CC2)c1 ZINC000074713390 567903825 /nfs/dbraw/zinc/90/38/25/567903825.db2.gz SBOOFVOZXZEYRM-UHFFFAOYSA-N 0 3 275.352 1.925 40 0 CDABHN CN1CCC(CC(=O)Nc2ccccc2C(N)=O)CC1 ZINC000074921028 567903846 /nfs/dbraw/zinc/90/38/46/567903846.db2.gz FWMQLVQAXVUKJZ-UHFFFAOYSA-N 0 3 275.352 1.456 40 0 CDABHN c1cnc(N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096053746 185074934 /nfs/dbraw/zinc/07/49/34/185074934.db2.gz PJCHVWHHISTKCQ-GASCZTMLSA-N 0 3 281.363 1.440 40 0 CDABHN CC(C)C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096080872 185091180 /nfs/dbraw/zinc/09/11/80/185091180.db2.gz ODNSROBKFBDQJA-HUUCEWRRSA-N 0 3 273.380 1.628 40 0 CDABHN Cc1ncc(CN2CCC[C@@]3(CCNC3=O)CC2)cn1 ZINC000108530840 282150918 /nfs/dbraw/zinc/15/09/18/282150918.db2.gz BWOBBONMUYIXIO-OAHLLOKOSA-N 0 3 274.368 1.277 40 0 CDABHN CC[C@@H](C)N1CCC[C@@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099472 342212109 /nfs/dbraw/zinc/21/21/09/342212109.db2.gz MBXKHOHUZYIKIJ-DOMZBBRYSA-N 0 3 274.368 1.704 40 0 CDABHN Cc1ccc(OC[C@@]2(O)CCCN(CCC(N)=O)C2)cc1 ZINC000585269198 342255171 /nfs/dbraw/zinc/25/51/71/342255171.db2.gz LJIOWSLJXGNRCX-MRXNPFEDSA-N 0 3 292.379 1.076 40 0 CDABHN CN(C)C(=O)CC[C@]1(O)CCCN(Cc2ccccc2)C1 ZINC000585276379 342256221 /nfs/dbraw/zinc/25/62/21/342256221.db2.gz NYFCYNPSOZBGQU-QGZVFWFLSA-N 0 3 290.407 1.882 40 0 CDABHN CCCC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019501355 356488237 /nfs/dbraw/zinc/48/82/37/356488237.db2.gz NOJYMEPZXLEPJV-ZDUSSCGKSA-N 0 3 274.368 1.586 40 0 CDABHN CN(Cc1ccccc1)C[C@H]1CCCCN1C(=O)CN ZINC000079415209 356994096 /nfs/dbraw/zinc/99/40/96/356994096.db2.gz DCCQCYZGIHGECG-OAHLLOKOSA-N 0 3 275.396 1.458 40 0 CDABHN O=C(N1CC2(C1)C[C@H](CO)CN2CC1CC1)C1(F)CCC1 ZINC000585093809 358099119 /nfs/dbraw/zinc/09/91/19/358099119.db2.gz GXXJPEFWDDNBRO-ZDUSSCGKSA-N 0 3 296.386 1.184 40 0 CDABHN C[C@@H]1C[C@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161630 358711466 /nfs/dbraw/zinc/71/14/66/358711466.db2.gz XBCJMRRVTVSQLB-HGTKMLMNSA-N 0 3 285.391 1.628 40 0 CDABHN Cc1cc(C(=O)N2CC[C@H]3[C@H]2CCN3CC(C)C)no1 ZINC000096184289 358714074 /nfs/dbraw/zinc/71/40/74/358714074.db2.gz UZTHHOCUVZNPJZ-UONOGXRCSA-N 0 3 277.368 1.928 40 0 CDABHN COCC(=O)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202762 358718982 /nfs/dbraw/zinc/71/89/82/358718982.db2.gz LEMLMPVQTDFCDW-UHFFFAOYSA-N 0 3 280.393 1.429 40 0 CDABHN Cn1cc(N2C[C@@H]3CN(Cc4ccco4)C[C@@H]3C2=O)cn1 ZINC000096245240 358725712 /nfs/dbraw/zinc/72/57/12/358725712.db2.gz UODQXUYRBIKKEW-FZMZJTMJSA-N 0 3 286.335 1.108 40 0 CDABHN CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(C)CC2 ZINC000096260444 358729470 /nfs/dbraw/zinc/72/94/70/358729470.db2.gz WJHQSEXEQWUVCG-UHFFFAOYSA-N 0 3 290.411 1.634 40 0 CDABHN Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CCNC4)no1 ZINC000100226851 358823421 /nfs/dbraw/zinc/82/34/21/358823421.db2.gz ZPDVMHLEPBHLMX-UHFFFAOYSA-N 0 3 271.280 1.044 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242592356 364572514 /nfs/dbraw/zinc/57/25/14/364572514.db2.gz OQXDVNIZXIIZRP-SRVKXCTJSA-N 0 3 299.415 1.628 40 0 CDABHN CN(C)C1(CN(C)C(=O)N[C@H]2CCC[C@H]2CCO)CCC1 ZINC000225472233 189753218 /nfs/dbraw/zinc/75/32/18/189753218.db2.gz OJVNVVPSHDWSBP-KBPBESRZSA-N 0 3 297.443 1.663 40 0 CDABHN CC1(C(=O)N2CCOC3(CNC3)C2)CCC(F)(F)CC1 ZINC000638437109 370064667 /nfs/dbraw/zinc/06/46/67/370064667.db2.gz IEKYGUVJYPOFKS-UHFFFAOYSA-N 0 3 288.338 1.403 40 0 CDABHN COC[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989931 375772079 /nfs/dbraw/zinc/77/20/79/375772079.db2.gz VIWMYMDRNJLKBZ-OLZOCXBDSA-N 0 3 269.366 1.133 40 0 CDABHN CCn1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)cn1 ZINC000257263752 190022247 /nfs/dbraw/zinc/02/22/47/190022247.db2.gz LRHGHAMJOYBGAB-ZDUSSCGKSA-N 0 3 259.357 1.924 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2nccc(C)n2)C1 ZINC000257320366 190033692 /nfs/dbraw/zinc/03/36/92/190033692.db2.gz VWMFHULBYFFNRV-CYBMUJFWSA-N 0 3 273.340 1.390 40 0 CDABHN NCc1cn(-c2ccccc2C(=O)NCC2CC2)cn1 ZINC000257334673 190036625 /nfs/dbraw/zinc/03/66/25/190036625.db2.gz YGXYCRYCNXXLAC-UHFFFAOYSA-N 0 3 270.336 1.471 40 0 CDABHN O=C1CO[C@H]2CN(C3CCC3)C[C@H]2N1c1ccccc1 ZINC000067897047 296341119 /nfs/dbraw/zinc/34/11/19/296341119.db2.gz IKAQBHCIIIPTBB-CABCVRRESA-N 0 3 272.348 1.655 40 0 biogenic,in-vitro CDABHN CC(=O)N1CCO[C@H]2CCN(Cc3ccc[nH]3)CC[C@H]21 ZINC000096249492 256834070 /nfs/dbraw/zinc/83/40/70/256834070.db2.gz JEBNGVPJHDYRET-CABCVRRESA-N 0 3 277.368 1.226 40 0 CDABHN CC(C)N1CCOC[C@@]2(CN(CC3CC3)CCO2)C1 ZINC000096049758 390912505 /nfs/dbraw/zinc/91/25/05/390912505.db2.gz DEYWVAAANHORRH-OAHLLOKOSA-N 0 3 268.401 1.208 40 0 CDABHN O=c1[nH]c2ccccc2cc1CNC[C@H]1CCCO1 ZINC000013998891 170615261 /nfs/dbraw/zinc/61/52/61/170615261.db2.gz ADVRDAPKXBOLAQ-CYBMUJFWSA-N 0 3 258.321 1.797 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(F)c(F)c1 ZINC000072397605 176395085 /nfs/dbraw/zinc/39/50/85/176395085.db2.gz CRZXLNYGXHEUCK-WCFLWFBJSA-N 0 3 282.334 1.604 40 0 CDABHN COCc1nc(C(=O)N2CCCC[C@H]2CN(C)C)cs1 ZINC000078455044 177343301 /nfs/dbraw/zinc/34/33/01/177343301.db2.gz GOODQLSJDODZBI-NSHDSACASA-N 0 3 297.424 1.846 40 0 CDABHN CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1cnn(C)c1)C2 ZINC000108535041 277008571 /nfs/dbraw/zinc/00/85/71/277008571.db2.gz WWXJGNFSFMFEPB-ZFWWWQNUSA-N 0 3 276.384 1.158 40 0 CDABHN C[C@@H](NCCCN1CCOCC1)C(=O)NC1CCCCC1 ZINC000096942711 278345750 /nfs/dbraw/zinc/34/57/50/278345750.db2.gz VVEGDZORPPLSSB-CQSZACIVSA-N 0 3 297.443 1.136 40 0 CDABHN Cc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1C ZINC000260769233 328066114 /nfs/dbraw/zinc/06/61/14/328066114.db2.gz KPJBVYJNFSOEQJ-GFCCVEGCSA-N 0 3 254.355 1.171 40 0 CDABHN O=C1NCCC12CCN(Cc1ccsc1)CC2 ZINC000096046689 185071953 /nfs/dbraw/zinc/07/19/53/185071953.db2.gz GQCKNNYSQQXJJK-UHFFFAOYSA-N 0 3 250.367 1.850 40 0 CDABHN O=C(c1cscn1)N1CCC2(CN(CC3CC3)C2)C1 ZINC000096046449 185072039 /nfs/dbraw/zinc/07/20/39/185072039.db2.gz JHHOQXAZLJGHJJ-UHFFFAOYSA-N 0 3 277.393 1.701 40 0 CDABHN CN1CCC[C@]2(C1)CN(Cc1ccoc1)CCO2 ZINC000096049062 185073134 /nfs/dbraw/zinc/07/31/34/185073134.db2.gz QYYDLRCTHQLXTR-AWEZNQCLSA-N 0 3 250.342 1.576 40 0 CDABHN O=C1COC2(CCN(Cc3ccsc3)CC2)CN1 ZINC000096062123 185082968 /nfs/dbraw/zinc/08/29/68/185082968.db2.gz YZVVHFUHFJQWRM-UHFFFAOYSA-N 0 3 266.366 1.229 40 0 CDABHN CO[C@@H]1CCN(CC(=O)N(C)C)[C@H]1Cc1ccccc1 ZINC000096069813 185086050 /nfs/dbraw/zinc/08/60/50/185086050.db2.gz WTYHVSUIVJPQDI-LSDHHAIUSA-N 0 3 276.380 1.407 40 0 CDABHN Cn1cc(CN2CCc3ncnc(NC4CC4)c3CC2)cn1 ZINC000096084023 185092909 /nfs/dbraw/zinc/09/29/09/185092909.db2.gz JJXPQTLSJDFSNB-UHFFFAOYSA-N 0 3 298.394 1.385 40 0 CDABHN CCCC[C@H](N)C(=O)N1CC[C@@H]2OC(C)(C)C[C@@H]2C1 ZINC000585285947 342258647 /nfs/dbraw/zinc/25/86/47/342258647.db2.gz URWDKFRSHLALIU-AGIUHOORSA-N 0 3 268.401 1.920 40 0 CDABHN CO[C@H]1CN(C(=O)C2CCN(C)CC2)CC[C@@]12CCCO2 ZINC000257274861 362581838 /nfs/dbraw/zinc/58/18/38/362581838.db2.gz NMXMFPJPQVXVPV-HOCLYGCPSA-N 0 3 296.411 1.125 40 0 CDABHN CCOC(=O)C1=CN(CCN(C)C)/C(=C\N=O)C=C1 ZINC000038176989 348739355 /nfs/dbraw/zinc/73/93/55/348739355.db2.gz WJZFGYKKLOGFQI-XFXZXTDPSA-N 0 3 265.313 1.475 40 0 CDABHN c1cncc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000096110687 348741732 /nfs/dbraw/zinc/74/17/32/348741732.db2.gz ZMTYQXUKEAIMMR-IAGOWNOFSA-N 0 3 287.407 1.767 40 0 CDABHN Cn1cc2c(n1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059688 282698780 /nfs/dbraw/zinc/69/87/80/282698780.db2.gz AKUSKNPARPRJOD-ZDUSSCGKSA-N 0 3 258.325 1.219 40 0 CDABHN CCCn1cc2c(n1)nc(N1CCNCC1)cc2C ZINC000012398908 356297701 /nfs/dbraw/zinc/29/77/01/356297701.db2.gz SWANHQHDRHSHHG-UHFFFAOYSA-N 0 3 259.357 1.559 40 0 CDABHN NC(=O)CCN1CCC[C@H](n2c3ccccc3oc2=O)C1 ZINC000019376625 356483950 /nfs/dbraw/zinc/48/39/50/356483950.db2.gz YNNYGEDCBGYQTQ-NSHDSACASA-N 0 3 289.335 1.107 40 0 CDABHN N[C@@H](CC(=O)NCc1ccccn1)c1ccccc1 ZINC000019517633 366330438 /nfs/dbraw/zinc/33/04/38/366330438.db2.gz ZCFYNXFCLMTZHI-AWEZNQCLSA-N 0 3 255.321 1.788 40 0 CDABHN C[C@H](N)C(=O)NCc1cccc(Br)c1 ZINC000042419105 356875039 /nfs/dbraw/zinc/87/50/39/356875039.db2.gz VIUVXBCMYWHMOO-ZETCQYMHSA-N 0 3 257.131 1.413 40 0 CDABHN CN(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391649 356988167 /nfs/dbraw/zinc/98/81/67/356988167.db2.gz DTTWTJTZTGLXCU-OAHLLOKOSA-N 0 3 292.379 1.712 40 0 CDABHN CSc1nccnc1CN(C)C(=O)[C@@H](N)C(C)C ZINC000079435736 356996342 /nfs/dbraw/zinc/99/63/42/356996342.db2.gz MGFXTWWCTIKIDP-JTQLQIEISA-N 0 3 268.386 1.140 40 0 CDABHN CN(C)C(=O)c1n[nH]c2c1CN(Cc1ccccc1)CC2 ZINC000096187380 358714975 /nfs/dbraw/zinc/71/49/75/358714975.db2.gz FXKRVLVWXWBFFV-UHFFFAOYSA-N 0 3 284.363 1.670 40 0 CDABHN COCCN1CCC(NC(=O)c2cc(C)oc2C)CC1 ZINC000064492514 360179381 /nfs/dbraw/zinc/17/93/81/360179381.db2.gz QSGUHMNQMBJLML-UHFFFAOYSA-N 0 3 280.368 1.737 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C ZINC000339470980 371920758 /nfs/dbraw/zinc/92/07/58/371920758.db2.gz KQWCSSHIRQMCBG-MCIONIFRSA-N 0 3 295.427 1.282 40 0 CDABHN CSCC[C@@H](N)C(=O)N(C)Cc1ccc(F)cc1 ZINC000130822342 373752429 /nfs/dbraw/zinc/75/24/29/373752429.db2.gz BVNZFBNYQUCYCO-GFCCVEGCSA-N 0 3 270.373 1.865 40 0 CDABHN O=c1[n-]c([C@H]2CC[NH2+]C2)nc2c1CCN(C1CCCC1)C2 ZINC000257335472 374421631 /nfs/dbraw/zinc/42/16/31/374421631.db2.gz YKGNIHMLFPJZHF-NSHDSACASA-N 0 3 288.395 1.560 40 0 CDABHN COCCN1CC[C@@H]2[C@H]1CCN2C(=O)c1cscn1 ZINC000306124402 374968427 /nfs/dbraw/zinc/96/84/27/374968427.db2.gz BOTQCHMKWAFTCY-VXGBXAGGSA-N 0 3 281.381 1.078 40 0 CDABHN Cc1ncc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000257228726 190016423 /nfs/dbraw/zinc/01/64/23/190016423.db2.gz FUZPPITUPSXXSR-MRXNPFEDSA-N 0 3 268.364 1.932 40 0 CDABHN COCCC(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000063528483 378303777 /nfs/dbraw/zinc/30/37/77/378303777.db2.gz PJLZKLLSJBUEFE-KBPBESRZSA-N 0 3 289.379 1.008 40 0 CDABHN CN(C)CC(C[NH+](C)C)C(=O)c1ccc([O-])cc1 ZINC000001580571 390139052 /nfs/dbraw/zinc/13/90/52/390139052.db2.gz VOSMPDUOMWFRTG-UHFFFAOYSA-N 0 3 250.342 1.314 40 0 CDABHN COc1ccc(OC)c([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000036101343 390480170 /nfs/dbraw/zinc/48/01/70/390480170.db2.gz QTTXXVGVYBTEEU-JMSVASOKSA-N 0 3 294.395 1.813 40 0 CDABHN CC(=O)N1CCCC[C@@H]1c1cccnc1N1CCNCC1 ZINC000072216376 390621158 /nfs/dbraw/zinc/62/11/58/390621158.db2.gz JQPAQJBIUTZMJR-OAHLLOKOSA-N 0 3 288.395 1.565 40 0 CDABHN COc1ccc(Cl)c2c(=O)c3c([n-]c12)CC[NH2+]C3 ZINC000072221264 390626301 /nfs/dbraw/zinc/62/63/01/390626301.db2.gz GIKUTDVRPHCMSU-UHFFFAOYSA-N 0 3 264.712 1.836 40 0 CDABHN CO[C@H]1CCCOC12CCN(Cc1cnn(C)c1C)CC2 ZINC000257220589 391648519 /nfs/dbraw/zinc/64/85/19/391648519.db2.gz DLHQARSFRSCILV-HNNXBMFYSA-N 0 3 293.411 1.889 40 0 CDABHN CN(C)C[C@H](O)COC12CC3CC(CC(C3)C1)C2 ZINC000010434638 392019300 /nfs/dbraw/zinc/01/93/00/392019300.db2.gz KZQQUKBUYQSNCH-IHXHZNKUSA-N 0 3 253.386 1.894 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2[nH]c1=O ZINC000040039603 174184164 /nfs/dbraw/zinc/18/41/64/174184164.db2.gz ROOQIVWHRMULLO-ZDUSSCGKSA-N 0 3 299.374 1.742 40 0 CDABHN c1cn(-c2cncc([C@@H]3CCCN3C3CCOCC3)n2)cn1 ZINC000072355618 176375215 /nfs/dbraw/zinc/37/52/15/176375215.db2.gz NSEAICKWZIWNCP-HNNXBMFYSA-N 0 3 299.378 1.978 40 0 CDABHN OCCN1CCC[C@@H](c2cccc(Nc3ncccn3)n2)C1 ZINC000072383045 176388427 /nfs/dbraw/zinc/38/84/27/176388427.db2.gz KCRZOXYDBWSMNN-CYBMUJFWSA-N 0 3 299.378 1.787 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1Cl ZINC000072397583 176394730 /nfs/dbraw/zinc/39/47/30/176394730.db2.gz GVAKMIRFGJFDNU-FPMFFAJLSA-N 0 3 280.799 1.979 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397680 176395204 /nfs/dbraw/zinc/39/52/04/176395204.db2.gz WQIPPZZZQOEEBA-VCTAVGKDSA-N 0 3 282.334 1.604 40 0 CDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000083318379 260189217 /nfs/dbraw/zinc/18/92/17/260189217.db2.gz IUAIUTQQJMTBTQ-HBNTYKKESA-N 0 3 285.388 1.286 40 0 CDABHN CN1CCC[C@@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 ZINC000046087386 423938955 /nfs/dbraw/zinc/93/89/55/423938955.db2.gz LNEZLZQNIHGLNV-SFHVURJKSA-N 0 3 299.418 1.983 40 0 CDABHN COc1ccc([C@H](N)c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095533738 185007636 /nfs/dbraw/zinc/00/76/36/185007636.db2.gz PYWSDXLDABYWSV-NEPJUHHUSA-N 0 3 274.324 1.713 40 0 CDABHN CN(C)C(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053912 185076573 /nfs/dbraw/zinc/07/65/73/185076573.db2.gz DDLZWKLCCKHDCY-OKILXGFUSA-N 0 3 291.370 1.871 40 0 CDABHN c1cc(CN2CCO[C@H]3CN(CC4CCC4)C[C@H]32)ccn1 ZINC000096081739 185091439 /nfs/dbraw/zinc/09/14/39/185091439.db2.gz MVFHERLDRVHJAR-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccc(OC)cc1)C2 ZINC000096108622 185100356 /nfs/dbraw/zinc/10/03/56/185100356.db2.gz ANLUBALTMJTMRM-GDBMZVCRSA-N 0 3 277.364 1.790 40 0 CDABHN CCCCN1CCC[C@@]2(CC(C(=O)NCCC)=NO2)C1 ZINC000585101152 342212391 /nfs/dbraw/zinc/21/23/91/342212391.db2.gz JZPWJYDCECURRH-OAHLLOKOSA-N 0 3 281.400 1.924 40 0 CDABHN CNc1cc([C@H]2CCCN2C(=O)C2(N)CCCC2)ccn1 ZINC000585181498 342232742 /nfs/dbraw/zinc/23/27/42/342232742.db2.gz QRQSJLOATIAWRX-CYBMUJFWSA-N 0 3 288.395 1.480 40 0 CDABHN CNC(=O)C[C@]1(COC)CCCN1Cc1ccc(C)nc1 ZINC000585276488 342256425 /nfs/dbraw/zinc/25/64/25/342256425.db2.gz PAYALVUKHIRSKH-INIZCTEOSA-N 0 3 291.395 1.507 40 0 CDABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)CO)cc12 ZINC000585292536 342259043 /nfs/dbraw/zinc/25/90/43/342259043.db2.gz KGQDEOQBBUSOSE-GFCCVEGCSA-N 0 3 276.336 1.000 40 0 CDABHN COCCN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 ZINC000107785547 186190686 /nfs/dbraw/zinc/19/06/86/186190686.db2.gz QFUGTLDKZSMHCV-CABCVRRESA-N 0 3 278.352 1.340 40 0 CDABHN CCOc1cncc(CN[C@H]2CCc3nnc(C)n3C2)c1 ZINC000621331514 350548673 /nfs/dbraw/zinc/54/86/73/350548673.db2.gz DFXULHPAACHPQS-ZDUSSCGKSA-N 0 3 287.367 1.485 40 0 CDABHN CCOC(=O)[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987625 363010010 /nfs/dbraw/zinc/01/00/10/363010010.db2.gz HMHXGAGTKLGKGK-JSGCOSHPSA-N 0 3 297.376 1.049 40 0 CDABHN COC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217989782 363024840 /nfs/dbraw/zinc/02/48/40/363024840.db2.gz VIWMYMDRNJLKBZ-STQMWFEESA-N 0 3 269.366 1.133 40 0 CDABHN Cc1cc(N2CCNCC2)nc2nn(C(C)C)cc21 ZINC000012398907 356297883 /nfs/dbraw/zinc/29/78/83/356297883.db2.gz RCEDPEWWIRAJKI-UHFFFAOYSA-N 0 3 259.357 1.730 40 0 CDABHN CCCC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019501626 356487376 /nfs/dbraw/zinc/48/73/76/356487376.db2.gz IMFAXAULTDGKPI-ZDUSSCGKSA-N 0 3 274.368 1.586 40 0 CDABHN CC[C@H](Oc1ccc(F)cc1)C(=O)NCCN(C)C ZINC000030756427 356752938 /nfs/dbraw/zinc/75/29/38/356752938.db2.gz VEKINKGPRTWZJN-ZDUSSCGKSA-N 0 3 268.332 1.661 40 0 CDABHN NCC(=O)N(C[C@H]1CCCN1Cc1ccccc1)C1CC1 ZINC000079404293 356991178 /nfs/dbraw/zinc/99/11/78/356991178.db2.gz NIBGJGRALHGNIQ-MRXNPFEDSA-N 0 3 287.407 1.601 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404412 356991267 /nfs/dbraw/zinc/99/12/67/356991267.db2.gz CDRBADUMCKUHRH-DZGCQCFKSA-N 0 3 275.396 1.457 40 0 CDABHN C[C@H](N)C(=O)N1CC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409855 356992344 /nfs/dbraw/zinc/99/23/44/356992344.db2.gz NTDGNDBPYIFROP-JQWIXIFHSA-N 0 3 297.399 1.334 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)Cc1nccnc1Cl ZINC000079435783 356996147 /nfs/dbraw/zinc/99/61/47/356996147.db2.gz RDXCQCNJEDBKDE-VIFPVBQESA-N 0 3 256.737 1.072 40 0 CDABHN CN1CCC(C(=O)NCCCOC2CCCC2)CC1 ZINC000073174318 357870720 /nfs/dbraw/zinc/87/07/20/357870720.db2.gz XDCQCOSICPAVCX-UHFFFAOYSA-N 0 3 268.401 1.794 40 0 CDABHN O=C1N(CC2CC2)CC12CCN(Cc1ccccn1)CC2 ZINC000096202854 358719376 /nfs/dbraw/zinc/71/93/76/358719376.db2.gz SSSJZJAHVTXNMZ-UHFFFAOYSA-N 0 3 285.391 1.916 40 0 CDABHN CC(C)CCN1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248860 358726791 /nfs/dbraw/zinc/72/67/91/358726791.db2.gz DUGKINZEMKOWKF-KGLIPLIRSA-N 0 3 294.374 1.551 40 0 CDABHN Cc1ccc(C(=O)N2CCC[C@@]3(CNCCO3)C2)cc1 ZINC000096268855 358730664 /nfs/dbraw/zinc/73/06/64/358730664.db2.gz CBTAGUMFXQZLAK-MRXNPFEDSA-N 0 3 274.364 1.590 40 0 CDABHN COc1ccc([C@]2(C)CC(CN)=NO2)cc1OC ZINC000222551452 359354080 /nfs/dbraw/zinc/35/40/80/359354080.db2.gz XJCDMLIHZIXXBS-ZDUSSCGKSA-N 0 3 250.298 1.654 40 0 CDABHN NC[C@H]1CCN(Cc2ccc(Cl)cc2)S1(=O)=O ZINC000222537596 359351862 /nfs/dbraw/zinc/35/18/62/359351862.db2.gz ZRQKOGUCJBDTKO-LLVKDONJSA-N 0 3 274.773 1.203 40 0 CDABHN COCCN1CCC(NC(=O)c2cccc(OC)c2)CC1 ZINC000042156367 364530209 /nfs/dbraw/zinc/53/02/09/364530209.db2.gz RQKKOWYWHBGREI-UHFFFAOYSA-N 0 3 292.379 1.536 40 0 CDABHN NC[C@@H](C(=O)N1CCC(n2cncn2)CC1)c1ccccc1 ZINC000225471140 374480839 /nfs/dbraw/zinc/48/08/39/374480839.db2.gz DWFQXQOFLRFBTE-OAHLLOKOSA-N 0 3 299.378 1.184 40 0 CDABHN COc1cc(OC)cc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000019840899 374806123 /nfs/dbraw/zinc/80/61/23/374806123.db2.gz SZEXTGUURAXLBJ-MKBNYLNASA-N 0 3 294.395 1.813 40 0 CDABHN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC[C@@H](N(C)C)C1 ZINC000080529661 374955351 /nfs/dbraw/zinc/95/53/51/374955351.db2.gz GONYOMOXGXABBV-CHWSQXEVSA-N 0 3 299.415 1.310 40 0 CDABHN CNCC(=O)N1CCC[C@@H](c2ccnc(NC)c2)C1 ZINC000257220315 190014871 /nfs/dbraw/zinc/01/48/71/190014871.db2.gz DKJBAQSUJGVBSY-GFCCVEGCSA-N 0 3 262.357 1.049 40 0 CDABHN OC1(CN2CCC[C@H](c3cnccn3)C2)CCOCC1 ZINC000257299189 190029491 /nfs/dbraw/zinc/02/94/91/190029491.db2.gz RPBIVKGVWJRWLB-ZDUSSCGKSA-N 0 3 277.368 1.198 40 0 CDABHN CN1CCC[C@H](c2cncc(C(=O)NCC3CC3)n2)C1 ZINC000257316797 190032763 /nfs/dbraw/zinc/03/27/63/190032763.db2.gz VHAKYMNAYKSJHF-LBPRGKRZSA-N 0 3 274.368 1.426 40 0 CDABHN O=C(c1ccoc1)N1CCC2(CN(C[C@H]3CCOC3)C2)C1 ZINC000096202698 256822936 /nfs/dbraw/zinc/82/29/36/256822936.db2.gz MEUWNXYPHHVVBH-CYBMUJFWSA-N 0 3 290.363 1.464 40 0 CDABHN CC(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418130 390421885 /nfs/dbraw/zinc/42/18/85/390421885.db2.gz HMORCFYIDHFFMX-ILXRZTDVSA-N 0 3 295.427 1.408 40 0 CDABHN C[C@@H](Oc1ncc(Br)cn1)[C@H]1CCN(C)C1 ZINC000096515821 390533104 /nfs/dbraw/zinc/53/31/04/390533104.db2.gz ZRRRAEIZYIQRST-BDAKNGLRSA-N 0 3 286.173 1.958 40 0 CDABHN CN1CCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 ZINC000072216508 390621102 /nfs/dbraw/zinc/62/11/02/390621102.db2.gz QWCOKQBOPGXDAF-CQSZACIVSA-N 0 3 260.385 1.600 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@H]1c1ccc(OC)c(OC)c1 ZINC000242688237 391589388 /nfs/dbraw/zinc/58/93/88/391589388.db2.gz VLUQFGBQDHELRD-NWDGAFQWSA-N 0 3 279.336 1.522 40 0 CDABHN CC(C)CN1C[C@@H]2[C@H](C1)OCC(=O)N2c1ccccc1 ZINC000067897055 391964029 /nfs/dbraw/zinc/96/40/29/391964029.db2.gz XBZFBDHVFRVFSG-CABCVRRESA-N 0 3 274.364 1.759 40 0 biogenic,in-vitro CDABHN Cc1nc(CN2CCC[C@@]3(CNCCO3)C2)cs1 ZINC000096226813 393009976 /nfs/dbraw/zinc/00/99/76/393009976.db2.gz INZIPKJJZCWIBU-CYBMUJFWSA-N 0 3 267.398 1.406 40 0 CDABHN C[C@H]1Oc2ncc(Cl)cc2N(CCN(C)C)C1=O ZINC000005721845 134658477 /nfs/dbraw/zinc/65/84/77/134658477.db2.gz PJGMSCQORHCNPE-MRVPVSSYSA-N 0 3 269.732 1.411 40 0 CDABHN CCN(CC)C(=O)[C@@H](N)Cc1ccc(OC)cc1 ZINC000005807552 170142149 /nfs/dbraw/zinc/14/21/49/170142149.db2.gz PATHQBZMXUMEQX-ZDUSSCGKSA-N 0 3 250.342 1.433 40 0 CDABHN NC(=S)Nc1n[nH]c(-c2ccccc2)c1C(N)=S ZINC000006414255 170199414 /nfs/dbraw/zinc/19/94/14/170199414.db2.gz ZSPMDAYWOOTPSZ-UHFFFAOYSA-N 0 3 277.378 1.366 40 0 CDABHN COc1ccc(NC(=O)CNCCN2CCCCC2)cc1 ZINC000035311506 172122366 /nfs/dbraw/zinc/12/23/66/172122366.db2.gz CZWMBPVIRCJFRN-UHFFFAOYSA-N 0 3 291.395 1.709 40 0 CDABHN CCOc1ccc2c(c1)c(=O)c1c(n2C)CCNC1 ZINC000072221278 176342650 /nfs/dbraw/zinc/34/26/50/176342650.db2.gz GDMRUQKVDCKLJV-UHFFFAOYSA-N 0 3 258.321 1.583 40 0 CDABHN Cc1cc(C(=O)N2CCCN(CC3CC3)CC2)n(C)n1 ZINC000072254223 176350372 /nfs/dbraw/zinc/35/03/72/176350372.db2.gz KFNOIYYHYPCBHG-UHFFFAOYSA-N 0 3 276.384 1.286 40 0 CDABHN Cc1nc(NCc2ccco2)nc2c1CN(C)CC2 ZINC000072415034 176399191 /nfs/dbraw/zinc/39/91/91/176399191.db2.gz SAZBIMZKBWCXMW-UHFFFAOYSA-N 0 3 258.325 1.978 40 0 CDABHN CC(C)c1ccccc1N1CC[C@@H](CN)S1(=O)=O ZINC000222540873 276060671 /nfs/dbraw/zinc/06/06/71/276060671.db2.gz WEAWXQBJHHQPNN-NSHDSACASA-N 0 3 268.382 1.677 40 0 CDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096058275 277245065 /nfs/dbraw/zinc/24/50/65/277245065.db2.gz USZXLHMVZXYJEK-HZSPNIEDSA-N 0 3 278.352 1.253 40 0 CDABHN CC[C@@H](O)[C@@H]1CCCCN1CCN1CCOC1=O ZINC000076325342 280210391 /nfs/dbraw/zinc/21/03/91/280210391.db2.gz PHRBDCPEMDIBGR-NWDGAFQWSA-N 0 3 256.346 1.064 40 0 CDABHN Cc1cc(C)c(N2CC[C@@H](CN)S2(=O)=O)c(C)c1 ZINC000222541153 280386284 /nfs/dbraw/zinc/38/62/84/280386284.db2.gz RTZHEBZXACIKNJ-LBPRGKRZSA-N 0 3 268.382 1.479 40 0 CDABHN CSCC[C@@H](N)C(=O)N1CCOC2(CCCC2)C1 ZINC000157542086 342004068 /nfs/dbraw/zinc/00/40/68/342004068.db2.gz MGOMLAYRMWRZHZ-LLVKDONJSA-N 0 3 272.414 1.238 40 0 CDABHN c1cn(C[C@H]2CO[C@]3(C2)COCCN(CC2CC2)C3)cn1 ZINC000096052079 185074570 /nfs/dbraw/zinc/07/45/70/185074570.db2.gz PKAXKJCIPPEIKT-HOTGVXAUSA-N 0 3 291.395 1.401 40 0 CDABHN COc1ccc(CN2CC[C@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096056446 185078121 /nfs/dbraw/zinc/07/81/21/185078121.db2.gz HZHCBXPDCQUAHW-KGLIPLIRSA-N 0 3 260.337 1.548 40 0 CDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@@H]2OC ZINC000096109395 185100366 /nfs/dbraw/zinc/10/03/66/185100366.db2.gz OREWWAGSTKVMET-MJBXVCDLSA-N 0 3 294.420 1.929 40 0 CDABHN Cn1cc(CN2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110628 185101070 /nfs/dbraw/zinc/10/10/70/185101070.db2.gz JNNFXHYLKZATFK-CALCHBBNSA-N 0 3 297.406 1.379 40 0 CDABHN CC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000585260811 342249060 /nfs/dbraw/zinc/24/90/60/342249060.db2.gz FPJGGSHKDZCDEQ-IRXDYDNUSA-N 0 3 288.391 1.417 40 0 CDABHN COc1ccc2c3c1O[C@H]1C[C@@H](O)C=C[C@]31CCN(C)C2 ZINC000003872661 356012218 /nfs/dbraw/zinc/01/22/18/356012218.db2.gz ASUTZQLVASHGKV-RVSPLBMKSA-N 0 3 287.359 1.850 40 0 biogenic CDABHN Cc1c2c(nn1C)nc(N1CCNCC1)cc2C(F)F ZINC000012398906 356298018 /nfs/dbraw/zinc/29/80/18/356298018.db2.gz SOCXOVLELPHGPJ-UHFFFAOYSA-N 0 3 281.310 1.624 40 0 CDABHN c1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)nc1 ZINC000019401875 356484194 /nfs/dbraw/zinc/48/41/94/356484194.db2.gz AMEUGNSHBJKPDF-INIZCTEOSA-N 0 3 295.390 1.854 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391375 356988295 /nfs/dbraw/zinc/98/82/95/356988295.db2.gz PKWVRVJWVRKMRD-NEPJUHHUSA-N 0 3 299.415 1.485 40 0 CDABHN CN(C(=O)CN)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404152 356989438 /nfs/dbraw/zinc/98/94/38/356989438.db2.gz UAMBYWJSZMCXEZ-AWEZNQCLSA-N 0 3 261.369 1.068 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000079409971 356992718 /nfs/dbraw/zinc/99/27/18/356992718.db2.gz OAFVRMHLHJWKMK-NEPJUHHUSA-N 0 3 299.415 1.485 40 0 CDABHN CN(C)c1nccnc1[C@H]1CCCN1C1CCOCC1 ZINC000072364355 357831136 /nfs/dbraw/zinc/83/11/36/357831136.db2.gz ZKXNTVNVDAXERO-CYBMUJFWSA-N 0 3 276.384 1.859 40 0 CDABHN CN1CC[C@@]2(C1)CCC[C@H](CNC(=O)c1cccn1C)O2 ZINC000096206734 358719965 /nfs/dbraw/zinc/71/99/65/358719965.db2.gz PUABWTNSQIJZBM-CZUORRHYSA-N 0 3 291.395 1.398 40 0 CDABHN CN(C)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096224798 358723249 /nfs/dbraw/zinc/72/32/49/358723249.db2.gz NFFNJJHRRGFYFP-GFCCVEGCSA-N 0 3 281.425 1.828 40 0 CDABHN CCS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000096245391 358725482 /nfs/dbraw/zinc/72/54/82/358725482.db2.gz DYIFVZMJMVTUJL-HUUCEWRRSA-N 0 3 294.420 1.400 40 0 CDABHN Cn1cnc2c1CCN(CC1CC1)[C@@H]2CN1CCCC1 ZINC000096259797 358729820 /nfs/dbraw/zinc/72/98/20/358729820.db2.gz XVYIUAYSSCIWKH-OAHLLOKOSA-N 0 3 274.412 1.825 40 0 CDABHN CNC(=O)N1Cc2cc(F)ccc2C2(CCN(C)CC2)C1 ZINC000096261756 358730983 /nfs/dbraw/zinc/73/09/83/358730983.db2.gz MABPUWYQPPTWLA-UHFFFAOYSA-N 0 3 291.370 1.944 40 0 CDABHN CCOc1cc(CN2CCC(C(N)=O)CC2)ccc1O ZINC000033767902 360175980 /nfs/dbraw/zinc/17/59/80/360175980.db2.gz SVCOMDDFMAWGHD-UHFFFAOYSA-N 0 3 278.352 1.488 40 0 CDABHN CCCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000192679945 363971138 /nfs/dbraw/zinc/97/11/38/363971138.db2.gz YWWXIZPUZBXWFK-UHFFFAOYSA-N 0 3 293.367 1.092 40 0 CDABHN COc1cc(OC)cc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000019840892 374805941 /nfs/dbraw/zinc/80/59/41/374805941.db2.gz SZEXTGUURAXLBJ-BFQNTYOBSA-N 0 3 294.395 1.813 40 0 CDABHN CN1CCC[C@H](n2ncc3cnc(Cl)nc32)C1 ZINC000095097370 374871302 /nfs/dbraw/zinc/87/13/02/374871302.db2.gz LCDGTXXINHMRGO-VIFPVBQESA-N 0 3 251.721 1.746 40 0 CDABHN CN(C)CCNC(=O)c1cn(-c2ccc(F)cc2)cn1 ZINC000227115345 375445264 /nfs/dbraw/zinc/44/52/64/375445264.db2.gz GOVGAUHRDLJXEA-UHFFFAOYSA-N 0 3 276.315 1.303 40 0 CDABHN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(CCO)C2)n1 ZINC000257200760 190011008 /nfs/dbraw/zinc/01/10/08/190011008.db2.gz AEUIGAITODSFCO-GFCCVEGCSA-N 0 3 287.367 1.347 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)c2cc3c(s2)CCC3)C1 ZINC000257229696 190015964 /nfs/dbraw/zinc/01/59/64/190015964.db2.gz FZEJHGPTVZSCGE-OAHLLOKOSA-N 0 3 294.420 1.375 40 0 CDABHN Cn1nccc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257232981 190017140 /nfs/dbraw/zinc/01/71/40/190017140.db2.gz GNFFZSRAJMAKIN-ZFWWWQNUSA-N 0 3 276.384 1.509 40 0 CDABHN CNCC(=O)N1CCC[C@H](c2ccnc(NC)c2)C1 ZINC000257220316 190014968 /nfs/dbraw/zinc/01/49/68/190014968.db2.gz DKJBAQSUJGVBSY-LBPRGKRZSA-N 0 3 262.357 1.049 40 0 CDABHN CNC(=O)[C@@H]1CN(C)CCN(Cc2cccc(F)c2F)C1 ZINC000257275244 190024933 /nfs/dbraw/zinc/02/49/33/190024933.db2.gz NOMXRRLHKJXWDF-GFCCVEGCSA-N 0 3 297.349 1.074 40 0 CDABHN CC(C)N1CCC[C@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284707 397607438 /nfs/dbraw/zinc/60/74/38/397607438.db2.gz PDXGTZIYWXDRBS-NSHDSACASA-N 0 3 287.367 1.416 40 0 CDABHN c1cncc(N2CCO[C@H]3CN(C[C@@H]4CCOC4)C[C@H]32)c1 ZINC000096081755 398070423 /nfs/dbraw/zinc/07/04/23/398070423.db2.gz SFVFBDLXHMYXQE-IMJJTQAJSA-N 0 3 289.379 1.008 40 0 CDABHN CCOC(=O)[C@@H]1C(C)[C@@H](C(=O)OCC)[C@H](C)N[C@@H]1C ZINC000004404177 285856550 /nfs/dbraw/zinc/85/65/50/285856550.db2.gz LORBKPOPJYPMLM-UPUXHGCUSA-N 0 3 271.357 1.361 40 0 CDABHN CCOC(=O)c1cn2ccccc2c(C(C)=O)c1=N ZINC000005373944 170090337 /nfs/dbraw/zinc/09/03/37/170090337.db2.gz LTHKQQSMKMEBQF-UHFFFAOYSA-N 0 3 258.277 1.798 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391225 289762902 /nfs/dbraw/zinc/76/29/02/289762902.db2.gz REDRTODBLIBYAX-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccc(CO)o1 ZINC000039560680 174170279 /nfs/dbraw/zinc/17/02/79/174170279.db2.gz FTSFPPXHMMUANZ-MELADBBJSA-N 0 3 278.396 1.982 40 0 biogenic,in-vitro CDABHN CC[C@H](Oc1ccccc1C)C(=O)NCCN(C)C ZINC000044902628 175274539 /nfs/dbraw/zinc/27/45/39/175274539.db2.gz MZLJZLNNRAJDDA-ZDUSSCGKSA-N 0 3 264.369 1.830 40 0 CDABHN Cc1cnc(C[C@@H]2COCCN(C3CCOCC3)C2)cn1 ZINC000072388208 176393438 /nfs/dbraw/zinc/39/34/38/176393438.db2.gz VTYKYRBEUYOQCE-AWEZNQCLSA-N 0 3 291.395 1.455 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3ccccn3)C[C@H]21 ZINC000072397492 176395103 /nfs/dbraw/zinc/39/51/03/176395103.db2.gz KUCBWCMEAFQVRD-DOMZBBRYSA-N 0 3 296.374 1.635 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3ccccn3)C[C@H]21 ZINC000072397492 176395104 /nfs/dbraw/zinc/39/51/04/176395104.db2.gz KUCBWCMEAFQVRD-DOMZBBRYSA-N 0 3 296.374 1.635 40 0 CDABHN CC(=O)N1C[C@@H]2CN(C3CCCCC3)CCN2C(C)(C)C1 ZINC000253395065 277018529 /nfs/dbraw/zinc/01/85/29/277018529.db2.gz BOOWNGHGIAIWIE-INIZCTEOSA-N 0 3 293.455 1.946 40 0 biogenic,in-vitro CDABHN CN1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1cnccn1 ZINC000257298299 277070879 /nfs/dbraw/zinc/07/08/79/277070879.db2.gz RLCJWOJRYUDQRJ-HIFRSBDPSA-N 0 3 274.368 1.566 40 0 CDABHN Cc1cc(C(=O)Nc2ccc3c(c2)CNCC3)on1 ZINC000069052546 280369051 /nfs/dbraw/zinc/36/90/51/280369051.db2.gz DZDAYWXNNRMCQT-UHFFFAOYSA-N 0 3 257.293 1.881 40 0 CDABHN O=C(N1CCCC1)N1CCC[C@@H](NCC2(F)CC2)C1 ZINC000556843376 290308895 /nfs/dbraw/zinc/30/88/95/290308895.db2.gz NGBYOGZUAVRFFI-GFCCVEGCSA-N 0 3 269.364 1.758 40 0 CDABHN CC(C)c1ccccc1N1CC[C@H](CN)S1(=O)=O ZINC000260786318 328069105 /nfs/dbraw/zinc/06/91/05/328069105.db2.gz WEAWXQBJHHQPNN-LLVKDONJSA-N 0 3 268.382 1.677 40 0 CDABHN COCc1nnc(C2CCN([C@H]3CCCC[C@@H]3O)CC2)o1 ZINC000257339944 327137090 /nfs/dbraw/zinc/13/70/90/327137090.db2.gz ZDWHVYTUMSLWRW-STQMWFEESA-N 0 3 295.383 1.699 40 0 CDABHN CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096038692 185069486 /nfs/dbraw/zinc/06/94/86/185069486.db2.gz YQQXVCAUGVHNHU-GDBMZVCRSA-N 0 3 289.379 1.151 40 0 CDABHN CO[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096048136 185073494 /nfs/dbraw/zinc/07/34/94/185073494.db2.gz QIRKUWDNJMTHCZ-CQSZACIVSA-N 0 3 262.353 1.852 40 0 CDABHN C[C@H]1NC(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062190 185082293 /nfs/dbraw/zinc/08/22/93/185082293.db2.gz ZSHXJBDHKCQALK-LLVKDONJSA-N 0 3 280.393 1.618 40 0 CDABHN COc1cc(N2CC[C@@]3(CCN3CC3CC3)C2)ncn1 ZINC000096075986 185089795 /nfs/dbraw/zinc/08/97/95/185089795.db2.gz LYXVBXPHKPJUDK-OAHLLOKOSA-N 0 3 274.368 1.550 40 0 CDABHN CN1CCN(CCCCOc2ccc(C=O)cc2)CC1 ZINC000090669217 180020524 /nfs/dbraw/zinc/02/05/24/180020524.db2.gz WFNABXNQTTUSHF-UHFFFAOYSA-N 0 3 276.380 1.906 40 0 CDABHN c1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)nc1 ZINC000107746664 186188723 /nfs/dbraw/zinc/18/87/23/186188723.db2.gz GIIGNWXDMJMFCV-SJORKVTESA-N 0 3 287.407 1.767 40 0 CDABHN C[C@@H](N)C(=O)N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000019079593 356474623 /nfs/dbraw/zinc/47/46/23/356474623.db2.gz KRKQHJGEKMMAOI-GFCCVEGCSA-N 0 3 290.363 1.304 40 0 CDABHN CN1CCN(CCCNC(=O)/C=C/c2ccccc2)CC1 ZINC000022935130 356625295 /nfs/dbraw/zinc/62/52/95/356625295.db2.gz GOMYALBCCWFILR-CMDGGOBGSA-N 0 3 287.407 1.454 40 0 CDABHN CC(C)N(Cc1ccc2c(c1)OCCO2)C(=O)CN ZINC000032113385 356832636 /nfs/dbraw/zinc/83/26/36/356832636.db2.gz QAGAFOSCEDXZEH-UHFFFAOYSA-N 0 3 264.325 1.154 40 0 CDABHN C[N@@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000072418843 356929881 /nfs/dbraw/zinc/92/98/81/356929881.db2.gz GGCABWKIPXYICX-UHFFFAOYSA-N 0 3 276.380 1.915 40 0 CDABHN C[N@H+](CC(=O)[O-])CC1CCN(Cc2ccccc2)CC1 ZINC000072418843 356929884 /nfs/dbraw/zinc/92/98/84/356929884.db2.gz GGCABWKIPXYICX-UHFFFAOYSA-N 0 3 276.380 1.915 40 0 CDABHN CN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CN ZINC000079404163 356989039 /nfs/dbraw/zinc/98/90/39/356989039.db2.gz KBZJWKHZJFYMLV-OAHLLOKOSA-N 0 3 275.396 1.458 40 0 CDABHN CN(C(=O)OCc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079410928 356993466 /nfs/dbraw/zinc/99/34/66/356993466.db2.gz LCNXOURDJOISIN-AWEZNQCLSA-N 0 3 278.352 1.322 40 0 CDABHN CC(=O)N(CC1CCN(C(=O)[C@@H](N)C(C)C)CC1)C1CC1 ZINC000079418120 356994819 /nfs/dbraw/zinc/99/48/19/356994819.db2.gz MCEKAGARKLCQDI-HNNXBMFYSA-N 0 3 295.427 1.219 40 0 CDABHN CC(C)[C@H](N)C(=O)N([C@@H](C)c1cnccn1)C1CC1 ZINC000079435838 356996109 /nfs/dbraw/zinc/99/61/09/356996109.db2.gz GBZLLEWBFWMHGJ-GWCFXTLKSA-N 0 3 262.357 1.512 40 0 CDABHN CN1c2ncccc2CN(CC2CC2)CC[C@H]1CO ZINC000225492996 283267579 /nfs/dbraw/zinc/26/75/79/283267579.db2.gz BSEVBQQMBOEMBB-AWEZNQCLSA-N 0 3 261.369 1.494 40 0 biogenic,in-vitro CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N[C@@H]3C)s1 ZINC000096201475 358718555 /nfs/dbraw/zinc/71/85/55/358718555.db2.gz NAPVLYCFTXXAJB-GFCCVEGCSA-N 0 3 294.420 1.926 40 0 CDABHN CCc1ccc(CN2CC[C@@H](CN)S2(=O)=O)cc1 ZINC000222538882 359351944 /nfs/dbraw/zinc/35/19/44/359351944.db2.gz ADYHZFSBVAKXDR-ZDUSSCGKSA-N 0 3 268.382 1.112 40 0 CDABHN CN[C@@H](CN)c1cc(Br)ccc1OC ZINC000050269944 373067217 /nfs/dbraw/zinc/06/72/17/373067217.db2.gz JELDZDUBCPGZNM-VIFPVBQESA-N 0 3 259.147 1.677 40 0 CDABHN CN1C[C@@H]2CN(C(=O)C(C)(C)C)CCN2C(C)(C)C1 ZINC000253395289 373683281 /nfs/dbraw/zinc/68/32/81/373683281.db2.gz BTIQNZSGAIHMSH-GFCCVEGCSA-N 0 3 267.417 1.269 40 0 biogenic,in-vitro CDABHN COC1CCN(CCNC(=O)Cc2cccc(O)c2)CC1 ZINC000080054386 373705055 /nfs/dbraw/zinc/70/50/55/373705055.db2.gz FLZFCQIULUPAHC-UHFFFAOYSA-N 0 3 292.379 1.162 40 0 CDABHN CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000080529636 374955123 /nfs/dbraw/zinc/95/51/23/374955123.db2.gz GONYOMOXGXABBV-STQMWFEESA-N 0 3 299.415 1.310 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@H](c2nc(C)cc(C)n2)C1 ZINC000257203041 190011703 /nfs/dbraw/zinc/01/17/03/190011703.db2.gz AOJVALVBFASSKZ-AWEZNQCLSA-N 0 3 287.367 1.698 40 0 CDABHN CC(C)C(=O)N1CC[C@H](c2ncc(CN(C)C)[nH]2)C1 ZINC000257226657 190015374 /nfs/dbraw/zinc/01/53/74/190015374.db2.gz FLPDNWJPBVHKBS-NSHDSACASA-N 0 3 264.373 1.443 40 0 CDABHN COC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249817 375810174 /nfs/dbraw/zinc/81/01/74/375810174.db2.gz LHCVXGXKSRWKQN-HZSPNIEDSA-N 0 3 283.393 1.097 40 0 CDABHN CN(C)c1ncc(CN2CCNC[C@@H]2c2ccccc2)cn1 ZINC000257285265 190027196 /nfs/dbraw/zinc/02/71/96/190027196.db2.gz PGINAUOGNGNXHE-MRXNPFEDSA-N 0 3 297.406 1.689 40 0 CDABHN CCc1ccc([C@H]2[C@H](S(C)(=O)=O)[C@@]2(CN)COC)cc1 ZINC000218451823 375838772 /nfs/dbraw/zinc/83/87/72/375838772.db2.gz FOVIHOKEFKTLNW-KKUMJFAQSA-N 0 3 297.420 1.351 40 0 CDABHN CCS(=O)(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000096245390 256832352 /nfs/dbraw/zinc/83/23/52/256832352.db2.gz DYIFVZMJMVTUJL-GASCZTMLSA-N 0 3 294.420 1.400 40 0 CDABHN Cc1cc([C@H](O)c2ccccc2)cnc1N1CCNCC1 ZINC000072222537 390623026 /nfs/dbraw/zinc/62/30/26/390623026.db2.gz LSBMCQMJSRTNHP-MRXNPFEDSA-N 0 3 283.375 1.881 40 0 CDABHN CNc1ncc(CNCCc2ccccc2F)cn1 ZINC000062717456 392803886 /nfs/dbraw/zinc/80/38/86/392803886.db2.gz KIPQYZKNCWSOPO-UHFFFAOYSA-N 0 3 260.316 1.990 40 0 CDABHN COC(CN1CCC[C@H]1c1cnn(C)c1C)OC ZINC000162171638 292079084 /nfs/dbraw/zinc/07/90/84/292079084.db2.gz WTOVRXXFIRGPHY-LBPRGKRZSA-N 0 3 253.346 1.484 40 0 CDABHN COC(=O)[C@@H](C)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622885 172304486 /nfs/dbraw/zinc/30/44/86/172304486.db2.gz QHQABJVSGUGKSW-QWRGUYRKSA-N 0 3 286.372 1.395 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)COc1ccccc1 ZINC000039975617 174180116 /nfs/dbraw/zinc/18/01/16/174180116.db2.gz JJRIQODIVOXHFY-ZDUSSCGKSA-N 0 3 262.353 1.666 40 0 CDABHN OCc1cc(CC2(NCC3CCCCC3)COC2)no1 ZINC000072321932 176369334 /nfs/dbraw/zinc/36/93/34/176369334.db2.gz XYEWVGFMWUYCTP-UHFFFAOYSA-N 0 3 280.368 1.648 40 0 biogenic,in-vitro CDABHN CC(=O)N1CCNC[C@@H](Cc2cnc3[nH]ccc3c2)C1 ZINC000072344406 176373306 /nfs/dbraw/zinc/37/33/06/176373306.db2.gz UICBGBHXLLBNPW-CYBMUJFWSA-N 0 3 272.352 1.173 40 0 CDABHN O=C1O[C@@]2(CN1c1cccc(Cl)c1)CNCCOC2 ZINC000257205248 275027205 /nfs/dbraw/zinc/02/72/05/275027205.db2.gz AYEUNUYAHVGCQL-CYBMUJFWSA-N 0 3 282.727 1.655 40 0 CDABHN CC(=O)N(C[C@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)C(C)C ZINC000079418011 275758182 /nfs/dbraw/zinc/75/81/82/275758182.db2.gz DWQFQTUMDQLXBQ-ZIAGYGMSSA-N 0 3 297.443 1.608 40 0 CDABHN CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C)C3)C1 ZINC000019498763 276202301 /nfs/dbraw/zinc/20/23/01/276202301.db2.gz RRSLORZVGJFWST-GFCCVEGCSA-N 0 3 288.395 1.581 40 0 CDABHN CCNc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717547 327914879 /nfs/dbraw/zinc/91/48/79/327914879.db2.gz YHDSOXZHKCHIJM-AWEZNQCLSA-N 0 3 272.352 1.732 40 0 CDABHN Cc1cc(Cl)ccc1N1CC[C@H](CN)S1(=O)=O ZINC000260775243 328068942 /nfs/dbraw/zinc/06/89/42/328068942.db2.gz PVKIJAARFWIPEU-SNVBAGLBSA-N 0 3 274.773 1.516 40 0 CDABHN c1c[nH]c(C2CCN(Cc3cnc4n3CCC4)CC2)n1 ZINC000667564393 483333777 /nfs/dbraw/zinc/33/37/77/483333777.db2.gz KHISSBPFOZKLOW-UHFFFAOYSA-N 0 3 271.368 1.932 40 0 CDABHN COC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 ZINC000074713394 567903717 /nfs/dbraw/zinc/90/37/17/567903717.db2.gz XKHAOFCZMSJSSH-UHFFFAOYSA-N 0 3 276.336 1.754 40 0 CDABHN CCOc1cc([C@H](N)c2n[nH]c(C)n2)ccc1OC ZINC000095534354 185006395 /nfs/dbraw/zinc/00/63/95/185006395.db2.gz LTPVBNGDSAOBDP-LBPRGKRZSA-N 0 3 262.313 1.569 40 0 CDABHN O=C(c1ccoc1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053810 185075394 /nfs/dbraw/zinc/07/53/94/185075394.db2.gz BVBUTKPZTQQPTJ-GASCZTMLSA-N 0 3 297.358 1.879 40 0 CDABHN O[C@]1(COc2ccc(F)cc2)COCCN(C2CCC2)C1 ZINC000585284069 342258515 /nfs/dbraw/zinc/25/85/15/342258515.db2.gz UQASGQMKJPAYPA-INIZCTEOSA-N 0 3 295.354 1.820 40 0 CDABHN CN(C)C/C=C/C(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 ZINC000585290471 342258806 /nfs/dbraw/zinc/25/88/06/342258806.db2.gz WOEZFSBDZDSACL-KOHVRMMGSA-N 0 3 266.385 1.256 40 0 CDABHN CCC(CC)C(=O)NC[C@@H](O)CN1CCC(C)CC1 ZINC000081780299 362214137 /nfs/dbraw/zinc/21/41/37/362214137.db2.gz LAFRPPRFSCSVEX-CQSZACIVSA-N 0 3 270.417 1.632 40 0 CDABHN Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C)C2)n1 ZINC000257321500 362585664 /nfs/dbraw/zinc/58/56/64/362585664.db2.gz WBXXKIJWURYMFE-LLVKDONJSA-N 0 3 257.341 1.984 40 0 CDABHN OC[C@@H]1C[C@@H](NCc2ccc(F)cc2F)C[C@H]1O ZINC000085468333 179073434 /nfs/dbraw/zinc/07/34/34/179073434.db2.gz OLNZAZVQTPDZEU-UFGOTCBOSA-N 0 3 257.280 1.186 40 0 CDABHN O=C(CN1CCCCCC1)NC[C@@H]1Cc2ccccc2O1 ZINC000051092896 365818451 /nfs/dbraw/zinc/81/84/51/365818451.db2.gz VWSUNIKXPKBJKQ-HNNXBMFYSA-N 0 3 288.391 1.982 40 0 CDABHN C[C@@H](N)C(=O)N(C)CCCOc1ccc(Cl)cc1 ZINC000154776802 188161273 /nfs/dbraw/zinc/16/12/73/188161273.db2.gz IJSZBVZYBLGYGY-SNVBAGLBSA-N 0 3 270.760 1.915 40 0 CDABHN CSCC[C@H](N)C(=O)N1CCc2cc(F)ccc2C1 ZINC000158163203 188361077 /nfs/dbraw/zinc/36/10/77/188361077.db2.gz AIMZZDAVNUJFNB-ZDUSSCGKSA-N 0 3 282.384 1.791 40 0 CDABHN CCOC(=O)[C@@H]1[C@@H](N(C)C)C(C)(C)[C@H]1C(=O)OCC ZINC000005340733 356052670 /nfs/dbraw/zinc/05/26/70/356052670.db2.gz WZCOQWVIQBLQKQ-HBNTYKKESA-N 0 3 271.357 1.315 40 0 CDABHN C[C@H](N)C(=O)N1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079409562 356992628 /nfs/dbraw/zinc/99/26/28/356992628.db2.gz BLOADHCXNPSCBN-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccnc(Br)c1)C1CC1 ZINC000079421634 356996463 /nfs/dbraw/zinc/99/64/63/356996463.db2.gz BQXZLGJYPCAVTK-QMMMGPOBSA-N 0 3 298.184 1.682 40 0 CDABHN COc1ccc(CC(=O)NC2CCN(C)CC2)cc1OC ZINC000061030970 357448258 /nfs/dbraw/zinc/44/82/58/357448258.db2.gz XKYQJTAESZOCFL-UHFFFAOYSA-N 0 3 292.379 1.457 40 0 CDABHN CCNc1ncc(CNCCCOc2ccccn2)cn1 ZINC000062717583 358771276 /nfs/dbraw/zinc/77/12/76/358771276.db2.gz RGFSCLMMFFCRJD-UHFFFAOYSA-N 0 3 287.367 1.862 40 0 CDABHN COCCN1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186442 358713735 /nfs/dbraw/zinc/71/37/35/358713735.db2.gz QZYBFGBMIHJTMQ-GJZGRUSLSA-N 0 3 274.364 1.903 40 0 CDABHN CN(C)CCNC(=O)CCn1ncc2ccccc21 ZINC000040768967 260519330 /nfs/dbraw/zinc/51/93/30/260519330.db2.gz NEILRAWJQONZEA-UHFFFAOYSA-N 0 3 260.341 1.104 40 0 CDABHN CN(C)CCNC(=O)COc1ccc2c(c1)CCCC2 ZINC000132497558 361241130 /nfs/dbraw/zinc/24/11/30/361241130.db2.gz WLFGKBDYYPAYFD-UHFFFAOYSA-N 0 3 276.380 1.622 40 0 CDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)COC ZINC000218417388 367922445 /nfs/dbraw/zinc/92/24/45/367922445.db2.gz JYQUWIOREHRYDE-QLFBSQMISA-N 0 3 297.420 1.487 40 0 CDABHN CC[C@H](COc1ccccc1)NC(=O)[C@@]1(F)CCNC1 ZINC000225488684 374495717 /nfs/dbraw/zinc/49/57/17/374495717.db2.gz BBEAKQNQUZYKKV-IUODEOHRSA-N 0 3 280.343 1.662 40 0 CDABHN CN(C)CCNC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 ZINC000226749309 375394725 /nfs/dbraw/zinc/39/47/25/375394725.db2.gz UGIDEIYLDPVASO-HNNXBMFYSA-N 0 3 293.342 1.387 40 0 CDABHN Cc1cc(-c2cncn2C)nc([C@@H]2CCCN(C)C2)n1 ZINC000257214307 190012837 /nfs/dbraw/zinc/01/28/37/190012837.db2.gz CLNAYNFAYVBNDI-GFCCVEGCSA-N 0 3 271.368 1.995 40 0 CDABHN O=C(CN1CCNC[C@H]1c1ccccc1)N1CCCC1 ZINC000257213469 190013231 /nfs/dbraw/zinc/01/32/31/190013231.db2.gz CHSCYKQVYPJYTO-HNNXBMFYSA-N 0 3 273.380 1.255 40 0 CDABHN COc1cccc(C[C@H]2CC[C@@H]3CN(CC(N)=O)C[C@H]23)c1 ZINC000257262146 190022290 /nfs/dbraw/zinc/02/22/90/190022290.db2.gz LKHDDFZLFSFQPY-IIAWOOMASA-N 0 3 288.391 1.681 40 0 CDABHN CN(C)C(=O)[C@@]1(C)CCCN(Cc2ccncc2)C1 ZINC000257282328 190026321 /nfs/dbraw/zinc/02/63/21/190026321.db2.gz OTHZRAJMPNWNLI-HNNXBMFYSA-N 0 3 261.369 1.772 40 0 CDABHN O=C(c1ccc(F)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257285727 190026884 /nfs/dbraw/zinc/02/68/84/190026884.db2.gz PIMURSCRKKFRKX-ZIAGYGMSSA-N 0 3 278.327 1.107 40 0 CDABHN CN(C)CCNC(=O)c1ccc(-c2cncs2)nc1 ZINC000257275674 190024800 /nfs/dbraw/zinc/02/48/00/190024800.db2.gz NQKCIGOKRCFWQQ-UHFFFAOYSA-N 0 3 276.365 1.497 40 0 CDABHN CN1CCCN(Cc2ccnc([C@@]3(C)CCCO3)n2)CC1 ZINC000257319284 190033243 /nfs/dbraw/zinc/03/32/43/190033243.db2.gz VRSRGKHNLBSTAU-MRXNPFEDSA-N 0 3 290.411 1.640 40 0 CDABHN CC(C)CNC1(Cc2cc(CN(C)C)on2)COC1 ZINC000067897801 377285812 /nfs/dbraw/zinc/28/58/12/377285812.db2.gz XBASEFVFRBITOS-UHFFFAOYSA-N 0 3 267.373 1.293 40 0 biogenic,in-vitro CDABHN CC(C)c1nc2c(c(=O)[n-]1)CC[N@H+](C[C@@H]1CCOC1)CC2 ZINC000019453737 390228206 /nfs/dbraw/zinc/22/82/06/390228206.db2.gz WNWMXYAQXOHEMV-LBPRGKRZSA-N 0 3 291.395 1.330 40 0 CDABHN CC(C)c1nc2c(c(=O)[n-]1)CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000019453737 390228210 /nfs/dbraw/zinc/22/82/10/390228210.db2.gz WNWMXYAQXOHEMV-LBPRGKRZSA-N 0 3 291.395 1.330 40 0 CDABHN CN1CCN(c2ncccc2[C@H]2CCCCN2C)CC1 ZINC000072216597 390622179 /nfs/dbraw/zinc/62/21/79/390622179.db2.gz DRDZMYRORBTDAE-OAHLLOKOSA-N 0 3 274.412 1.990 40 0 CDABHN COCCNCc1cc(-c2cccs2)nn1C ZINC000072226270 390625737 /nfs/dbraw/zinc/62/57/37/390625737.db2.gz XTXFRGCYUPEZBP-UHFFFAOYSA-N 0 3 251.355 1.885 40 0 CDABHN COC(=O)c1ccc(C)c(NC(=S)NCCN(C)C)c1 ZINC000007560773 170291040 /nfs/dbraw/zinc/29/10/40/170291040.db2.gz WWCNPFPIURXCMV-UHFFFAOYSA-N 0 3 295.408 1.630 40 0 CDABHN Cc1nccc(CN2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)n1 ZINC000072397391 176394376 /nfs/dbraw/zinc/39/43/76/176394376.db2.gz IGHIAKHQLAEJBX-KGLIPLIRSA-N 0 3 296.374 1.566 40 0 CDABHN C[C@H](N)C(=O)N(CC(=O)c1cccs1)C1CC1 ZINC000079436322 177490043 /nfs/dbraw/zinc/49/00/43/177490043.db2.gz ZAKZPZSXTLJXJF-QMMMGPOBSA-N 0 3 252.339 1.269 40 0 CDABHN O=C1[C@H]2Cc3ccccc3CN2C(=O)N1CCN1CCCC1 ZINC000001630686 280328744 /nfs/dbraw/zinc/32/87/44/280328744.db2.gz FDAIKWTXWRINOB-OAHLLOKOSA-N 0 3 299.374 1.471 40 0 CDABHN CN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257338104 290279291 /nfs/dbraw/zinc/27/92/91/290279291.db2.gz YVVRQHDHAIDNFJ-SWLSCSKDSA-N 0 3 262.328 1.894 40 0 CDABHN CC(C)c1ccc(CN2CC[C@H](CN)S2(=O)=O)cc1 ZINC000260762773 328066886 /nfs/dbraw/zinc/06/68/86/328066886.db2.gz HKHZAULQLYMLSW-CQSZACIVSA-N 0 3 282.409 1.673 40 0 CDABHN CN1CCC2(CCN2C(=O)c2cncs2)CC1 ZINC000748323953 576905688 /nfs/dbraw/zinc/90/56/88/576905688.db2.gz JOOOJQIXVFZDBS-UHFFFAOYSA-N 0 3 251.355 1.453 40 0 CDABHN NCC1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001560409986 970057123 /nfs/dbraw/zinc/05/71/23/970057123.db2.gz AQTXCGPSCIDAJE-UHFFFAOYSA-N 0 3 294.306 1.110 40 0 CDABHN Cc1ncsc1CN1C[C@@H](N(C)C)[C@H]2OCCC[C@H]2C1 ZINC000096040585 185069161 /nfs/dbraw/zinc/06/91/61/185069161.db2.gz XWWIRRKUOMPHGH-GUTXKFCHSA-N 0 3 295.452 1.993 40 0 CDABHN O=C1CC[C@]2(CCCN(Cc3ccccn3)CC2)N1 ZINC000096047457 185073420 /nfs/dbraw/zinc/07/34/20/185073420.db2.gz HBYWYXQQDJTYRG-HNNXBMFYSA-N 0 3 259.353 1.716 40 0 CDABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1 ZINC000096061118 185082896 /nfs/dbraw/zinc/08/28/96/185082896.db2.gz YVBLBGWJJRGRRM-AWEZNQCLSA-N 0 3 292.379 1.881 40 0 CDABHN Cc1nocc1C(=O)N1CCC2(C[C@@H](N(C)C)CO2)CC1 ZINC000096074121 185087752 /nfs/dbraw/zinc/08/77/52/185087752.db2.gz QMRIXNXKSMBLBD-GFCCVEGCSA-N 0 3 293.367 1.308 40 0 CDABHN Cn1ccnc1CN1CC[C@@]2(CCN2CC2CC2)C1 ZINC000096075980 185090247 /nfs/dbraw/zinc/09/02/47/185090247.db2.gz FEUCKHMQSMPEEL-OAHLLOKOSA-N 0 3 260.385 1.480 40 0 CDABHN CO[C@]1(CCC(N)=O)CCCN(Cc2ccncc2C)C1 ZINC000585277323 342256457 /nfs/dbraw/zinc/25/64/57/342256457.db2.gz UMZJZIKSZKXKSZ-INIZCTEOSA-N 0 3 291.395 1.637 40 0 CDABHN O=C(N[C@@H]1CCC[C@H](CO)C1)C1CN(C2CCCCC2)C1 ZINC000334057345 363408036 /nfs/dbraw/zinc/40/80/36/363408036.db2.gz WCSLOMZNMSSVTP-DZGCQCFKSA-N 0 3 294.439 1.918 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(F)c1 ZINC000004497863 356032712 /nfs/dbraw/zinc/03/27/12/356032712.db2.gz OFUNOGPCVYCCBD-ZDUSSCGKSA-N 0 3 293.342 1.365 40 0 CDABHN COC(=O)c1ccccc1[C@H](N)CNC(=O)OC(C)(C)C ZINC000019796157 356505481 /nfs/dbraw/zinc/50/54/81/356505481.db2.gz YYWZIYAHKREOHX-GFCCVEGCSA-N 0 3 294.351 1.998 40 0 CDABHN CN(C)CCNC(=O)Cc1cccc(Br)c1 ZINC000194764118 358391635 /nfs/dbraw/zinc/39/16/35/358391635.db2.gz OLKNUSCLCCHBIK-UHFFFAOYSA-N 0 3 285.185 1.669 40 0 CDABHN c1cc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)ccn1 ZINC000096183281 358713245 /nfs/dbraw/zinc/71/32/45/358713245.db2.gz DABADBDWDFLXAT-DLBZAZTESA-N 0 3 287.407 1.767 40 0 CDABHN CCc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)o1 ZINC000096199311 358717368 /nfs/dbraw/zinc/71/73/68/358717368.db2.gz KXKUWKNXLOMRRQ-GFCCVEGCSA-N 0 3 290.367 1.678 40 0 CDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccncc1)CC2 ZINC000096207839 358720554 /nfs/dbraw/zinc/72/05/54/358720554.db2.gz AUJHLTDADBCPMP-AWEZNQCLSA-N 0 3 289.379 1.056 40 0 CDABHN O=C(c1cscn1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC000096268937 358731216 /nfs/dbraw/zinc/73/12/16/358731216.db2.gz HMYWSFZEUMASBF-QWHCGFSZSA-N 0 3 285.372 1.855 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2ccnc(C)n2)cc1 ZINC000257256939 190021783 /nfs/dbraw/zinc/02/17/83/190021783.db2.gz KNLVFDWVNUQVCC-KRWDZBQOSA-N 0 3 298.390 1.940 40 0 CDABHN COCCN(C)C(=O)c1ccccc1-n1cc(CN)cn1 ZINC000257286799 190027222 /nfs/dbraw/zinc/02/72/22/190027222.db2.gz PNBRHTVCGCPMFS-UHFFFAOYSA-N 0 3 288.351 1.049 40 0 CDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)CO)cc1 ZINC000218438646 375836021 /nfs/dbraw/zinc/83/60/21/375836021.db2.gz OWGHEIDQVFILHI-ILXRZTDVSA-N 0 3 297.420 1.087 40 0 CDABHN CCN1CCC2(CC1)C[C@H]1C[C@H]3C=C[C@]1(CN2C(C)=O)O3 ZINC000003894369 285192530 /nfs/dbraw/zinc/19/25/30/285192530.db2.gz ILVPOFGJZSFGPB-BFYDXBDKSA-N 0 3 290.407 1.807 40 0 CDABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4cccnc4)C[C@@H]32)C(=O)N1C ZINC000096261400 256838025 /nfs/dbraw/zinc/83/80/25/256838025.db2.gz UWQBWIHZCPJOHE-HLLBOEOZSA-N 0 3 298.390 1.553 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C)C1 ZINC000079407736 390421155 /nfs/dbraw/zinc/42/11/55/390421155.db2.gz HSYLAXVJVBRMEE-OLZOCXBDSA-N 0 3 253.390 1.055 40 0 CDABHN Cc1cc([C@H]2CCCN2C)cnc1N1CCOCC1 ZINC000072219326 390623140 /nfs/dbraw/zinc/62/31/40/390623140.db2.gz ZFVUBUVXLUXHGD-CQSZACIVSA-N 0 3 261.369 1.993 40 0 CDABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1[C@@H](C)O ZINC000072224750 390625122 /nfs/dbraw/zinc/62/51/22/390625122.db2.gz PTXDVBJMZHVSKF-CYBMUJFWSA-N 0 3 263.385 1.974 40 0 CDABHN CC(C)N1CCOC[C@]2(CN(Cc3ccco3)CCO2)C1 ZINC000096049713 390912251 /nfs/dbraw/zinc/91/22/51/390912251.db2.gz HUIZJLSBUPQGIS-INIZCTEOSA-N 0 3 294.395 1.591 40 0 CDABHN CC(C)N1CCC[C@@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201629 391648418 /nfs/dbraw/zinc/64/84/18/391648418.db2.gz AIJJMDDWDAXBPX-GFCCVEGCSA-N 0 3 276.340 1.979 40 0 CDABHN COc1ccc(NC(=S)NCCN(C)C)c(OC)c1 ZINC000006948523 170258504 /nfs/dbraw/zinc/25/85/04/170258504.db2.gz NVSIQKLCROSWFO-UHFFFAOYSA-N 0 3 283.397 1.552 40 0 CDABHN CN(C)CCNC(=S)Nc1ccc2c(c1)OCO2 ZINC000007521834 170288355 /nfs/dbraw/zinc/28/83/55/170288355.db2.gz QTTDIFJELPQPPU-UHFFFAOYSA-N 0 3 267.354 1.263 40 0 CDABHN COc1cccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022163613 171364457 /nfs/dbraw/zinc/36/44/57/171364457.db2.gz NIWVOHGOFAIGBA-TYNCELHUSA-N 0 3 264.369 1.804 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000022173810 171369297 /nfs/dbraw/zinc/36/92/97/171369297.db2.gz SVLWYWYUBOCXDQ-SCRDCRAPSA-N 0 3 294.395 1.813 40 0 CDABHN Cc1cc(C)cc(OCC(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000028227089 171551992 /nfs/dbraw/zinc/55/19/92/171551992.db2.gz LMXPPPBKNMJCBB-HNNXBMFYSA-N 0 3 288.391 1.989 40 0 CDABHN C[C@H](NCCN(C)C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000230024211 289956858 /nfs/dbraw/zinc/95/68/58/289956858.db2.gz YKTYQTJPTLNLGO-UPJWGTAASA-N 0 3 255.406 1.031 40 0 CDABHN CC(C)(C)n1nccc1NC(=O)[C@@H]1CCCCN1 ZINC000225814251 333182838 /nfs/dbraw/zinc/18/28/38/333182838.db2.gz HPHBQZMYTWVHKI-JTQLQIEISA-N 0 3 250.346 1.719 40 0 CDABHN CO[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096048137 185073262 /nfs/dbraw/zinc/07/32/62/185073262.db2.gz QIRKUWDNJMTHCZ-AWEZNQCLSA-N 0 3 262.353 1.852 40 0 CDABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096053751 185074487 /nfs/dbraw/zinc/07/44/87/185074487.db2.gz LPBJEIWKQSERJG-HUUCEWRRSA-N 0 3 297.358 1.879 40 0 CDABHN O=C(N1CCCC1)N1CCN2C[C@@H](OCC3CC3)C[C@@H]2C1 ZINC000096055006 185075427 /nfs/dbraw/zinc/07/54/27/185075427.db2.gz PAURGSWULQWVEN-CABCVRRESA-N 0 3 293.411 1.387 40 0 CDABHN CCOc1ncnc2c1CCN(Cc1cccnc1)CC2 ZINC000096058762 185079503 /nfs/dbraw/zinc/07/95/03/185079503.db2.gz ADIDHRMONYQEOG-UHFFFAOYSA-N 0 3 284.363 1.871 40 0 CDABHN CN1CCO[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096107932 185100214 /nfs/dbraw/zinc/10/02/14/185100214.db2.gz SLVQRFWGDVWOOP-DZGCQCFKSA-N 0 3 264.344 1.588 40 0 CDABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2CC1CC1 ZINC000096110728 185100563 /nfs/dbraw/zinc/10/05/63/185100563.db2.gz PVMLHMKMJKLYDX-OLZOCXBDSA-N 0 3 277.393 1.842 40 0 CDABHN Cc1nocc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000585108117 342213313 /nfs/dbraw/zinc/21/33/13/342213313.db2.gz NOHPDZLECMFDAN-UONOGXRCSA-N 0 3 275.352 1.682 40 0 CDABHN CN1CCOCC2(CCN(C(=O)C3CC(F)C3)CC2)C1 ZINC000585102417 342212646 /nfs/dbraw/zinc/21/26/46/342212646.db2.gz BMHRWZIZSCIQCT-UHFFFAOYSA-N 0 3 284.375 1.305 40 0 CDABHN Cc1csc(C(=O)N2CC[C@@](O)(CN(C)C)C2)c1 ZINC000205682569 348744135 /nfs/dbraw/zinc/74/41/35/348744135.db2.gz MCGIQYSFRYIHCZ-CYBMUJFWSA-N 0 3 268.382 1.195 40 0 CDABHN COc1ccc(Cc2nsc(N3CCNCC3)n2)cc1 ZINC000035350812 348746006 /nfs/dbraw/zinc/74/60/06/348746006.db2.gz CCVDPMLMJBYDDG-UHFFFAOYSA-N 0 3 290.392 1.547 40 0 CDABHN Cc1cccc(CN2CC[C@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235808 186163142 /nfs/dbraw/zinc/16/31/42/186163142.db2.gz SYWZZOGEMGYICF-HOCLYGCPSA-N 0 3 273.380 1.690 40 0 CDABHN CN1CCO[C@@H]2CN(C(=O)C3=CCCCC3)C[C@@H]2C1 ZINC000096107944 283001247 /nfs/dbraw/zinc/00/12/47/283001247.db2.gz DMACNWJAKYWAAI-UONOGXRCSA-N 0 3 264.369 1.276 40 0 CDABHN CC(C)N(CCO)C[C@H]1COc2ccccc2O1 ZINC000050103763 355888343 /nfs/dbraw/zinc/88/83/43/355888343.db2.gz PZFNQHKQDFISBZ-LBPRGKRZSA-N 0 3 251.326 1.529 40 0 CDABHN CCN1CCCC[C@H]1CNC(=O)c1ccnc(OC)c1 ZINC000019527291 356490802 /nfs/dbraw/zinc/49/08/02/356490802.db2.gz NKBHLVZZWOPGSW-ZDUSSCGKSA-N 0 3 277.368 1.694 40 0 CDABHN C([C@H]1CCCCO1)N1CCN(C[C@@H]2CCCCO2)CC1 ZINC000023478551 356643991 /nfs/dbraw/zinc/64/39/91/356643991.db2.gz UNSLULGNELHPHQ-IYBDPMFKSA-N 0 3 282.428 1.742 40 0 CDABHN CC(C)N(C[C@H]1CCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408089 356992175 /nfs/dbraw/zinc/99/21/75/356992175.db2.gz LMZSTACSOOEMGX-ZDUSSCGKSA-N 0 3 286.416 1.946 40 0 CDABHN CN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1 ZINC000079410932 356994291 /nfs/dbraw/zinc/99/42/91/356994291.db2.gz WGRPIUODNVOVRW-HNNXBMFYSA-N 0 3 292.379 1.712 40 0 CDABHN Cc1ccnc(NC(=S)NC2CCN(C)CC2)c1 ZINC000063144900 357508294 /nfs/dbraw/zinc/50/82/94/357508294.db2.gz XAOUBEZVVZFITF-UHFFFAOYSA-N 0 3 264.398 1.771 40 0 CDABHN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1 ZINC000082334611 358160345 /nfs/dbraw/zinc/16/03/45/358160345.db2.gz RPFCXONKHBFPJG-LBPRGKRZSA-N 0 3 276.336 1.754 40 0 CDABHN COCCN1CC[C@]2(C1)CCCN(c1ncc(F)cn1)C2 ZINC000096158344 358710290 /nfs/dbraw/zinc/71/02/90/358710290.db2.gz NGHBZECWQYBRRX-HNNXBMFYSA-N 0 3 294.374 1.554 40 0 CDABHN CN1CC[C@@]2(C1)COCCN(C(=O)Cc1ccsc1)C2 ZINC000096201948 358719366 /nfs/dbraw/zinc/71/93/66/358719366.db2.gz PPTQNOFWAPWTIY-HNNXBMFYSA-N 0 3 294.420 1.471 40 0 CDABHN CCN1CCN(c2ccc(N)cc2NC(C)=O)CC1 ZINC000226258297 367362723 /nfs/dbraw/zinc/36/27/23/367362723.db2.gz VIUHSUYYLCKQJL-UHFFFAOYSA-N 0 3 262.357 1.369 40 0 CDABHN Cc1cc(Cl)ccc1CN1CC[C@H](C(N)=O)C1 ZINC000136136302 374172692 /nfs/dbraw/zinc/17/26/92/374172692.db2.gz IVLUNOPTXNRKMT-NSHDSACASA-N 0 3 252.745 1.956 40 0 CDABHN CN(C)C1(CN(C)C(=O)N[C@@H]2CCC[C@@H]2CCO)CCC1 ZINC000225472344 374482318 /nfs/dbraw/zinc/48/23/18/374482318.db2.gz OJVNVVPSHDWSBP-ZIAGYGMSSA-N 0 3 297.443 1.663 40 0 CDABHN CC(C)C[C@H](N)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000225474607 374482963 /nfs/dbraw/zinc/48/29/63/374482963.db2.gz SQAKFDPPLYVQGA-NWDGAFQWSA-N 0 3 258.431 1.960 40 0 CDABHN COC(=O)[C@@H]1CN(C)C[C@@H]1c1ccc(OC)c(OC)c1 ZINC000217670647 375700888 /nfs/dbraw/zinc/70/08/88/375700888.db2.gz VLUQFGBQDHELRD-VXGBXAGGSA-N 0 3 279.336 1.522 40 0 CDABHN CCOC[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013687 375777765 /nfs/dbraw/zinc/77/77/65/375777765.db2.gz HUWQZPKWFVVEMZ-MELADBBJSA-N 0 3 283.393 1.179 40 0 CDABHN COc1ccc([C@@H]2CNCCN2Cc2ccn(C)n2)cc1 ZINC000257306385 190031053 /nfs/dbraw/zinc/03/10/53/190031053.db2.gz SUCNUSOQNZIYFZ-INIZCTEOSA-N 0 3 286.379 1.575 40 0 CDABHN O=C(/C=C/c1ccccc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257341696 190037089 /nfs/dbraw/zinc/03/70/89/190037089.db2.gz ZLLQDYYJXBAOSR-GUFYHEMZSA-N 0 3 286.375 1.367 40 0 CDABHN CCN(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409681 285083554 /nfs/dbraw/zinc/08/35/54/285083554.db2.gz ZSJLVLHBECTLJQ-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN CCN1c2ccc(F)cc2C(=O)N[C@]12CCCNC2 ZINC000096516607 285472499 /nfs/dbraw/zinc/47/24/99/285472499.db2.gz VWOMRGYRLLQQER-CQSZACIVSA-N 0 3 263.316 1.475 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccccc2)[C@]1(CN)COC ZINC000252514492 392796943 /nfs/dbraw/zinc/79/69/43/392796943.db2.gz CPXWCVFFZLXJNZ-MCIONIFRSA-N 0 3 283.393 1.179 40 0 CDABHN CCNc1ncc(CNCCN(CC)CC)cn1 ZINC000062718417 392804422 /nfs/dbraw/zinc/80/44/22/392804422.db2.gz GICVUPVZDAVPRH-UHFFFAOYSA-N 0 3 251.378 1.340 40 0 CDABHN CC(C)N1CCC[C@@H](c2ccnc3c(C(N)=O)cnn32)C1 ZINC000257284706 397607301 /nfs/dbraw/zinc/60/73/01/397607301.db2.gz PDXGTZIYWXDRBS-LLVKDONJSA-N 0 3 287.367 1.416 40 0 CDABHN CCCCOCCN(CCO)CCOCCCC ZINC000005420188 170097147 /nfs/dbraw/zinc/09/71/47/170097147.db2.gz YJRZKHKOFIJIKK-UHFFFAOYSA-N 0 3 261.406 1.914 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022163623 171364879 /nfs/dbraw/zinc/36/48/79/171364879.db2.gz NIWVOHGOFAIGBA-HUBLWGQQSA-N 0 3 264.369 1.804 40 0 CDABHN Cc1ccc(CN(C)C[C@@]2(O)CCCN(C)C2)o1 ZINC000046087367 175391869 /nfs/dbraw/zinc/39/18/69/175391869.db2.gz CXHZLDMQJPLJRK-CQSZACIVSA-N 0 3 252.358 1.477 40 0 CDABHN Brc1ccccc1OC[C@@H]1CNCCO1 ZINC000070834104 176007967 /nfs/dbraw/zinc/00/79/67/176007967.db2.gz MLGKZTMZXSWHGS-VIFPVBQESA-N 0 3 272.142 1.816 40 0 CDABHN Cc1nc(NC[C@@H]2CCCO2)nc2c1CN(C)CC2 ZINC000072415032 176399231 /nfs/dbraw/zinc/39/92/31/176399231.db2.gz ZQQLVEOONZGEMR-NSHDSACASA-N 0 3 262.357 1.364 40 0 CDABHN COc1ccccc1CN(C(=O)[C@H](C)N)C(C)C ZINC000079420941 177487921 /nfs/dbraw/zinc/48/79/21/177487921.db2.gz YHUITOGCSIAVEA-NSHDSACASA-N 0 3 250.342 1.779 40 0 CDABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC000257344983 274703171 /nfs/dbraw/zinc/70/31/71/274703171.db2.gz ZZLLISLLKKNPNO-CYBMUJFWSA-N 0 3 288.307 1.174 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccs2)N1 ZINC000022238433 279618757 /nfs/dbraw/zinc/61/87/57/279618757.db2.gz LRDQGPVDAFDJEJ-NSHDSACASA-N 0 3 297.343 1.745 40 0 CDABHN COc1ccc([C@@H]2CN(C)C[C@H]2CO)cc1OC ZINC000242718285 482431709 /nfs/dbraw/zinc/43/17/09/482431709.db2.gz XHXDOFSAVHGMOV-RYUDHWBXSA-N 0 3 251.326 1.341 40 0 CDABHN C[C@@H](SCc1ccccc1)C(=O)NCCN(C)C ZINC000010111504 534000557 /nfs/dbraw/zinc/00/05/57/534000557.db2.gz CMGYHKBXHSKRNA-GFCCVEGCSA-N 0 3 266.410 1.986 40 0 CDABHN COc1cc(N[C@@H](C)C[C@H]2COCCN2)cc(OC)c1 ZINC000133343558 756853434 /nfs/dbraw/zinc/85/34/34/756853434.db2.gz YDPUHAPWLCWAIY-AAEUAGOBSA-N 0 3 280.368 1.883 40 0 CDABHN Cn1cc2c(n1)[C@@H](CNCc1cccs1)OCC2 ZINC000096059673 185080076 /nfs/dbraw/zinc/08/00/76/185080076.db2.gz NZPNJYSBVAEFDC-GFCCVEGCSA-N 0 3 263.366 1.885 40 0 CDABHN CCn1cc2c(n1)[C@H](COC)CN(CC1CCOCC1)C2 ZINC000096059896 185081114 /nfs/dbraw/zinc/08/11/14/185081114.db2.gz BUBIHSRLPNNBIV-HNNXBMFYSA-N 0 3 293.411 1.875 40 0 CDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccsc2)cn1 ZINC000096061613 185082234 /nfs/dbraw/zinc/08/22/34/185082234.db2.gz RQMVIBNYNPUPCJ-UONOGXRCSA-N 0 3 277.393 1.660 40 0 CDABHN COc1cc(N2CC[C@]3(CCN3CC3CC3)C2)ncn1 ZINC000096075985 185089036 /nfs/dbraw/zinc/08/90/36/185089036.db2.gz LYXVBXPHKPJUDK-HNNXBMFYSA-N 0 3 274.368 1.550 40 0 CDABHN Cn1ccnc1-c1nccnc1C1CCN(CCO)CC1 ZINC000585178931 342232399 /nfs/dbraw/zinc/23/23/99/342232399.db2.gz VPTRBBVHMOLPBW-UHFFFAOYSA-N 0 3 287.367 1.049 40 0 CDABHN c1nnc(N2CC[C@@H]3[C@@H]2CCN3C[C@@H]2CCOC2)s1 ZINC000107200897 186162243 /nfs/dbraw/zinc/16/22/43/186162243.db2.gz DOPCMFRKOYCASB-TUAOUCFPSA-N 0 3 280.397 1.228 40 0 CDABHN CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108532695 186221600 /nfs/dbraw/zinc/22/16/00/186221600.db2.gz SACSIEUMWGEEAJ-ZBFHGGJFSA-N 0 3 290.411 1.467 40 0 CDABHN COC(=O)CCNCCSC(=O)c1ccccc1 ZINC000001871844 355953916 /nfs/dbraw/zinc/95/39/16/355953916.db2.gz ZZRAAZCUMJTEMK-UHFFFAOYSA-N 0 3 267.350 1.713 40 0 CDABHN CC(C)CC(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019446429 356485877 /nfs/dbraw/zinc/48/58/77/356485877.db2.gz NSZOXBXLHNSZKQ-AWEZNQCLSA-N 0 3 288.395 1.832 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391362 356988134 /nfs/dbraw/zinc/98/81/34/356988134.db2.gz PDMVFECTGGFCIN-MNOVXSKESA-N 0 3 285.388 1.095 40 0 CDABHN CC(C)(C)OC(=O)NC[C@@H]1CCCN(CCO)C1 ZINC000079407840 356991330 /nfs/dbraw/zinc/99/13/30/356991330.db2.gz BMVGUWHUYRVAJF-NSHDSACASA-N 0 3 258.362 1.215 40 0 CDABHN COC[C@H]1CN(CC2CC2)C2(CN(c3ncccn3)C2)C1 ZINC000585094009 358099961 /nfs/dbraw/zinc/09/99/61/358099961.db2.gz YWQWRUDXHVZSAD-CQSZACIVSA-N 0 3 288.395 1.414 40 0 CDABHN CN1CCOC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1 ZINC000096228721 358724180 /nfs/dbraw/zinc/72/41/80/358724180.db2.gz XNKMCPGOWJARBL-INIZCTEOSA-N 0 3 289.379 1.266 40 0 CDABHN CCN1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096253365 358727583 /nfs/dbraw/zinc/72/75/83/358727583.db2.gz FZLPDGULWQAWHH-FRRDWIJNSA-N 0 3 261.325 1.129 40 0 CDABHN C[C@H](N)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 ZINC000072220516 359053857 /nfs/dbraw/zinc/05/38/57/359053857.db2.gz DMXPQPZHTLIOOS-ZETCQYMHSA-N 0 3 280.715 1.353 40 0 CDABHN NC[C@@H]1CCN(c2ccccc2Cl)S1(=O)=O ZINC000222543116 359353217 /nfs/dbraw/zinc/35/32/17/359353217.db2.gz BBUMVTDQGLAOKD-QMMMGPOBSA-N 0 3 260.746 1.207 40 0 CDABHN CCN1CCN(c2cc(N)c(Cl)cc2N)CC1 ZINC000045891241 360034218 /nfs/dbraw/zinc/03/42/18/360034218.db2.gz YUVGNCHWAWJEEJ-UHFFFAOYSA-N 0 3 254.765 1.646 40 0 CDABHN CC(=O)N[C@@H](C)C1CCN(CCO[C@H]2CCCCO2)CC1 ZINC000225532391 361047058 /nfs/dbraw/zinc/04/70/58/361047058.db2.gz SMKHIKXPBQGXJM-BBRMVZONSA-N 0 3 298.427 1.766 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242728142 364571557 /nfs/dbraw/zinc/57/15/57/364571557.db2.gz YVAGOYXVYDMXGK-XYPYZODXSA-N 0 3 285.388 1.239 40 0 CDABHN CCCC1C(=O)NC(=O)c2ccc(Br)n21 ZINC000575410784 364762672 /nfs/dbraw/zinc/76/26/72/364762672.db2.gz HPTMRGBUINYLGT-LURJTMIESA-N 0 3 271.114 1.862 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](N(C)C(=O)OC(C)(C)C)CC1 ZINC000252517408 364783988 /nfs/dbraw/zinc/78/39/88/364783988.db2.gz HSYISULWWCUMBI-SRVKXCTJSA-N 0 3 299.415 1.628 40 0 CDABHN OC[C@@H](NCCO[C@@H]1CCCCO1)c1ccsc1 ZINC000225532201 375159877 /nfs/dbraw/zinc/15/98/77/375159877.db2.gz PMJUCVRJFXGTKZ-CHWSQXEVSA-N 0 3 271.382 1.914 40 0 CDABHN CN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 ZINC000257257811 190021821 /nfs/dbraw/zinc/02/18/21/190021821.db2.gz KREJMBIOBNODOG-UHFFFAOYSA-N 0 3 276.340 1.318 40 0 CDABHN O=C(c1cc(F)cc(F)c1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257309272 190030912 /nfs/dbraw/zinc/03/09/12/190030912.db2.gz UAHKIISNZDAAPE-ZIAGYGMSSA-N 0 3 296.317 1.246 40 0 CDABHN COCCN1CC[C@@]2(C1)CCCN(c1ncccn1)C2 ZINC000096216946 390913456 /nfs/dbraw/zinc/91/34/56/390913456.db2.gz UNWKOQNBHYOHEU-OAHLLOKOSA-N 0 3 276.384 1.415 40 0 CDABHN CC(C)CCN1C[C@H]2C[C@@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000248235985 391429520 /nfs/dbraw/zinc/42/95/20/391429520.db2.gz CDIQOOSQMSMVMP-RBSFLKMASA-N 0 3 280.412 1.791 40 0 CDABHN Cc1nc(CN2CCC[C@]3(CNCCO3)C2)cs1 ZINC000096226812 393010326 /nfs/dbraw/zinc/01/03/26/393010326.db2.gz INZIPKJJZCWIBU-ZDUSSCGKSA-N 0 3 267.398 1.406 40 0 CDABHN Cc1nc([C@@H]2CCCN(C(C)C)C2)ncc1C(N)=O ZINC000072351998 176374583 /nfs/dbraw/zinc/37/45/83/176374583.db2.gz ZSNHDLZLOJIRJO-LLVKDONJSA-N 0 3 262.357 1.472 40 0 CDABHN Nc1ccc(C[C@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072387286 176392542 /nfs/dbraw/zinc/39/25/42/176392542.db2.gz YETUVDRDWSAMNR-LLVKDONJSA-N 0 3 272.356 1.237 40 0 CDABHN CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079391099 277570180 /nfs/dbraw/zinc/57/01/80/277570180.db2.gz NCFPODCRYHLXNZ-LBPRGKRZSA-N 0 3 299.415 1.582 40 0 CDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1 ZINC000257220140 280539534 /nfs/dbraw/zinc/53/95/34/280539534.db2.gz DJSHNKUBDKCDIH-HNNXBMFYSA-N 0 3 298.346 1.581 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC000019576534 282007466 /nfs/dbraw/zinc/00/74/66/282007466.db2.gz JZRWWLBJRXLPCS-NSHDSACASA-N 0 3 261.325 1.129 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC000019576534 282007467 /nfs/dbraw/zinc/00/74/67/282007467.db2.gz JZRWWLBJRXLPCS-NSHDSACASA-N 0 3 261.325 1.129 40 0 CDABHN CN1C[C@H]2CCC[C@]3(C1)C(=O)NC1(CCCCC1)N=C23 ZINC000000517750 290310106 /nfs/dbraw/zinc/31/01/06/290310106.db2.gz AYPMERHGGUTLLS-IUODEOHRSA-N 0 3 275.396 1.950 40 0 CDABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)CC(C)(C)C)[C@H]1O ZINC000514289680 330463300 /nfs/dbraw/zinc/46/33/00/330463300.db2.gz YESKRMIKCMUCFH-MBNYWOFBSA-N 0 3 286.416 1.009 40 0 biogenic,in-vitro CDABHN Cn1cc(CN2CCC[C@]3(CCC(=O)N3)CC2)cn1 ZINC000096047443 185072686 /nfs/dbraw/zinc/07/26/86/185072686.db2.gz GVHQKHFCAFRZRA-AWEZNQCLSA-N 0 3 262.357 1.055 40 0 CDABHN Cc1noc(C)c1CN1CCO[C@H]2CN(CC3CC3)C[C@H]21 ZINC000096054368 185075760 /nfs/dbraw/zinc/07/57/60/185075760.db2.gz QJWGYRGNFWAPOU-CVEARBPZSA-N 0 3 291.395 1.586 40 0 CDABHN C[C@@H]1N(C)C(=O)COC12CCN(Cc1ccsc1)CC2 ZINC000096062223 185082869 /nfs/dbraw/zinc/08/28/69/185082869.db2.gz YFLJVOAUBDTUEI-LBPRGKRZSA-N 0 3 294.420 1.960 40 0 CDABHN CCOCCN1CCC[C@@](O)(COc2ccccc2)C1 ZINC000585269281 342254556 /nfs/dbraw/zinc/25/45/56/342254556.db2.gz OGJHOKAUMVUZFJ-INIZCTEOSA-N 0 3 279.380 1.929 40 0 CDABHN COCCOCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C ZINC000257313571 362585994 /nfs/dbraw/zinc/58/59/94/362585994.db2.gz UTFRVVGMGNPDHJ-ZFWWWQNUSA-N 0 3 284.400 1.125 40 0 CDABHN c1coc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)c1 ZINC000107746625 186189641 /nfs/dbraw/zinc/18/96/41/186189641.db2.gz ZWTCNAXGRQULHT-ZBFHGGJFSA-N 0 3 276.380 1.965 40 0 CDABHN O=C(N[C@H]1CCC[C@@H](CO)C1)C1CN(C2CCCCC2)C1 ZINC000334057346 363407788 /nfs/dbraw/zinc/40/77/88/363407788.db2.gz WCSLOMZNMSSVTP-HIFRSBDPSA-N 0 3 294.439 1.918 40 0 CDABHN Cc1ccc2c(c1)cc(CNC[C@H]1CCCO1)c1nnnn12 ZINC000019221196 356476959 /nfs/dbraw/zinc/47/69/59/356476959.db2.gz PAYKYTBTHLPVSD-CQSZACIVSA-N 0 3 297.362 1.855 40 0 CDABHN COC(=O)c1ccc([C@@H](N)CNC(=O)OC(C)(C)C)cc1 ZINC000019796195 356505031 /nfs/dbraw/zinc/50/50/31/356505031.db2.gz WSCKSSOLXHEIAS-LBPRGKRZSA-N 0 3 294.351 1.998 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409495 356992037 /nfs/dbraw/zinc/99/20/37/356992037.db2.gz UWZKUJZFNNRYNC-WDEREUQCSA-N 0 3 285.388 1.097 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCN(CCO)C1)C1CC1 ZINC000079408190 356992056 /nfs/dbraw/zinc/99/20/56/356992056.db2.gz PPFICRCNTMBZCF-GFCCVEGCSA-N 0 3 284.400 1.700 40 0 CDABHN C[C@H](N)C(=O)N(C)Cc1ccnc(Br)c1 ZINC000079421629 356996815 /nfs/dbraw/zinc/99/68/15/356996815.db2.gz OZQUEGKHYQMYNW-ZETCQYMHSA-N 0 3 272.146 1.150 40 0 CDABHN NCC(=O)NC[C@H]1CCCCN1Cc1ccccc1 ZINC000079404110 358068829 /nfs/dbraw/zinc/06/88/29/358068829.db2.gz CHSRVIMTHWTFTE-CQSZACIVSA-N 0 3 261.369 1.116 40 0 CDABHN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C)C2)c1 ZINC000082334530 358160975 /nfs/dbraw/zinc/16/09/75/358160975.db2.gz ZXEXAKWRDSSWMC-GFCCVEGCSA-N 0 3 276.336 1.754 40 0 CDABHN C[C@H]1NC(=O)COC12CCN(Cc1cccs1)CC2 ZINC000096201468 358718116 /nfs/dbraw/zinc/71/81/16/358718116.db2.gz CRXPSUNRRPFJRI-LLVKDONJSA-N 0 3 280.393 1.618 40 0 CDABHN c1ncn2c1CNC[C@@H](COCC1CCOCC1)C2 ZINC000096209713 358721332 /nfs/dbraw/zinc/72/13/32/358721332.db2.gz NGCQQWOTCSQLSU-CYBMUJFWSA-N 0 3 265.357 1.046 40 0 CDABHN CC(C)CNC(=O)[C@H]1C[C@@H]2CN(CC(C)C)C[C@H]1O2 ZINC000096252960 358727806 /nfs/dbraw/zinc/72/78/06/358727806.db2.gz ZMLXNQLECUBLDM-HZSPNIEDSA-N 0 3 268.401 1.504 40 0 CDABHN CC(C)N(C)Cc1n[nH]c2c1CCN(c1cnccn1)C2 ZINC000096255847 358728355 /nfs/dbraw/zinc/72/83/55/358728355.db2.gz AIBASEGUIJNWSW-UHFFFAOYSA-N 0 3 286.383 1.603 40 0 CDABHN CCOc1cc(N2CCNCC2)nc(SC)n1 ZINC000079441781 374407321 /nfs/dbraw/zinc/40/73/21/374407321.db2.gz UXKXCUKAKFAMBU-UHFFFAOYSA-N 0 3 254.359 1.007 40 0 CDABHN COc1ccc(OC)c([C@@H](CN)N2CCOCC2)c1 ZINC000019796346 374791214 /nfs/dbraw/zinc/79/12/14/374791214.db2.gz GUGVZBRWYKIBAN-CYBMUJFWSA-N 0 3 266.341 1.036 40 0 CDABHN NC[C@H](c1c(F)cccc1Cl)N1CCOCC1 ZINC000019796276 375503938 /nfs/dbraw/zinc/50/39/38/375503938.db2.gz NQMWWIVPSDGTBH-LLVKDONJSA-N 0 3 258.724 1.811 40 0 CDABHN COCCCNCc1cnn(C)c1C(F)(F)F ZINC000256054724 190005413 /nfs/dbraw/zinc/00/54/13/190005413.db2.gz XMRTVYCHBGJDEH-UHFFFAOYSA-N 0 3 251.252 1.565 40 0 CDABHN CN(C)C(=O)c1cc(C[C@@H]2CCCN(C)C2)ncn1 ZINC000257245325 190019099 /nfs/dbraw/zinc/01/90/99/190019099.db2.gz IOZFFGABJOVZBG-NSHDSACASA-N 0 3 262.357 1.063 40 0 CDABHN CC(C)(N)C(=O)N1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257255853 190021965 /nfs/dbraw/zinc/02/19/65/190021965.db2.gz KJCPSPUSNUNEPO-KWCYVHTRSA-N 0 3 289.379 1.435 40 0 CDABHN CCOC(=O)[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000217987793 375771921 /nfs/dbraw/zinc/77/19/21/375771921.db2.gz HMHXGAGTKLGKGK-OCCSQVGLSA-N 0 3 297.376 1.049 40 0 CDABHN COC[C@@H]1CN(CC2CCOCC2)Cc2cnn(C)c21 ZINC000096060043 285299903 /nfs/dbraw/zinc/29/99/03/285299903.db2.gz XXMLPTPFYTWZGF-AWEZNQCLSA-N 0 3 279.384 1.392 40 0 CDABHN COc1cccc(CC(=O)N2CC[C@H]3[C@H]2CCN3C)c1 ZINC000096184256 256814786 /nfs/dbraw/zinc/81/47/86/256814786.db2.gz VZVUQHGVSNWNSS-LSDHHAIUSA-N 0 3 274.364 1.543 40 0 CDABHN Cc1cc(N2CCN(C(C)C)CC2)ncc1[C@@H](C)O ZINC000072223705 390624272 /nfs/dbraw/zinc/62/42/72/390624272.db2.gz SQEDWHSCBMRIAE-CYBMUJFWSA-N 0 3 263.385 1.974 40 0 CDABHN Cc1nc(N2CCNCC2)ccc1[C@@H](O)c1ccccc1 ZINC000072224625 390624785 /nfs/dbraw/zinc/62/47/85/390624785.db2.gz MSAZOEASBUKZDX-KRWDZBQOSA-N 0 3 283.375 1.881 40 0 CDABHN COc1cccc([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1OC ZINC000022161712 171364373 /nfs/dbraw/zinc/36/43/73/171364373.db2.gz SUUAHXZFOMJMML-MBNYWOFBSA-N 0 3 294.395 1.813 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000022163617 171364742 /nfs/dbraw/zinc/36/47/42/171364742.db2.gz NIWVOHGOFAIGBA-ZOWXZIJZSA-N 0 3 264.369 1.804 40 0 CDABHN C[C@@H](NCCN(C)C)C(=O)N1CCc2ccccc21 ZINC000022586172 171393352 /nfs/dbraw/zinc/39/33/52/171393352.db2.gz NHSODKFYYNGQJT-GFCCVEGCSA-N 0 3 261.369 1.115 40 0 CDABHN CN(C)CCNC(=O)c1ccc(Oc2ncccn2)cc1 ZINC000070642243 175999151 /nfs/dbraw/zinc/99/91/51/175999151.db2.gz CJHFTIRWHKPXOY-UHFFFAOYSA-N 0 3 286.335 1.560 40 0 CDABHN CN([C@@H]1CCCNC1)S(=O)(=O)c1cccs1 ZINC000072203297 176341675 /nfs/dbraw/zinc/34/16/75/176341675.db2.gz MHAZBZGQGBDIOB-SECBINFHSA-N 0 3 260.384 1.121 40 0 CDABHN Cc1nnc(C2CCN([C@@H]3CCCC[C@H]3O)CC2)o1 ZINC000072367450 176381839 /nfs/dbraw/zinc/38/18/39/176381839.db2.gz YXJYMIZPLSQURK-CHWSQXEVSA-N 0 3 265.357 1.861 40 0 CDABHN CCN(C(C)=O)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000242701550 261269232 /nfs/dbraw/zinc/26/92/32/261269232.db2.gz WHPDOPYAWKRBIG-IHRRRGAJSA-N 0 3 283.416 1.266 40 0 CDABHN CC[C@H](C)N1CCC[C@]2(CN(c3ncccn3)C2=O)C1 ZINC000585099474 342212169 /nfs/dbraw/zinc/21/21/69/342212169.db2.gz MBXKHOHUZYIKIJ-SWLSCSKDSA-N 0 3 274.368 1.704 40 0 CDABHN CCCCN1CCC[C@@]2(CC(C(=O)NC)=NO2)C1 ZINC000585101297 342212350 /nfs/dbraw/zinc/21/23/50/342212350.db2.gz WGPJCZKHPTWNIZ-CYBMUJFWSA-N 0 3 253.346 1.143 40 0 CDABHN O[C@]1(COc2ccccc2)COCCN(CC2CC2)C1 ZINC000585269338 342254540 /nfs/dbraw/zinc/25/45/40/342254540.db2.gz PRNYYJORBQDVMW-INIZCTEOSA-N 0 3 277.364 1.539 40 0 CDABHN CC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]21 ZINC000248257992 362159268 /nfs/dbraw/zinc/15/92/68/362159268.db2.gz VGKQIWWCSFBJTP-ZIAGYGMSSA-N 0 3 259.353 1.494 40 0 CDABHN c1coc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)c1 ZINC000253588942 362439377 /nfs/dbraw/zinc/43/93/77/362439377.db2.gz ZWTCNAXGRQULHT-HOCLYGCPSA-N 0 3 276.380 1.965 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404645 356990517 /nfs/dbraw/zinc/99/05/17/356990517.db2.gz WBPPPFVISLBPTQ-CVEARBPZSA-N 0 3 289.423 1.703 40 0 CDABHN C[C@H](N)C(=O)N1CC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409859 356992519 /nfs/dbraw/zinc/99/25/19/356992519.db2.gz NTDGNDBPYIFROP-CMPLNLGQSA-N 0 3 297.399 1.334 40 0 CDABHN O=C(NC[C@H]1CCCN1CCO)OCc1ccccc1 ZINC000079410866 356993502 /nfs/dbraw/zinc/99/35/02/356993502.db2.gz PKCBVRHWEFPIIV-CQSZACIVSA-N 0 3 278.352 1.370 40 0 CDABHN CC(=O)N(C(C)C)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N ZINC000079417748 356995762 /nfs/dbraw/zinc/99/57/62/356995762.db2.gz CDMZWCASOCCJIS-WCFLWFBJSA-N 0 3 269.389 1.018 40 0 CDABHN CC(C)[C@H](N)C(=O)N(Cc1nccnc1Cl)C(C)C ZINC000079435786 356996521 /nfs/dbraw/zinc/99/65/21/356996521.db2.gz WMOFTDMAIMVDAK-NSHDSACASA-N 0 3 284.791 1.850 40 0 CDABHN CC(=O)N1CC2(C1)C[C@H](COCc1ccncc1)CN2C ZINC000585093864 358098533 /nfs/dbraw/zinc/09/85/33/358098533.db2.gz LLHWWQFVDDBVNZ-HNNXBMFYSA-N 0 3 289.379 1.151 40 0 CDABHN CCOC[C@H]1CC2(CO1)CCN(Cc1cnn(C)c1)CC2 ZINC000096209306 358721165 /nfs/dbraw/zinc/72/11/65/358721165.db2.gz GIMNHZGXXYLBSG-OAHLLOKOSA-N 0 3 293.411 1.828 40 0 CDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccco1)CC[C@H]2OC ZINC000096209322 358721494 /nfs/dbraw/zinc/72/14/94/358721494.db2.gz YGXOIRMOJABJFT-ARFHVFGLSA-N 0 3 294.395 1.447 40 0 CDABHN CN1CCNC(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096230012 358723683 /nfs/dbraw/zinc/72/36/83/358723683.db2.gz YRSIUMUZTONKGX-UHFFFAOYSA-N 0 3 279.409 1.144 40 0 CDABHN NC[C@@H]1CCN(Cc2cccc(Cl)c2)S1(=O)=O ZINC000222537384 359352078 /nfs/dbraw/zinc/35/20/78/359352078.db2.gz MDABVFKBAGAQCW-NSHDSACASA-N 0 3 274.773 1.203 40 0 CDABHN COC(=O)[C@@H]1C[C@@H](O)CN1C[C@H]1C(C)=CCC[C@@H]1C ZINC000225516247 374637922 /nfs/dbraw/zinc/63/79/22/374637922.db2.gz GVMYSEUEEJARIT-CRWXNKLISA-N 0 3 267.369 1.587 40 0 CDABHN O=C(c1ccc2c(c1)OCO2)N1CCN2CCC[C@H]2C1 ZINC000027932880 375162592 /nfs/dbraw/zinc/16/25/92/375162592.db2.gz IFOPIPXPEHXBCY-LBPRGKRZSA-N 0 3 274.320 1.336 40 0 CDABHN Cn1cncc1-c1cncc([C@H]2CCCN(CCO)C2)n1 ZINC000257220164 190014442 /nfs/dbraw/zinc/01/44/42/190014442.db2.gz DJUXJYYIGJLKQC-LBPRGKRZSA-N 0 3 287.367 1.049 40 0 CDABHN Cn1nccc1-c1nccnc1C1CCN(C)CC1 ZINC000257236648 190018066 /nfs/dbraw/zinc/01/80/66/190018066.db2.gz HDBQTKFRZIZYQO-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN Cc1nc2ccccn2c1CC(=O)N1CCCN(C)CC1 ZINC000257236368 190018158 /nfs/dbraw/zinc/01/81/58/190018158.db2.gz HBVISASTDWMVDS-UHFFFAOYSA-N 0 3 286.379 1.349 40 0 CDABHN NC(=O)CN1C[C@@H]2[C@@H](Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000257290740 190027414 /nfs/dbraw/zinc/02/74/14/190027414.db2.gz QECUECQJCNGOEF-UMVBOHGHSA-N 0 3 276.355 1.812 40 0 CDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391219 390421123 /nfs/dbraw/zinc/42/11/23/390421123.db2.gz REDRTODBLIBYAX-WDEREUQCSA-N 0 3 285.388 1.192 40 0 CDABHN Cc1nc(N2CCN(C(C)C)CC2)ccc1CCO ZINC000072224765 390625160 /nfs/dbraw/zinc/62/51/60/390625160.db2.gz AOCQAJUZSRPTOV-UHFFFAOYSA-N 0 3 263.385 1.455 40 0 CDABHN CN1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000026440437 391106933 /nfs/dbraw/zinc/10/69/33/391106933.db2.gz KQZBERXDFXIJQV-UHFFFAOYSA-N 0 3 250.733 1.968 40 0 CDABHN C[C@@H]1OCC[C@]1(O)CNCc1cnn(C(C)(C)C)c1 ZINC000227966660 140187917 /nfs/dbraw/zinc/18/79/17/140187917.db2.gz VQUXOHCFKYKJDC-FZMZJTMJSA-N 0 3 267.373 1.268 40 0 CDABHN OC[C@@H]1CCCN(Cc2ccc3nccnc3c2)C1 ZINC000072397801 176395567 /nfs/dbraw/zinc/39/55/67/176395567.db2.gz NVYCAEJWPWCUKR-CYBMUJFWSA-N 0 3 257.337 1.834 40 0 CDABHN CCN1CCCC[C@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000078499881 177347535 /nfs/dbraw/zinc/34/75/35/177347535.db2.gz GSXHVJNJVVXWER-HNNXBMFYSA-N 0 3 297.443 1.088 40 0 CDABHN COc1ccc(CN[C@@H]2CCC(=O)NC2)c(OC)c1OC ZINC000078553524 177353995 /nfs/dbraw/zinc/35/39/95/177353995.db2.gz BPAOAGSUXCWMER-LLVKDONJSA-N 0 3 294.351 1.081 40 0 CDABHN COC(=O)[C@H]1C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072398070 277387296 /nfs/dbraw/zinc/38/72/96/277387296.db2.gz XNWMGKAGYXRTAI-VNHYZAJKSA-N 0 3 273.332 1.782 40 0 CDABHN CN(C)CCNC(=O)COc1cccc2c1CCCC2 ZINC000225821892 230399923 /nfs/dbraw/zinc/39/99/23/230399923.db2.gz DUYHOJJKNJDESL-UHFFFAOYSA-N 0 3 276.380 1.622 40 0 CDABHN CCN1CC[C@@]12CCN(Cc1cccnc1OC)C2 ZINC000096075919 185089660 /nfs/dbraw/zinc/08/96/60/185089660.db2.gz JEKKBKOATBSJAI-OAHLLOKOSA-N 0 3 261.369 1.760 40 0 CDABHN O=C1OCCN1CCN1CCC[C@@H]1COc1ccccc1 ZINC000079100103 362626932 /nfs/dbraw/zinc/62/69/32/362626932.db2.gz BNDXLTWBMAKFLR-CQSZACIVSA-N 0 3 290.363 1.982 40 0 CDABHN CN1CC[C@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108527015 186220534 /nfs/dbraw/zinc/22/05/34/186220534.db2.gz YVVZNSXPLHKVFO-INIZCTEOSA-N 0 3 273.380 1.916 40 0 CDABHN CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108535355 186221663 /nfs/dbraw/zinc/22/16/63/186221663.db2.gz CYBPQFWXZUCNMS-GOEBONIOSA-N 0 3 290.411 1.501 40 0 CDABHN COc1ccc(C(=O)NC2CCN(C)CC2)cc1F ZINC000122994287 187064193 /nfs/dbraw/zinc/06/41/93/187064193.db2.gz GSGPXQKZBRRSNY-UHFFFAOYSA-N 0 3 266.316 1.658 40 0 CDABHN CC(C)(C)C(=O)C1[C@@H](C(=O)C(C)(C)C)S1(=O)=O ZINC000017022427 356452112 /nfs/dbraw/zinc/45/21/12/356452112.db2.gz WQCBCSWKGRQVKH-OCAPTIKFSA-N 0 3 260.355 1.382 40 0 CDABHN CC(C)(C)C(=O)C1[C@H](C(=O)C(C)(C)C)S1(=O)=O ZINC000017022427 356452116 /nfs/dbraw/zinc/45/21/16/356452116.db2.gz WQCBCSWKGRQVKH-OCAPTIKFSA-N 0 3 260.355 1.382 40 0 CDABHN Cc1noc(C)c1CC(=O)N(C)CCN1CCCCC1 ZINC000019657591 356494255 /nfs/dbraw/zinc/49/42/55/356494255.db2.gz XOCOBZRYTUQDEZ-UHFFFAOYSA-N 0 3 279.384 1.778 40 0 CDABHN Cc1noc(C)c1CN[C@@H](CO)Cc1ccccc1 ZINC000063218480 363495661 /nfs/dbraw/zinc/49/56/61/363495661.db2.gz IDNQMHCNAGAVFX-CQSZACIVSA-N 0 3 260.337 1.985 40 0 CDABHN N=C1Nc2nc3c(n2[C@@H](c2ccccc2)N1)CCC3 ZINC000040175504 356984746 /nfs/dbraw/zinc/98/47/46/356984746.db2.gz FNEORSLASDQVCQ-LBPRGKRZSA-N 0 3 253.309 1.468 40 0 CDABHN N[C@@]1(CF)CCN(C(=O)OCc2ccccc2)C1 ZINC000199768204 358092562 /nfs/dbraw/zinc/09/25/62/358092562.db2.gz CJCCGYFPDGOQDW-CYBMUJFWSA-N 0 3 252.289 1.696 40 0 CDABHN O=C1[C@H]2CN(Cc3ccco3)C[C@H]2CN1Cc1ccncc1 ZINC000096245140 358724631 /nfs/dbraw/zinc/72/46/31/358724631.db2.gz QZXHBZVVGYOPGN-HOCLYGCPSA-N 0 3 297.358 1.765 40 0 CDABHN Cc1ccc(N2C[C@@]3(CCN(CCO)C3)CC2=O)s1 ZINC000096239443 358724710 /nfs/dbraw/zinc/72/47/10/358724710.db2.gz HWKPXGCVETZKSN-AWEZNQCLSA-N 0 3 280.393 1.478 40 0 CDABHN COCCN1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096255260 358728863 /nfs/dbraw/zinc/72/88/63/358728863.db2.gz OPZBNHGOPMKMCI-UHFFFAOYSA-N 0 3 284.363 1.586 40 0 CDABHN NC[C@H]1CCN(Cc2ccc(Cl)cc2F)S1(=O)=O ZINC000222539389 359351637 /nfs/dbraw/zinc/35/16/37/359351637.db2.gz GSULCCWPCBYXTG-SNVBAGLBSA-N 0 3 292.763 1.342 40 0 CDABHN Cc1ccc(C)c(N2CC[C@@H](CN)S2(=O)=O)c1 ZINC000222540429 359352992 /nfs/dbraw/zinc/35/29/92/359352992.db2.gz KBHHLBSRAVOZRG-NSHDSACASA-N 0 3 254.355 1.171 40 0 CDABHN C(OCC1CC1)c1nn(CC2CC2)c2c1CNCC2 ZINC000306128025 374967439 /nfs/dbraw/zinc/96/74/39/374967439.db2.gz GNZFGMCXGALGCP-UHFFFAOYSA-N 0 3 261.369 1.865 40 0 CDABHN Cc1nn(CCC(=O)NCCN(C)C)c2ccccc12 ZINC000057279974 375409686 /nfs/dbraw/zinc/40/96/86/375409686.db2.gz VRLHTLQNZKAJJK-UHFFFAOYSA-N 0 3 274.368 1.413 40 0 CDABHN Cc1nc(-c2ncc[nH]2)cc([C@H]2CCCN(CCO)C2)n1 ZINC000257200761 190010956 /nfs/dbraw/zinc/01/09/56/190010956.db2.gz AEUIGAITODSFCO-LBPRGKRZSA-N 0 3 287.367 1.347 40 0 CDABHN CN(C)Cc1c[nH]c([C@H]2CCN(Cc3cnn(C)c3)C2)n1 ZINC000257302125 190030044 /nfs/dbraw/zinc/03/00/44/190030044.db2.gz SBQFOSIZFBIEFK-ZDUSSCGKSA-N 0 3 288.399 1.194 40 0 CDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC000257344984 190037693 /nfs/dbraw/zinc/03/76/93/190037693.db2.gz ZZLLISLLKKNPNO-ZDUSSCGKSA-N 0 3 288.307 1.174 40 0 CDABHN CN1CCC[C@]2(CCN(C(=O)c3ccncc3)C2)C1 ZINC000063527692 378303411 /nfs/dbraw/zinc/30/34/11/378303411.db2.gz XHSZJIQPYHWANT-HNNXBMFYSA-N 0 3 259.353 1.640 40 0 CDABHN COc1ccc([C@H](CNC(C)=O)N2CCCC2)cc1 ZINC000046868340 378821114 /nfs/dbraw/zinc/82/11/14/378821114.db2.gz HFKGRTAPKUVQLB-HNNXBMFYSA-N 0 3 262.353 1.968 40 0 CDABHN O=C(NC1CCC1)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096253131 256835957 /nfs/dbraw/zinc/83/59/57/256835957.db2.gz LOXQBHSDAQDEGD-HZSPNIEDSA-N 0 3 264.369 1.154 40 0 CDABHN CC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)C(C)C ZINC000079418139 390421835 /nfs/dbraw/zinc/42/18/35/390421835.db2.gz HMORCFYIDHFFMX-KFWWJZLASA-N 0 3 295.427 1.408 40 0 CDABHN CCOC[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013609 130765028 /nfs/dbraw/zinc/76/50/28/130765028.db2.gz HUWQZPKWFVVEMZ-IHRRRGAJSA-N 0 3 283.393 1.179 40 0 CDABHN COC(=O)[C@@H](c1ccccc1)C1(O)CCN(C)CC1 ZINC000006437967 170201493 /nfs/dbraw/zinc/20/14/93/170201493.db2.gz GZTJNAWEAHHUMA-CYBMUJFWSA-N 0 3 263.337 1.400 40 0 CDABHN CN(C)Cc1cc(N(C)C)nc([C@@H]2CCCN(C)C2)n1 ZINC000072352025 176374381 /nfs/dbraw/zinc/37/43/81/176374381.db2.gz OALCXHBFWSMOFH-GFCCVEGCSA-N 0 3 277.416 1.413 40 0 CDABHN CCN(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079390883 278998027 /nfs/dbraw/zinc/99/80/27/278998027.db2.gz FOPFLGRUZVXQIR-NEPJUHHUSA-N 0 3 299.415 1.630 40 0 CDABHN CN1CCC(N2CCC[C@@H]2c2ncc(C(N)=O)s2)CC1 ZINC000257205521 517945161 /nfs/dbraw/zinc/94/51/61/517945161.db2.gz AZLXRIQZOQHVOK-LLVKDONJSA-N 0 3 294.424 1.473 40 0 CDABHN CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(N)c1 ZINC000226262945 535333077 /nfs/dbraw/zinc/33/30/77/535333077.db2.gz ICBQGXPVLTWSLF-UHFFFAOYSA-N 0 3 276.384 1.759 40 0 CDABHN CCN1CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O ZINC000096046737 185071088 /nfs/dbraw/zinc/07/10/88/185071088.db2.gz JFDDOZWRQIJWLR-UHFFFAOYSA-N 0 3 276.384 1.255 40 0 CDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccoc3)C[C@H]2C1 ZINC000096053964 185076707 /nfs/dbraw/zinc/07/67/07/185076707.db2.gz YLPPIAMNECFIMI-OKILXGFUSA-N 0 3 298.346 1.274 40 0 CDABHN COCCN1C[C@@H](OCc2ccncc2)[C@H]2OCCC[C@H]21 ZINC000096100065 185097941 /nfs/dbraw/zinc/09/79/41/185097941.db2.gz RFQQXADLJWBJBE-OAGGEKHMSA-N 0 3 292.379 1.476 40 0 CDABHN CONC(=O)NC[C@]1(C)CCCN1Cc1ccccc1 ZINC000157421521 342204383 /nfs/dbraw/zinc/20/43/83/342204383.db2.gz UURWMCKUXPWKNP-HNNXBMFYSA-N 0 3 277.368 1.902 40 0 CDABHN O[C@H]1CN(Cc2cnc[nH]2)CC[C@@H]1Cc1ccccc1F ZINC000585277060 342256451 /nfs/dbraw/zinc/25/64/51/342256451.db2.gz FRSFVKODLMSIHC-CJNGLKHVSA-N 0 3 289.354 1.974 40 0 CDABHN CN1C[C@@H]2COCCN2C2(CN(C3CCCCC3)C2)C1 ZINC000604381954 344886426 /nfs/dbraw/zinc/88/64/26/344886426.db2.gz WNURLHIYAKMOGP-OAHLLOKOSA-N 0 3 279.428 1.020 40 0 biogenic,in-vitro CDABHN COCCNCCNC(=O)c1cc(Cl)nc(Cl)c1 ZINC000152465791 346755792 /nfs/dbraw/zinc/75/57/92/346755792.db2.gz PLZXOPIHTZLYJO-UHFFFAOYSA-N 0 3 292.166 1.354 40 0 CDABHN COCCN1CC[C@@]2(C[C@@H](Oc3ccccc3)CO2)C1 ZINC000107225738 186163238 /nfs/dbraw/zinc/16/32/38/186163238.db2.gz BARYWAMDNKJXDT-HZPDHXFCSA-N 0 3 277.364 1.945 40 0 CDABHN O=C(C[C@H]1[C@H]2CN(Cc3ccco3)C[C@@H]12)N1CCCC1 ZINC000107745881 186188774 /nfs/dbraw/zinc/18/87/74/186188774.db2.gz AQFKNUCCGZBRDD-QDMKHBRRSA-N 0 3 274.364 1.970 40 0 CDABHN COc1ccc(C(=O)C(CN(C)C)CN(C)C)c(OC)c1 ZINC000001589495 355940799 /nfs/dbraw/zinc/94/07/99/355940799.db2.gz UBJTXZUQCXVLSS-UHFFFAOYSA-N 0 3 294.395 1.626 40 0 CDABHN CCNCC(=O)Nc1ccccc1C(=O)OCC ZINC000001672712 355946177 /nfs/dbraw/zinc/94/61/77/355946177.db2.gz RYYXMTCDMJKFDO-UHFFFAOYSA-N 0 3 250.298 1.411 40 0 CDABHN CC(C)[C@H](N)C(=O)NCc1ccc2c(c1)OCCO2 ZINC000040805426 356874022 /nfs/dbraw/zinc/87/40/22/356874022.db2.gz GVYBNUGUEIGYDF-ZDUSSCGKSA-N 0 3 264.325 1.057 40 0 CDABHN COC(=O)C[C@@H](C)NCc1ccc2c(c1)OCO2 ZINC000047219175 357154016 /nfs/dbraw/zinc/15/40/16/357154016.db2.gz UXXUHBOGEKSZOW-SECBINFHSA-N 0 3 251.282 1.457 40 0 CDABHN CN1CCC(NC(=O)c2ccc(F)cc2F)CC1 ZINC000047829351 357165019 /nfs/dbraw/zinc/16/50/19/357165019.db2.gz CCCLHFMSQTWVJE-UHFFFAOYSA-N 0 3 254.280 1.789 40 0 CDABHN CO[C@@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096158778 358709994 /nfs/dbraw/zinc/70/99/94/358709994.db2.gz KPNRLRSBOQETAA-AWEZNQCLSA-N 0 3 262.353 1.852 40 0 CDABHN CN1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 ZINC000096158951 358710969 /nfs/dbraw/zinc/71/09/69/358710969.db2.gz DHRYDXMNXYCWPW-UHFFFAOYSA-N 0 3 275.352 1.018 40 0 CDABHN Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccoc2)cn1 ZINC000096184594 358714392 /nfs/dbraw/zinc/71/43/92/358714392.db2.gz UMODZDXOLCJWHV-CVEARBPZSA-N 0 3 286.379 1.862 40 0 CDABHN COCCN1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202477 358719451 /nfs/dbraw/zinc/71/94/51/358719451.db2.gz GLKAGTXHLPSVCJ-UHFFFAOYSA-N 0 3 266.410 1.902 40 0 CDABHN Cc1nnc(N2C[C@@H]3CN(CC4CC4)CCO[C@@H]3C2)s1 ZINC000096219410 358722095 /nfs/dbraw/zinc/72/20/95/358722095.db2.gz RQAUOSLZCPFDGK-QWHCGFSZSA-N 0 3 294.424 1.394 40 0 CDABHN CN1C(=O)C[C@@H](c2ccccc2)C12CCN(CCO)CC2 ZINC000096261200 358729484 /nfs/dbraw/zinc/72/94/84/358729484.db2.gz YXDHNNXFCIOVGQ-HNNXBMFYSA-N 0 3 288.391 1.459 40 0 CDABHN NC[C@@H](c1c(F)cccc1Cl)N1CCOCC1 ZINC000019796278 367280393 /nfs/dbraw/zinc/28/03/93/367280393.db2.gz NQMWWIVPSDGTBH-NSHDSACASA-N 0 3 258.724 1.811 40 0 CDABHN CC[C@@H](COc1ccccc1)NC(=O)[C@@]1(F)CCNC1 ZINC000225488721 374495994 /nfs/dbraw/zinc/49/59/94/374495994.db2.gz BBEAKQNQUZYKKV-SWLSCSKDSA-N 0 3 280.343 1.662 40 0 CDABHN N[C@@H]1COC[C@H]1Oc1ccc(Br)cc1 ZINC000117371587 374538952 /nfs/dbraw/zinc/53/89/52/374538952.db2.gz GRTOEAAOPRPWSN-NXEZZACHSA-N 0 3 258.115 1.554 40 0 CDABHN CC(C(=O)NC1(c2ccc(F)cc2)CC1)S(C)(=O)=O ZINC000079040611 374762019 /nfs/dbraw/zinc/76/20/19/374762019.db2.gz PLIKYHQRANDWED-VIFPVBQESA-N 0 3 285.340 1.364 40 0 CDABHN CCn1nc(C)c(CNCCCN2CCOCC2)c1F ZINC000256049781 190002117 /nfs/dbraw/zinc/00/21/17/190002117.db2.gz BKIPCURZLNHREV-UHFFFAOYSA-N 0 3 284.379 1.162 40 0 CDABHN Cc1c[nH]nc1[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000257201478 190010790 /nfs/dbraw/zinc/01/07/90/190010790.db2.gz AHVRZNSFWZVUOF-ZDUSSCGKSA-N 0 3 259.357 1.831 40 0 CDABHN Cc1ccc(C(=O)N2CC[C@@](O)(CN(C)C)C2)cc1F ZINC000257216789 190013726 /nfs/dbraw/zinc/01/37/26/190013726.db2.gz CWBAXDSULNKOME-OAHLLOKOSA-N 0 3 280.343 1.273 40 0 CDABHN CN1CCN(CC2(O)CCOCC2)C[C@H]1c1ccccc1 ZINC000257244507 190019460 /nfs/dbraw/zinc/01/94/60/190019460.db2.gz ILQSNAAXONZEOY-INIZCTEOSA-N 0 3 290.407 1.517 40 0 CDABHN CCCS(=O)(=O)N1CC[C@H](c2cc(NC)cc(C)n2)C1 ZINC000257247055 190019469 /nfs/dbraw/zinc/01/94/69/190019469.db2.gz IXEUEOQJKSCDLJ-LBPRGKRZSA-N 0 3 297.424 1.961 40 0 CDABHN CCCS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2CC ZINC000008300458 376533670 /nfs/dbraw/zinc/53/36/70/376533670.db2.gz YSICNLVCVYQWDZ-RWMBFGLXSA-N 0 3 274.430 1.436 40 0 biogenic,in-vitro CDABHN CCN(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409184 285022587 /nfs/dbraw/zinc/02/25/87/285022587.db2.gz SMOIGOVICNSBOJ-LBPRGKRZSA-N 0 3 299.415 1.441 40 0 CDABHN CC(C)OC(=O)[C@H](C)CNC(=O)N1CCC[C@H](N(C)C)C1 ZINC000080529650 177665096 /nfs/dbraw/zinc/66/50/96/177665096.db2.gz GONYOMOXGXABBV-OLZOCXBDSA-N 0 3 299.415 1.310 40 0 CDABHN O=C1O[C@]2(CN1c1cccc(Cl)c1)CNCCOC2 ZINC000257205249 391648269 /nfs/dbraw/zinc/64/82/69/391648269.db2.gz AYEUNUYAHVGCQL-ZDUSSCGKSA-N 0 3 282.727 1.655 40 0 CDABHN CCN(CC)CCn1c2ccccc2c(=O)n(CC)c1=O ZINC000005508774 170105541 /nfs/dbraw/zinc/10/55/41/170105541.db2.gz FKOGKQVNQCYVFF-UHFFFAOYSA-N 0 3 289.379 1.525 40 0 CDABHN CN(C)C(=O)[C@]1(C)CCCN(Cc2cnn(C)c2)C1 ZINC000072355267 176374617 /nfs/dbraw/zinc/37/46/17/176374617.db2.gz GOHZYACPGIPWCY-CQSZACIVSA-N 0 3 264.373 1.110 40 0 CDABHN Cn1cc(CN2CCC[C@](O)(c3nccn3C)CC2)cn1 ZINC000072369582 176384167 /nfs/dbraw/zinc/38/41/67/176384167.db2.gz VYLINYIPDKVRLX-OAHLLOKOSA-N 0 3 289.383 1.027 40 0 CDABHN OCCCCNCc1cc(-c2ccccc2)cn2nnnc12 ZINC000072392674 176394497 /nfs/dbraw/zinc/39/44/97/176394497.db2.gz NYSBBOXNLWIUIR-UHFFFAOYSA-N 0 3 297.362 1.653 40 0 CDABHN CC(=O)c1nnn(-c2ccccc2)c1NCCN(C)C ZINC000072397505 176395250 /nfs/dbraw/zinc/39/52/50/176395250.db2.gz JKLTZFUCTROTLL-UHFFFAOYSA-N 0 3 273.340 1.443 40 0 CDABHN CCN1CCCC[C@@H]1C(=O)NC1CCN(CCOC)CC1 ZINC000078499878 177347560 /nfs/dbraw/zinc/34/75/60/177347560.db2.gz GSXHVJNJVVXWER-OAHLLOKOSA-N 0 3 297.443 1.088 40 0 CDABHN OCCCCCNCc1cnc(N2CCCC2)nc1 ZINC000062717827 262303210 /nfs/dbraw/zinc/30/32/10/262303210.db2.gz OWUYEASRYFCXIA-UHFFFAOYSA-N 0 3 264.373 1.329 40 0 CDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052270 185074106 /nfs/dbraw/zinc/07/41/06/185074106.db2.gz GDBFNEDONSWOJO-HZPDHXFCSA-N 0 3 294.395 1.591 40 0 CDABHN c1cn2c(n1)CNC[C@@H](COCc1ccccn1)C2 ZINC000096059153 185078896 /nfs/dbraw/zinc/07/88/96/185078896.db2.gz NNCJSRDJVIMQSQ-GFCCVEGCSA-N 0 3 258.325 1.214 40 0 CDABHN CCN1CC[C@@]2(CCCN(Cc3ccncc3)C2)C1=O ZINC000096073929 185088883 /nfs/dbraw/zinc/08/88/83/185088883.db2.gz CYOSVHNPRGGWDB-MRXNPFEDSA-N 0 3 273.380 1.916 40 0 CDABHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CSCCN2 ZINC000096950751 185139419 /nfs/dbraw/zinc/13/94/19/185139419.db2.gz AZTNWANRFKZKKM-LBPRGKRZSA-N 0 3 258.387 1.702 40 0 CDABHN CN(C)C[C@@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000585095181 342211397 /nfs/dbraw/zinc/21/13/97/342211397.db2.gz ILLAHJXWZSMAAZ-CYBMUJFWSA-N 0 3 262.357 1.128 40 0 CDABHN Fc1ccccc1-c1nsc(N2CCNCC2)n1 ZINC000144223230 362249075 /nfs/dbraw/zinc/24/90/75/362249075.db2.gz LXVLSLQAGSMZGT-UHFFFAOYSA-N 0 3 264.329 1.754 40 0 CDABHN CC(=O)c1ccc(OC[C@H](O)CN2CCCC2)cc1 ZINC000001475574 355937794 /nfs/dbraw/zinc/93/77/94/355937794.db2.gz BEARVAYTPVGXCM-CQSZACIVSA-N 0 3 263.337 1.725 40 0 CDABHN CN(C)C[C@H]1CCc2cc3c(cc2C1=O)OCCO3 ZINC000005535399 356055710 /nfs/dbraw/zinc/05/57/10/356055710.db2.gz IDNNHIVEBYGLOF-LLVKDONJSA-N 0 3 261.321 1.765 40 0 CDABHN CCN(C(=O)CN)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079390858 356988703 /nfs/dbraw/zinc/98/87/03/356988703.db2.gz YMJFAOLCBWLRKS-LLVKDONJSA-N 0 3 285.388 1.193 40 0 CDABHN O=C(NC[C@H]1CCCCN1CCO)OCc1ccccc1 ZINC000079410899 356994011 /nfs/dbraw/zinc/99/40/11/356994011.db2.gz SVWFMOORXWPNBE-OAHLLOKOSA-N 0 3 292.379 1.760 40 0 CDABHN CN1CCC[C@H](c2cccc(N3CCOCC3)n2)C1 ZINC000072386616 357832241 /nfs/dbraw/zinc/83/22/41/357832241.db2.gz UPSYWVAMGPCXFM-ZDUSSCGKSA-N 0 3 261.369 1.727 40 0 CDABHN C[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161627 358710863 /nfs/dbraw/zinc/71/08/63/358710863.db2.gz XBCJMRRVTVSQLB-NYTXWWLZSA-N 0 3 285.391 1.628 40 0 CDABHN CCO[C@@H]1C[C@H]2CN(Cc3ccc(C)o3)CCN2C1 ZINC000096249530 358726662 /nfs/dbraw/zinc/72/66/62/358726662.db2.gz BPEAIMZOWKTPQS-DZGCQCFKSA-N 0 3 264.369 1.883 40 0 CDABHN Cc1noc(C)c1CN1CCO[C@H]2CN(C(C)C)C[C@H]21 ZINC000096248829 358726713 /nfs/dbraw/zinc/72/67/13/358726713.db2.gz QNBCKLREDJMJRO-CABCVRRESA-N 0 3 279.384 1.585 40 0 CDABHN Cc1ccc(C(=O)N2CCC[C@]3(CNCCO3)C2)cc1 ZINC000096268854 358730317 /nfs/dbraw/zinc/73/03/17/358730317.db2.gz CBTAGUMFXQZLAK-INIZCTEOSA-N 0 3 274.364 1.590 40 0 CDABHN CC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096268680 358730604 /nfs/dbraw/zinc/73/06/04/358730604.db2.gz NNCQWGNIOGCEQZ-INIZCTEOSA-N 0 3 273.380 1.916 40 0 CDABHN CCc1cccc2cc(CNCCOC)c(=O)[nH]c21 ZINC000013998562 358827296 /nfs/dbraw/zinc/82/72/96/358827296.db2.gz CDOBBIPGYZXVHF-UHFFFAOYSA-N 0 3 260.337 1.827 40 0 CDABHN C[C@@H]1CN([C@H](CN)c2ccccc2F)C[C@H](C)O1 ZINC000019271909 358894431 /nfs/dbraw/zinc/89/44/31/358894431.db2.gz BINUIMUTYHIZNB-UHIISALHSA-N 0 3 252.333 1.935 40 0 CDABHN COc1cccc(OC)c1OC[C@H](O)CN1CCCCC1 ZINC000000166971 364091472 /nfs/dbraw/zinc/09/14/72/364091472.db2.gz RRVVQGHHKMQNRC-CYBMUJFWSA-N 0 3 295.379 1.929 40 0 CDABHN CCOC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218250054 365019412 /nfs/dbraw/zinc/01/94/12/365019412.db2.gz ARXKOCAAFLCZJU-ILXRZTDVSA-N 0 3 297.420 1.487 40 0 CDABHN CCNc1ncc(CNC[C@@H](O)c2ccccc2)cn1 ZINC000062717548 374167456 /nfs/dbraw/zinc/16/74/56/374167456.db2.gz YHDSOXZHKCHIJM-CQSZACIVSA-N 0 3 272.352 1.732 40 0 CDABHN CN1C[C@H](C(N)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000027726883 374261641 /nfs/dbraw/zinc/26/16/41/374261641.db2.gz OEVHDXFBOKGRLN-MPKXVKKWSA-N 0 3 269.348 1.613 40 0 CDABHN C[C@@H](Cc1ccccc1)CN1CC[C@H](NS(C)(=O)=O)C1 ZINC000132381133 375467574 /nfs/dbraw/zinc/46/75/74/375467574.db2.gz UZYGOQULALXDEG-ZFWWWQNUSA-N 0 3 296.436 1.489 40 0 CDABHN COCCNCCNC(=O)c1ccc(F)c(F)c1F ZINC000212765881 375479716 /nfs/dbraw/zinc/47/97/16/375479716.db2.gz MLMIVLPQQDDLLN-UHFFFAOYSA-N 0 3 276.258 1.070 40 0 CDABHN Cc1c(CN2CCC[C@H](c3ccncn3)C2)cnn1C ZINC000257336608 190036505 /nfs/dbraw/zinc/03/65/05/190036505.db2.gz YPEUMEWRLKIDQB-ZDUSSCGKSA-N 0 3 271.368 1.898 40 0 CDABHN CN1CCC[C@@]2(C1)CN(Cc1ccccn1)CCO2 ZINC000063527610 378303762 /nfs/dbraw/zinc/30/37/62/378303762.db2.gz WEBPVNWBWXWIQU-OAHLLOKOSA-N 0 3 261.369 1.378 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c1OC ZINC000036101356 390480090 /nfs/dbraw/zinc/48/00/90/390480090.db2.gz SUUAHXZFOMJMML-BZPMIXESSA-N 0 3 294.395 1.813 40 0 CDABHN COc1ccc([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000036101359 390480357 /nfs/dbraw/zinc/48/03/57/390480357.db2.gz HUYPIKDZTWEIMM-JMSVASOKSA-N 0 3 294.395 1.813 40 0 CDABHN C[C@H](N)C(=O)NCc1nc(-c2ccccc2Cl)no1 ZINC000072220518 390622318 /nfs/dbraw/zinc/62/23/18/390622318.db2.gz MRGYRZNRDPZBJS-ZETCQYMHSA-N 0 3 280.715 1.353 40 0 CDABHN CC(C)N1CCC[C@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257201630 391648076 /nfs/dbraw/zinc/64/80/76/391648076.db2.gz AIJJMDDWDAXBPX-LBPRGKRZSA-N 0 3 276.340 1.979 40 0 CDABHN Cc1cc(N)cc([C@H]2CN(c3nc(C)cc(C)n3)CCO2)n1 ZINC000257335001 392978337 /nfs/dbraw/zinc/97/83/37/392978337.db2.gz YIGIMYIDCXJDDF-OAHLLOKOSA-N 0 3 299.378 1.957 40 0 CDABHN CCOCC(=O)N1CCC[C@@H]2N(C)CCC[C@@]21C ZINC000257223761 286022360 /nfs/dbraw/zinc/02/23/60/286022360.db2.gz DYRYMZSEASKURQ-JSGCOSHPSA-N 0 3 254.374 1.498 40 0 CDABHN CCNCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000008648957 170343800 /nfs/dbraw/zinc/34/38/00/170343800.db2.gz GIXWJZGUDCGGSS-UHFFFAOYSA-N 0 3 263.366 1.973 40 0 CDABHN Cn1ncc(C(=O)N2CCCN(CC3CC3)CC2)c1Cl ZINC000072254257 176350842 /nfs/dbraw/zinc/35/08/42/176350842.db2.gz IUFHQQKVHQKREA-UHFFFAOYSA-N 0 3 296.802 1.631 40 0 CDABHN CNc1ccc(C[C@@H]2CCCN(Cc3cnc[nH]3)C2)nn1 ZINC000072387287 176392717 /nfs/dbraw/zinc/39/27/17/176392717.db2.gz SPTTYAJDDNAUEI-LBPRGKRZSA-N 0 3 286.383 1.696 40 0 CDABHN O=C(NCC1CCN(CCO)CC1)OCc1ccccc1 ZINC000079410915 177483043 /nfs/dbraw/zinc/48/30/43/177483043.db2.gz DDQROTLZLPAJLD-UHFFFAOYSA-N 0 3 292.379 1.617 40 0 CDABHN CNc1cncc([C@@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257277531 277303396 /nfs/dbraw/zinc/30/33/96/277303396.db2.gz NYHNGUPWMBRFJY-ZDUSSCGKSA-N 0 3 292.383 1.197 40 0 CDABHN CN(C)C[C@H]1COCCN1C(=O)Cc1ccccc1 ZINC000085469994 289218707 /nfs/dbraw/zinc/21/87/07/289218707.db2.gz WRYAQJYUBFKPTK-AWEZNQCLSA-N 0 3 262.353 1.018 40 0 CDABHN COCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053908 185076684 /nfs/dbraw/zinc/07/66/84/185076684.db2.gz WIDKRHFQVQDGDN-KBPBESRZSA-N 0 3 292.354 1.362 40 0 CDABHN Cn1cc2c(n1)[C@H](CNCc1ccsc1)OCC2 ZINC000096059676 185080087 /nfs/dbraw/zinc/08/00/87/185080087.db2.gz XZMSNZYAKQCHOU-LBPRGKRZSA-N 0 3 263.366 1.885 40 0 CDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)cn1 ZINC000096108713 185099492 /nfs/dbraw/zinc/09/94/92/185099492.db2.gz MBDOHTKNIKWYND-HZPDHXFCSA-N 0 3 291.395 1.295 40 0 CDABHN O=C(C1CCC1)N1Cc2cncn2[C@H](CN2CCCC2)C1 ZINC000247832334 362133439 /nfs/dbraw/zinc/13/34/39/362133439.db2.gz LMTUYZOUNOHEGI-OAHLLOKOSA-N 0 3 288.395 1.662 40 0 CDABHN Cc1ccc(Cc2nsc(N3CCNCC3)n2)cc1 ZINC000035761102 343406395 /nfs/dbraw/zinc/40/63/95/343406395.db2.gz ABJNMXHNLHYSLS-UHFFFAOYSA-N 0 3 274.393 1.847 40 0 CDABHN Cc1ccc(CSCC(=O)NCCN(C)C)cc1 ZINC000010111501 348734291 /nfs/dbraw/zinc/73/42/91/348734291.db2.gz GSWQKFANNDBSDI-UHFFFAOYSA-N 0 3 266.410 1.906 40 0 CDABHN COc1cc(CNC(C)C)c(Cl)cc1OCC(N)=O ZINC000036612925 356409000 /nfs/dbraw/zinc/40/90/00/356409000.db2.gz KRGYANGKHMRWMU-UHFFFAOYSA-N 0 3 286.759 1.711 40 0 CDABHN CN1[C@H]2C[C@@H]1CC(COC(=O)[C@@H](CO)c1ccccc1)C2 ZINC000021983982 356594064 /nfs/dbraw/zinc/59/40/64/356594064.db2.gz PQJCHUMCSYRJAF-WDVRLDOZSA-N 0 3 289.375 1.788 40 0 CDABHN CC(C)N1C[C@@H](N(C)Cc2cncnc2)[C@@H]2OCCC[C@@H]21 ZINC000096186924 358714982 /nfs/dbraw/zinc/71/49/82/358714982.db2.gz QREBMZCTYUAFMH-ARFHVFGLSA-N 0 3 290.411 1.549 40 0 CDABHN COCCN1CC[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 ZINC000096246094 358725626 /nfs/dbraw/zinc/72/56/26/358725626.db2.gz HQBCKPZUXHESGC-GXTWGEPZSA-N 0 3 294.420 1.788 40 0 CDABHN CSc1nc(Cl)cc(N2CCN[C@@H](C)C2)n1 ZINC000072203132 359048190 /nfs/dbraw/zinc/04/81/90/359048190.db2.gz NBDWGVJEIIFSPF-ZETCQYMHSA-N 0 3 258.778 1.650 40 0 CDABHN CC[C@@H](CO)N1CCN(CCC(F)(F)F)CC1 ZINC000075961320 366938266 /nfs/dbraw/zinc/93/82/66/366938266.db2.gz FZDXZKXLZIBLRD-JTQLQIEISA-N 0 3 254.296 1.327 40 0 CDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccccc2F)C1 ZINC000257233277 190017416 /nfs/dbraw/zinc/01/74/16/190017416.db2.gz GOOUWFMSILGMCA-AWEZNQCLSA-N 0 3 293.386 1.278 40 0 CDABHN C[C@@H](c1ccccc1)N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 ZINC000102774211 296235693 /nfs/dbraw/zinc/23/56/93/296235693.db2.gz VPTURGDGEBLVCX-DLOVCJGASA-N 0 3 296.417 1.897 40 0 CDABHN NCC(=O)N1CCO[C@@H](Cc2ccccc2Cl)C1 ZINC000257291274 190027561 /nfs/dbraw/zinc/02/75/61/190027561.db2.gz QGICOZBFAYTUKR-NSHDSACASA-N 0 3 268.744 1.069 40 0 CDABHN CN1CCC[C@@H](c2cccc(N3CCOC3=O)n2)C1 ZINC000257300542 190029162 /nfs/dbraw/zinc/02/91/62/190029162.db2.gz RURBJGPKDXTDQP-LLVKDONJSA-N 0 3 261.325 1.847 40 0 CDABHN CNC(=O)c1c[nH]nc1[C@H]1CCN(CCc2ccccc2)C1 ZINC000257304080 190030285 /nfs/dbraw/zinc/03/02/85/190030285.db2.gz SJZGJRKSCZIQHN-AWEZNQCLSA-N 0 3 298.390 1.801 40 0 CDABHN CCN(CC)C(=O)[C@@H]1CCCN1[C@H](CN)C(F)(F)F ZINC000242390314 256699453 /nfs/dbraw/zinc/69/94/53/256699453.db2.gz AKCHINCQNYUUKT-VHSXEESVSA-N 0 3 281.322 1.209 40 0 CDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC000079409626 390421425 /nfs/dbraw/zinc/42/14/25/390421425.db2.gz KZEPYOWDSSZRPE-TUAOUCFPSA-N 0 3 299.415 1.628 40 0 CDABHN CC(C)N(C)Cc1nnc2n1CCN(CC1CC1)CC2 ZINC000096058960 390912453 /nfs/dbraw/zinc/91/24/53/390912453.db2.gz HKNZOECKHOEOSN-UHFFFAOYSA-N 0 3 277.416 1.386 40 0 CDABHN CNc1ncc(CNCCCOc2ccccn2)cn1 ZINC000062717499 391570720 /nfs/dbraw/zinc/57/07/20/391570720.db2.gz UZOBANWCHSCJNV-UHFFFAOYSA-N 0 3 273.340 1.472 40 0 CDABHN COc1ccc(OC)c([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022162136 171364236 /nfs/dbraw/zinc/36/42/36/171364236.db2.gz QTTXXVGVYBTEEU-HUBLWGQQSA-N 0 3 294.395 1.813 40 0 CDABHN COCCNc1cncc(C2CCN(C)CC2)n1 ZINC000072386651 176392303 /nfs/dbraw/zinc/39/23/03/176392303.db2.gz SVAYSFGZYCXTEI-UHFFFAOYSA-N 0 3 250.346 1.344 40 0 CDABHN Cc1cnc(C[C@H]2COCCN(C3CCOCC3)C2)cn1 ZINC000072388207 176393218 /nfs/dbraw/zinc/39/32/18/176393218.db2.gz VTYKYRBEUYOQCE-CQSZACIVSA-N 0 3 291.395 1.455 40 0 CDABHN O=C1N(Cc2ccccn2)C[C@H]2CN(CC3CC3)CCN12 ZINC000077266622 177247206 /nfs/dbraw/zinc/24/72/06/177247206.db2.gz XWPMBVAJRSRUSQ-OAHLLOKOSA-N 0 3 286.379 1.413 40 0 biogenic,in-vitro CDABHN CC(C)(C)OC(=O)N1CCC(N(C(=O)CN)C2CC2)CC1 ZINC000079391149 278381996 /nfs/dbraw/zinc/38/19/96/278381996.db2.gz DTANVPPHUWFWTL-UHFFFAOYSA-N 0 3 297.399 1.336 40 0 CDABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079409762 279299721 /nfs/dbraw/zinc/29/97/21/279299721.db2.gz HEECPVABHSXKGM-NWDGAFQWSA-N 0 3 299.415 1.580 40 0 CDABHN NC(=O)C[C@H]1COCCN1CC1CCC2(CC2)CC1 ZINC000930674327 797903333 /nfs/dbraw/zinc/90/33/33/797903333.db2.gz DTDJFSDKSBZOIK-ZDUSSCGKSA-N 0 3 266.385 1.533 40 0 CDABHN COc1ccc([C@@H](N)c2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000095533739 185006880 /nfs/dbraw/zinc/00/68/80/185006880.db2.gz PYWSDXLDABYWSV-VXGBXAGGSA-N 0 3 274.324 1.713 40 0 CDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052271 185074248 /nfs/dbraw/zinc/07/42/48/185074248.db2.gz GDBFNEDONSWOJO-HOTGVXAUSA-N 0 3 294.395 1.591 40 0 CDABHN CC[C@@H]1N(Cc2cnn(C)c2)CCC[C@]12CCC(=O)N2C ZINC000096052414 185074270 /nfs/dbraw/zinc/07/42/70/185074270.db2.gz ZSTUPOBRPUCELI-HOCLYGCPSA-N 0 3 290.411 1.786 40 0 CDABHN CCN1CCOC[C@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049619 185074348 /nfs/dbraw/zinc/07/43/48/185074348.db2.gz OJDATRLHGICDDT-CQSZACIVSA-N 0 3 269.389 1.102 40 0 CDABHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3C)cc1 ZINC000096056468 185077478 /nfs/dbraw/zinc/07/74/78/185077478.db2.gz VQVFBLKROCQKCA-HUUCEWRRSA-N 0 3 274.364 1.890 40 0 CDABHN c1ncc(O[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)cn1 ZINC000096055018 185075371 /nfs/dbraw/zinc/07/53/71/185075371.db2.gz GIZHOTULGCNHQK-KBPBESRZSA-N 0 3 274.368 1.024 40 0 CDABHN O[C@H]1CCN(Cc2cccnc2)[C@H]1Cc1cccnc1 ZINC000096061636 185083259 /nfs/dbraw/zinc/08/32/59/185083259.db2.gz ATXROFQFGGILTE-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN COCCN1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC000096072449 185088273 /nfs/dbraw/zinc/08/82/73/185088273.db2.gz QFUGTLDKZSMHCV-LSDHHAIUSA-N 0 3 278.352 1.340 40 0 CDABHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C)[C@H]2C1 ZINC000107260295 186164094 /nfs/dbraw/zinc/16/40/94/186164094.db2.gz DVLZWPLMKDAPIO-JKSUJKDBSA-N 0 3 258.365 1.881 40 0 CDABHN CN1CC[C@@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108527018 186220660 /nfs/dbraw/zinc/22/06/60/186220660.db2.gz YVVZNSXPLHKVFO-MRXNPFEDSA-N 0 3 273.380 1.916 40 0 CDABHN C[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391198 356988545 /nfs/dbraw/zinc/98/85/45/356988545.db2.gz AJNBCMCHPDRBQB-QWRGUYRKSA-N 0 3 285.388 1.097 40 0 CDABHN CC(=O)N(C[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1)C1CC1 ZINC000079418116 356994885 /nfs/dbraw/zinc/99/48/85/356994885.db2.gz IAYOPOCIUJYPMQ-HIFRSBDPSA-N 0 3 295.427 1.219 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C(C)C)[C@H](C)c1cnccn1 ZINC000079435836 356996236 /nfs/dbraw/zinc/99/62/36/356996236.db2.gz NMPTVPDYMDUJQB-YPMHNXCESA-N 0 3 264.373 1.758 40 0 CDABHN N[C@@H](Cc1ccccc1)C(=O)NCc1cccs1 ZINC000057399765 357356399 /nfs/dbraw/zinc/35/63/99/357356399.db2.gz UBSZPRMSBCSQRU-ZDUSSCGKSA-N 0 3 260.362 1.934 40 0 CDABHN CNc1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)ccn1 ZINC000019655620 358103348 /nfs/dbraw/zinc/10/33/48/358103348.db2.gz WRAFBVSMYFXTTA-CQSZACIVSA-N 0 3 288.395 1.824 40 0 CDABHN CN(C)C(=O)CN1CCC2(CN(Cc3cccs3)C2)C1 ZINC000096202645 358719560 /nfs/dbraw/zinc/71/95/60/358719560.db2.gz XACKOPXGCOXOJD-UHFFFAOYSA-N 0 3 293.436 1.344 40 0 CDABHN CN1CCCC[C@@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217575 358722249 /nfs/dbraw/zinc/72/22/49/358722249.db2.gz NJGQINXDKCLCIB-HNNXBMFYSA-N 0 3 274.368 1.567 40 0 CDABHN Cc1ccc(CN2CC3(C2)CO[C@H](CN(C)C)C3)o1 ZINC000096239515 358724413 /nfs/dbraw/zinc/72/44/13/358724413.db2.gz LCUYQSYQUUHIKU-AWEZNQCLSA-N 0 3 264.369 1.741 40 0 CDABHN O=C(Nc1cccc(F)c1)C1=NO[C@]2(C1)CCCNC2 ZINC000096268884 358730336 /nfs/dbraw/zinc/73/03/36/358730336.db2.gz YOQACHAWBQDFJV-AWEZNQCLSA-N 0 3 277.299 1.663 40 0 CDABHN CN(C)CCNc1nn2cnnc2c2ccccc21 ZINC000027913272 358904203 /nfs/dbraw/zinc/90/42/03/358904203.db2.gz WUPGIIYPFMCWKF-UHFFFAOYSA-N 0 3 256.313 1.251 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000037028193 367279595 /nfs/dbraw/zinc/27/95/95/367279595.db2.gz XKZKAPZLJSQVNX-CABCVRRESA-N 0 3 275.396 1.360 40 0 CDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@]1(CN)COC ZINC000218417306 367911313 /nfs/dbraw/zinc/91/13/13/367911313.db2.gz JYQUWIOREHRYDE-RBSFLKMASA-N 0 3 297.420 1.487 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079409694 284193325 /nfs/dbraw/zinc/19/33/25/284193325.db2.gz HCRBRIGZWZATCV-NWDGAFQWSA-N 0 3 299.415 1.582 40 0 CDABHN CN[C@H](CN)c1cc(Br)ccc1OC ZINC000050269945 373066890 /nfs/dbraw/zinc/06/68/90/373066890.db2.gz JELDZDUBCPGZNM-SECBINFHSA-N 0 3 259.147 1.677 40 0 CDABHN CN(C[C@H](O)CC1CCCC1)[C@@H]1CCCCNC1=O ZINC000225596881 374926739 /nfs/dbraw/zinc/92/67/39/374926739.db2.gz WMZNYJLIVXECMH-ZIAGYGMSSA-N 0 3 268.401 1.528 40 0 CDABHN COc1ccc(NC(=O)C2=NO[C@@]3(C2)CCCNC3)cc1 ZINC000306136918 374970135 /nfs/dbraw/zinc/97/01/35/374970135.db2.gz QGUFBOUYYOUAEZ-OAHLLOKOSA-N 0 3 289.335 1.532 40 0 CDABHN COc1ccccc1[C@H]1CNCCN1Cc1cnc(C)nc1 ZINC000257229511 190016441 /nfs/dbraw/zinc/01/64/41/190016441.db2.gz FYJHERJMUVVALL-MRXNPFEDSA-N 0 3 298.390 1.940 40 0 CDABHN COCCN1CCC[C@H](c2nccnc2-c2cc[nH]n2)C1 ZINC000257273741 190024381 /nfs/dbraw/zinc/02/43/81/190024381.db2.gz NIAIPFNEZUXILD-LBPRGKRZSA-N 0 3 287.367 1.693 40 0 CDABHN NCC(=O)N1CCO[C@H](Cc2ccccc2Cl)C1 ZINC000257291273 190027934 /nfs/dbraw/zinc/02/79/34/190027934.db2.gz QGICOZBFAYTUKR-LLVKDONJSA-N 0 3 268.744 1.069 40 0 CDABHN Cc1ccc(CC(=O)N2CC[C@@](O)(CN(C)C)C2)s1 ZINC000257305975 190031313 /nfs/dbraw/zinc/03/13/13/190031313.db2.gz SSHZYBSGOZJVDF-CQSZACIVSA-N 0 3 282.409 1.124 40 0 CDABHN Cc1cnc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)cn1 ZINC000257316004 190032845 /nfs/dbraw/zinc/03/28/45/190032845.db2.gz VDSABRWOPSGTQP-HOCLYGCPSA-N 0 3 288.395 1.874 40 0 CDABHN c1ccc([C@@H]2CNCCN2Cc2cncnc2)cc1 ZINC000257334252 190035553 /nfs/dbraw/zinc/03/55/53/190035553.db2.gz YFEAANBNQCMXGT-HNNXBMFYSA-N 0 3 254.337 1.623 40 0 CDABHN Cc1cc(C)nc([C@@H]2CCN(Cc3cnc[nH]3)C2)n1 ZINC000257332809 190035802 /nfs/dbraw/zinc/03/58/02/190035802.db2.gz XYSZBIDIVHOUOO-GFCCVEGCSA-N 0 3 257.341 1.806 40 0 CDABHN CNc1ncc(CNC[C@H](O)c2ccccc2)cn1 ZINC000062717461 256722239 /nfs/dbraw/zinc/72/22/39/256722239.db2.gz ZACUPBUBEZZNGT-ZDUSSCGKSA-N 0 3 258.325 1.342 40 0 CDABHN CCCCCCN(C)C12CN3CN(CN(C3)C1)C2 ZINC000019319038 390226269 /nfs/dbraw/zinc/22/62/69/390226269.db2.gz GLVQWYHONYFDHR-UHFFFAOYSA-N 0 3 252.406 1.057 40 0 CDABHN CO[C@@H]1Cn2cccc2CN(C2CCOCC2)C1 ZINC000247917661 391423291 /nfs/dbraw/zinc/42/32/91/391423291.db2.gz ZPZJWMRQJRONOB-CQSZACIVSA-N 0 3 250.342 1.498 40 0 CDABHN OCCOc1cccc(CN2CC[C@H](c3cc[nH]n3)C2)c1 ZINC000257322781 391649583 /nfs/dbraw/zinc/64/95/83/391649583.db2.gz WHJLDMREONBYKA-AWEZNQCLSA-N 0 3 287.363 1.770 40 0 CDABHN CC(C)N1CCC[C@@H]1c1cncc(N2CCOC2=O)n1 ZINC000257301942 391649797 /nfs/dbraw/zinc/64/97/97/391649797.db2.gz SARKJDZUQGKMOO-GFCCVEGCSA-N 0 3 276.340 1.979 40 0 CDABHN COC(=O)[C@H]1CN(C)C[C@H]1c1ccc2c(c1)OCO2 ZINC000242687315 391944986 /nfs/dbraw/zinc/94/49/86/391944986.db2.gz UEVQFQHLXDQCMU-QWRGUYRKSA-N 0 3 263.293 1.234 40 0 CDABHN COc1cccc([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1OC ZINC000022161722 171364186 /nfs/dbraw/zinc/36/41/86/171364186.db2.gz SUUAHXZFOMJMML-OBJOEFQTSA-N 0 3 294.395 1.813 40 0 CDABHN O=c1[nH]c2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000057529637 175597704 /nfs/dbraw/zinc/59/77/04/175597704.db2.gz TYYYNIGPHYCEDH-UHFFFAOYSA-N 0 3 287.363 1.566 40 0 CDABHN COc1ccc(Cl)c2c(=O)c3c(n(C)c12)CCNC3 ZINC000072221280 176343362 /nfs/dbraw/zinc/34/33/62/176343362.db2.gz SBFULOTZHWQIQV-UHFFFAOYSA-N 0 3 278.739 1.846 40 0 CDABHN CN1CCC[C@H](Cc2cc(Nc3cnccn3)ncn2)C1 ZINC000072383486 176389062 /nfs/dbraw/zinc/38/90/62/176389062.db2.gz CODUKAZUXXQVIE-GFCCVEGCSA-N 0 3 284.367 1.895 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1F ZINC000072397631 176394820 /nfs/dbraw/zinc/39/48/20/176394820.db2.gz NATSZFVMWUSTQR-KWCYVHTRSA-N 0 3 264.344 1.465 40 0 CDABHN CCN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000242750307 261267093 /nfs/dbraw/zinc/26/70/93/261267093.db2.gz ZLAJKWRSAPSCLK-HAQNSBGRSA-N 0 3 299.415 1.630 40 0 CDABHN CCCN1C[C@@H]2[C@@H](C1)N(CC1CC1)C(=O)c1cccn12 ZINC000306141445 276263953 /nfs/dbraw/zinc/26/39/53/276263953.db2.gz VWKUIKSVVUPRLY-HUUCEWRRSA-N 0 3 273.380 1.989 40 0 CDABHN CCOC(=O)[C@@H]1CN(C)C[C@]12CCc1ccccc1C2=O ZINC000019530643 276288714 /nfs/dbraw/zinc/28/87/14/276288714.db2.gz UCQMGPBIXUFQID-WMLDXEAASA-N 0 3 287.359 1.927 40 0 CDABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391323 289762705 /nfs/dbraw/zinc/76/27/05/289762705.db2.gz ZDGXSFIRLVNPKM-CMPLNLGQSA-N 0 3 297.399 1.334 40 0 CDABHN CC(C)N1CCN(CCc2ccccc2)C[C@H]1C(N)=O ZINC000247974627 334292587 /nfs/dbraw/zinc/29/25/87/334292587.db2.gz FITFINWTRXQKFB-HNNXBMFYSA-N 0 3 275.396 1.109 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)COCCN3C)o1 ZINC000096048902 185073502 /nfs/dbraw/zinc/07/35/02/185073502.db2.gz BSIKKODQWMQTPH-UHFFFAOYSA-N 0 3 264.369 1.885 40 0 CDABHN Cn1ccc(C(=O)N2CC[C@]3(CCN3CC3CC3)C2)n1 ZINC000096075993 185089474 /nfs/dbraw/zinc/08/94/74/185089474.db2.gz JPDXZLZSIYCSJI-HNNXBMFYSA-N 0 3 274.368 1.121 40 0 CDABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC000585104383 342212930 /nfs/dbraw/zinc/21/29/30/342212930.db2.gz LNPXPFJIIOKYOC-QGZVFWFLSA-N 0 3 288.391 1.676 40 0 CDABHN CONC(=O)NC[C@@]1(C)CCCN1Cc1ccccc1 ZINC000157421355 342221426 /nfs/dbraw/zinc/22/14/26/342221426.db2.gz UURWMCKUXPWKNP-OAHLLOKOSA-N 0 3 277.368 1.902 40 0 CDABHN CCCCc1ccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C)cc1 ZINC000585295110 342260693 /nfs/dbraw/zinc/26/06/93/342260693.db2.gz MAWHZKVJFGHNDO-NKKGCODLSA-N 0 3 293.407 1.316 40 0 CDABHN CCn1cc(CN2CCC[C@@]2(COC)CC(=O)NC)cn1 ZINC000585279533 342256960 /nfs/dbraw/zinc/25/69/60/342256960.db2.gz ZWSGMIXHWPRIFW-HNNXBMFYSA-N 0 3 294.399 1.020 40 0 CDABHN CCOc1ccccc1OCC(=O)N[C@H]1CCCN(C)C1 ZINC000079065152 362157690 /nfs/dbraw/zinc/15/76/90/362157690.db2.gz UGQXXJQKZNJKFQ-ZDUSSCGKSA-N 0 3 292.379 1.675 40 0 CDABHN COc1ccc(S(=O)(=O)N2CC(NCC3CC3)C2)cc1 ZINC000154597126 188152678 /nfs/dbraw/zinc/15/26/78/188152678.db2.gz HRIZBTYWSRXCKX-UHFFFAOYSA-N 0 3 296.392 1.068 40 0 CDABHN CCCC[NH+](CCCC)CCOc1c[nH]c(=O)[n-]c1=O ZINC000001670179 355945810 /nfs/dbraw/zinc/94/58/10/355945810.db2.gz MHWTYIWXHPYQSL-UHFFFAOYSA-N 0 3 283.372 1.344 40 0 CDABHN Cc1nn(CC(=O)NCCN2CCCC[C@H]2C)c(C)c1C ZINC000019556632 356491351 /nfs/dbraw/zinc/49/13/51/356491351.db2.gz CAOJHVDZUKBXBZ-GFCCVEGCSA-N 0 3 292.427 1.799 40 0 CDABHN O=C(NCCNc1ccccn1)c1[nH]nc2c1CCC2 ZINC000019402166 356484352 /nfs/dbraw/zinc/48/43/52/356484352.db2.gz TXEUYCHEQQXUTK-UHFFFAOYSA-N 0 3 271.324 1.135 40 0 CDABHN CCN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079390854 356988201 /nfs/dbraw/zinc/98/82/01/356988201.db2.gz ANOXUUNEAADVOD-NSHDSACASA-N 0 3 285.388 1.051 40 0 CDABHN CCN(C(=O)CN)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079390875 356988688 /nfs/dbraw/zinc/98/86/88/356988688.db2.gz ZLAJKWRSAPSCLK-UHFFFAOYSA-N 0 3 299.415 1.630 40 0 CDABHN COc1cccc(CN(C(=O)[C@H](C)N)C(C)C)c1 ZINC000079420930 356996767 /nfs/dbraw/zinc/99/67/67/356996767.db2.gz CVSFHDFRXPKIRO-NSHDSACASA-N 0 3 250.342 1.779 40 0 CDABHN COc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1OC ZINC000027932414 357945999 /nfs/dbraw/zinc/94/59/99/357945999.db2.gz QVEXLZPLUKRTBR-CYBMUJFWSA-N 0 3 290.363 1.624 40 0 CDABHN CCCN1CCCn2nnc(CNc3cccnc3)c2C1 ZINC000096259504 358728406 /nfs/dbraw/zinc/72/84/06/358728406.db2.gz OVBBECZXXXAUCQ-UHFFFAOYSA-N 0 3 286.383 1.901 40 0 CDABHN CN1CCC[C@@]2(C1)CN(C(=O)c1ccncc1)CCO2 ZINC000096268586 358730829 /nfs/dbraw/zinc/73/08/29/358730829.db2.gz IAMGLIMEOVXARE-OAHLLOKOSA-N 0 3 275.352 1.018 40 0 CDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2ccccn2)N1 ZINC000022238410 359048323 /nfs/dbraw/zinc/04/83/23/359048323.db2.gz JNWSIIDYUSTNHV-GFCCVEGCSA-N 0 3 292.302 1.079 40 0 CDABHN Cc1cc(C)cc(OCC(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000028227086 359327797 /nfs/dbraw/zinc/32/77/97/359327797.db2.gz LMXPPPBKNMJCBB-OAHLLOKOSA-N 0 3 288.391 1.989 40 0 CDABHN CC(=O)N[C@@H](C)C1CCN(CCO[C@@H]2CCCCO2)CC1 ZINC000225532327 375159924 /nfs/dbraw/zinc/15/99/24/375159924.db2.gz SMKHIKXPBQGXJM-XJKSGUPXSA-N 0 3 298.427 1.766 40 0 CDABHN Cc1nc(C(=O)NCC2CC2)cc([C@@H]2CCCN(C)C2)n1 ZINC000257246087 190019441 /nfs/dbraw/zinc/01/94/41/190019441.db2.gz ISKUTDXWYTYUBK-CYBMUJFWSA-N 0 3 288.395 1.734 40 0 CDABHN Cc1c[nH]nc1[C@H]1CCN(Cc2ccnc(C)n2)C1 ZINC000257288286 190027178 /nfs/dbraw/zinc/02/71/78/190027178.db2.gz PTPJVTAWHTZZPS-LBPRGKRZSA-N 0 3 257.341 1.806 40 0 CDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)C2(CN)CN)cc1 ZINC000218396209 375826942 /nfs/dbraw/zinc/82/69/42/375826942.db2.gz CNRMZWACIZSSRP-KGLIPLIRSA-N 0 3 296.436 1.053 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)/C=C/c2ccccc2F)C1 ZINC000257302797 190030590 /nfs/dbraw/zinc/03/05/90/190030590.db2.gz SELRVEDNSBAAST-WAVCKPEOSA-N 0 3 292.354 1.364 40 0 CDABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)N1CCOCC1 ZINC000008300449 376532963 /nfs/dbraw/zinc/53/29/63/376532963.db2.gz JXBKKSBXADXFDO-MELADBBJSA-N 0 3 281.400 1.149 40 0 biogenic,in-vitro CDABHN Cc1nc(N2CCOCC2)ccc1[C@H]1CCCN1C ZINC000072219611 390623312 /nfs/dbraw/zinc/62/33/12/390623312.db2.gz RRSZUXVQZFJHMW-CQSZACIVSA-N 0 3 261.369 1.993 40 0 CDABHN CCSc1ncc(CNC[C@H]2CCCO2)cn1 ZINC000062717293 391061415 /nfs/dbraw/zinc/06/14/15/391061415.db2.gz ZTJWOLONNWMFGO-LLVKDONJSA-N 0 3 253.371 1.857 40 0 CDABHN c1ncc(CN2CC[C@]3(CCN3c3ncccn3)C2)[nH]1 ZINC000096076138 398070375 /nfs/dbraw/zinc/07/03/75/398070375.db2.gz WXWXQIXRYBOLJK-AWEZNQCLSA-N 0 3 270.340 1.055 40 0 CDABHN COC[C@H]1CN(C)CCN(C(=O)Cc2ccccc2)C1 ZINC000072343696 176372242 /nfs/dbraw/zinc/37/22/42/176372242.db2.gz NHAOVMQJKVIVBN-HNNXBMFYSA-N 0 3 276.380 1.266 40 0 CDABHN OCCN1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360935 176376851 /nfs/dbraw/zinc/37/68/51/176376851.db2.gz ZEZYWSFBYKUCPO-ZDUSSCGKSA-N 0 3 299.378 1.787 40 0 CDABHN CC(=O)NCC[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072367995 176382379 /nfs/dbraw/zinc/38/23/79/176382379.db2.gz OLFSAZVBMYOZHI-CYBMUJFWSA-N 0 3 264.373 1.158 40 0 CDABHN Cn1ccnc1[C@]1(O)CCCN(Cc2ccncc2)CC1 ZINC000072369579 176384080 /nfs/dbraw/zinc/38/40/80/176384080.db2.gz RMIDSUKFMJRSGB-INIZCTEOSA-N 0 3 286.379 1.689 40 0 CDABHN Cc1cccc(CNC[C@H]2Cn3ccnc3CO2)n1 ZINC000096296277 265357069 /nfs/dbraw/zinc/35/70/69/265357069.db2.gz XLCNFJUACFELOM-ZDUSSCGKSA-N 0 3 258.325 1.275 40 0 biogenic,in-vitro CDABHN COc1cc(OC)c2nc(C)cc(N3CCNCC3)c2c1 ZINC000032500244 274098031 /nfs/dbraw/zinc/09/80/31/274098031.db2.gz XMTPUMACPHEISY-UHFFFAOYSA-N 0 3 287.363 1.970 40 0 CDABHN CCCCNCc1cnc(N2CCOCC2)nc1 ZINC000062717749 520692975 /nfs/dbraw/zinc/69/29/75/520692975.db2.gz SFXFTCHVWYWYLE-UHFFFAOYSA-N 0 3 250.346 1.203 40 0 CDABHN c1cncc(CO[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)c1 ZINC000096055049 185075604 /nfs/dbraw/zinc/07/56/04/185075604.db2.gz YRLXUVSHVKUPFH-DLBZAZTESA-N 0 3 287.407 1.767 40 0 CDABHN O[C@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccncc1 ZINC000096061652 185082880 /nfs/dbraw/zinc/08/28/80/185082880.db2.gz LKYGNOPGGRWKRL-HOTGVXAUSA-N 0 3 269.348 1.655 40 0 CDABHN CCN1CC[C@H]2C[C@H](C(=O)NCC3CCOCC3)O[C@@H]2C1 ZINC000096066100 185084733 /nfs/dbraw/zinc/08/47/33/185084733.db2.gz SVZMIOXENYKSNV-RRFJBIMHSA-N 0 3 296.411 1.029 40 0 CDABHN Cn1cc(CN2CC3(C2)CCN(Cc2cccnc2)C3)cn1 ZINC000096070824 185086932 /nfs/dbraw/zinc/08/69/32/185086932.db2.gz UJAMHDPVPXTRGK-UHFFFAOYSA-N 0 3 297.406 1.523 40 0 CDABHN CN1C[C@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H](C1)O2 ZINC000096100687 185098308 /nfs/dbraw/zinc/09/83/08/185098308.db2.gz SWAMBCKXIYUQGG-UHIISALHSA-N 0 3 290.319 1.073 40 0 CDABHN COC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096108623 185099465 /nfs/dbraw/zinc/09/94/65/185099465.db2.gz ZVDVQERGMIZXGZ-CZUORRHYSA-N 0 3 291.347 1.510 40 0 CDABHN O[C@]1(COc2cccc(F)c2)COCCN(C2CCC2)C1 ZINC000585284278 342258672 /nfs/dbraw/zinc/25/86/72/342258672.db2.gz WNZHHISZDTVASZ-INIZCTEOSA-N 0 3 295.354 1.820 40 0 CDABHN CCOCCn1cc(-c2nc(CN)cs2)cn1 ZINC000095093938 366091614 /nfs/dbraw/zinc/09/16/14/366091614.db2.gz ZPTGHNBSQWVFBG-UHFFFAOYSA-N 0 3 252.343 1.502 40 0 CDABHN CCN1CCCC[C@@H]1CNC(=O)c1cnn(C)c1C ZINC000019527292 356490366 /nfs/dbraw/zinc/49/03/66/356490366.db2.gz QGTJQCGDUVDFDI-GFCCVEGCSA-N 0 3 264.373 1.333 40 0 CDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391377 356988422 /nfs/dbraw/zinc/98/84/22/356988422.db2.gz PKWVRVJWVRKMRD-RYUDHWBXSA-N 0 3 299.415 1.485 40 0 CDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410052 356992066 /nfs/dbraw/zinc/99/20/66/356992066.db2.gz YCWRBRHMLYYZRA-NEPJUHHUSA-N 0 3 299.415 1.438 40 0 CDABHN CC(C)[C@H](N)C(=O)N(CC(=O)c1cccs1)C1CC1 ZINC000079436344 356996167 /nfs/dbraw/zinc/99/61/67/356996167.db2.gz RQJSGVSUKWTLQL-ZDUSSCGKSA-N 0 3 280.393 1.905 40 0 CDABHN Cc1ccc2cc(CNCCN(C)C)c(=O)[nH]c2c1 ZINC000019823980 358147054 /nfs/dbraw/zinc/14/70/54/358147054.db2.gz UADJWJFQOZPGMJ-UHFFFAOYSA-N 0 3 259.353 1.488 40 0 CDABHN Fc1cnc(N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)nc1 ZINC000096161483 358711011 /nfs/dbraw/zinc/71/10/11/358711011.db2.gz WTFFIZZWGRHAML-OKILXGFUSA-N 0 3 299.353 1.579 40 0 CDABHN CN(C)C(=O)C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1 ZINC000096206744 358720525 /nfs/dbraw/zinc/72/05/25/358720525.db2.gz NNDWKAJWDHAZII-MELADBBJSA-N 0 3 294.420 1.816 40 0 CDABHN O=C1CCC2(CCN(CCO)CC2)N1Cc1cccnc1 ZINC000096228316 358723590 /nfs/dbraw/zinc/72/35/90/358723590.db2.gz ONTULCIKZMMXKO-UHFFFAOYSA-N 0 3 289.379 1.031 40 0 CDABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(CCO)C[C@@H]12 ZINC000096251883 358727654 /nfs/dbraw/zinc/72/76/54/358727654.db2.gz XMCNVKJEWLXUPV-SJORKVTESA-N 0 3 288.391 1.243 40 0 CDABHN NC(=O)c1nc2c(s1)CCN(Cc1ccccc1)CC2 ZINC000096146995 283394639 /nfs/dbraw/zinc/39/46/39/283394639.db2.gz GBVIDBXFULRYKG-UHFFFAOYSA-N 0 3 287.388 1.843 40 0 CDABHN Cc1cccc(N2CC[C@@H](CN)S2(=O)=O)c1C ZINC000222540267 359353093 /nfs/dbraw/zinc/35/30/93/359353093.db2.gz FFBHQZSTGSPQKZ-NSHDSACASA-N 0 3 254.355 1.171 40 0 CDABHN CC1(C)CNCCN1C(=O)Cn1ccc(C(F)F)n1 ZINC000637856604 366549584 /nfs/dbraw/zinc/54/95/84/366549584.db2.gz FRGLDNLJAJLKTB-UHFFFAOYSA-N 0 3 272.299 1.031 40 0 CDABHN OC[C@H](NCCO[C@@H]1CCCCO1)c1ccsc1 ZINC000225532168 189756154 /nfs/dbraw/zinc/75/61/54/189756154.db2.gz PMJUCVRJFXGTKZ-QWHCGFSZSA-N 0 3 271.382 1.914 40 0 CDABHN O=S(=O)([N-][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1Cl ZINC000079440583 374407065 /nfs/dbraw/zinc/40/70/65/374407065.db2.gz PECIRGHATCDYHK-QMMMGPOBSA-N 0 3 295.191 1.634 40 0 CDABHN CCN(CC)CCNCc1c(C)nn(CC)c1F ZINC000256050679 190003307 /nfs/dbraw/zinc/00/33/07/190003307.db2.gz GCLGEKFJWWROJW-UHFFFAOYSA-N 0 3 256.369 1.782 40 0 CDABHN CCOCCCNCc1cn(C)nc1C(F)(F)F ZINC000256051455 190003484 /nfs/dbraw/zinc/00/34/84/190003484.db2.gz JGAUYOGSEXXQNY-UHFFFAOYSA-N 0 3 265.279 1.955 40 0 CDABHN CN(C)Cc1c[nH]c([C@@H]2CCN(Cc3cc[nH]n3)C2)n1 ZINC000257255487 190020876 /nfs/dbraw/zinc/02/08/76/190020876.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 0 3 274.372 1.184 40 0 CDABHN CN(C)Cc1cnc([C@@H]2CCN(Cc3cc[nH]n3)C2)[nH]1 ZINC000257255487 190020877 /nfs/dbraw/zinc/02/08/77/190020877.db2.gz KHRHORIWANITFK-LLVKDONJSA-N 0 3 274.372 1.184 40 0 CDABHN COCCN1CC2(C1)CO[C@@H](Cc1cccnc1)C2 ZINC000257279028 190025742 /nfs/dbraw/zinc/02/57/42/190025742.db2.gz OERPUPAAQNCIQM-AWEZNQCLSA-N 0 3 262.353 1.361 40 0 CDABHN O[C@H]1CCN(CCOc2ccccc2)C[C@@]12CCCO2 ZINC000257276694 190025801 /nfs/dbraw/zinc/02/58/01/190025801.db2.gz NUTOQIKVOYZIJA-HOTGVXAUSA-N 0 3 277.364 1.681 40 0 CDABHN CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cc1CO ZINC000257285482 190027373 /nfs/dbraw/zinc/02/73/73/190027373.db2.gz PHHXWZAJAGTCNB-FOLVSLTJSA-N 0 3 291.391 1.780 40 0 CDABHN O=C(c1ccccc1Br)N1CCCNCC1 ZINC000019679943 284713392 /nfs/dbraw/zinc/71/33/92/284713392.db2.gz ZIKWQWGMVZCBOT-UHFFFAOYSA-N 0 3 283.169 1.885 40 0 CDABHN O=C(NCC1CCN(c2ccncc2)CC1)C1CC1 ZINC000070928250 379510778 /nfs/dbraw/zinc/51/07/78/379510778.db2.gz HCOIPWDHOPOLFJ-UHFFFAOYSA-N 0 3 259.353 1.824 40 0 CDABHN CS(=O)(=O)NCc1ccccc1CN1CCCCC1 ZINC000048903847 390462797 /nfs/dbraw/zinc/46/27/97/390462797.db2.gz JDYXEPNVEMCVHE-UHFFFAOYSA-N 0 3 282.409 1.722 40 0 CDABHN C[C@@H](Oc1ncc(Br)cn1)[C@@H]1CCN(C)C1 ZINC000096515819 390532867 /nfs/dbraw/zinc/53/28/67/390532867.db2.gz ZRRRAEIZYIQRST-RKDXNWHRSA-N 0 3 286.173 1.958 40 0 CDABHN CCO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CCOCC1 ZINC000096057812 390912318 /nfs/dbraw/zinc/91/23/18/390912318.db2.gz CPMABKYVKSYOIO-RRFJBIMHSA-N 0 3 269.385 1.681 40 0 CDABHN CN(CCN1CCCCC1)C(=O)c1cnn2cccnc12 ZINC000019657749 170833913 /nfs/dbraw/zinc/83/39/13/170833913.db2.gz KWFFOUFJBIHMOU-UHFFFAOYSA-N 0 3 287.367 1.287 40 0 CDABHN CCN(CCC(=O)NC(N)=O)Cc1ccc(OC)c(F)c1 ZINC000044892003 175273237 /nfs/dbraw/zinc/27/32/37/175273237.db2.gz RINSZMPGPHQSKJ-UHFFFAOYSA-N 0 3 297.330 1.241 40 0 CDABHN CC(=O)N1C[C@@H]2CN(CC(C)C)CCN2C(C)(C)C1 ZINC000253401005 278071489 /nfs/dbraw/zinc/07/14/89/278071489.db2.gz MGVDQIYFJGIFMI-AWEZNQCLSA-N 0 3 267.417 1.269 40 0 biogenic,in-vitro CDABHN CC(C)(C)[C@H](N)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000040468061 278525989 /nfs/dbraw/zinc/52/59/89/278525989.db2.gz KIEBJMGMGMYFHN-QJPTWQEYSA-N 0 3 254.374 1.530 40 0 CDABHN Cc1cc(=NC(=O)N(C)C[C@H]2CCCN2C)[nH]n1C(C)C ZINC000333477935 280293633 /nfs/dbraw/zinc/29/36/33/280293633.db2.gz FFFHIEAVBDTJOH-CYBMUJFWSA-N 0 3 293.415 1.752 40 0 CDABHN C[C@H](SCc1ccccc1)C(=O)NCCN(C)C ZINC000010111503 230370777 /nfs/dbraw/zinc/37/07/77/230370777.db2.gz CMGYHKBXHSKRNA-LBPRGKRZSA-N 0 3 266.410 1.986 40 0 CDABHN Cc1ccc([C@H](N)c2nnc(Cn3cccn3)[nH]2)cc1 ZINC000095534124 185005593 /nfs/dbraw/zinc/00/55/93/185005593.db2.gz TXDKDFXUIFOKKJ-ZDUSSCGKSA-N 0 3 268.324 1.406 40 0 CDABHN O=C(c1ccco1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053809 185076592 /nfs/dbraw/zinc/07/65/92/185076592.db2.gz XMBFHTKSEWIBNU-ZIAGYGMSSA-N 0 3 297.358 1.879 40 0 CDABHN c1cn2c(n1)CNC[C@H](COCc1cccnc1)C2 ZINC000096059134 185079324 /nfs/dbraw/zinc/07/93/24/185079324.db2.gz MLLWBXZUICHFIT-ZDUSSCGKSA-N 0 3 258.325 1.214 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)o1 ZINC000096062228 185082359 /nfs/dbraw/zinc/08/23/59/185082359.db2.gz RPYRIVFSYXANBH-ZDUSSCGKSA-N 0 3 292.379 1.800 40 0 CDABHN O[C@H]1CCN(Cc2ccco2)[C@H]1Cc1cccnc1 ZINC000096061631 185082825 /nfs/dbraw/zinc/08/28/25/185082825.db2.gz VLXBMIWDEHXYOR-GJZGRUSLSA-N 0 3 258.321 1.853 40 0 CDABHN OCCN1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1 ZINC000096078141 185089813 /nfs/dbraw/zinc/08/98/13/185089813.db2.gz PSOFPTOYGIEJFX-CQSZACIVSA-N 0 3 297.349 1.611 40 0 CDABHN Cn1cc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)cn1 ZINC000096110640 185101599 /nfs/dbraw/zinc/10/15/99/185101599.db2.gz VYDAPYFRJOMATF-IYBDPMFKSA-N 0 3 297.406 1.379 40 0 CDABHN COCCN(C)C(=O)c1ccccc1-n1cnc(CN)c1 ZINC000257258702 362580950 /nfs/dbraw/zinc/58/09/50/362580950.db2.gz KVDNIQDBRHLJCL-UHFFFAOYSA-N 0 3 288.351 1.049 40 0 CDABHN Cc1cccc(CN2CC[C@@]3(C[C@H]3C(=O)N(C)C)C2)n1 ZINC000107235812 186163099 /nfs/dbraw/zinc/16/30/99/186163099.db2.gz SYWZZOGEMGYICF-GOEBONIOSA-N 0 3 273.380 1.690 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)CC[N@H+](Cc1cccs1)CC2 ZINC000019286451 356479845 /nfs/dbraw/zinc/47/98/45/356479845.db2.gz PXDGQNGZYAJYNM-UHFFFAOYSA-N 0 3 275.377 1.741 40 0 CDABHN Cc1nc2c(c(=O)[n-]1)CC[N@@H+](Cc1cccs1)CC2 ZINC000019286451 356479849 /nfs/dbraw/zinc/47/98/49/356479849.db2.gz PXDGQNGZYAJYNM-UHFFFAOYSA-N 0 3 275.377 1.741 40 0 CDABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391388 356988610 /nfs/dbraw/zinc/98/86/10/356988610.db2.gz QLVOFDRZIGLEMI-NEPJUHHUSA-N 0 3 299.415 1.438 40 0 CDABHN CCN(C[C@@H]1CCCN1Cc1ccccc1)C(=O)CN ZINC000079404186 356989561 /nfs/dbraw/zinc/98/95/61/356989561.db2.gz ZQGIHLJCGMEUGZ-HNNXBMFYSA-N 0 3 275.396 1.458 40 0 CDABHN O=C(C1CCC1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161510 358710996 /nfs/dbraw/zinc/71/09/96/358710996.db2.gz RIOWZQVPUPPJKY-IYBDPMFKSA-N 0 3 285.391 1.772 40 0 CDABHN CN1CCOCC2(CCN(C(=O)c3ccsc3)CC2)C1 ZINC000096239838 358724852 /nfs/dbraw/zinc/72/48/52/358724852.db2.gz YIQGETFAURHHNS-UHFFFAOYSA-N 0 3 294.420 1.933 40 0 CDABHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(CCO)C[C@H]12 ZINC000096251880 358727371 /nfs/dbraw/zinc/72/73/71/358727371.db2.gz XMCNVKJEWLXUPV-IRXDYDNUSA-N 0 3 288.391 1.243 40 0 CDABHN NC[C@H]1CCN(c2cccc(Cl)c2)S1(=O)=O ZINC000222543338 359352659 /nfs/dbraw/zinc/35/26/59/359352659.db2.gz VWCXBIKXUNZLIK-SNVBAGLBSA-N 0 3 260.746 1.207 40 0 CDABHN COCCCn1c(C)cc(CNCCOC)c1C ZINC000223661137 359444377 /nfs/dbraw/zinc/44/43/77/359444377.db2.gz GFVUYINIHYSWSO-UHFFFAOYSA-N 0 3 254.374 1.877 40 0 CDABHN C[C@H]1[C@@H](c2ccccc2)[N@H+](C)CC[C@]12NC(=O)[N-]C2=O ZINC000004011779 291291147 /nfs/dbraw/zinc/29/11/47/291291147.db2.gz FQTIIVLASVNVSP-WBIUFABUSA-N 0 3 273.336 1.278 40 0 CDABHN C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)CC[C@]12NC(=O)[N-]C2=O ZINC000004011779 291291150 /nfs/dbraw/zinc/29/11/50/291291150.db2.gz FQTIIVLASVNVSP-WBIUFABUSA-N 0 3 273.336 1.278 40 0 CDABHN CN1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 ZINC000253403516 373691965 /nfs/dbraw/zinc/69/19/65/373691965.db2.gz QAXCFSRDCDOOAK-GFCCVEGCSA-N 0 3 280.441 1.353 40 0 biogenic,in-vitro CDABHN COc1ccc(-n2cnc(C(=O)NCCN(C)C)c2)cc1 ZINC000226753446 375394614 /nfs/dbraw/zinc/39/46/14/375394614.db2.gz YVMRQSLRWYODMA-UHFFFAOYSA-N 0 3 288.351 1.172 40 0 CDABHN CN(C[C@@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527357 375663498 /nfs/dbraw/zinc/66/34/98/375663498.db2.gz QMNLGIHFPQRZGT-LLVKDONJSA-N 0 3 271.158 1.972 40 0 CDABHN CN1CCC(N2CCC[C@H]2c2ncc(C(N)=O)s2)CC1 ZINC000257205522 190011446 /nfs/dbraw/zinc/01/14/46/190011446.db2.gz AZLXRIQZOQHVOK-NSHDSACASA-N 0 3 294.424 1.473 40 0 CDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000257207960 190012560 /nfs/dbraw/zinc/01/25/60/190012560.db2.gz BKBRXZHZNGLLDB-MRXNPFEDSA-N 0 3 294.370 1.283 40 0 CDABHN CN(Cc1ccnc([C@H]2CCCO2)n1)C1CCOCC1 ZINC000257251291 190019896 /nfs/dbraw/zinc/01/98/96/190019896.db2.gz JQCZBSBOBRWAHS-CQSZACIVSA-N 0 3 277.368 1.939 40 0 CDABHN CN1CCc2c(COCC(=O)N3CCCC3)cncc2C1 ZINC000096189422 256817844 /nfs/dbraw/zinc/81/78/44/256817844.db2.gz XKZBAQWNDVUPDI-UHFFFAOYSA-N 0 3 289.379 1.209 40 0 CDABHN CN1C(=O)C(c2cccc(F)c2)=N[C@]12CCCNC2 ZINC000096516445 390534680 /nfs/dbraw/zinc/53/46/80/390534680.db2.gz HFMOAEQSGKXZRV-CQSZACIVSA-N 0 3 261.300 1.167 40 0 CDABHN COc1cccc(NCCc2nnc([C@H](C)N)[nH]2)c1 ZINC000095534660 390611555 /nfs/dbraw/zinc/61/15/55/390611555.db2.gz AKVVBPLFQBNCBS-VIFPVBQESA-N 0 3 261.329 1.488 40 0 CDABHN COc1cccc(NCCc2nc([C@H](C)N)n[nH]2)c1 ZINC000095534660 390611558 /nfs/dbraw/zinc/61/15/58/390611558.db2.gz AKVVBPLFQBNCBS-VIFPVBQESA-N 0 3 261.329 1.488 40 0 CDABHN CC(C)(O)CN1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000019368993 391320554 /nfs/dbraw/zinc/32/05/54/391320554.db2.gz LWMGQDUIUADEKP-OAHLLOKOSA-N 0 3 278.396 1.109 40 0 CDABHN CNc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717498 391571096 /nfs/dbraw/zinc/57/10/96/391571096.db2.gz JHYJDWABMIZDQC-UHFFFAOYSA-N 0 3 259.313 1.082 40 0 CDABHN CCO[C@@H]1C[C@@H](NC(=O)C(C)(C)N)C12CCCCC2 ZINC000236848983 286252562 /nfs/dbraw/zinc/25/25/62/286252562.db2.gz WKSIZXKTGFOYQY-VXGBXAGGSA-N 0 3 268.401 1.968 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2)C[C@@H](C)O1 ZINC000022168447 171366734 /nfs/dbraw/zinc/36/67/34/171366734.db2.gz KOSVWTNJZPXZKA-GYSYKLTISA-N 0 3 252.333 1.935 40 0 CDABHN CC(C)(O)CN1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000022595709 171393824 /nfs/dbraw/zinc/39/38/24/171393824.db2.gz LWMGQDUIUADEKP-HNNXBMFYSA-N 0 3 278.396 1.109 40 0 CDABHN CNC(=O)[C@]1(C)CCCN(Cc2cccnc2NC)C1 ZINC000072346332 176373241 /nfs/dbraw/zinc/37/32/41/176373241.db2.gz CIZJFBZLCSFQCQ-OAHLLOKOSA-N 0 3 276.384 1.471 40 0 CDABHN NC(=O)CN1CC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000072367887 176382613 /nfs/dbraw/zinc/38/26/13/176382613.db2.gz CJNWREWJJNPTSL-CYBMUJFWSA-N 0 3 269.348 1.585 40 0 CDABHN Cc1c[nH]nc1[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000072385603 176390358 /nfs/dbraw/zinc/39/03/58/176390358.db2.gz NTUCZJAXXRZHRA-CQSZACIVSA-N 0 3 290.411 1.766 40 0 CDABHN Cc1cn[nH]c1[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC000072385603 176390359 /nfs/dbraw/zinc/39/03/59/176390359.db2.gz NTUCZJAXXRZHRA-CQSZACIVSA-N 0 3 290.411 1.766 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C)C(=O)OC(C)(C)C ZINC000079409659 177481846 /nfs/dbraw/zinc/48/18/46/177481846.db2.gz KZEPYOWDSSZRPE-SDDRHHMPSA-N 0 3 299.415 1.628 40 0 CDABHN CCN(C(=O)CN)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079404181 276061076 /nfs/dbraw/zinc/06/10/76/276061076.db2.gz SLSGVCNCZMADIW-CQSZACIVSA-N 0 3 261.369 1.068 40 0 CDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000339470986 276371532 /nfs/dbraw/zinc/37/15/32/276371532.db2.gz KQWCSSHIRQMCBG-MJBXVCDLSA-N 0 3 295.427 1.282 40 0 CDABHN CC(C)(C)CC(=O)N1CCC2(CC1)CNCCO2 ZINC000096049031 277135886 /nfs/dbraw/zinc/13/58/86/277135886.db2.gz LKWKBDBEVJSTRR-UHFFFAOYSA-N 0 3 254.374 1.404 40 0 CDABHN COc1ccc2c(c1OC)OC[C@@H](CN(C)C)C2=O ZINC000003594232 277998437 /nfs/dbraw/zinc/99/84/37/277998437.db2.gz RRDYAYUAHOIMFI-SECBINFHSA-N 0 3 265.309 1.457 40 0 CDABHN COc1ccc(N2CC[C@H](CN)S2(=O)=O)cc1Cl ZINC000260781628 328069829 /nfs/dbraw/zinc/06/98/29/328069829.db2.gz UDRARBWWVNEJOG-SECBINFHSA-N 0 3 290.772 1.216 40 0 CDABHN c1cn(CCCNCc2cnc(N3CCCC3)nc2)cn1 ZINC000062717817 333176202 /nfs/dbraw/zinc/17/62/02/333176202.db2.gz KSAGKMRFNQEZRY-UHFFFAOYSA-N 0 3 286.383 1.453 40 0 CDABHN CN(C)C(=O)[C@@H]1CN(C)[C@H]2c3cc(F)ccc3OC[C@H]21 ZINC001772595571 1159316877 /nfs/dbraw/zinc/31/68/77/1159316877.db2.gz GTPPZYKRPORUSS-DYEKYZERSA-N 0 3 278.327 1.525 40 0 CDABHN Cn1cnc(C(=O)N2C[C@@H]3CCCN3Cc3ccccc32)n1 ZINC000291525762 534803496 /nfs/dbraw/zinc/80/34/96/534803496.db2.gz PKGOITWVHHTKQG-ZDUSSCGKSA-N 0 3 297.362 1.440 40 0 CDABHN CN1CCC(CC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000074921029 567903731 /nfs/dbraw/zinc/90/37/31/567903731.db2.gz OCHOBWDXAKOLSM-UHFFFAOYSA-N 0 3 275.352 1.456 40 0 CDABHN CN1CCC(C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000074713385 567903870 /nfs/dbraw/zinc/90/38/70/567903870.db2.gz COAHVVBIPLFKSD-UHFFFAOYSA-N 0 3 261.325 1.066 40 0 CDABHN CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000009993182 230370723 /nfs/dbraw/zinc/37/07/23/230370723.db2.gz BRAISOMHIOBEIK-UHFFFAOYSA-N 0 3 287.722 1.095 40 0 CDABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]cn3)C2=O)cc1 ZINC000105331266 230393725 /nfs/dbraw/zinc/39/37/25/230393725.db2.gz TTWFLOZHCSYQOB-CQSZACIVSA-N 0 3 298.346 1.182 40 0 CDABHN Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)C[C@H]32)s1 ZINC000096055568 185076633 /nfs/dbraw/zinc/07/66/33/185076633.db2.gz WMZREQQYNDYQMX-MCIONIFRSA-N 0 3 294.420 1.877 40 0 CDABHN Cc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)o1 ZINC000096062229 185082856 /nfs/dbraw/zinc/08/28/56/185082856.db2.gz RPYRIVFSYXANBH-CYBMUJFWSA-N 0 3 292.379 1.800 40 0 CDABHN O=C(N1CC[C@H]2[C@H]1CCN2CC1CC1)C1(F)CCC1 ZINC000585108103 342213303 /nfs/dbraw/zinc/21/33/03/342213303.db2.gz BQRMXTUIYZDLFV-QWHCGFSZSA-N 0 3 266.360 1.964 40 0 CDABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c1 ZINC000585103734 342212483 /nfs/dbraw/zinc/21/24/83/342212483.db2.gz FRRIFZSIHZZOKI-KRWDZBQOSA-N 0 3 288.391 1.676 40 0 CDABHN CNC(=N)c1cc2ccc(NC(C)=O)cc2oc1=O ZINC000255187806 362492425 /nfs/dbraw/zinc/49/24/25/362492425.db2.gz GVPXFYNAAONONW-UHFFFAOYSA-N 0 3 259.265 1.296 40 0 CDABHN CNc1cc(C)nc([C@H]2CN(c3ncccn3)CCO2)c1 ZINC000257293958 362584512 /nfs/dbraw/zinc/58/45/12/362584512.db2.gz QRVVVIWMNREPHR-CQSZACIVSA-N 0 3 285.351 1.800 40 0 CDABHN Cc1ccc(CNC(=O)C2=NO[C@@]3(C2)CCCNC3)cc1 ZINC000107067006 186158979 /nfs/dbraw/zinc/15/89/79/186158979.db2.gz JPNSYEDSTXZGCG-MRXNPFEDSA-N 0 3 287.363 1.510 40 0 CDABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccncc2)N1CC1CC1 ZINC000107800100 186191100 /nfs/dbraw/zinc/19/11/00/186191100.db2.gz KOYGPXBKSNQJAG-LSDHHAIUSA-N 0 3 271.364 1.667 40 0 CDABHN CCCCN1CCC(O)(c2cnc(OC)nc2OC)CC1 ZINC000012186335 356290540 /nfs/dbraw/zinc/29/05/40/356290540.db2.gz PDCWNPFMFQBMJI-UHFFFAOYSA-N 0 3 295.383 1.577 40 0 CDABHN Cn1cc2c(n1)nc(N1CCNCC1)cc2C(F)F ZINC000012398901 356297862 /nfs/dbraw/zinc/29/78/62/356297862.db2.gz VPJHEUBYYONUHZ-UHFFFAOYSA-N 0 3 267.283 1.316 40 0 CDABHN Cc1nc([C@H]([NH3+])Cc2c[nH]c3ccccc23)cc(=O)[n-]1 ZINC000019240939 356477952 /nfs/dbraw/zinc/47/79/52/356477952.db2.gz NVSYSZWRZLIDEA-GFCCVEGCSA-N 0 3 268.320 1.802 40 0 CDABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(C)(C)C ZINC000073743271 356933665 /nfs/dbraw/zinc/93/36/65/356933665.db2.gz AVGPDNDDSILWNK-UHFFFAOYSA-N 0 3 291.395 1.600 40 0 CDABHN CN(CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079391638 356988103 /nfs/dbraw/zinc/98/81/03/356988103.db2.gz FDZGWLMNRPIKMQ-CQSZACIVSA-N 0 3 278.352 1.322 40 0 CDABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079411017 356994028 /nfs/dbraw/zinc/99/40/28/356994028.db2.gz KRNZIZUIDWCTMY-HNNXBMFYSA-N 0 3 292.379 1.712 40 0 CDABHN CC(=O)N(C(C)C)[C@H]1CC[C@H](NC(=O)[C@@H](N)C(C)C)CC1 ZINC000100177665 358643009 /nfs/dbraw/zinc/64/30/09/358643009.db2.gz HEENRMXCSKRFHD-ZNMIVQPWSA-N 0 3 297.443 1.654 40 0 CDABHN CO[C@H]1COC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096158777 358710220 /nfs/dbraw/zinc/71/02/20/358710220.db2.gz KPNRLRSBOQETAA-CQSZACIVSA-N 0 3 262.353 1.852 40 0 CDABHN CN(C)C(=O)CN1CC[C@H]2[C@@H]1CCN2Cc1ccccc1 ZINC000096184382 358714131 /nfs/dbraw/zinc/71/41/31/358714131.db2.gz NSGIZQMXZANKPL-HOTGVXAUSA-N 0 3 287.407 1.423 40 0 CDABHN Cc1csc(NC(=O)[C@@H]2CNCc3ccnn3C2)n1 ZINC000096188880 358714812 /nfs/dbraw/zinc/71/48/12/358714812.db2.gz FTYPSSMGLXQJCV-SECBINFHSA-N 0 3 277.353 1.006 40 0 CDABHN Cc1cccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)n1 ZINC000096200172 358717961 /nfs/dbraw/zinc/71/79/61/358717961.db2.gz AWAJNYBJOQQHLT-JKSUJKDBSA-N 0 3 286.379 1.301 40 0 CDABHN CN1C[C@H]2C[C@H](C(=O)NCc3ccccc3)[C@@H](C1)O2 ZINC000096253444 358727948 /nfs/dbraw/zinc/72/79/48/358727948.db2.gz FGAASFNDKBLSEO-HZSPNIEDSA-N 0 3 260.337 1.022 40 0 CDABHN CCN(CC)CC(=O)NC[C@H]1OCCc2ccccc21 ZINC000026955102 360013271 /nfs/dbraw/zinc/01/32/71/360013271.db2.gz YGGLFHOODWPAAV-OAHLLOKOSA-N 0 3 276.380 1.758 40 0 CDABHN O=C(CSC1=NCCN1)Nc1ccc2c(c1)OCCO2 ZINC000026506172 370688164 /nfs/dbraw/zinc/68/81/64/370688164.db2.gz UHHSPKYEMJYAPR-UHFFFAOYSA-N 0 3 293.348 1.089 40 0 CDABHN CN(CCCCCF)C[C@H]1CCS(=O)(=O)C1 ZINC000225466706 374466494 /nfs/dbraw/zinc/46/64/94/374466494.db2.gz LXBNTXSYHJIFMI-LLVKDONJSA-N 0 3 251.367 1.493 40 0 CDABHN CCN[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000019529401 374747598 /nfs/dbraw/zinc/74/75/98/374747598.db2.gz ARGBYODCTOYLID-GFCCVEGCSA-N 0 3 290.319 1.105 40 0 CDABHN Cc1cccc(N2CC[C@@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 ZINC000306138570 374969721 /nfs/dbraw/zinc/96/97/21/374969721.db2.gz SAYGZLGRSMOSSE-HZPDHXFCSA-N 0 3 297.406 1.977 40 0 CDABHN O=C(NCCc1cccs1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1 ZINC000306133512 374970867 /nfs/dbraw/zinc/97/08/67/374970867.db2.gz MNNHYQACICEIPT-CYZMBNFOSA-N 0 3 280.393 1.174 40 0 CDABHN O=C(NCc1cccs1)[C@@H]1CN[C@@H]2CCO[C@@H]2C1 ZINC000306125958 374967848 /nfs/dbraw/zinc/96/78/48/374967848.db2.gz DHACOZDEGGEPPL-MVWJERBFSA-N 0 3 266.366 1.131 40 0 CDABHN Cc1cc(NC(=O)CN[C@@H]2CC(C)(C)OC2(C)C)no1 ZINC000132506860 375507980 /nfs/dbraw/zinc/50/79/80/375507980.db2.gz RROTZRKVZPSHEU-SNVBAGLBSA-N 0 3 281.356 1.857 40 0 CDABHN c1ccc2oc(-c3cnc(N4CCNCC4)nc3)nc2c1 ZINC000003031027 375514027 /nfs/dbraw/zinc/51/40/27/375514027.db2.gz BIWNPRMGOHXNCZ-UHFFFAOYSA-N 0 3 281.319 1.694 40 0 CDABHN Cc1cc(-c2cncn2C)nc([C@H]2CCCN(C)C2)n1 ZINC000257214308 190013449 /nfs/dbraw/zinc/01/34/49/190013449.db2.gz CLNAYNFAYVBNDI-LBPRGKRZSA-N 0 3 271.368 1.995 40 0 CDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2c(F)cccc2F)C1 ZINC000257260188 190022594 /nfs/dbraw/zinc/02/25/94/190022594.db2.gz LBRZLGUAXDLOEB-AWEZNQCLSA-N 0 3 284.306 1.103 40 0 CDABHN CN(C)[C@@H]1CN(C(=O)c2csc3c2CCCC3)C[C@H]1O ZINC000257319215 190033171 /nfs/dbraw/zinc/03/31/71/190033171.db2.gz VRHTVIOSWWBDRL-CHWSQXEVSA-N 0 3 294.420 1.374 40 0 CDABHN Cc1cc(C)nc([C@H]2CCN(Cc3cnc[nH]3)C2)n1 ZINC000257332810 190035920 /nfs/dbraw/zinc/03/59/20/190035920.db2.gz XYSZBIDIVHOUOO-LBPRGKRZSA-N 0 3 257.341 1.806 40 0 CDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391234 390421090 /nfs/dbraw/zinc/42/10/90/390421090.db2.gz WHQRBQCOCLVTFU-NWDGAFQWSA-N 0 3 299.415 1.439 40 0 CDABHN c1nc2c(c([C@@H]3CCOC3)n1)CCN(CC1CC1)CC2 ZINC000096058681 390912357 /nfs/dbraw/zinc/91/23/57/390912357.db2.gz FDAXZDOFNSLEFE-CYBMUJFWSA-N 0 3 273.380 1.791 40 0 CDABHN CN(Cc1cnn(C)c1)[C@@H]1CCCN(c2ccccn2)C1 ZINC000257246596 397607354 /nfs/dbraw/zinc/60/73/54/397607354.db2.gz IUVGRWAQAXDCHE-OAHLLOKOSA-N 0 3 285.395 1.916 40 0 CDABHN NC1(C(=O)N2CCc3cc(Cl)ccc3C2)CCOCC1 ZINC000335192427 150390504 /nfs/dbraw/zinc/39/05/04/150390504.db2.gz HZMDWAZUOQJOOH-UHFFFAOYSA-N 0 3 294.782 1.733 40 0 CDABHN C[C@@H](Sc1ccccc1)C(=O)NCCN(C)C ZINC000013674668 170576021 /nfs/dbraw/zinc/57/60/21/170576021.db2.gz SWLLBUNTFHOBPV-LLVKDONJSA-N 0 3 252.383 1.845 40 0 CDABHN C[C@@H]1CN([C@@H](CN)c2cccc(F)c2)C[C@H](C)O1 ZINC000022168450 171366908 /nfs/dbraw/zinc/36/69/08/171366908.db2.gz KOSVWTNJZPXZKA-WDMOLILDSA-N 0 3 252.333 1.935 40 0 CDABHN COC[C@@H]1CN(C)CCN(C(=O)Cc2ccccc2)C1 ZINC000072343695 176372194 /nfs/dbraw/zinc/37/21/94/176372194.db2.gz NHAOVMQJKVIVBN-OAHLLOKOSA-N 0 3 276.380 1.266 40 0 CDABHN CNC(=O)[C@@]1(C)CCCN(Cc2cn(C)nc2C)C1 ZINC000072346330 176372928 /nfs/dbraw/zinc/37/29/28/176372928.db2.gz YAHYBSMPIJHZQM-AWEZNQCLSA-N 0 3 264.373 1.077 40 0 CDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCN1CCO)C1CC1 ZINC000079408179 277178789 /nfs/dbraw/zinc/17/87/89/277178789.db2.gz ZOGZLUGGTWQZEC-ZDUSSCGKSA-N 0 3 284.400 1.843 40 0 CDABHN COP(=O)(OC)[C@@]1(O)C[C@H](C)N(C)C[C@H]1C ZINC000005358890 293376637 /nfs/dbraw/zinc/37/66/37/293376637.db2.gz ANRNCSUBAGMGGV-UTLUCORTSA-N 0 3 251.263 1.521 40 0 CDABHN c1cncc(COC[C@@H]2CCC[C@]23CNCCO3)c1 ZINC000096160943 518203847 /nfs/dbraw/zinc/20/38/47/518203847.db2.gz DTDNPXVGIAMAKW-GJZGRUSLSA-N 0 3 262.353 1.757 40 0 CDABHN CCc1ccc([C@H]2[C@@H](S(C)(=O)=O)[C@@]2(CN)COC)cc1 ZINC000218451987 536194954 /nfs/dbraw/zinc/19/49/54/536194954.db2.gz FOVIHOKEFKTLNW-ZNMIVQPWSA-N 0 3 297.420 1.351 40 0 CDABHN CN1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072793587 567903206 /nfs/dbraw/zinc/90/32/06/567903206.db2.gz BHQNAKIHLCMYIZ-LLVKDONJSA-N 0 3 261.325 1.066 40 0 CDABHN CN1CCC(CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000074920919 567903522 /nfs/dbraw/zinc/90/35/22/567903522.db2.gz OZFWTWBAIMYQSE-UHFFFAOYSA-N 0 3 290.363 1.763 40 0 CDABHN CN1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040051 185069200 /nfs/dbraw/zinc/06/92/00/185069200.db2.gz FWARSUXQPVHYOF-LSDHHAIUSA-N 0 3 262.353 1.961 40 0 CDABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 ZINC000096052272 185074925 /nfs/dbraw/zinc/07/49/25/185074925.db2.gz GDBFNEDONSWOJO-CVEARBPZSA-N 0 3 294.395 1.591 40 0 CDABHN c1cc(CNC[C@H]2Cn3nncc3CO2)cs1 ZINC000096060995 185083046 /nfs/dbraw/zinc/08/30/46/185083046.db2.gz ZSMIHRBLEVUVEA-NSHDSACASA-N 0 3 250.327 1.028 40 0 CDABHN CN1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 ZINC000096076206 185089126 /nfs/dbraw/zinc/08/91/26/185089126.db2.gz SZWDVKXCGGBVMW-HNNXBMFYSA-N 0 3 294.420 1.933 40 0 CDABHN c1cc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)ccn1 ZINC000096108717 185099295 /nfs/dbraw/zinc/09/92/95/185099295.db2.gz CQHQEBFLUUGZQO-IAGOWNOFSA-N 0 3 288.391 1.957 40 0 CDABHN O=C(c1ccnc(F)c1)N1CC[C@H]2[C@H]1CCN2CC1CC1 ZINC000585108128 342213234 /nfs/dbraw/zinc/21/32/34/342213234.db2.gz SSFLZLGIZSXGPB-UONOGXRCSA-N 0 3 289.354 1.920 40 0 CDABHN Clc1cncc(N2CC[C@H](N3CCCC3)C2)n1 ZINC000061858101 362326439 /nfs/dbraw/zinc/32/64/39/362326439.db2.gz GGWKAJOEVLPASQ-JTQLQIEISA-N 0 3 252.749 1.805 40 0 CDABHN CCN(CC)C(=O)[C@H]1CCCN1[C@H](CN)C(F)(F)F ZINC000110768486 350312014 /nfs/dbraw/zinc/31/20/14/350312014.db2.gz AKCHINCQNYUUKT-NXEZZACHSA-N 0 3 281.322 1.209 40 0 CDABHN CC(C)N1CCO[C@H](CN2CCN(CC3CC3)CC2)C1 ZINC000156170739 188246533 /nfs/dbraw/zinc/24/65/33/188246533.db2.gz SOKBCLLBRVHMEP-MRXNPFEDSA-N 0 3 281.444 1.123 40 0 CDABHN COc1ccc(C(=O)C(CN(C)C)CN(C)C)cc1 ZINC000031416401 356765277 /nfs/dbraw/zinc/76/52/77/356765277.db2.gz CKCSYKNKPJUIIK-UHFFFAOYSA-N 0 3 264.369 1.617 40 0 CDABHN NCC(=O)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC000079404113 356989771 /nfs/dbraw/zinc/98/97/71/356989771.db2.gz CHSRVIMTHWTFTE-AWEZNQCLSA-N 0 3 261.369 1.116 40 0 CDABHN CCN(C[C@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C ZINC000079408022 356990878 /nfs/dbraw/zinc/99/08/78/356990878.db2.gz PSHSWLUKFFJWGA-ZDUSSCGKSA-N 0 3 286.416 1.948 40 0 CDABHN C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079409504 356992029 /nfs/dbraw/zinc/99/20/29/356992029.db2.gz UWZKUJZFNNRYNC-QWRGUYRKSA-N 0 3 285.388 1.097 40 0 CDABHN O=C(CC1CC1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093863 358098896 /nfs/dbraw/zinc/09/88/96/358098896.db2.gz LIEBSLMFXPAFBZ-CQSZACIVSA-N 0 3 278.396 1.092 40 0 CDABHN CN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177872 358643389 /nfs/dbraw/zinc/64/33/89/358643389.db2.gz YVAGOYXVYDMXGK-PHIMTYICSA-N 0 3 285.388 1.239 40 0 CDABHN Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CN(C)C)OC[C@@H]3C2)no1 ZINC000096185255 358713986 /nfs/dbraw/zinc/71/39/86/358713986.db2.gz GGLSNTDGWBOJHA-SGMGOOAPSA-N 0 3 293.367 1.022 40 0 CDABHN COc1ccc(CN2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096186178 358714121 /nfs/dbraw/zinc/71/41/21/358714121.db2.gz HZHCBXPDCQUAHW-KBPBESRZSA-N 0 3 260.337 1.548 40 0 CDABHN NC[C@@H]1CC(C(=O)Nc2ccc(C(F)(F)F)cc2)=NO1 ZINC000222552077 283454957 /nfs/dbraw/zinc/45/49/57/283454957.db2.gz RWNSEUYTLYURCU-VIFPVBQESA-N 0 3 287.241 1.748 40 0 CDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079409669 284194035 /nfs/dbraw/zinc/19/40/35/284194035.db2.gz SSCBCHWPTFFJMC-QWRGUYRKSA-N 0 3 285.388 1.192 40 0 CDABHN CCOC[C@H](O)CN1CC[C@H](Oc2ccccc2)C1 ZINC000079355225 374796096 /nfs/dbraw/zinc/79/60/96/374796096.db2.gz WBIUPXVTPZEVTL-HIFRSBDPSA-N 0 3 265.353 1.537 40 0 CDABHN O=C1OCCN1CCN1CCC[C@H]1COc1ccccc1 ZINC000079100098 374769808 /nfs/dbraw/zinc/76/98/08/374769808.db2.gz BNDXLTWBMAKFLR-AWEZNQCLSA-N 0 3 290.363 1.982 40 0 CDABHN O=C(C1CCN(C[C@H]2CO2)CC1)N1CCCCC1 ZINC000095097807 374871200 /nfs/dbraw/zinc/87/12/00/374871200.db2.gz XVLCKLGCKPVKHP-ZDUSSCGKSA-N 0 3 252.358 1.110 40 0 CDABHN NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCCN2)cc1 ZINC000257236581 190018024 /nfs/dbraw/zinc/01/80/24/190018024.db2.gz HCVPIGAWPDLYDM-ZDUSSCGKSA-N 0 3 297.362 1.639 40 0 CDABHN O[C@H]1CN(CCOc2ccc(F)cc2)CC[C@@]12CCCO2 ZINC000257241188 190018764 /nfs/dbraw/zinc/01/87/64/190018764.db2.gz HWZUKVXQECKXNN-HOTGVXAUSA-N 0 3 295.354 1.820 40 0 CDABHN O=C1CCC[C@]2(CN(CCO)C[C@H]2c2ccccc2)N1 ZINC000257249397 190020256 /nfs/dbraw/zinc/02/02/56/190020256.db2.gz JIDGPSFKKXHLJB-GOEBONIOSA-N 0 3 274.364 1.117 40 0 CDABHN CCN(CC)C(=O)c1cncc([C@H]2CCCN(C)C2)n1 ZINC000257263383 190022739 /nfs/dbraw/zinc/02/27/39/190022739.db2.gz LPQJUEHCYBWDTB-LBPRGKRZSA-N 0 3 276.384 1.768 40 0 CDABHN Cc1ncccc1C(=O)NCc1c[nH]c([C@@H]2CCN(C)C2)n1 ZINC000257295579 190028481 /nfs/dbraw/zinc/02/84/81/190028481.db2.gz QYZQBTNOKFNFQH-GFCCVEGCSA-N 0 3 299.378 1.462 40 0 CDABHN Cc1cn(C)c([C@@H]2CCN(Cc3cncn3C)C2)n1 ZINC000257343799 190037831 /nfs/dbraw/zinc/03/78/31/190037831.db2.gz ZULXUHGEJHUSTJ-GFCCVEGCSA-N 0 3 259.357 1.452 40 0 CDABHN CCN1CCC[C@H]1CNC(=O)c1cccnc1OC ZINC000039335854 377465548 /nfs/dbraw/zinc/46/55/48/377465548.db2.gz HKJIKRVMMOKAKM-NSHDSACASA-N 0 3 263.341 1.304 40 0 CDABHN Cc1nn(C)c(C(=O)N2CCN3CCC[C@H]3C2)c1Cl ZINC000002761689 378053413 /nfs/dbraw/zinc/05/34/13/378053413.db2.gz IZVRCMVOADLQRE-JTQLQIEISA-N 0 3 282.775 1.302 40 0 CDABHN CC1=Nc2ccc(S(N)(=O)=O)cc2NC(C)=C1 ZINC000005607779 390163522 /nfs/dbraw/zinc/16/35/22/390163522.db2.gz JWJLQOWPOJIXRM-UHFFFAOYSA-N 0 3 251.311 1.756 40 0 CDABHN CC1=Nc2ccc(S(N)(=O)=O)cc2N=C(C)C1 ZINC000005607779 390163525 /nfs/dbraw/zinc/16/35/25/390163525.db2.gz JWJLQOWPOJIXRM-UHFFFAOYSA-N 0 3 251.311 1.756 40 0 CDABHN NCCn1ccn2nc(-c3ccccc3)cc2c1=O ZINC000096517331 390533025 /nfs/dbraw/zinc/53/30/25/390533025.db2.gz KXMJLKWIWJEEGT-UHFFFAOYSA-N 0 3 254.293 1.122 40 0 CDABHN c1c[nH]c(CNCCCn2cnc3ccccc32)n1 ZINC000049714681 390803708 /nfs/dbraw/zinc/80/37/08/390803708.db2.gz ZGBCCIWEWFCKDC-UHFFFAOYSA-N 0 3 255.325 1.939 40 0 CDABHN CC(C)NC(=O)N1CCC(CN2CCN(C)C[C@H]2C)CC1 ZINC000085468292 397611001 /nfs/dbraw/zinc/61/10/01/397611001.db2.gz UWKAPPSLLUOJAH-CQSZACIVSA-N 0 3 296.459 1.452 40 0 CDABHN COC(=O)[C@@]12CC1=C([O-])c1cc(Br)ccc1O2 ZINC000103702564 397840024 /nfs/dbraw/zinc/84/00/24/397840024.db2.gz SOKHQAKXQXESPD-QPUJVOFHSA-N 0 3 297.104 1.956 40 0 CDABHN COC(=O)[C@@]12CC1C(=O)c1cc(Br)ccc1O2 ZINC000103702564 397840029 /nfs/dbraw/zinc/84/00/29/397840029.db2.gz SOKHQAKXQXESPD-QPUJVOFHSA-N 0 3 297.104 1.956 40 0 CDABHN O=S(=O)(NCCNC1CC1)c1cccc(Cl)c1 ZINC000054267000 175556682 /nfs/dbraw/zinc/55/66/82/175556682.db2.gz LFURPAVBZRNYDH-UHFFFAOYSA-N 0 3 274.773 1.370 40 0 CDABHN C[C@H](N)C(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391236 177475406 /nfs/dbraw/zinc/47/54/06/177475406.db2.gz JOOZWSRVZSVJQS-NSHDSACASA-N 0 3 299.415 1.439 40 0 CDABHN COC[C@H]1CN(CC2CCOCC2)Cc2cn(C)nc21 ZINC000096059823 277267286 /nfs/dbraw/zinc/26/72/86/277267286.db2.gz CYGQKBPYFZPKBT-CQSZACIVSA-N 0 3 279.384 1.392 40 0 CDABHN Cc1cccc(C(C)C)c1N1CC[C@@H](CN)S1(=O)=O ZINC000222541051 281197596 /nfs/dbraw/zinc/19/75/96/281197596.db2.gz IFXHXEJYWMKXHF-LBPRGKRZSA-N 0 3 282.409 1.986 40 0 CDABHN COc1cc(N[C@H](C)C[C@H]2COCCN2)cc(OC)c1 ZINC000133343744 846911002 /nfs/dbraw/zinc/91/10/02/846911002.db2.gz YDPUHAPWLCWAIY-YPMHNXCESA-N 0 3 280.368 1.883 40 0 CDABHN OCCN1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1 ZINC000096078140 185088929 /nfs/dbraw/zinc/08/89/29/185088929.db2.gz PSOFPTOYGIEJFX-AWEZNQCLSA-N 0 3 297.349 1.611 40 0 CDABHN Cn1cc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096110642 185100540 /nfs/dbraw/zinc/10/05/40/185100540.db2.gz VYDAPYFRJOMATF-HZPDHXFCSA-N 0 3 297.406 1.379 40 0 CDABHN CC1(C)C[C@@H](NCC(=O)NCc2cccnc2)C(C)(C)O1 ZINC000132555226 187635061 /nfs/dbraw/zinc/63/50/61/187635061.db2.gz LVCRNSCYCTUICH-CYBMUJFWSA-N 0 3 291.395 1.634 40 0 CDABHN Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccccc1F)CC2 ZINC000019286449 356479338 /nfs/dbraw/zinc/47/93/38/356479338.db2.gz UCNWTIZKWXKZCU-UHFFFAOYSA-N 0 3 287.338 1.818 40 0 CDABHN C[C@H](N)C(=O)N(C)Cc1ccc(Br)nc1 ZINC000079421586 356996164 /nfs/dbraw/zinc/99/61/64/356996164.db2.gz BMTUYKQAYRKUJC-ZETCQYMHSA-N 0 3 272.146 1.150 40 0 CDABHN C[C@H]1CN([C@@H](CN)c2ccc(F)cc2)C[C@H](C)O1 ZINC000036092673 357270737 /nfs/dbraw/zinc/27/07/37/357270737.db2.gz LKAVRIRVSFRCHU-MJVIPROJSA-N 0 3 252.333 1.935 40 0 CDABHN COc1ccc(C2(O)CCN(C)CC2)cc1OC ZINC000055192389 357330296 /nfs/dbraw/zinc/33/02/96/357330296.db2.gz UARHBJKECMAFMU-UHFFFAOYSA-N 0 3 251.326 1.617 40 0 CDABHN N[C@]1(CF)CCN(C(=O)OCc2ccccc2)C1 ZINC000199768184 358092087 /nfs/dbraw/zinc/09/20/87/358092087.db2.gz CJCCGYFPDGOQDW-ZDUSSCGKSA-N 0 3 252.289 1.696 40 0 CDABHN CCn1c(=O)ccc2c1CC[C@@H](NCc1nccs1)C2 ZINC000096189617 358716608 /nfs/dbraw/zinc/71/66/08/358716608.db2.gz GXMMNHFVIIFXEC-GFCCVEGCSA-N 0 3 289.404 1.972 40 0 CDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccncc1)CC2 ZINC000096207838 358720350 /nfs/dbraw/zinc/72/03/50/358720350.db2.gz AUJHLTDADBCPMP-CQSZACIVSA-N 0 3 289.379 1.056 40 0 CDABHN CN1CCCC[C@]12CCCN(C(=O)c1cnccn1)C2 ZINC000096217577 358722264 /nfs/dbraw/zinc/72/22/64/358722264.db2.gz NJGQINXDKCLCIB-OAHLLOKOSA-N 0 3 274.368 1.567 40 0 CDABHN CN1CCCCC12CCN(c1nncs1)CC2 ZINC000096217550 358722346 /nfs/dbraw/zinc/72/23/46/358722346.db2.gz LBMRYSLHKFKOAZ-UHFFFAOYSA-N 0 3 252.387 1.993 40 0 CDABHN CN(C)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096224799 358722800 /nfs/dbraw/zinc/72/28/00/358722800.db2.gz NFFNJJHRRGFYFP-LBPRGKRZSA-N 0 3 281.425 1.828 40 0 CDABHN O=C1[C@H]2CN(Cc3ccoc3)C[C@H]2CN1Cc1ccncc1 ZINC000096245138 358724481 /nfs/dbraw/zinc/72/44/81/358724481.db2.gz ONZIIYACBFUICJ-HOTGVXAUSA-N 0 3 297.358 1.765 40 0 CDABHN Cc1ncnc2c1CCN(Cc1ccccn1)CC2 ZINC000096254957 358727968 /nfs/dbraw/zinc/72/79/68/358727968.db2.gz JWHJSHLUPGGEOU-UHFFFAOYSA-N 0 3 254.337 1.781 40 0 CDABHN CN(C)Cc1[nH]nc2c1CCN(Cc1cccnc1)C2 ZINC000096255835 358728744 /nfs/dbraw/zinc/72/87/44/358728744.db2.gz YAWSENUBQMKIAB-UHFFFAOYSA-N 0 3 271.368 1.425 40 0 CDABHN CCN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178068 284149440 /nfs/dbraw/zinc/14/94/40/284149440.db2.gz ZLAJKWRSAPSCLK-TXEJJXNPSA-N 0 3 299.415 1.630 40 0 CDABHN CN1CCN(Cc2ccc(Cl)c(F)c2)C[C@H](C(N)=O)C1 ZINC000257224256 190015114 /nfs/dbraw/zinc/01/51/14/190015114.db2.gz FAZDPBCITXDXLM-LLVKDONJSA-N 0 3 299.777 1.328 40 0 CDABHN COCCCNC(=O)c1ccccc1-n1cnc(CN)c1 ZINC000257243348 190018732 /nfs/dbraw/zinc/01/87/32/190018732.db2.gz IGNPVWRAXMZENN-UHFFFAOYSA-N 0 3 288.351 1.097 40 0 CDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2cc(C)nc(C)n2)C1 ZINC000257333982 190035570 /nfs/dbraw/zinc/03/55/70/190035570.db2.gz YDZJKZCTIWMFIB-OAHLLOKOSA-N 0 3 287.367 1.698 40 0 CDABHN COCCC(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000063528481 378303368 /nfs/dbraw/zinc/30/33/68/378303368.db2.gz PJLZKLLSJBUEFE-OKILXGFUSA-N 0 3 289.379 1.008 40 0 CDABHN CC(C)N(C[C@@H]1COc2ccccc2O1)C(=O)CN ZINC000079421456 390422639 /nfs/dbraw/zinc/42/26/39/390422639.db2.gz XCHNIOGAEZKVBC-LLVKDONJSA-N 0 3 264.325 1.022 40 0 CDABHN Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCN1C ZINC000072219610 390622981 /nfs/dbraw/zinc/62/29/81/390622981.db2.gz RRSZUXVQZFJHMW-AWEZNQCLSA-N 0 3 261.369 1.993 40 0 CDABHN Cc1cc(CCO)cnc1N1CCN(C(C)C)CC1 ZINC000072222678 390624263 /nfs/dbraw/zinc/62/42/63/390624263.db2.gz HLHVNAPSAZLAAC-UHFFFAOYSA-N 0 3 263.385 1.455 40 0 CDABHN COc1ccc(C[C@@H]2CN(C)CC[C@H]2O)c(OC)c1OC ZINC000252497670 392795030 /nfs/dbraw/zinc/79/50/30/392795030.db2.gz QMQMRMFUDUJKIO-CHWSQXEVSA-N 0 3 295.379 1.568 40 0 CDABHN Cc1cncc([C@@H]2CCCN2CC2(O)CCOCC2)n1 ZINC000257293468 397607325 /nfs/dbraw/zinc/60/73/25/397607325.db2.gz QPNRYZFYPDDEMP-AWEZNQCLSA-N 0 3 277.368 1.463 40 0 CDABHN CC(C)N(C(=O)[C@H](C)NC[C@H]1CCCO1)C(C)C ZINC000004969162 170046986 /nfs/dbraw/zinc/04/69/86/170046986.db2.gz NCETZSSCAXGGDG-QWHCGFSZSA-N 0 3 256.390 1.789 40 0 CDABHN CCN(CC)CCN[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000022586267 171393127 /nfs/dbraw/zinc/39/31/27/171393127.db2.gz GENAEMYXVFBVFV-AWEZNQCLSA-N 0 3 289.423 1.896 40 0 CDABHN C[C@H](NCCN(C)C)C(=O)N1CCCCCCC1 ZINC000022586220 171393385 /nfs/dbraw/zinc/39/33/85/171393385.db2.gz HGSCIHYSEIQQAI-ZDUSSCGKSA-N 0 3 255.406 1.319 40 0 CDABHN Cc1nccn1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000072355463 176374967 /nfs/dbraw/zinc/37/49/67/176374967.db2.gz JLIAPWSQPCKOQI-GFCCVEGCSA-N 0 3 257.341 1.780 40 0 CDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccsc1 ZINC000072397588 176395221 /nfs/dbraw/zinc/39/52/21/176395221.db2.gz IWGCWUJJYLIYCP-CYZMBNFOSA-N 0 3 252.383 1.387 40 0 CDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000083318380 260188907 /nfs/dbraw/zinc/18/89/07/260188907.db2.gz IUAIUTQQJMTBTQ-GARJFASQSA-N 0 3 285.388 1.286 40 0 CDABHN O=C1O[C@@]2(CN1c1ccc(Cl)cc1)CNCCOC2 ZINC000257242228 275027203 /nfs/dbraw/zinc/02/72/03/275027203.db2.gz IBPFLVNZESBPCE-CYBMUJFWSA-N 0 3 282.727 1.655 40 0 CDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 ZINC000096058273 277245056 /nfs/dbraw/zinc/24/50/56/277245056.db2.gz SYCDLHNBIGAPRL-HZSPNIEDSA-N 0 3 278.352 1.253 40 0 CDABHN COCc1cc(N(C)C[C@H]2CCCN2C)ncn1 ZINC000562927250 293217923 /nfs/dbraw/zinc/21/79/23/293217923.db2.gz KISZIGCWDVZGRQ-GFCCVEGCSA-N 0 3 250.346 1.153 40 0 CDABHN CCN1CCOC[C@@]2(CCCN(C(=O)N(C)C)C2)C1 ZINC000096049620 185073869 /nfs/dbraw/zinc/07/38/69/185073869.db2.gz OJDATRLHGICDDT-AWEZNQCLSA-N 0 3 269.389 1.102 40 0 CDABHN O=C([C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1)N1CCCO1 ZINC000096066175 185084130 /nfs/dbraw/zinc/08/41/30/185084130.db2.gz OBCQFMXIMIHUKC-BFHYXJOUSA-N 0 3 280.368 1.040 40 0 CDABHN Cc1cccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)n1 ZINC000096063974 185084395 /nfs/dbraw/zinc/08/43/95/185084395.db2.gz SAYGZLGRSMOSSE-CVEARBPZSA-N 0 3 297.406 1.977 40 0 CDABHN Cc1cccc(OC[C@@]2(O)CCCN(CCC(N)=O)C2)c1 ZINC000585269052 342254384 /nfs/dbraw/zinc/25/43/84/342254384.db2.gz JCJGJYSXWLOBRC-MRXNPFEDSA-N 0 3 292.379 1.076 40 0 CDABHN CO[C@H]1Cn2nccc2CN(CCc2ccccc2)C1 ZINC000247881914 362136985 /nfs/dbraw/zinc/13/69/85/362136985.db2.gz QJAVIZPYMQJTAS-MRXNPFEDSA-N 0 3 271.364 1.956 40 0 CDABHN Cc1ccc(C(=O)N2Cc3cncn3[C@@H](CN(C)C)C2)cn1 ZINC000248146943 362153879 /nfs/dbraw/zinc/15/38/79/362153879.db2.gz WBPZJJZHZQDRAK-HNNXBMFYSA-N 0 3 299.378 1.345 40 0 CDABHN CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cn(C)nc1C)C2 ZINC000108532689 186222486 /nfs/dbraw/zinc/22/24/86/186222486.db2.gz SACSIEUMWGEEAJ-GDBMZVCRSA-N 0 3 290.411 1.467 40 0 CDABHN [NH3+][C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccccc1 ZINC000019369349 356483108 /nfs/dbraw/zinc/48/31/08/356483108.db2.gz NNDATGCDNUYDLS-CQSZACIVSA-N 0 3 284.363 1.613 40 0 CDABHN O=C(NC[C@@H]1CCCCN1CCO)OCc1ccccc1 ZINC000079410894 356994001 /nfs/dbraw/zinc/99/40/01/356994001.db2.gz SVWFMOORXWPNBE-HNNXBMFYSA-N 0 3 292.379 1.760 40 0 CDABHN CC(C)N(Cc1cccc2c1OCCO2)C(=O)CN ZINC000079421448 356996188 /nfs/dbraw/zinc/99/61/88/356996188.db2.gz YKVITMNXKJREJO-UHFFFAOYSA-N 0 3 264.325 1.154 40 0 CDABHN CCOC(CNC[C@H](C)C(=O)OC(C)(C)C)OCC ZINC000047219141 357153901 /nfs/dbraw/zinc/15/39/01/357153901.db2.gz IVYZOQODXLJAMD-NSHDSACASA-N 0 3 275.389 1.953 40 0 CDABHN c1cnc(N2CCO[C@H]3CN(CC4CCCC4)C[C@H]32)cn1 ZINC000096248900 358726704 /nfs/dbraw/zinc/72/67/04/358726704.db2.gz UFQHOBFHRNTULP-CABCVRRESA-N 0 3 288.395 1.556 40 0 CDABHN CC[C@@H](C)N1C[C@@H]2[C@H](C1)OCCN2c1ncc(F)cn1 ZINC000096248858 358726778 /nfs/dbraw/zinc/72/67/78/358726778.db2.gz XGFKDQCTOILSOP-RTXFEEFZSA-N 0 3 280.347 1.304 40 0 CDABHN Cc1c(Cl)cccc1N1CC[C@@H](CN)S1(=O)=O ZINC000222544762 359352900 /nfs/dbraw/zinc/35/29/00/359352900.db2.gz GCMZJBKIDVIODB-VIFPVBQESA-N 0 3 274.773 1.516 40 0 CDABHN Cc1cc(C)cc(N2CC[C@@H](CN)S2(=O)=O)c1 ZINC000222540707 189731676 /nfs/dbraw/zinc/73/16/76/189731676.db2.gz AUEVIXVGMOJPJL-LBPRGKRZSA-N 0 3 254.355 1.171 40 0 CDABHN COC1CCN(CCNC(=O)C2CCCCC2)CC1 ZINC000079669457 374833362 /nfs/dbraw/zinc/83/33/62/374833362.db2.gz SUGSCHFDAUHARE-UHFFFAOYSA-N 0 3 268.401 1.794 40 0 CDABHN c1ccc(COCc2cncc3c2CCNC3)nc1 ZINC000306128111 374967118 /nfs/dbraw/zinc/96/71/18/374967118.db2.gz GQEVDVBKLAWFJZ-UHFFFAOYSA-N 0 3 255.321 1.839 40 0 CDABHN Fc1cccc(-c2cnc3c(N4CCNCC4)nccn23)c1 ZINC000306145060 374972311 /nfs/dbraw/zinc/97/23/11/374972311.db2.gz ZWFKOCLDOHXAKB-UHFFFAOYSA-N 0 3 297.337 1.945 40 0 CDABHN c1cncc(OCc2nn(CC3CC3)c3c2CNCC3)c1 ZINC000306144828 374972558 /nfs/dbraw/zinc/97/25/58/374972558.db2.gz ZPRNWHNJNMOTFB-UHFFFAOYSA-N 0 3 284.363 1.913 40 0 CDABHN c1nn(C2CCCC2)cc1CNCCN1CCOCC1 ZINC000256050245 190003260 /nfs/dbraw/zinc/00/32/60/190003260.db2.gz DHANHEABVFBQFV-UHFFFAOYSA-N 0 3 278.400 1.420 40 0 CDABHN CCOC[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(C)(=O)=O ZINC000218013459 375777640 /nfs/dbraw/zinc/77/76/40/375777640.db2.gz HUWQZPKWFVVEMZ-RDBSUJKOSA-N 0 3 283.393 1.179 40 0 CDABHN c1cnc([N-]c2cncc([C@H]3CCC[NH2+]C3)n2)nc1 ZINC000257271045 190024320 /nfs/dbraw/zinc/02/43/20/190024320.db2.gz MWOXTAPVTFVBCH-JTQLQIEISA-N 0 3 256.313 1.477 40 0 CDABHN CN(C)Cc1c[nH]c([C@@H]2CCN(Cc3cnn(C)c3)C2)n1 ZINC000257302124 190030370 /nfs/dbraw/zinc/03/03/70/190030370.db2.gz SBQFOSIZFBIEFK-CYBMUJFWSA-N 0 3 288.399 1.194 40 0 CDABHN N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1cc(CC2CCCCC2)nn1 ZINC000004261011 375944422 /nfs/dbraw/zinc/94/44/22/375944422.db2.gz ACPUVXGELYYVPR-BYNSBNAKSA-N 0 3 292.383 1.067 40 0 biogenic,in-vitro CDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccccc1 ZINC000252515190 390957158 /nfs/dbraw/zinc/95/71/58/390957158.db2.gz HUWQZPKWFVVEMZ-MGPQQGTHSA-N 0 3 283.393 1.179 40 0 CDABHN CCOCC1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000225488367 286033995 /nfs/dbraw/zinc/03/39/95/286033995.db2.gz RPRYOBUBJPXWFD-GFCCVEGCSA-N 0 3 256.390 1.635 40 0 CDABHN C[C@@H](NCCN(C)C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000022586203 287026560 /nfs/dbraw/zinc/02/65/60/287026560.db2.gz YKTYQTJPTLNLGO-RWMBFGLXSA-N 0 3 255.406 1.031 40 0 CDABHN O=C(CNC[C@@H]1CCCO1)NCc1ccc(F)cc1 ZINC000004969093 170046750 /nfs/dbraw/zinc/04/67/50/170046750.db2.gz UCDXSNOVYMPXAM-ZDUSSCGKSA-N 0 3 266.316 1.211 40 0 CDABHN CCN1CCN(C[C@@H](O)CO[C@@H]2CCC[C@@H]2C)CC1 ZINC000020707529 171270097 /nfs/dbraw/zinc/27/00/97/171270097.db2.gz HOQJEEHSQKXMCX-RRFJBIMHSA-N 0 3 270.417 1.190 40 0 CDABHN CN(Cc1ccc(Br)cc1)C(=O)CN ZINC000037493506 173233931 /nfs/dbraw/zinc/23/39/31/173233931.db2.gz QPBNJWCDKHFXLN-UHFFFAOYSA-N 0 3 257.131 1.366 40 0 CDABHN OCCN1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000072355780 176374742 /nfs/dbraw/zinc/37/47/42/176374742.db2.gz MCXCFQXPQXTEJD-AWEZNQCLSA-N 0 3 270.336 1.668 40 0 CDABHN Cn1ccnc1CNc1cnc(C2CCN(C)CC2)cn1 ZINC000072365427 176380810 /nfs/dbraw/zinc/38/08/10/176380810.db2.gz AFMOKIACPFEAJK-UHFFFAOYSA-N 0 3 286.383 1.631 40 0 CDABHN Cc1cn[nH]c1[C@H]1CCCN1C(=O)Cn1ccnc1 ZINC000072366161 176381401 /nfs/dbraw/zinc/38/14/01/176381401.db2.gz VIWWGGULMPOMKP-LLVKDONJSA-N 0 3 259.313 1.278 40 0 CDABHN COc1ccc(CN[C@H]2CCC(=O)NC2)c(OC)c1OC ZINC000078553528 177353805 /nfs/dbraw/zinc/35/38/05/177353805.db2.gz BPAOAGSUXCWMER-NSHDSACASA-N 0 3 294.351 1.081 40 0 CDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000083318375 260189414 /nfs/dbraw/zinc/18/94/14/260189414.db2.gz IUAIUTQQJMTBTQ-AXFHLTTASA-N 0 3 285.388 1.286 40 0 CDABHN CN1c2cccnc2CN(CC2CC2)CC[C@H]1CO ZINC000225496645 277219019 /nfs/dbraw/zinc/21/90/19/277219019.db2.gz CVGNINYIZYEQAG-ZDUSSCGKSA-N 0 3 261.369 1.494 40 0 biogenic,in-vitro CDABHN CC(=O)N1C[C@@H]2CN(C(C)C)CCN2C(C)(C)C1 ZINC000253406399 278071477 /nfs/dbraw/zinc/07/14/77/278071477.db2.gz UKUFRFCLNVTVSG-ZDUSSCGKSA-N 0 3 253.390 1.022 40 0 biogenic,in-vitro CDABHN CCC(CC)(C[NH3+])[N-]S(=O)(=O)c1cccs1 ZINC000082668251 282075962 /nfs/dbraw/zinc/07/59/62/282075962.db2.gz BKMJBEWWOUUXGN-UHFFFAOYSA-N 0 3 262.400 1.544 40 0 CDABHN Cc1c(Cl)cccc1N1CC[C@H](CN)S1(=O)=O ZINC000260759339 328063833 /nfs/dbraw/zinc/06/38/33/328063833.db2.gz GCMZJBKIDVIODB-SECBINFHSA-N 0 3 274.773 1.516 40 0 CDABHN Cc1nnc(C2CCN([C@H]3CCCC[C@H]3O)CC2)o1 ZINC000257338433 327136342 /nfs/dbraw/zinc/13/63/42/327136342.db2.gz YXJYMIZPLSQURK-QWHCGFSZSA-N 0 3 265.357 1.861 40 0 CDABHN c1ccc(CCNCc2cnc(N3CCOCC3)nc2)cc1 ZINC000062717751 333176039 /nfs/dbraw/zinc/17/60/39/333176039.db2.gz ZLXMAYDUGITYBV-UHFFFAOYSA-N 0 3 298.390 1.646 40 0 CDABHN CC(C)CCC(=O)N1Cc2ccnn2[C@@H](CN(C)C)C1 ZINC000575406887 342451881 /nfs/dbraw/zinc/45/18/81/342451881.db2.gz XBANPWHKCDIWMK-AWEZNQCLSA-N 0 3 278.400 1.764 40 0 CDABHN CC1(C)N[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2CO1 ZINC000095913270 185030825 /nfs/dbraw/zinc/03/08/25/185030825.db2.gz PEJXWFVSLBDUGW-UONOGXRCSA-N 0 3 290.363 1.980 40 0 CDABHN CN(C)C(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096053914 185075933 /nfs/dbraw/zinc/07/59/33/185075933.db2.gz DDLZWKLCCKHDCY-KBPBESRZSA-N 0 3 291.370 1.871 40 0 CDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccco1 ZINC000096056469 185077998 /nfs/dbraw/zinc/07/79/98/185077998.db2.gz CLGPSNYRTAVZIO-HUUCEWRRSA-N 0 3 291.395 1.407 40 0 CDABHN Cn1cc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096110630 185100911 /nfs/dbraw/zinc/10/09/11/185100911.db2.gz JNNFXHYLKZATFK-IRXDYDNUSA-N 0 3 297.406 1.379 40 0 CDABHN Cc1ncc(CN2CCC[C@]3(CN(C)C3=O)C2)s1 ZINC000585099485 342212252 /nfs/dbraw/zinc/21/22/52/342212252.db2.gz NIDGDWCAJXAASO-ZDUSSCGKSA-N 0 3 265.382 1.506 40 0 CDABHN CNC(=O)C[C@@]1(COC)CCCN1Cc1cccnc1 ZINC000585277706 342256389 /nfs/dbraw/zinc/25/63/89/342256389.db2.gz XEDQVLDPOWYLGN-OAHLLOKOSA-N 0 3 277.368 1.199 40 0 CDABHN Cc1nc(COCC[C@H]2CCOC23CNC3)cs1 ZINC000248029721 362144565 /nfs/dbraw/zinc/14/45/65/362144565.db2.gz LNBGSLZFBMZKKN-NSHDSACASA-N 0 3 268.382 1.737 40 0 CDABHN CCOC(=O)C1=CN(CCN(C)C)/C(=C/N=O)C=C1 ZINC000038176990 348739454 /nfs/dbraw/zinc/73/94/54/348739454.db2.gz WJZFGYKKLOGFQI-FMIVXFBMSA-N 0 3 265.313 1.475 40 0 CDABHN C[C@H](N)C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000157427692 188316788 /nfs/dbraw/zinc/31/67/88/188316788.db2.gz JJOWOVLCKLXQBM-JQWIXIFHSA-N 0 3 252.314 1.134 40 0 CDABHN Cc1ccn(CCNC(=O)CN2CCC[C@H](C)C2)n1 ZINC000019238131 356477839 /nfs/dbraw/zinc/47/78/39/356477839.db2.gz LFUNINWRGIDLFC-LBPRGKRZSA-N 0 3 264.373 1.040 40 0 CDABHN c1cnc(N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)nc1 ZINC000035905131 356853319 /nfs/dbraw/zinc/85/33/19/356853319.db2.gz OCUXVCQBAWIADX-BFHYXJOUSA-N 0 3 258.369 1.787 40 0 CDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404461 356990958 /nfs/dbraw/zinc/99/09/58/356990958.db2.gz FUUACBIFNCNOAE-GOEBONIOSA-N 0 3 289.423 1.847 40 0 CDABHN CN1CC[C@@H](N2CCC[C@@H]2C[C@H](O)c2ccccc2)C1=O ZINC000076075189 356954279 /nfs/dbraw/zinc/95/42/79/356954279.db2.gz NISBGRIODMBHNH-OAGGEKHMSA-N 0 3 288.391 1.805 40 0 CDABHN Cn1cc(CN2CCc3ncnc(C4CC4)c3CC2)cn1 ZINC000096058619 358707579 /nfs/dbraw/zinc/70/75/79/358707579.db2.gz HFKXSRRQZMBOFC-UHFFFAOYSA-N 0 3 283.379 1.688 40 0 CDABHN COc1nn(C)c2c1CCCN(CC1CCOCC1)C2 ZINC000096254417 358728090 /nfs/dbraw/zinc/72/80/90/358728090.db2.gz QCPFULJOYPKLTP-UHFFFAOYSA-N 0 3 279.384 1.604 40 0 CDABHN O=S(=O)(CC1CCCCC1)N[C@H]1CCCNC1 ZINC000042520645 364592499 /nfs/dbraw/zinc/59/24/99/364592499.db2.gz GFEQZQRPKGCAKH-LBPRGKRZSA-N 0 3 260.403 1.238 40 0 CDABHN Cn1nc(C(F)(F)F)cc1CNCCCCO ZINC000256052383 190004604 /nfs/dbraw/zinc/00/46/04/190004604.db2.gz NCTHLKJFXGPOGK-UHFFFAOYSA-N 0 3 251.252 1.301 40 0 CDABHN CN(C)C(=O)CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1 ZINC000257217893 190014163 /nfs/dbraw/zinc/01/41/63/190014163.db2.gz DBAJZJNMWWMIQK-VHDGCEQUSA-N 0 3 289.379 1.259 40 0 CDABHN COC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218249904 375810016 /nfs/dbraw/zinc/81/00/16/375810016.db2.gz LHCVXGXKSRWKQN-IHRRRGAJSA-N 0 3 283.393 1.097 40 0 CDABHN CC(C)(C)OC(=O)NCc1ccc(N2CCNCC2)nc1 ZINC000072225503 256703608 /nfs/dbraw/zinc/70/36/08/256703608.db2.gz JKUZONPHSVZNBF-UHFFFAOYSA-N 0 3 292.383 1.516 40 0 CDABHN NC(=O)[C@@H](CNCc1ccccc1)NCc1ccccc1 ZINC000019369463 256810428 /nfs/dbraw/zinc/81/04/28/256810428.db2.gz HQQKBDUBEMNPQX-MRXNPFEDSA-N 0 3 283.375 1.420 40 0 CDABHN Cc1cc([C@@H](O)c2ccccc2)cnc1N1CCNCC1 ZINC000072222538 390623131 /nfs/dbraw/zinc/62/31/31/390623131.db2.gz LSBMCQMJSRTNHP-INIZCTEOSA-N 0 3 283.375 1.881 40 0 CDABHN CN(C)C(=O)CN1CC[C@@H]2[C@H]1CCN2Cc1ccccc1 ZINC000306134569 392106311 /nfs/dbraw/zinc/10/63/11/392106311.db2.gz NSGIZQMXZANKPL-HZPDHXFCSA-N 0 3 287.407 1.423 40 0 CDABHN CC[C@H](CO)NCc1ccc(OC)c(OC)c1OC ZINC000008337090 170331829 /nfs/dbraw/zinc/33/18/29/170331829.db2.gz QLNIKHSBMODHAF-LLVKDONJSA-N 0 3 269.341 1.573 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000022173812 171369424 /nfs/dbraw/zinc/36/94/24/171369424.db2.gz SVLWYWYUBOCXDQ-SGMGOOAPSA-N 0 3 294.395 1.813 40 0 CDABHN CN1CCC[C@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369333 176384262 /nfs/dbraw/zinc/38/42/62/176384262.db2.gz JAWQYQYPSLJCMC-LLVKDONJSA-N 0 3 274.368 1.253 40 0 CDABHN CC(C)(C)OC(=O)c1ccc(CCNCN)cc1 ZINC000077031594 177155948 /nfs/dbraw/zinc/15/59/48/177155948.db2.gz JBJDTPIPPYKWFD-UHFFFAOYSA-N 0 3 250.342 1.690 40 0 CDABHN O=C(C1CCC1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC000096157351 260563733 /nfs/dbraw/zinc/56/37/33/260563733.db2.gz UVTJEYNYWKDVQM-LSDHHAIUSA-N 0 3 256.349 1.884 40 0 CDABHN CN1CCO[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000063527695 277125707 /nfs/dbraw/zinc/12/57/07/277125707.db2.gz KBXKOPPVQNWHOL-INIZCTEOSA-N 0 3 260.381 1.983 40 0 CDABHN Cc1cc([C@H]2CCCCN2C(=O)CN)nc2ccnn21 ZINC000257228111 301421492 /nfs/dbraw/zinc/42/14/92/301421492.db2.gz FSIOTHDZXOQIDW-GFCCVEGCSA-N 0 3 273.340 1.050 40 0 CDABHN O=C1[C@H]2CN(Cc3ccco3)C[C@H]2CN1c1cncnc1 ZINC000096053648 185074653 /nfs/dbraw/zinc/07/46/53/185074653.db2.gz RDMWLIQJCHKTBK-FZMZJTMJSA-N 0 3 284.319 1.164 40 0 CDABHN CN(C)C[C@H]1CN(C(=O)C2CCC2)Cc2ccnn21 ZINC000585095182 342211341 /nfs/dbraw/zinc/21/13/41/342211341.db2.gz ILLAHJXWZSMAAZ-ZDUSSCGKSA-N 0 3 262.357 1.128 40 0 CDABHN Cn1ccnc1-c1cnc(C2CCN(C)CC2)cn1 ZINC000257297314 282739020 /nfs/dbraw/zinc/73/90/20/282739020.db2.gz RGSVZXCZFXXSGC-UHFFFAOYSA-N 0 3 257.341 1.686 40 0 CDABHN Cc1cccc(Cc2nsc(N3CCNCC3)n2)c1 ZINC000035954938 356853110 /nfs/dbraw/zinc/85/31/10/356853110.db2.gz ZHFYATNNFBCYAM-UHFFFAOYSA-N 0 3 274.393 1.847 40 0 CDABHN CC(C)Oc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000073743352 356933607 /nfs/dbraw/zinc/93/36/07/356933607.db2.gz MYUXPWRTXWZVIC-UHFFFAOYSA-N 0 3 293.367 1.090 40 0 CDABHN CN(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390835 356988080 /nfs/dbraw/zinc/98/80/80/356988080.db2.gz LADUAHKPGKUSMG-QWRGUYRKSA-N 0 3 285.388 1.239 40 0 CDABHN C[C@H](N)C(=O)N(Cc1cnc(Cl)s1)C1CC1 ZINC000079422117 356996774 /nfs/dbraw/zinc/99/67/74/356996774.db2.gz ATLQKQVRZJDXEL-LURJTMIESA-N 0 3 259.762 1.635 40 0 CDABHN Cn1c(C2CCN(C(=O)CN)CC2)cc2ccccc21 ZINC000095098049 357220585 /nfs/dbraw/zinc/22/05/85/357220585.db2.gz BNBYNPIJBGESGV-UHFFFAOYSA-N 0 3 271.364 1.843 40 0 CDABHN COc1ccc(CC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000027931977 357276252 /nfs/dbraw/zinc/27/62/52/357276252.db2.gz RDIRRJSJANXWES-AWEZNQCLSA-N 0 3 274.364 1.544 40 0 CDABHN N=C(N)c1c(F)cccc1I ZINC000199760000 358090478 /nfs/dbraw/zinc/09/04/78/358090478.db2.gz CZSUJNQISCMCNK-UHFFFAOYSA-N 0 3 264.041 1.714 40 0 CDABHN Cc1cccc(CN2CCC3(CCNC3=O)CC2)n1 ZINC000096157707 358709967 /nfs/dbraw/zinc/70/99/67/358709967.db2.gz YORUOFSPUJHAAN-UHFFFAOYSA-N 0 3 259.353 1.492 40 0 CDABHN CN(C)CCO[C@H]1CN(Cc2ccoc2)[C@@H]2COC[C@H]12 ZINC000096184984 358713843 /nfs/dbraw/zinc/71/38/43/358713843.db2.gz TYOTVWDQLRXSSH-ZNMIVQPWSA-N 0 3 280.368 1.057 40 0 CDABHN CN(C)C[C@H]1CCC[C@]2(CCN(C(=O)c3ccoc3)C2)O1 ZINC000096209245 358720793 /nfs/dbraw/zinc/72/07/93/358720793.db2.gz BDWCZWAKRGITDF-GDBMZVCRSA-N 0 3 292.379 1.995 40 0 CDABHN c1cnc(NCc2[nH]nc3c2CCN(CC2CC2)C3)nc1 ZINC000096255863 358728807 /nfs/dbraw/zinc/72/88/07/358728807.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 0 3 284.367 1.580 40 0 CDABHN c1cnc(NCc2n[nH]c3c2CCN(CC2CC2)C3)nc1 ZINC000096255863 358728809 /nfs/dbraw/zinc/72/88/09/358728809.db2.gz KKBPBSYQWZIZMY-UHFFFAOYSA-N 0 3 284.367 1.580 40 0 CDABHN CN1CCC[C@]2(C1)CN(C(=O)C1CCCCC1)CCO2 ZINC000096268589 358730883 /nfs/dbraw/zinc/73/08/83/358730883.db2.gz PQAYDGUOERBNSR-INIZCTEOSA-N 0 3 280.412 1.890 40 0 CDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1 ZINC000514289243 360125400 /nfs/dbraw/zinc/12/54/00/360125400.db2.gz KCHOENFMINYOEQ-JKSUJKDBSA-N 0 3 293.455 1.000 40 0 biogenic,in-vitro CDABHN O[C@@H](CNC1CC1)c1ncccc1Br ZINC000217530388 364044050 /nfs/dbraw/zinc/04/40/50/364044050.db2.gz LYDKFXBAHAKAOP-VIFPVBQESA-N 0 3 257.131 1.630 40 0 CDABHN CS[C@H]1CCC[C@H]1N(C)CC(=O)NCc1cccnc1 ZINC000076146343 367003773 /nfs/dbraw/zinc/00/37/73/367003773.db2.gz DWXKTPNKHXATGG-KGLIPLIRSA-N 0 3 293.436 1.914 40 0 CDABHN Cn1ccc(CN2CCNC[C@@H]2c2ccccc2)n1 ZINC000212045299 376207157 /nfs/dbraw/zinc/20/71/57/376207157.db2.gz GZYMBJGNCRHUEQ-OAHLLOKOSA-N 0 3 256.353 1.567 40 0 CDABHN O=S(=O)(c1cc(F)c(F)cc1F)N1CCCNCC1 ZINC000225477771 374484017 /nfs/dbraw/zinc/48/40/17/374484017.db2.gz RZOBPGRVKCJTSD-UHFFFAOYSA-N 0 3 294.298 1.088 40 0 CDABHN CNCC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)C ZINC000225635470 375175486 /nfs/dbraw/zinc/17/54/86/375175486.db2.gz AMWHYKADSBYIRT-ZDUSSCGKSA-N 0 3 256.296 1.998 40 0 CDABHN Cc1c[nH]nc1C[C@H]1CCCN(Cc2cnc[nH]2)C1 ZINC000257253012 190020542 /nfs/dbraw/zinc/02/05/42/190020542.db2.gz JXFZUYAFAUABJV-GFCCVEGCSA-N 0 3 259.357 1.896 40 0 CDABHN CCCNC(=O)c1cc([C@@H]2CCCN(C)C2)nc(C)n1 ZINC000257236878 190017752 /nfs/dbraw/zinc/01/77/52/190017752.db2.gz HEDVNPXRPYOCQE-GFCCVEGCSA-N 0 3 276.384 1.734 40 0 CDABHN CCOCCN1CCC(c2nccnc2CN(C)C)CC1 ZINC000257344593 190037636 /nfs/dbraw/zinc/03/76/36/190037636.db2.gz ZXYGRWXSUSZEOW-UHFFFAOYSA-N 0 3 292.427 1.754 40 0 CDABHN O=C(NCC1CC1)[C@]12COC[C@H]1CN(Cc1ccoc1)C2 ZINC000096206322 256823790 /nfs/dbraw/zinc/82/37/90/256823790.db2.gz UMFZVDMIBCCJDD-GDBMZVCRSA-N 0 3 290.363 1.254 40 0 CDABHN Cc1nc(N2CCNCC2)ccc1[C@H](O)c1ccccc1 ZINC000072224624 390624823 /nfs/dbraw/zinc/62/48/23/390624823.db2.gz MSAZOEASBUKZDX-QGZVFWFLSA-N 0 3 283.375 1.881 40 0 CDABHN CS[C@H]1CCC[C@H]1N(C)CC(=O)N1CCOCC1 ZINC000076147203 392550671 /nfs/dbraw/zinc/55/06/71/392550671.db2.gz PRPJFNRITHLYGP-NEPJUHHUSA-N 0 3 272.414 1.061 40 0 CDABHN O=C1O[C@]2(CN1c1ccc(Cl)cc1)CNCCOC2 ZINC000257242229 392978411 /nfs/dbraw/zinc/97/84/11/392978411.db2.gz IBPFLVNZESBPCE-ZDUSSCGKSA-N 0 3 282.727 1.655 40 0 CDABHN CCOCCCNCC(=O)Nc1ccccc1F ZINC000004894707 170037448 /nfs/dbraw/zinc/03/74/48/170037448.db2.gz WDKKHXYJAYHUIV-UHFFFAOYSA-N 0 3 254.305 1.780 40 0 CDABHN CCOC(=O)C1CN(C2CCCCC2)CCC1=O ZINC000005052209 170061700 /nfs/dbraw/zinc/06/17/00/170061700.db2.gz BWZZQXMAXGUYQV-GFCCVEGCSA-N 0 3 253.342 1.773 40 0 CDABHN COc1ccc(OC)c([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000022162132 171364063 /nfs/dbraw/zinc/36/40/63/171364063.db2.gz QTTXXVGVYBTEEU-SLEUVZQESA-N 0 3 294.395 1.813 40 0 CDABHN COc1ccc([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000022174872 171369870 /nfs/dbraw/zinc/36/98/70/171369870.db2.gz SDSLHHOEKIAOFX-SLEUVZQESA-N 0 3 264.369 1.804 40 0 CDABHN CCN(CC)CCN[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000022586302 171393449 /nfs/dbraw/zinc/39/34/49/171393449.db2.gz RWJXPEUSNOGBLG-AWEZNQCLSA-N 0 3 269.433 1.565 40 0 CDABHN OCCN1CCC[C@H](c2cnc(Nc3ccccn3)cn2)C1 ZINC000072361628 176377428 /nfs/dbraw/zinc/37/74/28/176377428.db2.gz DINJBUVFGRUTJQ-ZDUSSCGKSA-N 0 3 299.378 1.787 40 0 CDABHN Cn1ccnc1CNc1cncc([C@H]2CCCN(C)C2)n1 ZINC000072365426 176380699 /nfs/dbraw/zinc/38/06/99/176380699.db2.gz YILAZSLNWVJNGD-LBPRGKRZSA-N 0 3 286.383 1.631 40 0 CDABHN Cc1nc(CCC(N)=O)cc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072366369 176381174 /nfs/dbraw/zinc/38/11/74/176381174.db2.gz VVSIZUPTTOQHOA-ZDUSSCGKSA-N 0 3 290.411 1.791 40 0 CDABHN CN(CCN1CCCCC1)C(=O)c1cc(C2CC2)nn1C ZINC000072398013 176395962 /nfs/dbraw/zinc/39/59/62/176395962.db2.gz GUQDECNIGPKIER-UHFFFAOYSA-N 0 3 290.411 1.855 40 0 CDABHN CC(C)N(CCO)Cc1ccc2c(c1)OCCO2 ZINC000079421381 177487877 /nfs/dbraw/zinc/48/78/77/177487877.db2.gz STPVDXZIZYEWGB-UHFFFAOYSA-N 0 3 251.326 1.661 40 0 CDABHN CCSc1ncc(CNCCCCCO)cn1 ZINC000062717330 262298948 /nfs/dbraw/zinc/29/89/48/262298948.db2.gz XRRJBGOAQGFTSN-UHFFFAOYSA-N 0 3 255.387 1.841 40 0 CDABHN Cc1cccc(NC(=S)NC2CCN(C)CC2)n1 ZINC000063144904 274795099 /nfs/dbraw/zinc/79/50/99/274795099.db2.gz NAGVWXQJMRFORH-UHFFFAOYSA-N 0 3 264.398 1.771 40 0 CDABHN Cc1cc(-c2cc3[nH]c4c(c(=O)n3n2)CNCC4)c(C)o1 ZINC000100226872 278618614 /nfs/dbraw/zinc/61/86/14/278618614.db2.gz NUUXEWPQMYGPAI-UHFFFAOYSA-N 0 3 284.319 1.957 40 0 CDABHN CCCNc1ncc(CNCCOc2ccccn2)cn1 ZINC000062717731 333176145 /nfs/dbraw/zinc/17/61/45/333176145.db2.gz CCELBOMJMPEJNA-UHFFFAOYSA-N 0 3 287.367 1.862 40 0 CDABHN Cn1cc2c(n1)[C@H](CNCc1ccc(F)cc1)OCC2 ZINC000096059684 185080531 /nfs/dbraw/zinc/08/05/31/185080531.db2.gz HRISJGUHCDCJDH-AWEZNQCLSA-N 0 3 275.327 1.963 40 0 CDABHN c1cnc(N2C[C@@H]3CN(Cc4ccncc4)C[C@H]3C2)nc1 ZINC000096110662 185101022 /nfs/dbraw/zinc/10/10/22/185101022.db2.gz SYONVFYXOKCHRI-GJZGRUSLSA-N 0 3 281.363 1.440 40 0 CDABHN COCCN1CCC[C@H](c2cncc(-c3cc[nH]n3)n2)C1 ZINC000585177422 342232382 /nfs/dbraw/zinc/23/23/82/342232382.db2.gz IRVCOPMRHSVGHH-LBPRGKRZSA-N 0 3 287.367 1.693 40 0 CDABHN CCN1CCCN(C(=O)c2ccc(N(C)C)nc2)CC1 ZINC000079333118 362163323 /nfs/dbraw/zinc/16/33/23/362163323.db2.gz ZTARSYZIUBHVBV-UHFFFAOYSA-N 0 3 276.384 1.315 40 0 CDABHN C[C@H]1CN(c2cncc(C3CCN(C)CC3)n2)C(=O)O1 ZINC000257293127 362583690 /nfs/dbraw/zinc/58/36/90/362583690.db2.gz QOGOJLLQLDLIQF-JTQLQIEISA-N 0 3 276.340 1.631 40 0 CDABHN Cc1nccc(CN2CCNC[C@H]2c2ccccc2)n1 ZINC000086177594 179246632 /nfs/dbraw/zinc/24/66/32/179246632.db2.gz SDJNAZZYQAAHLC-INIZCTEOSA-N 0 3 268.364 1.932 40 0 CDABHN CN1CCC(C(=O)NCc2ccccc2-n2ccnc2)CC1 ZINC000091211698 180112457 /nfs/dbraw/zinc/11/24/57/180112457.db2.gz DHVRTNVTMAQOKU-UHFFFAOYSA-N 0 3 298.390 1.830 40 0 CDABHN O=C1C[C@@H]2[C@@H](CCN2Cc2ccncc2)N1CC1CC1 ZINC000107800106 186191083 /nfs/dbraw/zinc/19/10/83/186191083.db2.gz KOYGPXBKSNQJAG-HUUCEWRRSA-N 0 3 271.364 1.667 40 0 CDABHN CCc1ncc(CN2CCC[C@@](C)(C(=O)NC)C2)cn1 ZINC000019745943 356499453 /nfs/dbraw/zinc/49/94/53/356499453.db2.gz UYTRBIDPWGCJIV-OAHLLOKOSA-N 0 3 276.384 1.387 40 0 CDABHN CN(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079390846 356988496 /nfs/dbraw/zinc/98/84/96/356988496.db2.gz LADUAHKPGKUSMG-WDEREUQCSA-N 0 3 285.388 1.239 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCN(CCO)C1 ZINC000079408172 356992098 /nfs/dbraw/zinc/99/20/98/356992098.db2.gz MQNCGLNIDFGQDD-LBPRGKRZSA-N 0 3 270.373 1.453 40 0 CDABHN O=c1cc2c(nn1CCc1ccccc1)CCNC2 ZINC000063169733 358569809 /nfs/dbraw/zinc/56/98/09/358569809.db2.gz LUIFPKRZFXJHSQ-UHFFFAOYSA-N 0 3 255.321 1.132 40 0 CDABHN CN1c2ccccc2C2(CCN([C@H]3CCOC3)CC2)C1=O ZINC000096161105 358711172 /nfs/dbraw/zinc/71/11/72/358711172.db2.gz UDTULECGZPIERD-ZDUSSCGKSA-N 0 3 286.375 1.786 40 0 CDABHN O=C1CCC2(CCN(CCO)CC2)N1Cc1ccccc1 ZINC000096228321 358724125 /nfs/dbraw/zinc/72/41/25/358724125.db2.gz KJHAROFAIISRDY-UHFFFAOYSA-N 0 3 288.391 1.636 40 0 CDABHN CCOc1cc(N2CCN[C@H](C)C2)nc(SC)n1 ZINC000079439715 374405599 /nfs/dbraw/zinc/40/55/99/374405599.db2.gz UGENQPYGUGLMIZ-SECBINFHSA-N 0 3 268.386 1.395 40 0 CDABHN CN(CCCCCF)C[C@@H]1CCS(=O)(=O)C1 ZINC000225466673 374466777 /nfs/dbraw/zinc/46/67/77/374466777.db2.gz LXBNTXSYHJIFMI-NSHDSACASA-N 0 3 251.367 1.493 40 0 CDABHN CN(C[C@H](O)c1cncc(Br)c1)C1CC1 ZINC000217527471 375663638 /nfs/dbraw/zinc/66/36/38/375663638.db2.gz QMNLGIHFPQRZGT-NSHDSACASA-N 0 3 271.158 1.972 40 0 CDABHN COc1ccc([C@H]2CNCCN2Cc2ncc[nH]2)cc1 ZINC000257228422 190016250 /nfs/dbraw/zinc/01/62/50/190016250.db2.gz FTUGYZDHXBSJGP-CQSZACIVSA-N 0 3 272.352 1.565 40 0 CDABHN O[C@H]1CN(Cc2cccc3cccnc32)C[C@@]12CCCO2 ZINC000257231995 190017304 /nfs/dbraw/zinc/01/73/04/190017304.db2.gz GIXXTTABFWQCLU-RDJZCZTQSA-N 0 3 284.359 1.961 40 0 CDABHN Cc1nc[nH]c1CN1CCNC[C@H]1c1ccccc1 ZINC000257251010 190019737 /nfs/dbraw/zinc/01/97/37/190019737.db2.gz JPAFUHPQEBEJJI-HNNXBMFYSA-N 0 3 256.353 1.865 40 0 CDABHN Cn1nccc1-c1cncc([C@@H]2CCCN(C)C2)n1 ZINC000257280241 190025789 /nfs/dbraw/zinc/02/57/89/190025789.db2.gz OKBABXXUQRVQFK-LLVKDONJSA-N 0 3 257.341 1.686 40 0 CDABHN OCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1 ZINC000067897712 377286049 /nfs/dbraw/zinc/28/60/49/377286049.db2.gz JMPMMXCMJZEQTR-UHFFFAOYSA-N 0 3 292.379 1.600 40 0 biogenic,in-vitro CDABHN CN1CCC[C@]2(C1)CN(Cc1ccccn1)CCO2 ZINC000063527611 378303722 /nfs/dbraw/zinc/30/37/22/378303722.db2.gz WEBPVNWBWXWIQU-HNNXBMFYSA-N 0 3 261.369 1.378 40 0 CDABHN Cc1nc(NCC2CC2)nc2c1COC[C@@]21CCN(C)C1 ZINC000096080399 398070353 /nfs/dbraw/zinc/07/03/53/398070353.db2.gz NSOZOWPWPDCKQC-INIZCTEOSA-N 0 3 288.395 1.710 40 0 CDABHN C[C@H](C(=O)N1CC[C@@H](N2CCCC2)C1)c1cccnc1 ZINC000174520659 147946423 /nfs/dbraw/zinc/94/64/23/147946423.db2.gz BSHIXJITHRYPSC-DZGCQCFKSA-N 0 3 273.380 1.882 40 0 CDABHN CCOC(=O)C[C@@H](N)c1cc(OC)c(OC)c(OC)c1 ZINC000020577662 171256580 /nfs/dbraw/zinc/25/65/80/171256580.db2.gz HAEMIHPDALVYLV-SNVBAGLBSA-N 0 3 283.324 1.665 40 0 CDABHN O=C(NCC1CCN(Cc2ccco2)CC1)NC1CC1 ZINC000038489579 174142501 /nfs/dbraw/zinc/14/25/01/174142501.db2.gz SLQOSNQIIWYJHE-UHFFFAOYSA-N 0 3 277.368 1.953 40 0 CDABHN CN1CCC[C@@H](Cc2cnc(C(=O)NC3CC3)cn2)C1 ZINC000072369334 176384131 /nfs/dbraw/zinc/38/41/31/176384131.db2.gz JAWQYQYPSLJCMC-NSHDSACASA-N 0 3 274.368 1.253 40 0 CDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc(F)cc(F)c1 ZINC000072397681 176395073 /nfs/dbraw/zinc/39/50/73/176395073.db2.gz WQIPPZZZQOEEBA-WKPIXPDZSA-N 0 3 282.334 1.604 40 0 CDABHN CC(C)(C)OC(=O)N(C1CC1)C1CCN(C(=O)CN)CC1 ZINC000079409381 278377050 /nfs/dbraw/zinc/37/70/50/278377050.db2.gz IWNDHTLYPMTUMH-UHFFFAOYSA-N 0 3 297.399 1.336 40 0 CDABHN CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100178085 288801759 /nfs/dbraw/zinc/80/17/59/288801759.db2.gz RFPRTBTZPXIJMC-PHIMTYICSA-N 0 3 285.388 1.239 40 0 CDABHN CCn1cncc1CN(C)CCN1CCCCC1 ZINC000072398250 523573717 /nfs/dbraw/zinc/57/37/17/523573717.db2.gz NMQNZZISQGXPLZ-UHFFFAOYSA-N 0 3 250.390 1.821 40 0 CDABHN COc1cc(CC(N)=[NH2+])cc(Br)c1[O-] ZINC000228936210 570372965 /nfs/dbraw/zinc/37/29/65/570372965.db2.gz SLRPTIBWCGTTLL-UHFFFAOYSA-N 0 3 259.103 1.642 40 0 CDABHN CC(C)N1CCC[C@@H](N[C@]23C[C@H]2COC32CCC2)C1=O ZINC000933391723 617413779 /nfs/dbraw/zinc/41/37/79/617413779.db2.gz FYDYLTVDHGCSNN-WOSRLPQWSA-N 0 3 278.396 1.687 40 0 CDABHN