smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)N1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079412539 185170305 /nfs/dbraw/zinc/17/03/05/185170305.db2.gz CCIDDRCQBWFLIE-HNNXBMFYSA-N 0 3 317.389 1.347 40 0 DDABHN CN(C)C(=O)NC[C@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12 ZINC000306141128 231090031 /nfs/dbraw/zinc/09/00/31/231090031.db2.gz VLWOITDBNBMNSJ-GVDBMIGSSA-N 0 3 317.433 1.447 40 0 DDABHN NCCN[C@@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000073633133 191333307 /nfs/dbraw/zinc/33/33/07/191333307.db2.gz GHUKAGGAUSLWNS-INIZCTEOSA-N 0 3 304.415 1.750 40 0 DDABHN Cc1nc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)ccc2[nH]1 ZINC000257307489 203032065 /nfs/dbraw/zinc/03/20/65/203032065.db2.gz SYVILZDEJMFUQQ-HZPDHXFCSA-N 0 3 314.389 1.152 40 0 DDABHN COCCN1CCOCC2(CC(Cc3nc(N)ncc3F)C2)C1 ZINC000257310757 203034947 /nfs/dbraw/zinc/03/49/47/203034947.db2.gz UGKLEGPHPNBIKW-UHFFFAOYSA-N 0 3 324.400 1.115 40 0 DDABHN CNCC(=O)N1CCC[C@@]1(C)c1nc(C)cc(C(F)(F)F)n1 ZINC000257343497 203064133 /nfs/dbraw/zinc/06/41/33/203064133.db2.gz ZTGKEQFNWQYVSR-ZDUSSCGKSA-N 0 3 316.327 1.861 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000252515166 257106403 /nfs/dbraw/zinc/10/64/03/257106403.db2.gz HSKRTJBWZWQIEF-MGPQQGTHSA-N 0 3 317.838 1.832 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)COC ZINC000218467171 257130490 /nfs/dbraw/zinc/13/04/90/257130490.db2.gz FQJUQKKVUJOQFL-MGPQQGTHSA-N 0 3 317.838 1.832 40 0 DDABHN CCS(=O)(=O)[C@H]1CC[C@@](CN)(NC(=O)OC(C)(C)C)C1 ZINC000217948493 257131227 /nfs/dbraw/zinc/13/12/27/257131227.db2.gz DHSJUDWNALRYAX-GXFFZTMASA-N 0 3 306.428 1.196 40 0 DDABHN CN1C(=O)c2cccnc2O[C@H]2CN(CC3CCCC3)C[C@H]21 ZINC000514290208 257215417 /nfs/dbraw/zinc/21/54/17/257215417.db2.gz VUXQRXVFGUOVJK-CABCVRRESA-N 0 3 301.390 1.789 40 0 biogenic,in-vitro DDABHN COCC(=O)Nc1ccc(-c2noc([C@@H]3CCCN3)n2)cn1 ZINC000035425711 406972028 /nfs/dbraw/zinc/97/20/28/406972028.db2.gz QTUSKWCUOGBPHY-JTQLQIEISA-N 0 3 303.322 1.141 40 0 biogenic,in-vitro DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@H]2OC ZINC000096209319 407251056 /nfs/dbraw/zinc/25/10/56/407251056.db2.gz XSYRRFSSVKNQNL-ARFHVFGLSA-N 0 3 310.463 1.916 40 0 DDABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccncc3)C2)O1 ZINC000096052300 407228537 /nfs/dbraw/zinc/22/85/37/407228537.db2.gz ICJZIWPIGQDQOU-SJORKVTESA-N 0 3 305.422 1.393 40 0 DDABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000096049734 407228545 /nfs/dbraw/zinc/22/85/45/407228545.db2.gz QIBDBACFVRQNPX-QGZVFWFLSA-N 0 3 305.422 1.393 40 0 DDABHN Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)n1 ZINC000096053760 407229159 /nfs/dbraw/zinc/22/91/59/407229159.db2.gz QJUXOOCXDQTZQK-IRXDYDNUSA-N 0 3 322.412 1.989 40 0 DDABHN CN(C)C(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc(F)cc1)C2 ZINC000096064824 407232562 /nfs/dbraw/zinc/23/25/62/407232562.db2.gz FUDUGBVAMJDUAK-NVXWUHKLSA-N 0 3 306.381 1.895 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccc(C)o1)CC[C@@H]2OC ZINC000096109420 407238154 /nfs/dbraw/zinc/23/81/54/407238154.db2.gz BHUIVLPQQVXPIZ-BBWFWOEESA-N 0 3 308.422 1.756 40 0 DDABHN CN(C)CCOC[C@@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000096188956 407246571 /nfs/dbraw/zinc/24/65/71/407246571.db2.gz DZAGDDQGTJKPFN-INIZCTEOSA-N 0 3 318.421 1.686 40 0 DDABHN C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN([C@H]1CCOC1)CC2 ZINC000107208257 407370910 /nfs/dbraw/zinc/37/09/10/407370910.db2.gz KOJMXNNWQJMJLY-RYUDHWBXSA-N 0 3 304.394 1.181 40 0 DDABHN Cc1cccnc1CN1CCC2(CC(NS(C)(=O)=O)C2)CC1 ZINC000108526970 407387462 /nfs/dbraw/zinc/38/74/62/407387462.db2.gz MFXKGKAGQWCKCG-UHFFFAOYSA-N 0 3 323.462 1.684 40 0 DDABHN Cc1cc(N2CC3(CCOCC3)OC2=O)nc([C@H]2CCCN2)n1 ZINC000257234239 407509919 /nfs/dbraw/zinc/50/99/19/407509919.db2.gz GSSBLSONVWZVMP-GFCCVEGCSA-N 0 3 318.377 1.715 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccc(C)nc2)c1 ZINC000257235471 407510910 /nfs/dbraw/zinc/51/09/10/407510910.db2.gz GXZSIPIYHSTXJM-GOSISDBHSA-N 0 3 324.428 1.896 40 0 DDABHN Cc1[nH]ncc1CN1CCOC[C@H]1c1nc(C)cc(N(C)C)n1 ZINC000257268233 407530692 /nfs/dbraw/zinc/53/06/92/407530692.db2.gz MKTRLNBRHRIWBM-AWEZNQCLSA-N 0 3 316.409 1.456 40 0 DDABHN CCN(C[C@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412392 185170191 /nfs/dbraw/zinc/17/01/91/185170191.db2.gz MUJZZCOORHWTRQ-OAHLLOKOSA-N 0 3 319.405 1.452 40 0 DDABHN CC(C)CC(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019446411 182123471 /nfs/dbraw/zinc/12/34/71/182123471.db2.gz UFBYPWRJEQIBEJ-CYBMUJFWSA-N 0 3 302.422 1.874 40 0 DDABHN COCCC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019588268 182132412 /nfs/dbraw/zinc/13/24/12/182132412.db2.gz WAUKSDIJATZDQE-UHFFFAOYSA-N 0 3 318.421 1.207 40 0 DDABHN CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCC(N)=O ZINC000008253774 406781658 /nfs/dbraw/zinc/78/16/58/406781658.db2.gz WTMAZLURUGPJFY-SECBINFHSA-N 0 3 316.785 1.073 40 0 DDABHN COC[C@@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000072343701 406881602 /nfs/dbraw/zinc/88/16/02/406881602.db2.gz WHWOBLLWALHJLP-OAHLLOKOSA-N 0 3 308.397 1.795 40 0 DDABHN COC(=O)[C@@H](C)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622893 406974439 /nfs/dbraw/zinc/97/44/39/406974439.db2.gz QDXPEJJDZLXRNQ-RYUDHWBXSA-N 0 3 300.399 1.785 40 0 DDABHN CN(C)CCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 ZINC000030753700 406934650 /nfs/dbraw/zinc/93/46/50/406934650.db2.gz OTNXEJZVQSXEJO-UHFFFAOYSA-N 0 3 319.814 1.003 40 0 DDABHN C=CC(=O)N1CCC2(CCC(=O)N2CCN2CCCC2)CC1 ZINC000096228140 407253735 /nfs/dbraw/zinc/25/37/35/407253735.db2.gz PSTQXQXXBJSONL-UHFFFAOYSA-N 0 3 305.422 1.252 40 0 DDABHN O=C(c1ccccn1)N1CCC2(CC1)COCCN2CC1CC1 ZINC000096226211 407253893 /nfs/dbraw/zinc/25/38/93/407253893.db2.gz QGBWDJQFIXSNCD-UHFFFAOYSA-N 0 3 315.417 1.799 40 0 DDABHN CCN1CCN(C)C(=O)C12CCN(Cc1cccs1)CC2 ZINC000096230241 407254337 /nfs/dbraw/zinc/25/43/37/407254337.db2.gz RKSPVMXMPCSEMU-UHFFFAOYSA-N 0 3 307.463 1.877 40 0 DDABHN Cc1noc(C)c1CN1CCC2(CC[C@H](C(=O)N(C)C)O2)CC1 ZINC000096111110 407239034 /nfs/dbraw/zinc/23/90/34/407239034.db2.gz WIYXJACYZMLQKI-OAHLLOKOSA-N 0 3 321.421 1.893 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CCN(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000096185399 407244619 /nfs/dbraw/zinc/24/46/19/407244619.db2.gz TWIPIWRNTRTTAR-CWRNSKLLSA-N 0 3 324.446 1.274 40 0 DDABHN O=C(CC1CC1)NCc1cnc2n1CCN(CC1CC1)CC2 ZINC000096197047 407247590 /nfs/dbraw/zinc/24/75/90/407247590.db2.gz VZPLNJKYURZTTR-UHFFFAOYSA-N 0 3 302.422 1.568 40 0 DDABHN COc1ccc(CN2CCCc3c(c(=O)n(C)n3C)C2)cc1 ZINC000096201042 407248887 /nfs/dbraw/zinc/24/88/87/407248887.db2.gz UUMUBEFJTNEEPR-UHFFFAOYSA-N 0 3 301.390 1.681 40 0 DDABHN Cc1nnc(C[C@@H]2COC[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)o1 ZINC000097953565 407304010 /nfs/dbraw/zinc/30/40/10/407304010.db2.gz RICBKCRQAYQCQF-KFWWJZLASA-N 0 3 317.393 1.049 40 0 DDABHN Cc1c[nH]c([C@@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)n1 ZINC000257262332 407526476 /nfs/dbraw/zinc/52/64/76/407526476.db2.gz LKZAQVBXSUOICJ-ZDUSSCGKSA-N 0 3 306.410 1.350 40 0 DDABHN O=C(CO[C@H]1Cn2cccc2CN(CC2CC2)C1)N1CCCC1 ZINC000247756113 408508491 /nfs/dbraw/zinc/50/84/91/408508491.db2.gz ZNPWAOZMJWNGKZ-QGZVFWFLSA-N 0 3 317.433 1.721 40 0 DDABHN CCN1CCOC[C@@]2(CCCN(C(=O)C3CCOCC3)C2)C1 ZINC000096076830 279380509 /nfs/dbraw/zinc/38/05/09/279380509.db2.gz AQYUEDODGQTTIH-KRWDZBQOSA-N 0 3 310.438 1.374 40 0 DDABHN Cc1c[nH]c([C@@H]2COCCN2C(=O)CN2CCCCCC2)n1 ZINC000257253023 280279306 /nfs/dbraw/zinc/27/93/06/280279306.db2.gz JXHKKDVEYSULHW-AWEZNQCLSA-N 0 3 306.410 1.494 40 0 DDABHN Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3cccs3)[C@@H]2O)c1 ZINC000952844626 775566145 /nfs/dbraw/zinc/56/61/45/775566145.db2.gz CGHHLUMIPQUQSM-ARILJUKYSA-N 0 3 321.402 1.069 40 0 biogenic,in-vitro DDABHN C[C@H](N)C(=O)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391329 185168135 /nfs/dbraw/zinc/16/81/35/185168135.db2.gz KECOKIOBLSVCLT-WCQYABFASA-N 0 3 311.426 1.724 40 0 DDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393072 185168983 /nfs/dbraw/zinc/16/89/83/185168983.db2.gz BXEBNNKBZYDGEF-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN CN1C[C@@H]2CN(C(=O)c3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000253401506 186307260 /nfs/dbraw/zinc/30/72/60/186307260.db2.gz NBZKZFDFWJEITH-OAHLLOKOSA-N 0 3 305.397 1.676 40 0 biogenic,in-vitro DDABHN CCc1nccn1-c1cncc([C@H]2CCCN(CCO)C2)n1 ZINC000072355525 191130666 /nfs/dbraw/zinc/13/06/66/191130666.db2.gz NZXIRLDXOANROH-ZDUSSCGKSA-N 0 3 301.394 1.396 40 0 DDABHN COc1ccc(C(=O)N2CCO[C@@]3(CCCN(C)C3)C2)cc1 ZINC000063527664 184284881 /nfs/dbraw/zinc/28/48/81/184284881.db2.gz JEAHMKFDJLFPBD-QGZVFWFLSA-N 0 3 304.390 1.632 40 0 DDABHN COc1cc(OC)c([C@H](CN)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000062712686 257128820 /nfs/dbraw/zinc/12/88/20/257128820.db2.gz IUPYXDQHHMQQBS-BZPMIXESSA-N 0 3 324.421 1.821 40 0 DDABHN Cc1ccc([C@@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 ZINC000006522685 292202593 /nfs/dbraw/zinc/20/25/93/292202593.db2.gz JDDYFRSDPUEBLF-GOSISDBHSA-N 0 3 315.413 1.584 40 0 DDABHN CC(C)(C)OC[C@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000000489220 406651212 /nfs/dbraw/zinc/65/12/12/406651212.db2.gz SKKYDNDIAARCMO-RRFJBIMHSA-N 0 3 320.433 1.443 40 0 DDABHN CCOc1cc(CNCCOC)cc(Cl)c1OCC(N)=O ZINC000008253765 406781456 /nfs/dbraw/zinc/78/14/56/406781456.db2.gz XUOGMUVZGWYSNX-UHFFFAOYSA-N 0 3 316.785 1.339 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096228760 407254085 /nfs/dbraw/zinc/25/40/85/407254085.db2.gz PFGAMIAJEQKSHE-QGZVFWFLSA-N 0 3 320.437 1.383 40 0 DDABHN Cn1cc(N2C[C@@H]3CN(Cc4cccs4)C[C@@H]3C2=O)cn1 ZINC000096245241 407254541 /nfs/dbraw/zinc/25/45/41/407254541.db2.gz YTUFFGNZGSIGFG-FZMZJTMJSA-N 0 3 302.403 1.576 40 0 DDABHN COc1ccc(CN2C[C@@H]3C(=O)N(c4cncnc4)C[C@@H]3C2)cc1 ZINC000096245209 407254878 /nfs/dbraw/zinc/25/48/78/407254878.db2.gz REAYRGLKTOVARH-YOEHRIQHSA-N 0 3 324.384 1.580 40 0 DDABHN COCCN1CC[C@H]2CN(Cc3ccc(F)cc3)C[C@@H]2C1=O ZINC000096054616 407229933 /nfs/dbraw/zinc/22/99/33/407229933.db2.gz PQPHXKPSSVADID-HOCLYGCPSA-N 0 3 306.381 1.752 40 0 DDABHN CC(=O)c1ccc(NC(=O)C2=NO[C@@]3(C2)CCCNC3)cc1 ZINC000096088491 407236022 /nfs/dbraw/zinc/23/60/22/407236022.db2.gz ZOJWKXDQUQUDHU-MRXNPFEDSA-N 0 3 301.346 1.726 40 0 DDABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1cccs1)C2 ZINC000096108291 407237343 /nfs/dbraw/zinc/23/73/43/407237343.db2.gz BGMQBRZWPOXWBB-DOMZBBRYSA-N 0 3 309.435 1.468 40 0 DDABHN Cc1ccc2nc3n(c2c1)[C@@H](CNCc1cnn(C)c1)COC3 ZINC000096112837 407239052 /nfs/dbraw/zinc/23/90/52/407239052.db2.gz DUVNNKCUXWOOJM-AWEZNQCLSA-N 0 3 311.389 1.939 40 0 biogenic,in-vitro DDABHN Cn1cc(CN2C[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)cn1 ZINC000096182234 407243894 /nfs/dbraw/zinc/24/38/94/407243894.db2.gz HOXMWTZTAYHUIF-IYBDPMFKSA-N 0 3 311.389 1.019 40 0 DDABHN COCCN1CCc2ncc(CNc3ccccn3)n2CC1 ZINC000096197121 407247428 /nfs/dbraw/zinc/24/74/28/407247428.db2.gz GIBGOIIPTKFFFH-UHFFFAOYSA-N 0 3 301.394 1.395 40 0 DDABHN CN1CCC(NC2(Cc3cc(C(C)(C)C)on3)COC2)CC1 ZINC000067897848 407288884 /nfs/dbraw/zinc/28/88/84/407288884.db2.gz CYWITFMBJBNBDG-UHFFFAOYSA-N 0 3 307.438 1.967 40 0 biogenic,in-vitro DDABHN CC(C)CCNC1(Cc2cc(CN3CCOCC3)on2)COC1 ZINC000067898395 407289610 /nfs/dbraw/zinc/28/96/10/407289610.db2.gz PRIJWNFZIQOBJW-UHFFFAOYSA-N 0 3 323.437 1.454 40 0 biogenic,in-vitro DDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000257230182 407507232 /nfs/dbraw/zinc/50/72/32/407507232.db2.gz GBEUVVXRIHGQQZ-MRXNPFEDSA-N 0 3 310.825 1.798 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218073145 407511170 /nfs/dbraw/zinc/51/11/70/407511170.db2.gz QWCVETLFDNNJIP-KKUMJFAQSA-N 0 3 313.419 1.187 40 0 DDABHN COc1ccccc1[C@@H]1CNCCN1C(=O)CN1CCCC1 ZINC000257244964 407518688 /nfs/dbraw/zinc/51/86/88/407518688.db2.gz INMVPDPTQMSALH-HNNXBMFYSA-N 0 3 303.406 1.264 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)COC ZINC000218467267 407519399 /nfs/dbraw/zinc/51/93/99/407519399.db2.gz FQJUQKKVUJOQFL-HZSPNIEDSA-N 0 3 317.838 1.832 40 0 DDABHN COCCN1CCC(Cc2cncc(-c3ccnn3C)n2)CC1 ZINC000257283774 407530507 /nfs/dbraw/zinc/53/05/07/407530507.db2.gz OZUOFRPZRFDPOZ-UHFFFAOYSA-N 0 3 315.421 1.778 40 0 DDABHN O=C(CO[C@@H]1Cn2cccc2CN(CC2CC2)C1)N1CCCC1 ZINC000247756111 408507987 /nfs/dbraw/zinc/50/79/87/408507987.db2.gz ZNPWAOZMJWNGKZ-KRWDZBQOSA-N 0 3 317.433 1.721 40 0 DDABHN CC(=O)NC1CCN(c2ccc([C@H]3CCCN3C)nc2)CC1 ZINC000072365383 277025922 /nfs/dbraw/zinc/02/59/22/277025922.db2.gz SSKMKIMCSDLNOI-QGZVFWFLSA-N 0 3 302.422 1.953 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccc(Br)nc1 ZINC000079421658 185170600 /nfs/dbraw/zinc/17/06/00/185170600.db2.gz LSVYYDXSKVZHLM-NSHDSACASA-N 0 3 300.200 1.786 40 0 DDABHN C[C@H](N)C(=O)NCc1ccccc1I ZINC000079420886 185170804 /nfs/dbraw/zinc/17/08/04/185170804.db2.gz OABGYUMBLNJSQX-ZETCQYMHSA-N 0 3 304.131 1.255 40 0 DDABHN C[C@H](N)C(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000083318435 185221933 /nfs/dbraw/zinc/22/19/33/185221933.db2.gz XAEXRVSTRUUJFZ-GRTSSRMGSA-N 0 3 319.405 1.687 40 0 DDABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCN(C(=O)CN)C2)ncn1 ZINC000257284495 203011794 /nfs/dbraw/zinc/01/17/94/203011794.db2.gz PCXJSNNZNBVFHB-LBPRGKRZSA-N 0 3 315.377 1.098 40 0 DDABHN CNCC(=O)N1CCC2(CO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257341000 203062585 /nfs/dbraw/zinc/06/25/85/203062585.db2.gz ZIKPBKNLOYFHBW-INIZCTEOSA-N 0 3 320.408 1.985 40 0 DDABHN CCC(=O)N1CC[C@@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019498494 182126121 /nfs/dbraw/zinc/12/61/21/182126121.db2.gz FKNKYLNGYLOISE-CYBMUJFWSA-N 0 3 315.421 1.719 40 0 DDABHN CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)[C@@H](COC)OC ZINC000001646397 406674211 /nfs/dbraw/zinc/67/42/11/406674211.db2.gz LCUMRFCUJAIYHO-HZPDHXFCSA-N 0 3 324.421 1.797 40 0 DDABHN N[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001719792 406678296 /nfs/dbraw/zinc/67/82/96/406678296.db2.gz KGXGNCWRTGFTGA-HOTGVXAUSA-N 0 3 301.298 1.877 40 0 DDABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3cccs3)CC2)n1 ZINC000012187743 406839146 /nfs/dbraw/zinc/83/91/46/406839146.db2.gz ZYOJHFNLKAZLOE-UHFFFAOYSA-N 0 3 319.430 1.640 40 0 DDABHN CC(C)CN1CC[C@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225812 407252960 /nfs/dbraw/zinc/25/29/60/407252960.db2.gz OHXBJHMTAQQFMU-KRWDZBQOSA-N 0 3 316.405 1.575 40 0 DDABHN c1csc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)n1 ZINC000096054377 407229455 /nfs/dbraw/zinc/22/94/55/407229455.db2.gz MXZHGYHEUXZHTQ-CABCVRRESA-N 0 3 322.478 1.124 40 0 DDABHN c1cnn(CCCO[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CC2)c1 ZINC000096058036 407230726 /nfs/dbraw/zinc/23/07/26/407230726.db2.gz QZGKZIDIKZMWLJ-GVDBMIGSSA-N 0 3 305.422 1.932 40 0 DDABHN CCn1nnc2c1[C@H](COCCN(C)C)CN(CC1CC1)C2 ZINC000096060875 407231914 /nfs/dbraw/zinc/23/19/14/407231914.db2.gz PBCYHRRBGBOFSI-AWEZNQCLSA-N 0 3 307.442 1.185 40 0 DDABHN O=C(c1cscn1)N1CCC2(C1)CCN([C@@H]1CCOC1)CC2 ZINC000096157485 407241266 /nfs/dbraw/zinc/24/12/66/407241266.db2.gz UVDALFBDHYKDLK-CYBMUJFWSA-N 0 3 321.446 1.860 40 0 DDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108535729 407387494 /nfs/dbraw/zinc/38/74/94/407387494.db2.gz NIDQVABYGPPTRP-WMZOPIPTSA-N 0 3 316.449 1.939 40 0 DDABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2Cc2cncc(C)c2)C1 ZINC000257222262 407504208 /nfs/dbraw/zinc/50/42/08/407504208.db2.gz DSPCZXIYCQZRBZ-OKZBNKHCSA-N 0 3 317.433 1.584 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218470769 407518732 /nfs/dbraw/zinc/51/87/32/407518732.db2.gz NSWHTGUSYRGYPH-HRCADAONSA-N 0 3 311.447 1.741 40 0 DDABHN O=C(C1=CCCC1)N1Cc2cncn2[C@H](CN2CCCC2)C1 ZINC000306132033 231087484 /nfs/dbraw/zinc/08/74/84/231087484.db2.gz KVYKADSYWXSRSV-MRXNPFEDSA-N 0 3 300.406 1.973 40 0 DDABHN CCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392891 185168615 /nfs/dbraw/zinc/16/86/15/185168615.db2.gz WVYJDZZKXKNZGU-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN Cn1cc(CN2CCC3(CCN(c4ncccn4)C3)CC2)cn1 ZINC000096046594 282634568 /nfs/dbraw/zinc/63/45/68/282634568.db2.gz BBAAVYDSAJVWTB-UHFFFAOYSA-N 0 3 312.421 1.703 40 0 DDABHN COc1ccccc1C(=O)N1CCN2[C@H](CN(C)CC2(C)C)C1 ZINC000253398553 186306596 /nfs/dbraw/zinc/30/65/96/186306596.db2.gz HGZJOQDHIXMBAE-CQSZACIVSA-N 0 3 317.433 1.546 40 0 biogenic,in-vitro DDABHN CN1CCC[C@H](c2cnc(CCC(=O)NC(C)(C)CO)cn2)C1 ZINC000072366894 191136463 /nfs/dbraw/zinc/13/64/63/191136463.db2.gz RQIHTMNEFJEXFW-ZDUSSCGKSA-N 0 3 320.437 1.106 40 0 DDABHN COCCN1CCC(c2cc(CCC(N)=O)cc(C)n2)CC1 ZINC000072382844 191142576 /nfs/dbraw/zinc/14/25/76/191142576.db2.gz DRPKUPWNXSTSMM-UHFFFAOYSA-N 0 3 305.422 1.634 40 0 DDABHN Cc1ccc(Cl)cc1NC(=O)C[C@H](NCCC[NH3+])C(=O)[O-] ZINC000004280165 181092044 /nfs/dbraw/zinc/09/20/44/181092044.db2.gz HPZMSTAQZJFHIA-LBPRGKRZSA-N 0 3 313.785 1.369 40 0 DDABHN O=C(C[C@@]1(COc2ccccc2)CNCCO1)N1CCCCC1 ZINC000585271602 354818665 /nfs/dbraw/zinc/81/86/65/354818665.db2.gz HYTXZCPZZLWBIT-SFHVURJKSA-N 0 3 318.417 1.827 40 0 DDABHN COc1ccc(C)cc1CC(=O)N1CC[C@@](O)(CN(C)C)C1 ZINC000257294217 203018631 /nfs/dbraw/zinc/01/86/31/203018631.db2.gz QTCBBDXXOFXYNV-QGZVFWFLSA-N 0 3 306.406 1.071 40 0 DDABHN CC(=O)NCc1cnc([C@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1 ZINC000257321773 203045885 /nfs/dbraw/zinc/04/58/85/203045885.db2.gz WDEDWIRHMQQXQL-LBPRGKRZSA-N 0 3 317.368 1.569 40 0 DDABHN CC(=O)NCc1cnc([C@@H]2CCN(Cc3ccc(F)cn3)C2)[nH]1 ZINC000257321772 203045926 /nfs/dbraw/zinc/04/59/26/203045926.db2.gz WDEDWIRHMQQXQL-GFCCVEGCSA-N 0 3 317.368 1.569 40 0 DDABHN CCOC(=O)[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(C)cc1 ZINC000252516398 257106226 /nfs/dbraw/zinc/10/62/26/257106226.db2.gz SIPZRJFTSGPMSX-UMVBOHGHSA-N 0 3 311.403 1.014 40 0 DDABHN CC(=O)Oc1ccc([C@@H]2CC(=O)N(CCN(C)C)C2=O)cc1 ZINC000002033625 406681638 /nfs/dbraw/zinc/68/16/38/406681638.db2.gz ZXFKWBVEQDWEPL-AWEZNQCLSA-N 0 3 304.346 1.016 40 0 DDABHN OCCN(CCO)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000002679989 406695462 /nfs/dbraw/zinc/69/54/62/406695462.db2.gz PALOEAWHSCPFER-NSHDSACASA-N 0 3 324.204 1.020 40 0 DDABHN O=C(c1ccccn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053823 407229908 /nfs/dbraw/zinc/22/99/08/407229908.db2.gz JGZZJVKQDZAHLL-GJZGRUSLSA-N 0 3 308.385 1.681 40 0 DDABHN O=C(c1ccoc1)N1CCC2(CN(CC3CCOCC3)C2)C1 ZINC000096070909 407233952 /nfs/dbraw/zinc/23/39/52/407233952.db2.gz COCQQCAAXVDJTK-UHFFFAOYSA-N 0 3 304.390 1.854 40 0 DDABHN Cc1ccc(CC(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 ZINC000096201941 407248637 /nfs/dbraw/zinc/24/86/37/407248637.db2.gz AAKFXYHFBSBMIU-SFHVURJKSA-N 0 3 302.418 1.718 40 0 DDABHN c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)cs1 ZINC000107746720 407379588 /nfs/dbraw/zinc/37/95/88/407379588.db2.gz FAEGGLWVNGHJFD-GJZGRUSLSA-N 0 3 316.430 1.876 40 0 DDABHN COC(=O)C1=C[C@@H]2CN(Cc3ccccc3)CC[C@H]2NC1=O ZINC000253495331 407456366 /nfs/dbraw/zinc/45/63/66/407456366.db2.gz TUJSMDKSPQSKRJ-UKRRQHHQSA-N 0 3 300.358 1.106 40 0 DDABHN Cc1c2ccccc2oc1C(=O)N1CC[C@@](O)(CN(C)C)C1 ZINC000257258778 407522873 /nfs/dbraw/zinc/52/28/73/407522873.db2.gz KVMJQKNKUNDOLY-QGZVFWFLSA-N 0 3 302.374 1.880 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000257262808 407527396 /nfs/dbraw/zinc/52/73/96/407527396.db2.gz LMZZVKQJZGJRLZ-GOSISDBHSA-N 0 3 302.418 1.704 40 0 DDABHN Cc1[nH]ncc1CN1CCOC[C@@H]1c1nc(C)cc(N(C)C)n1 ZINC000257268234 407529831 /nfs/dbraw/zinc/52/98/31/407529831.db2.gz MKTRLNBRHRIWBM-CQSZACIVSA-N 0 3 316.409 1.456 40 0 DDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(c1ncccn1)C2 ZINC000096039515 276762852 /nfs/dbraw/zinc/76/28/52/276762852.db2.gz LHSWCDZUSWIOBT-NVXWUHKLSA-N 0 3 320.437 1.430 40 0 DDABHN CC(C)(C)OC(=O)N1CCCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079391153 185168083 /nfs/dbraw/zinc/16/80/83/185168083.db2.gz NITAIYYWHWBLRV-ZDUSSCGKSA-N 0 3 311.426 1.726 40 0 DDABHN C[C@H](N)C(=O)NC[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393035 185168753 /nfs/dbraw/zinc/16/87/53/185168753.db2.gz PHVDSIAXJWALSA-GXTWGEPZSA-N 0 3 305.378 1.109 40 0 DDABHN Cn1ccc2cc(C[C@@H]3COCCN(C(=O)CN)C3)ccc21 ZINC000257273205 282721725 /nfs/dbraw/zinc/72/17/25/282721725.db2.gz NFRGURLXYJVLLN-AWEZNQCLSA-N 0 3 301.390 1.155 40 0 DDABHN C[C@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000072782074 191229038 /nfs/dbraw/zinc/22/90/38/191229038.db2.gz OJROOLGUDCHHIY-HNNXBMFYSA-N 0 3 305.422 1.208 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2ccc3[nH]ccc3c2)CC[C@@H]1O ZINC000585260793 354817828 /nfs/dbraw/zinc/81/78/28/354817828.db2.gz GVOYLYLXPMKPFC-IRXDYDNUSA-N 0 3 301.390 1.629 40 0 DDABHN COC(=O)[C@@H]1CCCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000255187832 284010760 /nfs/dbraw/zinc/01/07/60/284010760.db2.gz HAWFJOPCIMCWLG-OLZOCXBDSA-N 0 3 312.410 1.881 40 0 DDABHN c1ccc(OC[C@@H]2C[C@H]3OCCN(C[C@H]4CCOC4)[C@@H]3C2)nc1 ZINC000253596842 202902877 /nfs/dbraw/zinc/90/28/77/202902877.db2.gz WJPYGEFZEDYKRP-YYIAUSFCSA-N 0 3 318.417 1.976 40 0 DDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1cccnn1)C2 ZINC000257277044 203005641 /nfs/dbraw/zinc/00/56/41/203005641.db2.gz NWFVZMCLWMDLMM-FAYQHZLMSA-N 0 3 300.406 1.954 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCCc2ccncc2)c1 ZINC000257277801 203006497 /nfs/dbraw/zinc/00/64/97/203006497.db2.gz NZKYOSSXTMOGKJ-UHFFFAOYSA-N 0 3 321.384 1.699 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC000257316609 203041437 /nfs/dbraw/zinc/04/14/37/203041437.db2.gz VGHBBIDOUYRPLK-HNNXBMFYSA-N 0 3 316.361 1.658 40 0 DDABHN COCCN1C(=O)CO[C@H]2CN(CCCc3ccccc3)C[C@H]21 ZINC000067897284 184490790 /nfs/dbraw/zinc/49/07/90/184490790.db2.gz PYENYHOLAUJHER-SJORKVTESA-N 0 3 318.417 1.177 40 0 biogenic,in-vitro DDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@]2(N)CN)cc1 ZINC000252515000 257106098 /nfs/dbraw/zinc/10/60/98/257106098.db2.gz FSMVVSJHQLJGST-BRWVUGGUSA-N 0 3 316.426 1.591 40 0 DDABHN COc1cc(C[C@H]2[C@H](O)C3CCN2CC3)cc(OC)c1OC ZINC000001688567 406674708 /nfs/dbraw/zinc/67/47/08/406674708.db2.gz CSOPYOZGEXBZJX-XJKSGUPXSA-N 0 3 307.390 1.710 40 0 DDABHN O=C1c2ccccc2N(CCN2CCCC2)C(=O)[C@@H]2CCCN12 ZINC000012146256 406837463 /nfs/dbraw/zinc/83/74/63/406837463.db2.gz WUZLHSNEFISDKW-INIZCTEOSA-N 0 3 313.401 1.734 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCCN(C4CCOCC4)C3)C2=O)cn1 ZINC000096224629 407253309 /nfs/dbraw/zinc/25/33/09/407253309.db2.gz CAPFXKSPNGCHDZ-QGZVFWFLSA-N 0 3 318.421 1.418 40 0 DDABHN CN(C)C(=O)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042912 407226015 /nfs/dbraw/zinc/22/60/15/407226015.db2.gz XCZKBXXYVNWXFG-YESZJQIVSA-N 0 3 302.418 1.797 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cccnc4)C[C@H]32)n1 ZINC000096057255 407230987 /nfs/dbraw/zinc/23/09/87/407230987.db2.gz HFPFAHHFKRHIMX-OAGGEKHMSA-N 0 3 314.389 1.710 40 0 DDABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccco1)CC2 ZINC000096058862 407231090 /nfs/dbraw/zinc/23/10/90/407231090.db2.gz IUHHVKJPROOJOZ-UHFFFAOYSA-N 0 3 319.409 1.008 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)c3cc4ccccc4o3)C[C@@H]2C1 ZINC000096107947 407238073 /nfs/dbraw/zinc/23/80/73/407238073.db2.gz AALIAWRCLHSVFW-XJKSGUPXSA-N 0 3 300.358 1.835 40 0 DDABHN Cn1cc(CN2CCC3(CCN(CC4CC4)C3=O)CC2)cn1 ZINC000096157807 407241374 /nfs/dbraw/zinc/24/13/74/407241374.db2.gz XZXNFSULEZMVGE-UHFFFAOYSA-N 0 3 302.422 1.645 40 0 DDABHN CN(C)CCOCc1cncc2c1CCN([C@@H]1CCOC1)C2 ZINC000096189350 407246845 /nfs/dbraw/zinc/24/68/45/407246845.db2.gz CMDMRHBVMQIGQD-MRXNPFEDSA-N 0 3 305.422 1.307 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1ccccc1 ZINC000096200804 407248301 /nfs/dbraw/zinc/24/83/01/407248301.db2.gz WIBFEHFZBMENPJ-IXDOHACOSA-N 0 3 302.418 1.939 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3cncn3C)CC2)C1=O ZINC000108532330 407387522 /nfs/dbraw/zinc/38/75/22/407387522.db2.gz WAUZXGRGZFQJRF-QGZVFWFLSA-N 0 3 320.437 1.271 40 0 DDABHN Cc1cccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)n1 ZINC000257248864 407517329 /nfs/dbraw/zinc/51/73/29/407517329.db2.gz JFOAVQPOTJSOTA-INIZCTEOSA-N 0 3 315.421 1.748 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(C(=O)CCc1ccccc1)C2 ZINC000096201954 277159034 /nfs/dbraw/zinc/15/90/34/277159034.db2.gz DHSRCWFPMHFYMB-SFHVURJKSA-N 0 3 302.418 1.800 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000079410022 185170059 /nfs/dbraw/zinc/17/00/59/185170059.db2.gz FYUYXUBOOHXUHZ-ZDUSSCGKSA-N 0 3 313.442 1.733 40 0 DDABHN Cc1nc2cc(-c3nccn3C)nn2c(NCCN(C)C)c1C ZINC000072338510 191125854 /nfs/dbraw/zinc/12/58/54/191125854.db2.gz WVTPXGIXLPVUBF-UHFFFAOYSA-N 0 3 313.409 1.720 40 0 DDABHN Cc1ccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000072782101 191229017 /nfs/dbraw/zinc/22/90/17/191229017.db2.gz NARUACHEXVXZOF-INIZCTEOSA-N 0 3 319.449 1.516 40 0 DDABHN Cc1ccc(C)c(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)c1 ZINC000585104732 354807820 /nfs/dbraw/zinc/80/78/20/354807820.db2.gz SPBDSGVKJOUTQS-GOSISDBHSA-N 0 3 302.418 1.984 40 0 DDABHN Cc1n[nH]cc1CN1C[C@H](c2ccc(Cl)cc2)[C@@H](O)[C@H]1CO ZINC000585293271 354826005 /nfs/dbraw/zinc/82/60/05/354826005.db2.gz TVDUWKPFONCWSO-BZUAXINKSA-N 0 3 321.808 1.693 40 0 DDABHN CCOc1ccccc1CN1CC[C@H](O)[C@@H](NC(C)=O)CC1 ZINC000257309514 203033517 /nfs/dbraw/zinc/03/35/17/203033517.db2.gz UBFKVCLRKHAJQY-HOTGVXAUSA-N 0 3 306.406 1.547 40 0 DDABHN CC(C)CC(=O)N1CCc2nnc([C@@H]3CCCN(C)C3)n2CC1 ZINC000019709541 182137575 /nfs/dbraw/zinc/13/75/75/182137575.db2.gz IPCGKLMUUNXSED-CQSZACIVSA-N 0 3 319.453 1.518 40 0 DDABHN CN1CCC[C@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012195210 406838759 /nfs/dbraw/zinc/83/87/59/406838759.db2.gz LVYSOSRQPZVRJQ-NSHDSACASA-N 0 3 323.780 1.458 40 0 DDABHN Cc1cccc(CN2C[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]3C2=O)c1 ZINC000096245284 407254838 /nfs/dbraw/zinc/25/48/38/407254838.db2.gz AIVIWPHQNQLCNT-ROUUACIJSA-N 0 3 324.428 1.819 40 0 DDABHN Cn1cc(N2C[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]3C2=O)cn1 ZINC000096245259 407255227 /nfs/dbraw/zinc/25/52/27/407255227.db2.gz NUZDBAFMGHYQEX-BBRMVZONSA-N 0 3 314.364 1.654 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C[C@H]1C=CCC1 ZINC000096041502 407225419 /nfs/dbraw/zinc/22/54/19/407225419.db2.gz FFBZDCHQMHZDDF-LISAXSMJSA-N 0 3 322.449 1.679 40 0 DDABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccncc2)CC12CCOCC2 ZINC000096052107 407228008 /nfs/dbraw/zinc/22/80/08/407228008.db2.gz GTSOKOASWJJHKZ-INIZCTEOSA-N 0 3 317.433 1.835 40 0 DDABHN c1coc(CN2CC[C@H]3[C@H](CN4CCOCC4)OC[C@H]3C2)c1 ZINC000096056208 407229222 /nfs/dbraw/zinc/22/92/22/407229222.db2.gz JIKWBXCACBEJSN-OIISXLGYSA-N 0 3 306.406 1.449 40 0 DDABHN COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057332 407230536 /nfs/dbraw/zinc/23/05/36/407230536.db2.gz IYKHOZRQGCJVKE-KFWWJZLASA-N 0 3 324.446 1.633 40 0 DDABHN Cc1noc(C)c1-c1cncc([C@H]2CCCN2C(=O)CN)n1 ZINC000257249642 407518496 /nfs/dbraw/zinc/51/84/96/407518496.db2.gz JJFAHEJCVOCVFT-CYBMUJFWSA-N 0 3 301.350 1.371 40 0 DDABHN NCC(=O)N1[C@H](c2ccc(F)cc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257253857 407520920 /nfs/dbraw/zinc/52/09/20/407520920.db2.gz KANSJDZTRDBAKM-ILXRZTDVSA-N 0 3 319.380 1.485 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2cccc(F)c2)[C@@]1(CN)COC ZINC000218544817 407522689 /nfs/dbraw/zinc/52/26/89/407522689.db2.gz VIEAGEMYHAWIPR-MELADBBJSA-N 0 3 301.383 1.318 40 0 DDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393057 185169037 /nfs/dbraw/zinc/16/90/37/185169037.db2.gz YCCBAQBDDAFRQG-CFVMTHIKSA-N 0 3 319.405 1.687 40 0 DDABHN CC(C)C(=O)NCCn1nc([C@H]2CCN(C)C2)c2nccnc21 ZINC000072391623 191148480 /nfs/dbraw/zinc/14/84/80/191148480.db2.gz KYFIAIVIJFPVBG-LBPRGKRZSA-N 0 3 316.409 1.018 40 0 DDABHN COC(=O)C1=C[C@@H]2CN(Cc3ccccc3)CC[C@@H]2NC1=O ZINC000072415080 191156115 /nfs/dbraw/zinc/15/61/15/191156115.db2.gz TUJSMDKSPQSKRJ-HIFRSBDPSA-N 0 3 300.358 1.106 40 0 DDABHN CO[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1CCC(=O)N1CCCC1 ZINC000585276856 354820680 /nfs/dbraw/zinc/82/06/80/354820680.db2.gz RWVAOZYGROIYIM-HOTGVXAUSA-N 0 3 320.437 1.792 40 0 DDABHN CO[C@@H]1COC[C@@H](CNCc2cnc3ccccc3c2)[C@@H]1O ZINC000585287369 354824114 /nfs/dbraw/zinc/82/41/14/354824114.db2.gz ZCDHVDDQOQJYEC-OIISXLGYSA-N 0 3 302.374 1.347 40 0 DDABHN COc1cc(O)c2c(c1O)[C@@]1(C)C(=O)CCC[C@]1(O)CC2=O ZINC000005460231 181246448 /nfs/dbraw/zinc/24/64/48/181246448.db2.gz DIAIAAXIAGNHSL-CVEARBPZSA-N 0 3 306.314 1.435 40 0 DDABHN CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccncc3)nc21 ZINC000005502551 181250814 /nfs/dbraw/zinc/25/08/14/181250814.db2.gz REIKLHYZOGQSRQ-UHFFFAOYSA-N 0 3 309.373 1.916 40 0 DDABHN COCCN1CCC[C@H](c2nccnc2-c2cnn(C)c2)C1 ZINC000257281072 203008226 /nfs/dbraw/zinc/00/82/26/203008226.db2.gz ONMCTTUTPLZMBY-ZDUSSCGKSA-N 0 3 301.394 1.703 40 0 DDABHN Fc1ccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)cc1F ZINC000257293523 203019709 /nfs/dbraw/zinc/01/97/09/203019709.db2.gz QPWKHGWCPNYBJG-HNNXBMFYSA-N 0 3 309.316 1.970 40 0 DDABHN Cc1nc2c(c(=O)[nH]1)CCN(Cc1cc(F)cc(F)c1)CC2 ZINC000019286419 182112436 /nfs/dbraw/zinc/11/24/36/182112436.db2.gz GAGPUAKWSSIEKF-UHFFFAOYSA-N 0 3 305.328 1.957 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(C)(=O)=O ZINC000252516397 257106442 /nfs/dbraw/zinc/10/64/42/257106442.db2.gz SIPZRJFTSGPMSX-GZBFAFLISA-N 0 3 311.403 1.014 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000006953177 406745860 /nfs/dbraw/zinc/74/58/60/406745860.db2.gz LVHCVWIYLOEPTR-ZDUSSCGKSA-N 0 3 309.797 1.879 40 0 DDABHN CNC(=O)C[C@@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 ZINC000096215994 407251346 /nfs/dbraw/zinc/25/13/46/407251346.db2.gz YJIGTSJQOKUNEU-YESZJQIVSA-N 0 3 318.417 1.429 40 0 DDABHN CCOCC(=O)N1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2C1 ZINC000096246156 407256553 /nfs/dbraw/zinc/25/65/53/407256553.db2.gz JDMBFBRWNDKSPG-LSDHHAIUSA-N 0 3 321.421 1.608 40 0 DDABHN COCCNC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096041133 407225383 /nfs/dbraw/zinc/22/53/83/407225383.db2.gz YDOOIQPKQUBWIC-YESZJQIVSA-N 0 3 318.417 1.286 40 0 DDABHN CN(C)C(=O)C[C@@H]1COC[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096057187 407231212 /nfs/dbraw/zinc/23/12/12/407231212.db2.gz OMOCFTNVDZNBEH-INMHGKMJSA-N 0 3 320.408 1.998 40 0 DDABHN c1cncc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 ZINC000096061066 407231434 /nfs/dbraw/zinc/23/14/34/407231434.db2.gz JWFZTJLPUSYZKX-OAHLLOKOSA-N 0 3 322.372 1.424 40 0 DDABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1 ZINC000096081011 407235107 /nfs/dbraw/zinc/23/51/07/407235107.db2.gz BREHVUFNTBEYKY-IAGOWNOFSA-N 0 3 324.428 1.933 40 0 DDABHN Cn1cc(CN2CCc3ncc(CN4CCCC4)n3CC2)cn1 ZINC000096100552 407237030 /nfs/dbraw/zinc/23/70/30/407237030.db2.gz KYZPDFYLVCNCSM-UHFFFAOYSA-N 0 3 314.437 1.271 40 0 DDABHN c1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)ccn1 ZINC000096183366 407243140 /nfs/dbraw/zinc/24/31/40/407243140.db2.gz WJZCSFWLMAHCAB-JKSUJKDBSA-N 0 3 311.389 1.209 40 0 DDABHN CCN(CC)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 ZINC000096196835 407246488 /nfs/dbraw/zinc/24/64/88/407246488.db2.gz VTLZAYQCAMSRSF-HNNXBMFYSA-N 0 3 306.454 1.620 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1 ZINC000096200935 407249030 /nfs/dbraw/zinc/24/90/30/407249030.db2.gz KQILELNIPDFFFD-CVEARBPZSA-N 0 3 319.453 1.619 40 0 DDABHN CO[C@H]1CN(Cc2cccc(OCCO)c2)CC[C@@]12CCCO2 ZINC000257235846 407510887 /nfs/dbraw/zinc/51/08/87/407510887.db2.gz GZUBUHHGFUKABE-ROUUACIJSA-N 0 3 321.417 1.828 40 0 DDABHN NC[C@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218626891 407522041 /nfs/dbraw/zinc/52/20/41/407522041.db2.gz JIXOLIWQMNRVJR-PMPSAXMXSA-N 0 3 320.389 1.422 40 0 DDABHN CN(C)C[C@@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000257333833 407532148 /nfs/dbraw/zinc/53/21/48/407532148.db2.gz YDGMKTHXDXVOLH-ZDUSSCGKSA-N 0 3 318.826 1.027 40 0 DDABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)N)CC1(CCOCC1)O2 ZINC000012337516 281112555 /nfs/dbraw/zinc/11/25/55/281112555.db2.gz WBXSWGUVHAYREP-GXTWGEPZSA-N 0 3 304.390 1.831 40 0 DDABHN COCCNC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225231141 490700704 /nfs/dbraw/zinc/70/07/04/490700704.db2.gz SBDQTOQABDJONE-UHFFFAOYSA-N 0 3 313.492 1.823 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C[C@H]1COc2ccccc2O1)C1CC1 ZINC000079418835 185170665 /nfs/dbraw/zinc/17/06/65/185170665.db2.gz IBKIALJVWBGMDF-BBRMVZONSA-N 0 3 304.390 1.801 40 0 DDABHN CN(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392873 185168589 /nfs/dbraw/zinc/16/85/89/185168589.db2.gz QNMSPXSGYNATLX-GJZGRUSLSA-N 0 3 319.405 1.641 40 0 DDABHN CC(=O)N(C)Cc1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072387964 191146533 /nfs/dbraw/zinc/14/65/33/191146533.db2.gz DSHBEICZFZCKQH-QGZVFWFLSA-N 0 3 318.421 1.771 40 0 DDABHN O=C(C1CCSCC1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093986 354803468 /nfs/dbraw/zinc/80/34/68/354803468.db2.gz WJCDRSNDBKRIRU-AWEZNQCLSA-N 0 3 324.490 1.435 40 0 DDABHN CN1C(=O)CO[C@H]2CN(C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)C[C@@H]21 ZINC000585285477 354824190 /nfs/dbraw/zinc/82/41/90/354824190.db2.gz YUWKWAINNRPTNC-YRBFXIGRSA-N 0 3 324.465 1.495 40 0 DDABHN CCN(CC)CCOC(=O)Cn1nc(C)c2ccccc2c1=O ZINC000005469589 181247418 /nfs/dbraw/zinc/24/74/18/181247418.db2.gz AOUXMEWUKNOGSN-UHFFFAOYSA-N 0 3 317.389 1.590 40 0 DDABHN OC1(CN2CCC(O)(c3ccccc3F)CC2)CCOCC1 ZINC000257287670 203014188 /nfs/dbraw/zinc/01/41/88/203014188.db2.gz PRACTWHJNJOOMO-UHFFFAOYSA-N 0 3 309.381 1.651 40 0 DDABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096054159 193505470 /nfs/dbraw/zinc/50/54/70/193505470.db2.gz XPYYXEASPHQJLH-HZPDHXFCSA-N 0 3 323.400 1.466 40 0 DDABHN CN(C)CCOC[C@H]1CN(Cc2ccoc2)Cc2nnn(C)c21 ZINC000096060656 193511939 /nfs/dbraw/zinc/51/19/39/193511939.db2.gz RVADEZMSYCHQSE-CQSZACIVSA-N 0 3 319.409 1.086 40 0 DDABHN CC(C)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@H+](C)C3)CC1 ZINC000019085360 182104683 /nfs/dbraw/zinc/10/46/83/182104683.db2.gz ZGINZHNUCDZOHA-UHFFFAOYSA-N 0 3 318.421 1.532 40 0 DDABHN CC(C)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CC[N@@H+](C)C3)CC1 ZINC000019085360 182104685 /nfs/dbraw/zinc/10/46/85/182104685.db2.gz ZGINZHNUCDZOHA-UHFFFAOYSA-N 0 3 318.421 1.532 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000078706840 407041888 /nfs/dbraw/zinc/04/18/88/407041888.db2.gz FPYBZMFBDLDMED-HNNXBMFYSA-N 0 3 318.421 1.292 40 0 DDABHN O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1cncnc1 ZINC000096239192 407254596 /nfs/dbraw/zinc/25/45/96/407254596.db2.gz DSXDTFSEWBBAQM-QGZVFWFLSA-N 0 3 309.373 1.501 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc(O)cc3)C[C@@H]2C1 ZINC000096245552 407255690 /nfs/dbraw/zinc/25/56/90/407255690.db2.gz GVNIZJWLNKNPGT-IAGOWNOFSA-N 0 3 323.396 1.991 40 0 DDABHN Cn1cc(C[C@H]2[C@H](O)CCN2Cc2ccc3c(c2)OCO3)cn1 ZINC000096200171 407247693 /nfs/dbraw/zinc/24/76/93/407247693.db2.gz WXNWFBGULIQLQC-LSDHHAIUSA-N 0 3 315.373 1.327 40 0 DDABHN CNC(=O)C1(CCCc2ccccn2)CCN(CCOC)CC1 ZINC000257202458 407490407 /nfs/dbraw/zinc/49/04/07/407490407.db2.gz ALWJYAANSKTMQO-UHFFFAOYSA-N 0 3 319.449 1.879 40 0 DDABHN CC(C)(N)C(=O)N1CCC2(CO[C@@H](Cc3ccccn3)C2)CC1 ZINC000257210875 407497574 /nfs/dbraw/zinc/49/75/74/407497574.db2.gz BWMSMPPVHLFWKN-HNNXBMFYSA-N 0 3 317.433 1.759 40 0 DDABHN Cc1cc(=O)[nH]c([C@@H](C)N2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586713 408614195 /nfs/dbraw/zinc/61/41/95/408614195.db2.gz JVKAPEUKKDKWFT-HUUCEWRRSA-N 0 3 320.437 1.596 40 0 DDABHN N[C@@H]1CN(C(=O)c2cnn3c2CCC3)C[C@H]1c1ccccc1F ZINC000333334439 410487200 /nfs/dbraw/zinc/48/72/00/410487200.db2.gz WUNOMJNELOQFGL-DZGCQCFKSA-N 0 3 314.364 1.535 40 0 DDABHN C[C@@H](C(=O)N(C)[C@H](C)CS(C)(=O)=O)[C@@H](N)c1ccccc1 ZINC000195543484 278185469 /nfs/dbraw/zinc/18/54/69/278185469.db2.gz CYUQJCKGOSBDPD-YRGRVCCFSA-N 0 3 312.435 1.214 40 0 DDABHN CC(=O)C1[C@@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000004387637 278237991 /nfs/dbraw/zinc/23/79/91/278237991.db2.gz HFTMWFJZNYYHAM-LAEOZQHASA-N 0 3 322.308 1.867 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079410043 280275332 /nfs/dbraw/zinc/27/53/32/280275332.db2.gz FAJVZULETJMUQB-XQQFMLRXSA-N 0 3 313.442 1.922 40 0 DDABHN CN(C(=O)OC(C)(C)C)C1CN(C2(C(=N)NO)CCCC2)C1 ZINC000409440199 568413338 /nfs/dbraw/zinc/41/33/38/568413338.db2.gz JYUONBICGFXWFS-UHFFFAOYSA-N 0 3 312.414 1.806 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412706 185170394 /nfs/dbraw/zinc/17/03/94/185170394.db2.gz NNWRFSQGMWKXDY-ZFWWWQNUSA-N 0 3 319.405 1.499 40 0 DDABHN Cn1cc(CN2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cn1 ZINC000306129629 231086625 /nfs/dbraw/zinc/08/66/25/231086625.db2.gz IIOCTURXICWQCJ-HZPDHXFCSA-N 0 3 320.400 1.908 40 0 DDABHN Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1N2 ZINC000031261402 282518299 /nfs/dbraw/zinc/51/82/99/282518299.db2.gz HESZUPIXRNZIOI-UHFFFAOYSA-N 0 3 312.804 1.688 40 0 in-vitro DDABHN CC(C)[C@@H](C(=N)NO)N1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000409442441 545662374 /nfs/dbraw/zinc/66/23/74/545662374.db2.gz VCKNHAPTWWYZDY-NSHDSACASA-N 0 3 300.403 1.518 40 0 DDABHN Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2CCO)n1 ZINC000072376759 191139713 /nfs/dbraw/zinc/13/97/13/191139713.db2.gz XULVVHRFDPGAKT-AWEZNQCLSA-N 0 3 302.353 1.994 40 0 DDABHN Cc1cc(C(=O)N2Cc3ccccc3OC[C@@H]2CN(C)C)on1 ZINC000072394836 191148807 /nfs/dbraw/zinc/14/88/07/191148807.db2.gz QXAVKLPKJAJZMC-AWEZNQCLSA-N 0 3 315.373 1.948 40 0 DDABHN NC[C@H]1CN(c2ccc(I)cc2)C(=O)O1 ZINC000140513565 354136230 /nfs/dbraw/zinc/13/62/30/354136230.db2.gz AMCBGYXMMCLQKE-VIFPVBQESA-N 0 3 318.114 1.575 40 0 DDABHN C[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004504518 181117031 /nfs/dbraw/zinc/11/70/31/181117031.db2.gz PYGIFSAOEFRANF-NSHDSACASA-N 0 3 305.357 1.318 40 0 DDABHN CCS(=O)(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 ZINC000585112404 354810108 /nfs/dbraw/zinc/81/01/08/354810108.db2.gz PBRCKFDEEQCLID-AWEZNQCLSA-N 0 3 312.439 1.075 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000247841179 202693300 /nfs/dbraw/zinc/69/33/00/202693300.db2.gz FNYIKVRSJSESHN-HUUCEWRRSA-N 0 3 309.373 1.076 40 0 DDABHN COCCN1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000257285765 203012015 /nfs/dbraw/zinc/01/20/15/203012015.db2.gz PITATSIORCEMBR-UHFFFAOYSA-N 0 3 301.394 1.768 40 0 DDABHN Cc1ccc2cc(CNC[C@H]3COCCO3)c3nnnn3c2c1 ZINC000019234297 182111180 /nfs/dbraw/zinc/11/11/80/182111180.db2.gz YAWVFEMKFQJVLS-AWEZNQCLSA-N 0 3 313.361 1.091 40 0 DDABHN COc1c2c(c([C@@](C)(O)C(F)F)c3c1CN(C)CC3)OCO2 ZINC000242548291 257119927 /nfs/dbraw/zinc/11/99/27/257119927.db2.gz LIEBBQHXAZOSRT-OAHLLOKOSA-N 0 3 315.316 1.884 40 0 DDABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCN(C=O)CC1 ZINC000072222648 257123791 /nfs/dbraw/zinc/12/37/91/257123791.db2.gz DSTCREOKIDQWIA-KRWDZBQOSA-N 0 3 310.401 1.717 40 0 DDABHN COC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218421665 257130905 /nfs/dbraw/zinc/13/09/05/257130905.db2.gz XSXFOGHGWCUQCY-FRRDWIJNSA-N 0 3 303.811 1.442 40 0 DDABHN OCCN[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccccc1 ZINC000001593688 406671285 /nfs/dbraw/zinc/67/12/85/406671285.db2.gz CPENJQYCUCOIAE-IAGOWNOFSA-N 0 3 301.342 1.772 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000006953163 406744966 /nfs/dbraw/zinc/74/49/66/406744966.db2.gz FUCYUBHLGJOUCR-AWEZNQCLSA-N 0 3 303.406 1.842 40 0 DDABHN NCC(=O)N1CCCC[C@@H]1CN(Cc1ccccc1)C1CC1 ZINC000079391057 407053874 /nfs/dbraw/zinc/05/38/74/407053874.db2.gz HFDZGYCUFSJDGY-QGZVFWFLSA-N 0 3 301.434 1.991 40 0 DDABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccsc1)C2 ZINC000096259014 407257513 /nfs/dbraw/zinc/25/75/13/407257513.db2.gz PRCUXEWVWFYYLT-UHFFFAOYSA-N 0 3 321.450 1.434 40 0 DDABHN O=c1[n-]c([C@H]2CCC[NH2+]C2)nc2c1nnn2Cc1ccccc1 ZINC000096297268 407258758 /nfs/dbraw/zinc/25/87/58/407258758.db2.gz KZUCQGDIMFHZKZ-LBPRGKRZSA-N 0 3 310.361 1.442 40 0 DDABHN Cn1cc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cn1 ZINC000096296458 407259277 /nfs/dbraw/zinc/25/92/77/407259277.db2.gz MWBDFGWTDGSOGV-INIZCTEOSA-N 0 3 323.400 1.972 40 0 biogenic,in-vitro DDABHN CC(C)C(=O)N1CCN(CC2CC2)C[C@@]2(CC(=O)N(C)C2)C1 ZINC000096036077 407224388 /nfs/dbraw/zinc/22/43/88/407224388.db2.gz FTLAKKHKIOSTCO-KRWDZBQOSA-N 0 3 307.438 1.045 40 0 DDABHN Cc1ccc(CN2CC[C@@H]3[C@H](CNC(=O)C4CC4)OC[C@@H]3C2)o1 ZINC000096057588 407231227 /nfs/dbraw/zinc/23/12/27/407231227.db2.gz APDAZEPRQCTPKD-XIRDDKMYSA-N 0 3 318.417 1.951 40 0 DDABHN O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC000096081010 407234683 /nfs/dbraw/zinc/23/46/83/407234683.db2.gz BREHVUFNTBEYKY-IRXDYDNUSA-N 0 3 324.428 1.933 40 0 DDABHN CN(C)CCOCc1ncn2c1CN(C1CCOCC1)CCC2 ZINC000096085054 407235995 /nfs/dbraw/zinc/23/59/95/407235995.db2.gz CITZPXZJXPKLGJ-UHFFFAOYSA-N 0 3 322.453 1.346 40 0 DDABHN CO[C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC000096109440 407237551 /nfs/dbraw/zinc/23/75/51/407237551.db2.gz GWNSCMXWKAWVFE-IMJJTQAJSA-N 0 3 319.405 1.554 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1cccc(C)n1)CC[C@@H]2OC ZINC000096109422 407237677 /nfs/dbraw/zinc/23/76/77/407237677.db2.gz HTTLQQGZQPWCPY-KSZLIROESA-N 0 3 319.449 1.558 40 0 DDABHN COc1ccc(CN2C(=O)CO[C@H]3CN(C(C)C)C[C@H]32)cc1 ZINC000067897231 407288893 /nfs/dbraw/zinc/28/88/93/407288893.db2.gz FOPZXFKIGCLQKK-CVEARBPZSA-N 0 3 304.390 1.515 40 0 biogenic,in-vitro DDABHN COc1ccc(CN2CCN(C)C[C@H](C(=O)N(C)C)C2)c(F)c1 ZINC000257217490 407499103 /nfs/dbraw/zinc/49/91/03/407499103.db2.gz CZFAMXBNJZWSEL-AWEZNQCLSA-N 0 3 323.412 1.286 40 0 DDABHN CNc1cc([C@@H]2CCCN2CC2(O)CCOCC2)nc(C)n1 ZINC000257217895 407499900 /nfs/dbraw/zinc/49/99/00/407499900.db2.gz DBAQFGMDDQOFHC-AWEZNQCLSA-N 0 3 306.410 1.505 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218446887 407519576 /nfs/dbraw/zinc/51/95/76/407519576.db2.gz GWSINPKOOKHISK-RDBSUJKOSA-N 0 3 317.838 1.832 40 0 DDABHN CN1CCN([C@H]2CCN(C(=O)CC3CCCC3)CC[C@@H]2O)CC1 ZINC000257269795 407528942 /nfs/dbraw/zinc/52/89/42/407528942.db2.gz MRJUSVQSGDATLZ-IRXDYDNUSA-N 0 3 323.481 1.166 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3scnc3C)C[C@H]21 ZINC000096043330 277245146 /nfs/dbraw/zinc/24/51/46/277245146.db2.gz IZBZASIUIJIVHJ-FRRDWIJNSA-N 0 3 309.435 1.425 40 0 DDABHN CNc1ncc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2)cn1 ZINC000585275951 483924506 /nfs/dbraw/zinc/92/45/06/483924506.db2.gz HAEZVTSHCMSLBF-IRXDYDNUSA-N 0 3 312.417 2.086 40 0 DDABHN CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391292 185168210 /nfs/dbraw/zinc/16/82/10/185168210.db2.gz RCYKTMGCAYQVJK-STQMWFEESA-N 0 3 313.442 1.970 40 0 DDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000072336059 191126609 /nfs/dbraw/zinc/12/66/09/191126609.db2.gz SXAHRIVJCQRHCB-CJNGLKHVSA-N 0 3 311.385 1.946 40 0 DDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3cccc(O)c3)C[C@H]21 ZINC000072336059 191126611 /nfs/dbraw/zinc/12/66/11/191126611.db2.gz SXAHRIVJCQRHCB-CJNGLKHVSA-N 0 3 311.385 1.946 40 0 DDABHN Cn1ccnc1-c1nccnc1C[C@@H]1CCCN(CCO)C1 ZINC000585178933 354817693 /nfs/dbraw/zinc/81/76/93/354817693.db2.gz WOYKLZDZCRKZIX-ZDUSSCGKSA-N 0 3 301.394 1.124 40 0 DDABHN O=c1cc(C[C@H]2COCC[N@H+](CC3CCOCC3)C2)nc[n-]1 ZINC000257298112 203022485 /nfs/dbraw/zinc/02/24/85/203022485.db2.gz RKFBRQMWXUGBBB-CQSZACIVSA-N 0 3 307.394 1.100 40 0 DDABHN O=c1cc(C[C@H]2COCC[N@@H+](CC3CCOCC3)C2)nc[n-]1 ZINC000257298112 203022489 /nfs/dbraw/zinc/02/24/89/203022489.db2.gz RKFBRQMWXUGBBB-CQSZACIVSA-N 0 3 307.394 1.100 40 0 DDABHN COCCN1CCC[C@@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257306000 203030858 /nfs/dbraw/zinc/03/08/58/203030858.db2.gz SSMJPHYDWGJJMC-GFCCVEGCSA-N 0 3 306.366 1.259 40 0 DDABHN CNC(=O)c1c[nH]nc1[C@@H]1CCN(Cc2ccccc2OC)C1 ZINC000257283156 203010637 /nfs/dbraw/zinc/01/06/37/203010637.db2.gz OWXSZIVZKGWCCT-CYBMUJFWSA-N 0 3 314.389 1.767 40 0 DDABHN COCCN1CCC[C@H](Cc2cnc(-c3ccnn3C)cn2)C1 ZINC000257316072 203039809 /nfs/dbraw/zinc/03/98/09/203039809.db2.gz VDZLSHSLMPRKQG-CQSZACIVSA-N 0 3 315.421 1.778 40 0 DDABHN CCOC(=O)[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217998718 257131467 /nfs/dbraw/zinc/13/14/67/257131467.db2.gz JVPMPPWJNOMAAA-WCQYABFASA-N 0 3 317.794 1.394 40 0 DDABHN CCNC(=O)[C@@H](C(=O)OCCN(CC)CC)c1ccccc1 ZINC000001593543 406671380 /nfs/dbraw/zinc/67/13/80/406671380.db2.gz FOPKLMKFBMQOPG-HNNXBMFYSA-N 0 3 306.406 1.791 40 0 DDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3ccc(O)cc3)C[C@H]21 ZINC000012133926 406836175 /nfs/dbraw/zinc/83/61/75/406836175.db2.gz UOKFLJGNWPZJRU-CJNGLKHVSA-N 0 3 311.385 1.946 40 0 DDABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3ccc(O)cc3)C[C@H]21 ZINC000012133926 406836176 /nfs/dbraw/zinc/83/61/76/406836176.db2.gz UOKFLJGNWPZJRU-CJNGLKHVSA-N 0 3 311.385 1.946 40 0 DDABHN Cn1cc(N2CC[C@]3(CCCN(C4CCOCC4)C3)C2=O)cn1 ZINC000096224628 407253214 /nfs/dbraw/zinc/25/32/14/407253214.db2.gz CAPFXKSPNGCHDZ-KRWDZBQOSA-N 0 3 318.421 1.418 40 0 DDABHN Cn1cc(N2CC[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2=O)cn1 ZINC000096249157 407256429 /nfs/dbraw/zinc/25/64/29/407256429.db2.gz COJKDCRZHCVKCZ-CJNGLKHVSA-N 0 3 311.389 1.300 40 0 DDABHN Cn1cc(N2CC[C@]3(CCN(Cc4ccccn4)C3)C2=O)cn1 ZINC000096050527 407228662 /nfs/dbraw/zinc/22/86/62/407228662.db2.gz OWFBATKYGJBZOI-KRWDZBQOSA-N 0 3 311.389 1.444 40 0 DDABHN COc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)cc1 ZINC000096055806 407228923 /nfs/dbraw/zinc/22/89/23/407228923.db2.gz DZWUJNBGZUEJBM-SJORKVTESA-N 0 3 317.433 1.432 40 0 DDABHN CN(Cc1ccccn1)C(=O)[C@H]1CO[C@H]2CCN(C)C[C@H]2C1 ZINC000096066030 407233063 /nfs/dbraw/zinc/23/30/63/407233063.db2.gz YJUTZWRNTNWLHS-FMKPAKJESA-N 0 3 303.406 1.397 40 0 DDABHN COCCNC(=O)[C@H]1CO[C@H]2CCN(Cc3ccco3)C[C@H]2C1 ZINC000096066000 407233141 /nfs/dbraw/zinc/23/31/41/407233141.db2.gz MLGPCMRWPYWYHN-FMKPAKJESA-N 0 3 322.405 1.269 40 0 DDABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2 ZINC000096108299 407238139 /nfs/dbraw/zinc/23/81/39/407238139.db2.gz KQSADIYZWKNSQY-PBHICJAKSA-N 0 3 321.396 1.545 40 0 DDABHN O=C(c1cscn1)N1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 ZINC000107191698 407370205 /nfs/dbraw/zinc/37/02/05/407370205.db2.gz GBMATWFBSRUGJP-BBRMVZONSA-N 0 3 321.446 1.860 40 0 DDABHN NCC(=O)N1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 ZINC000079391054 303365457 /nfs/dbraw/zinc/36/54/57/303365457.db2.gz HFDZGYCUFSJDGY-KRWDZBQOSA-N 0 3 301.434 1.991 40 0 DDABHN CN(C)Cc1ccccc1CNC(=O)[C@]1(C)CN(C)CCO1 ZINC000072378286 191141720 /nfs/dbraw/zinc/14/17/20/191141720.db2.gz JWBFHRAOEVZCQB-KRWDZBQOSA-N 0 3 305.422 1.085 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000072385336 191144405 /nfs/dbraw/zinc/14/44/05/191144405.db2.gz ZCWYXCDBBSLRGV-GFCCVEGCSA-N 0 3 312.439 1.052 40 0 DDABHN CO[C@H]1CN(CCCOc2ccccc2F)C[C@@H]1CC(N)=O ZINC000585278200 354821711 /nfs/dbraw/zinc/82/17/11/354821711.db2.gz NCDOUDIQQJRARA-WFASDCNBSA-N 0 3 310.369 1.417 40 0 DDABHN COc1cc(O)c2c(c1O)[C@]1(C)C(=O)CCC[C@]1(O)CC2=O ZINC000005460232 181246494 /nfs/dbraw/zinc/24/64/94/181246494.db2.gz DIAIAAXIAGNHSL-HOTGVXAUSA-N 0 3 306.314 1.435 40 0 DDABHN Cc1cc(C)nc([C@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 ZINC000257329796 203053610 /nfs/dbraw/zinc/05/36/10/203053610.db2.gz XLOPQMQJSNGJMW-CYBMUJFWSA-N 0 3 304.394 1.265 40 0 DDABHN CN1CCC[C@H](NC(=O)c2ccccc2-n2cnc(CN)c2)C1 ZINC000257319273 203043241 /nfs/dbraw/zinc/04/32/41/203043241.db2.gz VRPYWDXRJRMEOJ-ZDUSSCGKSA-N 0 3 313.405 1.155 40 0 DDABHN O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1 ZINC000096066203 193517813 /nfs/dbraw/zinc/51/78/13/193517813.db2.gz TUSGICNPXJOIAC-BHYGNILZSA-N 0 3 321.465 1.230 40 0 DDABHN CC(C)c1nc2n(n1)[C@H](C(=O)NCc1ccco1)CC(=O)N2 ZINC000017030902 182068811 /nfs/dbraw/zinc/06/88/11/182068811.db2.gz HJVKLMIJRVCOIQ-JTQLQIEISA-N 0 3 303.322 1.194 40 0 DDABHN C[N@@H+]1CCc2c(nc(C3CCN(C(=O)C4CC4)CC3)[n-]c2=O)C1 ZINC000019590725 182132166 /nfs/dbraw/zinc/13/21/66/182132166.db2.gz ORWRHBJIWDWTHF-UHFFFAOYSA-N 0 3 316.405 1.286 40 0 DDABHN C[N@H+]1CCc2c(nc(C3CCN(C(=O)C4CC4)CC3)[n-]c2=O)C1 ZINC000019590725 182132167 /nfs/dbraw/zinc/13/21/67/182132167.db2.gz ORWRHBJIWDWTHF-UHFFFAOYSA-N 0 3 316.405 1.286 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(F)cc1 ZINC000252514968 257106348 /nfs/dbraw/zinc/10/63/48/257106348.db2.gz FOCCYJDNKLSTBP-RBSFLKMASA-N 0 3 315.410 1.708 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CN)CO ZINC000242750667 257120421 /nfs/dbraw/zinc/12/04/21/257120421.db2.gz ZVOWQZRRRJGKPV-UPJWGTAASA-N 0 3 303.811 1.178 40 0 DDABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1cncn1C)CC2 ZINC000096217785 407252291 /nfs/dbraw/zinc/25/22/91/407252291.db2.gz RZBXFPVDCUZIMW-QGZVFWFLSA-N 0 3 320.437 1.414 40 0 DDABHN O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1cncnc1 ZINC000096239208 407254976 /nfs/dbraw/zinc/25/49/76/407254976.db2.gz TVMAALJVRZKYLD-QGZVFWFLSA-N 0 3 309.373 1.501 40 0 DDABHN O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000096041013 407225388 /nfs/dbraw/zinc/22/53/88/407225388.db2.gz SUJJDKVWWVQPNV-XIRDDKMYSA-N 0 3 300.402 1.945 40 0 DDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2N1C(C)C ZINC000096054229 407229575 /nfs/dbraw/zinc/22/95/75/407229575.db2.gz ITVWYGSTJHBROP-BHYGNILZSA-N 0 3 319.424 1.855 40 0 DDABHN c1cncc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)c1 ZINC000096061067 407231446 /nfs/dbraw/zinc/23/14/46/407231446.db2.gz JWFZTJLPUSYZKX-HNNXBMFYSA-N 0 3 322.372 1.424 40 0 DDABHN CN1C(=O)C[C@@H](c2ccncc2)C12CCN([C@@H]1CCOC1)CC2 ZINC000096069803 407233873 /nfs/dbraw/zinc/23/38/73/407233873.db2.gz PCUQNZOMERBBOM-CVEARBPZSA-N 0 3 315.417 1.651 40 0 DDABHN CN1CCOC[C@]2(CCCN(C(=O)c3ccncc3F)C2)C1 ZINC000096076197 407234695 /nfs/dbraw/zinc/23/46/95/407234695.db2.gz ZLZLRMLYQOHJAP-MRXNPFEDSA-N 0 3 307.369 1.405 40 0 DDABHN O=C(c1cscn1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158130 407241831 /nfs/dbraw/zinc/24/18/31/407241831.db2.gz GBMATWFBSRUGJP-CZUORRHYSA-N 0 3 321.446 1.860 40 0 DDABHN Cn1cccc1C(=O)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 ZINC000096183304 407243191 /nfs/dbraw/zinc/24/31/91/407243191.db2.gz IKPKCBMCUIVHSW-LSDHHAIUSA-N 0 3 303.406 1.350 40 0 DDABHN c1cnn(Cc2cnc3n2CCN(Cc2cccnc2)CC3)c1 ZINC000096196942 407247740 /nfs/dbraw/zinc/24/77/40/407247740.db2.gz ZHWBFIBRMUBUDR-UHFFFAOYSA-N 0 3 308.389 1.581 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccccc1)CC[C@@H]2OC ZINC000096208589 407250573 /nfs/dbraw/zinc/25/05/73/407250573.db2.gz YVKMPGBKBWXRHW-BBWFWOEESA-N 0 3 302.418 1.797 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccs1)CC[C@@H]2OC ZINC000096207973 407250727 /nfs/dbraw/zinc/25/07/27/407250727.db2.gz RYQNULXWJKGVBH-MJBXVCDLSA-N 0 3 324.446 1.556 40 0 DDABHN Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)N(C)C)C2)cn1 ZINC000108528729 407387674 /nfs/dbraw/zinc/38/76/74/407387674.db2.gz ZNIVHRUYFIWMGG-NVXWUHKLSA-N 0 3 302.422 1.865 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)COC ZINC000218544591 407520704 /nfs/dbraw/zinc/52/07/04/407520704.db2.gz VIEAGEMYHAWIPR-MGPQQGTHSA-N 0 3 301.383 1.318 40 0 DDABHN CN(CC(=O)N1CCO[C@H](c2cccc(N)n2)C1)C1CCCC1 ZINC000257324974 407534350 /nfs/dbraw/zinc/53/43/50/407534350.db2.gz WQZLGOCIVAXYKD-HNNXBMFYSA-N 0 3 318.421 1.438 40 0 DDABHN O=C(c1cnccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000247841173 408511439 /nfs/dbraw/zinc/51/14/39/408511439.db2.gz FNYIKVRSJSESHN-GJZGRUSLSA-N 0 3 309.373 1.076 40 0 DDABHN CN(C)CCNc1nc(Nc2cccc(O)c2)cc(C2CC2)n1 ZINC000328966945 410024148 /nfs/dbraw/zinc/02/41/48/410024148.db2.gz CPJUKBXEXSSSSU-UHFFFAOYSA-N 0 3 313.405 1.621 40 0 DDABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)N)CC1(CCOCC1)O2 ZINC000012337518 281087620 /nfs/dbraw/zinc/08/76/20/281087620.db2.gz WBXSWGUVHAYREP-JSGCOSHPSA-N 0 3 304.390 1.831 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccccn1 ZINC000096065758 282109190 /nfs/dbraw/zinc/10/91/90/282109190.db2.gz QYPBWJMFEHPSSV-ARFHVFGLSA-N 0 3 319.405 1.032 40 0 DDABHN CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391291 185167953 /nfs/dbraw/zinc/16/79/53/185167953.db2.gz RCYKTMGCAYQVJK-QWHCGFSZSA-N 0 3 313.442 1.970 40 0 DDABHN CN(C)CCN1CC[C@H]2[C@H]1CCN2C(=O)Cc1cccs1 ZINC000306138765 231090269 /nfs/dbraw/zinc/09/02/69/231090269.db2.gz SGQUIUBWPUKNSW-CABCVRRESA-N 0 3 307.463 1.527 40 0 DDABHN Cc1nnc2n1C1(CCN(Cc3ccccn3)CC1)CN(C)C2 ZINC000306138514 282351829 /nfs/dbraw/zinc/35/18/29/282351829.db2.gz RZGCGFUMXOEAPX-UHFFFAOYSA-N 0 3 312.421 1.418 40 0 DDABHN CN(C)c1ncccc1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713227 352169648 /nfs/dbraw/zinc/16/96/48/352169648.db2.gz XWSUZRJOSQKXRB-LSDHHAIUSA-N 0 3 302.422 1.781 40 0 DDABHN CO[C@H]1CN(Cc2ccncc2)C[C@@H]1CC(=O)N1CCCC1 ZINC000585277870 354821612 /nfs/dbraw/zinc/82/16/12/354821612.db2.gz YNAWVYZKDPZGPS-HOTGVXAUSA-N 0 3 303.406 1.541 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccccn1 ZINC000096056477 193507277 /nfs/dbraw/zinc/50/72/77/193507277.db2.gz TWTAANOBILOVQH-HZPDHXFCSA-N 0 3 302.422 1.209 40 0 DDABHN O=C(C1CCCC1)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292395 182113760 /nfs/dbraw/zinc/11/37/60/182113760.db2.gz VFOPRFUKQIWVEA-CYBMUJFWSA-N 0 3 300.406 1.628 40 0 DDABHN CN1CCN(CCCNC(=O)CSc2ccccc2)CC1 ZINC000022829329 182336367 /nfs/dbraw/zinc/33/63/67/182336367.db2.gz QXTIUBPPFAGPIT-UHFFFAOYSA-N 0 3 307.463 1.532 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3ccccn3)C2)C1=O ZINC000096223976 407253041 /nfs/dbraw/zinc/25/30/41/407253041.db2.gz ZGZMPKLMRXGKHE-KRWDZBQOSA-N 0 3 303.406 1.543 40 0 DDABHN COCCN1C(=O)CCC12CCC(NCc1cnn(C)c1)CC2 ZINC000096228547 407254365 /nfs/dbraw/zinc/25/43/65/407254365.db2.gz LSZHHCRGJKRHTP-UHFFFAOYSA-N 0 3 320.437 1.460 40 0 DDABHN Cc1ccc(N2CC[C@]3(C2)CN(CCO)CCC3(F)F)nn1 ZINC000096239823 407254938 /nfs/dbraw/zinc/25/49/38/407254938.db2.gz IFDVKRZYDSCPOW-CQSZACIVSA-N 0 3 312.364 1.315 40 0 DDABHN OCCN1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096239826 407255169 /nfs/dbraw/zinc/25/51/69/407255169.db2.gz LNYSFXWCMMFJOD-HNNXBMFYSA-N 0 3 311.376 1.607 40 0 DDABHN c1ccc(CCN2C[C@@H]3[C@H](C2)OCCN3c2ncccn2)cc1 ZINC000096246522 407255519 /nfs/dbraw/zinc/25/55/19/407255519.db2.gz XPCSABABPBMBDN-SJORKVTESA-N 0 3 310.401 1.609 40 0 DDABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1 ZINC000096038677 407224539 /nfs/dbraw/zinc/22/45/39/407224539.db2.gz CBQQJLBASCFMKM-GDBMZVCRSA-N 0 3 323.462 1.957 40 0 DDABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(C1CCCCC1)C2 ZINC000096038725 407224637 /nfs/dbraw/zinc/22/46/37/407224637.db2.gz BARTYCKIBZINFW-SJLPKXTDSA-N 0 3 322.449 1.659 40 0 DDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3cccc(C)n3)C2)C1 ZINC000096049609 407226811 /nfs/dbraw/zinc/22/68/11/407226811.db2.gz GUTVAGGAJZFKBI-GOSISDBHSA-N 0 3 317.433 1.965 40 0 DDABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)n1 ZINC000096053759 407229066 /nfs/dbraw/zinc/22/90/66/407229066.db2.gz QJUXOOCXDQTZQK-IAGOWNOFSA-N 0 3 322.412 1.989 40 0 DDABHN Cn1cc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)cn1 ZINC000096058633 407230859 /nfs/dbraw/zinc/23/08/59/407230859.db2.gz OWOBNUCCUSWBHI-CQSZACIVSA-N 0 3 313.405 1.315 40 0 DDABHN COCCN1CC[C@H]2[C@@H]1CCC(=O)N2Cc1csc(C)n1 ZINC000096064706 407232849 /nfs/dbraw/zinc/23/28/49/407232849.db2.gz PALRLIJMJNNPBE-KBPBESRZSA-N 0 3 309.435 1.663 40 0 DDABHN CCN1CCC2(CC1)CN(Cc1csc(C)n1)C(=O)CO2 ZINC000096070215 407233933 /nfs/dbraw/zinc/23/39/33/407233933.db2.gz KTKZLKKIKCWGNX-UHFFFAOYSA-N 0 3 309.435 1.665 40 0 DDABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1cccnc1)C2 ZINC000096109167 407237967 /nfs/dbraw/zinc/23/79/67/407237967.db2.gz LJPRWBJIAZYTDH-AEFFLSMTSA-N 0 3 317.433 1.789 40 0 DDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccccn3)C2)O1 ZINC000096160179 407241010 /nfs/dbraw/zinc/24/10/10/407241010.db2.gz IWXKGMUKUPLKFK-IAGOWNOFSA-N 0 3 305.422 1.393 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096202006 407249484 /nfs/dbraw/zinc/24/94/84/407249484.db2.gz BHJUZMCBEIPZTN-INIZCTEOSA-N 0 3 324.446 1.559 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cscn2)c1 ZINC000257238338 407509149 /nfs/dbraw/zinc/50/91/49/407509149.db2.gz HKNAKLGRHDGOMM-HNNXBMFYSA-N 0 3 316.430 1.649 40 0 DDABHN O=C(CN1CCC[C@H]1CCc1ccncc1)N1CCOCC1 ZINC000257221568 407503657 /nfs/dbraw/zinc/50/36/57/407503657.db2.gz DPPWVFDDJKCHQG-INIZCTEOSA-N 0 3 303.406 1.337 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)COC ZINC000218463361 407519277 /nfs/dbraw/zinc/51/92/77/407519277.db2.gz HVXSZJKHIWFJJU-MELADBBJSA-N 0 3 317.838 1.832 40 0 DDABHN COC[C@@H]1CCN(C)C2(CN(Cc3cccnc3OC)C2)C1 ZINC000248135006 408537514 /nfs/dbraw/zinc/53/75/14/408537514.db2.gz OFWGCWBGSPVHBH-CQSZACIVSA-N 0 3 305.422 1.633 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096043323 277245121 /nfs/dbraw/zinc/24/51/21/277245121.db2.gz VJCYUFKSYWAOKO-OWCLPIDISA-N 0 3 306.381 1.799 40 0 DDABHN NCC(=O)N1CCCC[C@H]1c1nc(N)ncc1-c1ccccc1 ZINC000257283564 303365459 /nfs/dbraw/zinc/36/54/59/303365459.db2.gz OYVQDQUKASZHRM-AWEZNQCLSA-N 0 3 311.389 1.738 40 0 DDABHN CN(C)[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O ZINC000952844596 775565513 /nfs/dbraw/zinc/56/55/13/775565513.db2.gz AIDRRXVATZRAEM-OVYGPGRDSA-N 0 3 315.373 1.137 40 0 biogenic,in-vitro DDABHN C[C@H](N)C(=O)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 ZINC000079391327 185167946 /nfs/dbraw/zinc/16/79/46/185167946.db2.gz KECOKIOBLSVCLT-AAEUAGOBSA-N 0 3 311.426 1.724 40 0 DDABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391384 185167998 /nfs/dbraw/zinc/16/79/98/185167998.db2.gz KKVMIKVNLQKLPX-STQMWFEESA-N 0 3 313.442 1.733 40 0 DDABHN CC(C)N(C(=O)[C@H](C)N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391293 185168201 /nfs/dbraw/zinc/16/82/01/185168201.db2.gz VVTGZCXXFNCBSG-LBPRGKRZSA-N 0 3 313.442 1.970 40 0 DDABHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000088688710 185262564 /nfs/dbraw/zinc/26/25/64/185262564.db2.gz XUQRWNUUMIJNSQ-CQSZACIVSA-N 0 3 312.435 1.594 40 0 DDABHN Cc1nc(C(=O)N2CCC(O)CC2)cc(C2CCN(C)CC2)n1 ZINC000072382873 191142804 /nfs/dbraw/zinc/14/28/04/191142804.db2.gz RPRLPTBAQBZYSC-UHFFFAOYSA-N 0 3 318.421 1.191 40 0 DDABHN CN1CCC(C(=O)NCc2cccc(N3CCCC3=O)c2)CC1 ZINC000072954757 191256989 /nfs/dbraw/zinc/25/69/89/191256989.db2.gz UVWMXDKHZALVEM-UHFFFAOYSA-N 0 3 315.417 1.771 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)c2ccnc(F)c2)C[C@@H]2CCCO[C@H]12 ZINC000585108458 354808409 /nfs/dbraw/zinc/80/84/09/354808409.db2.gz MORXMTXVKFBMFQ-GUTXKFCHSA-N 0 3 307.369 1.402 40 0 DDABHN Cc1c(C)n(C)c2ccc(NC(=O)[C@@H]3CNCCN3C)cc12 ZINC000585177438 354817679 /nfs/dbraw/zinc/81/76/79/354817679.db2.gz ZBMYNTVEUYGPCE-INIZCTEOSA-N 0 3 300.406 1.637 40 0 DDABHN Cc1n[nH]cc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585292534 354826315 /nfs/dbraw/zinc/82/63/15/354826315.db2.gz KGAUJDZAELETDL-BZUAXINKSA-N 0 3 305.353 1.178 40 0 DDABHN CCN(CC)CCNC(=O)Nc1c[nH]c2ccccc2c1=O ZINC000004907268 181171146 /nfs/dbraw/zinc/17/11/46/181171146.db2.gz QYUYFPARGAUBJN-UHFFFAOYSA-N 0 3 302.378 1.991 40 0 DDABHN Cc1ccc2cc(CNC[C@@H]3COCCO3)c3nnnn3c2c1 ZINC000019234296 182111075 /nfs/dbraw/zinc/11/10/75/182111075.db2.gz YAWVFEMKFQJVLS-CQSZACIVSA-N 0 3 313.361 1.091 40 0 DDABHN COCC(=O)NCC[C@@H]1CCCCN1Cc1cnn(C)c1C ZINC000019749017 182142626 /nfs/dbraw/zinc/14/26/26/182142626.db2.gz AEUHVJIREWAJAG-HNNXBMFYSA-N 0 3 308.426 1.236 40 0 DDABHN Cc1cccnc1Nc1nccc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000257216291 256618137 /nfs/dbraw/zinc/61/81/37/256618137.db2.gz CTWLDALYZPYJNS-LBPRGKRZSA-N 0 3 312.377 1.198 40 0 DDABHN NC[C@@H]1CCN(c2cccc(Br)c2)S1(=O)=O ZINC000222542809 407559126 /nfs/dbraw/zinc/55/91/26/407559126.db2.gz ORQYWONAFSSKGJ-JTQLQIEISA-N 0 3 305.197 1.316 40 0 DDABHN Nc1nonc1CC(=O)N1CCCC[C@H]1CN1CCCCC1 ZINC000012361003 406842042 /nfs/dbraw/zinc/84/20/42/406842042.db2.gz LWVGWJQKAHCAOK-LBPRGKRZSA-N 0 3 307.398 1.061 40 0 DDABHN O=C1N(Cc2cccnc2)C[C@H]2CN(C3CCOCC3)CCN12 ZINC000077266581 406982080 /nfs/dbraw/zinc/98/20/80/406982080.db2.gz VHHSAKKUCNTMJU-MRXNPFEDSA-N 0 3 316.405 1.182 40 0 biogenic,in-vitro DDABHN COCCN1C[C@H]2OC[C@H](CC(=O)NCc3cccs3)[C@H]2C1 ZINC000096216195 407251385 /nfs/dbraw/zinc/25/13/85/407251385.db2.gz HBBBLDPALBUBSH-NWANDNLSSA-N 0 3 324.446 1.348 40 0 DDABHN CC(C)NC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1 ZINC000096228037 407253721 /nfs/dbraw/zinc/25/37/21/407253721.db2.gz QMQLVBDNBOQCTB-UHFFFAOYSA-N 0 3 310.442 1.123 40 0 DDABHN CNC(=O)CN1CCCC12CCN(C(=O)c1ccco1)CC2 ZINC000096227921 407253878 /nfs/dbraw/zinc/25/38/78/407253878.db2.gz LGCLZEUOJLCCSU-UHFFFAOYSA-N 0 3 305.378 1.096 40 0 DDABHN O=C(NCC1CCOCC1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000096042959 407226101 /nfs/dbraw/zinc/22/61/01/407226101.db2.gz BMCNZIDNCQBLTO-BHYGNILZSA-N 0 3 322.449 1.561 40 0 DDABHN COCCN1CCOC[C@@]2(CCCN(Cc3ccco3)C2)C1 ZINC000096049454 407226950 /nfs/dbraw/zinc/22/69/50/407226950.db2.gz LOFVRMXGKXOCTC-KRWDZBQOSA-N 0 3 308.422 1.840 40 0 DDABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)o1 ZINC000096056250 407229269 /nfs/dbraw/zinc/22/92/69/407229269.db2.gz UYMAEWZZOLAKMI-RYQLBKOJSA-N 0 3 320.433 1.757 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3sccc3C)C[C@@H]2C1 ZINC000096107981 407237715 /nfs/dbraw/zinc/23/77/15/407237715.db2.gz JFNPZLDYTXAAEY-LSDHHAIUSA-N 0 3 310.463 1.836 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(C(=O)CN)C2CC2)CC1 ZINC000100178059 407307307 /nfs/dbraw/zinc/30/73/07/407307307.db2.gz CZRKRXDDCSBOEL-TXEJJXNPSA-N 0 3 311.426 1.772 40 0 DDABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN(CCO)CCO ZINC000002694470 286814392 /nfs/dbraw/zinc/81/43/92/286814392.db2.gz BWBYPUBKWIJSCS-CABCVRRESA-N 0 3 311.422 1.226 40 0 DDABHN COCCN1CCCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000108535707 407387174 /nfs/dbraw/zinc/38/71/74/407387174.db2.gz JJXZKRRNPMDEGZ-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN CN1CCC(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000257208543 407495079 /nfs/dbraw/zinc/49/50/79/407495079.db2.gz BMPFXLYYEGXHOS-KRWDZBQOSA-N 0 3 301.434 1.844 40 0 DDABHN COC[C@H]1C[C@@H](NCc2cccc(C(F)(F)F)c2)[C@H](O)[C@@H]1O ZINC000225508777 407592504 /nfs/dbraw/zinc/59/25/04/407592504.db2.gz ZLOYZNUVMVDLNR-ZRJCITRHSA-N 0 3 319.323 1.552 40 0 biogenic,in-vitro DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]21 ZINC000096043461 277009301 /nfs/dbraw/zinc/00/93/01/277009301.db2.gz VJCYUFKSYWAOKO-BZUAXINKSA-N 0 3 306.381 1.799 40 0 DDABHN N[C@@H](CN1C(=O)CCCC1=O)c1ccc(Br)cc1 ZINC000228981621 563914635 /nfs/dbraw/zinc/91/46/35/563914635.db2.gz VUVMEHUTSCGIFQ-NSHDSACASA-N 0 3 311.179 1.988 40 0 DDABHN CCN(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412385 185170388 /nfs/dbraw/zinc/17/03/88/185170388.db2.gz MUJZZCOORHWTRQ-HNNXBMFYSA-N 0 3 319.405 1.452 40 0 DDABHN C[C@H](N)C(=O)NC[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393030 185168377 /nfs/dbraw/zinc/16/83/77/185168377.db2.gz PVYRWOPHRRIRGG-GXTWGEPZSA-N 0 3 305.378 1.251 40 0 DDABHN CN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392862 185168536 /nfs/dbraw/zinc/16/85/36/185168536.db2.gz NGKJFHJMXVQKKA-HNNXBMFYSA-N 0 3 319.405 1.452 40 0 DDABHN CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](N)CO[C@H]23)cc1 ZINC000004236091 181086768 /nfs/dbraw/zinc/08/67/68/181086768.db2.gz ITHWCKHSYMWNDC-GBJTYRQASA-N 0 3 306.362 1.852 40 0 biogenic,in-vitro DDABHN Cc1cccc(OC[C@@]2(O)COCCN(C3CCOCC3)C2)c1 ZINC000585269375 354818657 /nfs/dbraw/zinc/81/86/57/354818657.db2.gz QTJRWTZVMZFUCY-SFHVURJKSA-N 0 3 321.417 1.616 40 0 DDABHN Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC000257334746 203055846 /nfs/dbraw/zinc/05/58/46/203055846.db2.gz YHFHSWHKYHPFRU-CQSZACIVSA-N 0 3 306.410 1.494 40 0 DDABHN C[C@@H](Sc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022934870 182342404 /nfs/dbraw/zinc/34/24/04/182342404.db2.gz DPPZUAHMAXSSDP-OAHLLOKOSA-N 0 3 321.490 1.921 40 0 DDABHN COc1cc(C[C@@H]2[C@@H](O)C3CCN2CC3)cc(OC)c1OC ZINC000001688566 406674043 /nfs/dbraw/zinc/67/40/43/406674043.db2.gz CSOPYOZGEXBZJX-CJNGLKHVSA-N 0 3 307.390 1.710 40 0 DDABHN O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NCc1cccnc1 ZINC000036739942 406982693 /nfs/dbraw/zinc/98/26/93/406982693.db2.gz IKMGZBQFYOOOPB-QZTJIDSGSA-N 0 3 315.392 1.946 40 0 DDABHN Cc1ccccc1[C@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000039921218 407001795 /nfs/dbraw/zinc/00/17/95/407001795.db2.gz KSABSILFCAXRFB-AWEZNQCLSA-N 0 3 305.341 1.992 40 0 DDABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC000096245551 407255953 /nfs/dbraw/zinc/25/59/53/407255953.db2.gz GVNIZJWLNKNPGT-IRXDYDNUSA-N 0 3 323.396 1.991 40 0 DDABHN O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCCC1 ZINC000096040995 407225539 /nfs/dbraw/zinc/22/55/39/407225539.db2.gz WASVOHZWFRSDOT-BPUTZDHNSA-N 0 3 308.422 1.267 40 0 DDABHN CN(C)CCOC[C@@H]1CN(Cc2ccco2)Cc2nnn(C)c21 ZINC000096060653 407231554 /nfs/dbraw/zinc/23/15/54/407231554.db2.gz BUCYETWIBXKPGI-ZDUSSCGKSA-N 0 3 319.409 1.086 40 0 DDABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096061127 407231975 /nfs/dbraw/zinc/23/19/75/407231975.db2.gz KMOIFIGUUNAPEC-AWEZNQCLSA-N 0 3 306.410 1.022 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(C(=O)c1ccco1)C2 ZINC000096062317 407233229 /nfs/dbraw/zinc/23/32/29/407233229.db2.gz NPVAICTUNDHIDN-INIZCTEOSA-N 0 3 308.378 1.091 40 0 DDABHN CC(C)CN1CCC2(CCN(Cc3cnn(C)c3)CC2)C1=O ZINC000096157730 407241370 /nfs/dbraw/zinc/24/13/70/407241370.db2.gz DLDSCNFEYFCPCJ-UHFFFAOYSA-N 0 3 304.438 1.891 40 0 DDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1scnc1C)CC2 ZINC000096207483 407249961 /nfs/dbraw/zinc/24/99/61/407249961.db2.gz APKNLLYDTXYQIM-GFCCVEGCSA-N 0 3 309.435 1.426 40 0 DDABHN C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN([C@H]1CCOC1)CC2 ZINC000107208252 407370895 /nfs/dbraw/zinc/37/08/95/407370895.db2.gz KOJMXNNWQJMJLY-NEPJUHHUSA-N 0 3 304.394 1.181 40 0 DDABHN CNC(=O)c1c[nH]nc1C1(C)CCN(Cc2cnc[nH]2)CC1 ZINC000257210349 407497773 /nfs/dbraw/zinc/49/77/73/407497773.db2.gz BUFJRUZJMDMWSB-UHFFFAOYSA-N 0 3 302.382 1.046 40 0 DDABHN O=C(COc1ccccc1Cl)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257264062 407527119 /nfs/dbraw/zinc/52/71/19/407527119.db2.gz LSSRQGZWTHTARG-ZIAGYGMSSA-N 0 3 324.808 1.386 40 0 DDABHN Cc1cccc(CN2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)n1 ZINC000248157361 408539227 /nfs/dbraw/zinc/53/92/27/408539227.db2.gz ZQZVEFVKZAZYMR-ROUUACIJSA-N 0 3 319.449 1.702 40 0 DDABHN CC(C)N(C[C@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409288 279457037 /nfs/dbraw/zinc/45/70/37/279457037.db2.gz MITILVWDBCYFTF-CYBMUJFWSA-N 0 3 313.442 1.972 40 0 DDABHN Cc1ncc2cc(C)nc([C@H]3CCCCN3S(C)(=O)=O)n12 ZINC000257245013 302707049 /nfs/dbraw/zinc/70/70/49/302707049.db2.gz INTSIVCSJRNGHW-CYBMUJFWSA-N 0 3 308.407 1.833 40 0 DDABHN NC(=O)c1cccc(-c2nccc([C@@H]3CCCN3CCO)n2)c1 ZINC000072355776 191130724 /nfs/dbraw/zinc/13/07/24/191130724.db2.gz DUIRQDLLRMISAS-HNNXBMFYSA-N 0 3 312.373 1.372 40 0 DDABHN O=C(C1=CCCCC1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093745 354803634 /nfs/dbraw/zinc/80/36/34/354803634.db2.gz BUQACCNZGCJKFS-OAHLLOKOSA-N 0 3 304.434 1.792 40 0 DDABHN CN1CCC(C(=O)N2CC[C@](O)(COc3ccccc3)C2)CC1 ZINC000585269519 354818749 /nfs/dbraw/zinc/81/87/49/354818749.db2.gz XXPMUHRFUDHTKD-GOSISDBHSA-N 0 3 318.417 1.371 40 0 DDABHN c1ccc(-c2nnn(C[C@@H]3CCCN3Cc3ccncc3)n2)nc1 ZINC000019403522 182121853 /nfs/dbraw/zinc/12/18/53/182121853.db2.gz UWAPQRRFJBGDNL-HNNXBMFYSA-N 0 3 321.388 1.795 40 0 DDABHN [NH3+][C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1 ZINC000019332491 182116454 /nfs/dbraw/zinc/11/64/54/182116454.db2.gz GPSRGHFZFVHXSO-CQSZACIVSA-N 0 3 302.353 1.752 40 0 DDABHN COc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)c(OC)c1 ZINC000019575253 182131647 /nfs/dbraw/zinc/13/16/47/182131647.db2.gz VWIYNOSNUHBASB-BPLDGKMQSA-N 0 3 306.406 1.343 40 0 DDABHN CN(C)CCNC(=S)Nc1ccc(N2CCCC2=O)cc1 ZINC000041466421 183192708 /nfs/dbraw/zinc/19/27/08/183192708.db2.gz MXQNDWYNLDPZHJ-UHFFFAOYSA-N 0 3 306.435 1.661 40 0 DDABHN NC[C@@H]1CCN(c2ccc(Br)cc2)S1(=O)=O ZINC000222542969 407558861 /nfs/dbraw/zinc/55/88/61/407558861.db2.gz XKMUXTGRCJYRJQ-JTQLQIEISA-N 0 3 305.197 1.316 40 0 DDABHN N[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001719793 406678057 /nfs/dbraw/zinc/67/80/57/406678057.db2.gz KGXGNCWRTGFTGA-CVEARBPZSA-N 0 3 301.298 1.877 40 0 DDABHN CNC(=O)CN1CCCC12CCN(C(=O)c1ccoc1)CC2 ZINC000096227922 407253890 /nfs/dbraw/zinc/25/38/90/407253890.db2.gz PEXOMBOSROJXMT-UHFFFAOYSA-N 0 3 305.378 1.096 40 0 DDABHN CN(C)C(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042699 407226284 /nfs/dbraw/zinc/22/62/84/407226284.db2.gz XCZKBXXYVNWXFG-GVDBMIGSSA-N 0 3 302.418 1.797 40 0 DDABHN COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000096042704 407226473 /nfs/dbraw/zinc/22/64/73/407226473.db2.gz UWPAHGLIZQFTTB-GVDBMIGSSA-N 0 3 318.417 1.429 40 0 DDABHN c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096072940 407235362 /nfs/dbraw/zinc/23/53/62/407235362.db2.gz VSMNBXKPHKSAHQ-WBVHZDCISA-N 0 3 311.389 1.717 40 0 DDABHN COc1ccc(CN2CC[C@@H](O)[C@@H]2Cc2cnn(C)c2)cc1 ZINC000096200170 407247467 /nfs/dbraw/zinc/24/74/67/407247467.db2.gz SCIRIHXLAPNEKC-DLBZAZTESA-N 0 3 301.390 1.607 40 0 DDABHN COc1ccc(CC(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 ZINC000096201925 407248492 /nfs/dbraw/zinc/24/84/92/407248492.db2.gz WXIBFUOSLQVBRH-GOSISDBHSA-N 0 3 318.417 1.418 40 0 DDABHN CN1CC[C@@]2(C1)CCC[C@H](CNS(=O)(=O)c1ccccc1)O2 ZINC000096207647 407249381 /nfs/dbraw/zinc/24/93/81/407249381.db2.gz LEGKKJVHUGFMAU-GDBMZVCRSA-N 0 3 324.446 1.608 40 0 DDABHN O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@H]1CNCCO1 ZINC000257198241 407491388 /nfs/dbraw/zinc/49/13/88/407491388.db2.gz WYBFVLBORQSDFQ-SNVBAGLBSA-N 0 3 314.267 1.509 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000257202755 407494557 /nfs/dbraw/zinc/49/45/57/407494557.db2.gz ANGUEMGQRAGITJ-QGZVFWFLSA-N 0 3 316.405 1.021 40 0 DDABHN O=C(CCOc1ccccc1F)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257244579 407515165 /nfs/dbraw/zinc/51/51/65/407515165.db2.gz ILYAWRDOVGNZRK-HUUCEWRRSA-N 0 3 322.380 1.262 40 0 DDABHN COc1ccc([C@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)cc1 ZINC000257245685 407518389 /nfs/dbraw/zinc/51/83/89/407518389.db2.gz IQQAKLCPTHKGJU-MRXNPFEDSA-N 0 3 314.389 1.476 40 0 DDABHN Cc1cc(C(=O)N(C)CCN(C)C)nc([C@@H]2CCCN2C)n1 ZINC000257271348 407528804 /nfs/dbraw/zinc/52/88/04/407528804.db2.gz MXYGFGXFTARKFT-AWEZNQCLSA-N 0 3 305.426 1.185 40 0 DDABHN CC(=O)N1CCC(N2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257290238 407532273 /nfs/dbraw/zinc/53/22/73/407532273.db2.gz QCDAFJKYYLJMSG-GOSISDBHSA-N 0 3 301.434 1.986 40 0 DDABHN COc1ccc(C2(C(=O)N3CC[C@](O)(CN(C)C)C3)CC2)cc1 ZINC000257291711 407533856 /nfs/dbraw/zinc/53/38/56/407533856.db2.gz QIHLMRNNWASHHG-KRWDZBQOSA-N 0 3 318.417 1.252 40 0 DDABHN Cc1cccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)n1 ZINC000248157364 408541185 /nfs/dbraw/zinc/54/11/85/408541185.db2.gz ZQZVEFVKZAZYMR-ZWKOTPCHSA-N 0 3 319.449 1.702 40 0 DDABHN Cc1ccc([C@H](N)c2nnc(CCN3CCOCC3)[nH]2)cc1 ZINC000095534126 185379364 /nfs/dbraw/zinc/37/93/64/185379364.db2.gz ORKIQEZXHYGALF-HNNXBMFYSA-N 0 3 301.394 1.036 40 0 DDABHN Cc1ccc([C@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 ZINC000095534126 185379365 /nfs/dbraw/zinc/37/93/65/185379365.db2.gz ORKIQEZXHYGALF-HNNXBMFYSA-N 0 3 301.394 1.036 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000079412686 185170422 /nfs/dbraw/zinc/17/04/22/185170422.db2.gz BFDWAKAMFAYIKM-GXTWGEPZSA-N 0 3 305.378 1.251 40 0 DDABHN Cc1c(C[N@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cnn1C ZINC000072336060 191126629 /nfs/dbraw/zinc/12/66/29/191126629.db2.gz UBVFMCVVSTVSDJ-DOMZBBRYSA-N 0 3 313.405 1.282 40 0 DDABHN Cc1c(C[N@@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)cnn1C ZINC000072336060 191126630 /nfs/dbraw/zinc/12/66/30/191126630.db2.gz UBVFMCVVSTVSDJ-DOMZBBRYSA-N 0 3 313.405 1.282 40 0 DDABHN OCCN1CCC(Cc2nccnc2Nc2ccccn2)CC1 ZINC000072363462 191133426 /nfs/dbraw/zinc/13/34/26/191133426.db2.gz RBIYUUAYDPBBPY-UHFFFAOYSA-N 0 3 313.405 1.862 40 0 DDABHN OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)N1Cc1ccccc1 ZINC000585292947 354826042 /nfs/dbraw/zinc/82/60/42/354826042.db2.gz QDEOGAKETNZMOZ-ZSYWTGECSA-N 0 3 313.397 1.196 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000257273371 203001976 /nfs/dbraw/zinc/00/19/76/203001976.db2.gz NGGYQDRCRNIHKF-IBGZPJMESA-N 0 3 312.413 1.907 40 0 DDABHN Cc1cccc(C(=O)N2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)n1 ZINC000096053821 193505079 /nfs/dbraw/zinc/50/50/79/193505079.db2.gz DXJNEAGZNDASLP-HOTGVXAUSA-N 0 3 322.412 1.989 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(CC)cc1 ZINC000242575129 257120478 /nfs/dbraw/zinc/12/04/78/257120478.db2.gz NSWHTGUSYRGYPH-BZUAXINKSA-N 0 3 311.447 1.741 40 0 DDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000252517075 257106269 /nfs/dbraw/zinc/10/62/69/257106269.db2.gz ZIAHXLVQMCPXBT-OAGGEKHMSA-N 0 3 302.399 1.283 40 0 DDABHN CCOCCN1C[C@H]2OC[C@H](C(=O)Nc3cccnc3)[C@H]2C1 ZINC000096219569 407252353 /nfs/dbraw/zinc/25/23/53/407252353.db2.gz UQNMKCYJDVJEAW-QLFBSQMISA-N 0 3 305.378 1.003 40 0 DDABHN Cn1cc(N2C[C@@]3(CCN(Cc4ccncc4)C3)CC2=O)cn1 ZINC000096239303 407255215 /nfs/dbraw/zinc/25/52/15/407255215.db2.gz QESAAOUWRYWRIK-KRWDZBQOSA-N 0 3 311.389 1.444 40 0 DDABHN Cn1cc(N2CC[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2=O)cn1 ZINC000096249155 407255923 /nfs/dbraw/zinc/25/59/23/407255923.db2.gz MVCKRQMVDQOPSS-ZBFHGGJFSA-N 0 3 311.389 1.300 40 0 DDABHN CCn1nnc2c1CCN(CCN1CCCCC1)[C@H]2COC ZINC000096045332 407225839 /nfs/dbraw/zinc/22/58/39/407225839.db2.gz YNCNNVDEUOIEAL-HNNXBMFYSA-N 0 3 307.442 1.330 40 0 DDABHN COCCN1C(=O)CC[C@@]12CCCN(Cc1cnn(C)c1)CC2 ZINC000096047516 407227376 /nfs/dbraw/zinc/22/73/76/407227376.db2.gz BQNJFTIATOAVFR-QGZVFWFLSA-N 0 3 320.437 1.414 40 0 DDABHN CN(C)CCO[C@H]1CN(Cc2ccncc2)[C@@H]2CCCO[C@@H]21 ZINC000096057457 407230641 /nfs/dbraw/zinc/23/06/41/407230641.db2.gz LEIIOBVFEWFWDY-IKGGRYGDSA-N 0 3 305.422 1.392 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccoc1)CCC2 ZINC000096059561 407231696 /nfs/dbraw/zinc/23/16/96/407231696.db2.gz LIIFLOSHYVDJAZ-UHFFFAOYSA-N 0 3 302.378 1.304 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000096076244 407234824 /nfs/dbraw/zinc/23/48/24/407234824.db2.gz WPTSUELBQZMRJY-RDJZCZTQSA-N 0 3 310.438 1.515 40 0 DDABHN c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096072938 407235116 /nfs/dbraw/zinc/23/51/16/407235116.db2.gz VSMNBXKPHKSAHQ-NVXWUHKLSA-N 0 3 311.389 1.717 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1cccs1)CC[C@H]2OC ZINC000096108522 407237989 /nfs/dbraw/zinc/23/79/89/407237989.db2.gz LLPFTHCMRRNDSS-RRFJBIMHSA-N 0 3 308.447 1.858 40 0 DDABHN O=C(c1ccnnc1)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096161561 407242227 /nfs/dbraw/zinc/24/22/27/407242227.db2.gz BSBMGUIMTKFTTA-OKILXGFUSA-N 0 3 314.414 1.742 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC000096161560 407242518 /nfs/dbraw/zinc/24/25/18/407242518.db2.gz XERFZZJOTZFKHU-BETUJISGSA-N 0 3 314.414 1.742 40 0 DDABHN CS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@H]1Cc1cccnc1 ZINC000096200881 407248908 /nfs/dbraw/zinc/24/89/08/407248908.db2.gz WTRUZKWKYAKLJX-CABCVRRESA-N 0 3 309.435 1.026 40 0 DDABHN Cc1ccc(N2CCO[C@H]3CN(CC4CC4)CC[C@H]3C2=O)cn1 ZINC000096206939 407249808 /nfs/dbraw/zinc/24/98/08/407249808.db2.gz PFPIUMQQYYWJIE-SJORKVTESA-N 0 3 315.417 1.854 40 0 DDABHN c1cn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)cn1 ZINC000253476828 407452292 /nfs/dbraw/zinc/45/22/92/407452292.db2.gz BOPKJIKXOJLDEX-BBWFWOEESA-N 0 3 305.422 1.789 40 0 DDABHN CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000252518061 222246764 /nfs/dbraw/zinc/24/67/64/222246764.db2.gz YPMCPCGCEKYSIB-SHTZXODSSA-N 0 3 319.405 1.641 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)Cc3ccsc3)CC[C@@H]2C1 ZINC000096249570 276207687 /nfs/dbraw/zinc/20/76/87/276207687.db2.gz ZAVOOKGGEXADCN-HUUCEWRRSA-N 0 3 308.447 1.860 40 0 DDABHN CN1C(=O)CO[C@H]2CCN(Cc3cccc4cccnc43)C[C@@H]21 ZINC000257231546 277010211 /nfs/dbraw/zinc/01/02/11/277010211.db2.gz GHFGPTIYSLTUIH-HOTGVXAUSA-N 0 3 311.385 1.666 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391404 280271327 /nfs/dbraw/zinc/27/13/27/280271327.db2.gz OEYWHFOMTYYOBG-ZDUSSCGKSA-N 0 3 313.442 1.828 40 0 DDABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2cccs2)[C@@H]1O ZINC000952844732 775565908 /nfs/dbraw/zinc/56/59/08/775565908.db2.gz HTRIDOAMTCLHMW-ARILJUKYSA-N 0 3 321.402 1.069 40 0 biogenic,in-vitro DDABHN CC(C)N(Cc1ccnc(Br)c1)C(=O)[C@H](C)N ZINC000079421631 185171017 /nfs/dbraw/zinc/17/10/17/185171017.db2.gz ZUOLQSICFCBCFJ-VIFPVBQESA-N 0 3 300.200 1.928 40 0 DDABHN NCC(=O)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079392812 185168440 /nfs/dbraw/zinc/16/84/40/185168440.db2.gz UKBGMEYXUTXDNN-CQSZACIVSA-N 0 3 305.378 1.253 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cccn2C)[C@H]1Cc1cnn(C)c1 ZINC000096200906 282200985 /nfs/dbraw/zinc/20/09/85/282200985.db2.gz CPCWKLXYXNCITR-ZBFHGGJFSA-N 0 3 315.421 1.146 40 0 DDABHN O=C(c1cc2cccc(F)c2[nH]1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000299850748 354457660 /nfs/dbraw/zinc/45/76/60/354457660.db2.gz LUCFAKVQFXACFQ-HUUCEWRRSA-N 0 3 317.364 1.588 40 0 DDABHN O[C@@]1(COc2cc(F)cc(F)c2)COCCN(C2CCC2)C1 ZINC000585283731 354823387 /nfs/dbraw/zinc/82/33/87/354823387.db2.gz UCZCJELLRINRLI-MRXNPFEDSA-N 0 3 313.344 1.959 40 0 DDABHN O[C@@H]1COC[C@@H](CNCc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000585285991 354824326 /nfs/dbraw/zinc/82/43/26/354824326.db2.gz GUCFZPQOJVXJHX-RTXFEEFZSA-N 0 3 305.296 1.163 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cccnc2)c1 ZINC000257221253 202954763 /nfs/dbraw/zinc/95/47/63/202954763.db2.gz DODAFLAYTFXLDI-KRWDZBQOSA-N 0 3 310.401 1.588 40 0 DDABHN CNc1nccnc1C[C@@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000257279961 203008847 /nfs/dbraw/zinc/00/88/47/203008847.db2.gz OIXFFCVIYSRDHI-ZDUSSCGKSA-N 0 3 317.437 1.571 40 0 DDABHN O=C(C1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019292334 182113383 /nfs/dbraw/zinc/11/33/83/182113383.db2.gz CLSLENGTXPVPIX-OAHLLOKOSA-N 0 3 300.406 1.976 40 0 DDABHN CCN(CC)CCN[C@@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020227221 182199579 /nfs/dbraw/zinc/19/95/79/182199579.db2.gz KUFCRLQGMDIKNO-OAHLLOKOSA-N 0 3 308.378 1.804 40 0 DDABHN NC[C@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036708 257131628 /nfs/dbraw/zinc/13/16/28/257131628.db2.gz ZIAHXLVQMCPXBT-PMPSAXMXSA-N 0 3 302.399 1.283 40 0 DDABHN CN1CCC[C@H](NC(=O)COc2ncnc3ccccc32)C1 ZINC000012195064 406838458 /nfs/dbraw/zinc/83/84/58/406838458.db2.gz ALMZOOYBURVWCH-LBPRGKRZSA-N 0 3 300.362 1.219 40 0 DDABHN O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000096042999 407226495 /nfs/dbraw/zinc/22/64/95/407226495.db2.gz SUJJDKVWWVQPNV-BHYGNILZSA-N 0 3 300.402 1.945 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096053757 407229230 /nfs/dbraw/zinc/22/92/30/407229230.db2.gz ZMNSSYQOKAJHCG-IAGOWNOFSA-N 0 3 308.385 1.681 40 0 DDABHN c1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)cs1 ZINC000096055010 407229497 /nfs/dbraw/zinc/22/94/97/407229497.db2.gz FAEGGLWVNGHJFD-HUUCEWRRSA-N 0 3 316.430 1.876 40 0 DDABHN CN(C)CCO[C@H]1CN(Cc2nccs2)[C@@H]2CCCO[C@@H]21 ZINC000096057450 407231009 /nfs/dbraw/zinc/23/10/09/407231009.db2.gz CZMFGTXRMREGJX-IPYPFGDCSA-N 0 3 311.451 1.453 40 0 DDABHN CN(C)C(=O)CO[C@H]1CO[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096107701 407238143 /nfs/dbraw/zinc/23/81/43/407238143.db2.gz OZIHLPPFHCFJIF-ZBFHGGJFSA-N 0 3 324.446 1.586 40 0 DDABHN CS(=O)(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158392 407241833 /nfs/dbraw/zinc/24/18/33/407241833.db2.gz JAMSIIVWKVBEST-UHFFFAOYSA-N 0 3 323.462 1.719 40 0 DDABHN O=C(c1ccnnc1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161493 407242794 /nfs/dbraw/zinc/24/27/94/407242794.db2.gz JHRNIIUVANOYGO-IYBDPMFKSA-N 0 3 309.373 1.076 40 0 DDABHN Cc1ccccc1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108527221 407387332 /nfs/dbraw/zinc/38/73/32/407387332.db2.gz WCLYUQJTHCMDPW-UHFFFAOYSA-N 0 3 308.447 1.899 40 0 DDABHN CC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCCC1 ZINC000257201892 407491501 /nfs/dbraw/zinc/49/15/01/407491501.db2.gz AJNNOJGANWVFAM-NCOADZHNSA-N 0 3 322.380 1.307 40 0 DDABHN CNc1ccc(C[C@H]2CCCN(c3cc(C)nc(N)n3)C2)nn1 ZINC000257255617 407521748 /nfs/dbraw/zinc/52/17/48/407521748.db2.gz KIFJHDZOCAECCB-GFCCVEGCSA-N 0 3 313.409 1.658 40 0 DDABHN Cc1cn(C)c([C@H]2CN(C(=O)CN3CCCCCC3)CCO2)n1 ZINC000257325604 407532700 /nfs/dbraw/zinc/53/27/00/407532700.db2.gz WTRLDCFQWJSJQR-OAHLLOKOSA-N 0 3 320.437 1.504 40 0 DDABHN O=C1CO[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1cccc(F)c1 ZINC000096246424 275019087 /nfs/dbraw/zinc/01/90/87/275019087.db2.gz YQDWCXRSMZJWQR-HZPDHXFCSA-N 0 3 304.365 1.647 40 0 DDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(c1ncccn1)C2 ZINC000096039517 276762913 /nfs/dbraw/zinc/76/29/13/276762913.db2.gz LHSWCDZUSWIOBT-DOTOQJQBSA-N 0 3 320.437 1.430 40 0 DDABHN O=C([C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCCC1 ZINC000096100066 280111737 /nfs/dbraw/zinc/11/17/37/280111737.db2.gz WASVOHZWFRSDOT-CWRNSKLLSA-N 0 3 308.422 1.267 40 0 DDABHN CN(C)CCO[C@H]1CN(C(=O)c2ccccc2)[C@@H]2CCCO[C@@H]21 ZINC000096187026 282109741 /nfs/dbraw/zinc/10/97/41/282109741.db2.gz MOKQFZQGCAXVHI-IKGGRYGDSA-N 0 3 318.417 1.637 40 0 DDABHN CN(C)CCN1CC[C@H]2[C@H]1CCN2C(=O)Cc1ccsc1 ZINC000306134148 231087067 /nfs/dbraw/zinc/08/70/67/231087067.db2.gz NEKDZFWFYGRYRS-CABCVRRESA-N 0 3 307.463 1.527 40 0 DDABHN Cc1ccc(CN2C[C@H]3OC[C@H](CNC(=O)N(C)C)[C@H]3C2)s1 ZINC000306141405 231090432 /nfs/dbraw/zinc/09/04/32/231090432.db2.gz VUSCFSVLMLVXIZ-NWANDNLSSA-N 0 3 323.462 1.775 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccnn3C)CCO2)c1 ZINC000257344293 203067267 /nfs/dbraw/zinc/06/72/67/203067267.db2.gz ZWMLWRMKPFGJOB-OAHLLOKOSA-N 0 3 315.377 1.379 40 0 DDABHN O=C(CN1CCNCC1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000023292103 182356403 /nfs/dbraw/zinc/35/64/03/182356403.db2.gz LKVUNBJNCSAINN-UHFFFAOYSA-N 0 3 320.824 1.385 40 0 DDABHN CCOC[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001545 257131681 /nfs/dbraw/zinc/13/16/81/257131681.db2.gz AVVOSUKEBKSAHU-QWHCGFSZSA-N 0 3 303.811 1.868 40 0 DDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1ccn(C)n1 ZINC000072394838 406881664 /nfs/dbraw/zinc/88/16/64/406881664.db2.gz SKEFWNCCULPCPG-AWEZNQCLSA-N 0 3 314.389 1.385 40 0 DDABHN CC(C)C(=O)N[C@@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096224821 407252698 /nfs/dbraw/zinc/25/26/98/407252698.db2.gz LCOMECIIDCCILA-HNNXBMFYSA-N 0 3 320.437 1.316 40 0 DDABHN OCCN1CCC(F)(F)[C@@]2(CCN(c3ncccc3F)C2)C1 ZINC000096239814 407255082 /nfs/dbraw/zinc/25/50/82/407255082.db2.gz XCSMAUVBPYLAJK-AWEZNQCLSA-N 0 3 315.339 1.751 40 0 DDABHN O=C(c1ccccn1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246130 407256220 /nfs/dbraw/zinc/25/62/20/407256220.db2.gz ONQXSEBPCILPHD-ARFHVFGLSA-N 0 3 315.417 1.655 40 0 DDABHN Cn1cc(CN2CCc3ncnc(-c4ccncc4)c3CC2)cn1 ZINC000096255229 407257639 /nfs/dbraw/zinc/25/76/39/407257639.db2.gz CNQYRYWYPZVXGA-UHFFFAOYSA-N 0 3 320.400 1.873 40 0 DDABHN CCN1CCc2cc(C(=O)NC)c(NCC3CC3)nc2CC1 ZINC000096260557 407257752 /nfs/dbraw/zinc/25/77/52/407257752.db2.gz FBZWDPTXUKMYEZ-UHFFFAOYSA-N 0 3 302.422 1.684 40 0 DDABHN CCN1C(=O)[C@H](c2ccccc2)CC12CCN(CCO)CC2 ZINC000096261155 407258338 /nfs/dbraw/zinc/25/83/38/407258338.db2.gz LJBCSUROBZPEIH-INIZCTEOSA-N 0 3 302.418 1.849 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3F)C[C@@H]21 ZINC000096043466 407225940 /nfs/dbraw/zinc/22/59/40/407225940.db2.gz VYTQFGBTLPSURW-IIAWOOMASA-N 0 3 306.381 1.799 40 0 DDABHN O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 ZINC000096043259 407226543 /nfs/dbraw/zinc/22/65/43/407226543.db2.gz OYPNWLWCRRYKHU-IMJJTQAJSA-N 0 3 304.390 1.785 40 0 DDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21)N1CCCO1 ZINC000096058298 407230596 /nfs/dbraw/zinc/23/05/96/407230596.db2.gz UWZVHSCRBKNGEY-OWCLPIDISA-N 0 3 320.389 1.671 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1nccs1)C2 ZINC000096062298 407233080 /nfs/dbraw/zinc/23/30/80/407233080.db2.gz XWXYSVOXUZTHHJ-OAHLLOKOSA-N 0 3 311.451 1.314 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096076246 407234752 /nfs/dbraw/zinc/23/47/52/407234752.db2.gz LSXISEZYYZNQQS-KRWDZBQOSA-N 0 3 320.437 1.383 40 0 DDABHN Cn1cc(CN2CCCC23CCN(c2ncccn2)CC3)cn1 ZINC000096075336 407234810 /nfs/dbraw/zinc/23/48/10/407234810.db2.gz IQWCCXNNIHLGLN-UHFFFAOYSA-N 0 3 312.421 1.845 40 0 DDABHN CN(C)C(=O)c1nc2c(s1)CCN(C[C@@H]1CCOC1)CC2 ZINC000096187579 407245473 /nfs/dbraw/zinc/24/54/73/407245473.db2.gz ILYXVQCZOWVXAF-NSHDSACASA-N 0 3 309.435 1.282 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(S(=O)(=O)c1cccs1)C2 ZINC000096201928 407248876 /nfs/dbraw/zinc/24/88/76/407248876.db2.gz DYBZXCDCDRDVPK-ZDUSSCGKSA-N 0 3 316.448 1.091 40 0 DDABHN COc1cccc(CN2C[C@@H]3COC[C@]3(c3nnc(C)o3)C2)c1 ZINC000096209389 407250565 /nfs/dbraw/zinc/25/05/65/407250565.db2.gz UFIQCAPXHKSBKN-RHSMWYFYSA-N 0 3 315.373 1.787 40 0 DDABHN NCC(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177832 407307327 /nfs/dbraw/zinc/30/73/27/407307327.db2.gz VZQIYOXPHSGNBZ-OKILXGFUSA-N 0 3 305.378 1.299 40 0 DDABHN O=C(CC1CC1)N1CC[C@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257213349 407496841 /nfs/dbraw/zinc/49/68/41/407496841.db2.gz CHEKHXKPGUWDIH-AWEZNQCLSA-N 0 3 302.365 1.481 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000257242882 407512790 /nfs/dbraw/zinc/51/27/90/407512790.db2.gz IEPDQCQVIGRFAB-INIZCTEOSA-N 0 3 306.381 1.382 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218521034 407518823 /nfs/dbraw/zinc/51/88/23/407518823.db2.gz ZUJZVZIEQXDYDF-RDBSUJKOSA-N 0 3 301.383 1.318 40 0 DDABHN NCc1cn(-c2ccccc2C(=O)NCc2ccccn2)cn1 ZINC000257259146 407524132 /nfs/dbraw/zinc/52/41/32/407524132.db2.gz KXBUUVRZKLIYGA-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN CCN(CC)Cc1cnc2n1CCN(c1ccc(C)nn1)CC2 ZINC000096067878 276111078 /nfs/dbraw/zinc/11/10/78/276111078.db2.gz XMIYOXQTTGQHEC-UHFFFAOYSA-N 0 3 314.437 1.886 40 0 DDABHN O=C1c2ccccc2C(=O)N1CCc1noc([C@@H]2CCCN2)n1 ZINC000409440915 568413284 /nfs/dbraw/zinc/41/32/84/568413284.db2.gz MUNDIUFJBNHWSZ-LBPRGKRZSA-N 0 3 312.329 1.333 40 0 DDABHN NCC(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412227 185170006 /nfs/dbraw/zinc/17/00/06/185170006.db2.gz ZVLICLNVCTXJQR-CQSZACIVSA-N 0 3 305.378 1.110 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079412358 185170263 /nfs/dbraw/zinc/17/02/63/185170263.db2.gz WNHRAPQWAZFSSP-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324818 191123657 /nfs/dbraw/zinc/12/36/57/191123657.db2.gz COHAKBKQYHEPDX-RAIGVLPGSA-N 0 3 324.808 1.708 40 0 DDABHN CCc1nccn1-c1cncc([C@@H]2CCCN(CCO)C2)n1 ZINC000072355524 191130369 /nfs/dbraw/zinc/13/03/69/191130369.db2.gz NZXIRLDXOANROH-CYBMUJFWSA-N 0 3 301.394 1.396 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000004497846 181116009 /nfs/dbraw/zinc/11/60/09/181116009.db2.gz JOMCDZRNPJSYQF-CYBMUJFWSA-N 0 3 305.378 1.234 40 0 DDABHN Cc1n[nH]cc1CN1CCC[C@]12CC(C)(C)O[C@H]2CC(N)=O ZINC000585292104 354826064 /nfs/dbraw/zinc/82/60/64/354826064.db2.gz XJYZLYSEXCNDJQ-XJKSGUPXSA-N 0 3 306.410 1.496 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccon3)CCO2)n1 ZINC000257305505 203030298 /nfs/dbraw/zinc/03/02/98/203030298.db2.gz SQIBJGZMPSRJQO-HNNXBMFYSA-N 0 3 316.361 1.658 40 0 DDABHN Cc1ccc2c(CC(=O)N3CC[C@](O)(CN(C)C)C3)coc2c1 ZINC000257307886 203031890 /nfs/dbraw/zinc/03/18/90/203031890.db2.gz TUNBNGWSJFTSGU-SFHVURJKSA-N 0 3 316.401 1.809 40 0 DDABHN COc1cccc(C[C@@H]2CC3(CO2)CCN(C(=O)CN)CC3)c1 ZINC000257331973 203054404 /nfs/dbraw/zinc/05/44/04/203054404.db2.gz XVEFOOWGTLAYHC-MRXNPFEDSA-N 0 3 318.417 1.594 40 0 DDABHN c1cn(-c2cncc([C@@H]3CCCN(Cc4cnc[nH]4)C3)n2)cn1 ZINC000257333084 203055937 /nfs/dbraw/zinc/05/59/37/203055937.db2.gz YABRSSAXGWAZTM-CYBMUJFWSA-N 0 3 309.377 1.765 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cccn3C)CCO2)c1 ZINC000257343865 203066787 /nfs/dbraw/zinc/06/67/87/203066787.db2.gz ZURVCVISOMNYAF-MRXNPFEDSA-N 0 3 314.389 1.984 40 0 DDABHN Cn1cc(CN2CCC3(C[C@H](c4cnn(C)c4)CO3)CC2)cn1 ZINC000096047792 193501663 /nfs/dbraw/zinc/50/16/63/193501663.db2.gz XJVWBHMAFFLPML-HNNXBMFYSA-N 0 3 315.421 1.692 40 0 DDABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000096061139 193513677 /nfs/dbraw/zinc/51/36/77/193513677.db2.gz SNYSWELHLYCJJX-OAHLLOKOSA-N 0 3 303.406 1.683 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1coc2ccccc2c1=O ZINC000019576032 182131613 /nfs/dbraw/zinc/13/16/13/182131613.db2.gz FHHUJWKASGMLKV-NWANDNLSSA-N 0 3 314.385 1.432 40 0 DDABHN O=c1[n-]c(C2CC[NH2+]CC2)nc2c1CN(Cc1ccccc1)CC2 ZINC000019372317 285195751 /nfs/dbraw/zinc/19/57/51/285195751.db2.gz JEQPAUBQWGXAFD-UHFFFAOYSA-N 0 3 324.428 1.795 40 0 DDABHN NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242648308 257120506 /nfs/dbraw/zinc/12/05/06/257120506.db2.gz QRJAPCLRNUHVBA-XHSDSOJGSA-N 0 3 320.389 1.422 40 0 DDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 ZINC000218494749 257130730 /nfs/dbraw/zinc/13/07/30/257130730.db2.gz DPYHRDDCUSZRRL-PMPSAXMXSA-N 0 3 311.447 1.741 40 0 DDABHN O=C([C@@H]1CCCO1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228797 407253564 /nfs/dbraw/zinc/25/35/64/407253564.db2.gz YKISACPCJDJMTE-WMZOPIPTSA-N 0 3 322.449 1.516 40 0 DDABHN O=C([C@H]1CCOC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096038525 407224273 /nfs/dbraw/zinc/22/42/73/407224273.db2.gz HQARJSCWCDLRGY-SOUVJXGZSA-N 0 3 301.390 1.008 40 0 DDABHN O=C(c1ccco1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096081442 407234941 /nfs/dbraw/zinc/23/49/41/407234941.db2.gz PYCSINURTPVWFW-RRFJBIMHSA-N 0 3 304.390 1.853 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3ccccc3OC)C[C@@H]2C1 ZINC000096107982 407238061 /nfs/dbraw/zinc/23/80/61/407238061.db2.gz JPWFEWWJRCLHSB-FUHWJXTLSA-N 0 3 320.433 1.474 40 0 DDABHN Cc1ccsc1C(=O)N1C[C@H](OCCN(C)C)[C@H]2COC[C@H]21 ZINC000096184997 407244355 /nfs/dbraw/zinc/24/43/55/407244355.db2.gz OEIUVISXESTWAH-MJBXVCDLSA-N 0 3 324.446 1.474 40 0 DDABHN COc1ccc(CC(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 ZINC000096201926 407248772 /nfs/dbraw/zinc/24/87/72/407248772.db2.gz WXIBFUOSLQVBRH-SFHVURJKSA-N 0 3 318.417 1.418 40 0 DDABHN CC(C)NC(=O)[C@@H]1CCC[C@]12CCN(Cc1cnn(C)c1)C2 ZINC000108527815 407387388 /nfs/dbraw/zinc/38/73/88/407387388.db2.gz RAWFIMCDTMSNHL-DOTOQJQBSA-N 0 3 304.438 1.937 40 0 DDABHN O=C(CC1CC1)N1CC[C@@](O)(CN2CCC(F)(F)CC2)C1 ZINC000257213350 407495920 /nfs/dbraw/zinc/49/59/20/407495920.db2.gz CHEKHXKPGUWDIH-CQSZACIVSA-N 0 3 302.365 1.481 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCOc2ccccc2F)C1 ZINC000257215218 407496186 /nfs/dbraw/zinc/49/61/86/407496186.db2.gz CPEJLDVWCSTQMF-INIZCTEOSA-N 0 3 310.369 1.120 40 0 DDABHN CC(=O)NCc1cncc([C@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257233718 407510013 /nfs/dbraw/zinc/51/00/13/407510013.db2.gz GQKJMQNWZYUWKM-QGZVFWFLSA-N 0 3 317.437 1.344 40 0 DDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218523403 407520951 /nfs/dbraw/zinc/52/09/51/407520951.db2.gz LDZDZSWXYYZRHV-IXDOHACOSA-N 0 3 316.426 1.591 40 0 DDABHN O=C1CCCC[C@H]2[C@@H](C[C@@H](c3ccc(F)cc3)N2CCO)N1 ZINC000257266047 407527697 /nfs/dbraw/zinc/52/76/97/407527697.db2.gz MBINQAVYNOKDBM-PMPSAXMXSA-N 0 3 306.381 1.992 40 0 DDABHN Cc1noc(C)c1-c1cc([C@@H]2CCCN2C(=O)CN)nc(C)n1 ZINC000257281428 407529805 /nfs/dbraw/zinc/52/98/05/407529805.db2.gz OPDSWEONOMDULK-AWEZNQCLSA-N 0 3 315.377 1.679 40 0 DDABHN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CN)C1 ZINC000135443161 278398393 /nfs/dbraw/zinc/39/83/93/278398393.db2.gz XJELTUFOFGNOTB-LLVKDONJSA-N 0 3 315.414 1.802 40 0 DDABHN O=C(c1cscn1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 ZINC000107191694 280237316 /nfs/dbraw/zinc/23/73/16/280237316.db2.gz GBMATWFBSRUGJP-XJKSGUPXSA-N 0 3 321.446 1.860 40 0 DDABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000097953329 332203437 /nfs/dbraw/zinc/20/34/37/332203437.db2.gz DGEPAWMXMFROFZ-GDBMZVCRSA-N 0 3 308.378 1.023 40 0 DDABHN CN1CCC[C@@H]1c1cccc(CCC(=O)N2CCOCC2)n1 ZINC000072360436 191131650 /nfs/dbraw/zinc/13/16/50/191131650.db2.gz ZQTFDOSZMIJPKY-MRXNPFEDSA-N 0 3 303.406 1.640 40 0 DDABHN Cc1nc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CN)n1 ZINC000072360896 191132028 /nfs/dbraw/zinc/13/20/28/191132028.db2.gz LOOHIZJGLJHRCW-LLVKDONJSA-N 0 3 318.406 1.607 40 0 DDABHN CCOc1ccccc1NC(=O)C(=O)NC[C@H]1CCCN1CC ZINC000004497947 181115629 /nfs/dbraw/zinc/11/56/29/181115629.db2.gz WHKFWOSNIRUQSY-CYBMUJFWSA-N 0 3 319.405 1.624 40 0 DDABHN O=C(c1cccc([O-])c1)N1C[C@H]2OC[C@H](C[NH+]3CCCC3)[C@H]2C1 ZINC000585094044 354802786 /nfs/dbraw/zinc/80/27/86/354802786.db2.gz IBUKJRLMOCVXPM-USXIJHARSA-N 0 3 316.401 1.575 40 0 DDABHN Cc1cc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)no1 ZINC000257286589 203013816 /nfs/dbraw/zinc/01/38/16/203013816.db2.gz PMDXEJOXQPWCOV-AWEZNQCLSA-N 0 3 302.334 1.482 40 0 DDABHN CC(=O)NCc1ccnc([C@H]2CCCN2CC2CCOCC2)n1 ZINC000257327418 203051338 /nfs/dbraw/zinc/05/13/38/203051338.db2.gz XBGDLMFUORORNB-MRXNPFEDSA-N 0 3 318.421 1.676 40 0 DDABHN CN(C)Cc1cnc([C@@H]2CN(Cc3ccccn3)CCO2)[nH]1 ZINC000257316294 203040664 /nfs/dbraw/zinc/04/06/64/203040664.db2.gz VEZDJMIWSYJNGB-HNNXBMFYSA-N 0 3 301.394 1.440 40 0 DDABHN Cc1ccc(N2CCC3(CC2)COCCN3CC2CC2)nn1 ZINC000096074635 193524990 /nfs/dbraw/zinc/52/49/90/193524990.db2.gz QPMLUMXTBDGVIO-UHFFFAOYSA-N 0 3 302.422 1.866 40 0 DDABHN Cc1ccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000061524346 184172166 /nfs/dbraw/zinc/17/21/66/184172166.db2.gz NARUACHEXVXZOF-MRXNPFEDSA-N 0 3 319.449 1.516 40 0 DDABHN Cc1nc(N2CCNCC2)ccc1CNC(=O)OC(C)(C)C ZINC000072224617 257123740 /nfs/dbraw/zinc/12/37/40/257123740.db2.gz RHDTWMXLKPNUBY-UHFFFAOYSA-N 0 3 306.410 1.824 40 0 DDABHN NC[C@H]1CCN(c2ccc(Br)cc2)S1(=O)=O ZINC000222543037 407558783 /nfs/dbraw/zinc/55/87/83/407558783.db2.gz XKMUXTGRCJYRJQ-SNVBAGLBSA-N 0 3 305.197 1.316 40 0 DDABHN COc1cc(C[C@@H]2[C@H](O)C3CCN2CC3)cc(OC)c1OC ZINC000001688568 406675292 /nfs/dbraw/zinc/67/52/92/406675292.db2.gz CSOPYOZGEXBZJX-CZUORRHYSA-N 0 3 307.390 1.710 40 0 DDABHN Cc1ccc(C(C)C)c(OC[C@H](O)CN(CCO)CCO)c1 ZINC000002686803 406695722 /nfs/dbraw/zinc/69/57/22/406695722.db2.gz ZWFOAIGHKQJGOT-OAHLLOKOSA-N 0 3 311.422 1.145 40 0 DDABHN CN(CCN1CCCCC1)C(=O)Cc1ccc2c(c1)OCCO2 ZINC000012360960 406842239 /nfs/dbraw/zinc/84/22/39/406842239.db2.gz QKXKFSFMKLEYTF-UHFFFAOYSA-N 0 3 318.417 1.945 40 0 DDABHN COCCN1CCC2(CCN(Cc3cccnc3)CC2)C1=O ZINC000096046797 407227519 /nfs/dbraw/zinc/22/75/19/407227519.db2.gz LJYRKZJORRVGRH-UHFFFAOYSA-N 0 3 303.406 1.543 40 0 DDABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1 ZINC000096054160 407229790 /nfs/dbraw/zinc/22/97/90/407229790.db2.gz ZXUVUVGHLWUJJV-HZPDHXFCSA-N 0 3 323.400 1.466 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1cnn(C)c1 ZINC000096061717 407232104 /nfs/dbraw/zinc/23/21/04/407232104.db2.gz PZABQNUFHPJXHN-CVEARBPZSA-N 0 3 313.405 1.203 40 0 DDABHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 ZINC000096064341 407232628 /nfs/dbraw/zinc/23/26/28/407232628.db2.gz QRWUDXMOEZXEOH-SOUVJXGZSA-N 0 3 307.394 1.388 40 0 DDABHN CN(C)CCN1C(=O)CCC12CCN(C(=O)CC1CC1)CC2 ZINC000096075400 407235162 /nfs/dbraw/zinc/23/51/62/407235162.db2.gz VJCFPRLGPUNERP-UHFFFAOYSA-N 0 3 307.438 1.332 40 0 DDABHN CN(C)C(=O)CN1CCC2(CC1)CCN(c1ncccn1)CC2 ZINC000096158466 407241151 /nfs/dbraw/zinc/24/11/51/407241151.db2.gz HNFTVAXTYXMNHS-UHFFFAOYSA-N 0 3 317.437 1.247 40 0 DDABHN COc1cccc(C(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 ZINC000096201956 407248646 /nfs/dbraw/zinc/24/86/46/407248646.db2.gz IJVKETUTSADRJJ-KRWDZBQOSA-N 0 3 304.390 1.490 40 0 DDABHN COCCO[C@H]1CCN([C@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200526 407248856 /nfs/dbraw/zinc/24/88/56/407248856.db2.gz ORLZHUNKLAPVMW-ULQDDVLXSA-N 0 3 306.406 1.519 40 0 DDABHN COC[C@H]1C(=O)NCC12CCN(Cc1scnc1C)CC2 ZINC000096207482 407250064 /nfs/dbraw/zinc/25/00/64/407250064.db2.gz APKNLLYDTXYQIM-LBPRGKRZSA-N 0 3 309.435 1.426 40 0 DDABHN CN1C[C@H]2C[C@@H](NC(=O)c3[nH]nc4ccccc43)C[C@@H](C1)N2C ZINC000100102461 407307109 /nfs/dbraw/zinc/30/71/09/407307109.db2.gz MHNNVDILNTUWNS-XYYAHUGASA-N 0 3 313.405 1.070 40 0 in-man DDABHN COCCN1CCC[C@H](c2cncc(-c3cnn(C)c3)n2)C1 ZINC000257226777 407504730 /nfs/dbraw/zinc/50/47/30/407504730.db2.gz FMCGDLSPQJSHRI-ZDUSSCGKSA-N 0 3 301.394 1.703 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC000257222828 407504944 /nfs/dbraw/zinc/50/49/44/407504944.db2.gz DUVBVDCADNLRSN-CYBMUJFWSA-N 0 3 313.405 1.738 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000257230181 407507316 /nfs/dbraw/zinc/50/73/16/407507316.db2.gz GBEUVVXRIHGQQZ-INIZCTEOSA-N 0 3 310.825 1.798 40 0 DDABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218523559 407521970 /nfs/dbraw/zinc/52/19/70/407521970.db2.gz LDZDZSWXYYZRHV-BRWVUGGUSA-N 0 3 316.426 1.591 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccnc1 ZINC000247945725 408517196 /nfs/dbraw/zinc/51/71/96/408517196.db2.gz BABJFZUNUDAGBC-KSZLIROESA-N 0 3 319.449 1.639 40 0 DDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(c1ncccn1)C2 ZINC000096039514 282108764 /nfs/dbraw/zinc/10/87/64/282108764.db2.gz LHSWCDZUSWIOBT-WBVHZDCISA-N 0 3 320.437 1.430 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324771 191122649 /nfs/dbraw/zinc/12/26/49/191122649.db2.gz COHAKBKQYHEPDX-CYZMBNFOSA-N 0 3 324.808 1.708 40 0 DDABHN NC(=O)CC[C@@]1(O)CCCN(CCCOc2ccccc2F)C1 ZINC000585276752 354820899 /nfs/dbraw/zinc/82/08/99/354820899.db2.gz DMZGGTRIKLHZDN-KRWDZBQOSA-N 0 3 324.396 1.687 40 0 DDABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCO[C@@](C)(C(N)=O)C2)CC1 ZINC000585284728 354824396 /nfs/dbraw/zinc/82/43/96/354824396.db2.gz VKSJXBICMQLHJM-XYPHTWIQSA-N 0 3 312.454 1.530 40 0 DDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2cc(F)ccc2F)C1 ZINC000257301938 203024508 /nfs/dbraw/zinc/02/45/08/203024508.db2.gz SAQXMKVITLDTOQ-CYBMUJFWSA-N 0 3 311.376 1.417 40 0 DDABHN Cc1cc2cc(C(=O)N3CC[C@](O)(CN(C)C)C3)ccc2o1 ZINC000257292477 203017732 /nfs/dbraw/zinc/01/77/32/203017732.db2.gz QLQZBBJNUWPJLT-KRWDZBQOSA-N 0 3 302.374 1.880 40 0 DDABHN COCCN1CC[C@@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 ZINC000257342396 203064417 /nfs/dbraw/zinc/06/44/17/203064417.db2.gz ZOJSEUWHRXBXMN-AWEZNQCLSA-N 0 3 315.421 1.994 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)COC ZINC000218463284 257130473 /nfs/dbraw/zinc/13/04/73/257130473.db2.gz HVXSZJKHIWFJJU-BFHYXJOUSA-N 0 3 317.838 1.832 40 0 DDABHN CCS(=O)(=O)C1(CNC(=O)OC(C)(C)C)CCNCC1 ZINC000217929378 257131694 /nfs/dbraw/zinc/13/16/94/257131694.db2.gz DHIGMQLYSQYCAZ-UHFFFAOYSA-N 0 3 306.428 1.068 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1Br ZINC000073742954 406893365 /nfs/dbraw/zinc/89/33/65/406893365.db2.gz ODUNZQVEDXJXMB-UHFFFAOYSA-N 0 3 314.183 1.065 40 0 DDABHN COc1cc2c(cc1OC)[C@H]1[C@H]3C(=C[C@H](OC)[C@H]1O)CCN3C2 ZINC000028537635 406918078 /nfs/dbraw/zinc/91/80/78/406918078.db2.gz VOIMPDXOQJYVDI-WNRNVDISSA-N 0 3 317.385 1.691 40 0 biogenic,in-vitro DDABHN CN(C)CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000078701452 407041893 /nfs/dbraw/zinc/04/18/93/407041893.db2.gz YRGDZBODSLPUKL-UHFFFAOYSA-N 0 3 314.183 1.065 40 0 DDABHN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(CC2CC2)C1 ZINC000096244449 407255116 /nfs/dbraw/zinc/25/51/16/407255116.db2.gz XECFKMGDGNFVBM-KRWDZBQOSA-N 0 3 302.422 1.735 40 0 DDABHN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1ccc[nH]1)C2 ZINC000096255853 407257330 /nfs/dbraw/zinc/25/73/30/407257330.db2.gz KATXEZPRZIGJFE-UHFFFAOYSA-N 0 3 301.394 1.777 40 0 DDABHN CCOCCN1C[C@H]2OCC[C@H]2[C@@H](C(=O)Nc2cccnc2)C1 ZINC000096065597 407232802 /nfs/dbraw/zinc/23/28/02/407232802.db2.gz WKRQZADHMQJCPI-HRCADAONSA-N 0 3 319.405 1.394 40 0 DDABHN Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]32)o1 ZINC000096066396 407233633 /nfs/dbraw/zinc/23/36/33/407233633.db2.gz MHPUCYZDLAZUKN-RBSFLKMASA-N 0 3 317.393 1.506 40 0 DDABHN CC(C)N1CCO[C@]2(CCC[C@H]2COCC(=O)N2CCCC2)C1 ZINC000096159965 407241730 /nfs/dbraw/zinc/24/17/30/407241730.db2.gz ILGXQRDQCHJCHP-FUHWJXTLSA-N 0 3 324.465 1.905 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccsc3)C[C@H]2C1 ZINC000096182288 407243425 /nfs/dbraw/zinc/24/34/25/407243425.db2.gz YZKOFWKAHGIPGR-OKILXGFUSA-N 0 3 314.414 1.742 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3cccs3)C[C@@H]21 ZINC000096185403 407244319 /nfs/dbraw/zinc/24/43/19/407244319.db2.gz LNENGSJFXCWUIR-AEGPPILISA-N 0 3 308.447 1.716 40 0 DDABHN COCCN1C(=O)C[C@H]2[C@H]1CCN2Cc1ccc(OC)cc1 ZINC000096183837 407244675 /nfs/dbraw/zinc/24/46/75/407244675.db2.gz ZUQLXIZWLHPRFF-CVEARBPZSA-N 0 3 304.390 1.517 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000096201958 407248822 /nfs/dbraw/zinc/24/88/22/407248822.db2.gz FZIGEQXMADMQJY-KRWDZBQOSA-N 0 3 306.381 1.549 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)c3cc(C)nc(C)c3)C[C@@H]2C1 ZINC000096205818 407249876 /nfs/dbraw/zinc/24/98/76/407249876.db2.gz AUVCUDWEWJRLMA-JKSUJKDBSA-N 0 3 303.406 1.491 40 0 DDABHN c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)ccn1 ZINC000108222891 407382912 /nfs/dbraw/zinc/38/29/12/407382912.db2.gz WJZCSFWLMAHCAB-HOTGVXAUSA-N 0 3 311.389 1.209 40 0 DDABHN Cc1ncc(CN2CCC3(CC(NS(C)(=O)=O)C3)CC2)cn1 ZINC000108527687 407387257 /nfs/dbraw/zinc/38/72/57/407387257.db2.gz WUZFTYJPSQIGHH-UHFFFAOYSA-N 0 3 324.450 1.079 40 0 DDABHN Cc1c(CN2CCN(C)C[C@@H](C(N)=O)C2)[nH]c2ccc(F)cc12 ZINC000257220613 407499182 /nfs/dbraw/zinc/49/91/82/407499182.db2.gz DLMFQSLCWBNUJG-GFCCVEGCSA-N 0 3 318.396 1.464 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2ccnc3ccccc23)CC[C@@H]1O ZINC000257241708 407512348 /nfs/dbraw/zinc/51/23/48/407512348.db2.gz HZGDQKQJSDXCLN-ROUUACIJSA-N 0 3 313.401 1.696 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000143214619 408183426 /nfs/dbraw/zinc/18/34/26/408183426.db2.gz IFULEBNOBLLOKS-GHMZBOCLSA-N 0 3 315.414 1.766 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409421 278377094 /nfs/dbraw/zinc/37/70/94/278377094.db2.gz XBCZCPFWDWBVTK-QWHCGFSZSA-N 0 3 311.426 1.772 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1N(C(=O)CN)C1CC1 ZINC000079391170 278442729 /nfs/dbraw/zinc/44/27/29/278442729.db2.gz HJYWOEQQOMDQGK-STQMWFEESA-N 0 3 311.426 1.772 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391402 280271692 /nfs/dbraw/zinc/27/16/92/280271692.db2.gz WHNQPDSOQMKUQU-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412760 185170260 /nfs/dbraw/zinc/17/02/60/185170260.db2.gz AXTAPLXZZHJEDP-ZFWWWQNUSA-N 0 3 319.405 1.451 40 0 DDABHN Cc1c(CN2Cc3ccnn3CC[C@H]2CN(C)C)cnn1C ZINC000585096956 354804763 /nfs/dbraw/zinc/80/47/63/354804763.db2.gz FZAVBLPMJWOLFJ-HNNXBMFYSA-N 0 3 302.426 1.261 40 0 DDABHN COc1cc(O)c2c(c1O)[C@@]1(C)C(=O)CCC[C@@]1(O)CC2=O ZINC000005460222 181246240 /nfs/dbraw/zinc/24/62/40/181246240.db2.gz DIAIAAXIAGNHSL-HZPDHXFCSA-N 0 3 306.314 1.435 40 0 DDABHN CN1CC[C@@H](c2nc(CNC(=O)CC3(O)CCCCC3)c[nH]2)C1 ZINC000257274510 203002699 /nfs/dbraw/zinc/00/26/99/203002699.db2.gz NLJDWAVKBDJUBD-CYBMUJFWSA-N 0 3 320.437 1.530 40 0 DDABHN Cc1ncc2cc(C3CCN(S(C)(=O)=O)CC3)nc(C)n12 ZINC000257277491 203006256 /nfs/dbraw/zinc/00/62/56/203006256.db2.gz NYDYUJKEJHLBGU-UHFFFAOYSA-N 0 3 308.407 1.485 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C1(CN)CN ZINC000218375222 257130499 /nfs/dbraw/zinc/13/04/99/257130499.db2.gz QQRFFSGSVLZIJO-RYUDHWBXSA-N 0 3 302.827 1.144 40 0 DDABHN COC(=O)[C@@H](C)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648545 406849917 /nfs/dbraw/zinc/84/99/17/406849917.db2.gz QDXPEJJDZLXRNQ-NWDGAFQWSA-N 0 3 300.399 1.785 40 0 DDABHN O=C(NC[C@@H]1CC[C@H]2[C@@H]1OCCN2CC1CC1)c1cnccn1 ZINC000096250326 407255435 /nfs/dbraw/zinc/25/54/35/407255435.db2.gz DBAWANKCMMSDPU-CWRNSKLLSA-N 0 3 316.405 1.096 40 0 DDABHN CC(C)N(C)[C@@H]1CN(C(=O)c2ccncn2)C[C@@H]2CCCO[C@H]12 ZINC000096040590 407225395 /nfs/dbraw/zinc/22/53/95/407225395.db2.gz NDGIQRZDJZLKOF-IMJJTQAJSA-N 0 3 318.421 1.436 40 0 DDABHN O=C(c1cscn1)N1CCC2(CN(CC3CCOCC3)C2)C1 ZINC000096046450 407227153 /nfs/dbraw/zinc/22/71/53/407227153.db2.gz NYVLJTYUGLOEOO-UHFFFAOYSA-N 0 3 321.446 1.718 40 0 DDABHN CC(C)N1CCOC[C@]2(CN(Cc3ccncc3)CCO2)C1 ZINC000096049737 407227906 /nfs/dbraw/zinc/22/79/06/407227906.db2.gz XVUAVBUQYJMHJS-KRWDZBQOSA-N 0 3 305.422 1.393 40 0 DDABHN CC(C)N1CCOC[C@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049723 407228583 /nfs/dbraw/zinc/22/85/83/407228583.db2.gz JIAKYBCCBCEFBJ-HNNXBMFYSA-N 0 3 311.451 1.455 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053967 407229458 /nfs/dbraw/zinc/22/94/58/407229458.db2.gz FNYIKVRSJSESHN-GASCZTMLSA-N 0 3 309.373 1.076 40 0 DDABHN Cn1cc(N2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccs2)cn1 ZINC000096100344 407237008 /nfs/dbraw/zinc/23/70/08/407237008.db2.gz XRFZUVMODMSCPM-KBPBESRZSA-N 0 3 302.403 1.861 40 0 DDABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096108396 407237973 /nfs/dbraw/zinc/23/79/73/407237973.db2.gz HTTVTNRLXJYGLU-PBHICJAKSA-N 0 3 322.380 1.037 40 0 DDABHN CN(C)CCn1c(=O)ccc2c1CCN(Cc1ccoc1)CC2 ZINC000096196643 407246627 /nfs/dbraw/zinc/24/66/27/407246627.db2.gz NTGGRKKTVHACJH-UHFFFAOYSA-N 0 3 315.417 1.604 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096201950 407248255 /nfs/dbraw/zinc/24/82/55/407248255.db2.gz SRMVPEDWLYGBLQ-SFHVURJKSA-N 0 3 313.401 1.962 40 0 DDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096208619 407250490 /nfs/dbraw/zinc/25/04/90/407250490.db2.gz AXJNUJZNUOGIAN-HNNXBMFYSA-N 0 3 306.381 1.800 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccon3)CCO2)c1 ZINC000257210665 407498236 /nfs/dbraw/zinc/49/82/36/407498236.db2.gz BVQGAEIZLCBVKF-AWEZNQCLSA-N 0 3 302.334 1.633 40 0 DDABHN CO[C@H]1CN(Cc2ccc(OCCO)cc2)C[C@@]12CCCO2 ZINC000257217703 407499394 /nfs/dbraw/zinc/49/93/94/407499394.db2.gz DAFVGXQWJUNONM-IRXDYDNUSA-N 0 3 307.390 1.438 40 0 DDABHN c1ccc(OC[C@H]2C[C@H]3OCCN(C[C@H]4CCOC4)[C@@H]3C2)nc1 ZINC000253596841 407461612 /nfs/dbraw/zinc/46/16/12/407461612.db2.gz WJPYGEFZEDYKRP-QBPKDAKJSA-N 0 3 318.417 1.976 40 0 DDABHN O=S(=O)(C1CCCCC1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257248677 407517014 /nfs/dbraw/zinc/51/70/14/407517014.db2.gz JESUSJJBFUBNJH-OAHLLOKOSA-N 0 3 316.467 1.182 40 0 DDABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 ZINC000218494986 407518725 /nfs/dbraw/zinc/51/87/25/407518725.db2.gz DPYHRDDCUSZRRL-XHSDSOJGSA-N 0 3 311.447 1.741 40 0 DDABHN CC(C)[C@H](N)C(=O)N(Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000079418850 185170908 /nfs/dbraw/zinc/17/09/08/185170908.db2.gz XIBJLVNCRFKUAW-INIZCTEOSA-N 0 3 304.390 1.932 40 0 DDABHN NCC(=O)N1CCC(c2cncc(Oc3cccnc3)n2)CC1 ZINC000072384457 191144263 /nfs/dbraw/zinc/14/42/63/191144263.db2.gz SNUOOKGDSUQTCV-UHFFFAOYSA-N 0 3 313.361 1.329 40 0 DDABHN CC(C)C(=O)NCCn1nc([C@@H]2CCN(C)C2)c2nccnc21 ZINC000072391622 191147276 /nfs/dbraw/zinc/14/72/76/191147276.db2.gz KYFIAIVIJFPVBG-GFCCVEGCSA-N 0 3 316.409 1.018 40 0 DDABHN OCc1ccc(CN2CC3(C2)C[C@@H](CO)CN3CC2CC2)cc1 ZINC000585093810 354803089 /nfs/dbraw/zinc/80/30/89/354803089.db2.gz GYKJSKRJQPOFES-GOSISDBHSA-N 0 3 316.445 1.458 40 0 DDABHN COCCN1CCC(Cc2cncc(-c3cc[nH]n3)n2)CC1 ZINC000257308684 203033881 /nfs/dbraw/zinc/03/38/81/203033881.db2.gz TXRYBSXRWDFLQE-UHFFFAOYSA-N 0 3 301.394 1.768 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NC[C@H]2CCCO2)c1 ZINC000257279425 203008381 /nfs/dbraw/zinc/00/83/81/203008381.db2.gz OGNQHGKBINWLGW-CYBMUJFWSA-N 0 3 300.362 1.240 40 0 DDABHN Cc1nccc(CN2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)n1 ZINC000257341076 203063321 /nfs/dbraw/zinc/06/33/21/203063321.db2.gz ZITFHAGNSNPNRL-HYVNUMGLSA-N 0 3 324.432 1.922 40 0 DDABHN COCc1cc(=O)[nH]c([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019594325 182133196 /nfs/dbraw/zinc/13/31/96/182133196.db2.gz LLMCREYUOLGNJU-AWEZNQCLSA-N 0 3 314.389 1.691 40 0 DDABHN CCN(C(=O)CCNc1nc(C)cc(C)n1)C1CCN(C)CC1 ZINC000019656436 182134093 /nfs/dbraw/zinc/13/40/93/182134093.db2.gz LLANPPQSLRZUMZ-UHFFFAOYSA-N 0 3 319.453 1.838 40 0 DDABHN CN1CCC[C@@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000063527678 184284907 /nfs/dbraw/zinc/28/49/07/184284907.db2.gz LAZJAYBFUMMEIS-CYBMUJFWSA-N 0 3 300.449 1.855 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccc(C)cc1 ZINC000242390274 257120759 /nfs/dbraw/zinc/12/07/59/257120759.db2.gz AHYIIUOXWGVNDO-BZUAXINKSA-N 0 3 311.447 1.877 40 0 DDABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCN(C=O)CC1 ZINC000072222647 257123280 /nfs/dbraw/zinc/12/32/80/257123280.db2.gz DSTCREOKIDQWIA-QGZVFWFLSA-N 0 3 310.401 1.717 40 0 DDABHN NC[C@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036009 257131533 /nfs/dbraw/zinc/13/15/33/257131533.db2.gz IFEBLMVDUZKFJD-IKGGRYGDSA-N 0 3 317.410 1.564 40 0 DDABHN OCCN[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1 ZINC000001593687 406670894 /nfs/dbraw/zinc/67/08/94/406670894.db2.gz CPENJQYCUCOIAE-SJORKVTESA-N 0 3 301.342 1.772 40 0 DDABHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1N(C(=O)CN)C1CC1 ZINC000079391166 407053816 /nfs/dbraw/zinc/05/38/16/407053816.db2.gz HJYWOEQQOMDQGK-OLZOCXBDSA-N 0 3 311.426 1.772 40 0 DDABHN CCCN1CC[C@@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 ZINC000096225967 407253171 /nfs/dbraw/zinc/25/31/71/407253171.db2.gz ZUHDDTFVLPGGRD-MRXNPFEDSA-N 0 3 317.393 1.032 40 0 DDABHN CC(C)CN1CCNC(=O)C12CCN(Cc1ccccn1)CC2 ZINC000096230174 407253633 /nfs/dbraw/zinc/25/36/33/407253633.db2.gz BMKFLVMSPDGMFO-UHFFFAOYSA-N 0 3 316.449 1.504 40 0 DDABHN CN1CCO[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@@H]2C1 ZINC000096249553 407255534 /nfs/dbraw/zinc/25/55/34/407255534.db2.gz FACOJSPBZILNNQ-UKRRQHHQSA-N 0 3 310.419 1.028 40 0 DDABHN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccncc1)C2 ZINC000096038683 407224410 /nfs/dbraw/zinc/22/44/10/407224410.db2.gz FOXBTRWDGZTCRT-SJLPKXTDSA-N 0 3 315.417 1.589 40 0 DDABHN Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)o1 ZINC000096052281 407228179 /nfs/dbraw/zinc/22/81/79/407228179.db2.gz KTIYUUNGQLRBBI-SJORKVTESA-N 0 3 308.422 1.900 40 0 DDABHN Cn1cc(CN2CC[C@@H]3CN(Cc4ccco4)C[C@@H]3C2)cn1 ZINC000096054163 407229430 /nfs/dbraw/zinc/22/94/30/407229430.db2.gz FZFYAONGFWKYOG-CVEARBPZSA-N 0 3 300.406 1.967 40 0 DDABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053824 407229809 /nfs/dbraw/zinc/22/98/09/407229809.db2.gz JGZZJVKQDZAHLL-HUUCEWRRSA-N 0 3 308.385 1.681 40 0 DDABHN COc1ccc(CN2C[C@@H](C(=O)N(C)C)C[C@H]3OCC[C@H]32)cc1 ZINC000096057598 407230441 /nfs/dbraw/zinc/23/04/41/407230441.db2.gz JIHMZVDNIVGDHQ-USXIJHARSA-N 0 3 318.417 1.763 40 0 DDABHN c1ccc(N2CCOC3(CCN([C@H]4CCOC4)CC3)C2)nc1 ZINC000096063131 407233326 /nfs/dbraw/zinc/23/33/26/407233326.db2.gz PFYYBVIYEFHOSZ-HNNXBMFYSA-N 0 3 303.406 1.542 40 0 DDABHN c1ccc(CO[C@@H]2C[C@H]3CN(Cc4ccccn4)CCN3C2)nc1 ZINC000096183468 407243122 /nfs/dbraw/zinc/24/31/22/407243122.db2.gz MPYSMCFPGNIXIJ-RBUKOAKNSA-N 0 3 324.428 1.952 40 0 DDABHN C[C@]12C[C@@H](c3ccccc3F)N(CCO)[C@H]1CCCC(=O)N2 ZINC000257264848 407527205 /nfs/dbraw/zinc/52/72/05/407527205.db2.gz LWGCIADHGYGLBM-ZOBUZTSGSA-N 0 3 306.381 1.992 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000257266638 407527730 /nfs/dbraw/zinc/52/77/30/407527730.db2.gz MDVLSYYAPYTYBL-AWEZNQCLSA-N 0 3 316.323 1.844 40 0 DDABHN Cc1noc(C)c1-c1cc([C@H]2CCCN2C(=O)CN)nc(C)n1 ZINC000257281429 407530474 /nfs/dbraw/zinc/53/04/74/407530474.db2.gz OPDSWEONOMDULK-CQSZACIVSA-N 0 3 315.377 1.679 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@H](C)c1ccccc1 ZINC000408708123 418810927 /nfs/dbraw/zinc/81/09/27/418810927.db2.gz UWKSDJYJVSRGLL-HOCLYGCPSA-N 0 3 317.433 1.507 40 0 DDABHN CCN(C[C@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411039 185169980 /nfs/dbraw/zinc/16/99/80/185169980.db2.gz KLOBPMMLGDSXKQ-INIZCTEOSA-N 0 3 306.406 1.959 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OCc1ccccc1 ZINC000079412742 185170294 /nfs/dbraw/zinc/17/02/94/185170294.db2.gz KONBXNRWYUKTKY-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN O=C(c1cccc(F)c1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093756 354803186 /nfs/dbraw/zinc/80/31/86/354803186.db2.gz CPPCGAGAZNGLAW-AWEZNQCLSA-N 0 3 318.392 1.745 40 0 DDABHN Cc1cc2cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)ccc2o1 ZINC000257292478 203016893 /nfs/dbraw/zinc/01/68/93/203016893.db2.gz QLQZBBJNUWPJLT-QGZVFWFLSA-N 0 3 302.374 1.880 40 0 DDABHN Cc1noc(C)c1-c1cccc(C[C@H]2CCN(C(=O)CN)C2)n1 ZINC000257334324 203056765 /nfs/dbraw/zinc/05/67/65/203056765.db2.gz YFKNNJGUNTZSMI-CYBMUJFWSA-N 0 3 314.389 1.703 40 0 DDABHN CNc1cncc([C@@H]2CCCN2C(=O)C2(C)CCN(C)CC2)n1 ZINC000257315995 203041033 /nfs/dbraw/zinc/04/10/33/203041033.db2.gz VDRBMAJEKGZARR-AWEZNQCLSA-N 0 3 317.437 1.914 40 0 DDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cccn3C)CCO2)n1 ZINC000257317662 203041654 /nfs/dbraw/zinc/04/16/54/203041654.db2.gz VKRAPOHDKARCAE-HNNXBMFYSA-N 0 3 300.362 1.524 40 0 DDABHN COCCN1CC[C@H](Cc2cnc(-c3cc(C)[nH]n3)cn2)C1 ZINC000257327461 203050846 /nfs/dbraw/zinc/05/08/46/203050846.db2.gz XBLBELUBEAHZPO-CYBMUJFWSA-N 0 3 301.394 1.686 40 0 DDABHN CN(C)CCN(C)C(=O)Cc1csc(-c2ccncc2)n1 ZINC000019582421 182132224 /nfs/dbraw/zinc/13/22/24/182132224.db2.gz WYNKOXPPRRPZQY-UHFFFAOYSA-N 0 3 304.419 1.768 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)COC ZINC000218463126 257130606 /nfs/dbraw/zinc/13/06/06/257130606.db2.gz HVXSZJKHIWFJJU-MGPQQGTHSA-N 0 3 317.838 1.832 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc(O)cc3)C[C@H]2C1 ZINC000096245550 407256336 /nfs/dbraw/zinc/25/63/36/407256336.db2.gz GVNIZJWLNKNPGT-CALCHBBNSA-N 0 3 323.396 1.991 40 0 DDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000096038635 407224894 /nfs/dbraw/zinc/22/48/94/407224894.db2.gz LQMCHGFKEMXPCO-BZUAXINKSA-N 0 3 320.389 1.528 40 0 DDABHN COCCNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2)O1 ZINC000096040878 407225470 /nfs/dbraw/zinc/22/54/70/407225470.db2.gz IVOQKLZXHAZFQB-ZACQAIPSSA-N 0 3 318.417 1.571 40 0 DDABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3cccnc3)CC[C@H]12)C1CC1 ZINC000096057591 407230493 /nfs/dbraw/zinc/23/04/93/407230493.db2.gz APZLSILKAGWWTK-ULQDDVLXSA-N 0 3 315.417 1.445 40 0 DDABHN CCN1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096100228 407236732 /nfs/dbraw/zinc/23/67/32/407236732.db2.gz CQWZFLOGTWPQDX-QGZVFWFLSA-N 0 3 318.421 1.115 40 0 DDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000096108284 407238040 /nfs/dbraw/zinc/23/80/40/407238040.db2.gz RHQJZHBMVNQKKW-ZBFHGGJFSA-N 0 3 323.462 1.232 40 0 DDABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2N1C(C)C ZINC000096182625 407243267 /nfs/dbraw/zinc/24/32/67/407243267.db2.gz CDMDXGCEVFAPFC-KFWWJZLASA-N 0 3 307.463 1.777 40 0 DDABHN Cn1ccnc1CN1C[C@@H](c2ccccc2)[C@@]2(CCN(C)C2=O)C1 ZINC000096201842 407248310 /nfs/dbraw/zinc/24/83/10/407248310.db2.gz IWCQLCJHYZLMOI-QFBILLFUSA-N 0 3 324.428 1.868 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccccn2)c1 ZINC000257211836 407497553 /nfs/dbraw/zinc/49/75/53/407497553.db2.gz CAQLRGHGMUZTLW-KRWDZBQOSA-N 0 3 310.401 1.588 40 0 DDABHN CC(=O)N1CCN(C2CCN(C)CC2)C[C@@H]1c1ccccc1 ZINC000257234741 407510624 /nfs/dbraw/zinc/51/06/24/407510624.db2.gz GUXFEVCBWQCVNG-GOSISDBHSA-N 0 3 301.434 1.986 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218558672 407521513 /nfs/dbraw/zinc/52/15/13/407521513.db2.gz FOCCYJDNKLSTBP-SOUVJXGZSA-N 0 3 315.410 1.708 40 0 DDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218048138 484146835 /nfs/dbraw/zinc/14/68/35/484146835.db2.gz FSMVVSJHQLJGST-IKGGRYGDSA-N 0 3 316.426 1.591 40 0 DDABHN CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Cc1cccs1 ZINC000096183818 282098299 /nfs/dbraw/zinc/09/82/99/282098299.db2.gz SCKOVHCLKUUZTK-UONOGXRCSA-N 0 3 321.446 1.054 40 0 DDABHN CN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392842 185168620 /nfs/dbraw/zinc/16/86/20/185168620.db2.gz XJLXCVZSFIVJMR-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN CN1CCC[C@@H](c2cccc(C(=O)N3CCCOCC3)n2)C1 ZINC000072365729 191136055 /nfs/dbraw/zinc/13/60/55/191136055.db2.gz DEFAFDHLWUGELD-CQSZACIVSA-N 0 3 303.406 1.753 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1 ZINC000072385337 191144258 /nfs/dbraw/zinc/14/42/58/191144258.db2.gz ZCWYXCDBBSLRGV-LBPRGKRZSA-N 0 3 312.439 1.052 40 0 DDABHN O=C(C1CC(F)(F)C1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093722 354802998 /nfs/dbraw/zinc/80/29/98/354802998.db2.gz AMIODWZBFAAUEL-GFCCVEGCSA-N 0 3 314.376 1.337 40 0 DDABHN Cc1cccc(C[C@@]2(CO)CN(C3CCOCC3)CCO2)c1 ZINC000585275500 354819596 /nfs/dbraw/zinc/81/95/96/354819596.db2.gz FJCVNAIHXCLHRZ-SFHVURJKSA-N 0 3 305.418 1.780 40 0 DDABHN CNc1cc(C)nc([C@@H]2COCCN2Cc2cn[nH]c2C)n1 ZINC000257301383 203026601 /nfs/dbraw/zinc/02/66/01/203026601.db2.gz RYGWFKGQHDKLHO-ZDUSSCGKSA-N 0 3 302.382 1.432 40 0 DDABHN Cc1ccc2c(CC(=O)N3CC[C@@](O)(CN(C)C)C3)coc2c1 ZINC000257307885 203032001 /nfs/dbraw/zinc/03/20/01/203032001.db2.gz TUNBNGWSJFTSGU-GOSISDBHSA-N 0 3 316.401 1.809 40 0 DDABHN Cc1ccccc1S(=O)(=O)N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O ZINC000257316974 203040208 /nfs/dbraw/zinc/04/02/08/203040208.db2.gz VHTUXXFDQHHBNV-IIAWOOMASA-N 0 3 324.446 1.261 40 0 DDABHN CCC(CC)C(=O)N1CC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500099 182125858 /nfs/dbraw/zinc/12/58/58/182125858.db2.gz ZEWOWDGIFXQRJY-CYBMUJFWSA-N 0 3 302.422 1.874 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)CO ZINC000218414929 257130678 /nfs/dbraw/zinc/13/06/78/257130678.db2.gz ZVOWQZRRRJGKPV-JHJVBQTASA-N 0 3 303.811 1.178 40 0 DDABHN CN1CCC[C@@H](NC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012195208 406838725 /nfs/dbraw/zinc/83/87/25/406838725.db2.gz LVYSOSRQPZVRJQ-LLVKDONJSA-N 0 3 323.780 1.458 40 0 DDABHN CN(C)C(=O)NC[C@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000096238295 407254914 /nfs/dbraw/zinc/25/49/14/407254914.db2.gz XDIIQJJSUBRDAL-OAHLLOKOSA-N 0 3 302.422 1.955 40 0 DDABHN c1cc(CN2CCO[C@@H]3CN([C@@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000096249720 407256066 /nfs/dbraw/zinc/25/60/66/407256066.db2.gz SQFTZERPTGBNTH-KZNAEPCWSA-N 0 3 317.433 1.393 40 0 DDABHN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)c1cccn1C)C2 ZINC000096255851 407257401 /nfs/dbraw/zinc/25/74/01/407257401.db2.gz IAUYBEKAPKGIEJ-UHFFFAOYSA-N 0 3 315.421 1.787 40 0 DDABHN CC(C)N1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1 ZINC000096049724 407228452 /nfs/dbraw/zinc/22/84/52/407228452.db2.gz JIAKYBCCBCEFBJ-OAHLLOKOSA-N 0 3 311.451 1.455 40 0 DDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccncc3)C2)O1 ZINC000096052297 407228528 /nfs/dbraw/zinc/22/85/28/407228528.db2.gz ICJZIWPIGQDQOU-DLBZAZTESA-N 0 3 305.422 1.393 40 0 DDABHN O=C1[C@H]2CN(Cc3ccncc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054640 407229083 /nfs/dbraw/zinc/22/90/83/407229083.db2.gz WKRKTJUEIBLVPN-ROUUACIJSA-N 0 3 322.412 1.957 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000096053946 407229343 /nfs/dbraw/zinc/22/93/43/407229343.db2.gz UKHYLPQLZJPAGN-OKILXGFUSA-N 0 3 314.414 1.742 40 0 DDABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccoc3)CC[C@H]12)C1CC1 ZINC000096057586 407231097 /nfs/dbraw/zinc/23/10/97/407231097.db2.gz NEMZYYHUOMGSAH-JYJNAYRXSA-N 0 3 304.390 1.643 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000096182316 407243582 /nfs/dbraw/zinc/24/35/82/407243582.db2.gz AIVSRHATTSFUDZ-GASCZTMLSA-N 0 3 309.373 1.076 40 0 DDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCCO1 ZINC000097953540 407303993 /nfs/dbraw/zinc/30/39/93/407303993.db2.gz LQMCHGFKEMXPCO-OAGGEKHMSA-N 0 3 320.389 1.528 40 0 DDABHN CCN(Cc1cccnc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257235164 407509195 /nfs/dbraw/zinc/50/91/95/407509195.db2.gz GWSHINGKKWXNIK-INIZCTEOSA-N 0 3 314.393 1.252 40 0 DDABHN Cc1nc2cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)ccc2[nH]1 ZINC000257235171 407509973 /nfs/dbraw/zinc/50/99/73/407509973.db2.gz GWTGRZOZDYSRIJ-MRXNPFEDSA-N 0 3 302.378 1.010 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000248177687 408542374 /nfs/dbraw/zinc/54/23/74/408542374.db2.gz WPTSUELBQZMRJY-WBVHZDCISA-N 0 3 310.438 1.515 40 0 DDABHN C[C@]1(NCCNCc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420043 422295514 /nfs/dbraw/zinc/29/55/14/422295514.db2.gz DSLWENMGZVOKJQ-AWEZNQCLSA-N 0 3 316.854 1.596 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409896 298945409 /nfs/dbraw/zinc/94/54/09/298945409.db2.gz IYJLJQXADNBWRC-AAEUAGOBSA-N 0 3 311.426 1.724 40 0 DDABHN O=C1c2ccccc2C(=O)N1CCc1noc([C@H]2CCCN2)n1 ZINC000409440914 568413376 /nfs/dbraw/zinc/41/33/76/568413376.db2.gz MUNDIUFJBNHWSZ-GFCCVEGCSA-N 0 3 312.329 1.333 40 0 DDABHN CC(C)[C@H](N)C(=O)N(Cc1cccc2c1OCCO2)C1CC1 ZINC000079421486 185170973 /nfs/dbraw/zinc/17/09/73/185170973.db2.gz JBQAVISKRGMWFG-HNNXBMFYSA-N 0 3 304.390 1.932 40 0 DDABHN CCN(C(=O)CN)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392884 185168412 /nfs/dbraw/zinc/16/84/12/185168412.db2.gz ZYOSTONHJZEJPE-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)N2CCOCC2)[C@H]1Cc1ccccc1 ZINC000096087477 282196884 /nfs/dbraw/zinc/19/68/84/282196884.db2.gz RQGRQXNBRAKVEG-SJORKVTESA-N 0 3 317.433 1.686 40 0 DDABHN Cn1cnc2c1C[C@H](CN1CCCC1)N(C(=O)c1cocn1)C2 ZINC000585094951 354803641 /nfs/dbraw/zinc/80/36/41/354803641.db2.gz WKEMTAMZJLSORM-GFCCVEGCSA-N 0 3 315.377 1.071 40 0 DDABHN COc1ccc2cc(CNC[C@@H]3COC[C@@H](O)[C@H]3O)ccc2c1 ZINC000585285397 354824237 /nfs/dbraw/zinc/82/42/37/354824237.db2.gz BTQJIDHKMIYQFO-NXHRZFHOSA-N 0 3 317.385 1.306 40 0 DDABHN CCNC(=O)[C@H](C(=O)OCCN(CC)CC)c1ccccc1 ZINC000006385274 181336469 /nfs/dbraw/zinc/33/64/69/181336469.db2.gz FOPKLMKFBMQOPG-OAHLLOKOSA-N 0 3 306.406 1.791 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000257328378 203051903 /nfs/dbraw/zinc/05/19/03/203051903.db2.gz XFJIFOXRCMNOBW-OAHLLOKOSA-N 0 3 314.788 1.547 40 0 DDABHN Cc1ncc(-c2nccnc2C[C@H]2CCCN(CCO)C2)n1C ZINC000257338376 203060549 /nfs/dbraw/zinc/06/05/49/203060549.db2.gz YXCCOPCCVJKIOF-CQSZACIVSA-N 0 3 315.421 1.432 40 0 DDABHN CNCC(=O)N1CCC2(CO[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257341001 203063414 /nfs/dbraw/zinc/06/34/14/203063414.db2.gz ZIKPBKNLOYFHBW-MRXNPFEDSA-N 0 3 320.408 1.985 40 0 DDABHN CC(C)CN1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C1 ZINC000514289145 257216054 /nfs/dbraw/zinc/21/60/54/257216054.db2.gz IQHCJGKEPUWVJS-DLBZAZTESA-N 0 3 307.482 1.390 40 0 biogenic,in-vitro DDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O ZINC000514288517 257216640 /nfs/dbraw/zinc/21/66/40/257216640.db2.gz HBJBMGQBMULULU-HRCADAONSA-N 0 3 306.406 1.277 40 0 biogenic,in-vitro DDABHN Cc1cc(S(=O)(=O)NCCCN2CCCC2)ccc1F ZINC000170939461 407561134 /nfs/dbraw/zinc/56/11/34/407561134.db2.gz STEQTHAHMOYOCX-UHFFFAOYSA-N 0 3 300.399 1.898 40 0 DDABHN CS(=O)(=O)N1CCc2cc([C@H](O)CN3CCCC3)ccc21 ZINC000012146842 406836761 /nfs/dbraw/zinc/83/67/61/406836761.db2.gz JIVFXBISQMVEIL-OAHLLOKOSA-N 0 3 310.419 1.138 40 0 DDABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCO)cc12 ZINC000012291652 406840649 /nfs/dbraw/zinc/84/06/49/406840649.db2.gz ZXBBXQUUMFQUFM-UHFFFAOYSA-N 0 3 316.336 1.243 40 0 DDABHN Cc1cccc(CN2C[C@@H]3C(=O)N(c4cnn(C)c4)C[C@@H]3C2)n1 ZINC000096245245 407254662 /nfs/dbraw/zinc/25/46/62/407254662.db2.gz UUQOIKJCHIHZED-BBRMVZONSA-N 0 3 311.389 1.218 40 0 DDABHN c1csc(N2CCOCC3(CCN([C@@H]4CCOC4)CC3)C2)n1 ZINC000096240020 407254739 /nfs/dbraw/zinc/25/47/39/407254739.db2.gz WLMDXXCSSBWCOR-CQSZACIVSA-N 0 3 323.462 1.851 40 0 DDABHN c1cc(CN2CCOC[C@@]3(CN(CC4CC4)CCO3)C2)ccn1 ZINC000096049848 407227969 /nfs/dbraw/zinc/22/79/69/407227969.db2.gz ALZZVLLMZLVYTJ-SFHVURJKSA-N 0 3 317.433 1.395 40 0 DDABHN O=C(c1ccccn1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053763 407228870 /nfs/dbraw/zinc/22/88/70/407228870.db2.gz OCYZIEMGYVPKPD-HOTGVXAUSA-N 0 3 308.385 1.681 40 0 DDABHN COCC(=O)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158505 407241138 /nfs/dbraw/zinc/24/11/38/407241138.db2.gz FETKDCGJQSAISU-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3CCc2ccccc2)cn1 ZINC000096184556 407244281 /nfs/dbraw/zinc/24/42/81/407244281.db2.gz NXNMNJFHKPUPNJ-MSOLQXFVSA-N 0 3 324.428 1.952 40 0 DDABHN COCCO[C@H]1CCN([C@@H]2CCOC2)[C@H]1Cc1cccnc1 ZINC000096200525 407248373 /nfs/dbraw/zinc/24/83/73/407248373.db2.gz ORLZHUNKLAPVMW-IKGGRYGDSA-N 0 3 306.406 1.519 40 0 DDABHN COc1ccccc1CN1C[C@@H]2COC[C@]2(c2nnc(C)o2)C1 ZINC000096209372 407250538 /nfs/dbraw/zinc/25/05/38/407250538.db2.gz IUJZOVFRBXDGPQ-RHSMWYFYSA-N 0 3 315.373 1.787 40 0 DDABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN(CCO)CCO ZINC000002694467 286814385 /nfs/dbraw/zinc/81/43/85/286814385.db2.gz BWBYPUBKWIJSCS-HUUCEWRRSA-N 0 3 311.422 1.226 40 0 DDABHN O=C(N[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC000107204504 407371046 /nfs/dbraw/zinc/37/10/46/407371046.db2.gz HCDRUBXPKNYYBB-MRVWCRGKSA-N 0 3 307.419 1.515 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@]1(CN)COC ZINC000218537685 407522774 /nfs/dbraw/zinc/52/27/74/407522774.db2.gz CDXPMXLRYGCAKL-HZSPNIEDSA-N 0 3 301.383 1.318 40 0 DDABHN COc1ccc2[nH]cc(C(=O)N3CC[C@@](O)(CN(C)C)C3)c2c1 ZINC000257305053 407534970 /nfs/dbraw/zinc/53/49/70/407534970.db2.gz SOFNXHBLNQEVFL-QGZVFWFLSA-N 0 3 317.389 1.315 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000248177686 408542515 /nfs/dbraw/zinc/54/25/15/408542515.db2.gz WPTSUELBQZMRJY-NVXWUHKLSA-N 0 3 310.438 1.515 40 0 DDABHN CCN(CC)[C@@H]1CN(C(=O)Cc2ccccn2)[C@@H]2CCCO[C@H]12 ZINC000096185781 276114973 /nfs/dbraw/zinc/11/49/73/276114973.db2.gz HBRMVUJKLAVNLO-NUJGCVRESA-N 0 3 317.433 1.724 40 0 DDABHN CC(=O)NCc1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072355768 278125202 /nfs/dbraw/zinc/12/52/02/278125202.db2.gz UPAYYXVMHUIOOI-INIZCTEOSA-N 0 3 304.394 1.429 40 0 DDABHN CC(C)[C@H](C(=N)NO)N1CC(N(C)C(=O)OC(C)(C)C)C1 ZINC000409442373 545662541 /nfs/dbraw/zinc/66/25/41/545662541.db2.gz VCKNHAPTWWYZDY-LLVKDONJSA-N 0 3 300.403 1.518 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000079418829 185170651 /nfs/dbraw/zinc/17/06/51/185170651.db2.gz IBKIALJVWBGMDF-CJNGLKHVSA-N 0 3 304.390 1.801 40 0 DDABHN C[C@H](N)C(=O)NC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393032 185168294 /nfs/dbraw/zinc/16/82/94/185168294.db2.gz PHVDSIAXJWALSA-JSGCOSHPSA-N 0 3 305.378 1.109 40 0 DDABHN CN(C)CCN1CC[C@@H]2[C@H]1CCN2C(=O)Cc1cccs1 ZINC000306138766 231090544 /nfs/dbraw/zinc/09/05/44/231090544.db2.gz SGQUIUBWPUKNSW-HUUCEWRRSA-N 0 3 307.463 1.527 40 0 DDABHN NCC(=O)N1CCC[C@@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360870 191131618 /nfs/dbraw/zinc/13/16/18/191131618.db2.gz UGZYKFDXFSPFRG-GFCCVEGCSA-N 0 3 312.377 1.280 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CCN(S(=O)(=O)C(C)C)C2)n1 ZINC000072385953 191145059 /nfs/dbraw/zinc/14/50/59/191145059.db2.gz UAAZXFDUGDPJBT-ZDUSSCGKSA-N 0 3 311.451 1.984 40 0 DDABHN Cc1cccnc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585292541 354825990 /nfs/dbraw/zinc/82/59/90/354825990.db2.gz KJBXWCDGWSIWAH-KBAYOESNSA-N 0 3 316.376 1.850 40 0 DDABHN CCc1cc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)no1 ZINC000257298420 203022169 /nfs/dbraw/zinc/02/21/69/203022169.db2.gz RLNARPVOHKQAKA-OAHLLOKOSA-N 0 3 316.361 1.736 40 0 DDABHN COc1ccccc1[C@@H]1CNCCN1CC(=O)N1CCCC1 ZINC000257300112 203025217 /nfs/dbraw/zinc/02/52/17/203025217.db2.gz RSYHLMTVVCDXRY-HNNXBMFYSA-N 0 3 303.406 1.264 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccon3)CCO2)n1 ZINC000257305506 203029158 /nfs/dbraw/zinc/02/91/58/203029158.db2.gz SQIBJGZMPSRJQO-OAHLLOKOSA-N 0 3 316.361 1.658 40 0 DDABHN Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000020489716 182223932 /nfs/dbraw/zinc/22/39/32/182223932.db2.gz MMAGKLNXUDODBP-INIZCTEOSA-N 0 3 319.449 1.516 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1cccc(F)c1 ZINC000252514461 257106248 /nfs/dbraw/zinc/10/62/48/257106248.db2.gz CNDNXYYGASASDE-RBSFLKMASA-N 0 3 315.410 1.708 40 0 DDABHN CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000008085967 406777905 /nfs/dbraw/zinc/77/79/05/406777905.db2.gz ONQWTEFFJCBCAS-HNNXBMFYSA-N 0 3 303.406 1.788 40 0 DDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324821 406881324 /nfs/dbraw/zinc/88/13/24/406881324.db2.gz COHAKBKQYHEPDX-KGYLQXTDSA-N 0 3 324.808 1.708 40 0 DDABHN CS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096220122 407252578 /nfs/dbraw/zinc/25/25/78/407252578.db2.gz IEQVLKGVZWGWKM-HZPDHXFCSA-N 0 3 324.446 1.359 40 0 DDABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096249272 407255830 /nfs/dbraw/zinc/25/58/30/407255830.db2.gz KXIXCDJGBOTPFK-JKSUJKDBSA-N 0 3 321.421 1.147 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@@H]21 ZINC000096043463 407226119 /nfs/dbraw/zinc/22/61/19/407226119.db2.gz GFZUVEBDHOYXOP-BZUAXINKSA-N 0 3 303.406 1.363 40 0 DDABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096048707 407227413 /nfs/dbraw/zinc/22/74/13/407227413.db2.gz HKXZMQVZWSUZHU-GOSISDBHSA-N 0 3 323.400 1.891 40 0 DDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccsc3)C2)O1 ZINC000096063305 407232507 /nfs/dbraw/zinc/23/25/07/407232507.db2.gz PUCMUFFVLAMGML-GDBMZVCRSA-N 0 3 324.446 1.700 40 0 DDABHN Cn1cc(CN2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cn1 ZINC000096159505 407241096 /nfs/dbraw/zinc/24/10/96/407241096.db2.gz XHQFTZDVVXFBQN-QGZVFWFLSA-N 0 3 311.389 1.444 40 0 DDABHN O=C([C@@H]1CCOC1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161717 407242266 /nfs/dbraw/zinc/24/22/66/407242266.db2.gz IFFCQRWDOMWIBZ-OAGGEKHMSA-N 0 3 318.392 1.752 40 0 DDABHN CN1CC[C@]2(C1)COCCN(C(=O)Cc1ccc(F)cc1)C2 ZINC000096201957 407248196 /nfs/dbraw/zinc/24/81/96/407248196.db2.gz FZIGEQXMADMQJY-QGZVFWFLSA-N 0 3 306.381 1.549 40 0 DDABHN Cc1nnc(N2C[C@@H]3COC[C@]3(CN3CCCCC3)C2)s1 ZINC000096209917 407250531 /nfs/dbraw/zinc/25/05/31/407250531.db2.gz FWBUQDQPEYRQIM-HIFRSBDPSA-N 0 3 308.451 1.785 40 0 DDABHN O=C(NC1CC1)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000097953639 407303897 /nfs/dbraw/zinc/30/38/97/407303897.db2.gz SPRWTBCDOOIMEC-SOUVJXGZSA-N 0 3 306.431 1.864 40 0 DDABHN Cc1oncc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000107195766 407370332 /nfs/dbraw/zinc/37/03/32/407370332.db2.gz NBZQVMOOBVQBAC-GASCZTMLSA-N 0 3 312.373 1.582 40 0 DDABHN c1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)cs1 ZINC000107746723 407379522 /nfs/dbraw/zinc/37/95/22/407379522.db2.gz FAEGGLWVNGHJFD-LSDHHAIUSA-N 0 3 316.430 1.876 40 0 DDABHN Cc1nccc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)n1 ZINC000257207806 407493859 /nfs/dbraw/zinc/49/38/59/407493859.db2.gz BJIZENSPHBJBCO-FAYQHZLMSA-N 0 3 300.406 1.872 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)CO ZINC000218413779 407518273 /nfs/dbraw/zinc/51/82/73/407518273.db2.gz GGJUAAZIIXMRGQ-RWMBFGLXSA-N 0 3 303.811 1.178 40 0 DDABHN COCC(=O)NCC[C@H]1Cn2nccc2CN(C2CCC2)C1 ZINC000247823114 408512140 /nfs/dbraw/zinc/51/21/40/408512140.db2.gz ITPSHWJAFURRFF-CYBMUJFWSA-N 0 3 306.410 1.020 40 0 DDABHN CCN1CCOC[C@]2(CCCN(C(=O)C3CCOCC3)C2)C1 ZINC000096076829 279382408 /nfs/dbraw/zinc/38/24/08/279382408.db2.gz AQYUEDODGQTTIH-QGZVFWFLSA-N 0 3 310.438 1.374 40 0 DDABHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391380 280274744 /nfs/dbraw/zinc/27/47/44/280274744.db2.gz ARTBZQRCZJEYHG-STQMWFEESA-N 0 3 313.442 1.876 40 0 DDABHN NCC(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079412243 185170154 /nfs/dbraw/zinc/17/01/54/185170154.db2.gz HRCSLWYDJNHBES-CQSZACIVSA-N 0 3 305.378 1.253 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409890 185169441 /nfs/dbraw/zinc/16/94/41/185169441.db2.gz BMQYPODQRWUAGO-NWDGAFQWSA-N 0 3 311.426 1.582 40 0 DDABHN Cc1ccc(Cl)cc1NC(=O)C[C@@H](NCCC[NH3+])C(=O)[O-] ZINC000004280166 181092151 /nfs/dbraw/zinc/09/21/51/181092151.db2.gz HPZMSTAQZJFHIA-GFCCVEGCSA-N 0 3 313.785 1.369 40 0 DDABHN Cc1ccc(C[C@H]2CCN(C(=O)/C=C/CN(C)C)C[C@@H]2O)cc1 ZINC000585290667 354825142 /nfs/dbraw/zinc/82/51/42/354825142.db2.gz ZPBBIYDKOIYKJZ-ZLKFPQNLSA-N 0 3 316.445 1.865 40 0 DDABHN CNCC(=O)N1Cc2nccn2C[C@H]1c1ccccc1OC ZINC000257270670 203000663 /nfs/dbraw/zinc/00/06/63/203000663.db2.gz MVEVGTOTUQXMPY-ZDUSSCGKSA-N 0 3 300.362 1.195 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000257272786 203002620 /nfs/dbraw/zinc/00/26/20/203002620.db2.gz NDWGCMMZCONKFK-MRXNPFEDSA-N 0 3 308.447 1.766 40 0 DDABHN Cc1ccc(Nc2nccc([C@@H]3CCN(C(=O)CN)C3)n2)nc1 ZINC000257293828 203019091 /nfs/dbraw/zinc/01/90/91/203019091.db2.gz QRILKDWXMFYMHX-GFCCVEGCSA-N 0 3 312.377 1.198 40 0 DDABHN OCCOc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000257335871 203057822 /nfs/dbraw/zinc/05/78/22/203057822.db2.gz YMGPAJOUPRPXHE-QGZVFWFLSA-N 0 3 321.417 1.564 40 0 DDABHN COCCN1CC[C@@H](Cc2cnc(-c3cc(C)[nH]n3)cn2)C1 ZINC000257327462 203050148 /nfs/dbraw/zinc/05/01/48/203050148.db2.gz XBLBELUBEAHZPO-ZDUSSCGKSA-N 0 3 301.394 1.686 40 0 DDABHN O=C(CCc1ccccc1F)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257344170 203067650 /nfs/dbraw/zinc/06/76/50/203067650.db2.gz ZWANIUINYGJLSE-HZPDHXFCSA-N 0 3 306.381 1.426 40 0 DDABHN CC(C)c1ccc([C@H](N)CNC(=O)C[C@H]2COCCN2)cc1 ZINC000261969624 203164158 /nfs/dbraw/zinc/16/41/58/203164158.db2.gz CQWVWHNRUZDOQB-JKSUJKDBSA-N 0 3 305.422 1.305 40 0 DDABHN C[N@@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1 ZINC000019590215 182131805 /nfs/dbraw/zinc/13/18/05/182131805.db2.gz LLWWOCBWRDWETE-GFCCVEGCSA-N 0 3 316.405 1.286 40 0 DDABHN C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1 ZINC000019590215 182131806 /nfs/dbraw/zinc/13/18/06/182131806.db2.gz LLWWOCBWRDWETE-GFCCVEGCSA-N 0 3 316.405 1.286 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000252515165 257106515 /nfs/dbraw/zinc/10/65/15/257106515.db2.gz HSKRTJBWZWQIEF-BFHYXJOUSA-N 0 3 317.838 1.832 40 0 DDABHN COc1ccc([C@H](N)c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095533840 257137464 /nfs/dbraw/zinc/13/74/64/257137464.db2.gz QNIQQVJYTFZNRW-AWEZNQCLSA-N 0 3 314.349 1.115 40 0 DDABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(C1CCOCC1)C2 ZINC000225495258 257215753 /nfs/dbraw/zinc/21/57/53/257215753.db2.gz CKIYPGLLVCKALI-INIZCTEOSA-N 0 3 305.422 1.572 40 0 biogenic,in-vitro DDABHN COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CCc1ccccc1 ZINC000317493439 533239626 /nfs/dbraw/zinc/23/96/26/533239626.db2.gz BVIVYMUYPQLVTC-GJZGRUSLSA-N 0 3 306.406 1.650 40 0 DDABHN OCCN1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096239827 407254760 /nfs/dbraw/zinc/25/47/60/407254760.db2.gz LNYSFXWCMMFJOD-OAHLLOKOSA-N 0 3 311.376 1.607 40 0 DDABHN O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096043229 407226365 /nfs/dbraw/zinc/22/63/65/407226365.db2.gz UUPSIPMVNDMAQE-MAZHCROVSA-N 0 3 308.422 1.314 40 0 DDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccncc3)C2)O1 ZINC000096052298 407228392 /nfs/dbraw/zinc/22/83/92/407228392.db2.gz ICJZIWPIGQDQOU-IAGOWNOFSA-N 0 3 305.422 1.393 40 0 DDABHN Cc1ccc(CN2CCC3(C[C@@H]3CNS(C)(=O)=O)CC2)o1 ZINC000096077329 407235082 /nfs/dbraw/zinc/23/50/82/407235082.db2.gz SJOPVJSPKFXPPG-CYBMUJFWSA-N 0 3 312.435 1.739 40 0 DDABHN O=C(c1cc[nH]n1)N1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2C1 ZINC000096081456 407235302 /nfs/dbraw/zinc/23/53/02/407235302.db2.gz NEWHRPAQHXJNHG-LSDHHAIUSA-N 0 3 311.389 1.399 40 0 DDABHN O=C(c1ccn[nH]1)N1C[C@@H]2CCN(Cc3ccncc3)C[C@@H]2C1 ZINC000096081456 407235305 /nfs/dbraw/zinc/23/53/05/407235305.db2.gz NEWHRPAQHXJNHG-LSDHHAIUSA-N 0 3 311.389 1.399 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(C)o1)CC[C@@H]2OC ZINC000096111061 407238670 /nfs/dbraw/zinc/23/86/70/407238670.db2.gz QXJFJQMATJSMNM-ZNMIVQPWSA-N 0 3 322.405 1.396 40 0 DDABHN Cn1cc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)cn1 ZINC000096161794 407242255 /nfs/dbraw/zinc/24/22/55/407242255.db2.gz QVGAHMHKPZBOEM-BETUJISGSA-N 0 3 317.418 1.081 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cnn(C)c1 ZINC000096200903 407248608 /nfs/dbraw/zinc/24/86/08/407248608.db2.gz RNYKAILIAYXPMQ-KGLIPLIRSA-N 0 3 302.378 1.401 40 0 DDABHN O=C(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)[C@@H]1CNCCO1 ZINC000257198240 407489629 /nfs/dbraw/zinc/48/96/29/407489629.db2.gz WYBFVLBORQSDFQ-JTQLQIEISA-N 0 3 314.267 1.509 40 0 DDABHN COC1CCN(C(=O)c2ccccc2-n2cc(CN)cn2)CC1 ZINC000257209639 407497115 /nfs/dbraw/zinc/49/71/15/407497115.db2.gz BRGLPLXBKLNMLT-UHFFFAOYSA-N 0 3 314.389 1.582 40 0 DDABHN CC(=O)N1CCC(c2nc(C)cc(NCCN(C)C)n2)CC1 ZINC000072364998 191133869 /nfs/dbraw/zinc/13/38/69/191133869.db2.gz KBENTDPAJKCJKE-UHFFFAOYSA-N 0 3 305.426 1.484 40 0 DDABHN CCCCc1ncc(CN2CC[C@@H](OC)[C@H](CC(=O)NC)C2)[nH]1 ZINC000585276632 354820444 /nfs/dbraw/zinc/82/04/44/354820444.db2.gz OMTREWAVXPJUSM-UKRRQHHQSA-N 0 3 322.453 1.725 40 0 DDABHN Cc1cc([C@@H]2CN(C(=O)C3CCN(C)CC3)CCO2)nc(C)n1 ZINC000257292878 203017574 /nfs/dbraw/zinc/01/75/74/203017574.db2.gz QNIBAVAYGFHJTJ-INIZCTEOSA-N 0 3 318.421 1.335 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000257315634 203041794 /nfs/dbraw/zinc/04/17/94/203041794.db2.gz VCFIZYAZGMEXIN-ZDUSSCGKSA-N 0 3 313.405 1.819 40 0 DDABHN CN(CC(=O)N1CCC[C@H]1c1ccnc(=O)[nH]1)C1CCCC1 ZINC000257335555 203059045 /nfs/dbraw/zinc/05/90/45/203059045.db2.gz YKRSMKSDJBFTAN-AWEZNQCLSA-N 0 3 304.394 1.720 40 0 DDABHN Cc1cccc(O[C@H](C)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000022829963 182336268 /nfs/dbraw/zinc/33/62/68/182336268.db2.gz CJJCUNVVAXEEOC-MRXNPFEDSA-N 0 3 319.449 1.516 40 0 DDABHN CN(C)CCNC(=O)c1nc2c(s1)CCCN2CC1CC1 ZINC000104816940 194044345 /nfs/dbraw/zinc/04/43/45/194044345.db2.gz KZFABGNFLDUQEB-UHFFFAOYSA-N 0 3 308.451 1.597 40 0 DDABHN CN1CCC2(C1)CCN(S(=O)(=O)c1ccccc1F)CC2 ZINC000063527798 184284582 /nfs/dbraw/zinc/28/45/82/184284582.db2.gz DPBMAEAMNNQOFJ-UHFFFAOYSA-N 0 3 312.410 1.932 40 0 DDABHN NC[C@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036852 257131870 /nfs/dbraw/zinc/13/18/70/257131870.db2.gz ZIAHXLVQMCPXBT-JYJNAYRXSA-N 0 3 302.399 1.283 40 0 DDABHN CCN(CC)C[C@@H]1OC[C@@H](NC(=O)c2cccc(F)c2)[C@H]1O ZINC000514289593 257216373 /nfs/dbraw/zinc/21/63/73/257216373.db2.gz WBKHEIFHPGAQBS-QLFBSQMISA-N 0 3 310.369 1.026 40 0 biogenic,in-vitro DDABHN CC(C)CN1C[C@@H]2CN(C3CCOCC3)CCN2C(C)(C)C1 ZINC000514289751 257215535 /nfs/dbraw/zinc/21/55/35/257215535.db2.gz OJFZCSHMBTUFQS-QGZVFWFLSA-N 0 3 309.498 1.902 40 0 biogenic,in-vitro DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000006953116 406745523 /nfs/dbraw/zinc/74/55/23/406745523.db2.gz RHCLVYQGDFZIOU-OAHLLOKOSA-N 0 3 303.406 1.842 40 0 DDABHN c1cc(-c2noc([C@@H]3CCCN3)n2)cc(N2CCOCC2)n1 ZINC000035424645 406972033 /nfs/dbraw/zinc/97/20/33/406972033.db2.gz LLJUBVGPWPXCQJ-LBPRGKRZSA-N 0 3 301.350 1.393 40 0 biogenic,in-vitro DDABHN CCN1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260396 407257817 /nfs/dbraw/zinc/25/78/17/407257817.db2.gz HEOCPEBHGGTBKG-UHFFFAOYSA-N 0 3 316.449 1.804 40 0 DDABHN COCCN1CCN(CCN2CCCC2)Cc2ccc(C)nc21 ZINC000096069229 407233811 /nfs/dbraw/zinc/23/38/11/407233811.db2.gz ZVQPNKZMSBTNQU-UHFFFAOYSA-N 0 3 318.465 1.754 40 0 DDABHN COCCN1CCC2(CCC(=O)N2Cc2cccc(C)n2)CC1 ZINC000096075433 407234663 /nfs/dbraw/zinc/23/46/63/407234663.db2.gz QTQBCQNRGVBXKL-UHFFFAOYSA-N 0 3 317.433 1.993 40 0 DDABHN CCN1c2ccccc2C2(CCN(CCN(C)C)CC2)C1=O ZINC000096078901 407235133 /nfs/dbraw/zinc/23/51/33/407235133.db2.gz WUESGZSLRLOUAV-UHFFFAOYSA-N 0 3 301.434 1.948 40 0 DDABHN CN1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccsc3)C[C@@H]21 ZINC000096182597 407243595 /nfs/dbraw/zinc/24/35/95/407243595.db2.gz WBCGQCJDEJVNMS-OAGGEKHMSA-N 0 3 319.474 1.779 40 0 DDABHN O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2Cc2ccccc2)O1 ZINC000096183596 407244728 /nfs/dbraw/zinc/24/47/28/407244728.db2.gz IMPCVBDWILMPBO-YESZJQIVSA-N 0 3 300.402 1.945 40 0 DDABHN Cc1ncc(CN2CC[C@]3(CCC[C@H]3C(=O)N(C)C)C2)cn1 ZINC000108536186 407387821 /nfs/dbraw/zinc/38/78/21/407387821.db2.gz ZNIVHRUYFIWMGG-DOTOQJQBSA-N 0 3 302.422 1.865 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)CCOc2ccccc2F)C1 ZINC000257215219 407498031 /nfs/dbraw/zinc/49/80/31/407498031.db2.gz CPEJLDVWCSTQMF-MRXNPFEDSA-N 0 3 310.369 1.120 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218521269 407517735 /nfs/dbraw/zinc/51/77/35/407517735.db2.gz ZUJZVZIEQXDYDF-MELADBBJSA-N 0 3 301.383 1.318 40 0 DDABHN Cc1ccc2c(CC(=O)N3C[C@@H](O)[C@H](N(C)C)C3)coc2c1 ZINC000257247399 407518123 /nfs/dbraw/zinc/51/81/23/407518123.db2.gz IYWOBWXFVFHUSZ-HUUCEWRRSA-N 0 3 302.374 1.417 40 0 DDABHN CN1CCN(Cc2cc3ccccc3s2)C[C@H](C(N)=O)C1 ZINC000257252159 407521409 /nfs/dbraw/zinc/52/14/09/407521409.db2.gz JTTIPMRHNKIQTQ-CYBMUJFWSA-N 0 3 303.431 1.750 40 0 DDABHN CN(C)Cc1cnc([C@@H]2CN(Cc3ccncc3)CCO2)[nH]1 ZINC000257284097 407529518 /nfs/dbraw/zinc/52/95/18/407529518.db2.gz PBFUXYSSTOJJPQ-HNNXBMFYSA-N 0 3 301.394 1.440 40 0 DDABHN Cc1cccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)n1 ZINC000248157357 408540873 /nfs/dbraw/zinc/54/08/73/408540873.db2.gz ZQZVEFVKZAZYMR-QZTJIDSGSA-N 0 3 319.449 1.702 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NC(=O)CN ZINC000079409433 278377132 /nfs/dbraw/zinc/37/71/32/278377132.db2.gz XBCZCPFWDWBVTK-CHWSQXEVSA-N 0 3 311.426 1.772 40 0 DDABHN CN(C[C@@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079410981 185169878 /nfs/dbraw/zinc/16/98/78/185169878.db2.gz LUWZVDHLYVWBPT-INIZCTEOSA-N 0 3 306.406 1.959 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079412648 185170546 /nfs/dbraw/zinc/17/05/46/185170546.db2.gz FPBNNERSUMQJAK-GXTWGEPZSA-N 0 3 305.378 1.251 40 0 DDABHN CN(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392876 185168341 /nfs/dbraw/zinc/16/83/41/185168341.db2.gz QNMSPXSGYNATLX-HUUCEWRRSA-N 0 3 319.405 1.641 40 0 DDABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404565 185169622 /nfs/dbraw/zinc/16/96/22/185169622.db2.gz GVLDNPVFNOZPCG-YOEHRIQHSA-N 0 3 301.434 1.989 40 0 DDABHN Cn1cc(CN2CCC3(CC2)C(=O)N[C@H]3c2ccccc2)cn1 ZINC000096244716 282634473 /nfs/dbraw/zinc/63/44/73/282634473.db2.gz GIOZZMXVZRTOGG-INIZCTEOSA-N 0 3 310.401 1.873 40 0 DDABHN CCS(=O)(=O)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000585095352 354803753 /nfs/dbraw/zinc/80/37/53/354803753.db2.gz PSRNGLCEJAKBPB-CQSZACIVSA-N 0 3 312.439 1.075 40 0 DDABHN O=C1N(c2ncccn2)C[C@@]12CCCN(C[C@@H]1CCCO1)C2 ZINC000585099373 354807058 /nfs/dbraw/zinc/80/70/58/354807058.db2.gz HSKNBQARQBMTMN-BBRMVZONSA-N 0 3 302.378 1.084 40 0 DDABHN CN(C)C/C=C/C(=O)N[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289404 354825590 /nfs/dbraw/zinc/82/55/90/354825590.db2.gz IYQWTJYMZBLYFV-WIUOWWFRSA-N 0 3 304.390 1.191 40 0 DDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2cc(F)ccc2F)C1 ZINC000257301939 203026242 /nfs/dbraw/zinc/02/62/42/203026242.db2.gz SAQXMKVITLDTOQ-ZDUSSCGKSA-N 0 3 311.376 1.417 40 0 DDABHN COc1cc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)ncn1 ZINC000096183295 193562880 /nfs/dbraw/zinc/56/28/80/193562880.db2.gz VEXKCMWEXXAVQX-UONOGXRCSA-N 0 3 304.394 1.175 40 0 DDABHN CCn1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019524295 182128205 /nfs/dbraw/zinc/12/82/05/182128205.db2.gz UQLRBKNISHGGBT-SOUVJXGZSA-N 0 3 314.433 1.696 40 0 DDABHN NCC1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035680 257131397 /nfs/dbraw/zinc/13/13/97/257131397.db2.gz BFJXUQYNYILNKN-HOTGVXAUSA-N 0 3 316.426 1.530 40 0 DDABHN CCOC(=O)[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217998962 257131770 /nfs/dbraw/zinc/13/17/70/257131770.db2.gz JVPMPPWJNOMAAA-YPMHNXCESA-N 0 3 317.794 1.394 40 0 DDABHN COc1cccc(OC[C@@H](O)CN2CCC(CCO)CC2)c1 ZINC000002674971 406696450 /nfs/dbraw/zinc/69/64/50/406696450.db2.gz XQGRTLOKWCSQKH-HNNXBMFYSA-N 0 3 309.406 1.529 40 0 DDABHN CS(=O)(=O)N1CCc2cc([C@@H](O)CN3CCCC3)ccc21 ZINC000012146841 406836983 /nfs/dbraw/zinc/83/69/83/406836983.db2.gz JIVFXBISQMVEIL-HNNXBMFYSA-N 0 3 310.419 1.138 40 0 DDABHN c1cn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)cn1 ZINC000096250218 407255559 /nfs/dbraw/zinc/25/55/59/407255559.db2.gz BOPKJIKXOJLDEX-YESZJQIVSA-N 0 3 305.422 1.789 40 0 DDABHN O=c1[n-]c([C@@H]2CCC[NH2+]C2)nc2c1nnn2Cc1ccccc1 ZINC000096297267 407258976 /nfs/dbraw/zinc/25/89/76/407258976.db2.gz KZUCQGDIMFHZKZ-GFCCVEGCSA-N 0 3 310.361 1.442 40 0 DDABHN CC(C)NC(=O)[C@H]1COC[C@H]2CN(Cc3ccncc3)C[C@H]21 ZINC000096040712 407225327 /nfs/dbraw/zinc/22/53/27/407225327.db2.gz MKHQOSAHVYCGDR-OAGGEKHMSA-N 0 3 303.406 1.301 40 0 DDABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043238 407226435 /nfs/dbraw/zinc/22/64/35/407226435.db2.gz KBCMLLPJUCQKQL-JQHSSLGASA-N 0 3 314.429 1.987 40 0 DDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096049611 407227220 /nfs/dbraw/zinc/22/72/20/407227220.db2.gz LOYYFOREXYETBX-QGZVFWFLSA-N 0 3 303.406 1.656 40 0 DDABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccco3)CC[C@H]12)C1CC1 ZINC000096057584 407230788 /nfs/dbraw/zinc/23/07/88/407230788.db2.gz SOHUCEXNPRWPNQ-BPUTZDHNSA-N 0 3 304.390 1.643 40 0 DDABHN CN(C)C(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096062419 407233105 /nfs/dbraw/zinc/23/31/05/407233105.db2.gz PQHKNOLJUFDZBY-MRXNPFEDSA-N 0 3 323.462 1.954 40 0 DDABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000096066290 407234409 /nfs/dbraw/zinc/23/44/09/407234409.db2.gz SUJJDKVWWVQPNV-UAGQMJEPSA-N 0 3 300.402 1.945 40 0 DDABHN CC(C)NC(=O)N1CCOC[C@]2(CCN(Cc3ccco3)C2)C1 ZINC000096202165 407249461 /nfs/dbraw/zinc/24/94/61/407249461.db2.gz LFPRXFQQHDJPNV-KRWDZBQOSA-N 0 3 321.421 1.922 40 0 DDABHN O=C(N1C[C@@H](O)[C@H](N2CCCC2)C1)C1(c2ccccc2)CC1 ZINC000257222464 407502436 /nfs/dbraw/zinc/50/24/36/407502436.db2.gz DTKFJEWFRFFMEL-HZPDHXFCSA-N 0 3 300.402 1.386 40 0 DDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cccnc1)C2)[C@H]3O ZINC000257248650 407517190 /nfs/dbraw/zinc/51/71/90/407517190.db2.gz JEPUQJLSHRVOBB-FDPKGLCPSA-N 0 3 315.417 1.387 40 0 DDABHN CNC(=O)CCc1cc([C@H]2CCCN(CCOC)C2)nc(C)n1 ZINC000257245471 407517569 /nfs/dbraw/zinc/51/75/69/407517569.db2.gz IPQWSOKRNHDDFX-AWEZNQCLSA-N 0 3 320.437 1.289 40 0 DDABHN CC(=O)N1CCC(N2CCN(C)[C@H](c3ccccc3)C2)CC1 ZINC000257290239 407534678 /nfs/dbraw/zinc/53/46/78/407534678.db2.gz QCDAFJKYYLJMSG-SFHVURJKSA-N 0 3 301.434 1.986 40 0 DDABHN COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3C)C[C@H]12 ZINC000248169142 408540550 /nfs/dbraw/zinc/54/05/50/408540550.db2.gz URDPNXANVAFKGB-BRWVUGGUSA-N 0 3 318.417 1.204 40 0 DDABHN Cc1ccc(NC(=S)NCCN(C)C)cc1N1CCCC1=O ZINC000225404533 280915457 /nfs/dbraw/zinc/91/54/57/280915457.db2.gz AESLGGQSBRFRNJ-UHFFFAOYSA-N 0 3 320.462 1.970 40 0 DDABHN Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218048285 484146892 /nfs/dbraw/zinc/14/68/92/484146892.db2.gz FSMVVSJHQLJGST-ULQDDVLXSA-N 0 3 316.426 1.591 40 0 DDABHN CC(C)N(C)S(=O)(=O)c1ccc(CN[C@H]2CCOC2)cc1 ZINC000088688711 185262374 /nfs/dbraw/zinc/26/23/74/185262374.db2.gz XUQRWNUUMIJNSQ-AWEZNQCLSA-N 0 3 312.435 1.594 40 0 DDABHN CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](NCc3ccccc3)CO[C@H]12 ZINC000004236508 181086929 /nfs/dbraw/zinc/08/69/29/181086929.db2.gz IVFFSXHYWCRJHU-GBJTYRQASA-N 0 3 306.362 1.057 40 0 biogenic,in-vitro DDABHN O=C([C@H]1CCCS1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093714 354802977 /nfs/dbraw/zinc/80/29/77/354802977.db2.gz AAUBQWHHLFRLLV-UONOGXRCSA-N 0 3 310.463 1.187 40 0 DDABHN Cc1ccccc1OC[C@@]1(O)COCCN(C2CCOCC2)C1 ZINC000585275297 354819466 /nfs/dbraw/zinc/81/94/66/354819466.db2.gz CLAPQWRVWKAJSR-SFHVURJKSA-N 0 3 321.417 1.616 40 0 DDABHN CCN(Cc1ccncc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257275606 203004556 /nfs/dbraw/zinc/00/45/56/203004556.db2.gz NQBMEAPPOHOILF-MRXNPFEDSA-N 0 3 314.393 1.252 40 0 DDABHN CN1CCN(Cc2cccc(C(F)(F)F)c2)C[C@@H](C(N)=O)C1 ZINC000257330208 203052992 /nfs/dbraw/zinc/05/29/92/203052992.db2.gz XNJRCGOFVHSKIX-LBPRGKRZSA-N 0 3 315.339 1.554 40 0 DDABHN CCCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019501172 182126031 /nfs/dbraw/zinc/12/60/31/182126031.db2.gz POPTYCVLKYNAHC-UHFFFAOYSA-N 0 3 302.422 1.971 40 0 DDABHN CN1CCC[C@@H](c2nnc3n2CCN(C(=O)C(C)(C)C)CC3)C1 ZINC000019709464 182137120 /nfs/dbraw/zinc/13/71/20/182137120.db2.gz VDFQECAKKDYZSI-CYBMUJFWSA-N 0 3 319.453 1.518 40 0 DDABHN CN1CCN(CCCNC(=O)CSCc2ccccc2)CC1 ZINC000022933884 182342711 /nfs/dbraw/zinc/34/27/11/182342711.db2.gz MCIHFXMRFSZBIR-UHFFFAOYSA-N 0 3 321.490 1.674 40 0 DDABHN COc1cccc(C(=O)NCCCN2CCN(C)CC2)c1OC ZINC000061524155 184172568 /nfs/dbraw/zinc/17/25/68/184172568.db2.gz DCZYUUAAGBBKIU-UHFFFAOYSA-N 0 3 321.421 1.071 40 0 DDABHN CO[C@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@@]12CCCO2 ZINC000257324255 286070190 /nfs/dbraw/zinc/07/01/90/286070190.db2.gz WNWLZKFUXDDDSA-RDJZCZTQSA-N 0 3 310.438 1.657 40 0 DDABHN CN(C)CCNC(=O)COc1ccc(Br)cc1 ZINC000001895650 406681758 /nfs/dbraw/zinc/68/17/58/406681758.db2.gz KUOPCQIFGJFEJB-UHFFFAOYSA-N 0 3 301.184 1.506 40 0 DDABHN COCCNCc1cc2c(C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186310 406839377 /nfs/dbraw/zinc/83/93/77/406839377.db2.gz KNTJCAOGSQKJHA-UHFFFAOYSA-N 0 3 312.373 1.758 40 0 DDABHN Cc1ccc(N2C[C@H]3[C@@H](C2)CCC[C@H]3CN2CCOCC2)nn1 ZINC000096249009 407255991 /nfs/dbraw/zinc/25/59/91/407255991.db2.gz YJTPTWJPNZOAAP-GVDBMIGSSA-N 0 3 316.449 1.970 40 0 DDABHN Cn1cc(CN2CCc3ncnc(N4CCCC4)c3CC2)cn1 ZINC000096255439 407257316 /nfs/dbraw/zinc/25/73/16/407257316.db2.gz RUHUZLSJJZUNCT-UHFFFAOYSA-N 0 3 312.421 1.411 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)NCC1CC1 ZINC000096040816 407225511 /nfs/dbraw/zinc/22/55/11/407225511.db2.gz DVQMOYGFSPDZSN-ZACQAIPSSA-N 0 3 318.417 1.890 40 0 DDABHN CN1C(=O)C[C@H](c2ccncc2)C12CCN([C@H]1CCOC1)CC2 ZINC000096069804 407233982 /nfs/dbraw/zinc/23/39/82/407233982.db2.gz PCUQNZOMERBBOM-JKSUJKDBSA-N 0 3 315.417 1.651 40 0 DDABHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)no1 ZINC000096200997 407248639 /nfs/dbraw/zinc/24/86/39/407248639.db2.gz WDQCCICDCXZWES-CVEARBPZSA-N 0 3 314.389 1.765 40 0 DDABHN CNc1cccc([C@@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 ZINC000257238094 407511287 /nfs/dbraw/zinc/51/12/87/407511287.db2.gz HJOFOOUGYHKWGF-ZDUSSCGKSA-N 0 3 304.394 1.295 40 0 DDABHN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218523481 407522843 /nfs/dbraw/zinc/52/28/43/407522843.db2.gz LDZDZSWXYYZRHV-YESZJQIVSA-N 0 3 316.426 1.591 40 0 DDABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079404563 185169780 /nfs/dbraw/zinc/16/97/80/185169780.db2.gz GVLDNPVFNOZPCG-WMLDXEAASA-N 0 3 301.434 1.989 40 0 DDABHN NCC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392980 185168476 /nfs/dbraw/zinc/16/84/76/185168476.db2.gz BOGMAWYXBSOEML-OAHLLOKOSA-N 0 3 317.389 1.347 40 0 DDABHN CCN(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392900 185168612 /nfs/dbraw/zinc/16/86/12/185168612.db2.gz ZERGXOGGBVDSNZ-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN CC(C)N(CC1CCN(C(=O)CN)CC1)C(=O)OC(C)(C)C ZINC000079409303 185169615 /nfs/dbraw/zinc/16/96/15/185169615.db2.gz XHHJBXOXHCDXDN-UHFFFAOYSA-N 0 3 313.442 1.829 40 0 DDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000096038783 256552455 /nfs/dbraw/zinc/55/24/55/256552455.db2.gz QSXALTYGQNGSIS-NVXWUHKLSA-N 0 3 319.405 1.551 40 0 DDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2c(F)cccc2F)C1 ZINC000257286809 256621820 /nfs/dbraw/zinc/62/18/20/256621820.db2.gz PNDOMQSZGUULEA-GFCCVEGCSA-N 0 3 311.376 1.417 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CN)COC ZINC000252514987 257106195 /nfs/dbraw/zinc/10/61/95/257106195.db2.gz FQJUQKKVUJOQFL-MJBXVCDLSA-N 0 3 317.838 1.832 40 0 DDABHN CC1CCN(C[C@@H]2OC[C@H](NCc3ccccn3)[C@H]2O)CC1 ZINC000514289032 257216059 /nfs/dbraw/zinc/21/60/59/257216059.db2.gz MLCUKKVDEPHJMW-YESZJQIVSA-N 0 3 305.422 1.031 40 0 biogenic,in-vitro DDABHN O=S1(=O)N[C@@H]2CN(C3CCCC3)C[C@@H]2Oc2ccccc21 ZINC000514290099 257215369 /nfs/dbraw/zinc/21/53/69/257215369.db2.gz SAOBUDMJJLDHLV-OCCSQVGLSA-N 0 3 308.403 1.353 40 0 biogenic,in-vitro DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)NC1CC1 ZINC000096040859 407225450 /nfs/dbraw/zinc/22/54/50/407225450.db2.gz BMHPZKYDBZBFDB-FMKPAKJESA-N 0 3 304.390 1.643 40 0 DDABHN O=C(c1cccnc1)N1CCC2(CN(CC3CCOCC3)C2)C1 ZINC000096046473 407227223 /nfs/dbraw/zinc/22/72/23/407227223.db2.gz PUBSLRGIISTXBA-UHFFFAOYSA-N 0 3 315.417 1.656 40 0 DDABHN COCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@@H]2N(C)Cc1cccnc1 ZINC000096182945 407243736 /nfs/dbraw/zinc/24/37/36/407243736.db2.gz PUBWSGOYMKNSMP-IKGGRYGDSA-N 0 3 317.433 1.787 40 0 DDABHN c1cc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)co1 ZINC000096185430 407244529 /nfs/dbraw/zinc/24/45/29/407244529.db2.gz QCYIRCJSMIAXEV-YESZJQIVSA-N 0 3 306.406 1.449 40 0 DDABHN OCCc1cc(CC2(N(CC3CC3)CC3CC3)COC2)no1 ZINC000067897728 407289263 /nfs/dbraw/zinc/28/92/63/407289263.db2.gz CSUWEDMADUEKAH-UHFFFAOYSA-N 0 3 306.406 1.643 40 0 biogenic,in-vitro DDABHN OCCOc1cccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c1 ZINC000257205530 407492689 /nfs/dbraw/zinc/49/26/89/407492689.db2.gz AZMIYUGCEUHCLU-IRXDYDNUSA-N 0 3 307.390 1.174 40 0 DDABHN Cc1nccc([C@@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257216817 407500270 /nfs/dbraw/zinc/50/02/70/407500270.db2.gz CWEYGIXJGMMUSY-INIZCTEOSA-N 0 3 318.421 1.559 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccccc1C ZINC000339696639 410392902 /nfs/dbraw/zinc/39/29/02/410392902.db2.gz MMDWTSCELFCTDB-HNNXBMFYSA-N 0 3 303.406 1.212 40 0 DDABHN C[C@]1(NCCNCc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575423064 422298408 /nfs/dbraw/zinc/29/84/08/422298408.db2.gz XWVMNLKDVMONJR-AWEZNQCLSA-N 0 3 316.854 1.596 40 0 DDABHN CO[C@H]1CCN(C2CCOCC2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096217129 274080153 /nfs/dbraw/zinc/08/01/53/274080153.db2.gz CQZVKHWASJLJGH-KSZLIROESA-N 0 3 320.433 1.980 40 0 DDABHN CCN1CCC2(CC1)c1cc(C(=O)N(C)C)ccc1NC2=O ZINC000096078969 276152393 /nfs/dbraw/zinc/15/23/93/276152393.db2.gz WVXSHLDUSZIEDN-UHFFFAOYSA-N 0 3 301.390 1.694 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412668 185170441 /nfs/dbraw/zinc/17/04/41/185170441.db2.gz PBGLBNZHZAHXEB-GXTWGEPZSA-N 0 3 305.378 1.109 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391399 185167988 /nfs/dbraw/zinc/16/79/88/185167988.db2.gz FVWYMSITWXTNBF-OLZOCXBDSA-N 0 3 313.442 1.685 40 0 DDABHN CC(C)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391287 185168129 /nfs/dbraw/zinc/16/81/29/185168129.db2.gz NSBRJOISVGNFKB-QWHCGFSZSA-N 0 3 313.442 1.828 40 0 DDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1cccnc1 ZINC000072324838 191123582 /nfs/dbraw/zinc/12/35/82/191123582.db2.gz WYIMZPPFHCMAKZ-FHLIZLRMSA-N 0 3 312.417 1.512 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)C[C@H]1O ZINC000585182247 354817643 /nfs/dbraw/zinc/81/76/43/354817643.db2.gz KCQOTOQKNVOYAJ-VXGBXAGGSA-N 0 3 302.296 1.452 40 0 DDABHN CNc1ncccc1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292184 354826020 /nfs/dbraw/zinc/82/60/20/354826020.db2.gz FQHGSCRPIKTWSV-BRWVUGGUSA-N 0 3 313.401 1.445 40 0 DDABHN CC(=O)N[C@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 ZINC000257304815 203028944 /nfs/dbraw/zinc/02/89/44/203028944.db2.gz SNGAPPSYDDBQTE-AWEZNQCLSA-N 0 3 306.410 1.070 40 0 DDABHN CC(=O)N1CCC(O)(CN2CCC[C@H](c3nccs3)C2)CC1 ZINC000257288283 203013738 /nfs/dbraw/zinc/01/37/38/203013738.db2.gz PTPJVHBQXOVWHB-AWEZNQCLSA-N 0 3 323.462 1.696 40 0 DDABHN CC(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 ZINC000257314076 203039197 /nfs/dbraw/zinc/03/91/97/203039197.db2.gz UVERMSKQFZQREW-IAGOWNOFSA-N 0 3 304.390 1.121 40 0 DDABHN O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2CNC[C@H]21 ZINC000306142675 285074717 /nfs/dbraw/zinc/07/47/17/285074717.db2.gz XGEWIVPMUNXCEE-TZMCWYRMSA-N 0 3 304.346 1.730 40 0 DDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000242538945 257120188 /nfs/dbraw/zinc/12/01/88/257120188.db2.gz JIXOLIWQMNRVJR-OAGGEKHMSA-N 0 3 320.389 1.422 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218447115 257130517 /nfs/dbraw/zinc/13/05/17/257130517.db2.gz GWSINPKOOKHISK-MELADBBJSA-N 0 3 317.838 1.832 40 0 DDABHN CCOC(=O)[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217998885 257131355 /nfs/dbraw/zinc/13/13/55/257131355.db2.gz JVPMPPWJNOMAAA-DGCLKSJQSA-N 0 3 317.794 1.394 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218022949 257131529 /nfs/dbraw/zinc/13/15/29/257131529.db2.gz VJIVNVRXMXWSGF-VNHYZAJKSA-N 0 3 311.403 1.095 40 0 DDABHN c1nc2c([nH]1)[C@@H](c1ccc([C@H]3NCCc4nc[nH]c43)cc1)NCC2 ZINC000001730857 285578227 /nfs/dbraw/zinc/57/82/27/285578227.db2.gz YMRZRVBWYWHBST-HZPDHXFCSA-N 0 3 320.400 1.603 40 0 DDABHN Cc1ccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 ZINC000096201960 292176342 /nfs/dbraw/zinc/17/63/42/292176342.db2.gz YATFMWRYIMJDDS-MRXNPFEDSA-N 0 3 324.446 1.338 40 0 DDABHN COc1ccccc1[C@H]1CNCCN1C(=O)CN1CCCC1 ZINC000257244965 286518008 /nfs/dbraw/zinc/51/80/08/286518008.db2.gz INMVPDPTQMSALH-OAHLLOKOSA-N 0 3 303.406 1.264 40 0 DDABHN Cc1cc(N2CCN[C@@H](C)C2)c(Cl)cc1S(C)(=O)=O ZINC000039320877 407001583 /nfs/dbraw/zinc/00/15/83/407001583.db2.gz SABRZRLYXKXYGS-JTQLQIEISA-N 0 3 302.827 1.850 40 0 DDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208301 407251389 /nfs/dbraw/zinc/25/13/89/407251389.db2.gz DXYCRNGBYGMBDH-OAHLLOKOSA-N 0 3 303.406 1.365 40 0 DDABHN O=C(c1ccoc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246133 407256527 /nfs/dbraw/zinc/25/65/27/407256527.db2.gz HPYNXGJPIYYTLN-IMJJTQAJSA-N 0 3 304.390 1.853 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccncc1 ZINC000096061737 407231466 /nfs/dbraw/zinc/23/14/66/407231466.db2.gz YJHFTUVUPJAJDT-CVEARBPZSA-N 0 3 311.389 1.259 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccncc1)CCC2 ZINC000096059568 407231602 /nfs/dbraw/zinc/23/16/02/407231602.db2.gz QALVTWHTFYGINE-UHFFFAOYSA-N 0 3 313.405 1.106 40 0 DDABHN O=C(NC1CCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096064852 407232736 /nfs/dbraw/zinc/23/27/36/407232736.db2.gz OUQBADRUJQLGER-NVXWUHKLSA-N 0 3 304.390 1.929 40 0 DDABHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@H]12)c1ccnnc1 ZINC000096065187 407233314 /nfs/dbraw/zinc/23/33/14/407233314.db2.gz ROFOIEWLXHTLSO-XHSDSOJGSA-N 0 3 316.405 1.096 40 0 DDABHN CN(C)C(=O)CN1CC[C@]2(CCCN(Cc3ccoc3)C2)C1=O ZINC000096073982 407235178 /nfs/dbraw/zinc/23/51/78/407235178.db2.gz ODMRXLKGTFIARM-KRWDZBQOSA-N 0 3 319.405 1.182 40 0 DDABHN O=C(NCc1ccco1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000097953823 407303952 /nfs/dbraw/zinc/30/39/52/407303952.db2.gz UJCXDJRWXFERCR-VBNZEHGJSA-N 0 3 304.390 1.928 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000257265687 407526784 /nfs/dbraw/zinc/52/67/84/407526784.db2.gz LZWCDABZQQOTHU-GOSISDBHSA-N 0 3 302.418 1.243 40 0 DDABHN CN(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412319 289704203 /nfs/dbraw/zinc/70/42/03/289704203.db2.gz XNUWVGMSWWRGHM-HNNXBMFYSA-N 0 3 319.405 1.452 40 0 DDABHN CN1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000074707409 185011204 /nfs/dbraw/zinc/01/12/04/185011204.db2.gz GBOCONJFNNVMGG-UHFFFAOYSA-N 0 3 305.397 1.816 40 0 DDABHN CN(C[C@@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412334 185170477 /nfs/dbraw/zinc/17/04/77/185170477.db2.gz QJTAFXJTNAEROX-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN C[C@H](N)C(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393054 185168781 /nfs/dbraw/zinc/16/87/81/185168781.db2.gz UPSCUQARSMUOQA-ZDUSSCGKSA-N 0 3 319.405 1.499 40 0 DDABHN OCCN1CCC(c2csc(Nc3cnccn3)n2)CC1 ZINC000072363466 191132841 /nfs/dbraw/zinc/13/28/41/191132841.db2.gz BNRGFLQJKVJPSF-UHFFFAOYSA-N 0 3 305.407 1.848 40 0 DDABHN Cc1cc(NCc2nccn2C)nc([C@H]2CCCN(C)C2)n1 ZINC000072365429 191134621 /nfs/dbraw/zinc/13/46/21/191134621.db2.gz AOUSLIUBRULLEP-ZDUSSCGKSA-N 0 3 300.410 1.940 40 0 DDABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCN(CCO)C2)n1 ZINC000072382631 191142244 /nfs/dbraw/zinc/14/22/44/191142244.db2.gz HKHGICYOHFPYLY-LBPRGKRZSA-N 0 3 300.366 1.100 40 0 DDABHN O=C(C[C@H]1Cn2cccc2CN(C2CCC2)C1)N1CCOCC1 ZINC000585099249 354806512 /nfs/dbraw/zinc/80/65/12/354806512.db2.gz YTUSMZSDUMNKBV-HNNXBMFYSA-N 0 3 317.433 1.721 40 0 DDABHN CO[C@@H]1COC[C@@H](CNCc2ccc(F)cc2Cl)[C@@H]1O ZINC000585286290 354823924 /nfs/dbraw/zinc/82/39/24/354823924.db2.gz KFXAPPPJLLEYGG-HONMWMINSA-N 0 3 303.761 1.591 40 0 DDABHN CN1CCC[C@H]1c1cncc(C(=O)NCCN2CCCCC2)n1 ZINC000257277486 203006787 /nfs/dbraw/zinc/00/67/87/203006787.db2.gz NYDOIVUQJIVAPM-INIZCTEOSA-N 0 3 317.437 1.459 40 0 DDABHN CC(C)N1CC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257287226 203014277 /nfs/dbraw/zinc/01/42/77/203014277.db2.gz PPBYCSGVRVVTKC-GFCCVEGCSA-N 0 3 301.394 1.629 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccnn3C)CCO2)c1 ZINC000257344292 203066491 /nfs/dbraw/zinc/06/64/91/203066491.db2.gz ZWMLWRMKPFGJOB-HNNXBMFYSA-N 0 3 315.377 1.379 40 0 DDABHN COC(=O)[C@H](C)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000012648547 406849567 /nfs/dbraw/zinc/84/95/67/406849567.db2.gz QDXPEJJDZLXRNQ-VXGBXAGGSA-N 0 3 300.399 1.785 40 0 DDABHN Cc1ccccc1OCC(=O)NCCCN1CCN(C)CC1 ZINC000022829305 406890753 /nfs/dbraw/zinc/89/07/53/406890753.db2.gz LBAVTBQWJWDAGG-UHFFFAOYSA-N 0 3 305.422 1.128 40 0 DDABHN Cc1ccccc1[C@@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000039921217 407001546 /nfs/dbraw/zinc/00/15/46/407001546.db2.gz KSABSILFCAXRFB-CQSZACIVSA-N 0 3 305.341 1.992 40 0 DDABHN CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1ccco1)CC2 ZINC000096219757 407251745 /nfs/dbraw/zinc/25/17/45/407251745.db2.gz NHHIDXYXNZWRNY-OAHLLOKOSA-N 0 3 321.421 1.922 40 0 DDABHN O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1cncnc1 ZINC000096239201 407254843 /nfs/dbraw/zinc/25/48/43/407254843.db2.gz ANSYLQNVJJZPNS-KRWDZBQOSA-N 0 3 309.373 1.501 40 0 DDABHN Cn1cc(N2CC[C@H]3CN(Cc4cccnc4)C[C@@H]3C2=O)cn1 ZINC000096249156 407256484 /nfs/dbraw/zinc/25/64/84/407256484.db2.gz MVCKRQMVDQOPSS-HOCLYGCPSA-N 0 3 311.389 1.300 40 0 DDABHN c1cncc(CN2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC000096038542 407224555 /nfs/dbraw/zinc/22/45/55/407224555.db2.gz BUOJGHNQYKRRBN-JKSUJKDBSA-N 0 3 311.389 1.209 40 0 DDABHN Cc1ccc(CN2C[C@@H]3C(=O)N(c4cncnc4)C[C@@H]3C2)s1 ZINC000096053651 407228656 /nfs/dbraw/zinc/22/86/56/407228656.db2.gz GNUBXOJMTOFERQ-WFASDCNBSA-N 0 3 314.414 1.941 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccncc3)C[C@@H]2C1 ZINC000096053948 407229996 /nfs/dbraw/zinc/22/99/96/407229996.db2.gz UKHYLPQLZJPAGN-ZIAGYGMSSA-N 0 3 314.414 1.742 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@H](NCc1nccs1)C2 ZINC000096059345 407231774 /nfs/dbraw/zinc/23/17/74/407231774.db2.gz CJPMVKAZSQRWHK-ZDUSSCGKSA-N 0 3 319.430 1.598 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1ccc(C)o1)C2 ZINC000096062300 407233192 /nfs/dbraw/zinc/23/31/92/407233192.db2.gz HJMMONFYOGBKGD-KRWDZBQOSA-N 0 3 308.422 1.759 40 0 DDABHN COc1ccc(CN2C(=O)CO[C@@H]3CN(CC4CC4)C[C@H]32)cc1 ZINC000096081666 407235784 /nfs/dbraw/zinc/23/57/84/407235784.db2.gz HWIJCQSLIOVNGZ-IAGOWNOFSA-N 0 3 316.401 1.517 40 0 DDABHN CCCN1C[C@@H](NC(=O)c2cnccn2)[C@H]2OCCC[C@H]2C1 ZINC000097953491 407303977 /nfs/dbraw/zinc/30/39/77/407303977.db2.gz FPPBMKXLLJHSIX-CFVMTHIKSA-N 0 3 304.394 1.096 40 0 DDABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NCC2CC2)C1 ZINC000108535721 407387576 /nfs/dbraw/zinc/38/75/76/407387576.db2.gz NIDQVABYGPPTRP-FUHWJXTLSA-N 0 3 316.449 1.939 40 0 DDABHN COCCN1CC2(CC1=O)CCN(Cc1ncccc1C)CC2 ZINC000108534385 407387639 /nfs/dbraw/zinc/38/76/39/407387639.db2.gz WYOJNQDLMFKTCZ-UHFFFAOYSA-N 0 3 317.433 1.851 40 0 DDABHN CN1CCC[C@H]1c1cncc(C(=O)NCCN2CCCC2)n1 ZINC000257229458 407506385 /nfs/dbraw/zinc/50/63/85/407506385.db2.gz FYFDCVKFUFJSKW-HNNXBMFYSA-N 0 3 303.410 1.069 40 0 DDABHN COC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218421613 407519590 /nfs/dbraw/zinc/51/95/90/407519590.db2.gz XSXFOGHGWCUQCY-AGIUHOORSA-N 0 3 303.811 1.442 40 0 DDABHN COc1ccc(CN2C[C@@H]3CN(C)CCN3C(C)(C)C2)cc1 ZINC000253400726 408814721 /nfs/dbraw/zinc/81/47/21/408814721.db2.gz LPEZTLJTGOWDQC-INIZCTEOSA-N 0 3 303.450 1.905 40 0 biogenic,in-vitro DDABHN COc1cc(Br)cc(OCC(=N)NO)c1OC ZINC000409443244 490781924 /nfs/dbraw/zinc/78/19/24/490781924.db2.gz JSIFEMVAUKEUMY-UHFFFAOYSA-N 0 3 305.128 1.801 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079412737 185170325 /nfs/dbraw/zinc/17/03/25/185170325.db2.gz QYLQUESVQLCWGO-GXTWGEPZSA-N 0 3 305.378 1.203 40 0 DDABHN CNCC(=O)N1CC(c2cc(Nc3nccs3)nc(C)n2)C1 ZINC000072383037 191143145 /nfs/dbraw/zinc/14/31/45/191143145.db2.gz UMVCMFVERINSSD-UHFFFAOYSA-N 0 3 318.406 1.130 40 0 DDABHN C[NH+](C)C[C@@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1 ZINC000585093679 354803044 /nfs/dbraw/zinc/80/30/44/354803044.db2.gz LVCCUUMHCNJRHG-ZDUSSCGKSA-N 0 3 304.390 1.575 40 0 DDABHN O=C([C@@H]1CCCS1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093713 354803533 /nfs/dbraw/zinc/80/35/33/354803533.db2.gz AAUBQWHHLFRLLV-KGLIPLIRSA-N 0 3 310.463 1.187 40 0 DDABHN Cn1cncc1CN1CCC[C@]2(CCC(=O)N2CCF)CC1 ZINC000585100818 354807320 /nfs/dbraw/zinc/80/73/20/354807320.db2.gz XUCZBTBUUHLBRW-INIZCTEOSA-N 0 3 308.401 1.737 40 0 DDABHN CN(CC(=O)N1CCC[C@@H]1c1ccnc(=O)[nH]1)C1CCCC1 ZINC000257335556 203057729 /nfs/dbraw/zinc/05/77/29/203057729.db2.gz YKRSMKSDJBFTAN-CQSZACIVSA-N 0 3 304.394 1.720 40 0 DDABHN COCCN1CCC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257343046 203065169 /nfs/dbraw/zinc/06/51/69/203065169.db2.gz ZRFZLDLJQLUZHZ-ZDUSSCGKSA-N 0 3 301.394 1.768 40 0 DDABHN CC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CC[NH+](C)CC3)n2)C1 ZINC000019017001 182103752 /nfs/dbraw/zinc/10/37/52/182103752.db2.gz BNXIVFIILDIYEW-CQSZACIVSA-N 0 3 318.421 1.305 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)COC ZINC000252515201 257106222 /nfs/dbraw/zinc/10/62/22/257106222.db2.gz HVXSZJKHIWFJJU-MCIONIFRSA-N 0 3 317.838 1.832 40 0 DDABHN CCOC[C@H]1CN(CCN2CCCCC2)Cc2cnn(C)c21 ZINC000096044715 286181169 /nfs/dbraw/zinc/18/11/69/286181169.db2.gz YBWASGZZUDAHDT-MRXNPFEDSA-N 0 3 306.454 1.842 40 0 DDABHN COCCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228779 407253911 /nfs/dbraw/zinc/25/39/11/407253911.db2.gz CTSDCDWJFVODGZ-KRWDZBQOSA-N 0 3 322.405 1.481 40 0 DDABHN COCCNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 ZINC000096043423 407226453 /nfs/dbraw/zinc/22/64/53/407226453.db2.gz TUBVKTQIKVCNBY-BZUAXINKSA-N 0 3 322.405 1.269 40 0 DDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1 ZINC000096049605 407227341 /nfs/dbraw/zinc/22/73/41/407227341.db2.gz VWYPOARAKHEICS-MRXNPFEDSA-N 0 3 304.394 1.051 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCN(Cc4ccccn4)C3)C2=O)cn1 ZINC000096050528 407228093 /nfs/dbraw/zinc/22/80/93/407228093.db2.gz OWFBATKYGJBZOI-QGZVFWFLSA-N 0 3 311.389 1.444 40 0 DDABHN CC(C)N1CCOC[C@@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096049736 407228598 /nfs/dbraw/zinc/22/85/98/407228598.db2.gz YUYRUXNAYWQMHP-QGZVFWFLSA-N 0 3 305.422 1.393 40 0 DDABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)n1 ZINC000096053819 407228899 /nfs/dbraw/zinc/22/88/99/407228899.db2.gz DXJNEAGZNDASLP-IYBDPMFKSA-N 0 3 322.412 1.989 40 0 DDABHN CN(C)C[C@@H]1OC[C@@H]2CN(C(=O)Cc3cccs3)CC[C@H]12 ZINC000096065611 407233292 /nfs/dbraw/zinc/23/32/92/407233292.db2.gz SJOOUZXEOMTWLJ-QEJZJMRPSA-N 0 3 308.447 1.716 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000096076243 407234855 /nfs/dbraw/zinc/23/48/55/407234855.db2.gz WPTSUELBQZMRJY-DOTOQJQBSA-N 0 3 310.438 1.515 40 0 DDABHN CC(C)CN1CCO[C@H]2CCN(C(=O)c3csnn3)CC[C@@H]21 ZINC000096082183 407235650 /nfs/dbraw/zinc/23/56/50/407235650.db2.gz ZVPMVFAQJZGERK-KBPBESRZSA-N 0 3 324.450 1.500 40 0 DDABHN Cn1cc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)cn1 ZINC000096094559 407235683 /nfs/dbraw/zinc/23/56/83/407235683.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 0 3 300.410 1.297 40 0 DDABHN Cn1cc(CN2CCc3c(CN4CCCC4)[nH]nc3C2)cn1 ZINC000096094559 407235685 /nfs/dbraw/zinc/23/56/85/407235685.db2.gz MUVXUMILXDFPNW-UHFFFAOYSA-N 0 3 300.410 1.297 40 0 DDABHN c1cc(CNC[C@@H]2Cn3nnc(-c4ccncc4)c3CO2)ccn1 ZINC000096087219 407235840 /nfs/dbraw/zinc/23/58/40/407235840.db2.gz SHSORRSDLNPYIK-OAHLLOKOSA-N 0 3 322.372 1.424 40 0 DDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccs1)C2)C1CC1 ZINC000096108414 407237267 /nfs/dbraw/zinc/23/72/67/407237267.db2.gz XGBJSBALGLRRPC-CJNGLKHVSA-N 0 3 306.431 1.723 40 0 DDABHN O=C(c1cscn1)N1CCC2(C1)CCN([C@H]1CCOC1)CC2 ZINC000096157486 407241784 /nfs/dbraw/zinc/24/17/84/407241784.db2.gz UVDALFBDHYKDLK-ZDUSSCGKSA-N 0 3 321.446 1.860 40 0 DDABHN COc1cc(N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)ncn1 ZINC000096161581 407242061 /nfs/dbraw/zinc/24/20/61/407242061.db2.gz JSBHWTSVEGKVBI-OKILXGFUSA-N 0 3 311.389 1.448 40 0 DDABHN CN(C)C[C@@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 ZINC000248149010 408540680 /nfs/dbraw/zinc/54/06/80/408540680.db2.gz WTYKVWBKKXMSBP-CYBMUJFWSA-N 0 3 315.377 1.507 40 0 DDABHN CN(C)CCNc1nc(NCc2ccccn2)cc(C2CC2)n1 ZINC000329070183 410086231 /nfs/dbraw/zinc/08/62/31/410086231.db2.gz ZELMCVQYEMADID-UHFFFAOYSA-N 0 3 312.421 1.178 40 0 DDABHN COc1ccc(F)c(CN2CCc3nc(C)[nH]c(=O)c3CC2)c1 ZINC000019286422 274112641 /nfs/dbraw/zinc/11/26/41/274112641.db2.gz MCGWLHSHGMZDQT-UHFFFAOYSA-N 0 3 317.364 1.827 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC000096062304 277226343 /nfs/dbraw/zinc/22/63/43/277226343.db2.gz VQBNOEZESWHJHL-KRWDZBQOSA-N 0 3 323.437 1.462 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000079410007 280272585 /nfs/dbraw/zinc/27/25/85/280272585.db2.gz VOYHZWJTSDQRTP-OLZOCXBDSA-N 0 3 313.442 1.733 40 0 DDABHN COc1ccc(CN2CCOC[C@@]3(CC(=O)N(C)C3)C2)cc1 ZINC000585104529 354807608 /nfs/dbraw/zinc/80/76/08/354807608.db2.gz PAXUWYYUFDJBGR-QGZVFWFLSA-N 0 3 304.390 1.376 40 0 DDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccc(O)c2)N1 ZINC000022239108 283409818 /nfs/dbraw/zinc/40/98/18/283409818.db2.gz LGUXYPOTDVEXPQ-CYBMUJFWSA-N 0 3 307.313 1.389 40 0 DDABHN C[C@@H](CN(C)C)Nc1nc(Cc2ccccc2F)cc(=O)[nH]1 ZINC000019455945 182123736 /nfs/dbraw/zinc/12/37/36/182123736.db2.gz WUTIREDPPVMDDE-NSHDSACASA-N 0 3 304.369 1.862 40 0 DDABHN CCN(C[C@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409714 285082794 /nfs/dbraw/zinc/08/27/94/285082794.db2.gz JAGWFNUTVXPUTA-QWHCGFSZSA-N 0 3 313.442 1.972 40 0 DDABHN c1nc2c([nH]1)[C@H](c1ccc([C@@H]3NCCc4nc[nH]c43)cc1)NCC2 ZINC000001730854 406677861 /nfs/dbraw/zinc/67/78/61/406677861.db2.gz YMRZRVBWYWHBST-HOTGVXAUSA-N 0 3 320.400 1.603 40 0 DDABHN Cc1ccc(N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)nn1 ZINC000096223874 407253071 /nfs/dbraw/zinc/25/30/71/407253071.db2.gz QKMNYZFUNQBLIN-KRWDZBQOSA-N 0 3 317.437 1.166 40 0 DDABHN COCCN1CC[C@@H](NC(=O)[C@H]2C[C@H]2c2ccccc2C)C1 ZINC000096419275 407263068 /nfs/dbraw/zinc/26/30/68/407263068.db2.gz KACHNQXAZBXJQJ-PVAVHDDUSA-N 0 3 302.418 1.935 40 0 DDABHN Cn1cnc2c1[C@H](COCC1CC1)CN(CCN1CCCC1)C2 ZINC000096044938 407226666 /nfs/dbraw/zinc/22/66/66/407226666.db2.gz NIHGXXZNRPHYFS-INIZCTEOSA-N 0 3 318.465 1.842 40 0 DDABHN COCCN1CCC2(CC1)CN(C(=O)c1ccccc1)CCO2 ZINC000096158913 407241639 /nfs/dbraw/zinc/24/16/39/407241639.db2.gz ZLPFEFFWNCNOOX-UHFFFAOYSA-N 0 3 318.417 1.640 40 0 DDABHN c1nc2n(c1CN1CCCC1)CCN(C[C@H]1CCOC1)CC2 ZINC000096196871 407247031 /nfs/dbraw/zinc/24/70/31/407247031.db2.gz MMPSOXVHPKLLMZ-OAHLLOKOSA-N 0 3 304.438 1.374 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(C(=O)Cc1cccc(F)c1)C2 ZINC000096201924 407248188 /nfs/dbraw/zinc/24/81/88/407248188.db2.gz YYRVZWFNAUHELQ-KRWDZBQOSA-N 0 3 306.381 1.549 40 0 DDABHN CNCC(=O)N1CCOC[C@@H](Cc2ccc3c(ccn3C)c2)C1 ZINC000257209845 407496424 /nfs/dbraw/zinc/49/64/24/407496424.db2.gz BSCVSZZEQHYMDJ-HNNXBMFYSA-N 0 3 315.417 1.415 40 0 DDABHN c1cc2n(n1)[C@H](CN1CCCCC1)CN(C1CCOCC1)C2 ZINC000253603672 407462337 /nfs/dbraw/zinc/46/23/37/407462337.db2.gz JDNJOYCKWBKORW-QGZVFWFLSA-N 0 3 304.438 1.905 40 0 DDABHN COCC(=O)NC[C@@H]1CO[C@@H]2CN(Cc3sccc3C)C[C@H]12 ZINC000253599347 407462351 /nfs/dbraw/zinc/46/23/51/407462351.db2.gz OGBWSWBYTRLDAS-MGPQQGTHSA-N 0 3 324.446 1.266 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)COC ZINC000218537833 407521270 /nfs/dbraw/zinc/52/12/70/407521270.db2.gz CDXPMXLRYGCAKL-MELADBBJSA-N 0 3 301.383 1.318 40 0 DDABHN CCCCc1ncc(CN2CC[C@H](O)[C@@H](NC(C)=O)CC2)[nH]1 ZINC000257271327 407530796 /nfs/dbraw/zinc/53/07/96/407530796.db2.gz MXVRTNGMBHGXJU-GJZGRUSLSA-N 0 3 308.426 1.214 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccncc1 ZINC000247941384 408517555 /nfs/dbraw/zinc/51/75/55/408517555.db2.gz ACAYDEMXNRJPKB-BZSNNMDCSA-N 0 3 319.449 1.639 40 0 DDABHN CCN(CC)c1ncnc2c1CCN(C1CCOCC1)CC2 ZINC000096255823 276341569 /nfs/dbraw/zinc/34/15/69/276341569.db2.gz ALVPAXMVBSZWQS-UHFFFAOYSA-N 0 3 304.438 1.902 40 0 DDABHN CN1C[C@@H]2CN(C(=O)COc3ccccc3)CCN2C(C)(C)C1 ZINC000253396894 277196353 /nfs/dbraw/zinc/19/63/53/277196353.db2.gz FDMFBKLTCDDTHV-OAHLLOKOSA-N 0 3 317.433 1.302 40 0 biogenic,in-vitro DDABHN Cc1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)nc(N)n1 ZINC000257215058 280326540 /nfs/dbraw/zinc/32/65/40/280326540.db2.gz COMCXSPGOZFGBM-BBRMVZONSA-N 0 3 303.410 1.456 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)N(C)C)CC2 ZINC000096071928 289151951 /nfs/dbraw/zinc/15/19/51/289151951.db2.gz JNQNHTBDSMGGDX-MRXNPFEDSA-N 0 3 310.442 1.077 40 0 DDABHN NC[C@@]1(CO)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035936 484146398 /nfs/dbraw/zinc/14/63/98/484146398.db2.gz IFEBLMVDUZKFJD-IXDOHACOSA-N 0 3 317.410 1.564 40 0 DDABHN CCN(C[C@@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 ZINC000079411031 185170165 /nfs/dbraw/zinc/17/01/65/185170165.db2.gz KLOBPMMLGDSXKQ-MRXNPFEDSA-N 0 3 306.406 1.959 40 0 DDABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCN(CCO)C2)n1 ZINC000072360133 191130209 /nfs/dbraw/zinc/13/02/09/191130209.db2.gz MCUTUVLPTJCDIC-CYBMUJFWSA-N 0 3 314.393 1.490 40 0 DDABHN Cc1nn(C)c(C)c1NCCNC[C@H](O)COc1ccccc1 ZINC000003630864 181042756 /nfs/dbraw/zinc/04/27/56/181042756.db2.gz CRKZWPJRHFAGCJ-HNNXBMFYSA-N 0 3 318.421 1.478 40 0 in-man DDABHN Cc1cc(NC2=NCCCCC2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000256029996 354388082 /nfs/dbraw/zinc/38/80/82/354388082.db2.gz HKGBFILTVMLBAZ-LBPRGKRZSA-N 0 3 310.423 1.936 40 0 DDABHN O=C1C[C@H](NCCc2c[nH]cn2)C(=O)N1c1cccc(Cl)c1 ZINC000017054810 182072802 /nfs/dbraw/zinc/07/28/02/182072802.db2.gz BSGOUTAVSXUANY-ZDUSSCGKSA-N 0 3 318.764 1.527 40 0 DDABHN CCN(CC)CCN[C@H]1OC(=O)c2c1ccc(OC)c2OC ZINC000020227223 182199419 /nfs/dbraw/zinc/19/94/19/182199419.db2.gz KUFCRLQGMDIKNO-HNNXBMFYSA-N 0 3 308.378 1.804 40 0 DDABHN CCOC[C@@H]1CN(CCN2CCCCC2)Cc2cnn(C)c21 ZINC000096044714 286153196 /nfs/dbraw/zinc/15/31/96/286153196.db2.gz YBWASGZZUDAHDT-INIZCTEOSA-N 0 3 306.454 1.842 40 0 DDABHN COc1cc(C(=O)C(CN(C)C)CN(C)C)cc(OC)c1OC ZINC000001580708 406672781 /nfs/dbraw/zinc/67/27/81/406672781.db2.gz FYMWYWNZHRZDCD-UHFFFAOYSA-N 0 3 324.421 1.635 40 0 DDABHN CC(C)(N)C(=O)N1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012219810 406839159 /nfs/dbraw/zinc/83/91/59/406839159.db2.gz QYGPTHHASUYTBV-UHFFFAOYSA-N 0 3 316.405 1.127 40 0 DDABHN O=CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000010284845 406820407 /nfs/dbraw/zinc/82/04/07/406820407.db2.gz FZKBCZNYXHIQMT-UHFFFAOYSA-N 0 3 315.417 1.587 40 0 DDABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@@H]1CCCO1)OCCO3 ZINC000013999156 406870487 /nfs/dbraw/zinc/87/04/87/406870487.db2.gz VESAJBHRNKTUJY-ZDUSSCGKSA-N 0 3 316.357 1.568 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3F)C[C@H]21 ZINC000096043329 407226525 /nfs/dbraw/zinc/22/65/25/407226525.db2.gz VYTQFGBTLPSURW-IJEWVQPXSA-N 0 3 306.381 1.799 40 0 DDABHN CC(C)N1CCOC[C@]2(CN(Cc3ccccn3)CCO2)C1 ZINC000096049733 407228568 /nfs/dbraw/zinc/22/85/68/407228568.db2.gz QIBDBACFVRQNPX-KRWDZBQOSA-N 0 3 305.422 1.393 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccncc1 ZINC000096055222 407230043 /nfs/dbraw/zinc/23/00/43/407230043.db2.gz ACAYDEMXNRJPKB-OKZBNKHCSA-N 0 3 319.449 1.639 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccncc4)C[C@H]32)n1 ZINC000096057256 407230584 /nfs/dbraw/zinc/23/05/84/407230584.db2.gz YYFLNFWYWQBJBT-OAGGEKHMSA-N 0 3 314.389 1.710 40 0 DDABHN COCCN1CCC2(CC1)[C@H](c1ccncc1)CC(=O)N2C ZINC000096069797 407234250 /nfs/dbraw/zinc/23/42/50/407234250.db2.gz YJFLQKSYCLIBJN-HNNXBMFYSA-N 0 3 303.406 1.508 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@@H]2OC ZINC000096109404 407237949 /nfs/dbraw/zinc/23/79/49/407237949.db2.gz FFNMTCLHABECBU-BBWFWOEESA-N 0 3 318.417 1.876 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCCCn2ccnc2)c1 ZINC000257232260 407507533 /nfs/dbraw/zinc/50/75/33/407507533.db2.gz GKANBAKBPMMDNX-UHFFFAOYSA-N 0 3 324.388 1.348 40 0 DDABHN COc1ccc([C@H]2CNCCN2CC(=O)N2CCCC2)cc1 ZINC000257258315 407523177 /nfs/dbraw/zinc/52/31/77/407523177.db2.gz KTHWPMOIRYPIET-MRXNPFEDSA-N 0 3 303.406 1.264 40 0 DDABHN CN1CCC[C@@H]1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257264145 407527166 /nfs/dbraw/zinc/52/71/66/407527166.db2.gz LTCIPKSHZSBBLT-OAHLLOKOSA-N 0 3 313.405 1.530 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000242648578 222212703 /nfs/dbraw/zinc/21/27/03/222212703.db2.gz RBNRXKZRLCSYSL-HAQNSBGRSA-N 0 3 311.426 1.772 40 0 DDABHN CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000242495347 222213737 /nfs/dbraw/zinc/21/37/37/222213737.db2.gz GCIKTBMECLKGJG-SHTZXODSSA-N 0 3 319.405 1.641 40 0 DDABHN COCC1=CCNC(SCCN2CCOCC2)=NC/C=C/1 ZINC000936068997 715147451 /nfs/dbraw/zinc/14/74/51/715147451.db2.gz YSYVXUNAUNNUCT-ZCUOJBLGSA-N 0 3 311.451 1.140 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412700 185170189 /nfs/dbraw/zinc/17/01/89/185170189.db2.gz NNWRFSQGMWKXDY-DZGCQCFKSA-N 0 3 319.405 1.499 40 0 DDABHN CC(C)[C@H](N)C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391387 185168245 /nfs/dbraw/zinc/16/82/45/185168245.db2.gz CBQJNXVEIVTOCM-ZDUSSCGKSA-N 0 3 313.442 1.733 40 0 DDABHN CN1CCO[C@@H]2CN(S(=O)(=O)c3cccs3)CC[C@@H]2C1 ZINC000096249552 283015666 /nfs/dbraw/zinc/01/56/66/283015666.db2.gz VKWWPXVECTVGHP-VXGBXAGGSA-N 0 3 316.448 1.089 40 0 DDABHN Cc1cc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)no1 ZINC000257286590 203014512 /nfs/dbraw/zinc/01/45/12/203014512.db2.gz PMDXEJOXQPWCOV-CQSZACIVSA-N 0 3 302.334 1.482 40 0 DDABHN CCOc1ccc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)cc1CO ZINC000257329785 203052177 /nfs/dbraw/zinc/05/21/77/203052177.db2.gz XLNOVUKCNGHIDE-ROUUACIJSA-N 0 3 321.417 1.693 40 0 DDABHN CNc1cncc([C@H]2CCCN2C(=O)C2(C)CCN(C)CC2)n1 ZINC000257315996 203040001 /nfs/dbraw/zinc/04/00/01/203040001.db2.gz VDRBMAJEKGZARR-CQSZACIVSA-N 0 3 317.437 1.914 40 0 DDABHN CN1CCC[C@@H](NC(=O)c2ccccc2-n2cnc(CN)c2)C1 ZINC000257319272 203043171 /nfs/dbraw/zinc/04/31/71/203043171.db2.gz VRPYWDXRJRMEOJ-CYBMUJFWSA-N 0 3 313.405 1.155 40 0 DDABHN CNc1cc(CN(C)C(=O)C(C)(C)OC)nc([C@H]2CCCN2)n1 ZINC000019760010 182144430 /nfs/dbraw/zinc/14/44/30/182144430.db2.gz OGLWLUJYNZCEKT-GFCCVEGCSA-N 0 3 321.425 1.326 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3scnc3C)C[C@@H]21 ZINC000096043467 256554334 /nfs/dbraw/zinc/55/43/34/256554334.db2.gz IZBZASIUIJIVHJ-JHJVBQTASA-N 0 3 309.435 1.425 40 0 DDABHN CCN1CC2(CCN(Cc3ccco3)CC2)[C@@H](COC)C1=O ZINC000096208383 407251336 /nfs/dbraw/zinc/25/13/36/407251336.db2.gz YFETYNBHTOWDAS-HNNXBMFYSA-N 0 3 306.406 1.987 40 0 DDABHN c1ccc(OC[C@@H]2C[C@H]3OCCN(C[C@@H]4CCOC4)[C@@H]3C2)nc1 ZINC000096250612 407256049 /nfs/dbraw/zinc/25/60/49/407256049.db2.gz WJPYGEFZEDYKRP-MWDXBVQZSA-N 0 3 318.417 1.976 40 0 DDABHN CN(C)CCOC[C@]12CCCO[C@H]1CCN(C(=O)N(C)C)C2 ZINC000096039573 407225417 /nfs/dbraw/zinc/22/54/17/407225417.db2.gz LQJJNWGUIVIVGB-GOEBONIOSA-N 0 3 313.442 1.117 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053942 407229731 /nfs/dbraw/zinc/22/97/31/407229731.db2.gz LXZGKSGNLGWZAP-CHWSQXEVSA-N 0 3 314.414 1.742 40 0 DDABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccccn3)CC[C@H]12)C1CC1 ZINC000096057590 407230659 /nfs/dbraw/zinc/23/06/59/407230659.db2.gz ZGMJJZSINYDSNN-XIRDDKMYSA-N 0 3 315.417 1.445 40 0 DDABHN CC(C)N(C)Cc1nnc2n1CCN(Cc1ccncc1)CC2 ZINC000096058957 407231999 /nfs/dbraw/zinc/23/19/99/407231999.db2.gz WHKDPIZDVLMLHR-UHFFFAOYSA-N 0 3 314.437 1.572 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1ccc(C)o1)C2 ZINC000096062301 407232483 /nfs/dbraw/zinc/23/24/83/407232483.db2.gz HJMMONFYOGBKGD-QGZVFWFLSA-N 0 3 308.422 1.759 40 0 DDABHN O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 ZINC000096066276 407234124 /nfs/dbraw/zinc/23/41/24/407234124.db2.gz JUJAOAOJNVWUPM-BBWFWOEESA-N 0 3 322.449 1.419 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1)CC[C@@H]2OC ZINC000096109399 407237758 /nfs/dbraw/zinc/23/77/58/407237758.db2.gz XOYWVNVPSKPZDI-XHSDSOJGSA-N 0 3 324.446 1.416 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1cccs1)CC[C@@H]2OC ZINC000096109401 407238123 /nfs/dbraw/zinc/23/81/23/407238123.db2.gz LLPFTHCMRRNDSS-ZNMIVQPWSA-N 0 3 308.447 1.858 40 0 DDABHN COCCO[C@@H]1C[C@H]2CN(Cc3cccc(C)n3)CCN2C1 ZINC000096183185 407243907 /nfs/dbraw/zinc/24/39/07/407243907.db2.gz VTKWSVTXFHCSGW-DLBZAZTESA-N 0 3 305.422 1.312 40 0 DDABHN CN(C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 ZINC000096183646 407244201 /nfs/dbraw/zinc/24/42/01/407244201.db2.gz NYLOFVVGSYTSCO-SOUVJXGZSA-N 0 3 323.462 1.158 40 0 DDABHN Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)no1 ZINC000096200912 407248598 /nfs/dbraw/zinc/24/85/98/407248598.db2.gz VWANFTZNOAPGSQ-CABCVRRESA-N 0 3 317.393 1.104 40 0 DDABHN COCCNC(=O)C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1 ZINC000096207765 407249407 /nfs/dbraw/zinc/24/94/07/407249407.db2.gz LZYHHXKSEWXHJI-SOUVJXGZSA-N 0 3 324.446 1.490 40 0 DDABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N(C)C ZINC000257210156 407496728 /nfs/dbraw/zinc/49/67/28/407496728.db2.gz BTKZILKZKCXVIJ-WCVJEAGWSA-N 0 3 306.406 1.270 40 0 DDABHN CC(C)(C)OC(=O)N1CCNC[C@@H](COc2ncccn2)C1 ZINC000257219781 407501457 /nfs/dbraw/zinc/50/14/57/407501457.db2.gz DICJHWADWLOAEY-GFCCVEGCSA-N 0 3 308.382 1.312 40 0 DDABHN COC[C@H]1CCN(C)C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248093892 408535098 /nfs/dbraw/zinc/53/50/98/408535098.db2.gz CSALAQSYBVTRDT-HNNXBMFYSA-N 0 3 318.417 1.958 40 0 DDABHN Cc1ccsc1CN1C[C@H]2OC[C@@H](CNC(=O)N(C)C)[C@H]2C1 ZINC000306137598 534471107 /nfs/dbraw/zinc/47/11/07/534471107.db2.gz RAWTUAOFOSHJEU-MGPQQGTHSA-N 0 3 323.462 1.775 40 0 DDABHN CN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CN)CC1 ZINC000079412352 185170276 /nfs/dbraw/zinc/17/02/76/185170276.db2.gz YPMCPCGCEKYSIB-UHFFFAOYSA-N 0 3 319.405 1.641 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079412366 185170447 /nfs/dbraw/zinc/17/04/47/185170447.db2.gz WNHRAPQWAZFSSP-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN C[C@H](N)C(=O)N(C1CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391340 185168011 /nfs/dbraw/zinc/16/80/11/185168011.db2.gz DIGWOMVPCPXZDF-AAEUAGOBSA-N 0 3 311.426 1.724 40 0 DDABHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393063 185168941 /nfs/dbraw/zinc/16/89/41/185168941.db2.gz YCCBAQBDDAFRQG-NWANDNLSSA-N 0 3 319.405 1.687 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)c3ccnc(F)c3)CC[C@@H]2C1 ZINC000585107970 354808751 /nfs/dbraw/zinc/80/87/51/354808751.db2.gz ODDHQTFNNSZJCQ-ZIAGYGMSSA-N 0 3 307.369 1.404 40 0 DDABHN CN(Cc1cccc(C(F)(F)F)c1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O ZINC000585280209 354823278 /nfs/dbraw/zinc/82/32/78/354823278.db2.gz COFPACMGKISEMK-UPJWGTAASA-N 0 3 316.323 1.762 40 0 DDABHN Cc1oc2c(c1C(=O)N1CC[C@@](O)(CN(C)C)C1)CCCC2 ZINC000257281866 203009589 /nfs/dbraw/zinc/00/95/89/203009589.db2.gz ORHCOZWOQLXVGJ-QGZVFWFLSA-N 0 3 306.406 1.605 40 0 DDABHN CC(C)(C)OC(=O)N1CCCC[C@H]1c1nnc2n1CCNCC2 ZINC000257294711 203018307 /nfs/dbraw/zinc/01/83/07/203018307.db2.gz QVIXXYNUVUXDNL-LBPRGKRZSA-N 0 3 321.425 1.886 40 0 DDABHN NCC1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000218035763 257131850 /nfs/dbraw/zinc/13/18/50/257131850.db2.gz BFJXUQYNYILNKN-HZPDHXFCSA-N 0 3 316.426 1.530 40 0 DDABHN Cn1cc(Br)c(C(=O)NC2CCN(C)CC2)n1 ZINC000002776860 406698588 /nfs/dbraw/zinc/69/85/88/406698588.db2.gz APEAIWOFNVYVQU-UHFFFAOYSA-N 0 3 301.188 1.007 40 0 DDABHN c1ccc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)nc1 ZINC000096056253 407229906 /nfs/dbraw/zinc/22/99/06/407229906.db2.gz QAPOAVHMAXIEDG-RYQLBKOJSA-N 0 3 317.433 1.251 40 0 DDABHN CN(C)CCOC[C@H]1CN(Cc2ccco2)Cc2nnn(C)c21 ZINC000096060652 407231646 /nfs/dbraw/zinc/23/16/46/407231646.db2.gz BUCYETWIBXKPGI-CYBMUJFWSA-N 0 3 319.409 1.086 40 0 DDABHN O=C(C1CC(F)(F)C1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107991 407238078 /nfs/dbraw/zinc/23/80/78/407238078.db2.gz LBNXRYVTPSGZKS-UONOGXRCSA-N 0 3 314.376 1.601 40 0 DDABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3cnccn3)C[C@@H]2C1 ZINC000096182291 407243707 /nfs/dbraw/zinc/24/37/07/407243707.db2.gz GYPNRKUFAYZLDN-OKILXGFUSA-N 0 3 311.389 1.019 40 0 DDABHN CN(C)C(=O)NC[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12 ZINC000096185272 407244668 /nfs/dbraw/zinc/24/46/68/407244668.db2.gz YEJXMKADUSKNKZ-KFWWJZLASA-N 0 3 307.394 1.388 40 0 DDABHN CN1CCC(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)CC1 ZINC000257208544 407494156 /nfs/dbraw/zinc/49/41/56/407494156.db2.gz BMPFXLYYEGXHOS-QGZVFWFLSA-N 0 3 301.434 1.844 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2cccc(OC(C)C)c2)CC[C@@H]1O ZINC000257250117 407517038 /nfs/dbraw/zinc/51/70/38/407517038.db2.gz JLCFXBMSNICXSI-ROUUACIJSA-N 0 3 320.433 1.935 40 0 DDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252587287 222246770 /nfs/dbraw/zinc/24/67/70/222246770.db2.gz XAEXRVSTRUUJFZ-QEJZJMRPSA-N 0 3 319.405 1.687 40 0 DDABHN CN(C[C@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412286 185170114 /nfs/dbraw/zinc/17/01/14/185170114.db2.gz HVLQHUDSRJMXLM-CQSZACIVSA-N 0 3 305.378 1.062 40 0 DDABHN CC(C)N(Cc1ccc(Br)nc1)C(=O)[C@H](C)N ZINC000079421591 185170713 /nfs/dbraw/zinc/17/07/13/185170713.db2.gz JAGIDJOIJPJFIR-VIFPVBQESA-N 0 3 300.200 1.928 40 0 DDABHN CN(C)CCNC(=O)[C@H]1CCc2[nH]nc(-c3ccsc3)c2C1 ZINC000306123210 231084320 /nfs/dbraw/zinc/08/43/20/231084320.db2.gz AHIDTWVKAPMLFY-NSHDSACASA-N 0 3 318.446 1.921 40 0 DDABHN CN1C[C@@H]2COCCN2C2(CN(Cc3ccccc3F)C2)C1 ZINC000604381637 359744897 /nfs/dbraw/zinc/74/48/97/359744897.db2.gz IMHMTODMLJJACO-OAHLLOKOSA-N 0 3 305.397 1.026 40 0 biogenic,in-vitro DDABHN Cc1nc(N)cc([C@H]2CCCN2C(=O)CN(C)C2CCCC2)n1 ZINC000257217381 202951802 /nfs/dbraw/zinc/95/18/02/202951802.db2.gz CYRZTYCTJKFPQM-OAHLLOKOSA-N 0 3 317.437 1.905 40 0 DDABHN O[C@@H]1[C@H](NCc2cccnc2)CC[C@@H](Oc2ccccc2)[C@H]1O ZINC000257273738 203002602 /nfs/dbraw/zinc/00/26/02/203002602.db2.gz NHZVHUVAOJSCID-BRSBDYLESA-N 0 3 314.385 1.503 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cnco3)CCO2)n1 ZINC000257316610 203041662 /nfs/dbraw/zinc/04/16/62/203041662.db2.gz VGHBBIDOUYRPLK-OAHLLOKOSA-N 0 3 316.361 1.658 40 0 DDABHN CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CN ZINC000257323785 203047095 /nfs/dbraw/zinc/04/70/95/203047095.db2.gz WLVGQMBHRJXPNS-BQFCYCMXSA-N 0 3 315.417 1.341 40 0 DDABHN O=c1[n-]c(C2CC[NH2+]CC2)nc2c1CCN(Cc1ccccc1)C2 ZINC000019372388 182120806 /nfs/dbraw/zinc/12/08/06/182120806.db2.gz AQLHNRRTGXMOIW-UHFFFAOYSA-N 0 3 324.428 1.795 40 0 DDABHN CCN1CCN(CCCOc2c(C=O)cccc2OC)CC1 ZINC000019798144 182151164 /nfs/dbraw/zinc/15/11/64/182151164.db2.gz DSEORWRFIKHGNF-UHFFFAOYSA-N 0 3 306.406 1.914 40 0 DDABHN NC[C@]1(N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252517076 257106058 /nfs/dbraw/zinc/10/60/58/257106058.db2.gz ZIAHXLVQMCPXBT-XHSDSOJGSA-N 0 3 302.399 1.283 40 0 DDABHN CCCN1CC[C@@](C)(O)[C@@H](NC(=O)COC)[C@@H]1c1ccccc1 ZINC000514288768 257216160 /nfs/dbraw/zinc/21/61/60/257216160.db2.gz BNHMVJZPTSLRSI-OKZBNKHCSA-N 0 3 320.433 1.726 40 0 biogenic,in-vitro DDABHN NC[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222539079 407559165 /nfs/dbraw/zinc/55/91/65/407559165.db2.gz FXTCCBHGBFOGST-NSHDSACASA-N 0 3 308.325 1.568 40 0 DDABHN CC(C)C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000001570243 406672442 /nfs/dbraw/zinc/67/24/42/406672442.db2.gz FVNPLMZSNACTDL-UKRRQHHQSA-N 0 3 316.405 1.054 40 0 DDABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN(CCO)CCO ZINC000002694469 406695670 /nfs/dbraw/zinc/69/56/70/406695670.db2.gz BWBYPUBKWIJSCS-LSDHHAIUSA-N 0 3 311.422 1.226 40 0 DDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(C(=O)N3CCCO3)C2)n1 ZINC000096217739 407251590 /nfs/dbraw/zinc/25/15/90/407251590.db2.gz QHXBZSDTVYJLNK-RHSMWYFYSA-N 0 3 317.389 1.002 40 0 DDABHN Cn1ccnc1CN1CC[C@H]2OCCN(CC3CC3)[C@@H]2CC1 ZINC000096249310 407256041 /nfs/dbraw/zinc/25/60/41/407256041.db2.gz FKIFHMHNOSPOFO-HZPDHXFCSA-N 0 3 304.438 1.495 40 0 DDABHN CC(=O)c1ccc(NC(=O)C2=NO[C@]3(C2)CCCNC3)cc1 ZINC000096088492 407235851 /nfs/dbraw/zinc/23/58/51/407235851.db2.gz ZOJWKXDQUQUDHU-INIZCTEOSA-N 0 3 301.346 1.726 40 0 DDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C3CC3)C2)c1 ZINC000096108415 407237377 /nfs/dbraw/zinc/23/73/77/407237377.db2.gz KDDSDVWSIKQIBL-MJGOQNOKSA-N 0 3 314.429 1.970 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@@H]2OC ZINC000096111060 407238486 /nfs/dbraw/zinc/23/84/86/407238486.db2.gz ZBFGLHZHHUEPLY-BBWFWOEESA-N 0 3 318.417 1.494 40 0 DDABHN CC(C)N(C)Cc1cnc2n1CCN(Cc1cnn(C)c1)C2 ZINC000096201054 407248589 /nfs/dbraw/zinc/24/85/89/407248589.db2.gz YEEMOKNWSULNSI-UHFFFAOYSA-N 0 3 302.426 1.473 40 0 DDABHN CCc1nccn1CCC(=O)N1CC[C@H](c2[nH]ncc2C)C1 ZINC000257244792 407515089 /nfs/dbraw/zinc/51/50/89/407515089.db2.gz IMTODYDYTJZSFK-ZDUSSCGKSA-N 0 3 301.394 1.883 40 0 DDABHN COCCN1CCC(c2cnc(N3C[C@@H](C)OC3=O)cn2)CC1 ZINC000257253924 407521521 /nfs/dbraw/zinc/52/15/21/407521521.db2.gz KAWPVHCYTJKFHH-GFCCVEGCSA-N 0 3 320.393 1.648 40 0 DDABHN CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257260801 407522949 /nfs/dbraw/zinc/52/29/49/407522949.db2.gz LEKZUMNFEXQLLH-BDXSIMOUSA-N 0 3 318.417 1.558 40 0 DDABHN NC[C@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218629740 340497027 /nfs/dbraw/zinc/49/70/27/340497027.db2.gz QRJAPCLRNUHVBA-JYJNAYRXSA-N 0 3 320.389 1.422 40 0 DDABHN CN(C[C@@H]1CCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412277 185169800 /nfs/dbraw/zinc/16/98/00/185169800.db2.gz HVLQHUDSRJMXLM-AWEZNQCLSA-N 0 3 305.378 1.062 40 0 DDABHN CN(Cc1ccccc1I)C(=O)CN ZINC000079420818 185170899 /nfs/dbraw/zinc/17/08/99/185170899.db2.gz UHZFXIQXVXNEHB-UHFFFAOYSA-N 0 3 304.131 1.208 40 0 DDABHN Cn1cc(CN2C[C@@H]3c4ncc(-c5cccnc5)n4C[C@@H]3C2)cn1 ZINC000306129628 231086634 /nfs/dbraw/zinc/08/66/34/231086634.db2.gz IIOCTURXICWQCJ-HOTGVXAUSA-N 0 3 320.400 1.908 40 0 DDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2nccnc2N(C)C)C1 ZINC000257273560 203001526 /nfs/dbraw/zinc/00/15/26/203001526.db2.gz NHCXAMPVXSAOSO-CYBMUJFWSA-N 0 3 302.382 1.148 40 0 DDABHN C[C@]12CCN(CCO)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257338574 203059843 /nfs/dbraw/zinc/05/98/43/203059843.db2.gz YYAOIZMUNMMUTJ-RDJZCZTQSA-N 0 3 306.381 1.773 40 0 DDABHN c1csc(N2CCOCC3(CCN([C@H]4CCOC4)CC3)C2)n1 ZINC000096240021 193595920 /nfs/dbraw/zinc/59/59/20/193595920.db2.gz WLMDXXCSSBWCOR-AWEZNQCLSA-N 0 3 323.462 1.851 40 0 DDABHN O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2CNC[C@H]21 ZINC000306142672 285074672 /nfs/dbraw/zinc/07/46/72/285074672.db2.gz XGEWIVPMUNXCEE-GXTWGEPZSA-N 0 3 304.346 1.730 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)C1(CN)CN ZINC000218373684 257130465 /nfs/dbraw/zinc/13/04/65/257130465.db2.gz YLZCHGYBXIGPRL-NEPJUHHUSA-N 0 3 302.827 1.144 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218073071 257131296 /nfs/dbraw/zinc/13/12/96/257131296.db2.gz QWCVETLFDNNJIP-QLFBSQMISA-N 0 3 313.419 1.187 40 0 DDABHN CCS(=O)(=O)[C@H]1CC[C@](CN)(NC(=O)OC(C)(C)C)C1 ZINC000217948342 257131788 /nfs/dbraw/zinc/13/17/88/257131788.db2.gz DHSJUDWNALRYAX-GWCFXTLKSA-N 0 3 306.428 1.196 40 0 DDABHN CC(C)CN1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCCC3)C2)C1 ZINC000514289147 257216143 /nfs/dbraw/zinc/21/61/43/257216143.db2.gz IQHCJGKEPUWVJS-IAGOWNOFSA-N 0 3 307.482 1.390 40 0 biogenic,in-vitro DDABHN CC(C)N(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079391122 407054345 /nfs/dbraw/zinc/05/43/45/407054345.db2.gz PHJOMBZUSXIMBD-ZDUSSCGKSA-N 0 3 313.442 1.829 40 0 DDABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCCC1)C2 ZINC000096038722 407224185 /nfs/dbraw/zinc/22/41/85/407224185.db2.gz GTBNTAQIAJCVKR-SJLPKXTDSA-N 0 3 322.449 1.516 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3C)C[C@H]21 ZINC000096043328 407226374 /nfs/dbraw/zinc/22/63/74/407226374.db2.gz YBKKUUFDANVBLK-IXDOHACOSA-N 0 3 302.418 1.968 40 0 DDABHN COc1cc(CN2C[C@@H]3[C@H](C2)CNC(=O)[C@@H]3C)cc(OC)c1 ZINC000096045709 407227363 /nfs/dbraw/zinc/22/73/63/407227363.db2.gz DGBRYUQALSSATG-FFSVYQOJSA-N 0 3 304.390 1.518 40 0 DDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccnnc3)C2)C1 ZINC000096049608 407227588 /nfs/dbraw/zinc/22/75/88/407227588.db2.gz VUMLVLBBPVNDGQ-INIZCTEOSA-N 0 3 304.394 1.051 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccoc4)C[C@H]32)n1 ZINC000096057246 407230413 /nfs/dbraw/zinc/23/04/13/407230413.db2.gz OIHYUEQGLGCJJQ-KFWWJZLASA-N 0 3 303.362 1.908 40 0 DDABHN Cn1cc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)cn1 ZINC000096063761 407232674 /nfs/dbraw/zinc/23/26/74/407232674.db2.gz ZMCUUIINDRBPEO-DOTOQJQBSA-N 0 3 313.405 1.153 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CN(C(=O)Cc3cccs3)CC[C@H]12 ZINC000096185256 407244735 /nfs/dbraw/zinc/24/47/35/407244735.db2.gz SJOOUZXEOMTWLJ-AEGPPILISA-N 0 3 308.447 1.716 40 0 DDABHN CN(C)[C@@H]1CN(Cc2ccc3c(c2)OCO3)[C@@H]2CCCO[C@H]12 ZINC000096185754 407244961 /nfs/dbraw/zinc/24/49/61/407244961.db2.gz ONUGKNJEAZSHSM-CPUCHLNUSA-N 0 3 304.390 1.709 40 0 DDABHN Cn1ccnc1CN1CCc2ncc(CN3CCCC3)n2CC1 ZINC000096196852 407246616 /nfs/dbraw/zinc/24/66/16/407246616.db2.gz OMVDZIFUGZALPL-UHFFFAOYSA-N 0 3 314.437 1.271 40 0 DDABHN COc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)c1 ZINC000108527283 407387752 /nfs/dbraw/zinc/38/77/52/407387752.db2.gz FITBNBLSXHSLDT-UHFFFAOYSA-N 0 3 324.446 1.599 40 0 DDABHN CC(C)N1CC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257287227 407533787 /nfs/dbraw/zinc/53/37/87/407533787.db2.gz PPBYCSGVRVVTKC-LBPRGKRZSA-N 0 3 301.394 1.629 40 0 DDABHN Fc1cnc(N2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC000097953437 332203325 /nfs/dbraw/zinc/20/33/25/332203325.db2.gz SNHBYZWRGQSABL-CFVMTHIKSA-N 0 3 306.385 1.695 40 0 DDABHN CN(C)CCNC(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 ZINC000306132843 231088675 /nfs/dbraw/zinc/08/86/75/231088675.db2.gz LUBWZJZQOQQEJU-AWEZNQCLSA-N 0 3 315.421 1.392 40 0 DDABHN O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CCCCC2)C1 ZINC000585282935 354823437 /nfs/dbraw/zinc/82/34/37/354823437.db2.gz JWYVSUDIKFBFHW-FUHWJXTLSA-N 0 3 318.417 1.110 40 0 DDABHN COCCN1CCC(c2cnc(N3C(=O)OC[C@H]3C)cn2)CC1 ZINC000257330312 203053641 /nfs/dbraw/zinc/05/36/41/203053641.db2.gz XNVYPCSIVOGDLQ-GFCCVEGCSA-N 0 3 320.393 1.648 40 0 DDABHN Cc1cc(N2CCN(C=O)CC2)ncc1[C@@H](N)c1ccccc1 ZINC000072223690 257123239 /nfs/dbraw/zinc/12/32/39/257123239.db2.gz FZRVPGTWQWZRMC-SFHVURJKSA-N 0 3 310.401 1.717 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218443170 257130414 /nfs/dbraw/zinc/13/04/14/257130414.db2.gz AHYIIUOXWGVNDO-OWCLPIDISA-N 0 3 311.447 1.877 40 0 DDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccc(O)c2)N1 ZINC000022239109 406890071 /nfs/dbraw/zinc/89/00/71/406890071.db2.gz LGUXYPOTDVEXPQ-ZDUSSCGKSA-N 0 3 307.313 1.389 40 0 DDABHN O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1cncnc1 ZINC000096239191 407254817 /nfs/dbraw/zinc/25/48/17/407254817.db2.gz DSXDTFSEWBBAQM-KRWDZBQOSA-N 0 3 309.373 1.501 40 0 DDABHN COCCN1CCC2(C[C@@H](c3cccnc3)C(=O)N2C)CC1 ZINC000096261165 407257790 /nfs/dbraw/zinc/25/77/90/407257790.db2.gz GMWLMCGCIJFIHC-HNNXBMFYSA-N 0 3 303.406 1.508 40 0 DDABHN O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1)N1CCCO1 ZINC000096057690 407231013 /nfs/dbraw/zinc/23/10/13/407231013.db2.gz BZHNFJWAUNPWCE-NWANDNLSSA-N 0 3 322.430 1.891 40 0 DDABHN CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 ZINC000096057532 407231261 /nfs/dbraw/zinc/23/12/61/407231261.db2.gz STBAUHFFDXPEAY-BZUAXINKSA-N 0 3 304.390 1.563 40 0 DDABHN COCCN1CC[C@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096062984 407233116 /nfs/dbraw/zinc/23/31/16/407233116.db2.gz NMOJRZDSVVZTDD-KRWDZBQOSA-N 0 3 303.406 1.656 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107980 407238022 /nfs/dbraw/zinc/23/80/22/407238022.db2.gz QNGVPFVAXNHWKB-FUHWJXTLSA-N 0 3 320.433 1.474 40 0 DDABHN Cn1cc(CNC[C@H]2COCc3nc4cc(F)ccc4n32)cn1 ZINC000096112734 407238624 /nfs/dbraw/zinc/23/86/24/407238624.db2.gz IMUQGHHEZGQXQU-ZDUSSCGKSA-N 0 3 315.352 1.770 40 0 biogenic,in-vitro DDABHN O=C([C@@H]1CCCO1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161644 407242070 /nfs/dbraw/zinc/24/20/70/407242070.db2.gz IWOIAHCCRGQRPY-LZWOXQAQSA-N 0 3 301.390 1.151 40 0 DDABHN O=C([C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1)N1CCOCC1 ZINC000096183629 407244631 /nfs/dbraw/zinc/24/46/31/407244631.db2.gz YZGIVGPUEANOFS-SOUVJXGZSA-N 0 3 322.430 1.339 40 0 DDABHN c1nc2n(c1CN1CCCC1)CCN(C1CCOCC1)CC2 ZINC000096196874 407246417 /nfs/dbraw/zinc/24/64/17/407246417.db2.gz BETHVQGSTJSOEA-UHFFFAOYSA-N 0 3 304.438 1.516 40 0 DDABHN c1nc2n(c1CN1CCCCC1)CCN([C@H]1CCOC1)CC2 ZINC000096196896 407247063 /nfs/dbraw/zinc/24/70/63/407247063.db2.gz GFRRFSDXJZUPQN-HNNXBMFYSA-N 0 3 304.438 1.516 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cccs2)[C@H]1Cc1cnn(C)c1 ZINC000096200915 407248217 /nfs/dbraw/zinc/24/82/17/407248217.db2.gz PBQBLVVGPGRHTJ-KGLIPLIRSA-N 0 3 318.446 1.869 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccccc2)[C@H]1Cc1cnn(C)c1 ZINC000096200914 407249077 /nfs/dbraw/zinc/24/90/77/407249077.db2.gz HBXLLUWJRSREEW-SJORKVTESA-N 0 3 312.417 1.808 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3ccccc3)C[C@@H]21 ZINC000107202264 407370399 /nfs/dbraw/zinc/37/03/99/407370399.db2.gz LDGKVCBORJFCCK-YESZJQIVSA-N 0 3 302.418 1.654 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(C)c1 ZINC000298114612 410120965 /nfs/dbraw/zinc/12/09/65/410120965.db2.gz QXPNBTGFDAAENA-HNNXBMFYSA-N 0 3 303.406 1.212 40 0 DDABHN NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218627048 340497055 /nfs/dbraw/zinc/49/70/55/340497055.db2.gz JIXOLIWQMNRVJR-JYJNAYRXSA-N 0 3 320.389 1.422 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079409871 185169686 /nfs/dbraw/zinc/16/96/86/185169686.db2.gz RAFYAKLMFRGTCO-AAEUAGOBSA-N 0 3 311.426 1.724 40 0 DDABHN Cc1ccc(CN2C[C@H]3OC[C@@H](CNC(=O)N(C)C)[C@H]3C2)s1 ZINC000306141404 231088923 /nfs/dbraw/zinc/08/89/23/231088923.db2.gz VUSCFSVLMLVXIZ-BPLDGKMQSA-N 0 3 323.462 1.775 40 0 DDABHN N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000138909960 354125129 /nfs/dbraw/zinc/12/51/29/354125129.db2.gz CQGQSLDQXDUVQF-GHMZBOCLSA-N 0 3 300.380 1.475 40 0 DDABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cnn(C)c1 ZINC000585291534 354826324 /nfs/dbraw/zinc/82/63/24/354826324.db2.gz PXEHYRWJTUDESW-WMLDXEAASA-N 0 3 320.437 1.458 40 0 DDABHN COc1cc(O)c2c(c1O)[C@]1(C)C(=O)CCC[C@@]1(O)CC2=O ZINC000005460228 181246454 /nfs/dbraw/zinc/24/64/54/181246454.db2.gz DIAIAAXIAGNHSL-JKSUJKDBSA-N 0 3 306.314 1.435 40 0 DDABHN CCOC(=O)[C@@H](C)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000195529841 201398948 /nfs/dbraw/zinc/39/89/48/201398948.db2.gz RHBZCJUYFHCDHW-SOUVJXGZSA-N 0 3 312.454 1.759 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000257278378 203006187 /nfs/dbraw/zinc/00/61/87/203006187.db2.gz OCAJBSHPPXDHRY-CYBMUJFWSA-N 0 3 311.389 1.876 40 0 DDABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218420132 257130481 /nfs/dbraw/zinc/13/04/81/257130481.db2.gz NVTZOBTVXRSMQW-RWMBFGLXSA-N 0 3 303.811 1.442 40 0 DDABHN CCN1CC2(C1)CN(CCc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289779 257215559 /nfs/dbraw/zinc/21/55/59/257215559.db2.gz OMSVSQQACZZIEK-QZTJIDSGSA-N 0 3 315.461 1.054 40 0 biogenic,in-vitro DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000006953129 406743527 /nfs/dbraw/zinc/74/35/27/406743527.db2.gz DWJAWCXTFSTYNO-CQSZACIVSA-N 0 3 303.406 1.842 40 0 DDABHN CN(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl ZINC000030757522 406934590 /nfs/dbraw/zinc/93/45/90/406934590.db2.gz IXUMJPHMQDOAOV-UHFFFAOYSA-N 0 3 319.814 1.003 40 0 DDABHN COc1ccc2cc(C(=O)N3CCOC[C@@H]3CN(C)C)[nH]c2c1 ZINC000085470271 407102066 /nfs/dbraw/zinc/10/20/66/407102066.db2.gz TZLNDOFUFYLAII-ZDUSSCGKSA-N 0 3 317.389 1.579 40 0 DDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(C(=O)N(C)C)C2 ZINC000096039572 407225069 /nfs/dbraw/zinc/22/50/69/407225069.db2.gz LQJJNWGUIVIVGB-HOCLYGCPSA-N 0 3 313.442 1.117 40 0 DDABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccnnc3)C2)C1 ZINC000096049607 407226893 /nfs/dbraw/zinc/22/68/93/407226893.db2.gz VUMLVLBBPVNDGQ-MRXNPFEDSA-N 0 3 304.394 1.051 40 0 DDABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccn1)C2 ZINC000096048706 407227636 /nfs/dbraw/zinc/22/76/36/407227636.db2.gz HKXZMQVZWSUZHU-SFHVURJKSA-N 0 3 323.400 1.891 40 0 DDABHN CC(C)N1CC[C@]2(C1)C[C@H](NS(=O)(=O)C1CC1)CCO2 ZINC000096107922 407237834 /nfs/dbraw/zinc/23/78/34/407237834.db2.gz FDPAPRAWXKAWQM-TZMCWYRMSA-N 0 3 302.440 1.100 40 0 DDABHN CNC(=O)CCc1cc([C@@H]2CCCN(CCOC)C2)nc(C)n1 ZINC000257245472 407516570 /nfs/dbraw/zinc/51/65/70/407516570.db2.gz IPQWSOKRNHDDFX-CQSZACIVSA-N 0 3 320.437 1.289 40 0 DDABHN CO[C@@H]1CCN(C(=O)c2cc(C)on2)[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC000108532443 277290934 /nfs/dbraw/zinc/29/09/34/277290934.db2.gz GWNSCMXWKAWVFE-NUEKZKHPSA-N 0 3 319.405 1.554 40 0 DDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)C3CCOCC3)CCO2)n1 ZINC000257310418 280539379 /nfs/dbraw/zinc/53/93/79/280539379.db2.gz UEZVKOYIJZDFGM-HNNXBMFYSA-N 0 3 305.378 1.299 40 0 DDABHN O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000097953327 332203329 /nfs/dbraw/zinc/20/33/29/332203329.db2.gz FOLUOEUDRWUIFS-NVXWUHKLSA-N 0 3 304.390 1.787 40 0 DDABHN CCN(CC)[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]2CCCO[C@H]12 ZINC000097953432 332203514 /nfs/dbraw/zinc/20/35/14/332203514.db2.gz WFRWAXLIHRJGLY-BBWFWOEESA-N 0 3 306.454 1.741 40 0 DDABHN CCN1C[C@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000097953426 332203536 /nfs/dbraw/zinc/20/35/36/332203536.db2.gz IGDQHYFRPTZAOC-BPLDGKMQSA-N 0 3 308.447 1.906 40 0 DDABHN Cn1nc(C2CN(CC3(O)CCCCC3)C2)c2nccnc21 ZINC000072366731 191137676 /nfs/dbraw/zinc/13/76/76/191137676.db2.gz WHTDGOGQQYINPM-UHFFFAOYSA-N 0 3 301.394 1.458 40 0 DDABHN O=C(C1CCSCC1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093987 354803679 /nfs/dbraw/zinc/80/36/79/354803679.db2.gz WJCDRSNDBKRIRU-CQSZACIVSA-N 0 3 324.490 1.435 40 0 DDABHN CCOC[C@H]1CCN(C)C2(CN(Cc3cc(C)nn3C)C2)C1 ZINC000585103092 354808141 /nfs/dbraw/zinc/80/81/41/354808141.db2.gz PVIQMFYLMAZZJI-HNNXBMFYSA-N 0 3 306.454 1.661 40 0 DDABHN CNC(=O)CC[C@@]1(OC)CCCN(Cc2ccncc2C)C1 ZINC000585277312 354821793 /nfs/dbraw/zinc/82/17/93/354821793.db2.gz UIPSLEAFRNANMD-KRWDZBQOSA-N 0 3 305.422 1.897 40 0 DDABHN CCc1cc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)no1 ZINC000257298419 203022667 /nfs/dbraw/zinc/02/26/67/203022667.db2.gz RLNARPVOHKQAKA-HNNXBMFYSA-N 0 3 316.361 1.736 40 0 DDABHN CNc1cc(C)nc([C@H]2COCCN2Cc2cn[nH]c2C)n1 ZINC000257301382 203024650 /nfs/dbraw/zinc/02/46/50/203024650.db2.gz RYGWFKGQHDKLHO-CYBMUJFWSA-N 0 3 302.382 1.432 40 0 DDABHN CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257340813 203062300 /nfs/dbraw/zinc/06/23/00/203062300.db2.gz ZHPXCRVXVPTUAO-HZPDHXFCSA-N 0 3 320.437 1.308 40 0 DDABHN c1cc(CN2CCC[C@H]2Cn2nnc(-c3ccncc3)n2)ccn1 ZINC000019405258 182121624 /nfs/dbraw/zinc/12/16/24/182121624.db2.gz NCZQWMJSJHDACI-INIZCTEOSA-N 0 3 321.388 1.795 40 0 DDABHN COc1cccc(OC)c1C(=O)NCCCN1CCN(C)CC1 ZINC000022934794 182342073 /nfs/dbraw/zinc/34/20/73/182342073.db2.gz SPHBWUZWCBPRRL-UHFFFAOYSA-N 0 3 321.421 1.071 40 0 DDABHN OCCN[C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccccc1 ZINC000001593690 406671391 /nfs/dbraw/zinc/67/13/91/406671391.db2.gz CPENJQYCUCOIAE-DLBZAZTESA-N 0 3 301.342 1.772 40 0 DDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccccn1)C2)N1CCCO1 ZINC000096209516 407251153 /nfs/dbraw/zinc/25/11/53/407251153.db2.gz IKCFLWPXZGJBNA-PBHICJAKSA-N 0 3 317.389 1.084 40 0 DDABHN CNC(=O)C[C@H]1C[C@H]2CN(Cc3cccc(OC)c3)C[C@H]2O1 ZINC000096220323 407253243 /nfs/dbraw/zinc/25/32/43/407253243.db2.gz YNBGLJQYORJMSP-NUEKZKHPSA-N 0 3 304.390 1.421 40 0 DDABHN OCCN1CCC(F)(F)[C@]2(CCN(c3ncccc3F)C2)C1 ZINC000096239815 407254768 /nfs/dbraw/zinc/25/47/68/407254768.db2.gz XCSMAUVBPYLAJK-CQSZACIVSA-N 0 3 315.339 1.751 40 0 DDABHN c1ccc(OC[C@H]2C[C@H]3OCCN(C[C@@H]4CCOC4)[C@@H]3C2)nc1 ZINC000096250611 407255637 /nfs/dbraw/zinc/25/56/37/407255637.db2.gz WJPYGEFZEDYKRP-YLFCFFPRSA-N 0 3 318.417 1.976 40 0 DDABHN COCCN1C[C@@H](N(C)Cc2ccco2)[C@H]2OCCC[C@H]2C1 ZINC000096040677 407225476 /nfs/dbraw/zinc/22/54/76/407225476.db2.gz HWMNRQYSFAXJDK-UAGQMJEPSA-N 0 3 308.422 1.837 40 0 DDABHN CN(C)C(=O)N[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047964 407227557 /nfs/dbraw/zinc/22/75/57/407227557.db2.gz QTLVLVUSNSMNGN-CYBMUJFWSA-N 0 3 307.394 1.674 40 0 DDABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 ZINC000096053762 407229042 /nfs/dbraw/zinc/22/90/42/407229042.db2.gz OCYZIEMGYVPKPD-HZPDHXFCSA-N 0 3 308.385 1.681 40 0 DDABHN c1cc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)ccn1 ZINC000096058654 407230648 /nfs/dbraw/zinc/23/06/48/407230648.db2.gz QTSMQTTVMRLMFG-HNNXBMFYSA-N 0 3 310.401 1.976 40 0 DDABHN COCCn1cc2c(n1)[C@H](CNCc1ccncc1)OCC2 ZINC000096059704 407231834 /nfs/dbraw/zinc/23/18/34/407231834.db2.gz KETNWPLHKFXKBZ-HNNXBMFYSA-N 0 3 302.378 1.328 40 0 DDABHN Cc1ccc(N2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)nn1 ZINC000096065394 407232578 /nfs/dbraw/zinc/23/25/78/407232578.db2.gz GPVWEFNQKBOFRR-YCPHGPKFSA-N 0 3 306.410 1.099 40 0 DDABHN COc1cccc(CC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 ZINC000096107928 407237317 /nfs/dbraw/zinc/23/73/17/407237317.db2.gz WDBNYKJSYZRRHN-GOEBONIOSA-N 0 3 304.390 1.027 40 0 DDABHN CN(C)CC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157421 407241752 /nfs/dbraw/zinc/24/17/52/407241752.db2.gz GBAORBJDBZNSMZ-UHFFFAOYSA-N 0 3 316.449 1.458 40 0 DDABHN COCCN1CC2(CC1=O)CCN(Cc1cnc(C)[nH]1)CC2 ZINC000108532485 407387273 /nfs/dbraw/zinc/38/72/73/407387273.db2.gz KHUWWHYRNYRLSH-UHFFFAOYSA-N 0 3 306.410 1.179 40 0 DDABHN O=C(c1ccc([O-])cc1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257230811 407507596 /nfs/dbraw/zinc/50/75/96/407507596.db2.gz GEAORCMMJLXOIL-SFHVURJKSA-N 0 3 318.417 1.845 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218447760 407518661 /nfs/dbraw/zinc/51/86/61/407518661.db2.gz HSKRTJBWZWQIEF-IHRRRGAJSA-N 0 3 317.838 1.832 40 0 DDABHN NC[C@@]1(N)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218626969 407521467 /nfs/dbraw/zinc/52/14/67/407521467.db2.gz JIXOLIWQMNRVJR-HRCADAONSA-N 0 3 320.389 1.422 40 0 DDABHN CNc1cncc(C[C@@H]2COCCN(C3CCOCC3)C2)n1 ZINC000257264395 407526888 /nfs/dbraw/zinc/52/68/88/407526888.db2.gz LUEASNKMWMQSRO-ZDUSSCGKSA-N 0 3 306.410 1.188 40 0 DDABHN CS(=O)(=O)N[C@@H]1CCN(CC2CC2)[C@H]1Cc1ccncc1 ZINC000247492236 408481614 /nfs/dbraw/zinc/48/16/14/408481614.db2.gz BWMFGFHLBBXASM-CABCVRRESA-N 0 3 309.435 1.026 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)C1CCC(NC(=O)CN)CC1 ZINC000079409413 278377022 /nfs/dbraw/zinc/37/70/22/278377022.db2.gz RBNRXKZRLCSYSL-UHFFFAOYSA-N 0 3 311.426 1.772 40 0 DDABHN O=C(C1CCCCC1)N1CCn2c(nnc2[C@@H]2CCCN2)C1 ZINC000257248778 295445839 /nfs/dbraw/zinc/44/58/39/295445839.db2.gz JFDRTXAFLKWWFF-ZDUSSCGKSA-N 0 3 303.410 1.625 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccccc2N)C1 ZINC000101038976 353922436 /nfs/dbraw/zinc/92/24/36/353922436.db2.gz RPSOEEVYCCKIDJ-SWLSCSKDSA-N 0 3 320.437 1.868 40 0 DDABHN NC(=O)CC[C@]1(O)CCCN(CCCOc2ccccc2F)C1 ZINC000585276753 354820602 /nfs/dbraw/zinc/82/06/02/354820602.db2.gz DMZGGTRIKLHZDN-QGZVFWFLSA-N 0 3 324.396 1.687 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000257273372 203000999 /nfs/dbraw/zinc/00/09/99/203000999.db2.gz NGGYQDRCRNIHKF-LJQANCHMSA-N 0 3 312.413 1.907 40 0 DDABHN COc1ccc2[nH]c(=O)c(CNC[C@@H]3COCCO3)cc2c1 ZINC000019563538 182130304 /nfs/dbraw/zinc/13/03/04/182130304.db2.gz VQSONHBAQXPUNG-CQSZACIVSA-N 0 3 304.346 1.042 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1coc2ccccc2c1=O ZINC000019576034 182130953 /nfs/dbraw/zinc/13/09/53/182130953.db2.gz FHHUJWKASGMLKV-AEGPPILISA-N 0 3 314.385 1.432 40 0 DDABHN C[C@H](Sc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000022934874 182342117 /nfs/dbraw/zinc/34/21/17/182342117.db2.gz DPPZUAHMAXSSDP-HNNXBMFYSA-N 0 3 321.490 1.921 40 0 DDABHN COc1ccc(C(=O)N2CCO[C@]3(CCCN(C)C3)C2)cc1 ZINC000063527665 184284859 /nfs/dbraw/zinc/28/48/59/184284859.db2.gz JEAHMKFDJLFPBD-KRWDZBQOSA-N 0 3 304.390 1.632 40 0 DDABHN N[C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001719790 406679181 /nfs/dbraw/zinc/67/91/81/406679181.db2.gz KGXGNCWRTGFTGA-JKSUJKDBSA-N 0 3 301.298 1.877 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000009995102 406816341 /nfs/dbraw/zinc/81/63/41/406816341.db2.gz PCDWWZOSDFFJQA-UHFFFAOYSA-N 0 3 303.284 1.322 40 0 DDABHN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(CC2CC2)C1 ZINC000096244448 407254908 /nfs/dbraw/zinc/25/49/08/407254908.db2.gz XECFKMGDGNFVBM-QGZVFWFLSA-N 0 3 302.422 1.735 40 0 DDABHN O=C(C1CCOCC1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096053845 407229915 /nfs/dbraw/zinc/22/99/15/407229915.db2.gz PXHDCEUJBTWEBH-HZPDHXFCSA-N 0 3 315.417 1.398 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1cccs1)CCC2 ZINC000096059560 407232272 /nfs/dbraw/zinc/23/22/72/407232272.db2.gz HJVSEYBGBWNXKE-UHFFFAOYSA-N 0 3 318.446 1.772 40 0 DDABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(C)s1)C2 ZINC000096108395 407237459 /nfs/dbraw/zinc/23/74/59/407237459.db2.gz IWISOWUQTGAHJN-CJNGLKHVSA-N 0 3 324.446 1.268 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nn1CC)CC[C@@H]2OC ZINC000096109410 407237599 /nfs/dbraw/zinc/23/75/99/407237599.db2.gz FSVTWJIQLVSBTI-IMJJTQAJSA-N 0 3 320.437 1.393 40 0 DDABHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cccs2)cn1 ZINC000096110723 407238490 /nfs/dbraw/zinc/23/84/90/407238490.db2.gz XRFZUVMODMSCPM-UONOGXRCSA-N 0 3 302.403 1.861 40 0 DDABHN CN(C)[C@H]1COC2(C1)CCN(C(=O)Cc1ccccn1)CC2 ZINC000096158635 407241848 /nfs/dbraw/zinc/24/18/48/407241848.db2.gz ZPVNFBWIKSQJLQ-OAHLLOKOSA-N 0 3 303.406 1.336 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cccn2C)[C@H]1Cc1ccncc1 ZINC000096200991 407248338 /nfs/dbraw/zinc/24/83/38/407248338.db2.gz HWUQVANHGSHZPP-WBVHZDCISA-N 0 3 312.417 1.808 40 0 DDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NCC2CC2)C1 ZINC000096208923 407250458 /nfs/dbraw/zinc/25/04/58/407250458.db2.gz AFWSEAMSOZLZRM-RHSMWYFYSA-N 0 3 319.405 1.266 40 0 DDABHN COCCNC(=O)[C@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108525016 407386932 /nfs/dbraw/zinc/38/69/32/407386932.db2.gz VRUSZLGBSSXDCS-NVXWUHKLSA-N 0 3 320.437 1.175 40 0 DDABHN O=C([C@H]1CN(Cc2cccs2)[C@@H]2CCO[C@@H]21)N1CCOCC1 ZINC000108536132 407387374 /nfs/dbraw/zinc/38/73/74/407387374.db2.gz AJHAAJHKCLIERK-RRFJBIMHSA-N 0 3 322.430 1.196 40 0 DDABHN Cc1ncc(CN2C[C@@H]3[C@H](N(C)c4cnccn4)CC[C@@H]3C2)cn1 ZINC000257243928 407512452 /nfs/dbraw/zinc/51/24/52/407512452.db2.gz IJDMPMAWYJDQGN-IXDOHACOSA-N 0 3 324.432 1.922 40 0 DDABHN COc1ccc([C@@H]2CN(C(=O)Cc3c[nH]cn3)CCN2C)cc1 ZINC000257245684 407516985 /nfs/dbraw/zinc/51/69/85/407516985.db2.gz IQQAKLCPTHKGJU-INIZCTEOSA-N 0 3 314.389 1.476 40 0 DDABHN COc1cccc(C(=O)N2Cc3cncn3[C@@H](CN(C)C)C2)c1 ZINC000248138378 408537118 /nfs/dbraw/zinc/53/71/18/408537118.db2.gz SLRPQCVBMPYKGQ-HNNXBMFYSA-N 0 3 314.389 1.650 40 0 DDABHN C[C@@]1(NCCNCc2ccccc2Cl)CCS(=O)(=O)C1 ZINC000575420044 422296707 /nfs/dbraw/zinc/29/67/07/422296707.db2.gz DSLWENMGZVOKJQ-CQSZACIVSA-N 0 3 316.854 1.596 40 0 DDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1ccn(C)n1 ZINC000072394839 289203321 /nfs/dbraw/zinc/20/33/21/289203321.db2.gz SKEFWNCCULPCPG-CQSZACIVSA-N 0 3 314.389 1.385 40 0 DDABHN Cc1ncc2cc(C)nc([C@@H]3CCCCN3S(C)(=O)=O)n12 ZINC000257245014 302706993 /nfs/dbraw/zinc/70/69/93/302706993.db2.gz INTSIVCSJRNGHW-ZDUSSCGKSA-N 0 3 308.407 1.833 40 0 DDABHN CN(C)Cc1ccc(C(=O)N2CCOC[C@H]2c2cc[nH]n2)cc1 ZINC000257305011 282146796 /nfs/dbraw/zinc/14/67/96/282146796.db2.gz SOBSFDCLGQJJDH-INIZCTEOSA-N 0 3 314.389 1.685 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079412834 185170201 /nfs/dbraw/zinc/17/02/01/185170201.db2.gz WHEZFDXMQYFQOJ-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN C[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OCc1ccccc1 ZINC000079412710 185170491 /nfs/dbraw/zinc/17/04/91/185170491.db2.gz GVYJKXAUPTUPLV-DZGCQCFKSA-N 0 3 319.405 1.641 40 0 DDABHN CC(C)N(C(=O)CN)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392942 185168672 /nfs/dbraw/zinc/16/86/72/185168672.db2.gz GSTONUDYUSYSHC-HNNXBMFYSA-N 0 3 319.405 1.593 40 0 DDABHN C[C@H](N)C(=O)N(C)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393071 185169052 /nfs/dbraw/zinc/16/90/52/185169052.db2.gz UGAGPRBRNTWQGW-JSGCOSHPSA-N 0 3 305.378 1.203 40 0 DDABHN CC(=O)N1CCC(Cc2cnc(NCCN(C)C)cn2)CC1 ZINC000072364997 191133801 /nfs/dbraw/zinc/13/38/01/191133801.db2.gz LBEIMGPICWFDBM-UHFFFAOYSA-N 0 3 305.426 1.251 40 0 DDABHN O=C(NCc1ccc(F)cc1)c1cncc([C@@H]2CCCN2)n1 ZINC000072365641 191133903 /nfs/dbraw/zinc/13/39/03/191133903.db2.gz VKMDGNDODICBFC-ZDUSSCGKSA-N 0 3 300.337 1.970 40 0 DDABHN CC(=O)N1CCC(O)(CN2CCC(c3cnccn3)CC2)CC1 ZINC000072367454 191136985 /nfs/dbraw/zinc/13/69/85/191136985.db2.gz SAXSQZWEYWXTRT-UHFFFAOYSA-N 0 3 318.421 1.029 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000116904085 353992337 /nfs/dbraw/zinc/99/23/37/353992337.db2.gz IFULEBNOBLLOKS-PHIMTYICSA-N 0 3 315.414 1.766 40 0 DDABHN COc1ccc(C)cc1CC(=O)N1CC[C@](O)(CN(C)C)C1 ZINC000257294216 203020121 /nfs/dbraw/zinc/02/01/21/203020121.db2.gz QTCBBDXXOFXYNV-KRWDZBQOSA-N 0 3 306.406 1.071 40 0 DDABHN CC(C)c1ccc([C@@H](N)CNC(=O)C[C@@H]2COCCN2)cc1 ZINC000261969614 203164144 /nfs/dbraw/zinc/16/41/44/203164144.db2.gz CQWVWHNRUZDOQB-CVEARBPZSA-N 0 3 305.422 1.305 40 0 DDABHN CCc1cc(C(=O)N2CCC(n3ncc4c3CNC4)CC2)n[nH]1 ZINC000333607361 249040089 /nfs/dbraw/zinc/04/00/89/249040089.db2.gz RIPABDLYOVNGNC-UHFFFAOYSA-N 0 3 314.393 1.249 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218023109 257131234 /nfs/dbraw/zinc/13/12/34/257131234.db2.gz VJIVNVRXMXWSGF-KCQAQPDRSA-N 0 3 311.403 1.095 40 0 DDABHN CCOC[C@@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001474 257131651 /nfs/dbraw/zinc/13/16/51/257131651.db2.gz AVVOSUKEBKSAHU-STQMWFEESA-N 0 3 303.811 1.868 40 0 DDABHN COc1cc(OC)c(C(=O)C(CN(C)C)CN(C)C)cc1OC ZINC000001590147 406671485 /nfs/dbraw/zinc/67/14/85/406671485.db2.gz SQSUKPBUTBYWQU-UHFFFAOYSA-N 0 3 324.421 1.635 40 0 DDABHN O=C(CNCCc1ccccc1)NCc1ccc2c(c1)OCO2 ZINC000035311510 406971150 /nfs/dbraw/zinc/97/11/50/406971150.db2.gz JCEVIXSRIGYAOA-UHFFFAOYSA-N 0 3 312.369 1.864 40 0 DDABHN CN(C)C(=O)CN1CCC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096224585 407253192 /nfs/dbraw/zinc/25/31/92/407253192.db2.gz KZEYENFRGHVXKB-MRXNPFEDSA-N 0 3 321.446 1.655 40 0 DDABHN CN1CCC2(CC1)COc1ccccc1S(=O)(=O)N(C)C2 ZINC000096263483 407258439 /nfs/dbraw/zinc/25/84/39/407258439.db2.gz QBKFDDSLQIGHEF-UHFFFAOYSA-N 0 3 310.419 1.412 40 0 DDABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccncc1)C2 ZINC000096048710 407227266 /nfs/dbraw/zinc/22/72/66/407227266.db2.gz UKLOQESVCHZENA-SFHVURJKSA-N 0 3 323.400 1.891 40 0 DDABHN CNC(=O)[C@H]1CO[C@H]2CCN(Cc3c(C)noc3C)C[C@H]2C1 ZINC000096066012 407232698 /nfs/dbraw/zinc/23/26/98/407232698.db2.gz FSJZYYVDONAFNG-NFAWXSAZSA-N 0 3 307.394 1.264 40 0 DDABHN CCN1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(C)[C@H]2CC1 ZINC000096091338 407235832 /nfs/dbraw/zinc/23/58/32/407235832.db2.gz STPUFXFNMFZAMG-STQMWFEESA-N 0 3 310.419 1.552 40 0 DDABHN CCN1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096100229 407236764 /nfs/dbraw/zinc/23/67/64/407236764.db2.gz CQWZFLOGTWPQDX-KRWDZBQOSA-N 0 3 318.421 1.115 40 0 DDABHN COc1cccc(CN2CCc3nc(C(N)=O)sc3CC2)c1 ZINC000096146996 407240917 /nfs/dbraw/zinc/24/09/17/407240917.db2.gz WVGJAMQHSPZUHN-UHFFFAOYSA-N 0 3 317.414 1.851 40 0 DDABHN COCCN1CCC2(CCN(Cc3cccn3C)CC2)C1=O ZINC000096157754 407241326 /nfs/dbraw/zinc/24/13/26/407241326.db2.gz MAEDJNQMTXELPT-UHFFFAOYSA-N 0 3 305.422 1.486 40 0 DDABHN Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cnccn4)C[C@@H]3C2)o1 ZINC000096182297 407243299 /nfs/dbraw/zinc/24/32/99/407243299.db2.gz DWAIXBYHEJSIHA-OKILXGFUSA-N 0 3 312.373 1.582 40 0 DDABHN COC[C@H]1C(=O)NCC12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096206124 407249272 /nfs/dbraw/zinc/24/92/72/407249272.db2.gz LXCYPBQRVATNEM-INIZCTEOSA-N 0 3 318.417 1.670 40 0 DDABHN O=C1C[C@@H]2[C@@H](CCN2Cc2cccs2)N1c1cncnc1 ZINC000107251846 407371502 /nfs/dbraw/zinc/37/15/02/407371502.db2.gz DWLWZAIODHQHLR-ZIAGYGMSSA-N 0 3 300.387 1.918 40 0 DDABHN COc1cc(C=O)ccc1OCCCCN1CCN(C)CC1 ZINC000217798060 407509813 /nfs/dbraw/zinc/50/98/13/407509813.db2.gz JWLCDPWVHOGJEX-UHFFFAOYSA-N 0 3 306.406 1.914 40 0 DDABHN CCOCC(=O)N1CC[C@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257246399 407518237 /nfs/dbraw/zinc/51/82/37/407518237.db2.gz ITZDMZXVUQSLQP-KRWDZBQOSA-N 0 3 324.396 1.257 40 0 DDABHN Cc1n[nH]cc1CN1C[C@@H]2[C@H](N(C)c3cccnn3)CC[C@@H]2C1 ZINC000257255381 407520458 /nfs/dbraw/zinc/52/04/58/407520458.db2.gz KHFKUZXJWMSHBI-VNQPRFMTSA-N 0 3 312.421 1.855 40 0 DDABHN CN(C)Cc1cnc([C@H]2CN(Cc3ccncc3)CCO2)[nH]1 ZINC000257284098 407529543 /nfs/dbraw/zinc/52/95/43/407529543.db2.gz PBFUXYSSTOJJPQ-OAHLLOKOSA-N 0 3 301.394 1.440 40 0 DDABHN CC(=O)N1CCC(N2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000257333139 407534044 /nfs/dbraw/zinc/53/40/44/407534044.db2.gz YAHMZVADUCZVAQ-IAGOWNOFSA-N 0 3 322.380 1.261 40 0 DDABHN c1cn(-c2cncc([C@H]3CCCN(Cc4cnc[nH]4)C3)n2)cn1 ZINC000257333085 407534236 /nfs/dbraw/zinc/53/42/36/407534236.db2.gz YABRSSAXGWAZTM-ZDUSSCGKSA-N 0 3 309.377 1.765 40 0 DDABHN CN1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306136198 530061492 /nfs/dbraw/zinc/06/14/92/530061492.db2.gz PMLCPCIHHYTLEE-ZDUSSCGKSA-N 0 3 301.394 1.375 40 0 DDABHN CC1CC(C(=O)N2CCC[C@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC000585101004 354807168 /nfs/dbraw/zinc/80/71/68/354807168.db2.gz SJOMUPFXNZZPCG-JMLCCBQJSA-N 0 3 321.465 1.435 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc(N3CCCC3)cc2)C1 ZINC000257328330 203050983 /nfs/dbraw/zinc/05/09/83/203050983.db2.gz XFEDQSIZWXNXRY-SFHVURJKSA-N 0 3 317.433 1.425 40 0 DDABHN COCCN1C(=O)CCC[C@H]2CN(Cc3cnc[nH]3)CC[C@H]21 ZINC000257333949 203056441 /nfs/dbraw/zinc/05/64/41/203056441.db2.gz YDVDDNBOSVROGS-DZGCQCFKSA-N 0 3 306.410 1.259 40 0 DDABHN NC[C@]1(N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242538946 257120467 /nfs/dbraw/zinc/12/04/67/257120467.db2.gz JIXOLIWQMNRVJR-XHSDSOJGSA-N 0 3 320.389 1.422 40 0 DDABHN Cc1cc(N2CCN(C=O)CC2)ncc1[C@H](N)c1ccccc1 ZINC000072223689 257123113 /nfs/dbraw/zinc/12/31/13/257123113.db2.gz FZRVPGTWQWZRMC-GOSISDBHSA-N 0 3 310.401 1.717 40 0 DDABHN c1nc2c([nH]1)[C@@H](c1ccc([C@@H]3NCCc4nc[nH]c43)cc1)NCC2 ZINC000001730855 406678606 /nfs/dbraw/zinc/67/86/06/406678606.db2.gz YMRZRVBWYWHBST-IYBDPMFKSA-N 0 3 320.400 1.603 40 0 DDABHN Cc1ccc2[nH]c(=O)c(CNCCCN3CCOCC3)cc2c1 ZINC000004131201 406723718 /nfs/dbraw/zinc/72/37/18/406723718.db2.gz MJEHTQZYZZULLB-UHFFFAOYSA-N 0 3 315.417 1.648 40 0 DDABHN O=C(NCCN1CCCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000035313979 406970454 /nfs/dbraw/zinc/97/04/54/406970454.db2.gz YUUNSWYROSBRFN-UHFFFAOYSA-N 0 3 314.393 1.268 40 0 DDABHN COc1ccc(CN[C@@H]2[C@@H](c3cccnc3)C[C@@H](O)[C@H]2O)cc1 ZINC000077261932 406981568 /nfs/dbraw/zinc/98/15/68/406981568.db2.gz XMUMESHHQBKYJA-BRSBDYLESA-N 0 3 314.385 1.458 40 0 biogenic,in-vitro DDABHN COc1ccc(NC(=O)CNC[C@H](O)c2ccccc2)cc1 ZINC000028616956 406918188 /nfs/dbraw/zinc/91/81/88/406918188.db2.gz BEMIUPCFAYMTQN-INIZCTEOSA-N 0 3 300.358 1.957 40 0 DDABHN CN(C)CCN1CC[C@]2(CCCN(Cc3cccn3C)C2)C1=O ZINC000096223855 407252771 /nfs/dbraw/zinc/25/27/71/407252771.db2.gz ROPWFXKHTGYRIK-SFHVURJKSA-N 0 3 318.465 1.401 40 0 DDABHN COc1cc(N2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)ncn1 ZINC000096249312 407256564 /nfs/dbraw/zinc/25/65/64/407256564.db2.gz BYBFIOULTMMQFA-HUUCEWRRSA-N 0 3 318.421 1.565 40 0 DDABHN Cn1cc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cn1 ZINC000096296293 407258955 /nfs/dbraw/zinc/25/89/55/407258955.db2.gz BQCFDBVWMINIGH-INIZCTEOSA-N 0 3 323.400 1.972 40 0 biogenic,in-vitro DDABHN CN(C)CCn1c(=O)ccc2c1CC[C@H](Nc1ncccn1)C2 ZINC000096067605 407233871 /nfs/dbraw/zinc/23/38/71/407233871.db2.gz PHOKHRBRZGDNLT-AWEZNQCLSA-N 0 3 313.405 1.169 40 0 DDABHN COCCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096080914 407234742 /nfs/dbraw/zinc/23/47/42/407234742.db2.gz BCXYHFVAFWHJJA-HUUCEWRRSA-N 0 3 306.381 1.752 40 0 DDABHN Cc1ccc(C(=O)N2CCC[C@@]3(C2)COCCN(C)C3)cn1 ZINC000096076200 407235342 /nfs/dbraw/zinc/23/53/42/407235342.db2.gz QGNSQEWLVXODBH-QGZVFWFLSA-N 0 3 303.406 1.574 40 0 DDABHN CN(C)CCOCc1ncn2c1CN(Cc1ccco1)CC2 ZINC000096085158 407236120 /nfs/dbraw/zinc/23/61/20/407236120.db2.gz IUOOHXJFZIBGCL-UHFFFAOYSA-N 0 3 304.394 1.570 40 0 DDABHN c1ccc(CO[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)nc1 ZINC000096183471 407243393 /nfs/dbraw/zinc/24/33/93/407243393.db2.gz NUHKPUPMCLSEDZ-RBUKOAKNSA-N 0 3 324.428 1.952 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(Cc3nc(C)no3)C2)o1 ZINC000096206635 407249285 /nfs/dbraw/zinc/24/92/85/407249285.db2.gz MPJVVLBBTIAALB-CJNGLKHVSA-N 0 3 303.362 1.971 40 0 DDABHN O=C(c1cccc2cccnc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257213572 407497881 /nfs/dbraw/zinc/49/78/81/407497881.db2.gz CIDUPWUFRIMMIA-HZPDHXFCSA-N 0 3 311.385 1.516 40 0 DDABHN Cc1nccc(C(=O)N2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)n1 ZINC000257224934 407503458 /nfs/dbraw/zinc/50/34/58/407503458.db2.gz FEAKPSJIUGLCBQ-GFCCVEGCSA-N 0 3 314.393 1.199 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000257246432 407516616 /nfs/dbraw/zinc/51/66/16/407516616.db2.gz IUCCRYVYXGBRND-IBGZPJMESA-N 0 3 316.445 1.633 40 0 DDABHN CCN(CC)C(=O)CN1CCNC[C@H]1c1ccc(OC)cc1 ZINC000257245289 407517451 /nfs/dbraw/zinc/51/74/51/407517451.db2.gz IOVQGABANPYTSM-INIZCTEOSA-N 0 3 305.422 1.510 40 0 DDABHN COC[C@@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218419912 407519790 /nfs/dbraw/zinc/51/97/90/407519790.db2.gz NVTZOBTVXRSMQW-AGIUHOORSA-N 0 3 303.811 1.442 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218567954 407521076 /nfs/dbraw/zinc/52/10/76/407521076.db2.gz CNDNXYYGASASDE-QLFBSQMISA-N 0 3 315.410 1.708 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000006953166 190626219 /nfs/dbraw/zinc/62/62/19/190626219.db2.gz OCBSHZTUYTVKHK-HNNXBMFYSA-N 0 3 303.406 1.842 40 0 DDABHN COC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1 ZINC000225800096 201748711 /nfs/dbraw/zinc/74/87/11/201748711.db2.gz UZMGWNFVNZNLQA-UHFFFAOYSA-N 0 3 307.419 1.854 40 0 DDABHN NC(=O)c1ccc(-c2nccc([C@@H]3CCCN3CCO)n2)cc1 ZINC000072355778 191130966 /nfs/dbraw/zinc/13/09/66/191130966.db2.gz ILJJWZMQQCFHSV-HNNXBMFYSA-N 0 3 312.373 1.372 40 0 DDABHN CN1CCC(C(=O)NCCCN2CCc3ccccc32)CC1 ZINC000072871541 191244127 /nfs/dbraw/zinc/24/41/27/191244127.db2.gz UTNQWQYGSDIFLX-UHFFFAOYSA-N 0 3 301.434 1.897 40 0 DDABHN CN(Cc1cnc2ccccc2c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585290403 354824885 /nfs/dbraw/zinc/82/48/85/354824885.db2.gz BZODYBKBDKVPTR-OIISXLGYSA-N 0 3 302.374 1.035 40 0 DDABHN CC(=O)N1CCC(O)(CN2CCC[C@@H](c3nccs3)C2)CC1 ZINC000257288284 203014470 /nfs/dbraw/zinc/01/44/70/203014470.db2.gz PTPJVHBQXOVWHB-CQSZACIVSA-N 0 3 323.462 1.696 40 0 DDABHN CC1CCN(CCNC(=O)c2cc(-c3cnn(C)c3)on2)CC1 ZINC000019496913 182125351 /nfs/dbraw/zinc/12/53/51/182125351.db2.gz CXXIDKZVNDBWIT-UHFFFAOYSA-N 0 3 317.393 1.537 40 0 DDABHN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 ZINC000242548226 257120239 /nfs/dbraw/zinc/12/02/39/257120239.db2.gz LDZDZSWXYYZRHV-IKGGRYGDSA-N 0 3 316.426 1.591 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(C)(=O)=O ZINC000242750648 257120510 /nfs/dbraw/zinc/12/05/10/257120510.db2.gz ZUJZVZIEQXDYDF-BFHYXJOUSA-N 0 3 301.383 1.318 40 0 DDABHN CCOC[C@@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001630 257131815 /nfs/dbraw/zinc/13/18/15/257131815.db2.gz AVVOSUKEBKSAHU-OLZOCXBDSA-N 0 3 303.811 1.868 40 0 DDABHN N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 ZINC000026505281 406904652 /nfs/dbraw/zinc/90/46/52/406904652.db2.gz CQGQSLDQXDUVQF-MNOVXSKESA-N 0 3 300.380 1.475 40 0 DDABHN CCOC(=O)[C@H]1CCCN(C[C@H](O)COC2CCCCC2)C1 ZINC000035088699 406966236 /nfs/dbraw/zinc/96/62/36/406966236.db2.gz ODCLSMNDBFQLNF-GJZGRUSLSA-N 0 3 313.438 1.972 40 0 DDABHN CCOC(=O)CCN(CCC(=O)OCC)CCC(=O)OCC ZINC000031912492 406943502 /nfs/dbraw/zinc/94/35/02/406943502.db2.gz DQAUEQBDYUQDRY-UHFFFAOYSA-N 0 3 317.382 1.148 40 0 DDABHN O=C(CN1C[C@@H](O)C[C@@H]1C1CCCCC1)NC[C@@H]1CCCO1 ZINC000084543901 407089847 /nfs/dbraw/zinc/08/98/47/407089847.db2.gz XYWGZSMHGNOPGX-HRCADAONSA-N 0 3 310.438 1.297 40 0 DDABHN Cc1ccc(CN2CC[C@H]3CO[C@H](CNC(=O)C4CC4)[C@H]3C2)o1 ZINC000096056273 407229533 /nfs/dbraw/zinc/22/95/33/407229533.db2.gz MNGGGSTZKXELKH-BHYGNILZSA-N 0 3 318.417 1.951 40 0 DDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3c(C)noc3C)C[C@H]2N1C(C)C ZINC000096054227 407229802 /nfs/dbraw/zinc/22/98/02/407229802.db2.gz PKWDQKBXRYOMLF-CWRNSKLLSA-N 0 3 320.437 1.321 40 0 DDABHN CCN1C[C@]2(CC1=O)CNCCN(C(=O)Nc1ccccc1)C2 ZINC000096143497 407240375 /nfs/dbraw/zinc/24/03/75/407240375.db2.gz JTJDOTPWGHFVMO-KRWDZBQOSA-N 0 3 316.405 1.362 40 0 DDABHN CN(C)[C@@H]1COC2(C1)CCN(C(=O)Cc1ccccn1)CC2 ZINC000096158636 407241291 /nfs/dbraw/zinc/24/12/91/407241291.db2.gz ZPVNFBWIKSQJLQ-HNNXBMFYSA-N 0 3 303.406 1.336 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218558591 407520668 /nfs/dbraw/zinc/52/06/68/407520668.db2.gz FOCCYJDNKLSTBP-KKUMJFAQSA-N 0 3 315.410 1.708 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@@]1(CN)COC ZINC000218537617 407521137 /nfs/dbraw/zinc/52/11/37/407521137.db2.gz CDXPMXLRYGCAKL-MGPQQGTHSA-N 0 3 301.383 1.318 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@H]1NC(=O)CN ZINC000079409439 278377339 /nfs/dbraw/zinc/37/73/39/278377339.db2.gz XBCZCPFWDWBVTK-OLZOCXBDSA-N 0 3 311.426 1.772 40 0 DDABHN CCN(C[C@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412378 185170566 /nfs/dbraw/zinc/17/05/66/185170566.db2.gz XKJVZISRCCHVIA-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN C[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393053 185168766 /nfs/dbraw/zinc/16/87/66/185168766.db2.gz ZOLDVVHTTMHQJL-DZGCQCFKSA-N 0 3 319.405 1.499 40 0 DDABHN CN(C)C(=O)CC[C@@]1(O)CCCN(CCOc2ccccc2)C1 ZINC000585277044 354820864 /nfs/dbraw/zinc/82/08/64/354820864.db2.gz JLWYNZYQVBESOV-SFHVURJKSA-N 0 3 320.433 1.761 40 0 DDABHN O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1cncnc1 ZINC000096245208 285008231 /nfs/dbraw/zinc/00/82/31/285008231.db2.gz FULOYGBNZNJECY-BBRMVZONSA-N 0 3 312.348 1.711 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218443334 257131121 /nfs/dbraw/zinc/13/11/21/257131121.db2.gz AHYIIUOXWGVNDO-HRCADAONSA-N 0 3 311.447 1.877 40 0 DDABHN Cc1ccc(N2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)nn1 ZINC000096082207 292138974 /nfs/dbraw/zinc/13/89/74/292138974.db2.gz QKBXDFSSZSDOGK-HZPDHXFCSA-N 0 3 302.422 1.865 40 0 DDABHN CCN1CCNC(=O)C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096230149 407253992 /nfs/dbraw/zinc/25/39/92/407253992.db2.gz MVHPEIYGGDBNCG-UHFFFAOYSA-N 0 3 317.433 1.482 40 0 DDABHN COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2C)C1 ZINC000096419278 407263189 /nfs/dbraw/zinc/26/31/89/407263189.db2.gz KACHNQXAZBXJQJ-DJIMGWMZSA-N 0 3 302.418 1.935 40 0 DDABHN Cn1cc(CN2CC[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cn1 ZINC000096054166 407228988 /nfs/dbraw/zinc/22/89/88/407228988.db2.gz UOTUXMABLNTXJW-CABCVRRESA-N 0 3 317.462 1.831 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1cccs1)CC[C@@H]2OC ZINC000096109417 407237217 /nfs/dbraw/zinc/23/72/17/407237217.db2.gz HWBKOJCTHNIBQF-XHSDSOJGSA-N 0 3 310.463 1.916 40 0 DDABHN Cc1ncoc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107997 407237663 /nfs/dbraw/zinc/23/76/63/407237663.db2.gz QPAZUZFQQQGBTE-UONOGXRCSA-N 0 3 305.378 1.166 40 0 DDABHN CN(Cc1cncnc1)[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096186021 407245584 /nfs/dbraw/zinc/24/55/84/407245584.db2.gz NJJLKEZSUQKKAR-ZACQAIPSSA-N 0 3 302.422 1.550 40 0 DDABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@H]2CCOC2)cn1 ZINC000096200708 407248596 /nfs/dbraw/zinc/24/85/96/407248596.db2.gz NDVUXHLCMDHYLD-ULQDDVLXSA-N 0 3 305.422 1.621 40 0 DDABHN Cn1cc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@@H]2CCOC2)cn1 ZINC000096200707 407249014 /nfs/dbraw/zinc/24/90/14/407249014.db2.gz NDVUXHLCMDHYLD-IKGGRYGDSA-N 0 3 305.422 1.621 40 0 DDABHN O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 ZINC000107198110 407370643 /nfs/dbraw/zinc/37/06/43/407370643.db2.gz PECATAPVBYEEHI-OKZBNKHCSA-N 0 3 314.429 1.987 40 0 DDABHN Cn1cc(N2CC[C@H]3CN(Cc4cccnc4)C[C@H]3C2=O)cn1 ZINC000107254583 407371456 /nfs/dbraw/zinc/37/14/56/407371456.db2.gz MVCKRQMVDQOPSS-GOEBONIOSA-N 0 3 311.389 1.300 40 0 DDABHN Cc1c(CN2CCN(C)C[C@H](C(N)=O)C2)[nH]c2ccc(F)cc12 ZINC000257220614 407498931 /nfs/dbraw/zinc/49/89/31/407498931.db2.gz DLMFQSLCWBNUJG-LBPRGKRZSA-N 0 3 318.396 1.464 40 0 DDABHN COCCN1CCC[C@@H](c2cncc(-c3cnn(C)c3)n2)C1 ZINC000257226776 407504263 /nfs/dbraw/zinc/50/42/63/407504263.db2.gz FMCGDLSPQJSHRI-CYBMUJFWSA-N 0 3 301.394 1.703 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1O ZINC000257228139 407507761 /nfs/dbraw/zinc/50/77/61/407507761.db2.gz FSMQHSPWUAKHME-VXGBXAGGSA-N 0 3 302.296 1.452 40 0 DDABHN COc1ccccc1[C@H]1CNCCN1C(=O)Cc1c[nH]cn1 ZINC000257332715 407532554 /nfs/dbraw/zinc/53/25/54/407532554.db2.gz XYJDCQKFZZJJDK-CQSZACIVSA-N 0 3 300.362 1.134 40 0 DDABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)Cn1cccn1 ZINC000257325458 407533176 /nfs/dbraw/zinc/53/31/76/407533176.db2.gz WSZSVROAMDFGQN-QSJFSLAZSA-N 0 3 302.422 1.747 40 0 DDABHN CCCC(=O)N1CCN(CCN(C)C)c2nc(C)ccc2C1 ZINC000096199020 275967579 /nfs/dbraw/zinc/96/75/79/275967579.db2.gz ZSYPKHVNHKLZKY-UHFFFAOYSA-N 0 3 304.438 1.900 40 0 DDABHN CCCNC(=O)c1[nH]nc2c1COC[C@]21CCN(C(C)C)C1 ZINC000306136033 276265764 /nfs/dbraw/zinc/26/57/64/276265764.db2.gz PHAGOJZPFLDBRY-MRXNPFEDSA-N 0 3 306.410 1.432 40 0 DDABHN CNC(=O)[C@H]1CN(C)CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000257302113 277253532 /nfs/dbraw/zinc/25/35/32/277253532.db2.gz SBPOEGGISSFOBU-JTQLQIEISA-N 0 3 316.327 1.214 40 0 DDABHN Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)N)CC1(CCOCC1)O2 ZINC000012337517 281086890 /nfs/dbraw/zinc/08/68/90/281086890.db2.gz WBXSWGUVHAYREP-OCCSQVGLSA-N 0 3 304.390 1.831 40 0 DDABHN CC(C)(C)OC(=O)N1CCC[C@@H](CN(C(=O)CN)C2CC2)C1 ZINC000079391158 185168266 /nfs/dbraw/zinc/16/82/66/185168266.db2.gz AITCCNADPFYHEV-GFCCVEGCSA-N 0 3 311.426 1.583 40 0 DDABHN C[C@H](N)C(=O)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393049 185169016 /nfs/dbraw/zinc/16/90/16/185169016.db2.gz ZOLDVVHTTMHQJL-ZFWWWQNUSA-N 0 3 319.405 1.499 40 0 DDABHN NC(=O)c1cccc(-c2nccc([C@H]3CCCN3CCO)n2)c1 ZINC000072355777 191130144 /nfs/dbraw/zinc/13/01/44/191130144.db2.gz DUIRQDLLRMISAS-OAHLLOKOSA-N 0 3 312.373 1.372 40 0 DDABHN Cc1nccn1CCN(C)c1cc([C@H]2CNCCO2)nc(C)n1 ZINC000072387090 191145086 /nfs/dbraw/zinc/14/50/86/191145086.db2.gz CBYLGYMTUFTZBK-OAHLLOKOSA-N 0 3 316.409 1.087 40 0 DDABHN CCCCCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000006597422 352118394 /nfs/dbraw/zinc/11/83/94/352118394.db2.gz KYXJACXWXBTUCZ-UHFFFAOYSA-N 0 3 321.421 1.872 40 0 DDABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ncccc3c2)[C@@H]1O ZINC000585290807 354824878 /nfs/dbraw/zinc/82/48/78/354824878.db2.gz GNQXBJGQPCMCGN-ZACQAIPSSA-N 0 3 302.374 1.441 40 0 DDABHN COC(=O)[C@@H]1CCCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000255187831 284010736 /nfs/dbraw/zinc/01/07/36/284010736.db2.gz HAWFJOPCIMCWLG-CHWSQXEVSA-N 0 3 312.410 1.881 40 0 DDABHN Cc1ccc(N(C)[C@@H]2CC[C@@H]3CN(Cc4cncnc4)C[C@H]23)nn1 ZINC000257335072 203058294 /nfs/dbraw/zinc/05/82/94/203058294.db2.gz YIOGXZLBKNSRQM-IXDOHACOSA-N 0 3 324.432 1.922 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@]1(CN)CO ZINC000242495507 257120333 /nfs/dbraw/zinc/12/03/33/257120333.db2.gz GGJUAAZIIXMRGQ-UPJWGTAASA-N 0 3 303.811 1.178 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@]1(CN)COC ZINC000242437508 257120752 /nfs/dbraw/zinc/12/07/52/257120752.db2.gz CDXPMXLRYGCAKL-MCIONIFRSA-N 0 3 301.383 1.318 40 0 DDABHN CCOC[C@H]1CN(CCN2CCCCC2)Cc2ncn(C)c21 ZINC000096068628 286181193 /nfs/dbraw/zinc/18/11/93/286181193.db2.gz CZPBQRDYSOEBTH-OAHLLOKOSA-N 0 3 306.454 1.842 40 0 DDABHN CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1ccco1)CC2 ZINC000096219758 407251687 /nfs/dbraw/zinc/25/16/87/407251687.db2.gz NHHIDXYXNZWRNY-HNNXBMFYSA-N 0 3 321.421 1.922 40 0 DDABHN Cn1cc(CN2CCc3ncnc(NC4CCC4)c3CC2)cn1 ZINC000096255753 407256955 /nfs/dbraw/zinc/25/69/55/407256955.db2.gz XVZFXHRGICFLNQ-UHFFFAOYSA-N 0 3 312.421 1.775 40 0 DDABHN Cc1ccc(CN2CC[C@@]3(CCN(c4cnn(C)c4)C3=O)C2)o1 ZINC000096050520 407228088 /nfs/dbraw/zinc/22/80/88/407228088.db2.gz GLWHDZBLJCSKSE-QGZVFWFLSA-N 0 3 314.389 1.951 40 0 DDABHN CC(C)NC(=O)[C@@H]1CN(Cc2cnn(C)c2)CC12CCOCC2 ZINC000096052093 407228098 /nfs/dbraw/zinc/22/80/98/407228098.db2.gz JKZNHVNGVUDOJQ-HNNXBMFYSA-N 0 3 320.437 1.173 40 0 DDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCO1 ZINC000096065257 407232865 /nfs/dbraw/zinc/23/28/65/407232865.db2.gz JOUIEXJQKWWLQL-KFWWJZLASA-N 0 3 306.362 1.138 40 0 DDABHN Cn1cc(CN2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cn1 ZINC000096159504 407241113 /nfs/dbraw/zinc/24/11/13/407241113.db2.gz XHQFTZDVVXFBQN-KRWDZBQOSA-N 0 3 311.389 1.444 40 0 DDABHN CN1CCC(N2C[C@@H]3C[C@H]2C(=O)Nc2ccccc2O3)CC1 ZINC000225479967 407591211 /nfs/dbraw/zinc/59/12/11/407591211.db2.gz YTMAASLXGAUPDW-ZFWWWQNUSA-N 0 3 301.390 1.555 40 0 biogenic,in-vitro DDABHN O=C(c1ccc2c(c1)CCCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257249111 407516801 /nfs/dbraw/zinc/51/68/01/407516801.db2.gz JGWBGNIJSXCEPX-QZTJIDSGSA-N 0 3 314.429 1.847 40 0 DDABHN O=S(=O)(C1CCCCC1)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257248676 407517002 /nfs/dbraw/zinc/51/70/02/407517002.db2.gz JESUSJJBFUBNJH-HNNXBMFYSA-N 0 3 316.467 1.182 40 0 DDABHN CN(CC(=O)N1CC[C@@H]2[C@H](C1)CCCC(=O)N2C)C1CCCC1 ZINC000257254592 407520046 /nfs/dbraw/zinc/52/00/46/407520046.db2.gz KDUKUPDFASXCLC-GOEBONIOSA-N 0 3 321.465 1.720 40 0 DDABHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 ZINC000079391171 277201402 /nfs/dbraw/zinc/20/14/02/277201402.db2.gz HJYWOEQQOMDQGK-CHWSQXEVSA-N 0 3 311.426 1.772 40 0 DDABHN O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCN(CCO)C1 ZINC000079411225 185169899 /nfs/dbraw/zinc/16/98/99/185169899.db2.gz YFXVXJRMEUNTHG-MRXNPFEDSA-N 0 3 304.390 1.854 40 0 DDABHN Cn1cc(CN2C[C@H]3Cn4c(-c5cccnc5)cnc4[C@@H]3C2)cn1 ZINC000306129630 231085552 /nfs/dbraw/zinc/08/55/52/231085552.db2.gz IIOCTURXICWQCJ-JKSUJKDBSA-N 0 3 320.400 1.908 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393232 185168688 /nfs/dbraw/zinc/16/86/88/185168688.db2.gz KKCPMPUDECUYNY-CABCVRRESA-N 0 3 319.405 1.497 40 0 DDABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1coc2ccccc2c1=O ZINC000072324829 191123224 /nfs/dbraw/zinc/12/32/24/191123224.db2.gz FHHUJWKASGMLKV-VHDGCEQUSA-N 0 3 314.385 1.432 40 0 DDABHN O=C(C[C@]1(COc2ccccc2)CNCCO1)N1CCCCC1 ZINC000585271595 354818693 /nfs/dbraw/zinc/81/86/93/354818693.db2.gz HYTXZCPZZLWBIT-GOSISDBHSA-N 0 3 318.417 1.827 40 0 DDABHN OC1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585284335 354823015 /nfs/dbraw/zinc/82/30/15/354823015.db2.gz HJKPEUWIWFZHGV-GVDBMIGSSA-N 0 3 309.381 1.943 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000063526862 184284974 /nfs/dbraw/zinc/28/49/74/184284974.db2.gz SKXSKLVLSIALGI-HZPDHXFCSA-N 0 3 308.385 1.681 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)C1(CN)CN ZINC000218373759 257130833 /nfs/dbraw/zinc/13/08/33/257130833.db2.gz YLZCHGYBXIGPRL-NWDGAFQWSA-N 0 3 302.827 1.144 40 0 DDABHN C[C@]12CN(C[C@@H]3CCOC3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395018 406881631 /nfs/dbraw/zinc/88/16/31/406881631.db2.gz VRUPCYKPXRNLEA-PNPHSEOMSA-N 0 3 314.385 1.340 40 0 DDABHN c1cnc(N2CCO[C@H]3[C@H](OCCN4CCCC4)CC[C@@H]32)nc1 ZINC000096041622 407225237 /nfs/dbraw/zinc/22/52/37/407225237.db2.gz MDHXCBCCIRTTGE-ARFHVFGLSA-N 0 3 318.421 1.325 40 0 DDABHN Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)s1 ZINC000096055805 407229024 /nfs/dbraw/zinc/22/90/24/407229024.db2.gz WXOYFSKDEIQQBJ-CABCVRRESA-N 0 3 307.463 1.793 40 0 DDABHN O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21 ZINC000096056239 407229940 /nfs/dbraw/zinc/22/99/40/407229940.db2.gz AZAHQBRAPWXYIG-HRCADAONSA-N 0 3 304.390 1.739 40 0 DDABHN O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21)N1CCCO1 ZINC000096058299 407231052 /nfs/dbraw/zinc/23/10/52/407231052.db2.gz AAXLYZQBFCURSW-OWCLPIDISA-N 0 3 320.389 1.671 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)Cc3ccc(F)cc3)C[C@@H]2C1 ZINC000096107961 407237592 /nfs/dbraw/zinc/23/75/92/407237592.db2.gz NXZUBQRDJWYWPI-GOEBONIOSA-N 0 3 306.381 1.547 40 0 DDABHN CN(C)CCOC[C@H]1Cn2nccc2CN(Cc2ccoc2)C1 ZINC000096188957 407246581 /nfs/dbraw/zinc/24/65/81/407246581.db2.gz DZAGDDQGTJKPFN-MRXNPFEDSA-N 0 3 318.421 1.686 40 0 DDABHN CC(C)N(C)Cc1cnc2n1CCN(C[C@@H]1CCOC1)CC2 ZINC000096196846 407246819 /nfs/dbraw/zinc/24/68/19/407246819.db2.gz CAWKZGDTBQZWFY-HNNXBMFYSA-N 0 3 306.454 1.618 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@H](NCc1ccco1)C2 ZINC000096189656 407246897 /nfs/dbraw/zinc/24/68/97/407246897.db2.gz UZXBVKOQISTBGC-AWEZNQCLSA-N 0 3 302.374 1.735 40 0 DDABHN COCCN1CCCC2(CCN(Cc3cnn(C)c3)CC2)C1=O ZINC000108524326 407387115 /nfs/dbraw/zinc/38/71/15/407387115.db2.gz KFYNYIZZNAQTFD-UHFFFAOYSA-N 0 3 320.437 1.271 40 0 DDABHN Cn1cncc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108535725 407387841 /nfs/dbraw/zinc/38/78/41/407387841.db2.gz NIDQVABYGPPTRP-SJLPKXTDSA-N 0 3 316.449 1.939 40 0 DDABHN COc1ccc([C@@H]2CNCCN2C(=O)CN2CCCC2)cc1 ZINC000257201608 407491422 /nfs/dbraw/zinc/49/14/22/407491422.db2.gz AIHUJJXAEAXMJY-INIZCTEOSA-N 0 3 303.406 1.264 40 0 DDABHN NCC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000257233090 407510157 /nfs/dbraw/zinc/51/01/57/407510157.db2.gz GNTAYNXGLGOVLY-OWCLPIDISA-N 0 3 315.417 1.216 40 0 DDABHN CCCS(=O)(=O)N1CCO[C@@H](c2cc(NC)cc(C)n2)C1 ZINC000257250046 407517527 /nfs/dbraw/zinc/51/75/27/407517527.db2.gz JKTOBKBNSIRDDN-CQSZACIVSA-N 0 3 313.423 1.545 40 0 DDABHN Cc1cc(C(=O)N(C)CCN(C)C)nc([C@H]2CCCN2C)n1 ZINC000257271349 407529156 /nfs/dbraw/zinc/52/91/56/407529156.db2.gz MXYGFGXFTARKFT-CQSZACIVSA-N 0 3 305.426 1.185 40 0 DDABHN CCN1CCC2(CC1)c1cc(C(=O)NC3CC3)ccc1NC2=O ZINC000103475087 273650637 /nfs/dbraw/zinc/65/06/37/273650637.db2.gz NVHUYLPSTQZLSB-UHFFFAOYSA-N 0 3 313.401 1.884 40 0 DDABHN Cc1cccc([C@@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)c1 ZINC000022239096 281253657 /nfs/dbraw/zinc/25/36/57/281253657.db2.gz CLPHXYIMJAKNDI-CQSZACIVSA-N 0 3 305.341 1.992 40 0 DDABHN NCC(=O)NC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392818 185168481 /nfs/dbraw/zinc/16/84/81/185168481.db2.gz QCNYPKOTADMOIS-CQSZACIVSA-N 0 3 305.378 1.110 40 0 DDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393081 185168877 /nfs/dbraw/zinc/16/88/77/185168877.db2.gz VDJGRMUBMCCAKV-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN NCC(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072363188 191131781 /nfs/dbraw/zinc/13/17/81/191131781.db2.gz UYVCEIHLZCFCCU-UHFFFAOYSA-N 0 3 312.373 1.934 40 0 DDABHN CC(=O)N1CCC(N2CC[C@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000072386065 191145031 /nfs/dbraw/zinc/14/50/31/191145031.db2.gz UKDCNGMECFDUCJ-HNNXBMFYSA-N 0 3 302.422 1.894 40 0 DDABHN C[C@H](c1ccccc1F)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004504516 181117142 /nfs/dbraw/zinc/11/71/42/181117142.db2.gz OHGIJASVRJKUBP-LLVKDONJSA-N 0 3 305.357 1.318 40 0 DDABHN CC1(C)C[C@H]2[C@H](CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)O1 ZINC000585285939 354823931 /nfs/dbraw/zinc/82/39/31/354823931.db2.gz UPFKXBZHIBGCFZ-JYJNAYRXSA-N 0 3 318.417 1.821 40 0 DDABHN CNCC(=O)N1Cc2nccn2C[C@@H]1c1ccccc1OC ZINC000257270669 203000238 /nfs/dbraw/zinc/00/02/38/203000238.db2.gz MVEVGTOTUQXMPY-CYBMUJFWSA-N 0 3 300.362 1.195 40 0 DDABHN COCCN1CCC(c2cnc(N3C[C@H](C)OC3=O)cn2)CC1 ZINC000257253925 202985302 /nfs/dbraw/zinc/98/53/02/202985302.db2.gz KAWPVHCYTJKFHH-LBPRGKRZSA-N 0 3 320.393 1.648 40 0 DDABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1c1nnc2n1CCNCC2 ZINC000257294710 203018339 /nfs/dbraw/zinc/01/83/39/203018339.db2.gz QVIXXYNUVUXDNL-GFCCVEGCSA-N 0 3 321.425 1.886 40 0 DDABHN Cc1cc(C)nc([C@@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 ZINC000257329797 203052842 /nfs/dbraw/zinc/05/28/42/203052842.db2.gz XLOPQMQJSNGJMW-ZDUSSCGKSA-N 0 3 304.394 1.265 40 0 DDABHN Cc1ncc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cn1 ZINC000019287264 182112643 /nfs/dbraw/zinc/11/26/43/182112643.db2.gz MUSCTHXPZIMTKN-JZXOWHBKSA-N 0 3 310.401 1.910 40 0 DDABHN CCC(CC)C(=O)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019500100 182126261 /nfs/dbraw/zinc/12/62/61/182126261.db2.gz ZEWOWDGIFXQRJY-ZDUSSCGKSA-N 0 3 302.422 1.874 40 0 DDABHN c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1 ZINC000020141546 182191788 /nfs/dbraw/zinc/19/17/88/182191788.db2.gz FYZCOWVJKKSEFR-UHFFFAOYSA-N 0 3 316.409 1.375 40 0 DDABHN CN(C)CCNC(=O)c1cccc(I)c1 ZINC000042200325 183241817 /nfs/dbraw/zinc/24/18/17/183241817.db2.gz OKVJRGIDRVJCRY-UHFFFAOYSA-N 0 3 318.158 1.583 40 0 DDABHN C[C@@H](Oc1ccccc1)C(=O)NCCCN1CCN(C)CC1 ZINC000061523868 184172658 /nfs/dbraw/zinc/17/26/58/184172658.db2.gz OJROOLGUDCHHIY-OAHLLOKOSA-N 0 3 305.422 1.208 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000252515074 257106274 /nfs/dbraw/zinc/10/62/74/257106274.db2.gz GWSINPKOOKHISK-MGPQQGTHSA-N 0 3 317.838 1.832 40 0 DDABHN Cc1nn(CCC(=O)NCCN(C)C)c(C)c1Br ZINC000002782502 406700997 /nfs/dbraw/zinc/70/09/97/406700997.db2.gz UHEBEAYAYCLJRC-UHFFFAOYSA-N 0 3 317.231 1.330 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(F)ccc1C ZINC000073743110 406892793 /nfs/dbraw/zinc/89/27/93/406892793.db2.gz SNPQPSRDUYIPEP-CYBMUJFWSA-N 0 3 307.369 1.673 40 0 DDABHN O=C1NCCN(CC2CC2)C12CCN(Cc1ccco1)CC2 ZINC000096230188 407253939 /nfs/dbraw/zinc/25/39/39/407253939.db2.gz LNZBWFBMMMMJBI-UHFFFAOYSA-N 0 3 303.406 1.456 40 0 DDABHN O=C1C[C@H]2[C@H](CCN2Cc2cccs2)N1c1cncnc1 ZINC000096245933 407255651 /nfs/dbraw/zinc/25/56/51/407255651.db2.gz DWLWZAIODHQHLR-KBPBESRZSA-N 0 3 300.387 1.918 40 0 DDABHN O=C(c1ccccn1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096246129 407255917 /nfs/dbraw/zinc/25/59/17/407255917.db2.gz ONQXSEBPCILPHD-XHSDSOJGSA-N 0 3 315.417 1.655 40 0 DDABHN CC(=O)N1CCO[C@@]2(CCCN(CCc3ccccc3)C2)C1 ZINC000096268775 407258055 /nfs/dbraw/zinc/25/80/55/407258055.db2.gz NENNCQDERNCTKY-GOSISDBHSA-N 0 3 302.418 1.942 40 0 DDABHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)N1CCCC1 ZINC000096041676 407225691 /nfs/dbraw/zinc/22/56/91/407225691.db2.gz SCNPUGOEHIISAH-ZMSDIMECSA-N 0 3 308.422 1.267 40 0 DDABHN COCCNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096057483 407231149 /nfs/dbraw/zinc/23/11/49/407231149.db2.gz IYKHOZRQGCJVKE-RBSFLKMASA-N 0 3 324.446 1.633 40 0 DDABHN O=C(Nc1cccnc1)[C@@H]1C[C@@H]2CCN(CC3CC3)C[C@@H]2O1 ZINC000096065495 407232895 /nfs/dbraw/zinc/23/28/95/407232895.db2.gz IRFDCPAXGRCDBV-BPUTZDHNSA-N 0 3 301.390 1.910 40 0 DDABHN CNC(=O)CN1CCCC12CCN(Cc1cccnc1)CC2 ZINC000096075247 407234771 /nfs/dbraw/zinc/23/47/71/407234771.db2.gz VVLVHDPHLTVJOV-UHFFFAOYSA-N 0 3 302.422 1.258 40 0 DDABHN COCCN1CCC2(CC1)CN(C(=O)c1cccs1)CCO2 ZINC000096158931 407241840 /nfs/dbraw/zinc/24/18/40/407241840.db2.gz NJANOUILJOQITF-UHFFFAOYSA-N 0 3 324.446 1.702 40 0 DDABHN Cn1cc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)cn1 ZINC000096207899 407250579 /nfs/dbraw/zinc/25/05/79/407250579.db2.gz GHELQGXOKTWKLN-IAGOWNOFSA-N 0 3 305.422 1.685 40 0 DDABHN Cn1cc(N2CC[C@H]3CN(Cc4ccccn4)C[C@H]3C2=O)cn1 ZINC000107254591 407371830 /nfs/dbraw/zinc/37/18/30/407371830.db2.gz COJKDCRZHCVKCZ-XJKSGUPXSA-N 0 3 311.389 1.300 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccnnc3)CCO2)c1 ZINC000257215804 407499920 /nfs/dbraw/zinc/49/99/20/407499920.db2.gz CRTGLIJCPBPCNV-HNNXBMFYSA-N 0 3 313.361 1.435 40 0 DDABHN CNc1cc([C@H]2CCCN2CC2(O)CCOCC2)nc(C)n1 ZINC000257217896 407500929 /nfs/dbraw/zinc/50/09/29/407500929.db2.gz DBAQFGMDDQOFHC-CQSZACIVSA-N 0 3 306.410 1.505 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)CO ZINC000218413075 407518121 /nfs/dbraw/zinc/51/81/21/407518121.db2.gz GGJUAAZIIXMRGQ-FRRDWIJNSA-N 0 3 303.811 1.178 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218521198 407518398 /nfs/dbraw/zinc/51/83/98/407518398.db2.gz ZUJZVZIEQXDYDF-IHRRRGAJSA-N 0 3 301.383 1.318 40 0 DDABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 ZINC000257267421 407531043 /nfs/dbraw/zinc/53/10/43/407531043.db2.gz MHGHEBHRZWDETL-OAHLLOKOSA-N 0 3 312.373 1.889 40 0 DDABHN CN(CC(=O)N1CCO[C@@H](c2cccc(N)n2)C1)C1CCCC1 ZINC000257324975 407532615 /nfs/dbraw/zinc/53/26/15/407532615.db2.gz WQZLGOCIVAXYKD-OAHLLOKOSA-N 0 3 318.421 1.438 40 0 DDABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccoc3)CC[C@H]21 ZINC000247987914 408521317 /nfs/dbraw/zinc/52/13/17/408521317.db2.gz KXIXCDJGBOTPFK-CVEARBPZSA-N 0 3 321.421 1.147 40 0 DDABHN CS(=O)(=O)N1CCO[C@H]2CCN(C[C@@H]3CC=CCC3)C[C@@H]21 ZINC000306123564 409773216 /nfs/dbraw/zinc/77/32/16/409773216.db2.gz AQIFIFHENHMZBS-ILXRZTDVSA-N 0 3 314.451 1.077 40 0 DDABHN C[C@@]1(NCCNCc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575423083 422297874 /nfs/dbraw/zinc/29/78/74/422297874.db2.gz XZQANLRJKPZLFV-CQSZACIVSA-N 0 3 300.399 1.082 40 0 DDABHN CC(=O)NCc1cncc([C@H]2CCCN2C2CCOCC2)n1 ZINC000072355769 277038177 /nfs/dbraw/zinc/03/81/77/277038177.db2.gz UPAYYXVMHUIOOI-MRXNPFEDSA-N 0 3 304.394 1.429 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000096249563 277121922 /nfs/dbraw/zinc/12/19/22/277121922.db2.gz GVCWUZOHJPDUCJ-HZPDHXFCSA-N 0 3 303.406 1.549 40 0 DDABHN COc1cc(N2CC[C@H](CN)S2(=O)=O)c(OC)cc1Cl ZINC000260759555 333605988 /nfs/dbraw/zinc/60/59/88/333605988.db2.gz GUNOIZCIMMCYCV-MRVPVSSYSA-N 0 3 320.798 1.224 40 0 DDABHN COCCN(C)C(=O)c1cc(C)nc(C2CCN(C)CC2)n1 ZINC000072365681 191134495 /nfs/dbraw/zinc/13/44/95/191134495.db2.gz OURVYWNCTFBZJP-UHFFFAOYSA-N 0 3 306.410 1.313 40 0 DDABHN CNc1ccc(C[C@H]2CCCN(c3cc(N)nc(C)n3)C2)nn1 ZINC000072387361 191145102 /nfs/dbraw/zinc/14/51/02/191145102.db2.gz WYCAFHVQLSIUHA-GFCCVEGCSA-N 0 3 313.409 1.658 40 0 DDABHN Cc1c(CN2Cc3ccnn3CC[C@@H]2CN(C)C)cnn1C ZINC000585096957 354804616 /nfs/dbraw/zinc/80/46/16/354804616.db2.gz FZAVBLPMJWOLFJ-OAHLLOKOSA-N 0 3 302.426 1.261 40 0 DDABHN COCCN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104385 354808056 /nfs/dbraw/zinc/80/80/56/354808056.db2.gz LQANLTGJPBWANZ-KRWDZBQOSA-N 0 3 322.380 1.527 40 0 DDABHN CN(C)Cc1cnc([C@H]2CN(Cc3ccccn3)CCO2)[nH]1 ZINC000257316295 203039862 /nfs/dbraw/zinc/03/98/62/203039862.db2.gz VEZDJMIWSYJNGB-OAHLLOKOSA-N 0 3 301.394 1.440 40 0 DDABHN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1cccnc1)CC2 ZINC000257316015 203041223 /nfs/dbraw/zinc/04/12/23/203041223.db2.gz VDTMVZYONLFLGV-KRWDZBQOSA-N 0 3 317.433 1.667 40 0 DDABHN O=C(c1ccccn1)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019399930 182121381 /nfs/dbraw/zinc/12/13/81/182121381.db2.gz DANVAIIMMOYLDR-UHFFFAOYSA-N 0 3 323.400 1.537 40 0 DDABHN CCN1CCN(CCCOc2ccc(C=O)cc2OC)CC1 ZINC000019798142 182150887 /nfs/dbraw/zinc/15/08/87/182150887.db2.gz CPDYZJALVUFVIK-UHFFFAOYSA-N 0 3 306.406 1.914 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C1(CN)CN ZINC000218374991 257130667 /nfs/dbraw/zinc/13/06/67/257130667.db2.gz QQRFFSGSVLZIJO-VXGBXAGGSA-N 0 3 302.827 1.144 40 0 DDABHN NC[C@@H]1CCN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000222538226 407558908 /nfs/dbraw/zinc/55/89/08/407558908.db2.gz VXTQNKVQTQQBRN-NSHDSACASA-N 0 3 319.224 1.312 40 0 DDABHN C[C@H](N)C(=O)N1CCC(N(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000079409903 407054893 /nfs/dbraw/zinc/05/48/93/407054893.db2.gz FXLVZTYYXOTFTD-NSHDSACASA-N 0 3 311.426 1.724 40 0 DDABHN COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096208618 407251314 /nfs/dbraw/zinc/25/13/14/407251314.db2.gz AXJNUJZNUOGIAN-OAHLLOKOSA-N 0 3 306.381 1.800 40 0 DDABHN Cn1ccnc1CN1CC[C@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000096249311 407255768 /nfs/dbraw/zinc/25/57/68/407255768.db2.gz FKIFHMHNOSPOFO-JKSUJKDBSA-N 0 3 304.438 1.495 40 0 DDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 ZINC000096038690 407224348 /nfs/dbraw/zinc/22/43/48/407224348.db2.gz QTKOAOWBLMWKRI-GDBMZVCRSA-N 0 3 307.394 1.361 40 0 DDABHN c1cc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)ccn1 ZINC000096058653 407230911 /nfs/dbraw/zinc/23/09/11/407230911.db2.gz QTSMQTTVMRLMFG-OAHLLOKOSA-N 0 3 310.401 1.976 40 0 DDABHN COCCn1cc2c(n1)[C@@H](CNCc1ccncc1)OCC2 ZINC000096059705 407231905 /nfs/dbraw/zinc/23/19/05/407231905.db2.gz KETNWPLHKFXKBZ-OAHLLOKOSA-N 0 3 302.378 1.328 40 0 DDABHN COCC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096100143 407236833 /nfs/dbraw/zinc/23/68/33/407236833.db2.gz GMULQVDQODBKIN-KRWDZBQOSA-N 0 3 303.406 1.543 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1)CC[C@H]2OC ZINC000096110980 407238778 /nfs/dbraw/zinc/23/87/78/407238778.db2.gz ZBFGLHZHHUEPLY-GVDBMIGSSA-N 0 3 318.417 1.494 40 0 DDABHN c1csc(CN2CCc3ncc(CN4CCCC4)n3CC2)n1 ZINC000096196853 407246343 /nfs/dbraw/zinc/24/63/43/407246343.db2.gz LQHCPAGQMUARRB-UHFFFAOYSA-N 0 3 317.462 1.994 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccoc2)[C@H]1Cc1cnn(C)c1 ZINC000096200904 407248682 /nfs/dbraw/zinc/24/86/82/407248682.db2.gz OKZPINLZFIWDKQ-CABCVRRESA-N 0 3 302.378 1.401 40 0 DDABHN CS(=O)(=O)N1CCO[C@H]2CCN(C[C@H]3CC=CCC3)C[C@@H]21 ZINC000108526839 407386754 /nfs/dbraw/zinc/38/67/54/407386754.db2.gz AQIFIFHENHMZBS-KKUMJFAQSA-N 0 3 314.451 1.077 40 0 DDABHN Cc1nn(C)cc1CN1CCC2(CC(NC(=O)N(C)C)C2)CC1 ZINC000108526172 407386801 /nfs/dbraw/zinc/38/68/01/407386801.db2.gz WUQAMZSBXUKZIT-UHFFFAOYSA-N 0 3 319.453 1.744 40 0 DDABHN COc1ccc2c(c1)CCN(c1cc(NCCO)nc(C)n1)C2 ZINC000329008511 410048998 /nfs/dbraw/zinc/04/89/98/410048998.db2.gz LRTWMYIZJCVNTO-UHFFFAOYSA-N 0 3 314.389 1.761 40 0 DDABHN C[C@]1(NCCNCc2cccc(F)c2)CCS(=O)(=O)C1 ZINC000575423070 422297422 /nfs/dbraw/zinc/29/74/22/422297422.db2.gz XZQANLRJKPZLFV-AWEZNQCLSA-N 0 3 300.399 1.082 40 0 DDABHN CC(C)N(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409298 277571552 /nfs/dbraw/zinc/57/15/52/277571552.db2.gz YGHMRROJVSZURX-ZDUSSCGKSA-N 0 3 313.442 1.829 40 0 DDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1ccncc1)C2)[C@H]3O ZINC000257206909 290318052 /nfs/dbraw/zinc/31/80/52/290318052.db2.gz BFLFKRLWHZXEKL-FDPKGLCPSA-N 0 3 315.417 1.387 40 0 DDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218023018 484146129 /nfs/dbraw/zinc/14/61/29/484146129.db2.gz VJIVNVRXMXWSGF-YDHLFZDLSA-N 0 3 311.403 1.095 40 0 DDABHN NCC(=O)N(C1CC1)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392979 185168406 /nfs/dbraw/zinc/16/84/06/185168406.db2.gz BOGMAWYXBSOEML-HNNXBMFYSA-N 0 3 317.389 1.347 40 0 DDABHN C[C@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O ZINC000012146844 352145967 /nfs/dbraw/zinc/14/59/67/352145967.db2.gz HDWPFWHTOXHISQ-LRDDRELGSA-N 0 3 324.446 1.526 40 0 DDABHN CN(C)C(=O)CN1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099624 354807299 /nfs/dbraw/zinc/80/72/99/354807299.db2.gz SLIYQVMTVIDNIN-SFHVURJKSA-N 0 3 321.465 1.579 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCCc2ccccn2)c1 ZINC000257233919 202966825 /nfs/dbraw/zinc/96/68/25/202966825.db2.gz GRJDCDOVPHMVMP-UHFFFAOYSA-N 0 3 321.384 1.699 40 0 DDABHN O=c1[nH]c(C2CCN([C@H]3COC[C@H]3O)CC2)cc2ccccc21 ZINC000257298384 203022701 /nfs/dbraw/zinc/02/27/01/203022701.db2.gz RLKPRAWXWOIAMP-DLBZAZTESA-N 0 3 314.385 1.880 40 0 DDABHN NC(=O)CN1CCCC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC000257342261 203065921 /nfs/dbraw/zinc/06/59/21/203065921.db2.gz ZNVAPTZARUJNOS-JKSUJKDBSA-N 0 3 315.417 1.489 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cccnc1 ZINC000019575979 182131410 /nfs/dbraw/zinc/13/14/10/182131410.db2.gz WYIMZPPFHCMAKZ-BMGDILEWSA-N 0 3 312.417 1.512 40 0 DDABHN Cc1ccc(C)c(CC(=O)NCCCN2CCN(C)CC2)c1 ZINC000020481163 182222548 /nfs/dbraw/zinc/22/25/48/182222548.db2.gz DRNLEXCUHBDQON-UHFFFAOYSA-N 0 3 303.450 1.600 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]1(CN)COC ZINC000252514986 257106584 /nfs/dbraw/zinc/10/65/84/257106584.db2.gz FQJUQKKVUJOQFL-MCIONIFRSA-N 0 3 317.838 1.832 40 0 DDABHN COc1cccc(OC[C@H](O)CN2CCC(CCO)CC2)c1 ZINC000002674970 406695416 /nfs/dbraw/zinc/69/54/16/406695416.db2.gz XQGRTLOKWCSQKH-OAHLLOKOSA-N 0 3 309.406 1.529 40 0 DDABHN Cc1cccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c12 ZINC000004131196 406723381 /nfs/dbraw/zinc/72/33/81/406723381.db2.gz XKLYWFVKVQBUTI-UHFFFAOYSA-N 0 3 315.417 1.648 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C ZINC000073743082 406892655 /nfs/dbraw/zinc/89/26/55/406892655.db2.gz MHQOESQNTIUZOP-CYBMUJFWSA-N 0 3 307.369 1.673 40 0 DDABHN Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccncc4)CC[C@H]32)o1 ZINC000096208203 407251263 /nfs/dbraw/zinc/25/12/63/407251263.db2.gz MMIVCQUAEJVPLZ-OAGGEKHMSA-N 0 3 314.389 1.853 40 0 DDABHN COCCNC(=O)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096038855 407224530 /nfs/dbraw/zinc/22/45/30/407224530.db2.gz YSIHEZZGRZLJRS-RRFJBIMHSA-N 0 3 324.446 1.348 40 0 DDABHN CC(C)NC(=O)[C@H]1CN(Cc2cnn(C)c2)CC12CCOCC2 ZINC000096052094 407228021 /nfs/dbraw/zinc/22/80/21/407228021.db2.gz JKZNHVNGVUDOJQ-OAHLLOKOSA-N 0 3 320.437 1.173 40 0 DDABHN c1cncc(CO[C@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)c1 ZINC000096055042 407229380 /nfs/dbraw/zinc/22/93/80/407229380.db2.gz PZASUWAVVOYLQC-OALUTQOASA-N 0 3 324.428 1.952 40 0 DDABHN c1cc(CN2CC[C@H]3[C@H](CN4CCOCC4)OC[C@H]3C2)cs1 ZINC000096056210 407229844 /nfs/dbraw/zinc/22/98/44/407229844.db2.gz VVDSAROEZQYYQN-ZACQAIPSSA-N 0 3 322.474 1.917 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccccn3)C[C@H]21)NC1CC1 ZINC000096057283 407231185 /nfs/dbraw/zinc/23/11/85/407231185.db2.gz FXPXARQPKCLKJH-CPUCHLNUSA-N 0 3 315.417 1.445 40 0 DDABHN CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)O1 ZINC000096061126 407231854 /nfs/dbraw/zinc/23/18/54/407231854.db2.gz KMOIFIGUUNAPEC-CQSZACIVSA-N 0 3 306.410 1.022 40 0 DDABHN CN1C(=O)C[C@@H](c2ccncc2)C12CCN([C@H]1CCOC1)CC2 ZINC000096069805 407233737 /nfs/dbraw/zinc/23/37/37/407233737.db2.gz PCUQNZOMERBBOM-HOTGVXAUSA-N 0 3 315.417 1.651 40 0 DDABHN Cc1ccc(CN2CCC3(C[C@H]3CNS(C)(=O)=O)CC2)o1 ZINC000096077330 407234670 /nfs/dbraw/zinc/23/46/70/407234670.db2.gz SJOPVJSPKFXPPG-ZDUSSCGKSA-N 0 3 312.435 1.739 40 0 DDABHN CC(C)CN1CCO[C@@H]2CCN(C(=O)c3csnn3)CC[C@@H]21 ZINC000096082184 407235911 /nfs/dbraw/zinc/23/59/11/407235911.db2.gz ZVPMVFAQJZGERK-UONOGXRCSA-N 0 3 324.450 1.500 40 0 DDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1cccnc1)C2)C1CCC1 ZINC000096108428 407238084 /nfs/dbraw/zinc/23/80/84/407238084.db2.gz JNDZGSYPUFXAFP-AEFFLSMTSA-N 0 3 315.417 1.446 40 0 DDABHN COc1ccc(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1Cl ZINC000096107956 407238115 /nfs/dbraw/zinc/23/81/15/407238115.db2.gz BPYXBHLQFFHLHO-SWLSCSKDSA-N 0 3 324.808 1.751 40 0 DDABHN COCCN1CCC2(CCN(Cc3ccncc3)CC2)C1=O ZINC000096157762 407241477 /nfs/dbraw/zinc/24/14/77/407241477.db2.gz BBIFSWCNDBPSFJ-UHFFFAOYSA-N 0 3 303.406 1.543 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(C(=O)c1cccs1)C2 ZINC000096202005 407249476 /nfs/dbraw/zinc/24/94/76/407249476.db2.gz BHJUZMCBEIPZTN-MRXNPFEDSA-N 0 3 324.446 1.559 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1c(C)noc1C)CC[C@H]2OC ZINC000096208907 407250647 /nfs/dbraw/zinc/25/06/47/407250647.db2.gz NEODJBWQIONCGR-GVDBMIGSSA-N 0 3 323.437 1.459 40 0 DDABHN O=S(=O)(Cc1ccccc1)N1CC[C@](O)(CN2CCCC2)C1 ZINC000257202169 407491599 /nfs/dbraw/zinc/49/15/99/407491599.db2.gz AKTHDENHKBMWGM-INIZCTEOSA-N 0 3 324.446 1.049 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)Cc3cnc[nH]3)C2)n1 ZINC000257222829 407504090 /nfs/dbraw/zinc/50/40/90/407504090.db2.gz DUVBVDCADNLRSN-ZDUSSCGKSA-N 0 3 313.405 1.738 40 0 DDABHN COc1ccc(F)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257245217 407517872 /nfs/dbraw/zinc/51/78/72/407517872.db2.gz IONUBQHVCPCIHP-ZIAGYGMSSA-N 0 3 308.353 1.115 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(C)c1 ZINC000298114613 410120384 /nfs/dbraw/zinc/12/03/84/410120384.db2.gz QXPNBTGFDAAENA-OAHLLOKOSA-N 0 3 303.406 1.212 40 0 DDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079393060 279393223 /nfs/dbraw/zinc/39/32/23/279393223.db2.gz YCCBAQBDDAFRQG-QEJZJMRPSA-N 0 3 319.405 1.687 40 0 DDABHN CC(C)N(C)[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]2CCCO[C@H]12 ZINC000097953433 332203529 /nfs/dbraw/zinc/20/35/29/332203529.db2.gz IGRPHQXUCWOESF-BBWFWOEESA-N 0 3 306.454 1.740 40 0 DDABHN CCN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079410141 185169928 /nfs/dbraw/zinc/16/99/28/185169928.db2.gz BQXONZPLDZMMAD-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN CC(C)N(C[C@@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409785 185169489 /nfs/dbraw/zinc/16/94/89/185169489.db2.gz DGGWYHHNUCAYNN-QWHCGFSZSA-N 0 3 313.442 1.828 40 0 DDABHN NCC(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 ZINC000072382960 191142429 /nfs/dbraw/zinc/14/24/29/191142429.db2.gz KUGDXILIFOWILG-NSHDSACASA-N 0 3 303.391 1.904 40 0 DDABHN COC(=O)C1=C[C@H]2CN(Cc3ccccc3)CC[C@@H]2NC1=O ZINC000072415081 191155643 /nfs/dbraw/zinc/15/56/43/191155643.db2.gz TUJSMDKSPQSKRJ-ZFWWWQNUSA-N 0 3 300.358 1.106 40 0 DDABHN COC[C@H]1CN(CC2CC2)C2(CN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000585093999 354802860 /nfs/dbraw/zinc/80/28/60/354802860.db2.gz XQZJNTMGKOVACJ-CQSZACIVSA-N 0 3 318.421 1.291 40 0 DDABHN CO[C@H]1CN(Cc2ncccc2C)C[C@@H]1CC(=O)N1CCCC1 ZINC000585276815 354820333 /nfs/dbraw/zinc/82/03/33/354820333.db2.gz QSHREZMMNAVIHB-RDJZCZTQSA-N 0 3 317.433 1.849 40 0 DDABHN CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585291505 354826146 /nfs/dbraw/zinc/82/61/46/354826146.db2.gz PMQXHGYNADQFRM-HONMWMINSA-N 0 3 320.216 1.793 40 0 DDABHN Cc1ncc(CN2CC[C@H](c3nc(CN(C)C)c[nH]3)C2)cn1 ZINC000257306111 203029945 /nfs/dbraw/zinc/02/99/45/203029945.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 0 3 300.410 1.559 40 0 DDABHN Cc1ncc(CN2CC[C@H](c3ncc(CN(C)C)[nH]3)C2)cn1 ZINC000257306111 203029948 /nfs/dbraw/zinc/02/99/48/203029948.db2.gz SSYNGEVSXROKIT-AWEZNQCLSA-N 0 3 300.410 1.559 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1cnn(C)c1 ZINC000096061719 193514296 /nfs/dbraw/zinc/51/42/96/193514296.db2.gz BWQTXJJUEPGMME-CVEARBPZSA-N 0 3 313.405 1.203 40 0 DDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@]2(CN)COC)cc1 ZINC000242463903 257120261 /nfs/dbraw/zinc/12/02/61/257120261.db2.gz DPYHRDDCUSZRRL-BZUAXINKSA-N 0 3 311.447 1.741 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@@]1(CN)COC ZINC000218085030 257131795 /nfs/dbraw/zinc/13/17/95/257131795.db2.gz KSHXAXZOAQSFCB-RRFJBIMHSA-N 0 3 313.419 1.187 40 0 DDABHN CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)[C@@H](COC)OC ZINC000001646396 406674495 /nfs/dbraw/zinc/67/44/95/406674495.db2.gz LCUMRFCUJAIYHO-JKSUJKDBSA-N 0 3 324.421 1.797 40 0 DDABHN CCN1CCN(c2ccc(NC(=S)NC(C)=O)cc2)CC1 ZINC000006517659 406738084 /nfs/dbraw/zinc/73/80/84/406738084.db2.gz ZPOXWSQJAMMSNL-UHFFFAOYSA-N 0 3 306.435 1.661 40 0 DDABHN COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1O)N2C ZINC000013606132 406864648 /nfs/dbraw/zinc/86/46/48/406864648.db2.gz PEISRHQJLATJPJ-MMMKDXCPSA-N 0 3 319.357 1.573 40 0 in-vitro DDABHN N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000026505286 406904585 /nfs/dbraw/zinc/90/45/85/406904585.db2.gz CQGQSLDQXDUVQF-QWRGUYRKSA-N 0 3 300.380 1.475 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N(C(=O)CN)C1CC1 ZINC000079391172 407053832 /nfs/dbraw/zinc/05/38/32/407053832.db2.gz HJYWOEQQOMDQGK-QWHCGFSZSA-N 0 3 311.426 1.772 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H]1CN(C(=O)OC(C)(C)C)C1CC1 ZINC000079409862 407054601 /nfs/dbraw/zinc/05/46/01/407054601.db2.gz RAFYAKLMFRGTCO-WCQYABFASA-N 0 3 311.426 1.724 40 0 DDABHN COCCN1C(=O)CC[C@]12CCCN(Cc1cncn1C)CC2 ZINC000096217787 407251630 /nfs/dbraw/zinc/25/16/30/407251630.db2.gz RZBXFPVDCUZIMW-KRWDZBQOSA-N 0 3 320.437 1.414 40 0 DDABHN COc1ccc(CN2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cc1 ZINC000096219706 407251984 /nfs/dbraw/zinc/25/19/84/407251984.db2.gz LQKPGVQIWDUWSZ-DOTOQJQBSA-N 0 3 314.389 1.893 40 0 DDABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)N1CCC1 ZINC000096218834 407252097 /nfs/dbraw/zinc/25/20/97/407252097.db2.gz XCLIZZGHMCTRJM-RRFJBIMHSA-N 0 3 306.431 1.960 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1occc1C)CC[C@@H]2OC ZINC000096217970 407252266 /nfs/dbraw/zinc/25/22/66/407252266.db2.gz RYYRKSBUHPWIEN-ZNMIVQPWSA-N 0 3 322.405 1.396 40 0 DDABHN Cc1cccc(CN2C(=O)CCC23CCN(CCO)CC3)c1 ZINC000096228323 407254298 /nfs/dbraw/zinc/25/42/98/407254298.db2.gz KZNPHOTXXIWUPM-UHFFFAOYSA-N 0 3 302.418 1.944 40 0 DDABHN COCCN1CCC2(CCN(Cc3c(C)noc3C)CC2)C1=O ZINC000096046796 407226855 /nfs/dbraw/zinc/22/68/55/407226855.db2.gz FPWJATNITSUFMC-UHFFFAOYSA-N 0 3 321.421 1.752 40 0 DDABHN O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1cccnc1)C2 ZINC000096048708 407227446 /nfs/dbraw/zinc/22/74/46/407227446.db2.gz DXJJHPOJHWYKQG-SFHVURJKSA-N 0 3 323.400 1.891 40 0 DDABHN c1cncc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)c1 ZINC000096054379 407229249 /nfs/dbraw/zinc/22/92/49/407229249.db2.gz QXOIMBZNMFOPRT-MSOLQXFVSA-N 0 3 316.449 1.062 40 0 DDABHN Cn1ccnc1CN1CCC2(CC(N3CCOCC3)C2)CC1 ZINC000096063158 407233364 /nfs/dbraw/zinc/23/33/64/407233364.db2.gz KUPNNZSQNCXZJJ-UHFFFAOYSA-N 0 3 304.438 1.497 40 0 DDABHN O=C(c1cnn2cccnc12)N1CC[C@]2(CCN2CC2CC2)C1 ZINC000096075975 407235236 /nfs/dbraw/zinc/23/52/36/407235236.db2.gz LJRPDHDXUHKXBG-KRWDZBQOSA-N 0 3 311.389 1.430 40 0 DDABHN CN(C)CCN1CC2(CCN(Cc3ccoc3)CC2)OCC1=O ZINC000096201351 407248212 /nfs/dbraw/zinc/24/82/12/407248212.db2.gz UJFQJRUBPDDBCH-UHFFFAOYSA-N 0 3 321.421 1.035 40 0 DDABHN COCCNC(=O)C[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096206187 407249782 /nfs/dbraw/zinc/24/97/82/407249782.db2.gz FZQFZIDKKZWHLN-ZBFHGGJFSA-N 0 3 324.446 1.349 40 0 DDABHN CN1CC2(C[C@H]1COCC1CC1)CCN(S(C)(=O)=O)CC2 ZINC000096216501 407250779 /nfs/dbraw/zinc/25/07/79/407250779.db2.gz UMTUUMHAFGTGJF-AWEZNQCLSA-N 0 3 316.467 1.159 40 0 DDABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)o1 ZINC000107739484 407379450 /nfs/dbraw/zinc/37/94/50/407379450.db2.gz KTIYUUNGQLRBBI-DLBZAZTESA-N 0 3 308.422 1.900 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3cnn(C)c3)CC2)C1=O ZINC000108531363 407387262 /nfs/dbraw/zinc/38/72/62/407387262.db2.gz UXZOPVSYHANUJS-QGZVFWFLSA-N 0 3 320.437 1.271 40 0 DDABHN CC(C)(C)OC(=O)N1CCNC[C@H](COc2ncccn2)C1 ZINC000257219782 407499752 /nfs/dbraw/zinc/49/97/52/407499752.db2.gz DICJHWADWLOAEY-LBPRGKRZSA-N 0 3 308.382 1.312 40 0 DDABHN O=C1CO[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000257258076 407522835 /nfs/dbraw/zinc/52/28/35/407522835.db2.gz KSILJNMPULGIAN-HZPDHXFCSA-N 0 3 304.365 1.647 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@@]1(CN)COC ZINC000218537759 407522861 /nfs/dbraw/zinc/52/28/61/407522861.db2.gz CDXPMXLRYGCAKL-BFHYXJOUSA-N 0 3 301.383 1.318 40 0 DDABHN CS(=O)(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000096110905 278114710 /nfs/dbraw/zinc/11/47/10/278114710.db2.gz IEQVLKGVZWGWKM-JKSUJKDBSA-N 0 3 324.446 1.359 40 0 DDABHN COc1ccc([C@H]2CNCCN2CC2(O)CCOCC2)cc1 ZINC000257247983 295250338 /nfs/dbraw/zinc/25/03/38/295250338.db2.gz JBMLLKPBGACLLH-MRXNPFEDSA-N 0 3 306.406 1.183 40 0 DDABHN CO[C@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000008652224 696036039 /nfs/dbraw/zinc/03/60/39/696036039.db2.gz YGPRSGKVLATIHT-GNCDUGFZSA-N 0 3 301.342 1.187 40 0 DDABHN CN(CC1CCN(CCO)CC1)C(=O)OCc1ccccc1 ZINC000079410991 185169896 /nfs/dbraw/zinc/16/98/96/185169896.db2.gz HYNGLPVQODQTBC-UHFFFAOYSA-N 0 3 306.406 1.959 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cc2c(cc1Cl)OCO2 ZINC000072324772 191122844 /nfs/dbraw/zinc/12/28/44/191122844.db2.gz COHAKBKQYHEPDX-WCFLWFBJSA-N 0 3 324.808 1.708 40 0 DDABHN Cc1cc(NC2=NCCCCC2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000256029995 354388122 /nfs/dbraw/zinc/38/81/22/354388122.db2.gz HKGBFILTVMLBAZ-GFCCVEGCSA-N 0 3 310.423 1.936 40 0 DDABHN CN(C)C/C=C/C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 ZINC000585290618 354824952 /nfs/dbraw/zinc/82/49/52/354824952.db2.gz YPNDGEMIQRTDEV-BRBWODKKSA-N 0 3 302.418 1.556 40 0 DDABHN CN1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000061031365 184160376 /nfs/dbraw/zinc/16/03/76/184160376.db2.gz LUYVRXICTGPIGU-UHFFFAOYSA-N 0 3 301.390 1.637 40 0 DDABHN CCc1ccc(OCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000061523947 184172594 /nfs/dbraw/zinc/17/25/94/184172594.db2.gz MSISOTSPHXGUDK-UHFFFAOYSA-N 0 3 319.449 1.382 40 0 DDABHN COC[C@H]1CN(C)CCN(C(=O)CCc2ccc(F)cc2)C1 ZINC000072343702 406882030 /nfs/dbraw/zinc/88/20/30/406882030.db2.gz WHWOBLLWALHJLP-HNNXBMFYSA-N 0 3 308.397 1.795 40 0 DDABHN O=C([C@@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCO1 ZINC000096216655 407250992 /nfs/dbraw/zinc/25/09/92/407250992.db2.gz CQPLTXBBVWCIPM-HNNXBMFYSA-N 0 3 320.389 1.957 40 0 DDABHN O=C1NCCN(CC2CC2)C12CCN(Cc1ccccc1)CC2 ZINC000096230190 407253593 /nfs/dbraw/zinc/25/35/93/407253593.db2.gz RUPOGEKGUJVQPV-UHFFFAOYSA-N 0 3 313.445 1.863 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 ZINC000096249925 407255834 /nfs/dbraw/zinc/25/58/34/407255834.db2.gz XPSJVVLFIAESIP-SZMVWBNQSA-N 0 3 319.449 1.639 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccco3)C[C@H]2C1 ZINC000096053919 407229016 /nfs/dbraw/zinc/22/90/16/407229016.db2.gz XDVCFIAIKBRDLH-TXEJJXNPSA-N 0 3 303.387 1.940 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccnc1 ZINC000096055216 407229036 /nfs/dbraw/zinc/22/90/36/407229036.db2.gz BABJFZUNUDAGBC-RCCFBDPRSA-N 0 3 319.449 1.639 40 0 DDABHN Cn1cc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)cn1 ZINC000096058634 407230885 /nfs/dbraw/zinc/23/08/85/407230885.db2.gz OWOBNUCCUSWBHI-AWEZNQCLSA-N 0 3 313.405 1.315 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)N(C)C)[C@@H]3C2)o1 ZINC000096057185 407230939 /nfs/dbraw/zinc/23/09/39/407230939.db2.gz XQQFWCOAXPZRHS-FMKPAKJESA-N 0 3 306.406 1.761 40 0 DDABHN Cn1cc(CNC[C@@H]2Cn3nnc(-c4ccccc4)c3CO2)cn1 ZINC000096061076 407231584 /nfs/dbraw/zinc/23/15/84/407231584.db2.gz GZBCZIMXCMWCDI-OAHLLOKOSA-N 0 3 324.388 1.367 40 0 DDABHN CCn1nnc2c1[C@@H](COCCN(C)C)CN(CC1CC1)C2 ZINC000096060874 407231882 /nfs/dbraw/zinc/23/18/82/407231882.db2.gz PBCYHRRBGBOFSI-CQSZACIVSA-N 0 3 307.442 1.185 40 0 DDABHN Cc1ccc(C(=O)N2CCO[C@H]3[C@H](OCCN(C)C)CC[C@@H]32)o1 ZINC000096065759 407232653 /nfs/dbraw/zinc/23/26/53/407232653.db2.gz AZSDHZPWLMTLHG-SQWLQELKSA-N 0 3 322.405 1.538 40 0 DDABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1 ZINC000096161792 407242221 /nfs/dbraw/zinc/24/22/21/407242221.db2.gz GWRMHYNEQRDLHZ-BETUJISGSA-N 0 3 316.430 1.686 40 0 DDABHN c1cc(CN2CCO[C@@H]3CN([C@H]4CCOC4)CC[C@@H]3C2)ccn1 ZINC000107256312 407371476 /nfs/dbraw/zinc/37/14/76/407371476.db2.gz SQFTZERPTGBNTH-FGTMMUONSA-N 0 3 317.433 1.393 40 0 DDABHN CCn1nc(C2CC2)cc1C(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257215753 407498955 /nfs/dbraw/zinc/49/89/55/407498955.db2.gz CRMOTFJJECKOPK-HZPDHXFCSA-N 0 3 318.421 1.062 40 0 DDABHN CNc1cccc([C@H]2CN(C(=O)C3(N)CCCC3)CCO2)n1 ZINC000257238093 407510349 /nfs/dbraw/zinc/51/03/49/407510349.db2.gz HJOFOOUGYHKWGF-CYBMUJFWSA-N 0 3 304.394 1.295 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)COC ZINC000218463198 407517687 /nfs/dbraw/zinc/51/76/87/407517687.db2.gz HVXSZJKHIWFJJU-HZSPNIEDSA-N 0 3 317.838 1.832 40 0 DDABHN CNc1nccnc1C[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000257251157 407520621 /nfs/dbraw/zinc/52/06/21/407520621.db2.gz JPROEHCYONACLX-CYBMUJFWSA-N 0 3 300.410 1.707 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000257333908 407533645 /nfs/dbraw/zinc/53/36/45/407533645.db2.gz YDQIZDXJRCSRCJ-QGZVFWFLSA-N 0 3 308.397 1.628 40 0 DDABHN C[C@H](N)C(=O)N(C1CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391337 185168024 /nfs/dbraw/zinc/16/80/24/185168024.db2.gz DIGWOMVPCPXZDF-WCQYABFASA-N 0 3 311.426 1.724 40 0 DDABHN O=C(OCc1ccccc1)N1CC[C@@H](N(CCO)C2CC2)C1 ZINC000079391736 185168310 /nfs/dbraw/zinc/16/83/10/185168310.db2.gz MPLZXPFHZSHZDQ-MRXNPFEDSA-N 0 3 304.390 1.854 40 0 DDABHN CCN(C(=O)[C@H](C)N)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393108 185168760 /nfs/dbraw/zinc/16/87/60/185168760.db2.gz LBMAWUIRMVOMKZ-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN CN1CCC[C@H](c2cccc(C(=O)N3CCCOCC3)n2)C1 ZINC000072365728 191135198 /nfs/dbraw/zinc/13/51/98/191135198.db2.gz DEFAFDHLWUGELD-AWEZNQCLSA-N 0 3 303.406 1.753 40 0 DDABHN O=C1N(c2ncccn2)C[C@@]12CCCN(C[C@H]1CCCO1)C2 ZINC000585099374 354806552 /nfs/dbraw/zinc/80/65/52/354806552.db2.gz HSKNBQARQBMTMN-CJNGLKHVSA-N 0 3 302.378 1.084 40 0 DDABHN Cc1cccnc1CN1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585275709 354819743 /nfs/dbraw/zinc/81/97/43/354819743.db2.gz IHCXSBTXEURBEQ-HOCLYGCPSA-N 0 3 303.406 1.195 40 0 DDABHN COc1ccccc1[C@H]1CNCCN1CC(=O)N1CCCC1 ZINC000257300113 203026220 /nfs/dbraw/zinc/02/62/20/203026220.db2.gz RSYHLMTVVCDXRY-OAHLLOKOSA-N 0 3 303.406 1.264 40 0 DDABHN COc1ccc([C@H]2CNCCN2CC(=O)N2CCCCC2)cc1 ZINC000257332323 203054502 /nfs/dbraw/zinc/05/45/02/203054502.db2.gz XWTPXXNKGQCSOD-QGZVFWFLSA-N 0 3 317.433 1.654 40 0 DDABHN CN(C)CCOC[C@@H]1CN(Cc2ccoc2)Cc2nnn(C)c21 ZINC000096060657 193512761 /nfs/dbraw/zinc/51/27/61/193512761.db2.gz RVADEZMSYCHQSE-AWEZNQCLSA-N 0 3 319.409 1.086 40 0 DDABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccn1-c1cccnc1 ZINC000019575981 182131144 /nfs/dbraw/zinc/13/11/44/182131144.db2.gz WYIMZPPFHCMAKZ-JCGIZDLHSA-N 0 3 312.417 1.512 40 0 DDABHN CC(C)(CNC(=O)c1cnn2cccnc12)N1CCCCC1 ZINC000019657731 182135173 /nfs/dbraw/zinc/13/51/73/182135173.db2.gz ZAGGNXHQWCDKKF-UHFFFAOYSA-N 0 3 301.394 1.724 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C1(CN)CN ZINC000218375148 257130932 /nfs/dbraw/zinc/13/09/32/257130932.db2.gz QQRFFSGSVLZIJO-NWDGAFQWSA-N 0 3 302.827 1.144 40 0 DDABHN NC[C@@H]1CCN(c2ccccc2Br)S1(=O)=O ZINC000222542657 407559221 /nfs/dbraw/zinc/55/92/21/407559221.db2.gz LFEOWHOVXPKGND-QMMMGPOBSA-N 0 3 305.197 1.316 40 0 DDABHN O=C1c2ccccc2C(=O)N1C1Cc2nc3ccccc3n2C1=O ZINC000012967495 406855867 /nfs/dbraw/zinc/85/58/67/406855867.db2.gz HODZCEVLJZMWHD-AWEZNQCLSA-N 0 3 317.304 1.897 40 0 DDABHN O=C1NCCN(CC2CC2)C12CCN(Cc1cccnc1)CC2 ZINC000096230421 407253708 /nfs/dbraw/zinc/25/37/08/407253708.db2.gz MSCZRLYTWJYBCN-UHFFFAOYSA-N 0 3 314.433 1.258 40 0 DDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccccn1)C2 ZINC000096038838 407224400 /nfs/dbraw/zinc/22/44/00/407224400.db2.gz MBKZWWQXSQRHIX-NVXWUHKLSA-N 0 3 317.389 1.227 40 0 DDABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096047817 407227196 /nfs/dbraw/zinc/22/71/96/407227196.db2.gz CLHJTCWGLCGYJO-HNNXBMFYSA-N 0 3 322.405 1.508 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCN(Cc4ccncc4)C3)C2=O)cn1 ZINC000096050532 407228548 /nfs/dbraw/zinc/22/85/48/407228548.db2.gz JUSZUPAFOSZPHQ-QGZVFWFLSA-N 0 3 311.389 1.444 40 0 DDABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 ZINC000096064829 407232493 /nfs/dbraw/zinc/23/24/93/407232493.db2.gz QXUQUGGRBIYYOX-UKRRQHHQSA-N 0 3 309.435 1.521 40 0 DDABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3cccnc3)CC[C@H]12 ZINC000096065551 407232703 /nfs/dbraw/zinc/23/27/03/407232703.db2.gz FIQQSIOAPYZRNJ-BZUAXINKSA-N 0 3 303.406 1.302 40 0 DDABHN CN(C)CCNC(=O)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 ZINC000096183642 407244644 /nfs/dbraw/zinc/24/46/44/407244644.db2.gz INZCAPAZGOQJKV-SOUVJXGZSA-N 0 3 323.462 1.158 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)o1 ZINC000096208805 407250609 /nfs/dbraw/zinc/25/06/09/407250609.db2.gz DRLSMZKSEGXGEC-WBVHZDCISA-N 0 3 306.406 1.369 40 0 DDABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 ZINC000097953804 407303846 /nfs/dbraw/zinc/30/38/46/407303846.db2.gz SUJJDKVWWVQPNV-USXIJHARSA-N 0 3 300.402 1.945 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3cnn(C)c3)CC2)C1=O ZINC000108531367 407387729 /nfs/dbraw/zinc/38/77/29/407387729.db2.gz UXZOPVSYHANUJS-KRWDZBQOSA-N 0 3 320.437 1.271 40 0 DDABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257200710 407491647 /nfs/dbraw/zinc/49/16/47/407491647.db2.gz AEOUWSNOOJAOEY-OAHLLOKOSA-N 0 3 300.410 1.907 40 0 DDABHN COC(=O)C1=C[C@H]2CN(Cc3ccccc3)CC[C@H]2NC1=O ZINC000253495330 407454464 /nfs/dbraw/zinc/45/44/64/407454464.db2.gz TUJSMDKSPQSKRJ-DZGCQCFKSA-N 0 3 300.358 1.106 40 0 DDABHN Cn1ccnc1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2CC1 ZINC000248103585 408533219 /nfs/dbraw/zinc/53/32/19/408533219.db2.gz FKIFHMHNOSPOFO-HOTGVXAUSA-N 0 3 304.438 1.495 40 0 DDABHN CNc1ccc(C[C@@H]2CCCN(c3cc(N)nc(C)n3)C2)nn1 ZINC000072387362 277302989 /nfs/dbraw/zinc/30/29/89/277302989.db2.gz WYCAFHVQLSIUHA-LBPRGKRZSA-N 0 3 313.409 1.658 40 0 DDABHN N=C(COc1cc(Br)c2c(c1)OCCO2)NO ZINC000409443060 490781910 /nfs/dbraw/zinc/78/19/10/490781910.db2.gz GGKVYHXUOKNCCB-UHFFFAOYSA-N 0 3 303.112 1.555 40 0 DDABHN CCN(C[C@@H]1CCCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409709 185169738 /nfs/dbraw/zinc/16/97/38/185169738.db2.gz JAGWFNUTVXPUTA-STQMWFEESA-N 0 3 313.442 1.972 40 0 DDABHN C[C@H](N)C(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000079412725 185170496 /nfs/dbraw/zinc/17/04/96/185170496.db2.gz IZTFITTVLWSCSJ-ZDUSSCGKSA-N 0 3 319.405 1.499 40 0 DDABHN CN(C)C(=O)NC[C@@H]1CO[C@@H]2CN(CCc3ccccc3)C[C@H]12 ZINC000306141127 231089198 /nfs/dbraw/zinc/08/91/98/231089198.db2.gz VLWOITDBNBMNSJ-BRWVUGGUSA-N 0 3 317.433 1.447 40 0 DDABHN CN1C[C@@H]2CN(C(=O)c3ccccc3F)CCN2C(C)(C)C1 ZINC000253400330 186307142 /nfs/dbraw/zinc/30/71/42/186307142.db2.gz LDRIAVRGDLLGOR-CYBMUJFWSA-N 0 3 305.397 1.676 40 0 biogenic,in-vitro DDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccn1-c1cccnc1 ZINC000072324836 191122620 /nfs/dbraw/zinc/12/26/20/191122620.db2.gz WYIMZPPFHCMAKZ-ZTFGCOKTSA-N 0 3 312.417 1.512 40 0 DDABHN CNC(=O)CCc1cc(C)nc(C2CCN(CCO)CC2)c1 ZINC000072360443 191131852 /nfs/dbraw/zinc/13/18/52/191131852.db2.gz YCFDPWGOHPJPIC-UHFFFAOYSA-N 0 3 305.422 1.240 40 0 DDABHN CC(C)N1CCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000072379405 191140257 /nfs/dbraw/zinc/14/02/57/191140257.db2.gz IWZSIXVDLKZNNS-ZDUSSCGKSA-N 0 3 301.394 1.976 40 0 DDABHN Cc1ccc(CC(=O)NCCCN2CCN(C)CC2)cc1C ZINC000072782102 191228662 /nfs/dbraw/zinc/22/86/62/191228662.db2.gz LDWJQJWQYFJEIC-UHFFFAOYSA-N 0 3 303.450 1.600 40 0 DDABHN COCCN1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104410 354808183 /nfs/dbraw/zinc/80/81/83/354808183.db2.gz MHUWFMUWQGWUTJ-SFHVURJKSA-N 0 3 318.417 1.384 40 0 DDABHN CCOCCOc1ccc(CN2C[C@H](O)[C@@H](N(C)C)C2)cc1 ZINC000585269679 354818559 /nfs/dbraw/zinc/81/85/59/354818559.db2.gz HUTVFNRVOTXKLC-IRXDYDNUSA-N 0 3 308.422 1.209 40 0 DDABHN CNC(=O)C[C@@]1(COC)CCCN1Cc1ccc(OC)c(F)c1 ZINC000585279088 354822759 /nfs/dbraw/zinc/82/27/59/354822759.db2.gz SQKZNABURUDVNI-QGZVFWFLSA-N 0 3 324.396 1.951 40 0 DDABHN CC(C)(C)[C@H]1CC[C@](O)(CN2CCO[C@](C)(C(N)=O)C2)CC1 ZINC000585284720 354824131 /nfs/dbraw/zinc/82/41/31/354824131.db2.gz VKSJXBICMQLHJM-RRQGHBQHSA-N 0 3 312.454 1.530 40 0 DDABHN OC1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585289274 354825469 /nfs/dbraw/zinc/82/54/69/354825469.db2.gz HCXGJGVQFZPFES-GVDBMIGSSA-N 0 3 309.381 1.943 40 0 DDABHN Cc1cc(-c2nccn2C)nc(C2CCN(CCO)CC2)n1 ZINC000257203168 202940106 /nfs/dbraw/zinc/94/01/06/202940106.db2.gz AOXSQZFVUMNCNB-UHFFFAOYSA-N 0 3 301.394 1.357 40 0 DDABHN CC(=O)N1CC2(C[C@@]1(C)CO)CCN(Cc1ccncc1)CC2 ZINC000257286914 203013713 /nfs/dbraw/zinc/01/37/13/203013713.db2.gz PNQDNGBZUWRSPG-KRWDZBQOSA-N 0 3 317.433 1.667 40 0 DDABHN CC(C)c1nc2n(n1)[C@@H](C(=O)NCc1ccco1)CC(=O)N2 ZINC000017030904 182068848 /nfs/dbraw/zinc/06/88/48/182068848.db2.gz HJVKLMIJRVCOIQ-SNVBAGLBSA-N 0 3 303.322 1.194 40 0 DDABHN CN1CCC[C@H](c2nnc3n2CCN(C(=O)C(C)(C)C)CC3)C1 ZINC000019709465 182137259 /nfs/dbraw/zinc/13/72/59/182137259.db2.gz VDFQECAKKDYZSI-ZDUSSCGKSA-N 0 3 319.453 1.518 40 0 DDABHN O=C(CN1CCNCC1)Nc1cccc(OC(F)(F)F)c1 ZINC000023292116 182356408 /nfs/dbraw/zinc/35/64/08/182356408.db2.gz OELOTAMSQRKDDR-UHFFFAOYSA-N 0 3 303.284 1.429 40 0 DDABHN Cc1nc(N2CCN(C=O)CC2)ccc1[C@H](N)c1ccccc1 ZINC000072224734 257123645 /nfs/dbraw/zinc/12/36/45/257123645.db2.gz TZCRMQIDFLJBJH-GOSISDBHSA-N 0 3 310.401 1.717 40 0 DDABHN Cc1cc(C(=O)N2Cc3ccccc3OC[C@H]2CN(C)C)on1 ZINC000072394837 406881797 /nfs/dbraw/zinc/88/17/97/406881797.db2.gz QXAVKLPKJAJZMC-CQSZACIVSA-N 0 3 315.373 1.948 40 0 DDABHN C[C@H](CN1CCCCCC1)NC(=O)c1nc2ncccn2n1 ZINC000019456157 406885008 /nfs/dbraw/zinc/88/50/08/406885008.db2.gz DMGXPZZJVIVIHP-GFCCVEGCSA-N 0 3 302.382 1.119 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000073742985 406892970 /nfs/dbraw/zinc/89/29/70/406892970.db2.gz QWFZKLAVEGQYQI-UHFFFAOYSA-N 0 3 314.183 1.065 40 0 DDABHN c1cncc(CO[C@H]2C[C@@H]3CN(Cc4ccncc4)CCN3C2)c1 ZINC000096055040 407229243 /nfs/dbraw/zinc/22/92/43/407229243.db2.gz PZASUWAVVOYLQC-MOPGFXCFSA-N 0 3 324.428 1.952 40 0 DDABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053822 407229946 /nfs/dbraw/zinc/22/99/46/407229946.db2.gz JGZZJVKQDZAHLL-GASCZTMLSA-N 0 3 308.385 1.681 40 0 DDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccoc3)C2)O1 ZINC000096063302 407232498 /nfs/dbraw/zinc/23/24/98/407232498.db2.gz DNUBQJUMSMLYRB-HOCLYGCPSA-N 0 3 308.378 1.231 40 0 DDABHN O=C1C[C@H]2[C@@H](CCN2Cc2cccnc2)N1CC1CCOCC1 ZINC000096063857 407232608 /nfs/dbraw/zinc/23/26/08/407232608.db2.gz IONABDIAUJCWDX-SJORKVTESA-N 0 3 315.417 1.683 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccncc1)CC[C@@H]2OC ZINC000096109421 407237576 /nfs/dbraw/zinc/23/75/76/407237576.db2.gz CXVTUZHTHGLMAV-BBWFWOEESA-N 0 3 305.422 1.249 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccccc1)CC[C@H]2OC ZINC000096209436 407250707 /nfs/dbraw/zinc/25/07/07/407250707.db2.gz YVKMPGBKBWXRHW-GVDBMIGSSA-N 0 3 302.418 1.797 40 0 DDABHN c1cc(CN2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)co1 ZINC000097953445 407303971 /nfs/dbraw/zinc/30/39/71/407303971.db2.gz YEYIQVRBRIMQDT-BBWFWOEESA-N 0 3 306.406 1.591 40 0 DDABHN O=C(N[C@@H]1CN(C[C@H]2CCOC2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000107201405 407370372 /nfs/dbraw/zinc/37/03/72/407370372.db2.gz HLKCHJORFLCWNJ-NMFUWQPSSA-N 0 3 322.430 1.214 40 0 DDABHN CNC(=O)[C@H]1CC[C@@H]2[C@@H](CCN2CCOCc2ccccc2)O1 ZINC000107207828 407370992 /nfs/dbraw/zinc/37/09/92/407370992.db2.gz FSXFEOADJSZCMS-BRWVUGGUSA-N 0 3 318.417 1.571 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccon3)CCO2)c1 ZINC000257210666 407496868 /nfs/dbraw/zinc/49/68/68/407496868.db2.gz BVQGAEIZLCBVKF-CQSZACIVSA-N 0 3 302.334 1.633 40 0 DDABHN CCn1cc(CN2[C@H]3CCN(C(C)=O)C[C@@H]3C[C@]2(C)CO)cn1 ZINC000257227552 407506292 /nfs/dbraw/zinc/50/62/92/407506292.db2.gz FPWPAWDPWGFKPE-YESZJQIVSA-N 0 3 320.437 1.097 40 0 DDABHN COc1ccc(C)cc1CC(=O)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257269968 407530984 /nfs/dbraw/zinc/53/09/84/407530984.db2.gz MSFVUSJLBLZXJB-HZPDHXFCSA-N 0 3 318.417 1.214 40 0 DDABHN CCc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000408708323 418810959 /nfs/dbraw/zinc/81/09/59/418810959.db2.gz XPFFCHZVDAURQG-MRXNPFEDSA-N 0 3 317.433 1.466 40 0 DDABHN Cc1cc(N)cc([C@H]2CN(C(=O)C3CCOCC3)CCO2)n1 ZINC000257310419 280539376 /nfs/dbraw/zinc/53/93/76/280539376.db2.gz UEZVKOYIJZDFGM-OAHLLOKOSA-N 0 3 305.378 1.299 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1ccncc1 ZINC000096061735 289317255 /nfs/dbraw/zinc/31/72/55/289317255.db2.gz UAISEJLTKOIWCS-SJORKVTESA-N 0 3 310.401 1.864 40 0 DDABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cncnc1 ZINC000072394831 282141458 /nfs/dbraw/zinc/14/14/58/282141458.db2.gz HIZIHBPGSBOGQW-HNNXBMFYSA-N 0 3 312.373 1.442 40 0 DDABHN CC(=O)N1CCC[C@H]1c1ccc2c(=O)n(CCN(C)C)cc-2[nH]1 ZINC000072378363 191141637 /nfs/dbraw/zinc/14/16/37/191141637.db2.gz GYAYGOHIHGZERM-INIZCTEOSA-N 0 3 316.405 1.282 40 0 DDABHN Cc1[nH]ncc1CN1CCO[C@H](c2nccnc2N(C)C)C1 ZINC000257273561 203001124 /nfs/dbraw/zinc/00/11/24/203001124.db2.gz NHCXAMPVXSAOSO-ZDUSSCGKSA-N 0 3 302.382 1.148 40 0 DDABHN CCN(Cc1ccncc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257275605 203004490 /nfs/dbraw/zinc/00/44/90/203004490.db2.gz NQBMEAPPOHOILF-INIZCTEOSA-N 0 3 314.393 1.252 40 0 DDABHN C[C@]12CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)[C@H]1CCCC[NH2+]2 ZINC000257284311 203012058 /nfs/dbraw/zinc/01/20/58/203012058.db2.gz PCDZPKJJVVNNOM-NHYWBVRUSA-N 0 3 306.366 1.025 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2c(F)cccc2Cl)C1 ZINC000257328377 203050795 /nfs/dbraw/zinc/05/07/95/203050795.db2.gz XFJIFOXRCMNOBW-HNNXBMFYSA-N 0 3 314.788 1.547 40 0 DDABHN CN1CCC(c2nccnc2CNC(=O)c2cnco2)CC1 ZINC000257344186 203067301 /nfs/dbraw/zinc/06/73/01/203067301.db2.gz ZWCKUKLJXDTZRX-UHFFFAOYSA-N 0 3 301.350 1.204 40 0 DDABHN Cc1cccc(C[N@@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)n1 ZINC000019236336 182110743 /nfs/dbraw/zinc/11/07/43/182110743.db2.gz XQJXFMNMDSIOAR-CJNGLKHVSA-N 0 3 310.401 1.944 40 0 DDABHN Cc1cccc(C[N@H+]2C[C@@H]3c4nc(C)[n-]c(=O)c4CC[C@@H]3C2)n1 ZINC000019236336 182110745 /nfs/dbraw/zinc/11/07/45/182110745.db2.gz XQJXFMNMDSIOAR-CJNGLKHVSA-N 0 3 310.401 1.944 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O ZINC000242648390 257120016 /nfs/dbraw/zinc/12/00/16/257120016.db2.gz QWCVETLFDNNJIP-RRFJBIMHSA-N 0 3 313.419 1.187 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@@H]21 ZINC000096043460 407226536 /nfs/dbraw/zinc/22/65/36/407226536.db2.gz GUQRWALPRRZPQM-BRWVUGGUSA-N 0 3 302.418 1.968 40 0 DDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(C(=O)c3ccsc3)C2)O1 ZINC000096063306 407232757 /nfs/dbraw/zinc/23/27/57/407232757.db2.gz PUCMUFFVLAMGML-HOCLYGCPSA-N 0 3 324.446 1.700 40 0 DDABHN CN(C)C(=O)CN1C[C@H]2CCCN(Cc3ccc(F)cc3)[C@H]2C1 ZINC000096081531 407234849 /nfs/dbraw/zinc/23/48/49/407234849.db2.gz ASCOYAQIQHLNTA-WBVHZDCISA-N 0 3 319.424 1.810 40 0 DDABHN COCCC(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096080906 407235052 /nfs/dbraw/zinc/23/50/52/407235052.db2.gz FYLLEDSJVSLJJT-GJZGRUSLSA-N 0 3 306.381 1.752 40 0 DDABHN COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000096080915 407235207 /nfs/dbraw/zinc/23/52/07/407235207.db2.gz BCXYHFVAFWHJJA-GJZGRUSLSA-N 0 3 306.381 1.752 40 0 DDABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@H]2C1 ZINC000096081009 407235401 /nfs/dbraw/zinc/23/54/01/407235401.db2.gz BREHVUFNTBEYKY-CALCHBBNSA-N 0 3 324.428 1.933 40 0 DDABHN O=C(NC[C@@H]1OC[C@@H]2CN(Cc3ccncc3)CC[C@H]12)C1CC1 ZINC000096110767 407238749 /nfs/dbraw/zinc/23/87/49/407238749.db2.gz CAOMQMVCMAFFHP-ULQDDVLXSA-N 0 3 315.417 1.445 40 0 DDABHN CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1cccs1 ZINC000096184318 407244899 /nfs/dbraw/zinc/24/48/99/407244899.db2.gz SGQUIUBWPUKNSW-GJZGRUSLSA-N 0 3 307.463 1.527 40 0 DDABHN COCCNC(=O)[C@]1(CCCc2cnccn2)CCCN1C ZINC000257233506 407510931 /nfs/dbraw/zinc/51/09/31/407510931.db2.gz GPOSAUGMJHNNSU-INIZCTEOSA-N 0 3 306.410 1.026 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000257266639 407526660 /nfs/dbraw/zinc/52/66/60/407526660.db2.gz MDVLSYYAPYTYBL-CQSZACIVSA-N 0 3 316.323 1.844 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccco1 ZINC000248061257 408530143 /nfs/dbraw/zinc/53/01/43/408530143.db2.gz YYWQSROMSOGCRM-UAGQMJEPSA-N 0 3 308.422 1.837 40 0 DDABHN CC(=O)NC1CCN(c2ccc([C@@H]3CCCN3C)nc2)CC1 ZINC000072365382 277025838 /nfs/dbraw/zinc/02/58/38/277025838.db2.gz SSKMKIMCSDLNOI-KRWDZBQOSA-N 0 3 302.422 1.953 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NC(=O)CN ZINC000079409426 278377322 /nfs/dbraw/zinc/37/73/22/278377322.db2.gz XBCZCPFWDWBVTK-STQMWFEESA-N 0 3 311.426 1.772 40 0 DDABHN CC(C)[C@H](N)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079410024 185169865 /nfs/dbraw/zinc/16/98/65/185169865.db2.gz VITPGSWQMNLWRH-BPCQOVAHSA-N 0 3 313.442 1.922 40 0 DDABHN CC(C)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391289 185168187 /nfs/dbraw/zinc/16/81/87/185168187.db2.gz NSBRJOISVGNFKB-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN CCN(C(=O)CN)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392882 185168641 /nfs/dbraw/zinc/16/86/41/185168641.db2.gz ZYOSTONHJZEJPE-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN c1ccc(CCn2nnnc2CN2CCN3CCC[C@H]3C2)cc1 ZINC000020143263 352170127 /nfs/dbraw/zinc/17/01/27/352170127.db2.gz GKZWHTXLTXGQLN-INIZCTEOSA-N 0 3 312.421 1.196 40 0 DDABHN Cc1cccc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)n1 ZINC000585293531 354826488 /nfs/dbraw/zinc/82/64/88/354826488.db2.gz YZXGMIFGARJSDR-KZNAEPCWSA-N 0 3 316.376 1.850 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(OC)cc2)[C@]1(CN)COC ZINC000242547687 257120270 /nfs/dbraw/zinc/12/02/70/257120270.db2.gz KSHXAXZOAQSFCB-ZNMIVQPWSA-N 0 3 313.419 1.187 40 0 DDABHN COc1cccc(-c2cnc3c(N4CCNCC4)nccn23)c1 ZINC000306127510 533371015 /nfs/dbraw/zinc/37/10/15/533371015.db2.gz GALKDASXVABGLI-UHFFFAOYSA-N 0 3 309.373 1.815 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1C ZINC000073743084 406893245 /nfs/dbraw/zinc/89/32/45/406893245.db2.gz MHQOESQNTIUZOP-ZDUSSCGKSA-N 0 3 307.369 1.673 40 0 DDABHN CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COC2CCCCC2)C1 ZINC000027533957 406911378 /nfs/dbraw/zinc/91/13/78/406911378.db2.gz ODCLSMNDBFQLNF-HUUCEWRRSA-N 0 3 313.438 1.972 40 0 DDABHN CC(C)(C)OC(=O)N=C(N)N(OCCN)C(=O)OC(C)(C)C ZINC000036377890 406979147 /nfs/dbraw/zinc/97/91/47/406979147.db2.gz GOCYEBPOQCCUSY-UHFFFAOYSA-N 0 3 318.374 1.573 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000078701467 407042648 /nfs/dbraw/zinc/04/26/48/407042648.db2.gz QYGQCNALXIEEDH-UHFFFAOYSA-N 0 3 304.177 1.610 40 0 DDABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)CC1CC1)CC2 ZINC000096217746 407251798 /nfs/dbraw/zinc/25/17/98/407251798.db2.gz JHBDCKZYHUVAAY-SFHVURJKSA-N 0 3 321.465 1.722 40 0 DDABHN COCCNC(=O)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096041128 407225424 /nfs/dbraw/zinc/22/54/24/407225424.db2.gz BDAZUQUWOGFPIL-SOUVJXGZSA-N 0 3 324.446 1.348 40 0 DDABHN CN1C(=O)C[C@H](c2ccncc2)C12CCN([C@@H]1CCOC1)CC2 ZINC000096069802 407234314 /nfs/dbraw/zinc/23/43/14/407234314.db2.gz PCUQNZOMERBBOM-HZPDHXFCSA-N 0 3 315.417 1.651 40 0 DDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)CC ZINC000218022872 484147277 /nfs/dbraw/zinc/14/72/77/484147277.db2.gz VJIVNVRXMXWSGF-IPYPFGDCSA-N 0 3 311.403 1.095 40 0 DDABHN CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](C)N ZINC000079391266 185168177 /nfs/dbraw/zinc/16/81/77/185168177.db2.gz QUSLOZSZQKRIAD-LBPRGKRZSA-N 0 3 313.442 1.829 40 0 DDABHN COC[C@H]1C[C@@H](NCc2cn(C)c3ccccc23)[C@H](O)[C@@H]1O ZINC000225509210 201722419 /nfs/dbraw/zinc/72/24/19/201722419.db2.gz HEYJRRQTCFDMTP-PREXVCJDSA-N 0 3 304.390 1.025 40 0 biogenic,in-vitro DDABHN CN1CCC(c2cnc(CCC(=O)NC3CCC3)cn2)CC1 ZINC000072366488 191135535 /nfs/dbraw/zinc/13/55/35/191135535.db2.gz FYJVQZWHRFPKTP-UHFFFAOYSA-N 0 3 302.422 1.887 40 0 DDABHN CCOC[C@@H]1CN(CC2CC2)C2(CN(C(=O)C3CC(O)C3)C2)C1 ZINC000585093956 354803615 /nfs/dbraw/zinc/80/36/15/354803615.db2.gz SMIJFIGIOQZTMB-FHERZECASA-N 0 3 322.449 1.107 40 0 DDABHN Cc1cc([C@H]2CN(C(=O)C3CCN(C)CC3)CCO2)nc(C)n1 ZINC000257292879 203016908 /nfs/dbraw/zinc/01/69/08/203016908.db2.gz QNIBAVAYGFHJTJ-MRXNPFEDSA-N 0 3 318.421 1.335 40 0 DDABHN CC(C)C(=O)N[C@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224824 193589976 /nfs/dbraw/zinc/58/99/76/193589976.db2.gz LJLYKAFCTUZAQI-MRXNPFEDSA-N 0 3 317.433 1.977 40 0 DDABHN [NH3+][C@@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1 ZINC000019332487 182115653 /nfs/dbraw/zinc/11/56/53/182115653.db2.gz GPSRGHFZFVHXSO-AWEZNQCLSA-N 0 3 302.353 1.752 40 0 DDABHN Cc1nc(N)nc(C)c1CCC(=O)N(C)CCN1CCCCC1 ZINC000019657593 182135535 /nfs/dbraw/zinc/13/55/35/182135535.db2.gz RLWDXIFJDHNFPJ-UHFFFAOYSA-N 0 3 319.453 1.553 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)CC ZINC000252514969 257106535 /nfs/dbraw/zinc/10/65/35/257106535.db2.gz FOCCYJDNKLSTBP-RRFJBIMHSA-N 0 3 315.410 1.708 40 0 DDABHN NC[C@@]1(CO)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000252515290 257106554 /nfs/dbraw/zinc/10/65/54/257106554.db2.gz IFEBLMVDUZKFJD-ZACQAIPSSA-N 0 3 317.410 1.564 40 0 DDABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 ZINC000218494903 257130356 /nfs/dbraw/zinc/13/03/56/257130356.db2.gz DPYHRDDCUSZRRL-OAGGEKHMSA-N 0 3 311.447 1.741 40 0 DDABHN COc1ccc([C@@H](N)c2nnc(Cn3cccn3)[nH]2)cc1OC ZINC000095533841 257137686 /nfs/dbraw/zinc/13/76/86/257137686.db2.gz QNIQQVJYTFZNRW-CQSZACIVSA-N 0 3 314.349 1.115 40 0 DDABHN CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C3CCOCC3)C[C@H]21 ZINC000514290342 257215544 /nfs/dbraw/zinc/21/55/44/257215544.db2.gz XWLFHQDGEDPRQM-ZBFHGGJFSA-N 0 3 320.364 1.522 40 0 biogenic,in-vitro DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1Cl ZINC000006953193 406745203 /nfs/dbraw/zinc/74/52/03/406745203.db2.gz NIBRQAKIEUAKDN-NSHDSACASA-N 0 3 309.797 1.879 40 0 DDABHN Cc1ccc2cc(CNCCCN3CCOCC3)c(=O)[nH]c2c1 ZINC000004131198 406723024 /nfs/dbraw/zinc/72/30/24/406723024.db2.gz NOOGVLKSGNUGSH-UHFFFAOYSA-N 0 3 315.417 1.648 40 0 DDABHN CC[C@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 ZINC000020140165 406886717 /nfs/dbraw/zinc/88/67/17/406886717.db2.gz DRKRGZLVVURSDW-OAHLLOKOSA-N 0 3 322.457 1.331 40 0 DDABHN COc1ccc(C)cc1NC(=O)CNCCCN1CCOCC1 ZINC000035311402 406970619 /nfs/dbraw/zinc/97/06/19/406970619.db2.gz QDEZZSUQRQNVKC-UHFFFAOYSA-N 0 3 321.421 1.254 40 0 DDABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccc(C)o3)CC[C@H]12 ZINC000096041103 407225037 /nfs/dbraw/zinc/22/50/37/407225037.db2.gz RGEDOBVTSQYXAN-FVQBIDKESA-N 0 3 306.406 1.809 40 0 DDABHN O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000096042794 407226659 /nfs/dbraw/zinc/22/66/59/407226659.db2.gz UJCXDJRWXFERCR-APHBMKBZSA-N 0 3 304.390 1.928 40 0 DDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2N1C(C)C ZINC000096054231 407229193 /nfs/dbraw/zinc/22/91/93/407229193.db2.gz IWBDVRCOSLHAFS-CWRNSKLLSA-N 0 3 302.422 1.111 40 0 DDABHN c1cnc(N2C[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@H]3C2)nc1 ZINC000096182368 407243742 /nfs/dbraw/zinc/24/37/42/407243742.db2.gz SRFWLPWTVOQICM-GASCZTMLSA-N 0 3 324.384 1.774 40 0 DDABHN CC(C)N1CCc2c(CNC(=O)c3nccn3C)cncc2C1 ZINC000096189513 407246324 /nfs/dbraw/zinc/24/63/24/407246324.db2.gz WHRQMWWOXXCBBD-UHFFFAOYSA-N 0 3 313.405 1.512 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1ccncc1 ZINC000096200990 407248989 /nfs/dbraw/zinc/24/89/89/407248989.db2.gz DFLGCIKXVCNSRG-CABCVRRESA-N 0 3 316.430 1.926 40 0 DDABHN COc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1 ZINC000108525854 407386715 /nfs/dbraw/zinc/38/67/15/407386715.db2.gz RKUMKIDGPXBCGE-UHFFFAOYSA-N 0 3 324.446 1.599 40 0 DDABHN CN1CCC[C@@H]1c1cncc(C(=O)NCCN2CCCC2)n1 ZINC000257229459 407505807 /nfs/dbraw/zinc/50/58/07/407505807.db2.gz FYFDCVKFUFJSKW-OAHLLOKOSA-N 0 3 303.410 1.069 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000079410059 280272425 /nfs/dbraw/zinc/27/24/25/280272425.db2.gz XBOYFHOOQVVNMU-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN CN(C)C(=O)N1CCO[C@H]2[C@H](OCCN3CCCC3)CC[C@@H]21 ZINC000096065793 288981293 /nfs/dbraw/zinc/98/12/93/288981293.db2.gz ZXHIVKITNCXKFA-RRFJBIMHSA-N 0 3 311.426 1.012 40 0 DDABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)OCC ZINC000095496156 185374051 /nfs/dbraw/zinc/37/40/51/185374051.db2.gz QXELSODIWMVNCI-GASCZTMLSA-N 0 3 305.374 1.861 40 0 DDABHN NCC(=O)N1CC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079412533 185170181 /nfs/dbraw/zinc/17/01/81/185170181.db2.gz CCIDDRCQBWFLIE-OAHLLOKOSA-N 0 3 317.389 1.347 40 0 DDABHN NCC(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392829 185168384 /nfs/dbraw/zinc/16/83/84/185168384.db2.gz RMHIZQHCPPOEIR-UONOGXRCSA-N 0 3 305.378 1.299 40 0 DDABHN O=C([C@@H]1CCCS1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093712 354803541 /nfs/dbraw/zinc/80/35/41/354803541.db2.gz AAUBQWHHLFRLLV-KBPBESRZSA-N 0 3 310.463 1.187 40 0 DDABHN Cc1nn(C)c(C)c1CN1C[C@H](c2ccccc2)[C@@H](O)[C@H]1CO ZINC000585292477 354826697 /nfs/dbraw/zinc/82/66/97/354826697.db2.gz JJBOVDYNSYXKKG-KZNAEPCWSA-N 0 3 315.417 1.358 40 0 DDABHN CN(C)Cc1c[nH]c([C@@H]2CN(CC3CCOCC3)CCO2)n1 ZINC000257270678 203000290 /nfs/dbraw/zinc/00/02/90/203000290.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 0 3 308.426 1.271 40 0 DDABHN CN(C)Cc1cnc([C@@H]2CN(CC3CCOCC3)CCO2)[nH]1 ZINC000257270678 203000294 /nfs/dbraw/zinc/00/02/94/203000294.db2.gz MVFRPTMPRVBXRK-HNNXBMFYSA-N 0 3 308.426 1.271 40 0 DDABHN O=c1[nH]c(C2CCN([C@@H]3COC[C@@H]3O)CC2)cc2ccccc21 ZINC000257298387 203023165 /nfs/dbraw/zinc/02/31/65/203023165.db2.gz RLKPRAWXWOIAMP-SJORKVTESA-N 0 3 314.385 1.880 40 0 DDABHN C[C@@H](O)CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC000096074697 296181907 /nfs/dbraw/zinc/18/19/07/296181907.db2.gz FEECHGSLMOWDLY-OAHLLOKOSA-N 0 3 322.424 1.873 40 0 DDABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000063526861 184284839 /nfs/dbraw/zinc/28/48/39/184284839.db2.gz SKXSKLVLSIALGI-HOTGVXAUSA-N 0 3 308.385 1.681 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CN)CO ZINC000242495508 257120592 /nfs/dbraw/zinc/12/05/92/257120592.db2.gz GGJUAAZIIXMRGQ-XQQFMLRXSA-N 0 3 303.811 1.178 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000008091159 406777051 /nfs/dbraw/zinc/77/70/51/406777051.db2.gz OEQYKPOLBQCGFU-UHFFFAOYSA-N 0 3 304.177 1.610 40 0 DDABHN c1cncc(CN2CCO[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)c1 ZINC000096218245 407251695 /nfs/dbraw/zinc/25/16/95/407251695.db2.gz MICHCAPLDKJRIV-RBUKOAKNSA-N 0 3 324.428 1.809 40 0 DDABHN CC(C)C(=O)N[C@@H]1COC2(C1)CCN(Cc1cccnc1)CC2 ZINC000096224825 407252508 /nfs/dbraw/zinc/25/25/08/407252508.db2.gz LJLYKAFCTUZAQI-INIZCTEOSA-N 0 3 317.433 1.977 40 0 DDABHN O=C([C@@H]1CCCO1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228799 407253599 /nfs/dbraw/zinc/25/35/99/407253599.db2.gz YKISACPCJDJMTE-FUHWJXTLSA-N 0 3 322.449 1.516 40 0 DDABHN CC(C)C(=O)N1CCN(CC2CC2)C[C@]2(CC(=O)N(C)C2)C1 ZINC000096036076 407224332 /nfs/dbraw/zinc/22/43/32/407224332.db2.gz FTLAKKHKIOSTCO-QGZVFWFLSA-N 0 3 307.438 1.045 40 0 DDABHN O=C(Nc1cccnc1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 ZINC000096042837 407226609 /nfs/dbraw/zinc/22/66/09/407226609.db2.gz IRFDCPAXGRCDBV-NUEKZKHPSA-N 0 3 301.390 1.910 40 0 DDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1 ZINC000096049606 407226983 /nfs/dbraw/zinc/22/69/83/407226983.db2.gz VWYPOARAKHEICS-INIZCTEOSA-N 0 3 304.394 1.051 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1cccnc1 ZINC000096055218 407229349 /nfs/dbraw/zinc/22/93/49/407229349.db2.gz BABJFZUNUDAGBC-OKZBNKHCSA-N 0 3 319.449 1.639 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccoc3)C[C@@H]2C1 ZINC000096053927 407229479 /nfs/dbraw/zinc/22/94/79/407229479.db2.gz VFUHWXOBTZSLBS-CHWSQXEVSA-N 0 3 303.387 1.940 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053940 407229763 /nfs/dbraw/zinc/22/97/63/407229763.db2.gz LXZGKSGNLGWZAP-BETUJISGSA-N 0 3 314.414 1.742 40 0 DDABHN c1cc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)ccn1 ZINC000096054380 407229781 /nfs/dbraw/zinc/22/97/81/407229781.db2.gz MFVSKALONJDXCK-MSOLQXFVSA-N 0 3 316.449 1.062 40 0 DDABHN c1cncc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)c1 ZINC000096058652 407230529 /nfs/dbraw/zinc/23/05/29/407230529.db2.gz FWBSPPUAGIVMEG-HNNXBMFYSA-N 0 3 310.401 1.976 40 0 DDABHN O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21 ZINC000096058281 407230841 /nfs/dbraw/zinc/23/08/41/407230841.db2.gz UZCOHUUHUOWVLK-OWCLPIDISA-N 0 3 304.390 1.785 40 0 DDABHN CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(OC)cc2)C1 ZINC000096057648 407230971 /nfs/dbraw/zinc/23/09/71/407230971.db2.gz XRMKBIJWVVWZLQ-NUEKZKHPSA-N 0 3 304.390 1.421 40 0 DDABHN CN(C)CCO[C@H]1CN(Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057456 407231075 /nfs/dbraw/zinc/23/10/75/407231075.db2.gz IGQZFOLUTYTEPY-IKGGRYGDSA-N 0 3 305.422 1.392 40 0 DDABHN COCCC(=O)N1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C1 ZINC000096080913 407234910 /nfs/dbraw/zinc/23/49/10/407234910.db2.gz BCXYHFVAFWHJJA-GASCZTMLSA-N 0 3 306.381 1.752 40 0 DDABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1cccc(F)c1)C2 ZINC000096108403 407237556 /nfs/dbraw/zinc/23/75/56/407237556.db2.gz VDULUTUROSWOOZ-PBHICJAKSA-N 0 3 322.380 1.037 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@H]2OC ZINC000096108550 407237631 /nfs/dbraw/zinc/23/76/31/407237631.db2.gz QZFKJZPGTMLBBX-ARFHVFGLSA-N 0 3 322.405 1.016 40 0 DDABHN COC[C@H]1C(=O)NCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096208300 407250622 /nfs/dbraw/zinc/25/06/22/407250622.db2.gz DXYCRNGBYGMBDH-HNNXBMFYSA-N 0 3 303.406 1.365 40 0 DDABHN O=C(N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@H]12)c1ccncc1 ZINC000097953488 407303901 /nfs/dbraw/zinc/30/39/01/407303901.db2.gz IBTOSPYDMWLZQF-UAGQMJEPSA-N 0 3 315.417 1.843 40 0 DDABHN COCCN1CC2(CCC1=O)CCN(Cc1ccncc1)CC2 ZINC000108525685 407386637 /nfs/dbraw/zinc/38/66/37/407386637.db2.gz DDRXNJGVDTZOSS-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108526344 407387061 /nfs/dbraw/zinc/38/70/61/407387061.db2.gz WEQSTJDDPWETNU-SFHVURJKSA-N 0 3 317.433 1.933 40 0 DDABHN CCC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000257240342 407514273 /nfs/dbraw/zinc/51/42/73/407514273.db2.gz HTBMQRQFIRSOAI-IRXDYDNUSA-N 0 3 302.418 1.807 40 0 DDABHN NC[C@@]1(N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218626816 407520683 /nfs/dbraw/zinc/52/06/83/407520683.db2.gz JIXOLIWQMNRVJR-OWCLPIDISA-N 0 3 320.389 1.422 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cnco3)CCO2)c1 ZINC000257284241 407529813 /nfs/dbraw/zinc/52/98/13/407529813.db2.gz PBVYDBZLJFUZAA-AWEZNQCLSA-N 0 3 302.334 1.633 40 0 DDABHN CNC(=O)c1cccc([C@H]2CN(C3CCOCC3)CCN2C)c1 ZINC000257283994 407530744 /nfs/dbraw/zinc/53/07/44/407530744.db2.gz PAUNUGMRPPKGNF-QGZVFWFLSA-N 0 3 317.433 1.514 40 0 DDABHN COCCN1C(=O)CCC[C@H]2CN(Cc3cnn(C)c3)CC[C@H]21 ZINC000257268866 407531112 /nfs/dbraw/zinc/53/11/12/407531112.db2.gz MNOPOOCUPHIMKK-JKSUJKDBSA-N 0 3 320.437 1.270 40 0 DDABHN CN(C)C(=O)c1ccc(NC(=S)NC2CCN(C)CC2)cc1 ZINC000225800545 407605317 /nfs/dbraw/zinc/60/53/17/407605317.db2.gz WAXPUJUVRSQQBO-UHFFFAOYSA-N 0 3 320.462 1.769 40 0 DDABHN Cc1nnc2n1C1(CCN(Cc3ccco3)CC1)CN(C)C2 ZINC000306132444 231086851 /nfs/dbraw/zinc/08/68/51/231086851.db2.gz LIYNPJIVWVBBSX-UHFFFAOYSA-N 0 3 301.394 1.616 40 0 DDABHN CNCC(=O)N1CCC[C@@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383010 191141958 /nfs/dbraw/zinc/14/19/58/191141958.db2.gz AJAWRUGORISEGT-CYBMUJFWSA-N 0 3 312.377 1.498 40 0 DDABHN CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004985800 181184815 /nfs/dbraw/zinc/18/48/15/181184815.db2.gz GBSFMYIQWBJQOE-HNNXBMFYSA-N 0 3 319.384 1.708 40 0 DDABHN CC(C)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381301 359744014 /nfs/dbraw/zinc/74/40/14/359744014.db2.gz GWXXVICDXUYBGX-GOSISDBHSA-N 0 3 315.461 1.666 40 0 biogenic,in-vitro DDABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cnccn3)C2)n1 ZINC000257278379 203005748 /nfs/dbraw/zinc/00/57/48/203005748.db2.gz OCAJBSHPPXDHRY-ZDUSSCGKSA-N 0 3 311.389 1.876 40 0 DDABHN Cc1cccc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)n1 ZINC000257248865 202981327 /nfs/dbraw/zinc/98/13/27/202981327.db2.gz JFOAVQPOTJSOTA-MRXNPFEDSA-N 0 3 315.421 1.748 40 0 DDABHN COc1ccc([C@H]2CNCCN2Cc2cnn(C)c2C)cc1 ZINC000257303265 203028038 /nfs/dbraw/zinc/02/80/38/203028038.db2.gz SGLGSGPKMDGCAC-QGZVFWFLSA-N 0 3 300.406 1.884 40 0 DDABHN Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)n1 ZINC000257307158 203032235 /nfs/dbraw/zinc/03/22/35/203032235.db2.gz SXLKPHNOOJKHHG-RDJZCZTQSA-N 0 3 304.438 1.975 40 0 DDABHN CC(C)c1ccc([C@@H](N)CNC(=O)C[C@H]2COCCN2)cc1 ZINC000261969619 203164275 /nfs/dbraw/zinc/16/42/75/203164275.db2.gz CQWVWHNRUZDOQB-HOTGVXAUSA-N 0 3 305.422 1.305 40 0 DDABHN CCCC(=O)N1CCc2nc(C3CCN(C)CC3)ncc2C1 ZINC000019501633 182125724 /nfs/dbraw/zinc/12/57/24/182125724.db2.gz ZGHQDJNBPHLYCE-UHFFFAOYSA-N 0 3 302.422 1.971 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(CN)COC ZINC000218084858 257131549 /nfs/dbraw/zinc/13/15/49/257131549.db2.gz KSHXAXZOAQSFCB-RBSFLKMASA-N 0 3 313.419 1.187 40 0 DDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@]2(N)CN)cc1 ZINC000252515001 257106138 /nfs/dbraw/zinc/10/61/38/257106138.db2.gz FSMVVSJHQLJGST-GVDBMIGSSA-N 0 3 316.426 1.591 40 0 DDABHN NC[C@@H]1CCN(Cc2ccc(Cl)c(Cl)c2)S1(=O)=O ZINC000222537875 407558944 /nfs/dbraw/zinc/55/89/44/407558944.db2.gz UCJZWSKRRXMJOJ-VIFPVBQESA-N 0 3 309.218 1.856 40 0 DDABHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000001569792 406670799 /nfs/dbraw/zinc/67/07/99/406670799.db2.gz FVNPLMZSNACTDL-ZFWWWQNUSA-N 0 3 316.405 1.054 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C)c1 ZINC000006953160 406744365 /nfs/dbraw/zinc/74/43/65/406744365.db2.gz RHCLVYQGDFZIOU-HNNXBMFYSA-N 0 3 303.406 1.842 40 0 DDABHN Cc1nc2ncc3c(ccn(CCN4CCCCC4)c3=O)n2n1 ZINC000013638708 406864279 /nfs/dbraw/zinc/86/42/79/406864279.db2.gz VYGPWEQLGKKAKP-UHFFFAOYSA-N 0 3 312.377 1.234 40 0 DDABHN CN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228723 407253760 /nfs/dbraw/zinc/25/37/60/407253760.db2.gz WERSMCXLZVDXSL-INIZCTEOSA-N 0 3 308.447 1.861 40 0 DDABHN COc1ccc(CN2C(=O)CCC23CCN(CCO)CC3)cc1 ZINC000096228327 407254328 /nfs/dbraw/zinc/25/43/28/407254328.db2.gz BULISLDDTNZXEE-UHFFFAOYSA-N 0 3 318.417 1.645 40 0 DDABHN CCN(C)c1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096255798 407257055 /nfs/dbraw/zinc/25/70/55/407257055.db2.gz PPSJITJZSFSKDW-UHFFFAOYSA-N 0 3 300.410 1.267 40 0 DDABHN N[C@@H](c1n[nH]c(CCN2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000095533985 407215283 /nfs/dbraw/zinc/21/52/83/407215283.db2.gz IUVZTHAGERCKNA-CQSZACIVSA-N 0 3 321.812 1.381 40 0 DDABHN COCCN1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040057 407225285 /nfs/dbraw/zinc/22/52/85/407225285.db2.gz XMFITNAHAOLRIU-DLBZAZTESA-N 0 3 306.406 1.978 40 0 DDABHN Cc1cc(C(=O)N2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)no1 ZINC000096040600 407225713 /nfs/dbraw/zinc/22/57/13/407225713.db2.gz GCIRGGMFBODOFN-IMJJTQAJSA-N 0 3 319.405 1.698 40 0 DDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3cccnc3)C[C@H]2N1C(C)C ZINC000096054232 407229101 /nfs/dbraw/zinc/22/91/01/407229101.db2.gz XCNVCDQLKOECLP-HRCADAONSA-N 0 3 302.422 1.111 40 0 DDABHN Cn1cc(CNC[C@H]2Cn3nnc(-c4ccccc4)c3CO2)cn1 ZINC000096061077 407231386 /nfs/dbraw/zinc/23/13/86/407231386.db2.gz GZBCZIMXCMWCDI-HNNXBMFYSA-N 0 3 324.388 1.367 40 0 DDABHN CN(C)C(=O)CN1CC[C@@H]2[C@@H]1CCN2Cc1ccc(F)cc1 ZINC000096184383 407244720 /nfs/dbraw/zinc/24/47/20/407244720.db2.gz QESRUIFEKMCXRF-CVEARBPZSA-N 0 3 305.397 1.563 40 0 DDABHN CCS(=O)(=O)N[C@@H]1CCO[C@]2(CCN(C3CCC3)C2)C1 ZINC000096208694 407250673 /nfs/dbraw/zinc/25/06/73/407250673.db2.gz WGBTXRGILPSHCO-TZMCWYRMSA-N 0 3 302.440 1.102 40 0 DDABHN CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1ccc(CO)o1 ZINC000067890277 407289068 /nfs/dbraw/zinc/28/90/68/407289068.db2.gz LXEFAUSXXGGCRY-BZNIZROVSA-N 0 3 320.389 1.999 40 0 biogenic,in-vitro DDABHN O=C(N[C@@H]1CN(C[C@@H]2CCOC2)[C@@H]2COC[C@H]12)c1ccsc1 ZINC000107201407 407370610 /nfs/dbraw/zinc/37/06/10/407370610.db2.gz HLKCHJORFLCWNJ-ZGKBOVNRSA-N 0 3 322.430 1.214 40 0 DDABHN CC(C)N(C)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2 ZINC000107212024 407371036 /nfs/dbraw/zinc/37/10/36/407371036.db2.gz CAWKZGDTBQZWFY-OAHLLOKOSA-N 0 3 306.454 1.618 40 0 DDABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2cnc[nH]2)n1 ZINC000257200709 407490779 /nfs/dbraw/zinc/49/07/79/407490779.db2.gz AEOUWSNOOJAOEY-HNNXBMFYSA-N 0 3 300.410 1.907 40 0 DDABHN COCCN1CC[C@@H]2OCC(=O)N(c3ccc(F)cc3)[C@H]2CC1 ZINC000257218068 407499560 /nfs/dbraw/zinc/49/95/60/407499560.db2.gz DBTFTLADLDMWCK-HOTGVXAUSA-N 0 3 322.380 1.668 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2CC2CCOCC2)c1 ZINC000257248185 407517430 /nfs/dbraw/zinc/51/74/30/407517430.db2.gz JCNROHYUCIKNGW-QGZVFWFLSA-N 0 3 317.433 1.419 40 0 DDABHN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218523629 407521874 /nfs/dbraw/zinc/52/18/74/407521874.db2.gz LDZDZSWXYYZRHV-GVDBMIGSSA-N 0 3 316.426 1.591 40 0 DDABHN Cc1cccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)n1 ZINC000248157353 408540493 /nfs/dbraw/zinc/54/04/93/408540493.db2.gz ZQZVEFVKZAZYMR-MSOLQXFVSA-N 0 3 319.449 1.702 40 0 DDABHN CN(C[C@H]1CCCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412341 185170552 /nfs/dbraw/zinc/17/05/52/185170552.db2.gz QJTAFXJTNAEROX-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN NCC(=O)NC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392822 185168396 /nfs/dbraw/zinc/16/83/96/185168396.db2.gz QCNYPKOTADMOIS-AWEZNQCLSA-N 0 3 305.378 1.110 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393234 185168925 /nfs/dbraw/zinc/16/89/25/185168925.db2.gz KKCPMPUDECUYNY-GJZGRUSLSA-N 0 3 319.405 1.497 40 0 DDABHN Fc1cnc(N2CCC[C@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 ZINC000096158345 283034161 /nfs/dbraw/zinc/03/41/61/283034161.db2.gz HPCIPRYVNUJZCO-GDBMZVCRSA-N 0 3 306.385 1.697 40 0 DDABHN Cc1ccc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)cn1 ZINC000585097265 354804684 /nfs/dbraw/zinc/80/46/84/354804684.db2.gz JMQKBXDAMFFASS-HNNXBMFYSA-N 0 3 313.405 1.563 40 0 DDABHN CO[C@@H]1COC[C@@H](N(C)Cc2ccc(-n3cccn3)cc2)[C@@H]1O ZINC000585291602 354826575 /nfs/dbraw/zinc/82/65/75/354826575.db2.gz QPVLMOMXWDYQMN-ZACQAIPSSA-N 0 3 317.389 1.079 40 0 DDABHN CC(=O)N1[C@H]2CCN(Cc3cccnc3)C[C@@H]2C[C@]1(C)CO ZINC000257307770 203032658 /nfs/dbraw/zinc/03/26/58/203032658.db2.gz TUBCFFXKEGCQRG-YESZJQIVSA-N 0 3 303.406 1.275 40 0 DDABHN CN(CC(=O)N1C[C@@H](O)[C@H](Oc2ccccc2)C1)C1CCCC1 ZINC000257292853 203016953 /nfs/dbraw/zinc/01/69/53/203016953.db2.gz QNEYWOCBUSAEHS-IAGOWNOFSA-N 0 3 318.417 1.512 40 0 DDABHN CNC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)N1 ZINC000257291388 203017011 /nfs/dbraw/zinc/01/70/11/203017011.db2.gz QGSYTJGGQUOJHN-RDBSUJKOSA-N 0 3 319.405 1.729 40 0 DDABHN CNc1ncccc1CN1CCC[C@H](Cc2nccnc2N)C1 ZINC000257337324 203060172 /nfs/dbraw/zinc/06/01/72/203060172.db2.gz YSIYUPHXYBCVHQ-CYBMUJFWSA-N 0 3 312.421 1.950 40 0 DDABHN CC(C)c1ccc([C@H](N)CNC(=O)C[C@@H]2COCCN2)cc1 ZINC000261969622 203163698 /nfs/dbraw/zinc/16/36/98/203163698.db2.gz CQWVWHNRUZDOQB-HZPDHXFCSA-N 0 3 305.422 1.305 40 0 DDABHN COc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)c(OC)c1 ZINC000019575251 182130926 /nfs/dbraw/zinc/13/09/26/182130926.db2.gz VWIYNOSNUHBASB-VHDGCEQUSA-N 0 3 306.406 1.343 40 0 DDABHN COc1cc(OC)c([C@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000062712683 257128818 /nfs/dbraw/zinc/12/88/18/257128818.db2.gz IUPYXDQHHMQQBS-OBJOEFQTSA-N 0 3 324.421 1.821 40 0 DDABHN CCN1CC2(C1)CN(Cc1ccccc1)C[C@H]1C[C@@H](O)CN12 ZINC000514289136 257216512 /nfs/dbraw/zinc/21/65/12/257216512.db2.gz IHKULDNGWBVDKQ-IAGOWNOFSA-N 0 3 301.434 1.012 40 0 biogenic,in-vitro DDABHN CCOC[C@@H]1CN(CCN2CCCCC2)Cc2ncn(C)c21 ZINC000096068627 286153073 /nfs/dbraw/zinc/15/30/73/286153073.db2.gz CZPBQRDYSOEBTH-HNNXBMFYSA-N 0 3 306.454 1.842 40 0 DDABHN NC[C@H]1CCN(Cc2ccc(Br)cc2)S1(=O)=O ZINC000222538614 407558723 /nfs/dbraw/zinc/55/87/23/407558723.db2.gz VXTQNKVQTQQBRN-LLVKDONJSA-N 0 3 319.224 1.312 40 0 DDABHN CN(C)CCNC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615363 406980751 /nfs/dbraw/zinc/98/07/51/406980751.db2.gz DBPIDVBJGBKGJB-GFCCVEGCSA-N 0 3 313.760 1.650 40 0 DDABHN CC(C)N(C[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391286 407054466 /nfs/dbraw/zinc/05/44/66/407054466.db2.gz BVGLIYXLEXRKAH-QWHCGFSZSA-N 0 3 313.442 1.970 40 0 DDABHN O=C(NCC1CC1)[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096217745 407252335 /nfs/dbraw/zinc/25/23/35/407252335.db2.gz IYNSMUPMHWMZIQ-NVXWUHKLSA-N 0 3 301.390 1.056 40 0 DDABHN CC(C)CN1CC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096226043 407252708 /nfs/dbraw/zinc/25/27/08/407252708.db2.gz JCUWPFFKYNDFSA-MRXNPFEDSA-N 0 3 302.378 1.897 40 0 DDABHN CNC(=O)C[C@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1 ZINC000096220302 407253105 /nfs/dbraw/zinc/25/31/05/407253105.db2.gz DQQJXOOVYPLPTE-SQWLQELKSA-N 0 3 304.390 1.421 40 0 DDABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096054158 407229391 /nfs/dbraw/zinc/22/93/91/407229391.db2.gz HXMWKSDZMCZRLF-HUUCEWRRSA-N 0 3 323.400 1.466 40 0 DDABHN CN(C)CCO[C@H]1CN(Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096057455 407231029 /nfs/dbraw/zinc/23/10/29/407231029.db2.gz IOAMHYMTHPRNIO-IKGGRYGDSA-N 0 3 305.422 1.392 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1ccccn1)C2 ZINC000096062312 407232597 /nfs/dbraw/zinc/23/25/97/407232597.db2.gz IERNRLRHNPCFLV-QGZVFWFLSA-N 0 3 305.422 1.252 40 0 DDABHN CN(C)C(=O)CN1CC[C@@]2(CCCN(Cc3ccoc3)C2)C1=O ZINC000096073983 407234934 /nfs/dbraw/zinc/23/49/34/407234934.db2.gz ODMRXLKGTFIARM-QGZVFWFLSA-N 0 3 319.405 1.182 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@@H]2C1 ZINC000096107949 407238105 /nfs/dbraw/zinc/23/81/05/407238105.db2.gz IKSKPZNWYZPSAJ-SMDDNHRTSA-N 0 3 312.772 1.882 40 0 DDABHN c1ccc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)nc1 ZINC000096183333 407243803 /nfs/dbraw/zinc/24/38/03/407243803.db2.gz PFHMFFQZPSSWMO-FUHWJXTLSA-N 0 3 310.401 1.814 40 0 DDABHN COc1cccc(CC(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 ZINC000096201952 407248791 /nfs/dbraw/zinc/24/87/91/407248791.db2.gz XQENNXHRQSYJLX-SFHVURJKSA-N 0 3 318.417 1.418 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218443259 407518211 /nfs/dbraw/zinc/51/82/11/407518211.db2.gz AHYIIUOXWGVNDO-JYJNAYRXSA-N 0 3 311.447 1.877 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NC2CCOCC2)c1 ZINC000257250280 407521558 /nfs/dbraw/zinc/52/15/58/407521558.db2.gz JLWRBUAGPGMQAZ-UHFFFAOYSA-N 0 3 300.362 1.240 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218558422 407521810 /nfs/dbraw/zinc/52/18/10/407521810.db2.gz FOCCYJDNKLSTBP-ILXRZTDVSA-N 0 3 315.410 1.708 40 0 DDABHN O=C(NC[C@@H]1CC[C@H]2[C@H]1OCCN2CC1CC1)c1cnccn1 ZINC000247467276 408475002 /nfs/dbraw/zinc/47/50/02/408475002.db2.gz DBAWANKCMMSDPU-BPUTZDHNSA-N 0 3 316.405 1.096 40 0 DDABHN O=C1C[C@@H]2[C@H](CCN2Cc2cccs2)N1c1cncnc1 ZINC000107251843 275019940 /nfs/dbraw/zinc/01/99/40/275019940.db2.gz DWLWZAIODHQHLR-UONOGXRCSA-N 0 3 300.387 1.918 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410083 280272177 /nfs/dbraw/zinc/27/21/77/280272177.db2.gz JFPOOFAVDLWUCM-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN N[C@H](CN1C(=O)CCCC1=O)c1ccc(Br)cc1 ZINC000228981636 563914653 /nfs/dbraw/zinc/91/46/53/563914653.db2.gz VUVMEHUTSCGIFQ-LLVKDONJSA-N 0 3 311.179 1.988 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079412733 185170236 /nfs/dbraw/zinc/17/02/36/185170236.db2.gz QYLQUESVQLCWGO-JSGCOSHPSA-N 0 3 305.378 1.203 40 0 DDABHN CCN(C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391265 185168049 /nfs/dbraw/zinc/16/80/49/185168049.db2.gz NBINUTNWAMSZOJ-QWHCGFSZSA-N 0 3 313.442 1.829 40 0 DDABHN COC(=O)[C@H]1CCCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000092932702 353876605 /nfs/dbraw/zinc/87/66/05/353876605.db2.gz HAWFJOPCIMCWLG-STQMWFEESA-N 0 3 312.410 1.881 40 0 DDABHN NC[C@@H]1CN(c2ccc(I)cc2)C(=O)O1 ZINC000209089527 354308728 /nfs/dbraw/zinc/30/87/28/354308728.db2.gz AMCBGYXMMCLQKE-SECBINFHSA-N 0 3 318.114 1.575 40 0 DDABHN O=C(c1ccncc1)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019404843 182121800 /nfs/dbraw/zinc/12/18/00/182121800.db2.gz OBIWSADTRFPOEK-AWEZNQCLSA-N 0 3 323.400 1.537 40 0 DDABHN COCCNC(=O)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 ZINC000096041129 256552870 /nfs/dbraw/zinc/55/28/70/256552870.db2.gz YSIHEZZGRZLJRS-SOUVJXGZSA-N 0 3 324.446 1.348 40 0 DDABHN Cc1ccc([C@H](Cc2ccccc2)NC(CO)(CO)CO)cc1 ZINC000001668723 406674597 /nfs/dbraw/zinc/67/45/97/406674597.db2.gz JDDYFRSDPUEBLF-SFHVURJKSA-N 0 3 315.413 1.584 40 0 DDABHN COCCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2C)C1 ZINC000096419277 407263019 /nfs/dbraw/zinc/26/30/19/407263019.db2.gz KACHNQXAZBXJQJ-HYVNUMGLSA-N 0 3 302.418 1.935 40 0 DDABHN CNC(=O)C[C@@H]1C[C@H]2CN(Cc3cccc(OC)c3)C[C@H]2O1 ZINC000096220330 407253062 /nfs/dbraw/zinc/25/30/62/407253062.db2.gz YNBGLJQYORJMSP-CWRNSKLLSA-N 0 3 304.390 1.421 40 0 DDABHN CC(C)CN1CC[C@@]2(CC(C(=O)NCc3cccnc3)=NO2)C1 ZINC000096225813 407253220 /nfs/dbraw/zinc/25/32/20/407253220.db2.gz OHXBJHMTAQQFMU-QGZVFWFLSA-N 0 3 316.405 1.575 40 0 DDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@@H]3C2)n1 ZINC000096043307 407226468 /nfs/dbraw/zinc/22/64/68/407226468.db2.gz WTCXGCXQNIUCST-IXDOHACOSA-N 0 3 317.433 1.705 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 ZINC000096056476 407229886 /nfs/dbraw/zinc/22/98/86/407229886.db2.gz WMMOKPFNHUTKSU-IAGOWNOFSA-N 0 3 319.424 1.953 40 0 DDABHN O=C(c1ccno1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096076314 407234963 /nfs/dbraw/zinc/23/49/63/407234963.db2.gz GZKIQKPSGJNNST-QGZVFWFLSA-N 0 3 319.405 1.639 40 0 DDABHN COc1ccc(CN2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 ZINC000107226698 407370822 /nfs/dbraw/zinc/37/08/22/407370822.db2.gz LQKPGVQIWDUWSZ-NVXWUHKLSA-N 0 3 314.389 1.893 40 0 DDABHN O=C1CCCN1CC[C@@H]1CCOC12CN(CC1CCOCC1)C2 ZINC000253616761 407464761 /nfs/dbraw/zinc/46/47/61/407464761.db2.gz RBEIIYIGPKAKDT-MRXNPFEDSA-N 0 3 322.449 1.516 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccccn2)c1 ZINC000257211837 407495845 /nfs/dbraw/zinc/49/58/45/407495845.db2.gz CAQLRGHGMUZTLW-QGZVFWFLSA-N 0 3 310.401 1.588 40 0 DDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000257253117 407519439 /nfs/dbraw/zinc/51/94/39/407519439.db2.gz JXPVCVFXKREWAF-CYBMUJFWSA-N 0 3 311.376 1.417 40 0 DDABHN NCc1cn(-c2ccccc2C(=O)NCCc2ccccn2)cn1 ZINC000257255010 407520997 /nfs/dbraw/zinc/52/09/97/407520997.db2.gz KFSPPPORNUNPPN-UHFFFAOYSA-N 0 3 321.384 1.699 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079412397 185170302 /nfs/dbraw/zinc/17/03/02/185170302.db2.gz MNGFFFMMYKIFID-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN CCn1cc(CN2CCC[C@H](OC)[C@@H]2CCC(=O)N(C)C)cn1 ZINC000585275561 354819759 /nfs/dbraw/zinc/81/97/59/354819759.db2.gz GORSSQGULKPYPS-HOTGVXAUSA-N 0 3 322.453 1.751 40 0 DDABHN CCN1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 ZINC000585288695 354825447 /nfs/dbraw/zinc/82/54/47/354825447.db2.gz HVJHTVWIEHSINR-RCCFBDPRSA-N 0 3 304.434 1.985 40 0 DDABHN CN1CC[C@H](c2nc(CNC(=O)CC3(O)CCCCC3)c[nH]2)C1 ZINC000257274511 203001868 /nfs/dbraw/zinc/00/18/68/203001868.db2.gz NLJDWAVKBDJUBD-ZDUSSCGKSA-N 0 3 320.437 1.530 40 0 DDABHN O=C(N1C[C@@H](O)[C@H](N2CCCC2)C1)C1(c2ccccc2F)CC1 ZINC000257310518 203034109 /nfs/dbraw/zinc/03/41/09/203034109.db2.gz UFKAKCWJSWPTFP-HZPDHXFCSA-N 0 3 318.392 1.525 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2ccc3cc[nH]c3c2)CC[C@@H]1O ZINC000257324080 203047885 /nfs/dbraw/zinc/04/78/85/203047885.db2.gz WNBGMGVCOMZZGW-RDJZCZTQSA-N 0 3 301.390 1.629 40 0 DDABHN COc1ccc(CN2CCc3nc(C)[nH]c(=O)c3CC2)c(F)c1 ZINC000019286438 182112649 /nfs/dbraw/zinc/11/26/49/182112649.db2.gz WHUREZHILRLYDT-UHFFFAOYSA-N 0 3 317.364 1.827 40 0 DDABHN C[C@@H](CN1CCCCCC1)NC(=O)c1nc2ncccn2n1 ZINC000019456155 182123818 /nfs/dbraw/zinc/12/38/18/182123818.db2.gz DMGXPZZJVIVIHP-LBPRGKRZSA-N 0 3 302.382 1.119 40 0 DDABHN CN1CCN(CCCNC(=O)CCSc2ccccc2)CC1 ZINC000022934834 182342248 /nfs/dbraw/zinc/34/22/48/182342248.db2.gz QDKSXAJGDYBCPL-UHFFFAOYSA-N 0 3 321.490 1.923 40 0 DDABHN CC(=O)N1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072225643 257123434 /nfs/dbraw/zinc/12/34/34/257123434.db2.gz IJFJCGFOWSUJGT-SFHVURJKSA-N 0 3 310.401 1.798 40 0 DDABHN CCOC[C@]1(CN)C[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218001726 257131881 /nfs/dbraw/zinc/13/18/81/257131881.db2.gz AVVOSUKEBKSAHU-CHWSQXEVSA-N 0 3 303.811 1.868 40 0 DDABHN Cc1cc(C)n2nc(C(=O)NCCN3CCCCCC3)cc2n1 ZINC000035315260 406971002 /nfs/dbraw/zinc/97/10/02/406971002.db2.gz YHJVCEKBZMNWFZ-UHFFFAOYSA-N 0 3 315.421 1.952 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)COc3ccccc3)CC[C@@H]2C1 ZINC000096249560 407255807 /nfs/dbraw/zinc/25/58/07/407255807.db2.gz VDTSJMILWCHENU-GDBMZVCRSA-N 0 3 304.390 1.245 40 0 DDABHN CC(C)N(C)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@H]12 ZINC000096040589 407225121 /nfs/dbraw/zinc/22/51/21/407225121.db2.gz DSCUMUKVCULUBS-CFVMTHIKSA-N 0 3 308.401 1.940 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3nccn3C)C2)C1 ZINC000096076259 407234838 /nfs/dbraw/zinc/23/48/38/407234838.db2.gz YSURDIBCCORALR-QGZVFWFLSA-N 0 3 320.437 1.383 40 0 DDABHN c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096072939 407235391 /nfs/dbraw/zinc/23/53/91/407235391.db2.gz VSMNBXKPHKSAHQ-DOTOQJQBSA-N 0 3 311.389 1.717 40 0 DDABHN O=C([C@@H]1CCOC1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202764 407249553 /nfs/dbraw/zinc/24/95/53/407249553.db2.gz BWYIHCZIFNYEEA-CQSZACIVSA-N 0 3 306.431 1.819 40 0 DDABHN COCCN1CCCC2(CCN(Cc3cnc(C)[nH]3)CC2)C1=O ZINC000108534586 407387320 /nfs/dbraw/zinc/38/73/20/407387320.db2.gz WGPFDUNSTWFLRN-UHFFFAOYSA-N 0 3 320.437 1.569 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1O ZINC000257256921 407523402 /nfs/dbraw/zinc/52/34/02/407523402.db2.gz KNKFEZKGALQTNQ-HZPDHXFCSA-N 0 3 303.406 1.034 40 0 DDABHN CNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257323325 277010641 /nfs/dbraw/zinc/01/06/41/277010641.db2.gz WJRWHVPGGSVYCJ-SFHVURJKSA-N 0 3 317.433 1.737 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000079410079 280272661 /nfs/dbraw/zinc/27/26/61/280272661.db2.gz JFPOOFAVDLWUCM-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN CN(C)CCN1C(=O)CC[C@]12CCCN(C(=O)N(C)C)CC2 ZINC000096071929 289151992 /nfs/dbraw/zinc/15/19/92/289151992.db2.gz JNQNHTBDSMGGDX-INIZCTEOSA-N 0 3 310.442 1.077 40 0 DDABHN CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)CN)C1 ZINC000079412446 185170183 /nfs/dbraw/zinc/17/01/83/185170183.db2.gz XMZFXTQJXILMAV-OAHLLOKOSA-N 0 3 319.405 1.593 40 0 DDABHN C[C@H](N)C(=O)N1CCC(N(C)C(=O)OCc2ccccc2)CC1 ZINC000079412782 185170418 /nfs/dbraw/zinc/17/04/18/185170418.db2.gz WJZOYBADOXBNHO-ZDUSSCGKSA-N 0 3 319.405 1.593 40 0 DDABHN C[C@H](N)C(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079412693 185170431 /nfs/dbraw/zinc/17/04/31/185170431.db2.gz YXKOACTUHVBKSQ-LBPRGKRZSA-N 0 3 305.378 1.251 40 0 DDABHN C[C@@H](C(=O)N(C)[C@@H](C)CS(C)(=O)=O)[C@@H](N)c1ccccc1 ZINC000195543482 295708335 /nfs/dbraw/zinc/70/83/35/295708335.db2.gz CYUQJCKGOSBDPD-OUCADQQQSA-N 0 3 312.435 1.214 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(S(=O)(=O)C(C)C)C2)n1 ZINC000072385952 191144695 /nfs/dbraw/zinc/14/46/95/191144695.db2.gz UAAZXFDUGDPJBT-CYBMUJFWSA-N 0 3 311.451 1.984 40 0 DDABHN CCN1C(=O)C2C(=O)N(C(C)(C)C)[C@H](c3ccccc3)[C@H]2C1=O ZINC000140531450 354136305 /nfs/dbraw/zinc/13/63/05/354136305.db2.gz QCEWTPJGSRWSLZ-MELADBBJSA-N 0 3 314.385 1.990 40 0 DDABHN COCCN1CCC(c2cccc(N3CCOC3=O)n2)CC1 ZINC000585178804 354817778 /nfs/dbraw/zinc/81/77/78/354817778.db2.gz MNJBRVJJDTVQBX-UHFFFAOYSA-N 0 3 305.378 1.864 40 0 DDABHN CC(C)c1ccc(CN2[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2C(C)C)cc1 ZINC000585294817 354826548 /nfs/dbraw/zinc/82/65/48/354826548.db2.gz KOEHUFGBRGGPLN-XDNAFOTISA-N 0 3 307.434 1.733 40 0 DDABHN Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCN(C)CC1 ZINC000020489714 182223675 /nfs/dbraw/zinc/22/36/75/182223675.db2.gz MMAGKLNXUDODBP-MRXNPFEDSA-N 0 3 319.449 1.516 40 0 DDABHN CCc1ccc(NC(=O)C(=O)NC[C@H]2CCCN2CC)cc1 ZINC000008085971 406777074 /nfs/dbraw/zinc/77/70/74/406777074.db2.gz ONQWTEFFJCBCAS-OAHLLOKOSA-N 0 3 303.406 1.788 40 0 DDABHN CCOC(=O)[C@H]1CCCN(C[C@@H](O)COC2CCCCC2)C1 ZINC000027533959 406911080 /nfs/dbraw/zinc/91/10/80/406911080.db2.gz ODCLSMNDBFQLNF-LSDHHAIUSA-N 0 3 313.438 1.972 40 0 DDABHN CC(=O)N1CCO[C@]2(CCCN(CCc3ccccc3)C2)C1 ZINC000096268774 407258166 /nfs/dbraw/zinc/25/81/66/407258166.db2.gz NENNCQDERNCTKY-SFHVURJKSA-N 0 3 302.418 1.942 40 0 DDABHN O=C([C@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCO1 ZINC000096040798 407225500 /nfs/dbraw/zinc/22/55/00/407225500.db2.gz WBBJDNGCCZGSJB-KFWWJZLASA-N 0 3 322.430 1.606 40 0 DDABHN c1coc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)c1 ZINC000096054374 407229994 /nfs/dbraw/zinc/22/99/94/407229994.db2.gz HXSHLMVFPXEBMA-SJORKVTESA-N 0 3 305.422 1.260 40 0 DDABHN CN(C)CC(=O)N1CCC[C@]2(CCCN2Cc2ccncc2)C1 ZINC000096071490 407234258 /nfs/dbraw/zinc/23/42/58/407234258.db2.gz NUCWVGPTGHLWIH-SFHVURJKSA-N 0 3 316.449 1.600 40 0 DDABHN COc1ccc(Cl)c(C(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)c1 ZINC000096107955 407237795 /nfs/dbraw/zinc/23/77/95/407237795.db2.gz SULNJZBDRZHTMN-XHDPSFHLSA-N 0 3 324.808 1.751 40 0 DDABHN Fc1ccccc1CN1C[C@@H]2COC[C@]2(CN2CCOCC2)C1 ZINC000096108280 407237825 /nfs/dbraw/zinc/23/78/25/407237825.db2.gz KYAIRFUMXXTPMY-AEFFLSMTSA-N 0 3 320.408 1.606 40 0 DDABHN O=C(CC(F)(F)F)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161511 407242589 /nfs/dbraw/zinc/24/25/89/407242589.db2.gz VVGQDNWNRFZKLV-BETUJISGSA-N 0 3 313.323 1.924 40 0 DDABHN c1nc2n(c1CN1CCCCC1)CCN([C@@H]1CCOC1)CC2 ZINC000096196895 407246700 /nfs/dbraw/zinc/24/67/00/407246700.db2.gz GFRRFSDXJZUPQN-OAHLLOKOSA-N 0 3 304.438 1.516 40 0 DDABHN Cc1ccc(NCc2cnc3n2CCN(C(C)C)CC3)nn1 ZINC000096197134 407247377 /nfs/dbraw/zinc/24/73/77/407247377.db2.gz DLQZJWPIGPACRL-UHFFFAOYSA-N 0 3 300.410 1.860 40 0 DDABHN CN1CC[C@]2(C1)COCCN(C(=O)CCc1ccccc1)C2 ZINC000096201953 407248917 /nfs/dbraw/zinc/24/89/17/407248917.db2.gz DHSRCWFPMHFYMB-GOSISDBHSA-N 0 3 302.418 1.800 40 0 DDABHN CC(C)COc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000408707467 418810603 /nfs/dbraw/zinc/81/06/03/418810603.db2.gz BPFKUZYZTHFAMC-UHFFFAOYSA-N 0 3 307.394 1.338 40 0 DDABHN NNc1cc(I)c(C(F)(F)F)cn1 ZINC000199545547 279660103 /nfs/dbraw/zinc/66/01/03/279660103.db2.gz WYPJSZJXJFGSEU-UHFFFAOYSA-N 0 3 303.025 1.991 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@H](CN(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409886 185169717 /nfs/dbraw/zinc/16/97/17/185169717.db2.gz BMQYPODQRWUAGO-RYUDHWBXSA-N 0 3 311.426 1.582 40 0 DDABHN CN(C[C@H]1CCCN(C(=O)CN)C1)C(=O)OCc1ccccc1 ZINC000079412324 185170485 /nfs/dbraw/zinc/17/04/85/185170485.db2.gz XNUWVGMSWWRGHM-OAHLLOKOSA-N 0 3 319.405 1.452 40 0 DDABHN O=C(C1CC(F)(F)C1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093723 354803406 /nfs/dbraw/zinc/80/34/06/354803406.db2.gz AMIODWZBFAAUEL-LBPRGKRZSA-N 0 3 314.376 1.337 40 0 DDABHN CO[C@@H]1CCN(Cc2ccncc2)C[C@H]1CC(=O)N1CCCC1 ZINC000585275101 354819660 /nfs/dbraw/zinc/81/96/60/354819660.db2.gz WQGFGKOGXFWKJC-IAGOWNOFSA-N 0 3 317.433 1.931 40 0 DDABHN CN1C[C@@H]2CN(C(=O)NC3CCCCC3)CCN2C(C)(C)C1 ZINC000253406545 283207946 /nfs/dbraw/zinc/20/79/46/283207946.db2.gz URTHDJAHBYZTHJ-OAHLLOKOSA-N 0 3 308.470 1.739 40 0 biogenic,in-vitro DDABHN O=C1CCCN1c1ccc(CN2C[C@H](O)[C@]3(CCCO3)C2)cc1 ZINC000257285404 203012308 /nfs/dbraw/zinc/01/23/08/203012308.db2.gz PGYHHETVBWRILY-WMZOPIPTSA-N 0 3 316.401 1.539 40 0 DDABHN O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257289451 203014708 /nfs/dbraw/zinc/01/47/08/203014708.db2.gz PYRJRUOAUUKCIO-HUUCEWRRSA-N 0 3 308.809 1.550 40 0 DDABHN CC(=O)N[C@H]1CCN(CC2=Cc3ccccc3OC2)CC[C@@H]1O ZINC000257344576 203066237 /nfs/dbraw/zinc/06/62/37/203066237.db2.gz ZXWUZTMVNYFZPB-IRXDYDNUSA-N 0 3 316.401 1.424 40 0 DDABHN CCOC(=O)Cc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 ZINC000022012840 182303843 /nfs/dbraw/zinc/30/38/43/182303843.db2.gz ANQVKHGDALCPFZ-UHFFFAOYSA-N 0 3 302.378 1.420 40 0 DDABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 ZINC000223254217 407565310 /nfs/dbraw/zinc/56/53/10/407565310.db2.gz IRIOAENNHLUQDV-CABCVRRESA-N 0 3 315.446 1.944 40 0 DDABHN CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCC(N)=O ZINC000008253777 406780857 /nfs/dbraw/zinc/78/08/57/406780857.db2.gz WTMAZLURUGPJFY-VIFPVBQESA-N 0 3 316.785 1.073 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccccn2)[C@H]1Cc1ccncc1 ZINC000096061739 407231865 /nfs/dbraw/zinc/23/18/65/407231865.db2.gz KVEZBFRKFDDPCZ-SJORKVTESA-N 0 3 310.401 1.864 40 0 DDABHN c1ccc(CCN2C[C@@H]3[C@H](C2)OCCN3c2cncnc2)cc1 ZINC000096081791 407235873 /nfs/dbraw/zinc/23/58/73/407235873.db2.gz HQCZYVJLOFGOJS-MSOLQXFVSA-N 0 3 310.401 1.609 40 0 DDABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096108293 407237621 /nfs/dbraw/zinc/23/76/21/407237621.db2.gz QNBNLORJVUIMIS-HIFRSBDPSA-N 0 3 309.435 1.468 40 0 DDABHN Cc1cccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)n1 ZINC000096108276 407237747 /nfs/dbraw/zinc/23/77/47/407237747.db2.gz NQTUWECNCXTOCJ-AEFFLSMTSA-N 0 3 317.433 1.171 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccc(OC)c1)CC[C@H]2OC ZINC000096108525 407237865 /nfs/dbraw/zinc/23/78/65/407237865.db2.gz FFNMTCLHABECBU-GVDBMIGSSA-N 0 3 318.417 1.876 40 0 DDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NCC2CC2)C1 ZINC000096110025 407238353 /nfs/dbraw/zinc/23/83/53/407238353.db2.gz DHXLICXUWPYECT-CZUORRHYSA-N 0 3 321.446 1.426 40 0 DDABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C[C@H]1CCOC1 ZINC000096184588 407244829 /nfs/dbraw/zinc/24/48/29/407244829.db2.gz RPIPUWPBSGSKSH-BNOWGMLFSA-N 0 3 307.419 1.468 40 0 DDABHN CN1CC[C@]2(C1)COCCN(C(=O)Cc1cccc(F)c1)C2 ZINC000096201923 407248705 /nfs/dbraw/zinc/24/87/05/407248705.db2.gz YYRVZWFNAUHELQ-QGZVFWFLSA-N 0 3 306.381 1.549 40 0 DDABHN COCC(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202185 407249888 /nfs/dbraw/zinc/24/98/88/407249888.db2.gz XUGUYORUTLHYRQ-INIZCTEOSA-N 0 3 324.446 1.445 40 0 DDABHN COc1ccccc1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 ZINC000108528011 407387480 /nfs/dbraw/zinc/38/74/80/407387480.db2.gz VOKALDGNMIECAS-UHFFFAOYSA-N 0 3 324.446 1.599 40 0 DDABHN O=C(c1csc2c1CCCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257224493 407504522 /nfs/dbraw/zinc/50/45/22/407504522.db2.gz FCADQZNXDARMRR-HUUCEWRRSA-N 0 3 320.458 1.908 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218470702 407518849 /nfs/dbraw/zinc/51/88/49/407518849.db2.gz NSWHTGUSYRGYPH-JYJNAYRXSA-N 0 3 311.447 1.741 40 0 DDABHN CC(C)(C)OC(=O)N(C[C@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079409392 278377673 /nfs/dbraw/zinc/37/76/73/278377673.db2.gz PTSPDCKVUZEZOX-CYBMUJFWSA-N 0 3 311.426 1.726 40 0 DDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1ccnn1C ZINC000072394847 282128785 /nfs/dbraw/zinc/12/87/85/282128785.db2.gz VHRNCRMGWKELSS-CQSZACIVSA-N 0 3 314.389 1.385 40 0 DDABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391385 185168106 /nfs/dbraw/zinc/16/81/06/185168106.db2.gz KKVMIKVNLQKLPX-OLZOCXBDSA-N 0 3 313.442 1.733 40 0 DDABHN CCN(CC1CCN(C(=O)[C@H](C)N)CC1)C(=O)OC(C)(C)C ZINC000079409733 185169439 /nfs/dbraw/zinc/16/94/39/185169439.db2.gz MWFLMXLOPSGYEA-LBPRGKRZSA-N 0 3 313.442 1.829 40 0 DDABHN O=C(NC1CC1)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096042765 193496065 /nfs/dbraw/zinc/49/60/65/193496065.db2.gz KBCMLLPJUCQKQL-CGTJXYLNSA-N 0 3 314.429 1.987 40 0 DDABHN Cc1noc(C)c1CN1CCC2(CC[C@@H](C(=O)N(C)C)O2)CC1 ZINC000096111111 193543502 /nfs/dbraw/zinc/54/35/02/193543502.db2.gz WIYXJACYZMLQKI-HNNXBMFYSA-N 0 3 321.421 1.893 40 0 DDABHN CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1 ZINC000059213756 184135873 /nfs/dbraw/zinc/13/58/73/184135873.db2.gz VHQRPCUSKCMDRB-GJZGRUSLSA-N 0 3 306.406 1.650 40 0 DDABHN O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@H]2CNC[C@@H]21 ZINC000306142674 285074698 /nfs/dbraw/zinc/07/46/98/285074698.db2.gz XGEWIVPMUNXCEE-OCCSQVGLSA-N 0 3 304.346 1.730 40 0 DDABHN CCS(=O)(=O)[C@@H]1CC[C@](CN)(NC(=O)OC(C)(C)C)C1 ZINC000217948271 257131876 /nfs/dbraw/zinc/13/18/76/257131876.db2.gz DHSJUDWNALRYAX-MFKMUULPSA-N 0 3 306.428 1.196 40 0 DDABHN Cc1occc1C(=O)N1CC[C@@H](N(C)C)[C@@H]1Cc1cnn(C)c1 ZINC000096061715 407232204 /nfs/dbraw/zinc/23/22/04/407232204.db2.gz MDZCMIIFJWVFPW-CVEARBPZSA-N 0 3 316.405 1.709 40 0 DDABHN CN(C)CCO[C@H]1CN(C(=O)Cc2ccccc2)[C@@H]2COC[C@H]12 ZINC000096064164 407232743 /nfs/dbraw/zinc/23/27/43/407232743.db2.gz NZBHCYTXNNIETK-BBWFWOEESA-N 0 3 318.417 1.033 40 0 DDABHN CN(C)CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccoc2)O1 ZINC000096186676 407245563 /nfs/dbraw/zinc/24/55/63/407245563.db2.gz YNAZJQJONKEMTG-PMPSAXMXSA-N 0 3 322.405 1.620 40 0 DDABHN CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2CCc2ccccc2)O1 ZINC000107207762 407371272 /nfs/dbraw/zinc/37/12/72/407371272.db2.gz BYQAIABASXGVFQ-BRWVUGGUSA-N 0 3 302.418 1.939 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 ZINC000257246433 407516744 /nfs/dbraw/zinc/51/67/44/407516744.db2.gz IUCCRYVYXGBRND-LJQANCHMSA-N 0 3 316.445 1.633 40 0 DDABHN COC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218420059 407517611 /nfs/dbraw/zinc/51/76/11/407517611.db2.gz NVTZOBTVXRSMQW-AVGNSLFASA-N 0 3 303.811 1.442 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2cccc(F)c2)[C@@]1(CN)COC ZINC000218544665 407522516 /nfs/dbraw/zinc/52/25/16/407522516.db2.gz VIEAGEMYHAWIPR-HZSPNIEDSA-N 0 3 301.383 1.318 40 0 DDABHN CC(C)(N)C(=O)N1CCC2(CO[C@H](Cc3cccnc3)C2)CC1 ZINC000257263211 407527134 /nfs/dbraw/zinc/52/71/34/407527134.db2.gz LOXDGENGZNAAQK-OAHLLOKOSA-N 0 3 317.433 1.759 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000079391400 280271050 /nfs/dbraw/zinc/27/10/50/280271050.db2.gz WHNQPDSOQMKUQU-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cncnc1 ZINC000257236564 290289177 /nfs/dbraw/zinc/28/91/77/290289177.db2.gz HCSWMUVCWRTDNY-QSJFSLAZSA-N 0 3 300.406 1.954 40 0 DDABHN C[C@H](N)C(=O)NC[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393027 185168356 /nfs/dbraw/zinc/16/83/56/185168356.db2.gz PVYRWOPHRRIRGG-JSGCOSHPSA-N 0 3 305.378 1.251 40 0 DDABHN COc1ccc(CCNC(=O)CNC[C@H]2CCCO2)cc1OC ZINC000004400551 181107742 /nfs/dbraw/zinc/10/77/42/181107742.db2.gz GPTOJUBVJNTQAA-CQSZACIVSA-N 0 3 322.405 1.131 40 0 DDABHN O=C1N(c2ncccn2)C[C@]12CCCN(C[C@@H]1CCCO1)C2 ZINC000585099376 354807144 /nfs/dbraw/zinc/80/71/44/354807144.db2.gz HSKNBQARQBMTMN-XJKSGUPXSA-N 0 3 302.378 1.084 40 0 DDABHN CN(C)C(=O)CN1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1 ZINC000585099621 354807313 /nfs/dbraw/zinc/80/73/13/354807313.db2.gz SLIYQVMTVIDNIN-GOSISDBHSA-N 0 3 321.465 1.579 40 0 DDABHN COCCN1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585104409 354807477 /nfs/dbraw/zinc/80/74/77/354807477.db2.gz MHUWFMUWQGWUTJ-GOSISDBHSA-N 0 3 318.417 1.384 40 0 DDABHN CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cncnc3)C[C@H]12 ZINC000257279420 203008704 /nfs/dbraw/zinc/00/87/04/203008704.db2.gz OGMUFGCTBOWLRW-OWCLPIDISA-N 0 3 310.405 1.613 40 0 DDABHN O=S(=O)(c1ccc(Br)cc1)N1CCCNCC1 ZINC000019519212 182127319 /nfs/dbraw/zinc/12/73/19/182127319.db2.gz BUWVCVKTEPJIRB-UHFFFAOYSA-N 0 3 319.224 1.433 40 0 DDABHN CCn1cc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cn1 ZINC000019524991 182128159 /nfs/dbraw/zinc/12/81/59/182128159.db2.gz FVTVUGKAVGATMP-UHFFFAOYSA-N 0 3 315.421 1.711 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)CC ZINC000242390273 257120810 /nfs/dbraw/zinc/12/08/10/257120810.db2.gz AHYIIUOXWGVNDO-ARFHVFGLSA-N 0 3 311.447 1.877 40 0 DDABHN Cc1nc(N2CCN(C=O)CC2)ccc1[C@@H](N)c1ccccc1 ZINC000072224735 257123117 /nfs/dbraw/zinc/12/31/17/257123117.db2.gz TZCRMQIDFLJBJH-SFHVURJKSA-N 0 3 310.401 1.717 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)CO ZINC000218415073 257130916 /nfs/dbraw/zinc/13/09/16/257130916.db2.gz ZVOWQZRRRJGKPV-YNEHKIRRSA-N 0 3 303.811 1.178 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1 ZINC000006953132 406745466 /nfs/dbraw/zinc/74/54/66/406745466.db2.gz LVHCVWIYLOEPTR-CYBMUJFWSA-N 0 3 309.797 1.879 40 0 DDABHN CN(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000073743051 406893502 /nfs/dbraw/zinc/89/35/02/406893502.db2.gz MCHLFDSXCBFIFQ-UHFFFAOYSA-N 0 3 304.177 1.610 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)NCc3ccccc3)CC[C@@H]2C1 ZINC000096249574 407255667 /nfs/dbraw/zinc/25/56/67/407255667.db2.gz IUAXKKZEOUAWHT-IAGOWNOFSA-N 0 3 317.433 1.939 40 0 DDABHN CN(C)c1nc2c(cc1C(=O)N1CCCC1)CCN(C)CC2 ZINC000096260395 407257741 /nfs/dbraw/zinc/25/77/41/407257741.db2.gz BXRJBLPPAYABFX-UHFFFAOYSA-N 0 3 302.422 1.414 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C[C@@H]1C=CCC1 ZINC000096041503 407225655 /nfs/dbraw/zinc/22/56/55/407225655.db2.gz FFBZDCHQMHZDDF-KYHPRHEASA-N 0 3 322.449 1.679 40 0 DDABHN CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccco4)C[C@@H]32)CC1 ZINC000096056255 407229972 /nfs/dbraw/zinc/22/99/72/407229972.db2.gz KVWKQFXHBZMXJE-RYQLBKOJSA-N 0 3 319.449 1.364 40 0 DDABHN COc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3CCN(C)C)cc1 ZINC000096054300 407230017 /nfs/dbraw/zinc/23/00/17/407230017.db2.gz MNEKLAOOCUFVTC-MSOLQXFVSA-N 0 3 319.449 1.142 40 0 DDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCCO1 ZINC000096064491 407233319 /nfs/dbraw/zinc/23/33/19/407233319.db2.gz LYNYARBAMYDILR-BPLDGKMQSA-N 0 3 306.362 1.138 40 0 DDABHN Cc1ncsc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1 ZINC000096110022 407238584 /nfs/dbraw/zinc/23/85/84/407238584.db2.gz FLNSVYWRXYKVRL-IUODEOHRSA-N 0 3 309.435 1.425 40 0 DDABHN CN(C)CCN1CCN(C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198837 407247356 /nfs/dbraw/zinc/24/73/56/407247356.db2.gz LONKUNSQFKOFCE-HNNXBMFYSA-N 0 3 304.438 1.302 40 0 DDABHN Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)o1 ZINC000107739479 407379335 /nfs/dbraw/zinc/37/93/35/407379335.db2.gz KTIYUUNGQLRBBI-IRXDYDNUSA-N 0 3 308.422 1.900 40 0 DDABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC000108525784 407386812 /nfs/dbraw/zinc/38/68/12/407386812.db2.gz NTRBKIBRCGHVSL-UHFFFAOYSA-N 0 3 309.435 1.375 40 0 DDABHN Cc1nc2cc(C(=O)N3CC[C@](O)(CN(C)C)C3)ccc2[nH]1 ZINC000257235170 407509817 /nfs/dbraw/zinc/50/98/17/407509817.db2.gz GWTGRZOZDYSRIJ-INIZCTEOSA-N 0 3 302.378 1.010 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccnc2)c1 ZINC000257221254 407502946 /nfs/dbraw/zinc/50/29/46/407502946.db2.gz DODAFLAYTFXLDI-QGZVFWFLSA-N 0 3 310.401 1.588 40 0 DDABHN NC[C@@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218629487 407521122 /nfs/dbraw/zinc/52/11/22/407521122.db2.gz QRJAPCLRNUHVBA-OWCLPIDISA-N 0 3 320.389 1.422 40 0 DDABHN Cc1c[nH]c([C@H]2CN(C(=O)C3(C)CCN(C)CC3)CCO2)n1 ZINC000257262331 407527274 /nfs/dbraw/zinc/52/72/74/407527274.db2.gz LKZAQVBXSUOICJ-CYBMUJFWSA-N 0 3 306.410 1.350 40 0 DDABHN CN(C)CCNc1nc(NCc2cccnc2)cc(C2CC2)n1 ZINC000329059544 410078803 /nfs/dbraw/zinc/07/88/03/410078803.db2.gz WHNNVXJXAFWZCY-UHFFFAOYSA-N 0 3 312.421 1.178 40 0 DDABHN C[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393077 185168952 /nfs/dbraw/zinc/16/89/52/185168952.db2.gz ONDRFOQSYVWXHB-ZFWWWQNUSA-N 0 3 319.405 1.451 40 0 DDABHN CNc1ncccc1CN1CCCC[C@@H]1CCNC(=O)COC ZINC000072344647 191128098 /nfs/dbraw/zinc/12/80/98/191128098.db2.gz CCAKXXNBISXOQA-OAHLLOKOSA-N 0 3 320.437 1.631 40 0 DDABHN CC(=O)N1CCC[C@@H]1c1ccc2c(=O)n(CCN(C)C)cc-2[nH]1 ZINC000072378362 191141160 /nfs/dbraw/zinc/14/11/60/191141160.db2.gz GYAYGOHIHGZERM-MRXNPFEDSA-N 0 3 316.405 1.282 40 0 DDABHN COC(=O)[C@H]1CCCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000092932703 353876338 /nfs/dbraw/zinc/87/63/38/353876338.db2.gz HAWFJOPCIMCWLG-QWHCGFSZSA-N 0 3 312.410 1.881 40 0 DDABHN CN(C)C[C@@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 ZINC000585095380 354804101 /nfs/dbraw/zinc/80/41/01/354804101.db2.gz SZSMJHUMFSHUAO-CQSZACIVSA-N 0 3 300.362 1.347 40 0 DDABHN Cn1ccnc1-c1nccnc1C[C@H]1CCCN(CCO)C1 ZINC000585178932 354817708 /nfs/dbraw/zinc/81/77/08/354817708.db2.gz WOYKLZDZCRKZIX-CYBMUJFWSA-N 0 3 301.394 1.124 40 0 DDABHN Cc1cc(OC[C@@]2(O)CN(C3CCC3)CC[C@@H]2O)ccc1F ZINC000585283003 354823596 /nfs/dbraw/zinc/82/35/96/354823596.db2.gz OFZVVBNWOPVOKS-IRXDYDNUSA-N 0 3 309.381 1.863 40 0 DDABHN O=C1CCCN1C[C@H]1Cn2nccc2CN(C2CCCC2)C1 ZINC000248008320 296320349 /nfs/dbraw/zinc/32/03/49/296320349.db2.gz UVUKUGIFZNLOKG-CQSZACIVSA-N 0 3 302.422 1.880 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(OC)cc1 ZINC000242648389 257120281 /nfs/dbraw/zinc/12/02/81/257120281.db2.gz QWCVETLFDNNJIP-RBSFLKMASA-N 0 3 313.419 1.187 40 0 DDABHN Cc1cc(N2CCNCC2)ncc1CNC(=O)OC(C)(C)C ZINC000072223572 257123228 /nfs/dbraw/zinc/12/32/28/257123228.db2.gz ZXQYULLSPBLORR-UHFFFAOYSA-N 0 3 306.410 1.824 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218073233 257131581 /nfs/dbraw/zinc/13/15/81/257131581.db2.gz QWCVETLFDNNJIP-SOUVJXGZSA-N 0 3 313.419 1.187 40 0 DDABHN NC[C@H]1CCN(Cc2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000222539143 407558929 /nfs/dbraw/zinc/55/89/29/407558929.db2.gz FXTCCBHGBFOGST-LLVKDONJSA-N 0 3 308.325 1.568 40 0 DDABHN COc1ncccc1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 ZINC000096038693 407224852 /nfs/dbraw/zinc/22/48/52/407224852.db2.gz WLCCJFFQSDACPA-RHSMWYFYSA-N 0 3 319.405 1.159 40 0 DDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1 ZINC000096049612 407227135 /nfs/dbraw/zinc/22/71/35/407227135.db2.gz LOYYFOREXYETBX-KRWDZBQOSA-N 0 3 303.406 1.656 40 0 DDABHN CN(C)CCOCc1nnc2n1CCN(Cc1ccoc1)CC2 ZINC000096058864 407230555 /nfs/dbraw/zinc/23/05/55/407230555.db2.gz BOCIRQTYPJNFJH-UHFFFAOYSA-N 0 3 319.409 1.008 40 0 DDABHN COCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]2C1 ZINC000096081408 407234701 /nfs/dbraw/zinc/23/47/01/407234701.db2.gz MPBUYUFXVQIZBE-LSDHHAIUSA-N 0 3 304.390 1.433 40 0 DDABHN COCC[N@H+]1CC[C@H]2CN(C(=O)c3cccc([O-])c3)C[C@H]2C1 ZINC000096081408 407234702 /nfs/dbraw/zinc/23/47/02/407234702.db2.gz MPBUYUFXVQIZBE-LSDHHAIUSA-N 0 3 304.390 1.433 40 0 DDABHN CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096184320 407244123 /nfs/dbraw/zinc/24/41/23/407244123.db2.gz NEKDZFWFYGRYRS-GJZGRUSLSA-N 0 3 307.463 1.527 40 0 DDABHN CN1CCC[C@@H]1c1cncc(C(=O)NCCN2CCCCC2)n1 ZINC000257277487 407529654 /nfs/dbraw/zinc/52/96/54/407529654.db2.gz NYDOIVUQJIVAPM-MRXNPFEDSA-N 0 3 317.437 1.459 40 0 DDABHN O=S1(=O)CC[C@@H](NCCNCc2ccccc2Cl)C1 ZINC000575423214 422298689 /nfs/dbraw/zinc/29/86/89/422298689.db2.gz ZIXFIDGICCTSND-GFCCVEGCSA-N 0 3 302.827 1.206 40 0 DDABHN COCCN1CCC(c2ccnc3c(CN(C)C)cnn32)CC1 ZINC000257269205 518058494 /nfs/dbraw/zinc/05/84/94/518058494.db2.gz MPACKAUTVLZGLG-UHFFFAOYSA-N 0 3 317.437 1.617 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000079409998 185169893 /nfs/dbraw/zinc/16/98/93/185169893.db2.gz PSECXGMJJKCXLM-OLZOCXBDSA-N 0 3 313.442 1.876 40 0 DDABHN CN(C)CCN1Cc2cc3cc4c(cc3nc2OC1=O)OCO4 ZINC000072396355 191149633 /nfs/dbraw/zinc/14/96/33/191149633.db2.gz LDEUUEBZYSPFEF-UHFFFAOYSA-N 0 3 315.329 1.840 40 0 DDABHN COCCN1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104194 354807733 /nfs/dbraw/zinc/80/77/33/354807733.db2.gz KNZFSSUCOYXBTQ-SFHVURJKSA-N 0 3 318.417 1.384 40 0 DDABHN CCOC[C@@H]1CCN(C)C2(CN(Cc3cc(C)nn3C)C2)C1 ZINC000585103096 354807752 /nfs/dbraw/zinc/80/77/52/354807752.db2.gz PVIQMFYLMAZZJI-OAHLLOKOSA-N 0 3 306.454 1.661 40 0 DDABHN CN(C)C/C=C/C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000585289023 354825548 /nfs/dbraw/zinc/82/55/48/354825548.db2.gz CYEDYQZZDWQGNH-LWBCESNNSA-N 0 3 302.418 1.699 40 0 DDABHN Cc1cccc(C[C@H]2CCN(C(=O)/C=C/CN(C)C)C[C@@H]2O)c1 ZINC000585289588 354825602 /nfs/dbraw/zinc/82/56/02/354825602.db2.gz KMJWQYZYBMDSOT-GNLKBHMISA-N 0 3 316.445 1.865 40 0 DDABHN NC1(C(=O)NCc2ccnc([C@@H]3CCCOC3)n2)CCCC1 ZINC000257303226 203026750 /nfs/dbraw/zinc/02/67/50/203026750.db2.gz SGGUWSUIZUOXPV-GFCCVEGCSA-N 0 3 304.394 1.258 40 0 DDABHN COCCN1CCC[C@@H](c2nccnc2-c2cnn(C)c2)C1 ZINC000257281071 203007790 /nfs/dbraw/zinc/00/77/90/203007790.db2.gz ONMCTTUTPLZMBY-CYBMUJFWSA-N 0 3 301.394 1.703 40 0 DDABHN CNC(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccccc2OC)C1 ZINC000257283157 203011115 /nfs/dbraw/zinc/01/11/15/203011115.db2.gz OWXSZIVZKGWCCT-ZDUSSCGKSA-N 0 3 314.389 1.767 40 0 DDABHN O=C([C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@H]2O1)N1CCCC1 ZINC000096042716 296146100 /nfs/dbraw/zinc/14/61/00/296146100.db2.gz WASVOHZWFRSDOT-NUEKZKHPSA-N 0 3 308.422 1.267 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000073742997 406893413 /nfs/dbraw/zinc/89/34/13/406893413.db2.gz MDFOLRUDAWJXSJ-NSHDSACASA-N 0 3 311.332 1.504 40 0 DDABHN CNC(=O)C[C@H]1C[C@H]2CN(CCOCc3ccccc3)C[C@H]2O1 ZINC000096219870 407252011 /nfs/dbraw/zinc/25/20/11/407252011.db2.gz YJIGTSJQOKUNEU-GVDBMIGSSA-N 0 3 318.417 1.429 40 0 DDABHN Cn1cc(CN2C[C@@H]3C(=O)N(c4ccsc4)C[C@@H]3C2)cn1 ZINC000096245223 407254799 /nfs/dbraw/zinc/25/47/99/407254799.db2.gz CBTYFVFAHQMDQR-JSGCOSHPSA-N 0 3 302.403 1.576 40 0 DDABHN COCCn1cc2c(n1)[C@H](CNCc1ccsc1)OCC2 ZINC000096044292 407226506 /nfs/dbraw/zinc/22/65/06/407226506.db2.gz NPKRWAWDAJRGOD-AWEZNQCLSA-N 0 3 307.419 1.995 40 0 DDABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccoc3)C[C@H]2C1 ZINC000096053926 407228855 /nfs/dbraw/zinc/22/88/55/407228855.db2.gz VFUHWXOBTZSLBS-STQMWFEESA-N 0 3 303.387 1.940 40 0 DDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccsc3)C2)O1 ZINC000096063304 407232473 /nfs/dbraw/zinc/23/24/73/407232473.db2.gz PUCMUFFVLAMGML-GOEBONIOSA-N 0 3 324.446 1.700 40 0 DDABHN O=C(c1cnn2cccnc12)N1CC[C@@]2(CCN2CC2CC2)C1 ZINC000096075976 407234989 /nfs/dbraw/zinc/23/49/89/407234989.db2.gz LJRPDHDXUHKXBG-QGZVFWFLSA-N 0 3 311.389 1.430 40 0 DDABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 ZINC000107191795 407370635 /nfs/dbraw/zinc/37/06/35/407370635.db2.gz JOSOOLHZKSVOAV-WMZOPIPTSA-N 0 3 315.417 1.799 40 0 DDABHN COCCN1CC2(CCC1=O)CCN(Cc1cccnc1)CC2 ZINC000108529667 407387186 /nfs/dbraw/zinc/38/71/86/407387186.db2.gz TZASNPVJCSLWDB-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN COc1ccccc1[C@H]1CNCCN1CC1(O)CCOCC1 ZINC000257238193 407509538 /nfs/dbraw/zinc/50/95/38/407509538.db2.gz HJYIWAPMRZQVTE-OAHLLOKOSA-N 0 3 306.406 1.183 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(OC)cc2)[C@@]1(CN)COC ZINC000218085117 407513370 /nfs/dbraw/zinc/51/33/70/407513370.db2.gz KSHXAXZOAQSFCB-SOUVJXGZSA-N 0 3 313.419 1.187 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2CC2CCOCC2)c1 ZINC000257248184 407518747 /nfs/dbraw/zinc/51/87/47/407518747.db2.gz JCNROHYUCIKNGW-KRWDZBQOSA-N 0 3 317.433 1.419 40 0 DDABHN CN(C)CCN=C1Nc2ccccc2C(=O)N2CSC[C@H]12 ZINC000001649448 273796676 /nfs/dbraw/zinc/79/66/76/273796676.db2.gz UKKLPUCNARPLGD-CYBMUJFWSA-N 0 3 304.419 1.397 40 0 DDABHN CCN(CC)[C@@H]1CN(c2ncc(F)cn2)C[C@@H]2CCCO[C@H]12 ZINC000096040586 276115220 /nfs/dbraw/zinc/11/52/20/276115220.db2.gz RGRCHZXORQNLSA-CFVMTHIKSA-N 0 3 308.401 1.941 40 0 DDABHN CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391419 185168009 /nfs/dbraw/zinc/16/80/09/185168009.db2.gz ZAXKZLCOLIOWBP-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN CCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392898 185168601 /nfs/dbraw/zinc/16/86/01/185168601.db2.gz LNLLRHQRKWFQOM-OAHLLOKOSA-N 0 3 319.405 1.452 40 0 DDABHN NCC(=O)NC1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000083318434 185221972 /nfs/dbraw/zinc/22/19/72/185221972.db2.gz VZQIYOXPHSGNBZ-UHFFFAOYSA-N 0 3 305.378 1.299 40 0 DDABHN OCCN[C@@H](Cc1ccccc1)c1ccccc1OCCO ZINC000001666303 180885929 /nfs/dbraw/zinc/88/59/29/180885929.db2.gz XITBODHYUPWWIX-KRWDZBQOSA-N 0 3 301.386 1.923 40 0 DDABHN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004504513 181116864 /nfs/dbraw/zinc/11/68/64/181116864.db2.gz OHGIJASVRJKUBP-NSHDSACASA-N 0 3 305.357 1.318 40 0 DDABHN Cc1ncccc1CN1C[C@H](O)[C@@H](CC(=O)N2CCCC2)C1 ZINC000585276505 354820742 /nfs/dbraw/zinc/82/07/42/354820742.db2.gz PCTVBWMTCYNVKE-HOTGVXAUSA-N 0 3 303.406 1.195 40 0 DDABHN CO[C@@H]1COC[C@@H](CNCc2ccc3ccccc3n2)[C@@H]1O ZINC000585287291 354824015 /nfs/dbraw/zinc/82/40/15/354824015.db2.gz WXXXBSMSLBTHGH-XYPHTWIQSA-N 0 3 302.374 1.347 40 0 DDABHN Cc1c(CN2C[C@H](c3ccccc3)[C@@H](O)[C@H]2CO)cnn1C ZINC000585292173 354826216 /nfs/dbraw/zinc/82/62/16/354826216.db2.gz FOSFUQZNSOWWJU-BRWVUGGUSA-N 0 3 301.390 1.050 40 0 DDABHN NCC(=O)N1CCC2(CO[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257327926 203051938 /nfs/dbraw/zinc/05/19/38/203051938.db2.gz XDJZDSUTMOWXAI-OAHLLOKOSA-N 0 3 306.381 1.725 40 0 DDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218048059 257131884 /nfs/dbraw/zinc/13/18/84/257131884.db2.gz FSMVVSJHQLJGST-ZACQAIPSSA-N 0 3 316.426 1.591 40 0 DDABHN O=C(CCN1CCCC1)N1CCC(C(=O)c2ccccn2)CC1 ZINC000012145714 406837412 /nfs/dbraw/zinc/83/74/12/406837412.db2.gz BNBPLKHAVGCOKN-UHFFFAOYSA-N 0 3 315.417 1.989 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000073742993 406892844 /nfs/dbraw/zinc/89/28/44/406892844.db2.gz MDFOLRUDAWJXSJ-LLVKDONJSA-N 0 3 311.332 1.504 40 0 DDABHN CN1CCN(c2ccc(N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000040177460 407001806 /nfs/dbraw/zinc/00/18/06/407001806.db2.gz LFBXPCNHWOICLV-AWEZNQCLSA-N 0 3 309.435 1.037 40 0 DDABHN Cn1cc(CN2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)cn1 ZINC000096249187 407255797 /nfs/dbraw/zinc/25/57/97/407255797.db2.gz WYBRPFLOSGDTJH-IAGOWNOFSA-N 0 3 314.437 1.108 40 0 DDABHN CCN1C(=O)[C@@H](c2ccccc2)CC12CCN(CCO)CC2 ZINC000096261156 407258506 /nfs/dbraw/zinc/25/85/06/407258506.db2.gz LJBCSUROBZPEIH-MRXNPFEDSA-N 0 3 302.418 1.849 40 0 DDABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccsc3)C2)O1 ZINC000096063307 407232533 /nfs/dbraw/zinc/23/25/33/407232533.db2.gz PUCMUFFVLAMGML-ZBFHGGJFSA-N 0 3 324.446 1.700 40 0 DDABHN COCCN1CCN(CCN2CCCC2)Cc2cccnc21 ZINC000096069187 407233885 /nfs/dbraw/zinc/23/38/85/407233885.db2.gz OKBOUIUIANQATE-UHFFFAOYSA-N 0 3 304.438 1.446 40 0 DDABHN CN(C)CCn1c(=O)ccc2c1CC[C@@H](Nc1ncccn1)C2 ZINC000096067606 407234178 /nfs/dbraw/zinc/23/41/78/407234178.db2.gz PHOKHRBRZGDNLT-CQSZACIVSA-N 0 3 313.405 1.169 40 0 DDABHN CN(C)CC(=O)N1CCC[C@@]2(CCCN2Cc2ccncc2)C1 ZINC000096071491 407234186 /nfs/dbraw/zinc/23/41/86/407234186.db2.gz NUCWVGPTGHLWIH-GOSISDBHSA-N 0 3 316.449 1.600 40 0 DDABHN O=C(c1ccco1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 ZINC000096081441 407235129 /nfs/dbraw/zinc/23/51/29/407235129.db2.gz PYCSINURTPVWFW-ZNMIVQPWSA-N 0 3 304.390 1.853 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@H]2OC ZINC000096110977 407238511 /nfs/dbraw/zinc/23/85/11/407238511.db2.gz ZYZGPGZVVDESIP-RRFJBIMHSA-N 0 3 324.446 1.556 40 0 DDABHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096184319 407244684 /nfs/dbraw/zinc/24/46/84/407244684.db2.gz NEKDZFWFYGRYRS-LSDHHAIUSA-N 0 3 307.463 1.527 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@H](NCc1ccccn1)C2 ZINC000096189668 407247037 /nfs/dbraw/zinc/24/70/37/407247037.db2.gz UMBYYGPOEMPDHM-HNNXBMFYSA-N 0 3 313.401 1.537 40 0 DDABHN CN1CC2(C[C@@H]1COCC1CC1)CCN(S(C)(=O)=O)CC2 ZINC000096216499 407250770 /nfs/dbraw/zinc/25/07/70/407250770.db2.gz UMTUUMHAFGTGJF-CQSZACIVSA-N 0 3 316.467 1.159 40 0 DDABHN O=C(c1cccnc1)N1CCC[C@]2(CCN([C@H]3CCOC3)C2)C1 ZINC000107191791 407370251 /nfs/dbraw/zinc/37/02/51/407370251.db2.gz JOSOOLHZKSVOAV-FUHWJXTLSA-N 0 3 315.417 1.799 40 0 DDABHN CN1C[C@H]2C[C@H](NC(=O)c3[nH]nc4ccccc43)C[C@@H](C1)N2C ZINC000255987491 407478187 /nfs/dbraw/zinc/47/81/87/407478187.db2.gz MHNNVDILNTUWNS-CLLJXQQHSA-N 0 3 313.405 1.070 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3cc[nH]n3)CCO2)n1 ZINC000257224509 407504748 /nfs/dbraw/zinc/50/47/48/407504748.db2.gz FCCQBUQKNMMMBT-OAHLLOKOSA-N 0 3 315.377 1.393 40 0 DDABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC000257224509 407504755 /nfs/dbraw/zinc/50/47/55/407504755.db2.gz FCCQBUQKNMMMBT-OAHLLOKOSA-N 0 3 315.377 1.393 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000257227949 407507386 /nfs/dbraw/zinc/50/73/86/407507386.db2.gz FRRWXEKESNLXTI-AWEZNQCLSA-N 0 3 316.323 1.844 40 0 DDABHN CN(C)CCO[C@@H]1CN(C(=O)c2ccccc2)[C@@H]2CCCO[C@H]12 ZINC000097953778 282109136 /nfs/dbraw/zinc/10/91/36/282109136.db2.gz MOKQFZQGCAXVHI-ZACQAIPSSA-N 0 3 318.417 1.637 40 0 DDABHN NCC(=O)NCC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392826 185168468 /nfs/dbraw/zinc/16/84/68/185168468.db2.gz MDMAPRJPVPMVCD-UHFFFAOYSA-N 0 3 305.378 1.110 40 0 DDABHN Cc1cc(Oc2ccccc2)nc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000072384453 191143759 /nfs/dbraw/zinc/14/37/59/191143759.db2.gz YLSLINSFGSIPIS-CYBMUJFWSA-N 0 3 312.373 1.852 40 0 DDABHN CCC(=O)N1CC[C@H](c2nn(CCN(C)C)c3ncccc23)C1 ZINC000019498495 182126047 /nfs/dbraw/zinc/12/60/47/182126047.db2.gz FKNKYLNGYLOISE-ZDUSSCGKSA-N 0 3 315.421 1.719 40 0 DDABHN CN(C)C(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 ZINC000096043164 256553839 /nfs/dbraw/zinc/55/38/39/256553839.db2.gz XCZKBXXYVNWXFG-BBWFWOEESA-N 0 3 302.418 1.797 40 0 DDABHN CN(C)CCN1C(=O)CCC12CCN(Cc1ccoc1)CC2 ZINC000096228039 407253974 /nfs/dbraw/zinc/25/39/74/407253974.db2.gz CXIWAVXWQIYOLP-UHFFFAOYSA-N 0 3 305.422 1.798 40 0 DDABHN CNC(=O)CN1CCCC12CCN(C(=O)c1ccsc1)CC2 ZINC000096227924 407254243 /nfs/dbraw/zinc/25/42/43/407254243.db2.gz HUNDOIRQCCWKFM-UHFFFAOYSA-N 0 3 321.446 1.565 40 0 DDABHN O=C([C@@H]1C[C@@H]2CCN(CCN3CCCC3)C[C@H]2O1)N1CCCC1 ZINC000096066188 407233167 /nfs/dbraw/zinc/23/31/67/407233167.db2.gz REFUNETUAQRBIS-YESZJQIVSA-N 0 3 321.465 1.184 40 0 DDABHN COCC(=O)NC[C@]12COC[C@H]1CN(Cc1sccc1C)C2 ZINC000096108407 407238081 /nfs/dbraw/zinc/23/80/81/407238081.db2.gz RRCAQYDAVKRPOT-CJNGLKHVSA-N 0 3 324.446 1.268 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nc(C)c1)CC[C@@H]2OC ZINC000096109415 407238129 /nfs/dbraw/zinc/23/81/29/407238129.db2.gz CRGCITTXDQVTEP-BBWFWOEESA-N 0 3 317.433 1.880 40 0 DDABHN Cc1cccc(CN2C[C@@H]3CN(C(=O)c4cccnc4)C[C@@H]3C2)n1 ZINC000096182254 407243715 /nfs/dbraw/zinc/24/37/15/407243715.db2.gz RXXIZYDDKRRZDO-CALCHBBNSA-N 0 3 322.412 1.989 40 0 DDABHN Cn1cccc1C(=O)N[C@@H]1CN(CC2CC2)[C@@H]2CCCO[C@H]12 ZINC000096185915 407245595 /nfs/dbraw/zinc/24/55/95/407245595.db2.gz KDJHDGGTQDIRRG-IIAWOOMASA-N 0 3 303.406 1.397 40 0 DDABHN c1cncc(O[C@H]2CN(CCN3CCCC3)[C@@H]3CCCO[C@@H]32)c1 ZINC000096187110 407245879 /nfs/dbraw/zinc/24/58/79/407245879.db2.gz QISGLXQTCYYGTF-SQNIBIBYSA-N 0 3 317.433 1.788 40 0 DDABHN O[C@@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200101 407247758 /nfs/dbraw/zinc/24/77/58/407247758.db2.gz JJTPRODAQSSKMX-JKSUJKDBSA-N 0 3 312.369 1.988 40 0 DDABHN Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@@H+]3C)[n-]c(=O)n1 ZINC000257216055 407501191 /nfs/dbraw/zinc/50/11/91/407501191.db2.gz CSXRFJACXIPFRS-DPYKFYPSSA-N 0 3 316.405 1.578 40 0 DDABHN Cc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)[N@H+]3C)[n-]c(=O)n1 ZINC000257216055 407501198 /nfs/dbraw/zinc/50/11/98/407501198.db2.gz CSXRFJACXIPFRS-DPYKFYPSSA-N 0 3 316.405 1.578 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)CO ZINC000218415163 407517886 /nfs/dbraw/zinc/51/78/86/407517886.db2.gz ZVOWQZRRRJGKPV-RWMBFGLXSA-N 0 3 303.811 1.178 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218516054 407518296 /nfs/dbraw/zinc/51/82/96/407518296.db2.gz GOFMPXOHXQZUAS-HZSPNIEDSA-N 0 3 301.383 1.318 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)Cc2ccc3c(c2)CCC3)C1 ZINC000257265688 407525209 /nfs/dbraw/zinc/52/52/09/407525209.db2.gz LZWCDABZQQOTHU-SFHVURJKSA-N 0 3 302.418 1.243 40 0 DDABHN O=C(C1CCC(F)(F)CC1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257266873 407526250 /nfs/dbraw/zinc/52/62/50/407526250.db2.gz MEXUWOQEZDYYOZ-CHWSQXEVSA-N 0 3 302.365 1.479 40 0 DDABHN CC(C)N1C[C@H]2OC[C@H](CNS(=O)(=O)c3ccccc3)[C@H]2C1 ZINC000247996327 408524017 /nfs/dbraw/zinc/52/40/17/408524017.db2.gz MQKDBIGKKVPOPS-NUEKZKHPSA-N 0 3 324.446 1.320 40 0 DDABHN CN(C)CCOC[C@@]12CCCO[C@H]1CCN(c1ncccn1)C2 ZINC000096039516 276792274 /nfs/dbraw/zinc/79/22/74/276792274.db2.gz LHSWCDZUSWIOBT-RDJZCZTQSA-N 0 3 320.437 1.430 40 0 DDABHN Cc1cc(C(=O)N2CCC[C@@H]3[C@H]2CCCCN3C)nc(N)n1 ZINC000257281820 280326748 /nfs/dbraw/zinc/32/67/48/280326748.db2.gz ORDKZNAFDFYNHN-ZIAGYGMSSA-N 0 3 303.410 1.456 40 0 DDABHN Cc1ccc([C@@H](N)c2nnc(CCN3CCOCC3)[nH]2)cc1 ZINC000095534127 185379092 /nfs/dbraw/zinc/37/90/92/185379092.db2.gz ORKIQEZXHYGALF-OAHLLOKOSA-N 0 3 301.394 1.036 40 0 DDABHN Cc1ccc([C@@H](N)c2n[nH]c(CCN3CCOCC3)n2)cc1 ZINC000095534127 185379093 /nfs/dbraw/zinc/37/90/93/185379093.db2.gz ORKIQEZXHYGALF-OAHLLOKOSA-N 0 3 301.394 1.036 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](NC(=O)OCc2ccccc2)C1 ZINC000079413138 185170179 /nfs/dbraw/zinc/17/01/79/185170179.db2.gz GWTVYWBLQDSLGZ-CABCVRRESA-N 0 3 319.405 1.497 40 0 DDABHN Cn1cc(CN2C[C@@H]3Cn4c(-c5cccnc5)cnc4[C@H]3C2)cn1 ZINC000306129627 231086323 /nfs/dbraw/zinc/08/63/23/231086323.db2.gz IIOCTURXICWQCJ-CVEARBPZSA-N 0 3 320.400 1.908 40 0 DDABHN CN1CCC(c2ccc(N[C@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000072365190 191133788 /nfs/dbraw/zinc/13/37/88/191133788.db2.gz IHZGCEYYNMIUGL-AWEZNQCLSA-N 0 3 309.435 1.490 40 0 DDABHN COc1ccc(-c2nsc(N3CCNCC3)n2)cc1OC ZINC000216642694 354313038 /nfs/dbraw/zinc/31/30/38/354313038.db2.gz WOCUOQJLXGJMEH-UHFFFAOYSA-N 0 3 306.391 1.632 40 0 DDABHN Cc1ncsc1CN1C[C@H](c2ccc(F)cc2)[C@@H](O)[C@H]1CO ZINC000585295324 354826255 /nfs/dbraw/zinc/82/62/55/354826255.db2.gz UZOZRYGAQFPZKE-IIAWOOMASA-N 0 3 322.405 1.912 40 0 DDABHN CO[C@H]1CN(Cc2ccc(OCCO)cc2)CC[C@@]12CCCO2 ZINC000257277388 203005826 /nfs/dbraw/zinc/00/58/26/203005826.db2.gz NXUCMXUKWSAICE-ROUUACIJSA-N 0 3 321.417 1.828 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)C1(CN)CN ZINC000218373599 257130769 /nfs/dbraw/zinc/13/07/69/257130769.db2.gz YLZCHGYBXIGPRL-VXGBXAGGSA-N 0 3 302.827 1.144 40 0 DDABHN CCOC(=O)[C@]1(CN)C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000217998802 257131403 /nfs/dbraw/zinc/13/14/03/257131403.db2.gz JVPMPPWJNOMAAA-AAEUAGOBSA-N 0 3 317.794 1.394 40 0 DDABHN NC[C@]1(CO)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036182 257131565 /nfs/dbraw/zinc/13/15/65/257131565.db2.gz IFEBLMVDUZKFJD-ULQDDVLXSA-N 0 3 317.410 1.564 40 0 DDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2cccs2)[C@H]1O ZINC000514288405 257216603 /nfs/dbraw/zinc/21/66/03/257216603.db2.gz CVDXFEKLJBPNNK-SGMGOOAPSA-N 0 3 312.435 1.338 40 0 biogenic,in-vitro DDABHN NS(=O)(=O)c1ccc(NC(=O)CNC2CCCCC2)cc1 ZINC000000081384 257230851 /nfs/dbraw/zinc/23/08/51/257230851.db2.gz UYTZSRMIXIQRKY-UHFFFAOYSA-N 0 3 311.407 1.195 40 0 DDABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@H]1CCCO1)OCCO3 ZINC000013999159 406870042 /nfs/dbraw/zinc/87/00/42/406870042.db2.gz VESAJBHRNKTUJY-CYBMUJFWSA-N 0 3 316.357 1.568 40 0 DDABHN CC(C)N(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079391114 407054719 /nfs/dbraw/zinc/05/47/19/407054719.db2.gz MSLXBJIHXNQASN-ZDUSSCGKSA-N 0 3 313.442 1.972 40 0 DDABHN CN1CCC(c2nc3ccc(N4CCOCC4)cn3n2)CC1 ZINC000096267297 407258463 /nfs/dbraw/zinc/25/84/63/407258463.db2.gz MSYVBBMRMZSBEI-UHFFFAOYSA-N 0 3 301.394 1.375 40 0 DDABHN O=C([C@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1)N1CCCC1 ZINC000096043196 407226343 /nfs/dbraw/zinc/22/63/43/407226343.db2.gz WASVOHZWFRSDOT-IMJJTQAJSA-N 0 3 308.422 1.267 40 0 DDABHN c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 ZINC000096072941 407235064 /nfs/dbraw/zinc/23/50/64/407235064.db2.gz VSMNBXKPHKSAHQ-RDJZCZTQSA-N 0 3 311.389 1.717 40 0 DDABHN O=C(NC[C@H]1OC[C@@H](NC2CCC2)[C@@H]1O)Nc1ccccc1 ZINC000096111602 407238945 /nfs/dbraw/zinc/23/89/45/407238945.db2.gz QXRKWIURBHZRAS-KFWWJZLASA-N 0 3 305.378 1.079 40 0 biogenic,in-vitro DDABHN CN(C)C(=O)c1nc2c(s1)CCN(C[C@H]1CCOC1)CC2 ZINC000096187580 407245276 /nfs/dbraw/zinc/24/52/76/407245276.db2.gz ILYXVQCZOWVXAF-LLVKDONJSA-N 0 3 309.435 1.282 40 0 DDABHN CNc1ccc(C[C@@H]2CCCN(c3cc(C)nc(N)n3)C2)nn1 ZINC000257255618 407521063 /nfs/dbraw/zinc/52/10/63/407521063.db2.gz KIFJHDZOCAECCB-LBPRGKRZSA-N 0 3 313.409 1.658 40 0 DDABHN Cc1cccc(C(=O)N2CCO[C@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257333965 407532600 /nfs/dbraw/zinc/53/26/00/407532600.db2.gz YDXRDMVMECSPFX-INIZCTEOSA-N 0 3 312.373 1.889 40 0 DDABHN CN(C)CCNc1nc(NCc2ccco2)cc(C2CC2)n1 ZINC000328984476 410036816 /nfs/dbraw/zinc/03/68/16/410036816.db2.gz HMVDHJYOAZWQBZ-UHFFFAOYSA-N 0 3 301.394 1.376 40 0 DDABHN CCCNC(=O)c1[nH]nc2c1COC[C@@]21CCN(C(C)C)C1 ZINC000306136032 276265772 /nfs/dbraw/zinc/26/57/72/276265772.db2.gz PHAGOJZPFLDBRY-INIZCTEOSA-N 0 3 306.410 1.432 40 0 DDABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)Cc3c[nH]cn3)ccc12 ZINC000098092034 484021481 /nfs/dbraw/zinc/02/14/81/484021481.db2.gz YSUYDFDITKBMJW-CYBMUJFWSA-N 0 3 312.329 1.333 40 0 DDABHN Cc1cc(=O)oc2cc(NC(=O)[C@H](N)Cc3cnc[nH]3)ccc12 ZINC000098092034 484021492 /nfs/dbraw/zinc/02/14/92/484021492.db2.gz YSUYDFDITKBMJW-CYBMUJFWSA-N 0 3 312.329 1.333 40 0 DDABHN COc1cc(OCC(=N)NO)cc(Br)c1OC ZINC000409443063 490781918 /nfs/dbraw/zinc/78/19/18/490781918.db2.gz GHWBCHGJWMMBDS-UHFFFAOYSA-N 0 3 305.128 1.801 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000079410001 185170053 /nfs/dbraw/zinc/17/00/53/185170053.db2.gz PSECXGMJJKCXLM-STQMWFEESA-N 0 3 313.442 1.876 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079412659 185170420 /nfs/dbraw/zinc/17/04/20/185170420.db2.gz FPBNNERSUMQJAK-JSGCOSHPSA-N 0 3 305.378 1.251 40 0 DDABHN CN1CCC(c2cccc(C(=O)N3CCC[C@H](O)C3)n2)CC1 ZINC000072355759 191130167 /nfs/dbraw/zinc/13/01/67/191130167.db2.gz BDSHDIFBIFAGEE-AWEZNQCLSA-N 0 3 303.406 1.488 40 0 DDABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCN(CCO)C2)n1 ZINC000072360134 191130868 /nfs/dbraw/zinc/13/08/68/191130868.db2.gz MCUTUVLPTJCDIC-ZDUSSCGKSA-N 0 3 314.393 1.490 40 0 DDABHN O=C(NCc1ccc(F)cc1)c1cncc([C@H]2CCCN2)n1 ZINC000072365642 191134644 /nfs/dbraw/zinc/13/46/44/191134644.db2.gz VKMDGNDODICBFC-CYBMUJFWSA-N 0 3 300.337 1.970 40 0 DDABHN COCC(=O)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000257297063 203021089 /nfs/dbraw/zinc/02/10/89/203021089.db2.gz RFQASOOYULZIAQ-IRXDYDNUSA-N 0 3 318.417 1.043 40 0 DDABHN Cc1ncc(CN2CC[C@@H](c3nc(CN(C)C)c[nH]3)C2)cn1 ZINC000257306112 203029807 /nfs/dbraw/zinc/02/98/07/203029807.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 0 3 300.410 1.559 40 0 DDABHN Cc1ncc(CN2CC[C@@H](c3ncc(CN(C)C)[nH]3)C2)cn1 ZINC000257306112 203029811 /nfs/dbraw/zinc/02/98/11/203029811.db2.gz SSYNGEVSXROKIT-CQSZACIVSA-N 0 3 300.410 1.559 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ccncc2)c1 ZINC000257304293 203030113 /nfs/dbraw/zinc/03/01/13/203030113.db2.gz SKXIWPLHGRDSRG-QGZVFWFLSA-N 0 3 310.401 1.588 40 0 DDABHN NCC(=O)N1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257285740 203012023 /nfs/dbraw/zinc/01/20/23/203012023.db2.gz PIPDZBREEDGKQN-OAHLLOKOSA-N 0 3 306.381 1.725 40 0 DDABHN O=C(c1ccncc1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 ZINC000019404839 182121924 /nfs/dbraw/zinc/12/19/24/182121924.db2.gz OBIWSADTRFPOEK-CQSZACIVSA-N 0 3 323.400 1.537 40 0 DDABHN CCCC(=O)N1CCc2nc([C@@H]3CCCN(C)C3)ncc2C1 ZINC000019501624 182125662 /nfs/dbraw/zinc/12/56/62/182125662.db2.gz WIDQTXVFDNELSR-CYBMUJFWSA-N 0 3 302.422 1.971 40 0 DDABHN CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019501313 182125966 /nfs/dbraw/zinc/12/59/66/182125966.db2.gz PQFWDOYHRKPOLV-LBPRGKRZSA-N 0 3 318.421 1.676 40 0 DDABHN CCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019501313 182125970 /nfs/dbraw/zinc/12/59/70/182125970.db2.gz PQFWDOYHRKPOLV-LBPRGKRZSA-N 0 3 318.421 1.676 40 0 DDABHN CCOC(=O)[C@H](C)CN1CCN(C[C@H](C)C(=O)OCC)CC1 ZINC000022932100 182342560 /nfs/dbraw/zinc/34/25/60/182342560.db2.gz RWWDHEQJEDLGRP-OKILXGFUSA-N 0 3 314.426 1.002 40 0 DDABHN CNC(=O)[C@H]1C[C@H]2OCC[C@H]2N(CCOCc2ccccc2)C1 ZINC000096041241 256554342 /nfs/dbraw/zinc/55/43/42/256554342.db2.gz YUROVCDQHZIXIQ-GVDBMIGSSA-N 0 3 318.417 1.429 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218447680 257130792 /nfs/dbraw/zinc/13/07/92/257130792.db2.gz HSKRTJBWZWQIEF-HZSPNIEDSA-N 0 3 317.838 1.832 40 0 DDABHN NCC1(CN)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218035604 257131221 /nfs/dbraw/zinc/13/12/21/257131221.db2.gz BFJXUQYNYILNKN-CVEARBPZSA-N 0 3 316.426 1.530 40 0 DDABHN COc1cc(N2CC[C@@H](CN)S2(=O)=O)c(OC)cc1Cl ZINC000222546065 407558671 /nfs/dbraw/zinc/55/86/71/407558671.db2.gz GUNOIZCIMMCYCV-QMMMGPOBSA-N 0 3 320.798 1.224 40 0 DDABHN C[C@@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O ZINC000012146845 406837719 /nfs/dbraw/zinc/83/77/19/406837719.db2.gz HDWPFWHTOXHISQ-MLGOLLRUSA-N 0 3 324.446 1.526 40 0 DDABHN CC(=O)N(C)Cc1cncc([C@@H]2CCCN2C2CCOCC2)n1 ZINC000072387963 406881875 /nfs/dbraw/zinc/88/18/75/406881875.db2.gz DSHBEICZFZCKQH-KRWDZBQOSA-N 0 3 318.421 1.771 40 0 DDABHN c1csc(CN2C[C@@H]3[C@H](C2)OCCN3CCN2CCCC2)c1 ZINC000096248717 407255583 /nfs/dbraw/zinc/25/55/83/407255583.db2.gz DHYPVMJFCIHRDK-SJORKVTESA-N 0 3 321.490 1.729 40 0 DDABHN CCOCCN1C[C@@H](Nc2ccc(C)nn2)[C@H]2OCCC[C@H]2C1 ZINC000096040708 407225319 /nfs/dbraw/zinc/22/53/19/407225319.db2.gz FDUPWAPBICRKNY-UXLLHSPISA-N 0 3 320.437 1.713 40 0 DDABHN CC(C)N1CCOC[C@]2(CN(Cc3cccnc3)CCO2)C1 ZINC000096049735 407228270 /nfs/dbraw/zinc/22/82/70/407228270.db2.gz YUYRUXNAYWQMHP-KRWDZBQOSA-N 0 3 305.422 1.393 40 0 DDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3cccnc3)C2)O1 ZINC000096052293 407228644 /nfs/dbraw/zinc/22/86/44/407228644.db2.gz OWGGTNZSCUXPGU-DLBZAZTESA-N 0 3 305.422 1.393 40 0 DDABHN O=C(C1CCOCC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053843 407229443 /nfs/dbraw/zinc/22/94/43/407229443.db2.gz PXHDCEUJBTWEBH-IYBDPMFKSA-N 0 3 315.417 1.398 40 0 DDABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053941 407230057 /nfs/dbraw/zinc/23/00/57/407230057.db2.gz LXZGKSGNLGWZAP-STQMWFEESA-N 0 3 314.414 1.742 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)NC1CC1 ZINC000096057276 407230516 /nfs/dbraw/zinc/23/05/16/407230516.db2.gz BOQHZMFBTYSVJR-IOASZLSFSA-N 0 3 304.390 1.643 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1ccccc1)CC[C@H]2OC ZINC000096108521 407237401 /nfs/dbraw/zinc/23/74/01/407237401.db2.gz XOYWVNVPSKPZDI-ARFHVFGLSA-N 0 3 324.446 1.416 40 0 DDABHN COCC(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158387 407241844 /nfs/dbraw/zinc/24/18/44/407241844.db2.gz FSHQKMJARXTWOW-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN Cn1cc(CNC(=O)N2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 ZINC000096450956 407268175 /nfs/dbraw/zinc/26/81/75/407268175.db2.gz UFIVOAFNBCQCEZ-NUEKZKHPSA-N 0 3 317.437 1.436 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)COc2ccccc2Cl)C1 ZINC000257331323 407534081 /nfs/dbraw/zinc/53/40/81/407534081.db2.gz XSJJBNQAUSKRFE-OAHLLOKOSA-N 0 3 312.797 1.244 40 0 DDABHN C[C@@H]1C[C@@H](NC(=O)[C@@](C)(O)CCc2ccccc2)CCN1C ZINC000330389264 410662415 /nfs/dbraw/zinc/66/24/15/410662415.db2.gz DXIMROQBLROYKM-HFTRVMKXSA-N 0 3 304.434 1.969 40 0 DDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccnnc1)C2 ZINC000257253097 290317849 /nfs/dbraw/zinc/31/78/49/290317849.db2.gz JXNRZMXMOIAZNH-MPTYRVRUSA-N 0 3 300.406 1.954 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079412774 185170367 /nfs/dbraw/zinc/17/03/67/185170367.db2.gz IHYFHZVQFKSFPY-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN CNCC(=O)N1CCC[C@H]1c1ccnc(Nc2ccccn2)n1 ZINC000072383011 191142852 /nfs/dbraw/zinc/14/28/52/191142852.db2.gz AJAWRUGORISEGT-ZDUSSCGKSA-N 0 3 312.377 1.498 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cncs2)c1 ZINC000257295065 203020333 /nfs/dbraw/zinc/02/03/33/203020333.db2.gz QWVYQBSSEHRPQM-OAHLLOKOSA-N 0 3 316.430 1.649 40 0 DDABHN Fc1ccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)cc1F ZINC000257293524 203019781 /nfs/dbraw/zinc/01/97/81/203019781.db2.gz QPWKHGWCPNYBJG-OAHLLOKOSA-N 0 3 309.316 1.970 40 0 DDABHN CNc1ncccc1CN1CCC[C@@H](Cc2nccnc2N)C1 ZINC000257337325 203059947 /nfs/dbraw/zinc/05/99/47/203059947.db2.gz YSIYUPHXYBCVHQ-ZDUSSCGKSA-N 0 3 312.421 1.950 40 0 DDABHN Cc1nc([C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)cc(=O)[nH]1 ZINC000019285283 182111947 /nfs/dbraw/zinc/11/19/47/182111947.db2.gz FZURHNPRKAQADR-CQSZACIVSA-N 0 3 313.405 1.981 40 0 DDABHN CN1CCN(CCCNC(=O)CCCOc2ccccc2)CC1 ZINC000022829973 182336185 /nfs/dbraw/zinc/33/61/85/182336185.db2.gz QHPYATLQAFXUMZ-UHFFFAOYSA-N 0 3 319.449 1.599 40 0 DDABHN Cc1ccc(N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)nn1 ZINC000096223876 292131776 /nfs/dbraw/zinc/13/17/76/292131776.db2.gz QKMNYZFUNQBLIN-QGZVFWFLSA-N 0 3 317.437 1.166 40 0 DDABHN NC[C@H]1CCN(Cc2ccc(Cl)c(Cl)c2)S1(=O)=O ZINC000222537958 407559063 /nfs/dbraw/zinc/55/90/63/407559063.db2.gz UCJZWSKRRXMJOJ-SECBINFHSA-N 0 3 309.218 1.856 40 0 DDABHN c1c(N2CCCC2)nc(N2CCCC2)nc1N1CCNCC1 ZINC000002512488 406690418 /nfs/dbraw/zinc/69/04/18/406690418.db2.gz XTPTVAPEXHUUDR-UHFFFAOYSA-N 0 3 302.426 1.087 40 0 DDABHN COc1ccc(/C=C/C(=O)NC2CCN(C)CC2)cc1OC ZINC000078472887 407029896 /nfs/dbraw/zinc/02/98/96/407029896.db2.gz JUDNYDZXGKRFRZ-FNORWQNLSA-N 0 3 304.390 1.927 40 0 DDABHN CN(C)C(=O)CN1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC000096224584 407252648 /nfs/dbraw/zinc/25/26/48/407252648.db2.gz KZEYENFRGHVXKB-INIZCTEOSA-N 0 3 321.446 1.655 40 0 DDABHN Cc1ccoc1C(=O)N1CCO[C@H]2[C@H](OCCN(C)C)CC[C@@H]21 ZINC000096041490 407225600 /nfs/dbraw/zinc/22/56/00/407225600.db2.gz IQLYBEUIWRCIQF-SQWLQELKSA-N 0 3 322.405 1.538 40 0 DDABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1cccnc1)C2 ZINC000096048709 407227533 /nfs/dbraw/zinc/22/75/33/407227533.db2.gz DXJJHPOJHWYKQG-GOSISDBHSA-N 0 3 323.400 1.891 40 0 DDABHN O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 ZINC000096066278 407234137 /nfs/dbraw/zinc/23/41/37/407234137.db2.gz BMCNZIDNCQBLTO-UAGQMJEPSA-N 0 3 322.449 1.561 40 0 DDABHN Fc1cnc(N2CCC[C@@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 ZINC000096158346 407241820 /nfs/dbraw/zinc/24/18/20/407241820.db2.gz HPCIPRYVNUJZCO-ZBFHGGJFSA-N 0 3 306.385 1.697 40 0 DDABHN O=C1CCCN1CC[C@H]1CCOC12CN(CC1CCOCC1)C2 ZINC000253616760 407465436 /nfs/dbraw/zinc/46/54/36/407465436.db2.gz RBEIIYIGPKAKDT-INIZCTEOSA-N 0 3 322.449 1.516 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C[C@H]1O ZINC000257216880 407499077 /nfs/dbraw/zinc/49/90/77/407499077.db2.gz CWLYDNKNCOGKGQ-VXGBXAGGSA-N 0 3 302.296 1.452 40 0 DDABHN Cc1nccc(C(=O)N2CC[C@H](c3ncc(CN(C)C)[nH]3)C2)n1 ZINC000257224935 407503543 /nfs/dbraw/zinc/50/35/43/407503543.db2.gz FEAKPSJIUGLCBQ-LBPRGKRZSA-N 0 3 314.393 1.199 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cc(C)on2)c1 ZINC000257232424 407506507 /nfs/dbraw/zinc/50/65/07/407506507.db2.gz GKUCTGCYPJRVIB-INIZCTEOSA-N 0 3 314.389 1.489 40 0 DDABHN NCC(=O)N1[C@H](c2ccccc2F)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257246960 407518767 /nfs/dbraw/zinc/51/87/67/407518767.db2.gz IWSWUNIOZGUTHU-ILXRZTDVSA-N 0 3 319.380 1.485 40 0 DDABHN CC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@H]2C(=O)N(C)C ZINC000306145254 409773251 /nfs/dbraw/zinc/77/32/51/409773251.db2.gz YSPAJHIZZKSCIB-INIZCTEOSA-N 0 3 315.417 1.055 40 0 DDABHN CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079409795 279299499 /nfs/dbraw/zinc/29/94/99/279299499.db2.gz BDKHDZHDJILSFJ-STQMWFEESA-N 0 3 313.442 1.970 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H](N(C)C(=O)OCc2ccccc2)C1 ZINC000079412768 185170549 /nfs/dbraw/zinc/17/05/49/185170549.db2.gz IHYFHZVQFKSFPY-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN Cn1cc(CN2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)cn1 ZINC000306128946 231086389 /nfs/dbraw/zinc/08/63/89/231086389.db2.gz HOZAMRQCIZVJAQ-HZPDHXFCSA-N 0 3 320.400 1.908 40 0 DDABHN CN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392864 185168300 /nfs/dbraw/zinc/16/83/00/185168300.db2.gz NGKJFHJMXVQKKA-OAHLLOKOSA-N 0 3 319.405 1.452 40 0 DDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393079 185168813 /nfs/dbraw/zinc/16/88/13/185168813.db2.gz ONDRFOQSYVWXHB-DZGCQCFKSA-N 0 3 319.405 1.451 40 0 DDABHN C[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004504520 181116882 /nfs/dbraw/zinc/11/68/82/181116882.db2.gz PYGIFSAOEFRANF-LLVKDONJSA-N 0 3 305.357 1.318 40 0 DDABHN Cc1cc(CN2Cc3ccnn3CC[C@@H]2CN(C)C)n(C)n1 ZINC000585097472 354805480 /nfs/dbraw/zinc/80/54/80/354805480.db2.gz MBNLZPFFONGQNI-CQSZACIVSA-N 0 3 302.426 1.261 40 0 DDABHN CNC(=O)CC[C@]1(OC)CCCN(Cc2ccncc2C)C1 ZINC000585277313 354821727 /nfs/dbraw/zinc/82/17/27/354821727.db2.gz UIPSLEAFRNANMD-QGZVFWFLSA-N 0 3 305.422 1.897 40 0 DDABHN Cc1ccc(OC[C@@]2(O)CN(C3CCOCC3)CC[C@@H]2O)cc1 ZINC000585283522 354823020 /nfs/dbraw/zinc/82/30/20/354823020.db2.gz RNICRFXZLGYSMP-ROUUACIJSA-N 0 3 321.417 1.351 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccncc2)c1 ZINC000257304292 203029264 /nfs/dbraw/zinc/02/92/64/203029264.db2.gz SKXIWPLHGRDSRG-KRWDZBQOSA-N 0 3 310.401 1.588 40 0 DDABHN NC(=O)CCN1C[C@@H](c2ccccc2F)[C@]2(C1)CCCC(=O)N2 ZINC000257326650 203051768 /nfs/dbraw/zinc/05/17/68/203051768.db2.gz WYBMLLDEUVZUHE-SUMWQHHRSA-N 0 3 319.380 1.139 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(C)(=O)=O ZINC000242575128 257120050 /nfs/dbraw/zinc/12/00/50/257120050.db2.gz NSWHTGUSYRGYPH-ARFHVFGLSA-N 0 3 311.447 1.741 40 0 DDABHN Cn1cnc2c1[C@@H](COCC1CC1)CN(CCN1CCCC1)C2 ZINC000096044939 407226594 /nfs/dbraw/zinc/22/65/94/407226594.db2.gz NIHGXXZNRPHYFS-MRXNPFEDSA-N 0 3 318.465 1.842 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1 ZINC000096076245 407234883 /nfs/dbraw/zinc/23/48/83/407234883.db2.gz LSXISEZYYZNQQS-QGZVFWFLSA-N 0 3 320.437 1.383 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cncn3C)C2)C1 ZINC000096076248 407235087 /nfs/dbraw/zinc/23/50/87/407235087.db2.gz OOJHICJVDOSAHH-KRWDZBQOSA-N 0 3 320.437 1.383 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)N(C)C)C2)s1 ZINC000096108294 407237448 /nfs/dbraw/zinc/23/74/48/407237448.db2.gz USAXNHOEUZFPHU-CJNGLKHVSA-N 0 3 323.462 1.776 40 0 DDABHN O=C(Cc1ccccn1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161596 407242161 /nfs/dbraw/zinc/24/21/61/407242161.db2.gz DXWZCEJUADPXKP-IYBDPMFKSA-N 0 3 322.412 1.610 40 0 DDABHN Cc1ccoc1C(=O)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096207089 407249514 /nfs/dbraw/zinc/24/95/14/407249514.db2.gz QYVUCLLZXZENKH-LSDHHAIUSA-N 0 3 304.390 1.771 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3ccncc3)CC2)C1=O ZINC000108526342 407387004 /nfs/dbraw/zinc/38/70/04/407387004.db2.gz WEQSTJDDPWETNU-GOSISDBHSA-N 0 3 317.433 1.933 40 0 DDABHN CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)CN)[C@@H]3C[C@H]21 ZINC000257244606 407514045 /nfs/dbraw/zinc/51/40/45/407514045.db2.gz IMBQTRIQBGDOSU-SMKXDYDZSA-N 0 3 316.401 1.863 40 0 DDABHN CN(C)C[C@H]1CN(C(=O)c2cc(C3CC3)on2)Cc2cncn21 ZINC000248149014 408539257 /nfs/dbraw/zinc/53/92/57/408539257.db2.gz WTYKVWBKKXMSBP-ZDUSSCGKSA-N 0 3 315.377 1.507 40 0 DDABHN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)N(C1CCOCC1)C2 ZINC000096111916 290320390 /nfs/dbraw/zinc/32/03/90/290320390.db2.gz TURFQZRDLRWULT-ZFWWWQNUSA-N 0 3 302.374 1.664 40 0 biogenic,in-vitro DDABHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C ZINC000000000895 560126784 /nfs/dbraw/zinc/12/67/84/560126784.db2.gz ZPUCINDJVBIVPJ-XGUBFFRZSA-N 0 3 303.358 1.868 40 0 biogenic,in-vivo DDABHN CN1C[C@@H]2CN(C(=O)Cc3ccccc3)CCN2C(C)(C)C1 ZINC000253395718 186304674 /nfs/dbraw/zinc/30/46/74/186304674.db2.gz CGXMQVNJDVDTNN-MRXNPFEDSA-N 0 3 301.434 1.466 40 0 biogenic,in-vitro DDABHN CNC(=O)C[C@H]1CN(CCCOc2ccccc2F)C[C@@H]1OC ZINC000585278180 354821498 /nfs/dbraw/zinc/82/14/98/354821498.db2.gz MMJNUDBKHUUEFU-BBRMVZONSA-N 0 3 324.396 1.678 40 0 DDABHN CN1C[C@@H]2COCCN2C2(CN(C3CCC(F)(F)CC3)C2)C1 ZINC000604381660 359744789 /nfs/dbraw/zinc/74/47/89/359744789.db2.gz JTKHOBRHDFXFNC-CQSZACIVSA-N 0 3 315.408 1.265 40 0 biogenic,in-vitro DDABHN COCCN1CCC[C@H](c2cncc(N3CCOC3=O)n2)C1 ZINC000257306001 203030323 /nfs/dbraw/zinc/03/03/23/203030323.db2.gz SSMJPHYDWGJJMC-LBPRGKRZSA-N 0 3 306.366 1.259 40 0 DDABHN O=S(=O)(N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1 ZINC000257308270 203031146 /nfs/dbraw/zinc/03/11/46/203031146.db2.gz TWCWBRVUMRZVDD-BZUAXINKSA-N 0 3 324.446 1.343 40 0 DDABHN CC(=O)N1CC2(C[C@]1(C)CO)CCN(Cc1ccncc1)CC2 ZINC000257286915 203013838 /nfs/dbraw/zinc/01/38/38/203013838.db2.gz PNQDNGBZUWRSPG-QGZVFWFLSA-N 0 3 317.433 1.667 40 0 DDABHN O=C(c1ccc2c(c1)CCC2)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257334012 203055660 /nfs/dbraw/zinc/05/56/60/203055660.db2.gz YEDJFFKAZJWGOL-IAGOWNOFSA-N 0 3 300.402 1.456 40 0 DDABHN CN(C(=O)c1csc(-c2cnccn2)n1)C1CCN(C)CC1 ZINC000044123752 183395901 /nfs/dbraw/zinc/39/59/01/183395901.db2.gz AVHZIAVJKNBWPC-UHFFFAOYSA-N 0 3 317.418 1.766 40 0 DDABHN O=S(=O)(c1cnccc1N1CCNCC1)N1CCCCCC1 ZINC000072210651 257127815 /nfs/dbraw/zinc/12/78/15/257127815.db2.gz WAMVXDFCSZDUHV-UHFFFAOYSA-N 0 3 324.450 1.056 40 0 DDABHN CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000001570241 406670955 /nfs/dbraw/zinc/67/09/55/406670955.db2.gz FVNPLMZSNACTDL-HIFRSBDPSA-N 0 3 316.405 1.054 40 0 DDABHN CS(=O)(=O)N1CCCc2cc([C@@H](O)CN3CCCC3)ccc21 ZINC000012291408 406840362 /nfs/dbraw/zinc/84/03/62/406840362.db2.gz BFXPHKKQFHOWOE-INIZCTEOSA-N 0 3 324.446 1.528 40 0 DDABHN COC(=O)[C@H](C)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000035622894 406974114 /nfs/dbraw/zinc/97/41/14/406974114.db2.gz QDXPEJJDZLXRNQ-NEPJUHHUSA-N 0 3 300.399 1.785 40 0 DDABHN COc1ccc(NC(=O)CNC[C@@H](O)c2ccccc2)cc1 ZINC000028616954 406918776 /nfs/dbraw/zinc/91/87/76/406918776.db2.gz BEMIUPCFAYMTQN-MRXNPFEDSA-N 0 3 300.358 1.957 40 0 DDABHN Cn1cc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cn1 ZINC000036740093 406982724 /nfs/dbraw/zinc/98/27/24/406982724.db2.gz GZVZOYHPHGSYII-ZBFHGGJFSA-N 0 3 320.343 1.808 40 0 DDABHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2CC1CC1)c1cnccn1 ZINC000096250324 407256030 /nfs/dbraw/zinc/25/60/30/407256030.db2.gz DBAWANKCMMSDPU-NUEKZKHPSA-N 0 3 316.405 1.096 40 0 DDABHN c1cc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)cs1 ZINC000096056248 407228935 /nfs/dbraw/zinc/22/89/35/407228935.db2.gz HTLNRBVEWGYVII-YESZJQIVSA-N 0 3 322.474 1.917 40 0 DDABHN O=S(=O)(C1CC1)N1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 ZINC000096055827 407229715 /nfs/dbraw/zinc/22/97/15/407229715.db2.gz HUTIUVSLWXJYPW-CABCVRRESA-N 0 3 314.451 1.054 40 0 DDABHN O=C(c1cnccn1)N1CC[C@@H]2CN(Cc3ccco3)C[C@@H]2C1 ZINC000096054151 407230070 /nfs/dbraw/zinc/23/00/70/407230070.db2.gz CHNNZJNPCJVTLK-ZIAGYGMSSA-N 0 3 312.373 1.664 40 0 DDABHN Cn1cc(CN2CCc3ccc(=O)n(CC4CC4)c3CC2)cn1 ZINC000096067762 407234345 /nfs/dbraw/zinc/23/43/45/407234345.db2.gz VYALOCDHGUTYFA-UHFFFAOYSA-N 0 3 312.417 1.593 40 0 DDABHN CN(C)CCn1c(=O)ccc2c1CCN(Cc1ccco1)CC2 ZINC000096196641 407246781 /nfs/dbraw/zinc/24/67/81/407246781.db2.gz XHHCCJATTOCQEM-UHFFFAOYSA-N 0 3 315.417 1.604 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@@H](NCc1ccccn1)C2 ZINC000096189669 407246806 /nfs/dbraw/zinc/24/68/06/407246806.db2.gz UMBYYGPOEMPDHM-OAHLLOKOSA-N 0 3 313.401 1.537 40 0 DDABHN Cc1nc(CN2C(=O)COC3(CCN(C)CC3)[C@H]2C)cs1 ZINC000096201590 407248404 /nfs/dbraw/zinc/24/84/04/407248404.db2.gz MOKDRCLXKJNRHH-LLVKDONJSA-N 0 3 309.435 1.663 40 0 DDABHN O=C(C[C@]12COC[C@H]1CN(Cc1cccnc1)C2)N1CCCO1 ZINC000096206781 407250135 /nfs/dbraw/zinc/25/01/35/407250135.db2.gz KLFRDVXETVEOJJ-WBVHZDCISA-N 0 3 317.389 1.084 40 0 DDABHN O=C([C@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCO1 ZINC000096216653 407250347 /nfs/dbraw/zinc/25/03/47/407250347.db2.gz CQPLTXBBVWCIPM-OAHLLOKOSA-N 0 3 320.389 1.957 40 0 DDABHN COC(=O)[C@H]1C[C@H](O)[C@@H](N2CCC(c3nc(C)cs3)CC2)C1 ZINC000096456387 407269701 /nfs/dbraw/zinc/26/97/01/407269701.db2.gz NUULIFSCPNKZOH-RDBSUJKOSA-N 0 3 324.446 1.943 40 0 DDABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccccc2N)C1 ZINC000255999854 407478801 /nfs/dbraw/zinc/47/88/01/407478801.db2.gz RPSOEEVYCCKIDJ-IUODEOHRSA-N 0 3 320.437 1.868 40 0 DDABHN OCCN1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257216000 407499267 /nfs/dbraw/zinc/49/92/67/407499267.db2.gz CSPUOVXOZCGWRW-GFCCVEGCSA-N 0 3 300.366 1.182 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)CC ZINC000218443079 407519728 /nfs/dbraw/zinc/51/97/28/407519728.db2.gz AHYIIUOXWGVNDO-PMPSAXMXSA-N 0 3 311.447 1.877 40 0 DDABHN CC(C)N(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000079409801 279299277 /nfs/dbraw/zinc/29/92/77/279299277.db2.gz BNOMVUNZSHBWQT-LBPRGKRZSA-N 0 3 313.442 1.970 40 0 DDABHN COc1ccc(CCNC(=O)C2CCN(C)CC2)cc1OC ZINC000074707378 185010909 /nfs/dbraw/zinc/01/09/09/185010909.db2.gz OMBCHXPTQVHQOM-UHFFFAOYSA-N 0 3 306.406 1.704 40 0 DDABHN NCC(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079392816 185168543 /nfs/dbraw/zinc/16/85/43/185168543.db2.gz UKBGMEYXUTXDNN-AWEZNQCLSA-N 0 3 305.378 1.253 40 0 DDABHN C[C@H](N)C(=O)NC[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393042 185168721 /nfs/dbraw/zinc/16/87/21/185168721.db2.gz VUEOHMJRRSBACT-ZFWWWQNUSA-N 0 3 319.405 1.641 40 0 DDABHN Cc1cc(NCc2nccn2C)nc([C@@H]2CCCN(C)C2)n1 ZINC000072365428 191134249 /nfs/dbraw/zinc/13/42/49/191134249.db2.gz AOUSLIUBRULLEP-CYBMUJFWSA-N 0 3 300.410 1.940 40 0 DDABHN CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H](C(N)=O)C1 ZINC000257312979 203035730 /nfs/dbraw/zinc/03/57/30/203035730.db2.gz UQMIGZUITMKJRW-GFCCVEGCSA-N 0 3 315.339 1.554 40 0 DDABHN NCC(=O)N1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257285739 203012835 /nfs/dbraw/zinc/01/28/35/203012835.db2.gz PIPDZBREEDGKQN-HNNXBMFYSA-N 0 3 306.381 1.725 40 0 DDABHN CN1CCN(Cc2cccc(C(F)(F)F)c2)C[C@H](C(N)=O)C1 ZINC000257330207 203053105 /nfs/dbraw/zinc/05/31/05/203053105.db2.gz XNJRCGOFVHSKIX-GFCCVEGCSA-N 0 3 315.339 1.554 40 0 DDABHN Cc1cc(C)c2[nH]c(=O)c(CNCCN3CCOCC3)cc2c1 ZINC000022921251 182340788 /nfs/dbraw/zinc/34/07/88/182340788.db2.gz GRNYTJRTCABBBU-UHFFFAOYSA-N 0 3 315.417 1.567 40 0 DDABHN Cc1c[nH]c([C@H]2COCCN2C(=O)CN2CCCCCC2)n1 ZINC000257253024 291618611 /nfs/dbraw/zinc/61/86/11/291618611.db2.gz JXHKKDVEYSULHW-CQSZACIVSA-N 0 3 306.410 1.494 40 0 DDABHN CCN(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[C@H](C)N ZINC000079391262 285022593 /nfs/dbraw/zinc/02/25/93/285022593.db2.gz NBINUTNWAMSZOJ-STQMWFEESA-N 0 3 313.442 1.829 40 0 DDABHN COCCNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2O1 ZINC000096043174 256553875 /nfs/dbraw/zinc/55/38/75/256553875.db2.gz UWPAHGLIZQFTTB-BBWFWOEESA-N 0 3 318.417 1.429 40 0 DDABHN CCS(=O)(=O)[C@@H]1CC[C@@](CN)(NC(=O)OC(C)(C)C)C1 ZINC000217948414 257131199 /nfs/dbraw/zinc/13/11/99/257131199.db2.gz DHSJUDWNALRYAX-ZWNOBZJWSA-N 0 3 306.428 1.196 40 0 DDABHN NC[C@H]1CCN(c2ccccc2Br)S1(=O)=O ZINC000222542719 407558808 /nfs/dbraw/zinc/55/88/08/407558808.db2.gz LFEOWHOVXPKGND-MRVPVSSYSA-N 0 3 305.197 1.316 40 0 DDABHN N[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001719791 406677708 /nfs/dbraw/zinc/67/77/08/406677708.db2.gz KGXGNCWRTGFTGA-HZPDHXFCSA-N 0 3 301.298 1.877 40 0 DDABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN(CCO)CCO ZINC000002694471 406696794 /nfs/dbraw/zinc/69/67/94/406696794.db2.gz BWBYPUBKWIJSCS-GJZGRUSLSA-N 0 3 311.422 1.226 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C)ccc1C ZINC000006953118 406744863 /nfs/dbraw/zinc/74/48/63/406744863.db2.gz FUCYUBHLGJOUCR-CQSZACIVSA-N 0 3 303.406 1.842 40 0 DDABHN COc1ccc(S[C@H](C)C(=O)NCCN(C)C)cc1OC ZINC000044849316 407030125 /nfs/dbraw/zinc/03/01/25/407030125.db2.gz GJWCBTURYDWTQJ-LLVKDONJSA-N 0 3 312.435 1.862 40 0 DDABHN CN(C)C(=O)CN1CCC2(CCN(Cc3ccco3)CC2)C1=O ZINC000096046842 407227562 /nfs/dbraw/zinc/22/75/62/407227562.db2.gz LVYWSLPGTXKTEV-UHFFFAOYSA-N 0 3 319.405 1.182 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCCC1 ZINC000096057204 407230591 /nfs/dbraw/zinc/23/05/91/407230591.db2.gz GTSSWYXYGKIJNU-INMHGKMJSA-N 0 3 318.417 1.987 40 0 DDABHN C[C@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1 ZINC000096062033 407231760 /nfs/dbraw/zinc/23/17/60/407231760.db2.gz HIQYKCKTGIVVDU-AWEZNQCLSA-N 0 3 303.454 1.417 40 0 DDABHN Cn1cccc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096110645 407239001 /nfs/dbraw/zinc/23/90/01/407239001.db2.gz GCSJTYIFZMNOGP-GASCZTMLSA-N 0 3 310.401 1.624 40 0 DDABHN O=C(c1cscn1)N1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000097953438 407303755 /nfs/dbraw/zinc/30/37/55/407303755.db2.gz KZBYXJKPAPFQRX-CFVMTHIKSA-N 0 3 321.446 1.859 40 0 DDABHN CC(=O)N1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1 ZINC000107203058 407370987 /nfs/dbraw/zinc/37/09/87/407370987.db2.gz NCHPHYPUXBUECH-RDBSUJKOSA-N 0 3 308.451 1.520 40 0 DDABHN CNCC(=O)N1CC(c2cc(Nc3ccccn3)nc(C)n2)C1 ZINC000257230050 407506541 /nfs/dbraw/zinc/50/65/41/407506541.db2.gz GAOVUJIOASCXIK-UHFFFAOYSA-N 0 3 312.377 1.069 40 0 DDABHN CCCS(=O)(=O)N1CCO[C@H](c2cc(NC)cc(C)n2)C1 ZINC000257250045 407516523 /nfs/dbraw/zinc/51/65/23/407516523.db2.gz JKTOBKBNSIRDDN-AWEZNQCLSA-N 0 3 313.423 1.545 40 0 DDABHN CCN(CC)C(=O)CN1CCNC[C@@H]1c1ccc(OC)cc1 ZINC000257245290 407517676 /nfs/dbraw/zinc/51/76/76/407517676.db2.gz IOVQGABANPYTSM-MRXNPFEDSA-N 0 3 305.422 1.510 40 0 DDABHN COc1ccc([C@@H]2CNCCN2CC(=O)N2CCCC2)cc1 ZINC000257258314 407522520 /nfs/dbraw/zinc/52/25/20/407522520.db2.gz KTHWPMOIRYPIET-INIZCTEOSA-N 0 3 303.406 1.264 40 0 DDABHN CNC(=O)[C@]1(C)CCCN(C(=O)c2ccc(CN(C)C)cc2)C1 ZINC000257323324 407534787 /nfs/dbraw/zinc/53/47/87/407534787.db2.gz WJRWHVPGGSVYCJ-GOSISDBHSA-N 0 3 317.433 1.737 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000408708124 418810739 /nfs/dbraw/zinc/81/07/39/418810739.db2.gz UWKSDJYJVSRGLL-ZBFHGGJFSA-N 0 3 317.433 1.507 40 0 DDABHN CC(C)N(C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccccc1 ZINC000096061680 279395738 /nfs/dbraw/zinc/39/57/38/279395738.db2.gz XUYQGUPDOQLOGT-CVEARBPZSA-N 0 3 310.463 1.972 40 0 DDABHN COC(=O)c1ccc(Cl)c(NC(=S)NCCN(C)C)c1 ZINC000225403945 201703246 /nfs/dbraw/zinc/70/32/46/201703246.db2.gz MGXFOIIQNVRMOQ-UHFFFAOYSA-N 0 3 315.826 1.975 40 0 DDABHN CN1CCC[C@@H](c2cnc(CCC(=O)NC(C)(C)CO)cn2)C1 ZINC000072366893 191136371 /nfs/dbraw/zinc/13/63/71/191136371.db2.gz RQIHTMNEFJEXFW-CYBMUJFWSA-N 0 3 320.437 1.106 40 0 DDABHN Cc1ccccc1O[C@@H]1CCC[C@H](N2CCN(C)CC2)[C@H]1O ZINC000585288861 354824992 /nfs/dbraw/zinc/82/49/92/354824992.db2.gz BBXFDPFYOLOSIS-CGTJXYLNSA-N 0 3 304.434 1.903 40 0 DDABHN Cc1nccc(CN2C[C@@H]3[C@H](Nc4cccnn4)CC[C@@H]3C2)n1 ZINC000257282189 203011075 /nfs/dbraw/zinc/01/10/75/203011075.db2.gz OSTWIEWRCFWOKT-VNQPRFMTSA-N 0 3 310.405 1.898 40 0 DDABHN Nc1cc(CC[C@@H]2CN(CC3(O)CCCCC3)CCO2)ccn1 ZINC000257317217 203041515 /nfs/dbraw/zinc/04/15/15/203041515.db2.gz VIVSGGIHOOIGNC-MRXNPFEDSA-N 0 3 319.449 1.992 40 0 DDABHN Cc1cc(O)c(C(=O)Nc2ccccc2)c(=O)n1CCN(C)C ZINC000016790287 182060962 /nfs/dbraw/zinc/06/09/62/182060962.db2.gz UFGFPBXNDNXNAF-UHFFFAOYSA-N 0 3 315.373 1.676 40 0 DDABHN CCCC(=O)N1CCc2nc([C@H]3CCCN(C)C3)ncc2C1 ZINC000019501625 182126080 /nfs/dbraw/zinc/12/60/80/182126080.db2.gz WIDQTXVFDNELSR-ZDUSSCGKSA-N 0 3 302.422 1.971 40 0 DDABHN CC(C)CC(=O)N1CCc2nnc([C@H]3CCCN(C)C3)n2CC1 ZINC000019709542 182137750 /nfs/dbraw/zinc/13/77/50/182137750.db2.gz IPCGKLMUUNXSED-AWEZNQCLSA-N 0 3 319.453 1.518 40 0 DDABHN C[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100177791 193795980 /nfs/dbraw/zinc/79/59/80/193795980.db2.gz XAEXRVSTRUUJFZ-AEGPPILISA-N 0 3 319.405 1.687 40 0 DDABHN CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000004763438 257218460 /nfs/dbraw/zinc/21/84/60/257218460.db2.gz LCJOVPVEQHMTHB-WKPIXPDZSA-N 0 3 316.405 1.054 40 0 DDABHN NC[C@H]1CCN(Cc2ccc(Cl)cc2Cl)S1(=O)=O ZINC000222537776 407558575 /nfs/dbraw/zinc/55/85/75/407558575.db2.gz SBWOCPJVBDGQCM-SNVBAGLBSA-N 0 3 309.218 1.856 40 0 DDABHN COc1ccc([C@@H]2CNCCN2CC2(O)CCOCC2)cc1 ZINC000257247982 286363552 /nfs/dbraw/zinc/36/35/52/286363552.db2.gz JBMLLKPBGACLLH-INIZCTEOSA-N 0 3 306.406 1.183 40 0 DDABHN CCN(CC)C[C@H](OC(=O)c1ccc(N)cc1)[C@H](COC)OC ZINC000001646398 406675664 /nfs/dbraw/zinc/67/56/64/406675664.db2.gz LCUMRFCUJAIYHO-HOTGVXAUSA-N 0 3 324.421 1.797 40 0 DDABHN O=c1[nH]c2ccccc2cc1CNCCCN1CCOCC1 ZINC000013998950 406870494 /nfs/dbraw/zinc/87/04/94/406870494.db2.gz MMOWKVBJVHFXNH-UHFFFAOYSA-N 0 3 301.390 1.340 40 0 DDABHN O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1cncnc1 ZINC000096245198 407254550 /nfs/dbraw/zinc/25/45/50/407254550.db2.gz IMSKHAIRTYFPNZ-JSGCOSHPSA-N 0 3 300.387 1.633 40 0 DDABHN Cn1cc(-c2ncnc3c2CCN(Cc2ccccn2)CC3)cn1 ZINC000096255197 407257091 /nfs/dbraw/zinc/25/70/91/407257091.db2.gz VSBJBFOBVGAMDA-UHFFFAOYSA-N 0 3 320.400 1.873 40 0 DDABHN O=C1[C@H]2CN(Cc3cccnc3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054639 407229008 /nfs/dbraw/zinc/22/90/08/407229008.db2.gz IIMPMNQWCNHPSR-ROUUACIJSA-N 0 3 322.412 1.957 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccncc1 ZINC000096055220 407229171 /nfs/dbraw/zinc/22/91/71/407229171.db2.gz ACAYDEMXNRJPKB-RCCFBDPRSA-N 0 3 319.449 1.639 40 0 DDABHN COCC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096062851 407232638 /nfs/dbraw/zinc/23/26/38/407232638.db2.gz JHDOQYGHWCCDSA-UHFFFAOYSA-N 0 3 303.406 1.543 40 0 DDABHN O=C([C@H]1CCOC1)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096161719 407242503 /nfs/dbraw/zinc/24/25/03/407242503.db2.gz IFFCQRWDOMWIBZ-HRCADAONSA-N 0 3 318.392 1.752 40 0 DDABHN COc1cccc(CC(=O)N2CCOC[C@@]3(CCN(C)C3)C2)c1 ZINC000096201951 407248798 /nfs/dbraw/zinc/24/87/98/407248798.db2.gz XQENNXHRQSYJLX-GOSISDBHSA-N 0 3 318.417 1.418 40 0 DDABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000108535935 407387225 /nfs/dbraw/zinc/38/72/25/407387225.db2.gz YZPVUOIJFWMHHC-UHFFFAOYSA-N 0 3 309.435 1.375 40 0 DDABHN COc1ccc(-c2nc(C)cc(N3CCNCC3)n2)cc1OC ZINC000225321229 407580470 /nfs/dbraw/zinc/58/04/70/407580470.db2.gz YJPXIYCGUJCTGO-UHFFFAOYSA-N 0 3 314.389 1.879 40 0 DDABHN COc1ccccc1[C@@H]1CNCCN1CC1(O)CCOCC1 ZINC000257238192 407511411 /nfs/dbraw/zinc/51/14/11/407511411.db2.gz HJYIWAPMRZQVTE-HNNXBMFYSA-N 0 3 306.406 1.183 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(OC)cc2)[C@@]1(CN)COC ZINC000218084951 407512451 /nfs/dbraw/zinc/51/24/51/407512451.db2.gz KSHXAXZOAQSFCB-QLFBSQMISA-N 0 3 313.419 1.187 40 0 DDABHN O=C(C1CC1)N1CC[C@H](O)[C@@H](N2CCc3ccccc3C2)CC1 ZINC000257313730 407533818 /nfs/dbraw/zinc/53/38/18/407533818.db2.gz UTWBSRRUSSGCAK-ROUUACIJSA-N 0 3 314.429 1.807 40 0 DDABHN COCCN1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247907961 408514491 /nfs/dbraw/zinc/51/44/91/408514491.db2.gz XMFITNAHAOLRIU-IRXDYDNUSA-N 0 3 306.406 1.978 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)c1ccccc1 ZINC000408708119 418810891 /nfs/dbraw/zinc/81/08/91/418810891.db2.gz UWKSDJYJVSRGLL-GOEBONIOSA-N 0 3 317.433 1.507 40 0 DDABHN COCCN1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040056 277227325 /nfs/dbraw/zinc/22/73/25/277227325.db2.gz 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/nfs/dbraw/zinc/80/28/90/354802890.db2.gz AAUBQWHHLFRLLV-ZIAGYGMSSA-N 0 3 310.463 1.187 40 0 DDABHN Cn1cncc1CN1CCC[C@@]2(CCC(=O)N2CCF)CC1 ZINC000585100819 354806887 /nfs/dbraw/zinc/80/68/87/354806887.db2.gz XUCZBTBUUHLBRW-MRXNPFEDSA-N 0 3 308.401 1.737 40 0 DDABHN CN(C)C/C=C/C(=O)N1CC[C@H](Oc2ccccc2)[C@@](C)(O)C1 ZINC000585289824 354825203 /nfs/dbraw/zinc/82/52/03/354825203.db2.gz OEYMODMJMQSBPA-IGHXGINGSA-N 0 3 318.417 1.535 40 0 DDABHN CN(C)C(=O)CO[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047813 193501474 /nfs/dbraw/zinc/50/14/74/193501474.db2.gz ZXRLOGNVSRMSGU-HNNXBMFYSA-N 0 3 322.405 1.508 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)cn1 ZINC000096050530 193502883 /nfs/dbraw/zinc/50/28/83/193502883.db2.gz VDYZOUXXDIFNRF-QGZVFWFLSA-N 0 3 311.389 1.444 40 0 DDABHN COCCNC(=O)[C@@]1(CCCc2cnccn2)CCCN1C ZINC000257233507 285070622 /nfs/dbraw/zinc/07/06/22/285070622.db2.gz GPOSAUGMJHNNSU-MRXNPFEDSA-N 0 3 306.410 1.026 40 0 DDABHN CC[C@H](CO)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000008327020 406786470 /nfs/dbraw/zinc/78/64/70/406786470.db2.gz HCHXPHSHKPAHQC-SNVBAGLBSA-N 0 3 316.785 1.073 40 0 DDABHN COc1ccc2cc(C(=O)N3CCOC[C@H]3CN(C)C)[nH]c2c1 ZINC000085470270 407102860 /nfs/dbraw/zinc/10/28/60/407102860.db2.gz TZLNDOFUFYLAII-CYBMUJFWSA-N 0 3 317.389 1.579 40 0 DDABHN CCOCCN1C[C@H]2OC[C@@H](C(=O)Nc3cccnc3)[C@H]2C1 ZINC000096219563 407251787 /nfs/dbraw/zinc/25/17/87/407251787.db2.gz UQNMKCYJDVJEAW-RBSFLKMASA-N 0 3 305.378 1.003 40 0 DDABHN CN(C)CCN1CC[C@@]2(CCCN(Cc3cccn3C)C2)C1=O ZINC000096223858 407252851 /nfs/dbraw/zinc/25/28/51/407252851.db2.gz ROPWFXKHTGYRIK-GOSISDBHSA-N 0 3 318.465 1.401 40 0 DDABHN Cn1cc(N2C[C@]3(CCN(Cc4ccncc4)C3)CC2=O)cn1 ZINC000096239304 407254887 /nfs/dbraw/zinc/25/48/87/407254887.db2.gz QESAAOUWRYWRIK-QGZVFWFLSA-N 0 3 311.389 1.444 40 0 DDABHN c1cn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3CC2CCOCC2)cn1 ZINC000096250216 407255723 /nfs/dbraw/zinc/25/57/23/407255723.db2.gz BOPKJIKXOJLDEX-GVDBMIGSSA-N 0 3 305.422 1.789 40 0 DDABHN CC(C)Nc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096255510 407256729 /nfs/dbraw/zinc/25/67/29/407256729.db2.gz HOTAMCPWXBPGIB-UHFFFAOYSA-N 0 3 300.410 1.631 40 0 DDABHN CCN1C[C@@H](C(=O)NCCc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096041298 407225181 /nfs/dbraw/zinc/22/51/81/407225181.db2.gz IGDQHYFRPTZAOC-NWANDNLSSA-N 0 3 308.447 1.906 40 0 DDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(C(=O)c3ccoc3)C2)O1 ZINC000096063301 407233014 /nfs/dbraw/zinc/23/30/14/407233014.db2.gz DNUBQJUMSMLYRB-GDBMZVCRSA-N 0 3 308.378 1.231 40 0 DDABHN O=C(N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@H]12)c1ccnnc1 ZINC000096065188 407233248 /nfs/dbraw/zinc/23/32/48/407233248.db2.gz WNGDKXDGIYPEDT-IMJJTQAJSA-N 0 3 316.405 1.238 40 0 DDABHN O=C(CC1CC1)NC[C@]12COC[C@H]1CN(Cc1ccncc1)C2 ZINC000096108421 407237484 /nfs/dbraw/zinc/23/74/84/407237484.db2.gz KJQSETGEHFQEJY-AEFFLSMTSA-N 0 3 315.417 1.446 40 0 DDABHN Fc1ccc(CN2C[C@@H]3COC[C@]3(CN3CCOCC3)C2)cc1 ZINC000096108274 407237643 /nfs/dbraw/zinc/23/76/43/407237643.db2.gz KRBZUNYZKHVZOA-AEFFLSMTSA-N 0 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FCCQBUQKNMMMBT-HNNXBMFYSA-N 0 3 315.377 1.393 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)c3ccn[nH]3)CCO2)n1 ZINC000257224508 407503011 /nfs/dbraw/zinc/50/30/11/407503011.db2.gz FCCQBUQKNMMMBT-HNNXBMFYSA-N 0 3 315.377 1.393 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218470563 407519918 /nfs/dbraw/zinc/51/99/18/407519918.db2.gz NSWHTGUSYRGYPH-PMPSAXMXSA-N 0 3 311.447 1.741 40 0 DDABHN CN(C)CCN1CCO[C@@H]2CCN(C(=O)c3ccoc3)CC[C@H]21 ZINC000247987918 408523527 /nfs/dbraw/zinc/52/35/27/408523527.db2.gz KXIXCDJGBOTPFK-HZPDHXFCSA-N 0 3 321.421 1.147 40 0 DDABHN CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N32 ZINC000050353392 276285789 /nfs/dbraw/zinc/28/57/89/276285789.db2.gz BUANTXPATFEOJA-QMVSFRDZSA-N 0 3 323.389 1.313 40 0 DDABHN CCOC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N32 ZINC000050353392 276285790 /nfs/dbraw/zinc/28/57/90/276285790.db2.gz BUANTXPATFEOJA-QMVSFRDZSA-N 0 3 323.389 1.313 40 0 DDABHN CC(C)N(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)CN ZINC000079391115 277571525 /nfs/dbraw/zinc/57/15/25/277571525.db2.gz MSLXBJIHXNQASN-CYBMUJFWSA-N 0 3 313.442 1.972 40 0 DDABHN CC(C)(C)OC(=O)N(CC1CCN(C(=O)CN)CC1)C1CC1 ZINC000079409407 185169742 /nfs/dbraw/zinc/16/97/42/185169742.db2.gz UVSFZLXDGGNRNW-UHFFFAOYSA-N 0 3 311.426 1.583 40 0 DDABHN CN(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412263 185169859 /nfs/dbraw/zinc/16/98/59/185169859.db2.gz SHMVJVHCUBHQQG-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079410065 185169966 /nfs/dbraw/zinc/16/99/66/185169966.db2.gz YIDFKWFMTAVXJE-OLZOCXBDSA-N 0 3 313.442 1.685 40 0 DDABHN CCN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079412406 185170411 /nfs/dbraw/zinc/17/04/11/185170411.db2.gz PVMJIULOKIQMBN-UHFFFAOYSA-N 0 3 319.405 1.595 40 0 DDABHN CN(C(=O)CN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392857 185168504 /nfs/dbraw/zinc/16/85/04/185168504.db2.gz MOQWJDLPVPDIIC-UHFFFAOYSA-N 0 3 305.378 1.205 40 0 DDABHN COC[C@@H]1CN(CC2CC2)C2(CN(C(=O)c3c[nH]c(C)n3)C2)C1 ZINC000585093998 354803447 /nfs/dbraw/zinc/80/34/47/354803447.db2.gz XQZJNTMGKOVACJ-AWEZNQCLSA-N 0 3 318.421 1.291 40 0 DDABHN C[N@@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1 ZINC000019590216 182132552 /nfs/dbraw/zinc/13/25/52/182132552.db2.gz LLWWOCBWRDWETE-LBPRGKRZSA-N 0 3 316.405 1.286 40 0 DDABHN C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1 ZINC000019590216 182132554 /nfs/dbraw/zinc/13/25/54/182132554.db2.gz LLWWOCBWRDWETE-LBPRGKRZSA-N 0 3 316.405 1.286 40 0 DDABHN CCN(C[C@@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391257 285022852 /nfs/dbraw/zinc/02/28/52/285022852.db2.gz VXXLDOKACPPPBD-STQMWFEESA-N 0 3 313.442 1.972 40 0 DDABHN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccccc3)[C@@]2(N)CN)cc1 ZINC000218048209 257131782 /nfs/dbraw/zinc/13/17/82/257131782.db2.gz FSMVVSJHQLJGST-BBWFWOEESA-N 0 3 316.426 1.591 40 0 DDABHN COc1ccc(N2C(=O)C[C@@H](SC3=NCCN3)C2=O)cc1 ZINC000001101417 406662005 /nfs/dbraw/zinc/66/20/05/406662005.db2.gz NRYVMRGNZYPPSX-LLVKDONJSA-N 0 3 305.359 1.020 40 0 DDABHN O=C1CCC2(CCN([C@H]3CCOC3)CC2)N1Cc1cccnc1 ZINC000096228154 407254220 /nfs/dbraw/zinc/25/42/20/407254220.db2.gz BFTJOMAYKGRBSQ-INIZCTEOSA-N 0 3 315.417 1.828 40 0 DDABHN CN(C)C(=O)NC[C@@H]1CC12CCN(Cc1cccnc1)CC2 ZINC000096238294 407255143 /nfs/dbraw/zinc/25/51/43/407255143.db2.gz XDIIQJJSUBRDAL-HNNXBMFYSA-N 0 3 302.422 1.955 40 0 DDABHN COCC(=O)N1C[C@@H]2CCN(Cc3c(C)noc3C)C[C@@H]2C1 ZINC000096246155 407255567 /nfs/dbraw/zinc/25/55/67/407255567.db2.gz RWMRCYIQEIDPJB-UONOGXRCSA-N 0 3 307.394 1.218 40 0 DDABHN Fc1cnc(N2CCO[C@H]3CN(CC4CCCC4)C[C@H]32)nc1 ZINC000096248862 407255575 /nfs/dbraw/zinc/25/55/75/407255575.db2.gz QLIVNFHPVGSKDR-CABCVRRESA-N 0 3 306.385 1.695 40 0 DDABHN Cc1noc(C)c1CN1C[C@H]2[C@H](CC[C@@]23N=C(C)N(C)C3=O)C1 ZINC000096261395 407258133 /nfs/dbraw/zinc/25/81/33/407258133.db2.gz OXQWIKMMYNFBRQ-UKPHBRMFSA-N 0 3 316.405 1.762 40 0 DDABHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@H]12)c1ccno1 ZINC000096040653 407225532 /nfs/dbraw/zinc/22/55/32/407225532.db2.gz TVHIEWCQAUOLHQ-GUTXKFCHSA-N 0 3 305.378 1.294 40 0 DDABHN CN1CC[C@@H]2OC[C@H](C(=O)NCCc3cccs3)C[C@@H]2C1 ZINC000096042672 407225949 /nfs/dbraw/zinc/22/59/49/407225949.db2.gz ZDUMGEDMYZGCJI-NFAWXSAZSA-N 0 3 308.447 1.764 40 0 DDABHN CC(C)NC(=O)[C@H]1CN(Cc2cccnc2)CC12CCOCC2 ZINC000096052106 407228264 /nfs/dbraw/zinc/22/82/64/407228264.db2.gz VVGSCGVNVXQTQS-MRXNPFEDSA-N 0 3 317.433 1.835 40 0 DDABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)n1 ZINC000096053758 407229452 /nfs/dbraw/zinc/22/94/52/407229452.db2.gz QJUXOOCXDQTZQK-CALCHBBNSA-N 0 3 322.412 1.989 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)NCC1CC1 ZINC000096057162 407230881 /nfs/dbraw/zinc/23/08/81/407230881.db2.gz XVICYACIUCMAAZ-INMHGKMJSA-N 0 3 318.417 1.890 40 0 DDABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(C(=O)c3ccc[nH]3)CC[C@@H]21 ZINC000096064371 407233270 /nfs/dbraw/zinc/23/32/70/407233270.db2.gz WMSLXHDPYDJKRI-YCPHGPKFSA-N 0 3 318.421 1.028 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)COc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096107954 407237310 /nfs/dbraw/zinc/23/73/10/407237310.db2.gz LMEFHTNQABPARS-SWLSCSKDSA-N 0 3 324.808 1.508 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nn1CC)CC[C@H]2OC ZINC000096108533 407237387 /nfs/dbraw/zinc/23/73/87/407237387.db2.gz FSVTWJIQLVSBTI-NUEKZKHPSA-N 0 3 320.437 1.393 40 0 DDABHN Fc1cnc(N2CCC[C@@]3(CCN([C@H]4CCOC4)C3)C2)nc1 ZINC000107192118 407370379 /nfs/dbraw/zinc/37/03/79/407370379.db2.gz HPCIPRYVNUJZCO-HOCLYGCPSA-N 0 3 306.385 1.697 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3ccnnc3)CCO2)c1 ZINC000257215805 407499994 /nfs/dbraw/zinc/49/99/94/407499994.db2.gz CRTGLIJCPBPCNV-OAHLLOKOSA-N 0 3 313.361 1.435 40 0 DDABHN Cc1noc(C)c1-c1cncc([C@@H]2CCCN2C(=O)CN)n1 ZINC000257249643 407518731 /nfs/dbraw/zinc/51/87/31/407518731.db2.gz JJFAHEJCVOCVFT-ZDUSSCGKSA-N 0 3 301.350 1.371 40 0 DDABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)CC)[C@@]2(CN)COC)cc1 ZINC000218494827 407519546 /nfs/dbraw/zinc/51/95/46/407519546.db2.gz DPYHRDDCUSZRRL-JYJNAYRXSA-N 0 3 311.447 1.741 40 0 DDABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)n1 ZINC000257267420 407530447 /nfs/dbraw/zinc/53/04/47/407530447.db2.gz MHGHEBHRZWDETL-HNNXBMFYSA-N 0 3 312.373 1.889 40 0 DDABHN Cc1cc(=O)[nH]c([C@H](C)N2CCC[C@H](CN3CCOCC3)C2)n1 ZINC000192586729 408613460 /nfs/dbraw/zinc/61/34/60/408613460.db2.gz JVKAPEUKKDKWFT-LSDHHAIUSA-N 0 3 320.437 1.596 40 0 DDABHN CC(C)(C)OC(=O)N1CCC[C@H](CN(C(=O)CN)C2CC2)C1 ZINC000079391155 278393931 /nfs/dbraw/zinc/39/39/31/278393931.db2.gz AITCCNADPFYHEV-LBPRGKRZSA-N 0 3 311.426 1.583 40 0 DDABHN NC[C@@]1(N)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036781 484146512 /nfs/dbraw/zinc/14/65/12/484146512.db2.gz ZIAHXLVQMCPXBT-HRCADAONSA-N 0 3 302.399 1.283 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079410031 185169863 /nfs/dbraw/zinc/16/98/63/185169863.db2.gz FAJVZULETJMUQB-AGIUHOORSA-N 0 3 313.442 1.922 40 0 DDABHN CN(C)CCNC(=O)[C@@H]1CCc2[nH]nc(-c3ccsc3)c2C1 ZINC000306123209 231084533 /nfs/dbraw/zinc/08/45/33/231084533.db2.gz AHIDTWVKAPMLFY-LLVKDONJSA-N 0 3 318.446 1.921 40 0 DDABHN CC(C)N(C[C@H]1CCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409782 185169570 /nfs/dbraw/zinc/16/95/70/185169570.db2.gz DGGWYHHNUCAYNN-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN O[C@@]1(COc2ccc(F)c(F)c2)COCCN(C2CCC2)C1 ZINC000585281193 354823036 /nfs/dbraw/zinc/82/30/36/354823036.db2.gz GIMCCJAVSSNZPP-MRXNPFEDSA-N 0 3 313.344 1.959 40 0 DDABHN CNc1nccnc1C[C@H]1CCCN(C(=O)C2(N)CCCC2)C1 ZINC000257279960 203007656 /nfs/dbraw/zinc/00/76/56/203007656.db2.gz OIXFFCVIYSRDHI-CYBMUJFWSA-N 0 3 317.437 1.571 40 0 DDABHN Cc1oc2c(c1C(=O)N1CC[C@](O)(CN(C)C)C1)CCCC2 ZINC000257281865 203010912 /nfs/dbraw/zinc/01/09/12/203010912.db2.gz ORHCOZWOQLXVGJ-KRWDZBQOSA-N 0 3 306.406 1.605 40 0 DDABHN Cc1noc(C)c1-c1cc(C[C@H]2CCN(C(=O)CN)C2)ncn1 ZINC000257284494 203012269 /nfs/dbraw/zinc/01/22/69/203012269.db2.gz PCXJSNNZNBVFHB-GFCCVEGCSA-N 0 3 315.377 1.098 40 0 DDABHN Cc1cccc(C(=O)N2CCO[C@@H](c3cc(N)cc(C)n3)C2)n1 ZINC000257333966 203055547 /nfs/dbraw/zinc/05/55/47/203055547.db2.gz YDXRDMVMECSPFX-MRXNPFEDSA-N 0 3 312.373 1.889 40 0 DDABHN Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCNCC1 ZINC000072222530 257124274 /nfs/dbraw/zinc/12/42/74/257124274.db2.gz DBKSWGLFOJQKMP-UHFFFAOYSA-N 0 3 306.410 1.824 40 0 DDABHN CCN1CC2(C1)CN(CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289782 257215131 /nfs/dbraw/zinc/21/51/31/257215131.db2.gz OMSVSQQACZZIEK-ZWKOTPCHSA-N 0 3 315.461 1.054 40 0 biogenic,in-vitro DDABHN NC[C@H]1CCN(c2ccc(OC3CCCC3)cc2)S1(=O)=O ZINC000222545967 407558960 /nfs/dbraw/zinc/55/89/60/407558960.db2.gz BLEACDIEZNNUFC-OAHLLOKOSA-N 0 3 310.419 1.875 40 0 DDABHN Nc1nonc1CC(=O)N1CCCC[C@@H]1CN1CCCCC1 ZINC000012361001 406842157 /nfs/dbraw/zinc/84/21/57/406842157.db2.gz LWVGWJQKAHCAOK-GFCCVEGCSA-N 0 3 307.398 1.061 40 0 DDABHN CCOC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N32 ZINC000050353394 407130155 /nfs/dbraw/zinc/13/01/55/407130155.db2.gz BUANTXPATFEOJA-BJJPWKGXSA-N 0 3 323.389 1.313 40 0 DDABHN CCOC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N32 ZINC000050353394 407130157 /nfs/dbraw/zinc/13/01/57/407130157.db2.gz BUANTXPATFEOJA-BJJPWKGXSA-N 0 3 323.389 1.313 40 0 DDABHN NNc1nccc(Br)c1I ZINC000090613244 407169459 /nfs/dbraw/zinc/16/94/59/407169459.db2.gz ITTQYIFBRJKSLD-UHFFFAOYSA-N 0 3 313.924 1.734 40 0 DDABHN NN=c1[nH]ccc(Br)c1I ZINC000090613244 407169461 /nfs/dbraw/zinc/16/94/61/407169461.db2.gz ITTQYIFBRJKSLD-UHFFFAOYSA-N 0 3 313.924 1.734 40 0 DDABHN CN(C)C(=O)N[C@@H]1COCCC12CCN(Cc1ccoc1)CC2 ZINC000096218798 407252072 /nfs/dbraw/zinc/25/20/72/407252072.db2.gz TVDNIMWFMRNWGY-OAHLLOKOSA-N 0 3 321.421 1.922 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3cccnc3)C2)C1=O ZINC000096223971 407252550 /nfs/dbraw/zinc/25/25/50/407252550.db2.gz RDJYFRJRSXHBKL-KRWDZBQOSA-N 0 3 303.406 1.543 40 0 DDABHN Cn1cc(CN2CCC3(CC2)C(=O)N[C@@H]3c2ccccc2)cn1 ZINC000096244717 407254967 /nfs/dbraw/zinc/25/49/67/407254967.db2.gz GIOZZMXVZRTOGG-MRXNPFEDSA-N 0 3 310.401 1.873 40 0 DDABHN c1cn(Cc2noc3c2CN(CCN2CCCC2)CC3)cn1 ZINC000096259766 407258391 /nfs/dbraw/zinc/25/83/91/407258391.db2.gz WIJCNKQCROFASU-UHFFFAOYSA-N 0 3 301.394 1.373 40 0 DDABHN COCCN1CCOC[C@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096049457 407227177 /nfs/dbraw/zinc/22/71/77/407227177.db2.gz DDTSJKFJBRKERG-QGZVFWFLSA-N 0 3 308.422 1.840 40 0 DDABHN CCN1CCN(C)C2(CCN(Cc3ccc(C)o3)CC2)C1=O ZINC000096050041 407228573 /nfs/dbraw/zinc/22/85/73/407228573.db2.gz BYBVWPIXYSYWGZ-UHFFFAOYSA-N 0 3 305.422 1.717 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC000096056478 407230713 /nfs/dbraw/zinc/23/07/13/407230713.db2.gz PVJJMOGAERWUJT-CVEARBPZSA-N 0 3 302.422 1.209 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1 ZINC000096076260 407234720 /nfs/dbraw/zinc/23/47/20/407234720.db2.gz YSURDIBCCORALR-KRWDZBQOSA-N 0 3 320.437 1.383 40 0 DDABHN COCC(=O)N1CC[C@]2(C1)CCCN(Cc1ccccn1)C2 ZINC000096100144 407236567 /nfs/dbraw/zinc/23/65/67/407236567.db2.gz GMULQVDQODBKIN-QGZVFWFLSA-N 0 3 303.406 1.543 40 0 DDABHN COc1ncccc1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1 ZINC000096110020 407239025 /nfs/dbraw/zinc/23/90/25/407239025.db2.gz ZRVIIRBHKQPJIA-RHSMWYFYSA-N 0 3 319.405 1.063 40 0 DDABHN CN(C)C(=O)COCc1cncc2c1CCN(CC1CC1)C2 ZINC000096189388 407246641 /nfs/dbraw/zinc/24/66/41/407246641.db2.gz SXTOLXRMEDRGLA-UHFFFAOYSA-N 0 3 303.406 1.455 40 0 DDABHN CN(C)CCN1CCN(Cc2nccs2)Cc2cccnc21 ZINC000096198830 407247806 /nfs/dbraw/zinc/24/78/06/407247806.db2.gz WWVWZQHKCOPZRL-UHFFFAOYSA-N 0 3 317.462 1.922 40 0 DDABHN O=C1CO[C@H]2CN(C3CCC3)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897175 407289576 /nfs/dbraw/zinc/28/95/76/407289576.db2.gz BYAHRGOTYRYRKG-CVEARBPZSA-N 0 3 304.365 1.790 40 0 biogenic,in-vitro DDABHN Cc1cnccc1CN1CC[C@H](O)[C@@H](NC(=O)C(C)C)CC1 ZINC000257202613 407494399 /nfs/dbraw/zinc/49/43/99/407494399.db2.gz AMPQPKYZECIBQD-HOTGVXAUSA-N 0 3 305.422 1.488 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218516196 407518788 /nfs/dbraw/zinc/51/87/88/407518788.db2.gz GOFMPXOHXQZUAS-MELADBBJSA-N 0 3 301.383 1.318 40 0 DDABHN NCc1cn(-c2ccccc2C(=O)NCCc2ccncc2)cn1 ZINC000257255116 407519993 /nfs/dbraw/zinc/51/99/93/407519993.db2.gz KGDWRDDKWFOBLQ-UHFFFAOYSA-N 0 3 321.384 1.699 40 0 DDABHN NCCN1C(=O)c2ccccc2[C@@]1(O)c1ccc(Cl)cc1 ZINC000001572315 295233173 /nfs/dbraw/zinc/23/31/73/295233173.db2.gz KJJNDJAXTRLOOD-INIZCTEOSA-N 0 3 302.761 1.948 40 0 in-vitro DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)C1CC=CC1 ZINC000096041499 282109209 /nfs/dbraw/zinc/10/92/09/282109209.db2.gz YMRQCJZEHWWNJC-ARFHVFGLSA-N 0 3 308.422 1.289 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079412402 185170457 /nfs/dbraw/zinc/17/04/57/185170457.db2.gz MNGFFFMMYKIFID-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN CN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392845 185168291 /nfs/dbraw/zinc/16/82/91/185168291.db2.gz XJLXCVZSFIVJMR-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN OCCN1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361629 191131831 /nfs/dbraw/zinc/13/18/31/191131831.db2.gz WSEATPCVDKQPQY-GFCCVEGCSA-N 0 3 300.366 1.182 40 0 DDABHN COc1ccc2ccccc2c1CNC[C@@H]1COC[C@@H](O)[C@H]1O ZINC000585286556 354824309 /nfs/dbraw/zinc/82/43/09/354824309.db2.gz KYZABPVELZPEAJ-QBIMZIAESA-N 0 3 317.385 1.306 40 0 DDABHN COc1cccc(CNC(=O)c2cc3c(nc2N)CCNC3)c1 ZINC000257290837 203016064 /nfs/dbraw/zinc/01/60/64/203016064.db2.gz QENGEUCTJCUCRI-UHFFFAOYSA-N 0 3 312.373 1.248 40 0 DDABHN COc1ccc([C@@H]2CNCCN2CC(=O)N2CCCCC2)cc1 ZINC000257332322 203055278 /nfs/dbraw/zinc/05/52/78/203055278.db2.gz XWTPXXNKGQCSOD-KRWDZBQOSA-N 0 3 317.433 1.654 40 0 DDABHN NC[C@]1(CO)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252515289 257106397 /nfs/dbraw/zinc/10/63/97/257106397.db2.gz IFEBLMVDUZKFJD-BBWFWOEESA-N 0 3 317.410 1.564 40 0 DDABHN Cc1cc(SCC(=O)NCCC[NH+](C)C)[n-]c(=S)n1 ZINC000016283651 406882467 /nfs/dbraw/zinc/88/24/67/406882467.db2.gz GPAFCSIJQFOXNU-UHFFFAOYSA-N 0 3 300.453 1.234 40 0 DDABHN C1CN([C@@H]2CC[C@@H]3S[C@H]2CC[C@H]3N2CCOCC2)CCO1 ZINC000035904207 406976413 /nfs/dbraw/zinc/97/64/13/406976413.db2.gz AISSRCQTANXUHV-WCVJEAGWSA-N 0 3 312.479 1.446 40 0 DDABHN O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1cncnc1 ZINC000096239202 407254956 /nfs/dbraw/zinc/25/49/56/407254956.db2.gz ANSYLQNVJJZPNS-QGZVFWFLSA-N 0 3 309.373 1.501 40 0 DDABHN COCCNC(=O)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096038854 407224803 /nfs/dbraw/zinc/22/48/03/407224803.db2.gz BDAZUQUWOGFPIL-RRFJBIMHSA-N 0 3 324.446 1.348 40 0 DDABHN Cc1oncc1C(=O)N[C@@H]1CN(C2CCC2)C[C@@H]2CCCO[C@H]12 ZINC000096040656 407225520 /nfs/dbraw/zinc/22/55/20/407225520.db2.gz DIAPMPFUYMTFCZ-MAZHCROVSA-N 0 3 319.405 1.745 40 0 DDABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1ccoc1)CC2 ZINC000096047816 407227537 /nfs/dbraw/zinc/22/75/37/407227537.db2.gz CLHJTCWGLCGYJO-OAHLLOKOSA-N 0 3 322.405 1.508 40 0 DDABHN CC(C)NC(=O)[C@H]1CN(Cc2ccncc2)CC12CCOCC2 ZINC000096052108 407228411 /nfs/dbraw/zinc/22/84/11/407228411.db2.gz GTSOKOASWJJHKZ-MRXNPFEDSA-N 0 3 317.433 1.835 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cnn(C)c4)C[C@H]32)n1 ZINC000096057248 407231107 /nfs/dbraw/zinc/23/11/07/407231107.db2.gz ORECSWVESKBZDI-KFWWJZLASA-N 0 3 317.393 1.049 40 0 DDABHN c1cc(CNC[C@H]2Cn3nnc(-c4ccncc4)c3CO2)ccn1 ZINC000096087220 407235708 /nfs/dbraw/zinc/23/57/08/407235708.db2.gz SHSORRSDLNPYIK-HNNXBMFYSA-N 0 3 322.372 1.424 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccc(C)o1)CC[C@H]2OC ZINC000096108542 407238178 /nfs/dbraw/zinc/23/81/78/407238178.db2.gz BHUIVLPQQVXPIZ-GVDBMIGSSA-N 0 3 308.422 1.756 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096201932 407248566 /nfs/dbraw/zinc/24/85/66/407248566.db2.gz NPMBVRJTPHRBFU-HNNXBMFYSA-N 0 3 310.419 1.029 40 0 DDABHN Cn1ncc(CNCCCN2CCOCC2)c1C(F)(F)F ZINC000256050982 407478564 /nfs/dbraw/zinc/47/85/64/407478564.db2.gz HHCKDGGASREMAK-UHFFFAOYSA-N 0 3 306.332 1.251 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@@]1(CN)COC ZINC000218544746 407522312 /nfs/dbraw/zinc/52/23/12/407522312.db2.gz VIEAGEMYHAWIPR-BFHYXJOUSA-N 0 3 301.383 1.318 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccncc2)c1 ZINC000257256865 407524383 /nfs/dbraw/zinc/52/43/83/407524383.db2.gz KNFUNYFORRKBBN-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN Cc1noc(C)c1-c1cnc(C2CCN(C(=O)CN)CC2)cn1 ZINC000257266102 407526995 /nfs/dbraw/zinc/52/69/95/407526995.db2.gz MBPKFYIEVNWWCS-UHFFFAOYSA-N 0 3 315.377 1.413 40 0 DDABHN COc1ccc2[nH]cc(C(=O)N3CC[C@](O)(CN(C)C)C3)c2c1 ZINC000257305052 407533517 /nfs/dbraw/zinc/53/35/17/407533517.db2.gz SOFNXHBLNQEVFL-KRWDZBQOSA-N 0 3 317.389 1.315 40 0 DDABHN Cc1ncc(CN2C[C@@H]3[C@H](N(C)c4cccnn4)CC[C@@H]3C2)cn1 ZINC000257331916 407534071 /nfs/dbraw/zinc/53/40/71/407534071.db2.gz XUVVPJAJUAUGCL-IXDOHACOSA-N 0 3 324.432 1.922 40 0 DDABHN CC(=O)N1CCC(O)(CN2CCC[C@@H]2c2cncc(C)n2)CC1 ZINC000257293087 407535077 /nfs/dbraw/zinc/53/50/77/407535077.db2.gz QOAWYWOICMDTSP-MRXNPFEDSA-N 0 3 318.421 1.295 40 0 DDABHN Cc1nccn1[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2)[C@@H]1O ZINC000952844689 775565837 /nfs/dbraw/zinc/56/58/37/775565837.db2.gz GIRQVUCLLJRTOC-OVYGPGRDSA-N 0 3 315.373 1.007 40 0 biogenic,in-vitro DDABHN NCC(=O)N(C[C@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000079404327 185169072 /nfs/dbraw/zinc/16/90/72/185169072.db2.gz SUPNLPDNTQRDGO-QGZVFWFLSA-N 0 3 301.434 1.991 40 0 DDABHN Cc1cncc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)c1 ZINC000585098120 354806026 /nfs/dbraw/zinc/80/60/26/354806026.db2.gz UIKWSQMJFKIGEG-OAHLLOKOSA-N 0 3 313.405 1.563 40 0 DDABHN CCS(=O)(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 ZINC000585112406 354810554 /nfs/dbraw/zinc/81/05/54/354810554.db2.gz PBRCKFDEEQCLID-CQSZACIVSA-N 0 3 312.439 1.075 40 0 DDABHN Cc1[nH]ncc1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 ZINC000257272622 203001373 /nfs/dbraw/zinc/00/13/73/203001373.db2.gz NDCUMHDZECPUJX-OAHLLOKOSA-N 0 3 301.394 1.753 40 0 DDABHN COc1ccccc1[C@@H]1CNCCN1C(=O)Cn1ccnc1C ZINC000257299394 203023696 /nfs/dbraw/zinc/02/36/96/203023696.db2.gz RPXFBQHCBCYUGK-HNNXBMFYSA-N 0 3 314.389 1.373 40 0 DDABHN Cc1noc(C)c1-c1cccc(C[C@@H]2CCN(C(=O)CN)C2)n1 ZINC000257334325 203055574 /nfs/dbraw/zinc/05/55/74/203055574.db2.gz YFKNNJGUNTZSMI-ZDUSSCGKSA-N 0 3 314.389 1.703 40 0 DDABHN COC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1OC(=O)c1ccccc1)N2C ZINC000000001212 406616335 /nfs/dbraw/zinc/61/63/35/406616335.db2.gz ZPUCINDJVBIVPJ-YJNKXOJESA-N 0 3 303.358 1.868 40 0 biogenic,in-vitro DDABHN COc1ccc(S[C@@H](C)C(=O)NCCN(C)C)cc1OC ZINC000044849312 407029573 /nfs/dbraw/zinc/02/95/73/407029573.db2.gz GJWCBTURYDWTQJ-NSHDSACASA-N 0 3 312.435 1.862 40 0 DDABHN Cc1ccc(N2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)nn1 ZINC000096040598 407225169 /nfs/dbraw/zinc/22/51/69/407225169.db2.gz BOIAQKVOVHKIHR-UXLLHSPISA-N 0 3 302.422 1.865 40 0 DDABHN CCn1nnc2c1CCN(CCN1CCCCC1)[C@@H]2COC ZINC000096045333 407226447 /nfs/dbraw/zinc/22/64/47/407226447.db2.gz YNCNNVDEUOIEAL-OAHLLOKOSA-N 0 3 307.442 1.330 40 0 DDABHN c1cncc(CO[C@@H]2C[C@@H]3CN(Cc4ccncc4)CCN3C2)c1 ZINC000096055039 407229078 /nfs/dbraw/zinc/22/90/78/407229078.db2.gz PZASUWAVVOYLQC-RTBURBONSA-N 0 3 324.428 1.952 40 0 DDABHN CCc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2CC)cc1 ZINC000408708321 418810970 /nfs/dbraw/zinc/81/09/70/418810970.db2.gz XPFFCHZVDAURQG-INIZCTEOSA-N 0 3 317.433 1.466 40 0 DDABHN CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 ZINC000079410137 185169999 /nfs/dbraw/zinc/16/99/99/185169999.db2.gz BQXONZPLDZMMAD-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN CCN(C(=O)CN)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079392910 185168287 /nfs/dbraw/zinc/16/82/87/185168287.db2.gz VYVQYEHUUCOMSO-UHFFFAOYSA-N 0 3 319.405 1.595 40 0 DDABHN C[C@H](N)C(=O)N(C)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393083 185169047 /nfs/dbraw/zinc/16/90/47/185169047.db2.gz VDJGRMUBMCCAKV-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN CCn1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072324832 191123094 /nfs/dbraw/zinc/12/30/94/191123094.db2.gz UQLRBKNISHGGBT-RBSFLKMASA-N 0 3 314.433 1.696 40 0 DDABHN Cc1nn(C)cc1C[N@H+]1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1 ZINC000072336061 191126260 /nfs/dbraw/zinc/12/62/60/191126260.db2.gz DFIMXGCIDZGOCD-DOMZBBRYSA-N 0 3 313.405 1.282 40 0 DDABHN Cc1nn(C)cc1C[N@@H+]1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1 ZINC000072336061 191126262 /nfs/dbraw/zinc/12/62/62/191126262.db2.gz DFIMXGCIDZGOCD-DOMZBBRYSA-N 0 3 313.405 1.282 40 0 DDABHN OCCN1CCC(c2ccnc(Nc3cncnc3)n2)CC1 ZINC000072354960 191129524 /nfs/dbraw/zinc/12/95/24/191129524.db2.gz BWLLDCPFPZVRKI-UHFFFAOYSA-N 0 3 300.366 1.182 40 0 DDABHN Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccncc1 ZINC000006962587 352119342 /nfs/dbraw/zinc/11/93/42/352119342.db2.gz VWCFPEJWFYESCA-JYRVWZFOSA-N 0 3 309.329 1.591 40 0 DDABHN COCCN(CCOC)[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585289685 354825505 /nfs/dbraw/zinc/82/55/05/354825505.db2.gz UYLMIWRQIUGTMQ-RCCFBDPRSA-N 0 3 323.433 1.942 40 0 DDABHN CN(C)C(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cnc[nH]1 ZINC000585291944 354825962 /nfs/dbraw/zinc/82/59/62/354825962.db2.gz TZTGJURYJLJBIW-WMLDXEAASA-N 0 3 320.437 1.790 40 0 DDABHN O=C([C@@H]1CCCO1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161515 193557594 /nfs/dbraw/zinc/55/75/94/193557594.db2.gz KJCFUKVRUJDYNW-XHSDSOJGSA-N 0 3 301.390 1.151 40 0 DDABHN c1ccc(CCn2nnnc2CN2CCN3CCC[C@@H]3C2)cc1 ZINC000020143260 182191549 /nfs/dbraw/zinc/19/15/49/182191549.db2.gz GKZWHTXLTXGQLN-MRXNPFEDSA-N 0 3 312.421 1.196 40 0 DDABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)CC)[C@]2(CN)COC)cc1 ZINC000242463905 257120442 /nfs/dbraw/zinc/12/04/42/257120442.db2.gz DPYHRDDCUSZRRL-OWCLPIDISA-N 0 3 311.447 1.741 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(Cl)c2)[C@@]1(CN)CO ZINC000218413008 257130887 /nfs/dbraw/zinc/13/08/87/257130887.db2.gz GGJUAAZIIXMRGQ-JHJVBQTASA-N 0 3 303.811 1.178 40 0 DDABHN Cc1cc(N2CCN[C@H](C)C2)c(Cl)cc1S(C)(=O)=O ZINC000039320875 407001900 /nfs/dbraw/zinc/00/19/00/407001900.db2.gz SABRZRLYXKXYGS-SNVBAGLBSA-N 0 3 302.827 1.850 40 0 DDABHN Cc1cccc(CN2C[C@@H]3CCN(c4cncnc4)C(=O)[C@H]3C2)n1 ZINC000096249136 407255774 /nfs/dbraw/zinc/25/57/74/407255774.db2.gz YGJCREIEXTYITE-YOEHRIQHSA-N 0 3 323.400 1.665 40 0 DDABHN Cn1cc(N2CC[C@]3(CCN(Cc4ccncc4)C3)C2=O)cn1 ZINC000096050531 407227757 /nfs/dbraw/zinc/22/77/57/407227757.db2.gz JUSZUPAFOSZPHQ-KRWDZBQOSA-N 0 3 311.389 1.444 40 0 DDABHN Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CCN(C)C)o1 ZINC000096056474 407229340 /nfs/dbraw/zinc/22/93/40/407229340.db2.gz UHSLLXIBNCRWOB-HZPDHXFCSA-N 0 3 305.422 1.715 40 0 DDABHN CNC(=O)[C@@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2N1C(C)C ZINC000096054224 407229645 /nfs/dbraw/zinc/22/96/45/407229645.db2.gz OGVGPADSQFNGIG-AEGPPILISA-N 0 3 307.463 1.777 40 0 DDABHN O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccncc3)CC[C@@H]12)C1CC1 ZINC000096185302 407244163 /nfs/dbraw/zinc/24/41/63/407244163.db2.gz CAOMQMVCMAFFHP-ZACQAIPSSA-N 0 3 315.417 1.445 40 0 DDABHN CN(C)C(=O)CN1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096215316 407250690 /nfs/dbraw/zinc/25/06/90/407250690.db2.gz HROQYYJYLPJDIN-GOSISDBHSA-N 0 3 316.449 1.458 40 0 DDABHN CCCCN1CC[C@@H]2OCCN(C(=O)c3ccncc3)[C@H]2C1 ZINC000108532327 407387411 /nfs/dbraw/zinc/38/74/11/407387411.db2.gz KZDLNLWONDIGSC-HOTGVXAUSA-N 0 3 303.406 1.797 40 0 DDABHN CN(C)C[C@]1(O)CCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000257333832 407533877 /nfs/dbraw/zinc/53/38/77/407533877.db2.gz YDGMKTHXDXVOLH-CYBMUJFWSA-N 0 3 318.826 1.027 40 0 DDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2c(F)cccc2F)C1 ZINC000257286810 407534109 /nfs/dbraw/zinc/53/41/09/407534109.db2.gz PNDOMQSZGUULEA-LBPRGKRZSA-N 0 3 311.376 1.417 40 0 DDABHN COCC(=O)NCC[C@@H]1Cn2nccc2CN(C2CCC2)C1 ZINC000247823115 408511423 /nfs/dbraw/zinc/51/14/23/408511423.db2.gz ITPSHWJAFURRFF-ZDUSSCGKSA-N 0 3 306.410 1.020 40 0 DDABHN C[C@@H]1C[C@H](NC(=O)[C@](C)(O)CCc2ccccc2)CCN1C ZINC000330389266 410663247 /nfs/dbraw/zinc/66/32/47/410663247.db2.gz DXIMROQBLROYKM-QGPMSJSTSA-N 0 3 304.434 1.969 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000079410037 277904630 /nfs/dbraw/zinc/90/46/30/277904630.db2.gz FAJVZULETJMUQB-UPJWGTAASA-N 0 3 313.442 1.922 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079412682 185170316 /nfs/dbraw/zinc/17/03/16/185170316.db2.gz BFDWAKAMFAYIKM-JSGCOSHPSA-N 0 3 305.378 1.251 40 0 DDABHN CCN(Cc1ccccc1I)C(=O)CN ZINC000079420825 185170620 /nfs/dbraw/zinc/17/06/20/185170620.db2.gz UUTKTUYFJFIFTC-UHFFFAOYSA-N 0 3 318.158 1.598 40 0 DDABHN Cn1cc(CN2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)cn1 ZINC000306128944 231085298 /nfs/dbraw/zinc/08/52/98/231085298.db2.gz HOZAMRQCIZVJAQ-CVEARBPZSA-N 0 3 320.400 1.908 40 0 DDABHN O=C(OCc1ccccc1)N1CC[C@H](N(CCO)C2CC2)C1 ZINC000079391735 185168494 /nfs/dbraw/zinc/16/84/94/185168494.db2.gz MPLZXPFHZSHZDQ-INIZCTEOSA-N 0 3 304.390 1.854 40 0 DDABHN O=C(C[C@@H]1Cn2cccc2CN(C2CCC2)C1)N1CCOCC1 ZINC000585099250 354806862 /nfs/dbraw/zinc/80/68/62/354806862.db2.gz YTUSMZSDUMNKBV-OAHLLOKOSA-N 0 3 317.433 1.721 40 0 DDABHN Cc1[nH]ncc1CN1CCO[C@H](c2cccc(N(C)C)n2)C1 ZINC000257272621 203001750 /nfs/dbraw/zinc/00/17/50/203001750.db2.gz NDCUMHDZECPUJX-HNNXBMFYSA-N 0 3 301.394 1.753 40 0 DDABHN O=c1[nH]c(C2CCN([C@@H]3COC[C@H]3O)CC2)cc2ccccc21 ZINC000257298385 203024093 /nfs/dbraw/zinc/02/40/93/203024093.db2.gz RLKPRAWXWOIAMP-IAGOWNOFSA-N 0 3 314.385 1.880 40 0 DDABHN Cc1nc([C@H]2CCN(Cc3cnc(C(C)C)nc3)C2)cc(=O)[nH]1 ZINC000019285284 182112024 /nfs/dbraw/zinc/11/20/24/182112024.db2.gz FZURHNPRKAQADR-AWEZNQCLSA-N 0 3 313.405 1.981 40 0 DDABHN CCn1c2ccccc2nc1CN1C[C@H]2C[C@@H](O)CN2C[C@@H]1C ZINC000019524296 182128325 /nfs/dbraw/zinc/12/83/25/182128325.db2.gz UQLRBKNISHGGBT-RRFJBIMHSA-N 0 3 314.433 1.696 40 0 DDABHN CCN(C(=O)c1nc2nc(C)cc(C)n2n1)C1CCN(C)CC1 ZINC000019656565 182134653 /nfs/dbraw/zinc/13/46/53/182134653.db2.gz VKGCPRHDZNHJHS-UHFFFAOYSA-N 0 3 316.409 1.297 40 0 DDABHN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]2(N)CN)cc1 ZINC000242548227 257120338 /nfs/dbraw/zinc/12/03/38/257120338.db2.gz LDZDZSWXYYZRHV-ZACQAIPSSA-N 0 3 316.426 1.591 40 0 DDABHN CCS(=O)(=O)C1(CN)CCN(C(=O)OC(C)(C)C)CC1 ZINC000217931518 257131726 /nfs/dbraw/zinc/13/17/26/257131726.db2.gz KZRMRTAXPLXNBH-UHFFFAOYSA-N 0 3 306.428 1.150 40 0 DDABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 ZINC000223254274 407564626 /nfs/dbraw/zinc/56/46/26/407564626.db2.gz IRIOAENNHLUQDV-LSDHHAIUSA-N 0 3 315.446 1.944 40 0 DDABHN C[C@@H]1Oc2ncc(Br)cc2N(CCN(C)C)C1=O ZINC000005587163 406735791 /nfs/dbraw/zinc/73/57/91/406735791.db2.gz ISLJZNLKJIILNJ-QMMMGPOBSA-N 0 3 314.183 1.520 40 0 DDABHN CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@@H]3C1)OCO5 ZINC000003978341 406720036 /nfs/dbraw/zinc/72/00/36/406720036.db2.gz YGPRSGKVLATIHT-KLWIRTJPSA-N 0 3 301.342 1.187 40 0 in-vitro DDABHN CN(C)CCNC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000036615362 406980814 /nfs/dbraw/zinc/98/08/14/406980814.db2.gz DBPIDVBJGBKGJB-LBPRGKRZSA-N 0 3 313.760 1.650 40 0 DDABHN CN1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 ZINC000096228722 407253653 /nfs/dbraw/zinc/25/36/53/407253653.db2.gz WERSMCXLZVDXSL-MRXNPFEDSA-N 0 3 308.447 1.861 40 0 DDABHN COCCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3)C2)C1 ZINC000096228778 407254263 /nfs/dbraw/zinc/25/42/63/407254263.db2.gz CTSDCDWJFVODGZ-QGZVFWFLSA-N 0 3 322.405 1.481 40 0 DDABHN O=C(NC1CC1)[C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 ZINC000096038885 407224442 /nfs/dbraw/zinc/22/44/42/407224442.db2.gz SPRWTBCDOOIMEC-RRFJBIMHSA-N 0 3 306.431 1.864 40 0 DDABHN O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccncc1)C2 ZINC000096048711 407227428 /nfs/dbraw/zinc/22/74/28/407227428.db2.gz UKLOQESVCHZENA-GOSISDBHSA-N 0 3 323.400 1.891 40 0 DDABHN Cn1cc(N2CC[C@]3(CCN(Cc4cccnc4)C3)C2=O)cn1 ZINC000096050529 407228167 /nfs/dbraw/zinc/22/81/67/407228167.db2.gz VDYZOUXXDIFNRF-KRWDZBQOSA-N 0 3 311.389 1.444 40 0 DDABHN CN(C)C[C@H]1CC[C@]2(COCCN(C(=O)c3ccoc3)C2)O1 ZINC000096063303 407232739 /nfs/dbraw/zinc/23/27/39/407232739.db2.gz DNUBQJUMSMLYRB-ZBFHGGJFSA-N 0 3 308.378 1.231 40 0 DDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(C(=O)c3ccoc3)C2)O1 ZINC000096063300 407232782 /nfs/dbraw/zinc/23/27/82/407232782.db2.gz DNUBQJUMSMLYRB-GOEBONIOSA-N 0 3 308.378 1.231 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1cccnc1 ZINC000096070024 407234190 /nfs/dbraw/zinc/23/41/90/407234190.db2.gz UBQAUMXYFIEEFD-CVEARBPZSA-N 0 3 311.389 1.259 40 0 DDABHN O=C(c1cccnc1)N1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158170 407241851 /nfs/dbraw/zinc/24/18/51/407241851.db2.gz JOSOOLHZKSVOAV-SJLPKXTDSA-N 0 3 315.417 1.799 40 0 DDABHN Cn1cc(CN2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)cn1 ZINC000096161325 407242339 /nfs/dbraw/zinc/24/23/39/407242339.db2.gz FHWOWFDMKGFQDR-KRWDZBQOSA-N 0 3 324.428 1.916 40 0 DDABHN O=C(N1CCCC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161651 407242625 /nfs/dbraw/zinc/24/26/25/407242625.db2.gz YZULGPZGJNZOAX-GASCZTMLSA-N 0 3 300.406 1.661 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@@H](NCc1ccco1)C2 ZINC000096189657 407246994 /nfs/dbraw/zinc/24/69/94/407246994.db2.gz UZXBVKOQISTBGC-CQSZACIVSA-N 0 3 302.374 1.735 40 0 DDABHN Cc1ncoc1C(=O)NCc1nccnc1C1CCN(C)CC1 ZINC000257205314 407493743 /nfs/dbraw/zinc/49/37/43/407493743.db2.gz AYMDKVKXZLFIIW-UHFFFAOYSA-N 0 3 315.377 1.512 40 0 DDABHN CC(=O)N[C@H]1CCN(CCOc2ccc(F)cc2)CC[C@@H]1O ZINC000257215875 407500533 /nfs/dbraw/zinc/50/05/33/407500533.db2.gz CSARCZADSYKGQS-HOTGVXAUSA-N 0 3 310.369 1.166 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cc(C)on2)c1 ZINC000257232425 407506670 /nfs/dbraw/zinc/50/66/70/407506670.db2.gz GKUCTGCYPJRVIB-MRXNPFEDSA-N 0 3 314.389 1.489 40 0 DDABHN c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cs1 ZINC000253588475 407460839 /nfs/dbraw/zinc/46/08/39/407460839.db2.gz FAEGGLWVNGHJFD-CABCVRRESA-N 0 3 316.430 1.876 40 0 DDABHN CN(C)Cc1cnc(CC2CCN(Cc3cc[nH]n3)CC2)cn1 ZINC000257249692 407516098 /nfs/dbraw/zinc/51/60/98/407516098.db2.gz JJJMKAJSINMXAV-UHFFFAOYSA-N 0 3 314.437 1.716 40 0 DDABHN O=C(C1CCCCC1)N1CCn2c(nnc2[C@H]2CCCN2)C1 ZINC000257248777 407516181 /nfs/dbraw/zinc/51/61/81/407516181.db2.gz JFDRTXAFLKWWFF-CYBMUJFWSA-N 0 3 303.410 1.625 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2CCC(F)(F)F)c1 ZINC000257248257 407516271 /nfs/dbraw/zinc/51/62/71/407516271.db2.gz JCVUDEBMMDDPKB-CYBMUJFWSA-N 0 3 315.339 1.945 40 0 DDABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccccc2N)C1 ZINC000038541212 277202881 /nfs/dbraw/zinc/20/28/81/277202881.db2.gz RPSOEEVYCCKIDJ-DOMZBBRYSA-N 0 3 320.437 1.868 40 0 DDABHN CC(C)(C)OC(=O)N1CCCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079391152 185168236 /nfs/dbraw/zinc/16/82/36/185168236.db2.gz NITAIYYWHWBLRV-CYBMUJFWSA-N 0 3 311.426 1.726 40 0 DDABHN Cn1cccc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096110646 353914251 /nfs/dbraw/zinc/91/42/51/353914251.db2.gz GCSJTYIFZMNOGP-HUUCEWRRSA-N 0 3 310.401 1.624 40 0 DDABHN O=C1N(c2ncccn2)C[C@]12CCCN(C[C@H]1CCCO1)C2 ZINC000585099375 354807365 /nfs/dbraw/zinc/80/73/65/354807365.db2.gz HSKNBQARQBMTMN-CZUORRHYSA-N 0 3 302.378 1.084 40 0 DDABHN CC(C)CN1CCOC[C@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585105026 354807489 /nfs/dbraw/zinc/80/74/89/354807489.db2.gz YVKGPYHJZLYRCL-MRXNPFEDSA-N 0 3 304.394 1.188 40 0 DDABHN CN1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 ZINC000585288927 354825222 /nfs/dbraw/zinc/82/52/22/354825222.db2.gz BSVUBFHWGOVQCA-GVDBMIGSSA-N 0 3 308.397 1.734 40 0 DDABHN CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1c[nH]nc1C ZINC000585292062 354826386 /nfs/dbraw/zinc/82/63/86/354826386.db2.gz WPFIPPUMLZFWOB-WMLDXEAASA-N 0 3 320.437 1.756 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NC[C@@H]2CCCO2)c1 ZINC000257279426 203007693 /nfs/dbraw/zinc/00/76/93/203007693.db2.gz OGNQHGKBINWLGW-ZDUSSCGKSA-N 0 3 300.362 1.240 40 0 DDABHN COCCN1CCC(c2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 ZINC000257330313 203053847 /nfs/dbraw/zinc/05/38/47/203053847.db2.gz XNVYPCSIVOGDLQ-LBPRGKRZSA-N 0 3 320.393 1.648 40 0 DDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccsc3)C[C@H]21)N1CCCO1 ZINC000096038647 256552228 /nfs/dbraw/zinc/55/22/28/256552228.db2.gz WBBJDNGCCZGSJB-RBSFLKMASA-N 0 3 322.430 1.606 40 0 DDABHN COc1c2c(c([C@@](C)(N)C(F)F)c3c1CN(C)CC3)OCO2 ZINC000252481622 257106572 /nfs/dbraw/zinc/10/65/72/257106572.db2.gz CPNHRZOXUMBUNK-OAHLLOKOSA-N 0 3 314.332 1.851 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1cccc(F)c1 ZINC000242750650 257120039 /nfs/dbraw/zinc/12/00/39/257120039.db2.gz ZUJZVZIEQXDYDF-MGPQQGTHSA-N 0 3 301.383 1.318 40 0 DDABHN NC[C@H]1CCN(c2cccc(Br)c2)S1(=O)=O ZINC000222542881 407559148 /nfs/dbraw/zinc/55/91/48/407559148.db2.gz ORQYWONAFSSKGJ-SNVBAGLBSA-N 0 3 305.197 1.316 40 0 DDABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 ZINC000223254323 407566421 /nfs/dbraw/zinc/56/64/21/407566421.db2.gz IRIOAENNHLUQDV-HUUCEWRRSA-N 0 3 315.446 1.944 40 0 DDABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@@H]1CCCO1)OCO3 ZINC000013998142 406868793 /nfs/dbraw/zinc/86/87/93/406868793.db2.gz FWTMYSCUMAYHIT-LBPRGKRZSA-N 0 3 302.330 1.525 40 0 DDABHN CN(C)C(=O)N[C@H]1COCCC12CCN(Cc1ccoc1)CC2 ZINC000096218800 407251878 /nfs/dbraw/zinc/25/18/78/407251878.db2.gz TVDNIMWFMRNWGY-HNNXBMFYSA-N 0 3 321.421 1.922 40 0 DDABHN COc1cc(CN2C[C@@H]3CN(C)CCO[C@@H]3C2)cc(OC)c1 ZINC000096219206 407251922 /nfs/dbraw/zinc/25/19/22/407251922.db2.gz GWKILJGUVRNBQO-WMLDXEAASA-N 0 3 306.406 1.466 40 0 DDABHN Cc1nc(N2CCCC2)nc2c1CCN([C@@H]1CCOC1)CC2 ZINC000096254538 407257438 /nfs/dbraw/zinc/25/74/38/407257438.db2.gz AEVZLAFEIPKFOU-CQSZACIVSA-N 0 3 302.422 1.575 40 0 DDABHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C1CCC1)N1CCCC1 ZINC000096041678 407225076 /nfs/dbraw/zinc/22/50/76/407225076.db2.gz UEACRRVRZWPIHW-ZMSDIMECSA-N 0 3 308.422 1.410 40 0 DDABHN Cc1ccc(CN2CC[C@]3(CCN(c4cnn(C)c4)C3=O)C2)o1 ZINC000096050519 407227914 /nfs/dbraw/zinc/22/79/14/407227914.db2.gz GLWHDZBLJCSKSE-KRWDZBQOSA-N 0 3 314.389 1.951 40 0 DDABHN CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)O1 ZINC000096057367 407230963 /nfs/dbraw/zinc/23/09/63/407230963.db2.gz STBAUHFFDXPEAY-OAGGEKHMSA-N 0 3 304.390 1.563 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCO1 ZINC000096057303 407230977 /nfs/dbraw/zinc/23/09/77/407230977.db2.gz FJGDIDWDAHLJOX-OAGGEKHMSA-N 0 3 320.389 1.528 40 0 DDABHN CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000096061138 407231788 /nfs/dbraw/zinc/23/17/88/407231788.db2.gz SNYSWELHLYCJJX-HNNXBMFYSA-N 0 3 303.406 1.683 40 0 DDABHN CN(C)C(=O)N1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096062418 407232618 /nfs/dbraw/zinc/23/26/18/407232618.db2.gz PQHKNOLJUFDZBY-INIZCTEOSA-N 0 3 323.462 1.954 40 0 DDABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1ccsc1)C2 ZINC000096108691 407237434 /nfs/dbraw/zinc/23/74/34/407237434.db2.gz FXFPVMXGBKQHCQ-ZBFHGGJFSA-N 0 3 324.446 1.301 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1cccs1)CC[C@H]2OC ZINC000096108547 407238001 /nfs/dbraw/zinc/23/80/01/407238001.db2.gz RYQNULXWJKGVBH-BFHYXJOUSA-N 0 3 324.446 1.556 40 0 DDABHN c1cncc(CO[C@@H]2C[C@H]3CN(Cc4cccnc4)CCN3C2)c1 ZINC000096183400 407243754 /nfs/dbraw/zinc/24/37/54/407243754.db2.gz QFOMLUPGDZTTDN-RBUKOAKNSA-N 0 3 324.428 1.952 40 0 DDABHN COc1ccc(CN2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 ZINC000107226702 407371100 /nfs/dbraw/zinc/37/11/00/407371100.db2.gz LQKPGVQIWDUWSZ-WBVHZDCISA-N 0 3 314.389 1.893 40 0 DDABHN COCCN1CCC(c2cc(N3CCOC3=O)nc(C)n2)CC1 ZINC000257232530 407509611 /nfs/dbraw/zinc/50/96/11/407509611.db2.gz GLGOPZSYBVWGAO-UHFFFAOYSA-N 0 3 320.393 1.567 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000257227950 407507273 /nfs/dbraw/zinc/50/72/73/407507273.db2.gz FRRWXEKESNLXTI-CQSZACIVSA-N 0 3 316.323 1.844 40 0 DDABHN CN1CCC(NC(=O)CCc2ccc3c(c2)OCCO3)CC1 ZINC000113969539 407532430 /nfs/dbraw/zinc/53/24/30/407532430.db2.gz VERIQTLEQQJIBT-UHFFFAOYSA-N 0 3 304.390 1.601 40 0 DDABHN Cc1cc(C)n(Cc2ccc(C(=O)NCCN(C)C)cc2)n1 ZINC000130304922 407673100 /nfs/dbraw/zinc/67/31/00/407673100.db2.gz MVZDCQLISIEEIY-UHFFFAOYSA-N 0 3 300.406 1.840 40 0 DDABHN CC(C)CCN1C[C@H]2C[C@@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000248237355 408545827 /nfs/dbraw/zinc/54/58/27/408545827.db2.gz CPYPWOWHPRBLOG-BRWVUGGUSA-N 0 3 317.433 1.833 40 0 DDABHN CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CN)C1 ZINC000135443182 275824730 /nfs/dbraw/zinc/82/47/30/275824730.db2.gz XJELTUFOFGNOTB-NSHDSACASA-N 0 3 315.414 1.802 40 0 DDABHN CN(C)CCOCc1nnn2c1CN(Cc1ccoc1)CCC2 ZINC000096058821 282109165 /nfs/dbraw/zinc/10/91/65/282109165.db2.gz NVFHPQWNYRKWRQ-UHFFFAOYSA-N 0 3 319.409 1.355 40 0 DDABHN CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391417 185168080 /nfs/dbraw/zinc/16/80/80/185168080.db2.gz ZAXKZLCOLIOWBP-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN CN1CCC(NC(=O)C2(c3ccccc3)CCOCC2)CC1 ZINC000223382024 539265898 /nfs/dbraw/zinc/26/58/98/539265898.db2.gz GHCMEOJYKAMCMR-UHFFFAOYSA-N 0 3 302.418 1.945 40 0 DDABHN CC(C)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253407362 186308579 /nfs/dbraw/zinc/30/85/79/186308579.db2.gz WBOLDGONTWSASC-MOPGFXCFSA-N 0 3 317.477 1.648 40 0 biogenic,in-vitro DDABHN Cn1cnc2c1C[C@@H](CN1CCCC1)N(C(=O)c1cocn1)C2 ZINC000585094952 354804029 /nfs/dbraw/zinc/80/40/29/354804029.db2.gz WKEMTAMZJLSORM-LBPRGKRZSA-N 0 3 315.377 1.071 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2cn(C)c3ccccc23)CC[C@@H]1O ZINC000585260794 354817750 /nfs/dbraw/zinc/81/77/50/354817750.db2.gz IXNQZOQJROMFHL-WMZOPIPTSA-N 0 3 315.417 1.640 40 0 DDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@H](c2cccc(F)c2)N1 ZINC000022239115 283409585 /nfs/dbraw/zinc/40/95/85/283409585.db2.gz LKWNYGZHPGVRBV-CYBMUJFWSA-N 0 3 309.304 1.823 40 0 DDABHN Cc1ccc(C)c(OCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000061523937 184172347 /nfs/dbraw/zinc/17/23/47/184172347.db2.gz SFEOQKSIPKDSTE-UHFFFAOYSA-N 0 3 319.449 1.436 40 0 DDABHN COC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(Cl)cc1 ZINC000242722732 257120276 /nfs/dbraw/zinc/12/02/76/257120276.db2.gz XSXFOGHGWCUQCY-JHJVBQTASA-N 0 3 303.811 1.442 40 0 DDABHN Cc1ccc(=O)n(CC2(O)CCN(Cc3ccsc3)CC2)n1 ZINC000013226930 406860206 /nfs/dbraw/zinc/86/02/06/406860206.db2.gz ANHYTWIGNCPMHV-UHFFFAOYSA-N 0 3 319.430 1.640 40 0 DDABHN CCN1CC2(CCN(Cc3ccco3)CC2)[C@H](COC)C1=O ZINC000096208382 407250843 /nfs/dbraw/zinc/25/08/43/407250843.db2.gz YFETYNBHTOWDAS-OAHLLOKOSA-N 0 3 306.406 1.987 40 0 DDABHN CCCN1CC[C@]2(CC(C(=O)NCc3cnc(C)cn3)=NO2)C1 ZINC000096225966 407252828 /nfs/dbraw/zinc/25/28/28/407252828.db2.gz ZUHDDTFVLPGGRD-INIZCTEOSA-N 0 3 317.393 1.032 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3cccnc3)C2)C1=O ZINC000096223973 407252997 /nfs/dbraw/zinc/25/29/97/407252997.db2.gz RDJYFRJRSXHBKL-QGZVFWFLSA-N 0 3 303.406 1.543 40 0 DDABHN O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1cncnc1 ZINC000096239207 407255257 /nfs/dbraw/zinc/25/52/57/407255257.db2.gz TVMAALJVRZKYLD-KRWDZBQOSA-N 0 3 309.373 1.501 40 0 DDABHN COCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096038857 407224123 /nfs/dbraw/zinc/22/41/23/407224123.db2.gz YDOOIQPKQUBWIC-GVDBMIGSSA-N 0 3 318.417 1.286 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(C(=O)c1ccco1)C2 ZINC000096062316 407232730 /nfs/dbraw/zinc/23/27/30/407232730.db2.gz NPVAICTUNDHIDN-MRXNPFEDSA-N 0 3 308.378 1.091 40 0 DDABHN COCCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1 ZINC000096080905 407235382 /nfs/dbraw/zinc/23/53/82/407235382.db2.gz FYLLEDSJVSLJJT-HUUCEWRRSA-N 0 3 306.381 1.752 40 0 DDABHN O=C(c1cscn1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158131 407241404 /nfs/dbraw/zinc/24/14/04/407241404.db2.gz GBMATWFBSRUGJP-CJNGLKHVSA-N 0 3 321.446 1.860 40 0 DDABHN CN1CC[C@@]2(C1)COCCN(C(=O)NCc1ccccc1)C2 ZINC000096201968 407248658 /nfs/dbraw/zinc/24/86/58/407248658.db2.gz PYXCPGHTOWINCX-KRWDZBQOSA-N 0 3 303.406 1.550 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1cccnc1)C2 ZINC000096201979 407248761 /nfs/dbraw/zinc/24/87/61/407248761.db2.gz MSTNWRWLENVGAX-QGZVFWFLSA-N 0 3 305.422 1.252 40 0 DDABHN CC(C)c1ccc(C(=O)N2C[C@@H](O)[C@H](N3CCCC3)C2)c(=O)[nH]1 ZINC000257257968 407523782 /nfs/dbraw/zinc/52/37/82/407523782.db2.gz KRVCXKPXCRYFCM-HUUCEWRRSA-N 0 3 319.405 1.192 40 0 DDABHN CN(C)CCNc1nc(NCc2cccs2)cc(C2CC2)n1 ZINC000328983630 410038165 /nfs/dbraw/zinc/03/81/65/410038165.db2.gz HHPHOOWXHHHCDR-UHFFFAOYSA-N 0 3 317.462 1.845 40 0 DDABHN Cn1ccc2cc(C[C@H]3COCCN(C(=O)CN)C3)ccc21 ZINC000257273206 294362429 /nfs/dbraw/zinc/36/24/29/294362429.db2.gz NFRGURLXYJVLLN-CQSZACIVSA-N 0 3 301.390 1.155 40 0 DDABHN CN1CCC[C@H]1c1cccc(CCC(=O)N2CCOCC2)n1 ZINC000072360437 191132101 /nfs/dbraw/zinc/13/21/01/191132101.db2.gz ZQTFDOSZMIJPKY-INIZCTEOSA-N 0 3 303.406 1.640 40 0 DDABHN CC1(C)C[C@@H]2CN(C(=O)[C@@H](N)Cc3ccc(O)cc3)CC[C@@H]2O1 ZINC000585285613 354824221 /nfs/dbraw/zinc/82/42/21/354824221.db2.gz PNCWVHVHRBBJNP-KBMXLJTQSA-N 0 3 318.417 1.678 40 0 DDABHN CN(C)C/C=C/C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O ZINC000585290137 354824836 /nfs/dbraw/zinc/82/48/36/354824836.db2.gz SZHOYOYHLYYWRP-ZNSMELHXSA-N 0 3 318.417 1.581 40 0 DDABHN O=c1cc(C[C@@H]2COCC[N@H+](CC3CCOCC3)C2)nc[n-]1 ZINC000257298111 203022786 /nfs/dbraw/zinc/02/27/86/203022786.db2.gz RKFBRQMWXUGBBB-AWEZNQCLSA-N 0 3 307.394 1.100 40 0 DDABHN O=c1cc(C[C@@H]2COCC[N@@H+](CC3CCOCC3)C2)nc[n-]1 ZINC000257298111 203022790 /nfs/dbraw/zinc/02/27/90/203022790.db2.gz RKFBRQMWXUGBBB-AWEZNQCLSA-N 0 3 307.394 1.100 40 0 DDABHN CN(C)Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)cc1 ZINC000257298873 203023276 /nfs/dbraw/zinc/02/32/76/203023276.db2.gz RNPKWOZWSBIJDJ-BZUAXINKSA-N 0 3 306.406 1.142 40 0 DDABHN CN(C)Cc1cnc([C@@H]2CN(CCC(F)(F)F)CCO2)[nH]1 ZINC000257303078 203028591 /nfs/dbraw/zinc/02/85/91/203028591.db2.gz SFRFULVWDVZTIA-NSHDSACASA-N 0 3 306.332 1.797 40 0 DDABHN Cc1c(C(=O)N2CC[C@](O)(CN(C)C)C2)c2ccccc2n1C ZINC000257294053 203019871 /nfs/dbraw/zinc/01/98/71/203019871.db2.gz QSGDXUXRFGGVNY-SFHVURJKSA-N 0 3 315.417 1.625 40 0 DDABHN Cc1nc(C)n([C@H](C)CC(=O)N(C)CCN2CCCCC2)n1 ZINC000019657150 182135138 /nfs/dbraw/zinc/13/51/38/182135138.db2.gz UJAOCBOBRZLFHR-CYBMUJFWSA-N 0 3 307.442 1.790 40 0 DDABHN CN(C)CCNC(=O)c1cc(-c2ccncc2)c2cnccc2n1 ZINC000019582907 182132276 /nfs/dbraw/zinc/13/22/76/182132276.db2.gz AATIXQCHUGBOAS-UHFFFAOYSA-N 0 3 321.384 1.983 40 0 DDABHN Cc1cc(C)nc(NCCC(=O)N(C)CCN2CCCCC2)n1 ZINC000019656370 182134053 /nfs/dbraw/zinc/13/40/53/182134053.db2.gz ZEYKGJNXEDACAC-UHFFFAOYSA-N 0 3 319.453 1.840 40 0 DDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Nc2cccnc2)[C@H]1O ZINC000514289701 257215175 /nfs/dbraw/zinc/21/51/75/257215175.db2.gz YRPZLQCTCSDNIP-SOUVJXGZSA-N 0 3 322.409 1.063 40 0 biogenic,in-vitro DDABHN O=C(CO)NCCCOc1cccc(CN2CCCCC2)c1 ZINC000001541892 406671857 /nfs/dbraw/zinc/67/18/57/406671857.db2.gz BCCREUFCSIMJFS-UHFFFAOYSA-N 0 3 306.406 1.550 40 0 in-man DDABHN C1CN([C@@H]2CC[C@H]3S[C@@H]2CC[C@@H]3N2CCOCC2)CCO1 ZINC000015319992 406880004 /nfs/dbraw/zinc/88/00/04/406880004.db2.gz AISSRCQTANXUHV-QKPAOTATSA-N 0 3 312.479 1.446 40 0 DDABHN CC(C)CN1CC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 ZINC000096226042 407252479 /nfs/dbraw/zinc/25/24/79/407252479.db2.gz JCUWPFFKYNDFSA-INIZCTEOSA-N 0 3 302.378 1.897 40 0 DDABHN CN(C)[C@@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1 ZINC000096261359 407258122 /nfs/dbraw/zinc/25/81/22/407258122.db2.gz OSALPMZPIDGXKF-CVEARBPZSA-N 0 3 308.447 1.726 40 0 DDABHN Cn1cnc2c1CCN(C(=O)CC1CC1)[C@H]2CN1CCCC1 ZINC000096259800 407258286 /nfs/dbraw/zinc/25/82/86/407258286.db2.gz WRUPRIVEYGQWLP-HNNXBMFYSA-N 0 3 302.422 1.742 40 0 DDABHN c1cncc(CO[C@@H]2C[C@H]3CN(Cc4ccncc4)CCN3C2)c1 ZINC000096055041 407229155 /nfs/dbraw/zinc/22/91/55/407229155.db2.gz PZASUWAVVOYLQC-RBUKOAKNSA-N 0 3 324.428 1.952 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccncc1 ZINC000096056479 407231003 /nfs/dbraw/zinc/23/10/03/407231003.db2.gz NQYFJMYPJZEDLX-HZPDHXFCSA-N 0 3 302.422 1.209 40 0 DDABHN COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccccc3)CC[C@H]12 ZINC000096065548 407233261 /nfs/dbraw/zinc/23/32/61/407233261.db2.gz NKSUKSTZMZGGFV-BRWVUGGUSA-N 0 3 302.418 1.907 40 0 DDABHN O=C([C@@H]1CO[C@@H]2CCN(Cc3ccco3)C[C@@H]2C1)N1CCCO1 ZINC000096083213 407235981 /nfs/dbraw/zinc/23/59/81/407235981.db2.gz AOVIWRQFLVRHOJ-OFQRWUPVSA-N 0 3 320.389 1.671 40 0 DDABHN CC(C)N(C)Cc1cnc2n1CCN(CC1CCOCC1)C2 ZINC000096201075 407248179 /nfs/dbraw/zinc/24/81/79/407248179.db2.gz ZODYWCGHIZOUGC-UHFFFAOYSA-N 0 3 306.454 1.966 40 0 DDABHN Cc1ccc(CN2CC3(C2)CCN(CC(=O)N(C)C)C3)s1 ZINC000096202648 407249911 /nfs/dbraw/zinc/24/99/11/407249911.db2.gz WOHNTARRTOKBIX-UHFFFAOYSA-N 0 3 307.463 1.652 40 0 DDABHN COc1ccc(CN2C(=O)CO[C@H]3CN(C4CCC4)C[C@H]32)cc1 ZINC000067897212 407289280 /nfs/dbraw/zinc/28/92/80/407289280.db2.gz UDLZABXOIDPRED-SJORKVTESA-N 0 3 316.401 1.659 40 0 biogenic,in-vitro DDABHN O=C(NC1CC2(C1)CCN(Cc1ccccn1)C2)c1cnccn1 ZINC000108528359 407387760 /nfs/dbraw/zinc/38/77/60/407387760.db2.gz OETPREBAERFEIN-UHFFFAOYSA-N 0 3 323.400 1.656 40 0 DDABHN CN[C@H]1[C@H](NC(=O)OC(C)(C)C)C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257237776 407509746 /nfs/dbraw/zinc/50/97/46/407509746.db2.gz HIDHZVSQXSQKSG-KBXIAJHMSA-N 0 3 322.405 1.680 40 0 DDABHN CC(=O)NCc1cncc([C@@H]2CCCN2C2CCN(C)CC2)n1 ZINC000257233717 407510203 /nfs/dbraw/zinc/51/02/03/407510203.db2.gz GQKJMQNWZYUWKM-KRWDZBQOSA-N 0 3 317.437 1.344 40 0 DDABHN Cc1cnc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3C)cn1 ZINC000257247636 407517272 /nfs/dbraw/zinc/51/72/72/407517272.db2.gz IZWPWEWFVGDMDJ-FAYQHZLMSA-N 0 3 300.406 1.872 40 0 DDABHN Cc1ccc(N2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)nn1 ZINC000247930015 408516768 /nfs/dbraw/zinc/51/67/68/408516768.db2.gz QKBXDFSSZSDOGK-HOTGVXAUSA-N 0 3 302.422 1.865 40 0 DDABHN CC(C)CN1CCO[C@@H]2CCN(C(=O)c3csnn3)CC[C@H]21 ZINC000248272014 408544888 /nfs/dbraw/zinc/54/48/88/408544888.db2.gz ZVPMVFAQJZGERK-ZIAGYGMSSA-N 0 3 324.450 1.500 40 0 DDABHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079393065 278224197 /nfs/dbraw/zinc/22/41/97/278224197.db2.gz YCCBAQBDDAFRQG-AEGPPILISA-N 0 3 319.405 1.687 40 0 DDABHN CCS(=O)(=O)N[C@H]1CCO[C@]2(CCN(C3CCC3)C2)C1 ZINC000096220405 280028279 /nfs/dbraw/zinc/02/82/79/280028279.db2.gz WGBTXRGILPSHCO-GXTWGEPZSA-N 0 3 302.440 1.102 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cscn2)[C@H]1Cc1cccnc1 ZINC000096070022 289316897 /nfs/dbraw/zinc/31/68/97/289316897.db2.gz LLTHTSBQCFUKFH-CABCVRRESA-N 0 3 316.430 1.926 40 0 DDABHN CN1CCC(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000074707368 185011006 /nfs/dbraw/zinc/01/10/06/185011006.db2.gz WUUCJJHCYZRVGZ-UHFFFAOYSA-N 0 3 301.434 1.673 40 0 DDABHN CC(C)N(C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391284 185167985 /nfs/dbraw/zinc/16/79/85/185167985.db2.gz BVGLIYXLEXRKAH-STQMWFEESA-N 0 3 313.442 1.970 40 0 DDABHN CN(C(=O)CN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392854 185168648 /nfs/dbraw/zinc/16/86/48/185168648.db2.gz GRZDHQVUMDTAHC-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN COc1ccc([C@@H]2CNCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC000257312519 203035998 /nfs/dbraw/zinc/03/59/98/203035998.db2.gz UOIPSCZBQRNIRR-HNNXBMFYSA-N 0 3 300.362 1.134 40 0 DDABHN COc1ccc([C@H]2CNCCN2C(=O)Cc2c[nH]cn2)cc1 ZINC000257312520 203037080 /nfs/dbraw/zinc/03/70/80/203037080.db2.gz UOIPSCZBQRNIRR-OAHLLOKOSA-N 0 3 300.362 1.134 40 0 DDABHN CC(=O)N1CC2(C[C@]1(C)CO)CCN(Cc1cccnc1)CC2 ZINC000257316016 203040807 /nfs/dbraw/zinc/04/08/07/203040807.db2.gz VDTMVZYONLFLGV-QGZVFWFLSA-N 0 3 317.433 1.667 40 0 DDABHN Cc1ncc(-c2nccnc2C[C@@H]2CCCN(CCO)C2)n1C ZINC000257338375 203061269 /nfs/dbraw/zinc/06/12/69/203061269.db2.gz YXCCOPCCVJKIOF-AWEZNQCLSA-N 0 3 315.421 1.432 40 0 DDABHN NCC1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000218035844 257131692 /nfs/dbraw/zinc/13/16/92/257131692.db2.gz BFJXUQYNYILNKN-JKSUJKDBSA-N 0 3 316.426 1.530 40 0 DDABHN CC[C@@H](CO)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000008326276 406784902 /nfs/dbraw/zinc/78/49/02/406784902.db2.gz HCHXPHSHKPAHQC-JTQLQIEISA-N 0 3 316.785 1.073 40 0 DDABHN C1CN([C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3N2CCOCC2)CCO1 ZINC000015319995 406879729 /nfs/dbraw/zinc/87/97/29/406879729.db2.gz AISSRCQTANXUHV-CAOSSQGBSA-N 0 3 312.479 1.446 40 0 DDABHN O=C1N(Cc2ccccn2)C[C@H]2CN(C3CCOCC3)CCN12 ZINC000077266599 406982352 /nfs/dbraw/zinc/98/23/52/406982352.db2.gz BMMFFQLHZBSYQK-MRXNPFEDSA-N 0 3 316.405 1.182 40 0 biogenic,in-vitro DDABHN COc1cccc(CN[C@@H]2[C@@H](c3cccnc3)C[C@@H](O)[C@H]2O)c1 ZINC000077261938 406982457 /nfs/dbraw/zinc/98/24/57/406982457.db2.gz GVBMGUZDEPATPP-BRSBDYLESA-N 0 3 314.385 1.458 40 0 biogenic,in-vitro DDABHN c1cncc(N2CCOCC3(CCN([C@@H]4CCOC4)CC3)C2)c1 ZINC000096239971 407254860 /nfs/dbraw/zinc/25/48/60/407254860.db2.gz AYZQYSRWEYAURM-QGZVFWFLSA-N 0 3 317.433 1.789 40 0 DDABHN CC(C)CNc1nc2c(cc1C(=O)N(C)C)CCN(C)CC2 ZINC000096260516 407258157 /nfs/dbraw/zinc/25/81/57/407258157.db2.gz SAZXYXMBQCQRIL-UHFFFAOYSA-N 0 3 304.438 1.882 40 0 DDABHN CCN1CCN(C)C2(CCN(Cc3cccs3)CC2)C1=O ZINC000096050039 407228595 /nfs/dbraw/zinc/22/85/95/407228595.db2.gz GHEZXKMUMGUZSC-UHFFFAOYSA-N 0 3 307.463 1.877 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3ccc(C)s3)C[C@@H]2C1 ZINC000096107976 407237886 /nfs/dbraw/zinc/23/78/86/407237886.db2.gz KDRLOTDBFNFPJK-GOEBONIOSA-N 0 3 310.463 1.836 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C3CC3)on1)CC[C@H]2OC ZINC000096108540 407237902 /nfs/dbraw/zinc/23/79/02/407237902.db2.gz FOEWXEVDJMAWBB-NWANDNLSSA-N 0 3 319.405 1.733 40 0 DDABHN COCCN1CCC2(CC1)CN(Cc1ccccn1)CCO2 ZINC000096158845 407241339 /nfs/dbraw/zinc/24/13/39/407241339.db2.gz QNDRTGCFNHFSMP-UHFFFAOYSA-N 0 3 305.422 1.395 40 0 DDABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 ZINC000096158171 407241798 /nfs/dbraw/zinc/24/17/98/407241798.db2.gz JOSOOLHZKSVOAV-AEFFLSMTSA-N 0 3 315.417 1.799 40 0 DDABHN COCCN1CCC2(CC1)CN(C(=O)c1ccco1)CCO2 ZINC000096158906 407241855 /nfs/dbraw/zinc/24/18/55/407241855.db2.gz PPCHVIFFNIPNPJ-UHFFFAOYSA-N 0 3 308.378 1.233 40 0 DDABHN Cc1cccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)n1 ZINC000096184387 407244583 /nfs/dbraw/zinc/24/45/83/407244583.db2.gz PAPWZUQAZPXQJZ-CVEARBPZSA-N 0 3 302.422 1.127 40 0 DDABHN COCCNC(=O)C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1 ZINC000096208171 407250449 /nfs/dbraw/zinc/25/04/49/407250449.db2.gz LZYHHXKSEWXHJI-RRFJBIMHSA-N 0 3 324.446 1.490 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC000100177754 407307340 /nfs/dbraw/zinc/30/73/40/407307340.db2.gz VITPGSWQMNLWRH-XQQFMLRXSA-N 0 3 313.442 1.922 40 0 DDABHN COCCNC(=O)[C@@H]1CCC[C@]12CCN(Cc1cncn1C)C2 ZINC000108535368 407387695 /nfs/dbraw/zinc/38/76/95/407387695.db2.gz VRUSZLGBSSXDCS-DOTOQJQBSA-N 0 3 320.437 1.175 40 0 DDABHN CCN(Cc1cccnc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257235165 407509700 /nfs/dbraw/zinc/50/97/00/407509700.db2.gz GWSHINGKKWXNIK-MRXNPFEDSA-N 0 3 314.393 1.252 40 0 DDABHN COc1ccc(CN2CCN(C)C[C@@H](C(=O)N(C)C)C2)c(F)c1 ZINC000257217491 407501002 /nfs/dbraw/zinc/50/10/02/407501002.db2.gz CZFAMXBNJZWSEL-CQSZACIVSA-N 0 3 323.412 1.286 40 0 DDABHN Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)CN)n1 ZINC000257223510 407503218 /nfs/dbraw/zinc/50/32/18/407503218.db2.gz DXQXMGISKYISHL-LBPRGKRZSA-N 0 3 301.350 1.371 40 0 DDABHN COCCN1CCC(Cc2cc(-c3cc[nH]n3)ncn2)CC1 ZINC000257261891 407526721 /nfs/dbraw/zinc/52/67/21/407526721.db2.gz LJFLMOUVPPRXGD-UHFFFAOYSA-N 0 3 301.394 1.768 40 0 DDABHN COC[C@H]1CCN(C)C2(CN(Cc3cccnc3OC)C2)C1 ZINC000248135001 408537335 /nfs/dbraw/zinc/53/73/35/408537335.db2.gz OFWGCWBGSPVHBH-AWEZNQCLSA-N 0 3 305.422 1.633 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccncc2)[C@H]1Cc1cnn(C)c1 ZINC000096061716 289317215 /nfs/dbraw/zinc/31/72/15/289317215.db2.gz WDJZRIAESSTQNV-CVEARBPZSA-N 0 3 313.405 1.203 40 0 DDABHN C[C@H](N)C(=O)N(C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391333 185167966 /nfs/dbraw/zinc/16/79/66/185167966.db2.gz OTJJLGJZYUAPBM-RYUDHWBXSA-N 0 3 311.426 1.582 40 0 DDABHN CCN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392893 185168561 /nfs/dbraw/zinc/16/85/61/185168561.db2.gz LNLLRHQRKWFQOM-HNNXBMFYSA-N 0 3 319.405 1.452 40 0 DDABHN CCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392889 185168597 /nfs/dbraw/zinc/16/85/97/185168597.db2.gz WVYJDZZKXKNZGU-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN C[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079393044 185169024 /nfs/dbraw/zinc/16/90/24/185169024.db2.gz VUEOHMJRRSBACT-DZGCQCFKSA-N 0 3 319.405 1.641 40 0 DDABHN Cc1ccc(C(=O)N2CCN3[C@H](CN(C)CC3(C)C)C2)cc1 ZINC000253406932 186308087 /nfs/dbraw/zinc/30/80/87/186308087.db2.gz VGXMFIVUSIYDTF-MRXNPFEDSA-N 0 3 301.434 1.845 40 0 biogenic,in-vitro DDABHN CC(=O)N1CCC(N2CC[C@@H](c3nc(C)cc(C)n3)C2)CC1 ZINC000072386064 191144808 /nfs/dbraw/zinc/14/48/08/191144808.db2.gz UKDCNGMECFDUCJ-OAHLLOKOSA-N 0 3 302.422 1.894 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000004497847 181116012 /nfs/dbraw/zinc/11/60/12/181116012.db2.gz JOMCDZRNPJSYQF-ZDUSSCGKSA-N 0 3 305.378 1.234 40 0 DDABHN O[C@]1(COc2cc(F)cc(F)c2)COCCN(C2CCC2)C1 ZINC000585283730 354823215 /nfs/dbraw/zinc/82/32/15/354823215.db2.gz UCZCJELLRINRLI-INIZCTEOSA-N 0 3 313.344 1.959 40 0 DDABHN CC1(c2ncc(C(N)=O)s2)CCN(C2CCOCC2)CC1 ZINC000257336506 203057071 /nfs/dbraw/zinc/05/70/71/203057071.db2.gz YOTHSMUBLZRNOF-UHFFFAOYSA-N 0 3 309.435 1.775 40 0 DDABHN COCCN1CCC[C@@H](Cc2cnc(-c3ccnn3C)cn2)C1 ZINC000257316071 203041722 /nfs/dbraw/zinc/04/17/22/203041722.db2.gz VDZLSHSLMPRKQG-AWEZNQCLSA-N 0 3 315.421 1.778 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1cnn(C)c1 ZINC000096200905 193577023 /nfs/dbraw/zinc/57/70/23/193577023.db2.gz IGSATIAMYSFGSI-CABCVRRESA-N 0 3 318.446 1.869 40 0 DDABHN O=C1CCCN1C[C@@H]1Cn2nccc2CN(C2CCCC2)C1 ZINC000248008317 296319707 /nfs/dbraw/zinc/31/97/07/296319707.db2.gz UVUKUGIFZNLOKG-AWEZNQCLSA-N 0 3 302.422 1.880 40 0 DDABHN O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1NCc1cccnc1 ZINC000036739941 406982598 /nfs/dbraw/zinc/98/25/98/406982598.db2.gz LXRYLFWAVMYSOU-QZTJIDSGSA-N 0 3 315.392 1.946 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@]12CCCN(C(=O)CC1CC1)CC2 ZINC000096217744 407251811 /nfs/dbraw/zinc/25/18/11/407251811.db2.gz JHBDCKZYHUVAAY-GOSISDBHSA-N 0 3 321.465 1.722 40 0 DDABHN Cc1ccc(CN2CCC3(CC2)C(=O)NCCN3CC2CC2)o1 ZINC000096230189 407253712 /nfs/dbraw/zinc/25/37/12/407253712.db2.gz OYCUNXQLKJMDOM-UHFFFAOYSA-N 0 3 317.433 1.764 40 0 DDABHN c1cncc(N2CCOCC3(CCN([C@H]4CCOC4)CC3)C2)c1 ZINC000096239972 407255176 /nfs/dbraw/zinc/25/51/76/407255176.db2.gz AYZQYSRWEYAURM-KRWDZBQOSA-N 0 3 317.433 1.789 40 0 DDABHN COCCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2C)C1 ZINC000096419276 407263279 /nfs/dbraw/zinc/26/32/79/407263279.db2.gz KACHNQXAZBXJQJ-OIISXLGYSA-N 0 3 302.418 1.935 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053755 407228577 /nfs/dbraw/zinc/22/85/77/407228577.db2.gz ZMNSSYQOKAJHCG-CALCHBBNSA-N 0 3 308.385 1.681 40 0 DDABHN Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)o1 ZINC000096052282 407228626 /nfs/dbraw/zinc/22/86/26/407228626.db2.gz KTIYUUNGQLRBBI-IAGOWNOFSA-N 0 3 308.422 1.900 40 0 DDABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccccn2)N1Cc1ccncc1 ZINC000096055683 407229542 /nfs/dbraw/zinc/22/95/42/407229542.db2.gz LGBZJUNWKANXQG-DLBZAZTESA-N 0 3 308.385 1.852 40 0 DDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccoc1)C2 ZINC000096064878 407233357 /nfs/dbraw/zinc/23/33/57/407233357.db2.gz MNXXDDKGNGUIRY-GDBMZVCRSA-N 0 3 306.362 1.425 40 0 DDABHN Cc1cccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)c1 ZINC000096070351 407234116 /nfs/dbraw/zinc/23/41/16/407234116.db2.gz FNWYZIKYHRWAAK-INIZCTEOSA-N 0 3 324.446 1.338 40 0 DDABHN Cc1noc(C)c1CN1C[C@@H]2C(=O)N(c3ccoc3)C[C@@H]2C1 ZINC000096080735 407235319 /nfs/dbraw/zinc/23/53/19/407235319.db2.gz CTTRDNLKFCYYDO-WFASDCNBSA-N 0 3 301.346 1.979 40 0 DDABHN O=C(Cc1ccccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161498 407242655 /nfs/dbraw/zinc/24/26/55/407242655.db2.gz ZFBHGCQJEXSTQH-CALCHBBNSA-N 0 3 322.412 1.610 40 0 DDABHN O=C(c1cccnc1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161589 407242728 /nfs/dbraw/zinc/24/27/28/407242728.db2.gz HGORGSCWPKZNPD-IYBDPMFKSA-N 0 3 308.385 1.681 40 0 DDABHN CC(C)N(C)[C@@H]1CCN(S(C)(=O)=O)[C@H]1Cc1ccncc1 ZINC000096201017 407248477 /nfs/dbraw/zinc/24/84/77/407248477.db2.gz LGWWPAJFYMAASO-CABCVRRESA-N 0 3 311.451 1.367 40 0 DDABHN COC(=O)[C@@H]1C[C@@H](N2CCC(c3nc(C)cs3)CC2)[C@@H](O)C1 ZINC000096456386 407270215 /nfs/dbraw/zinc/27/02/15/407270215.db2.gz NUULIFSCPNKZOH-MCIONIFRSA-N 0 3 324.446 1.943 40 0 DDABHN COCCN1CC[C@H](Cc2cnc(-c3cnn(C)c3)cn2)C1 ZINC000257263965 407527177 /nfs/dbraw/zinc/52/71/77/407527177.db2.gz LSGZFNQCEIUYAK-CYBMUJFWSA-N 0 3 301.394 1.388 40 0 DDABHN COC[C@@H]1CCN(C)C2(CN(Cc3ccc4c(c3)OCO4)C2)C1 ZINC000248093895 408533150 /nfs/dbraw/zinc/53/31/50/408533150.db2.gz CSALAQSYBVTRDT-OAHLLOKOSA-N 0 3 318.417 1.958 40 0 DDABHN COc1cccc(C(=O)N2Cc3cncn3[C@H](CN(C)C)C2)c1 ZINC000248138382 408537532 /nfs/dbraw/zinc/53/75/32/408537532.db2.gz SLRPQCVBMPYKGQ-OAHLLOKOSA-N 0 3 314.389 1.650 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C ZINC000339696641 410393106 /nfs/dbraw/zinc/39/31/06/410393106.db2.gz MMDWTSCELFCTDB-OAHLLOKOSA-N 0 3 303.406 1.212 40 0 DDABHN CC(C)N(C(=O)CN)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079392940 279274661 /nfs/dbraw/zinc/27/46/61/279274661.db2.gz GSTONUDYUSYSHC-OAHLLOKOSA-N 0 3 319.405 1.593 40 0 DDABHN Cn1cc(CN2C[C@@H]3c4ncc(-c5ccncc5)n4C[C@@H]3C2)cn1 ZINC000306128945 231086046 /nfs/dbraw/zinc/08/60/46/231086046.db2.gz HOZAMRQCIZVJAQ-HOTGVXAUSA-N 0 3 320.400 1.908 40 0 DDABHN C[C@H](N)C(=O)NC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393041 185168894 /nfs/dbraw/zinc/16/88/94/185168894.db2.gz IUZHYJCOPAMWBY-LBPRGKRZSA-N 0 3 305.378 1.251 40 0 DDABHN CC(C)N1CCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000072379404 191141813 /nfs/dbraw/zinc/14/18/13/191141813.db2.gz IWZSIXVDLKZNNS-CYBMUJFWSA-N 0 3 301.394 1.976 40 0 DDABHN Fc1cnc(N2CCC[C@]3(CCN([C@H]4CCOC4)C3)C2)nc1 ZINC000107192115 283033872 /nfs/dbraw/zinc/03/38/72/283033872.db2.gz HPCIPRYVNUJZCO-GOEBONIOSA-N 0 3 306.385 1.697 40 0 DDABHN CN(C)CCNC(=O)/C(=C/c1ccc[nH]1)NC(=O)c1ccco1 ZINC000004984179 181184508 /nfs/dbraw/zinc/18/45/08/181184508.db2.gz NSCYDYYKMNWRKN-QBFSEMIESA-N 0 3 316.361 1.056 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccco1)CC[C@@H]2OC ZINC000096209605 193582660 /nfs/dbraw/zinc/58/26/60/193582660.db2.gz QZFKJZPGTMLBBX-XHSDSOJGSA-N 0 3 322.405 1.016 40 0 DDABHN Cc1[nH+]ccn1CCNC(=O)c1[n-]nc2c1COc1ccccc1-2 ZINC000019656607 182134087 /nfs/dbraw/zinc/13/40/87/182134087.db2.gz XNMJCPRPBGZNCX-UHFFFAOYSA-N 0 3 323.356 1.904 40 0 DDABHN Cc1cc2cc(CNCCN3CCOCC3)c(=O)[nH]c2cc1C ZINC000022459631 182321970 /nfs/dbraw/zinc/32/19/70/182321970.db2.gz HVFXWYVNWGUWTB-UHFFFAOYSA-N 0 3 315.417 1.567 40 0 DDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)CC(C)(C)C)[C@H]2O)CC1 ZINC000514289113 257216129 /nfs/dbraw/zinc/21/61/29/257216129.db2.gz OVXKRGFYDWTILG-OFQRWUPVSA-N 0 3 312.454 1.399 40 0 biogenic,in-vitro DDABHN Cc1cc(NC(=S)NCCN(C)C)ccc1N1CCCC1=O ZINC000010951350 406826132 /nfs/dbraw/zinc/82/61/32/406826132.db2.gz WZPSQCQZJLTSHU-UHFFFAOYSA-N 0 3 320.462 1.970 40 0 DDABHN CN(C)CCN(C)C(=O)Cc1csc(-c2ccccn2)n1 ZINC000012360921 406843113 /nfs/dbraw/zinc/84/31/13/406843113.db2.gz KYUNCEKOSFPGRQ-UHFFFAOYSA-N 0 3 304.419 1.768 40 0 DDABHN CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N32 ZINC000050353391 407130136 /nfs/dbraw/zinc/13/01/36/407130136.db2.gz BUANTXPATFEOJA-IKOXMDCHSA-N 0 3 323.389 1.313 40 0 DDABHN CCOC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@@H]1N32 ZINC000050353391 407130138 /nfs/dbraw/zinc/13/01/38/407130138.db2.gz BUANTXPATFEOJA-IKOXMDCHSA-N 0 3 323.389 1.313 40 0 DDABHN Cc1cccc(CN2CCC[C@@H]3CN(CC(=O)N(C)C)C[C@@H]32)n1 ZINC000096246244 407255389 /nfs/dbraw/zinc/25/53/89/407255389.db2.gz GMDVEZWTWOCYOE-WBVHZDCISA-N 0 3 316.449 1.374 40 0 DDABHN CCN1CCN(C)C2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000096050043 407227857 /nfs/dbraw/zinc/22/78/57/407227857.db2.gz JFRZQZTVRUPGFW-UHFFFAOYSA-N 0 3 319.424 1.954 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@@H](CC(=O)NC4CC4)[C@@H]3C2)o1 ZINC000096057279 407230510 /nfs/dbraw/zinc/23/05/10/407230510.db2.gz BQPUTGJDDUIIPK-CPUCHLNUSA-N 0 3 318.417 1.951 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCC1 ZINC000096057206 407230544 /nfs/dbraw/zinc/23/05/44/407230544.db2.gz SHBYNRZCFVEZHV-ZACQAIPSSA-N 0 3 318.417 1.987 40 0 DDABHN CN(C)C[C@@H]1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]12 ZINC000096065609 407232791 /nfs/dbraw/zinc/23/27/91/407232791.db2.gz FQQMSRVBZLSADX-BPUTZDHNSA-N 0 3 324.446 1.274 40 0 DDABHN Cc1noc(C)c1CN1CCOCC12CCN(C[C@H](C)O)CC2 ZINC000096074670 407235220 /nfs/dbraw/zinc/23/52/20/407235220.db2.gz SGYKLHSLZZJWPX-ZDUSSCGKSA-N 0 3 323.437 1.339 40 0 DDABHN Cc1ccc(N2CC[C@H]3OCCN(CC4CC4)[C@H]3CC2)nn1 ZINC000096082208 407236041 /nfs/dbraw/zinc/23/60/41/407236041.db2.gz QKBXDFSSZSDOGK-JKSUJKDBSA-N 0 3 302.422 1.865 40 0 DDABHN COCCN1CCO[C@@H]2CN(c3cccc(F)c3)CC[C@@H]2C1 ZINC000096082345 407236403 /nfs/dbraw/zinc/23/64/03/407236403.db2.gz NMPVEYKURBRXRO-RHSMWYFYSA-N 0 3 308.397 1.999 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1ccsc1)CC[C@@H]2OC ZINC000096109419 407237406 /nfs/dbraw/zinc/23/74/06/407237406.db2.gz XSYRRFSSVKNQNL-XHSDSOJGSA-N 0 3 310.463 1.916 40 0 DDABHN Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(C(=O)NC(C)C)C1 ZINC000096110019 407238939 /nfs/dbraw/zinc/23/89/39/407238939.db2.gz HPPDWUNEHQJQDP-CZUORRHYSA-N 0 3 307.394 1.264 40 0 DDABHN Cc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@H]3C2)cn1 ZINC000096161590 407242833 /nfs/dbraw/zinc/24/28/33/407242833.db2.gz DZGSTJBNXKBALV-CALCHBBNSA-N 0 3 322.412 1.989 40 0 DDABHN NC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1N1CCCCC1 ZINC000257231854 407506485 /nfs/dbraw/zinc/50/64/85/407506485.db2.gz GIJWHSTZLVLDJZ-WCVJEAGWSA-N 0 3 319.405 1.090 40 0 DDABHN CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000143214385 408183466 /nfs/dbraw/zinc/18/34/66/408183466.db2.gz IFULEBNOBLLOKS-QWRGUYRKSA-N 0 3 315.414 1.766 40 0 DDABHN Cc1cn(C)c([C@@H]2CN(C(=O)CN3CCCCCC3)CCO2)n1 ZINC000257325603 279000125 /nfs/dbraw/zinc/00/01/25/279000125.db2.gz WTRLDCFQWJSJQR-HNNXBMFYSA-N 0 3 320.437 1.504 40 0 DDABHN CCN(C[C@H]1CCCCN1C(=O)OC(C)(C)C)C(=O)[C@H](C)N ZINC000079391261 185168146 /nfs/dbraw/zinc/16/81/46/185168146.db2.gz VXXLDOKACPPPBD-QWHCGFSZSA-N 0 3 313.442 1.972 40 0 DDABHN CC(C)N(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CN ZINC000079391125 185168222 /nfs/dbraw/zinc/16/82/22/185168222.db2.gz FRSRHYQHVXNTJG-UHFFFAOYSA-N 0 3 313.442 1.829 40 0 DDABHN CNc1ncccc1CN1CC[C@@H](OC)[C@H](CC(=O)N(C)C)C1 ZINC000585277757 354821299 /nfs/dbraw/zinc/82/12/99/354821299.db2.gz OWPULQFLJFBCGZ-HUUCEWRRSA-N 0 3 320.437 1.439 40 0 DDABHN Cc1c(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cnn1C ZINC000585291824 354826127 /nfs/dbraw/zinc/82/61/27/354826127.db2.gz DSGRPTKPRLVOFB-BRWVUGGUSA-N 0 3 319.380 1.189 40 0 DDABHN OCC(CO)(CO)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000006580805 181357203 /nfs/dbraw/zinc/35/72/03/181357203.db2.gz WHDOWGMCGHODFS-QGZVFWFLSA-N 0 3 301.386 1.276 40 0 DDABHN O=S1(=O)c2ccc(-c3ccc(F)nc3)cc2[C@@H]2CNC[C@@H]21 ZINC000306142673 285074626 /nfs/dbraw/zinc/07/46/26/285074626.db2.gz XGEWIVPMUNXCEE-JSGCOSHPSA-N 0 3 304.346 1.730 40 0 DDABHN Cc1noc(CCNCc2cc3cccc4c3n(c2=O)CC4)n1 ZINC000072206575 257128166 /nfs/dbraw/zinc/12/81/66/257128166.db2.gz ZZFZCLNMVJXDFX-UHFFFAOYSA-N 0 3 310.357 1.581 40 0 DDABHN C[C@H]1Cc2cc([C@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O ZINC000012146846 406837207 /nfs/dbraw/zinc/83/72/07/406837207.db2.gz HDWPFWHTOXHISQ-BLLLJJGKSA-N 0 3 324.446 1.526 40 0 DDABHN O=C1N[C@@]2(CN(Cc3ccccc3)C[C@H]2CO)Cc2ccccc21 ZINC000019372645 406885368 /nfs/dbraw/zinc/88/53/68/406885368.db2.gz IHLZGTIRXVFGAT-FXAWDEMLSA-N 0 3 322.408 1.836 40 0 DDABHN COc1ccccc1[C@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000022239228 406890513 /nfs/dbraw/zinc/89/05/13/406890513.db2.gz LLUOLGRIDWVZKS-AWEZNQCLSA-N 0 3 321.340 1.692 40 0 DDABHN O=C1N(c2ccccc2)C[C@H]2CN(C3CCOCC3)CCN12 ZINC000077266493 406982230 /nfs/dbraw/zinc/98/22/30/406982230.db2.gz IJAPMLOONBZWAK-MRXNPFEDSA-N 0 3 301.390 1.792 40 0 biogenic,in-vitro DDABHN O=C(CNC1CC1)Nc1ccccc1I ZINC000037386746 406988755 /nfs/dbraw/zinc/98/87/55/406988755.db2.gz RYWFEFNVODCKDT-UHFFFAOYSA-N 0 3 316.142 1.982 40 0 DDABHN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(n1cc(CN)nn1)C2 ZINC000095096505 407206742 /nfs/dbraw/zinc/20/67/42/407206742.db2.gz YXFLJZCLLFUPRT-FUNVUKJBSA-N 0 3 307.398 1.840 40 0 DDABHN O=C([C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21)N1CCCO1 ZINC000096064492 407233214 /nfs/dbraw/zinc/23/32/14/407233214.db2.gz JOUIEXJQKWWLQL-RBSFLKMASA-N 0 3 306.362 1.138 40 0 DDABHN c1ccc(CN2CCOC3(CCN([C@H]4CCOC4)CC3)C2)nc1 ZINC000096158848 407241261 /nfs/dbraw/zinc/24/12/61/407241261.db2.gz YVKUVGOSQNHZPZ-KRWDZBQOSA-N 0 3 317.433 1.537 40 0 DDABHN COCC(=O)N1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096202186 407249505 /nfs/dbraw/zinc/24/95/05/407249505.db2.gz XUGUYORUTLHYRQ-MRXNPFEDSA-N 0 3 324.446 1.445 40 0 DDABHN Cc1nc(CN2CCC3(CC(NS(C)(=O)=O)C3)CC2)c[nH]1 ZINC000108526663 407387099 /nfs/dbraw/zinc/38/70/99/407387099.db2.gz BVHVCJSTBQLXDM-UHFFFAOYSA-N 0 3 312.439 1.012 40 0 DDABHN Cc1ncc(CN2CCC3(CC(NS(C)(=O)=O)C3)CC2)[nH]1 ZINC000108526663 407387100 /nfs/dbraw/zinc/38/71/00/407387100.db2.gz BVHVCJSTBQLXDM-UHFFFAOYSA-N 0 3 312.439 1.012 40 0 DDABHN Cn1nccc1CN1CCC2(CC(NC(=O)C3CC3)C2)CC1 ZINC000108526939 407387338 /nfs/dbraw/zinc/38/73/38/407387338.db2.gz ZYRMDDQYQYPQLT-UHFFFAOYSA-N 0 3 302.422 1.691 40 0 DDABHN COCCN1CCC(Cc2cncc(-c3cncn3C)n2)CC1 ZINC000257205386 407492955 /nfs/dbraw/zinc/49/29/55/407492955.db2.gz AYUBIPLDAIGROW-UHFFFAOYSA-N 0 3 315.421 1.778 40 0 DDABHN CC(=O)N1CC[C@H]2[C@@H](C[C@](C)(CO)N2Cc2ncccc2C)C1 ZINC000257211622 407496320 /nfs/dbraw/zinc/49/63/20/407496320.db2.gz BZOUUBCVMMFCGY-RYQLBKOJSA-N 0 3 317.433 1.584 40 0 DDABHN CC(C)C(=O)N[C@H]1CCN(CCOc2ccccc2)CC[C@@H]1O ZINC000257231886 407506922 /nfs/dbraw/zinc/50/69/22/407506922.db2.gz GIOAKNFJVBGGAY-IRXDYDNUSA-N 0 3 320.433 1.663 40 0 DDABHN c1cn(C[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)cn1 ZINC000253476829 407450696 /nfs/dbraw/zinc/45/06/96/407450696.db2.gz BOPKJIKXOJLDEX-ULQDDVLXSA-N 0 3 305.422 1.789 40 0 DDABHN CC(=O)NCc1c[nH]c([C@@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257238849 407513399 /nfs/dbraw/zinc/51/33/99/407513399.db2.gz HMTQYRZKVSXNOO-CQSZACIVSA-N 0 3 313.405 1.739 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(C)(=O)=O ZINC000218470635 407518011 /nfs/dbraw/zinc/51/80/11/407518011.db2.gz NSWHTGUSYRGYPH-OWCLPIDISA-N 0 3 311.447 1.741 40 0 DDABHN CN1CCC(C(=O)N2CC(Cc3nccc4cc[nH]c43)C2)CC1 ZINC000257251374 407520406 /nfs/dbraw/zinc/52/04/06/407520406.db2.gz JQMARTHTXNGJDP-UHFFFAOYSA-N 0 3 312.417 1.906 40 0 DDABHN CC(=O)N1CCN(C2CCN(C)CC2)C[C@H]1c1ccccc1 ZINC000257234742 278039731 /nfs/dbraw/zinc/03/97/31/278039731.db2.gz GUXFEVCBWQCVNG-SFHVURJKSA-N 0 3 301.434 1.986 40 0 DDABHN CC(=O)N1CC2(C1)CN(Cc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC000306145255 526523056 /nfs/dbraw/zinc/52/30/56/526523056.db2.gz YSPAJHIZZKSCIB-MRXNPFEDSA-N 0 3 315.417 1.055 40 0 DDABHN Cc1cnn([C@H]2[C@@H]3OC[C@@H](O3)[C@@H](NCc3ccccc3)[C@@H]2O)c1 ZINC000952845034 775567480 /nfs/dbraw/zinc/56/74/80/775567480.db2.gz ZKVMHYLCKAARRL-OVYGPGRDSA-N 0 3 315.373 1.007 40 0 biogenic,in-vitro DDABHN CC(C)[C@H](N)C(=O)N1CC[C@H](NC(=O)OCc2ccccc2)C1 ZINC000079413130 185170348 /nfs/dbraw/zinc/17/03/48/185170348.db2.gz GWTVYWBLQDSLGZ-GJZGRUSLSA-N 0 3 319.405 1.497 40 0 DDABHN OCc1ccc(CN2CC3(C2)C[C@H](CO)CN3CC2CC2)cc1 ZINC000585093811 354803479 /nfs/dbraw/zinc/80/34/79/354803479.db2.gz GYKJSKRJQPOFES-SFHVURJKSA-N 0 3 316.445 1.458 40 0 DDABHN CNC(=O)C[C@@H]1CN(Cc2cccnc2NC)CC[C@H]1OC ZINC000585278520 354822605 /nfs/dbraw/zinc/82/26/05/354822605.db2.gz TZXMPVNFROWWSC-ZIAGYGMSSA-N 0 3 306.410 1.096 40 0 DDABHN NCCN[C@H](CS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000073633130 191332388 /nfs/dbraw/zinc/33/23/88/191332388.db2.gz GHUKAGGAUSLWNS-MRXNPFEDSA-N 0 3 304.415 1.750 40 0 DDABHN CC[C@H](c1ccc(F)cc1)n1cc(C(=O)NCCN(C)C)nn1 ZINC000004985808 181185275 /nfs/dbraw/zinc/18/52/75/181185275.db2.gz GBSFMYIQWBJQOE-OAHLLOKOSA-N 0 3 319.384 1.708 40 0 DDABHN O=C(CN1CCC[C@@H]1CCc1ccncc1)N1CCOCC1 ZINC000257221569 202955774 /nfs/dbraw/zinc/95/57/74/202955774.db2.gz DPPWVFDDJKCHQG-MRXNPFEDSA-N 0 3 303.406 1.337 40 0 DDABHN CN1CCC(C(=O)N2CC[C@@H]3[C@H](C2)CCCC(=O)N3C)CC1 ZINC000257313831 203039451 /nfs/dbraw/zinc/03/94/51/203039451.db2.gz UUGPMUJKCVOPOC-LSDHHAIUSA-N 0 3 307.438 1.188 40 0 DDABHN C[C@]12CCN(C(=O)CN)[C@H]1CCC(=O)N2Cc1ccccc1 ZINC000257321232 203046436 /nfs/dbraw/zinc/04/64/36/203046436.db2.gz WASNXGLKUXSLLQ-YOEHRIQHSA-N 0 3 301.390 1.127 40 0 DDABHN CNc1cc(CN(C)CC2=CCCOC2)nc([C@@H]2CCCN2)n1 ZINC000019759977 182144828 /nfs/dbraw/zinc/14/48/28/182144828.db2.gz KSGIZYMBLLVAHV-HNNXBMFYSA-N 0 3 317.437 1.721 40 0 DDABHN CN1CCC(NC(=O)c2cccc(N3CCCC3=O)c2)CC1 ZINC000061497546 184171811 /nfs/dbraw/zinc/17/18/11/184171811.db2.gz IETCTNPQZNTVPC-UHFFFAOYSA-N 0 3 301.390 1.637 40 0 DDABHN COC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1cccc(Cl)c1 ZINC000252515822 257106306 /nfs/dbraw/zinc/10/63/06/257106306.db2.gz NVTZOBTVXRSMQW-JHJVBQTASA-N 0 3 303.811 1.442 40 0 DDABHN Cn1nc(C(C)(C)C)cc1C(=O)NCCCN1CCN(C)CC1 ZINC000035314380 406971046 /nfs/dbraw/zinc/97/10/46/406971046.db2.gz QMJHEHCQEKZUEC-UHFFFAOYSA-N 0 3 321.469 1.085 40 0 DDABHN CC(C)N1CCOC[C@@]2(CN(Cc3ccncc3)CCO2)C1 ZINC000096049738 407228419 /nfs/dbraw/zinc/22/84/19/407228419.db2.gz XVUAVBUQYJMHJS-QGZVFWFLSA-N 0 3 305.422 1.393 40 0 DDABHN CN(C)CCN1CCO[C@H]2CN(Cc3ccc(F)cc3)C[C@H]21 ZINC000096054299 407229627 /nfs/dbraw/zinc/22/96/27/407229627.db2.gz YZPABFKWOHDFQF-SJORKVTESA-N 0 3 307.413 1.272 40 0 DDABHN COCCN1C(=O)C[C@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 ZINC000096183840 407244446 /nfs/dbraw/zinc/24/44/46/407244446.db2.gz UIFQAHLIFWSUDC-KGLIPLIRSA-N 0 3 318.373 1.237 40 0 DDABHN COc1ccc(CN2CC[C@H](O)[C@@H]2Cc2cnn(C)c2)cc1 ZINC000096200566 407248692 /nfs/dbraw/zinc/24/86/92/407248692.db2.gz SCIRIHXLAPNEKC-IRXDYDNUSA-N 0 3 301.390 1.607 40 0 DDABHN CN1CC[C@]2(C1)COCCN(S(=O)(=O)c1cccs1)C2 ZINC000096201927 407249005 /nfs/dbraw/zinc/24/90/05/407249005.db2.gz DYBZXCDCDRDVPK-CYBMUJFWSA-N 0 3 316.448 1.091 40 0 DDABHN COCCNC(=O)[C@H]1CN(Cc2ccccc2C)[C@@H]2CCO[C@@H]21 ZINC000108525928 407386617 /nfs/dbraw/zinc/38/66/17/407386617.db2.gz CTUQMSHLIDXZOG-GVDBMIGSSA-N 0 3 318.417 1.347 40 0 DDABHN CN(C)C(=O)[C@@H]1CN(C)CCN(Cc2ccc(F)cc2F)C1 ZINC000257267942 407530197 /nfs/dbraw/zinc/53/01/97/407530197.db2.gz MJNMSMORYWBKRK-CYBMUJFWSA-N 0 3 311.376 1.417 40 0 DDABHN CCCCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1 ZINC000006651467 352118325 /nfs/dbraw/zinc/11/83/25/352118325.db2.gz VDLKVYPCVUQZHK-UHFFFAOYSA-N 0 3 307.394 1.482 40 0 DDABHN COCCN1CCC2(CC1)CN(C(=O)c1ccsc1)CCO2 ZINC000585101272 354806479 /nfs/dbraw/zinc/80/64/79/354806479.db2.gz DYKZRKSPVRQCAM-UHFFFAOYSA-N 0 3 324.446 1.702 40 0 DDABHN CN1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 ZINC000585286539 354824201 /nfs/dbraw/zinc/82/42/01/354824201.db2.gz ZRJQLNAWMOAIDW-GVDBMIGSSA-N 0 3 308.397 1.734 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ncccc2C)c1 ZINC000257283027 203011273 /nfs/dbraw/zinc/01/12/73/203011273.db2.gz OWLJGTUKJYYYHF-SFHVURJKSA-N 0 3 324.428 1.896 40 0 DDABHN O=C(CCc1ccc(F)cc1)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257314163 203038648 /nfs/dbraw/zinc/03/86/48/203038648.db2.gz UVPAWMAUHRKBNJ-HZPDHXFCSA-N 0 3 306.381 1.426 40 0 DDABHN COC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000252515823 257106199 /nfs/dbraw/zinc/10/61/99/257106199.db2.gz NVTZOBTVXRSMQW-YNEHKIRRSA-N 0 3 303.811 1.442 40 0 DDABHN CCN(CC)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O ZINC000514289594 257216613 /nfs/dbraw/zinc/21/66/13/257216613.db2.gz WBKHEIFHPGAQBS-SOUVJXGZSA-N 0 3 310.369 1.026 40 0 biogenic,in-vitro DDABHN COc1cc(C[C@H]2[C@@H](O)C3CCN2CC3)cc(OC)c1OC ZINC000001688565 406674583 /nfs/dbraw/zinc/67/45/83/406674583.db2.gz CSOPYOZGEXBZJX-BBRMVZONSA-N 0 3 307.390 1.710 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1Cl ZINC000006953144 406744836 /nfs/dbraw/zinc/74/48/36/406744836.db2.gz NIBRQAKIEUAKDN-LLVKDONJSA-N 0 3 309.797 1.879 40 0 DDABHN Cc1cc(C)cc(OCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000022829969 406890485 /nfs/dbraw/zinc/89/04/85/406890485.db2.gz YONNWHYTFRQYKC-UHFFFAOYSA-N 0 3 319.449 1.436 40 0 DDABHN O=C1[C@H]2CN(Cc3cccs3)C[C@H]2CN1c1cncnc1 ZINC000096245199 407254669 /nfs/dbraw/zinc/25/46/69/407254669.db2.gz KJHLILYXGGMZPL-FZMZJTMJSA-N 0 3 300.387 1.633 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3nccs3)CC[C@@H]2C1 ZINC000096249600 407256287 /nfs/dbraw/zinc/25/62/87/407256287.db2.gz ATALYBPDXPDUGZ-ZIAGYGMSSA-N 0 3 311.451 1.312 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)cc3)C[C@H]21 ZINC000096043322 407226368 /nfs/dbraw/zinc/22/63/68/407226368.db2.gz GUQRWALPRRZPQM-IXDOHACOSA-N 0 3 302.418 1.968 40 0 DDABHN CN1CC[C@]2(C1)COCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096201931 407248571 /nfs/dbraw/zinc/24/85/71/407248571.db2.gz NPMBVRJTPHRBFU-OAHLLOKOSA-N 0 3 310.419 1.029 40 0 DDABHN COc1cc(OC)c([C@@H](CN)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000216294602 407496493 /nfs/dbraw/zinc/49/64/93/407496493.db2.gz IUPYXDQHHMQQBS-SGMGOOAPSA-N 0 3 324.421 1.821 40 0 DDABHN CCOC(=O)[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218247757 407514597 /nfs/dbraw/zinc/51/45/97/407514597.db2.gz SIPZRJFTSGPMSX-IPYPFGDCSA-N 0 3 311.403 1.014 40 0 DDABHN COc1ccc(C2(C(=O)N3CC[C@@](O)(CN(C)C)C3)CC2)cc1 ZINC000257291712 407535058 /nfs/dbraw/zinc/53/50/58/407535058.db2.gz QIHLMRNNWASHHG-QGZVFWFLSA-N 0 3 318.417 1.252 40 0 DDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1C(=O)CN)C1CC1 ZINC000079409386 278377796 /nfs/dbraw/zinc/37/77/96/278377796.db2.gz PTSPDCKVUZEZOX-ZDUSSCGKSA-N 0 3 311.426 1.726 40 0 DDABHN NC[C@@]1(CO)[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036089 484146079 /nfs/dbraw/zinc/14/60/79/484146079.db2.gz IFEBLMVDUZKFJD-YESZJQIVSA-N 0 3 317.410 1.564 40 0 DDABHN CN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392860 185168435 /nfs/dbraw/zinc/16/84/35/185168435.db2.gz UWLWAWZQFPGOGE-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN COc1cc(CN2CC3(C2)C[C@H](CO)CN3C)cc(OC)c1 ZINC000585093860 354803157 /nfs/dbraw/zinc/80/31/57/354803157.db2.gz KSMYZUZPCQBALD-AWEZNQCLSA-N 0 3 306.406 1.202 40 0 DDABHN CCS(=O)(=O)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000585095351 354804011 /nfs/dbraw/zinc/80/40/11/354804011.db2.gz PSRNGLCEJAKBPB-AWEZNQCLSA-N 0 3 312.439 1.075 40 0 DDABHN Cc1c(C)n(C)c2ccc(NC(=O)[C@H]3CNCCN3C)cc12 ZINC000585177439 354817832 /nfs/dbraw/zinc/81/78/32/354817832.db2.gz ZBMYNTVEUYGPCE-MRXNPFEDSA-N 0 3 300.406 1.637 40 0 DDABHN O=C(CN1C[C@@H]2[C@H](Oc3cccnc3)CC[C@@H]2C1)N1CCCC1 ZINC000257305535 203030789 /nfs/dbraw/zinc/03/07/89/203030789.db2.gz SQMFDKXWYZWOGT-HYVNUMGLSA-N 0 3 315.417 1.793 40 0 DDABHN COc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022934766 182342025 /nfs/dbraw/zinc/34/20/25/182342025.db2.gz OTQBLNIMQOKVPK-RMKNXTFCSA-N 0 3 317.433 1.462 40 0 DDABHN CCOC[C@@]1(CN)[C@H](S(C)(=O)=O)[C@H]1c1ccc(F)cc1 ZINC000242495728 257120447 /nfs/dbraw/zinc/12/04/47/257120447.db2.gz GOFMPXOHXQZUAS-MGPQQGTHSA-N 0 3 301.383 1.318 40 0 DDABHN COC(=O)c1cc(NC(=S)NCCN(C)C)ccc1Cl ZINC000044385450 407022621 /nfs/dbraw/zinc/02/26/21/407022621.db2.gz WJSYHVQQZDVYLE-UHFFFAOYSA-N 0 3 315.826 1.975 40 0 DDABHN CC(C)N1CC[C@]2(C1)C[C@@H](NS(=O)(=O)C1CC1)CCO2 ZINC000096219009 407251794 /nfs/dbraw/zinc/25/17/94/407251794.db2.gz FDPAPRAWXKAWQM-GXTWGEPZSA-N 0 3 302.440 1.100 40 0 DDABHN COCCN1C(=O)CCC12CCN(Cc1cccc(C)n1)CC2 ZINC000096228060 407254123 /nfs/dbraw/zinc/25/41/23/407254123.db2.gz RIQOLGODWLCUOM-UHFFFAOYSA-N 0 3 317.433 1.993 40 0 DDABHN CCN1CCN(C)C(=O)C12CCN(Cc1ccsc1)CC2 ZINC000096230242 407254343 /nfs/dbraw/zinc/25/43/43/407254343.db2.gz VRUYQWXXRORVHG-UHFFFAOYSA-N 0 3 307.463 1.877 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCN(Cc4ccoc4)C3)C2=O)cn1 ZINC000096050512 407227876 /nfs/dbraw/zinc/22/78/76/407227876.db2.gz FQVBMEAUUNEJJC-MRXNPFEDSA-N 0 3 300.362 1.642 40 0 DDABHN O=C(c1ccnnc1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053816 407229607 /nfs/dbraw/zinc/22/96/07/407229607.db2.gz BJFFLXOKGRGEFF-GASCZTMLSA-N 0 3 309.373 1.076 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)Cc3ccsc3)C[C@@H]21 ZINC000096064326 407233306 /nfs/dbraw/zinc/23/33/06/407233306.db2.gz WEJZRCGQTBMGBE-SOUVJXGZSA-N 0 3 308.447 1.716 40 0 DDABHN C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN([C@@H]1CCOC1)CC2 ZINC000096187416 407246081 /nfs/dbraw/zinc/24/60/81/407246081.db2.gz KOJMXNNWQJMJLY-VXGBXAGGSA-N 0 3 304.394 1.181 40 0 DDABHN CC(C)NC(=O)N1CCOC[C@@]2(CCN(Cc3ccco3)C2)C1 ZINC000096202166 407249444 /nfs/dbraw/zinc/24/94/44/407249444.db2.gz LFPRXFQQHDJPNV-QGZVFWFLSA-N 0 3 321.421 1.922 40 0 DDABHN CC(C)CNC1(Cc2cc(CN3CCOCC3)on2)COC1 ZINC000067898394 407289653 /nfs/dbraw/zinc/28/96/53/407289653.db2.gz WYYVMHOYIJHWEZ-UHFFFAOYSA-N 0 3 309.410 1.064 40 0 biogenic,in-vitro DDABHN Cn1nc(C(F)(F)F)cc1CNCCCN1CCOCC1 ZINC000256050279 407478965 /nfs/dbraw/zinc/47/89/65/407478965.db2.gz DLVHXJXNHFFEDU-UHFFFAOYSA-N 0 3 306.332 1.251 40 0 DDABHN O=S(=O)(Cc1ccccc1)N1CC[C@@](O)(CN2CCCC2)C1 ZINC000257202170 407490233 /nfs/dbraw/zinc/49/02/33/407490233.db2.gz AKTHDENHKBMWGM-MRXNPFEDSA-N 0 3 324.446 1.049 40 0 DDABHN NCC(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 ZINC000257247441 407518290 /nfs/dbraw/zinc/51/82/90/407518290.db2.gz IZAOJIROCOHAJD-ILXRZTDVSA-N 0 3 301.390 1.346 40 0 DDABHN CC(C)(N)C(=O)N1CCC2(CO[C@@H](Cc3cccnc3)C2)CC1 ZINC000257263210 407525731 /nfs/dbraw/zinc/52/57/31/407525731.db2.gz LOXDGENGZNAAQK-HNNXBMFYSA-N 0 3 317.433 1.759 40 0 DDABHN COc1ccc(-c2cnc3c(N4CCNCC4)nccn23)cc1 ZINC000306123813 231084636 /nfs/dbraw/zinc/08/46/36/231084636.db2.gz AXQXIOGJGMSMKQ-UHFFFAOYSA-N 0 3 309.373 1.815 40 0 DDABHN CN1CCC(c2cccc(C(=O)N3CCC[C@@H](O)C3)n2)CC1 ZINC000072355760 191129948 /nfs/dbraw/zinc/12/99/48/191129948.db2.gz BDSHDIFBIFAGEE-CQSZACIVSA-N 0 3 303.406 1.488 40 0 DDABHN Cn1cc(NC(=O)c2cnc(C3CCN(C)CC3)cn2)cn1 ZINC000072360567 191131915 /nfs/dbraw/zinc/13/19/15/191131915.db2.gz XEUDTEZXFWEFPX-UHFFFAOYSA-N 0 3 300.366 1.272 40 0 DDABHN Cc1ccc(C(=O)N2Cc3ccnn3CC[C@@H]2CN(C)C)cn1 ZINC000585097268 354805426 /nfs/dbraw/zinc/80/54/26/354805426.db2.gz JMQKBXDAMFFASS-OAHLLOKOSA-N 0 3 313.405 1.563 40 0 DDABHN COC[C@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1C ZINC000585277753 354821743 /nfs/dbraw/zinc/82/17/43/354821743.db2.gz XOCMPMJMLNYFSW-QGZVFWFLSA-N 0 3 305.422 1.849 40 0 DDABHN Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN(C)C)C[C@H]1O ZINC000585289070 354825100 /nfs/dbraw/zinc/82/51/00/354825100.db2.gz FGBCALYWGSWRKY-OKMWKSJFSA-N 0 3 316.445 1.865 40 0 DDABHN O=C1CO[C@@H]2CN(c3ccncc3)C[C@H]2N1Cc1ccccc1 ZINC000257274562 203002385 /nfs/dbraw/zinc/00/23/85/203002385.db2.gz NLOVPBCWKNOGQE-IAGOWNOFSA-N 0 3 309.369 1.698 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2ncccc2C)c1 ZINC000257283026 203009854 /nfs/dbraw/zinc/00/98/54/203009854.db2.gz OWLJGTUKJYYYHF-GOSISDBHSA-N 0 3 324.428 1.896 40 0 DDABHN CNc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)c1 ZINC000257317817 203042460 /nfs/dbraw/zinc/04/24/60/203042460.db2.gz VLGRHXMRCCWRJZ-LLVKDONJSA-N 0 3 321.406 1.333 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccco4)C[C@H]32)n1 ZINC000096057244 193509027 /nfs/dbraw/zinc/50/90/27/193509027.db2.gz MUWGWMLZRCCBLC-NFAWXSAZSA-N 0 3 303.362 1.908 40 0 DDABHN COc1ncc(Br)cc1C(=O)NCCN(C)C ZINC000096510489 193674686 /nfs/dbraw/zinc/67/46/86/193674686.db2.gz WRECTTVCLOGALD-UHFFFAOYSA-N 0 3 302.172 1.144 40 0 DDABHN Cc1cnc2c(C(=O)NCCN3CCC(C)CC3)cnn2c1 ZINC000019239331 182111110 /nfs/dbraw/zinc/11/11/10/182111110.db2.gz XHBRCYCSHXOKGT-UHFFFAOYSA-N 0 3 301.394 1.499 40 0 DDABHN CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 ZINC000019460783 182124605 /nfs/dbraw/zinc/12/46/05/182124605.db2.gz SVTNZVZWTDZKDD-HDMKZQKVSA-N 0 3 323.481 1.239 40 0 DDABHN CN(CCN1CCCCC1)C(=O)c1c2c(nn1C)CCCC2 ZINC000019656521 182134098 /nfs/dbraw/zinc/13/40/98/182134098.db2.gz NYRHNXBLPNEPDR-UHFFFAOYSA-N 0 3 304.438 1.857 40 0 DDABHN Cc1ccc2[nH]c(=O)c(CNCCN3CCOCC3)cc2c1 ZINC000022459620 182322310 /nfs/dbraw/zinc/32/23/10/182322310.db2.gz XLGXWWKDLOGUSQ-UHFFFAOYSA-N 0 3 301.390 1.258 40 0 DDABHN CN1CCC[C@]2(CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000063527677 184284897 /nfs/dbraw/zinc/28/48/97/184284897.db2.gz LAZJAYBFUMMEIS-ZDUSSCGKSA-N 0 3 300.449 1.855 40 0 DDABHN OCCN(CCO)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000002679988 406696383 /nfs/dbraw/zinc/69/63/83/406696383.db2.gz PALOEAWHSCPFER-LLVKDONJSA-N 0 3 324.204 1.020 40 0 DDABHN CC(=O)Nc1ccc(CNC[C@H]2Cn3ccnc3CO2)cc1 ZINC000096296266 407258989 /nfs/dbraw/zinc/25/89/89/407258989.db2.gz BBISTKVFTRNGQH-HNNXBMFYSA-N 0 3 300.362 1.530 40 0 biogenic,in-vitro DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@@H]1OCCN2Cc1ccco1 ZINC000096055198 407229979 /nfs/dbraw/zinc/22/99/79/407229979.db2.gz YYWQSROMSOGCRM-BHYGNILZSA-N 0 3 308.422 1.837 40 0 DDABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccccn1)C2 ZINC000096109166 407237543 /nfs/dbraw/zinc/23/75/43/407237543.db2.gz MMBCFSHGBNCARE-QAPCUYQASA-N 0 3 317.433 1.789 40 0 DDABHN Cc1noc([C@]23COC[C@H]2CN(Cc2cccc(C)n2)C3)n1 ZINC000096110039 407238521 /nfs/dbraw/zinc/23/85/21/407238521.db2.gz PQXVOFQKCNTSTC-CZUORRHYSA-N 0 3 300.362 1.481 40 0 DDABHN CN1[C@@H](C(=O)NCC2CC2)C[C@H]2CN(Cc3ccsc3)C[C@H]21 ZINC000096185736 407244229 /nfs/dbraw/zinc/24/42/29/407244229.db2.gz WBCGQCJDEJVNMS-ARFHVFGLSA-N 0 3 319.474 1.779 40 0 DDABHN O=C([C@H]1CCOC1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096202765 407249688 /nfs/dbraw/zinc/24/96/88/407249688.db2.gz BWYIHCZIFNYEEA-AWEZNQCLSA-N 0 3 306.431 1.819 40 0 DDABHN FC(F)(F)Cn1cc(CNCCCN2CCOCC2)cn1 ZINC000256051058 407479363 /nfs/dbraw/zinc/47/93/63/407479363.db2.gz HNWUTFOJSRGAOQ-UHFFFAOYSA-N 0 3 306.332 1.257 40 0 DDABHN Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CN(C)C)C2)cc(C)n1 ZINC000248112205 280345555 /nfs/dbraw/zinc/34/55/55/280345555.db2.gz KJMZSZYIACBVEL-INIZCTEOSA-N 0 3 313.405 1.654 40 0 DDABHN Cc1ccsc1CN1C[C@H]2OC[C@H](CNC(=O)N(C)C)[C@H]2C1 ZINC000306137597 534472598 /nfs/dbraw/zinc/47/25/98/534472598.db2.gz RAWTUAOFOSHJEU-BFHYXJOUSA-N 0 3 323.462 1.775 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391394 185167983 /nfs/dbraw/zinc/16/79/83/185167983.db2.gz XEFVMYBQNZHDFI-OLZOCXBDSA-N 0 3 313.442 1.828 40 0 DDABHN CN(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392879 185168517 /nfs/dbraw/zinc/16/85/17/185168517.db2.gz QNMSPXSGYNATLX-CABCVRRESA-N 0 3 319.405 1.641 40 0 DDABHN Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CN)n1 ZINC000072360895 191131794 /nfs/dbraw/zinc/13/17/94/191131794.db2.gz LOOHIZJGLJHRCW-NSHDSACASA-N 0 3 318.406 1.607 40 0 DDABHN c1cc(CN2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)ccn1 ZINC000096110689 353914180 /nfs/dbraw/zinc/91/41/80/353914180.db2.gz WJZCSFWLMAHCAB-HZPDHXFCSA-N 0 3 311.389 1.209 40 0 DDABHN CN(C)C[C@H]1CN(C(=O)c2cccc(O)c2)Cc2ccnn21 ZINC000585095379 354804134 /nfs/dbraw/zinc/80/41/34/354804134.db2.gz SZSMJHUMFSHUAO-AWEZNQCLSA-N 0 3 300.362 1.347 40 0 DDABHN Cc1occc1C(=O)N1Cc2ccnn2CC[C@@H]1CN(C)C ZINC000585096835 354805052 /nfs/dbraw/zinc/80/50/52/354805052.db2.gz DODBFLYLGXFJFJ-CYBMUJFWSA-N 0 3 302.378 1.761 40 0 DDABHN Cc1occc1C(=O)N1Cc2ccnn2CC[C@H]1CN(C)C ZINC000585096838 354805319 /nfs/dbraw/zinc/80/53/19/354805319.db2.gz DODBFLYLGXFJFJ-ZDUSSCGKSA-N 0 3 302.378 1.761 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2cncs2)c1 ZINC000257295064 203020933 /nfs/dbraw/zinc/02/09/33/203020933.db2.gz QWVYQBSSEHRPQM-HNNXBMFYSA-N 0 3 316.430 1.649 40 0 DDABHN CC(=O)N[C@H]1CCN(Cc2ccc3ncccc3c2)CC[C@@H]1O ZINC000257335857 203057191 /nfs/dbraw/zinc/05/71/91/203057191.db2.gz YMELUZSZSTZFAM-ROUUACIJSA-N 0 3 313.401 1.696 40 0 DDABHN Cc1cnc(C[C@@H]2COCCN(c3cc(C)nc(N)n3)C2)cn1 ZINC000257344764 203067047 /nfs/dbraw/zinc/06/70/47/203067047.db2.gz ZYPBKMGWRXCHFJ-ZDUSSCGKSA-N 0 3 314.393 1.161 40 0 DDABHN Cc1ccc2cc(CNCCN3CCOCC3)c(=O)[nH]c2c1C ZINC000022921246 182341536 /nfs/dbraw/zinc/34/15/36/182341536.db2.gz MDURKKADIOAWEL-UHFFFAOYSA-N 0 3 315.417 1.567 40 0 DDABHN COc1c2c(c([C@](C)(O)C(F)F)c3c1CN(C)CC3)OCO2 ZINC000242548290 257120376 /nfs/dbraw/zinc/12/03/76/257120376.db2.gz LIEBBQHXAZOSRT-HNNXBMFYSA-N 0 3 315.316 1.884 40 0 DDABHN CCN1CC2(C1)CN(Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12 ZINC000514289134 257215981 /nfs/dbraw/zinc/21/59/81/257215981.db2.gz IHKULDNGWBVDKQ-DLBZAZTESA-N 0 3 301.434 1.012 40 0 biogenic,in-vitro DDABHN CN1CCN(c2ccc(N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000040177459 407001265 /nfs/dbraw/zinc/00/12/65/407001265.db2.gz LFBXPCNHWOICLV-CQSZACIVSA-N 0 3 309.435 1.037 40 0 DDABHN CN(C)CCN1CCO[C@H]2CCN(C(=O)c3ccoc3)CC[C@@H]21 ZINC000096249271 407256567 /nfs/dbraw/zinc/25/65/67/407256567.db2.gz KXIXCDJGBOTPFK-HOTGVXAUSA-N 0 3 321.421 1.147 40 0 DDABHN c1cc(CN2CCOC[C@]3(CN(CC4CC4)CCO3)C2)ccn1 ZINC000096049847 407227976 /nfs/dbraw/zinc/22/79/76/407227976.db2.gz ALZZVLLMZLVYTJ-GOSISDBHSA-N 0 3 317.433 1.395 40 0 DDABHN Cc1ccc(CN2CC[C@H]3[C@H](CN4CCOCC4)OC[C@H]3C2)o1 ZINC000096056211 407229586 /nfs/dbraw/zinc/22/95/86/407229586.db2.gz RHXOILJVOAOXKF-NXHRZFHOSA-N 0 3 320.433 1.757 40 0 DDABHN O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21 ZINC000096058283 407230369 /nfs/dbraw/zinc/23/03/69/407230369.db2.gz PBDJRUTZRBEBLI-OWCLPIDISA-N 0 3 304.390 1.785 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1nccs1)C2 ZINC000096062299 407233310 /nfs/dbraw/zinc/23/33/10/407233310.db2.gz XWXYSVOXUZTHHJ-HNNXBMFYSA-N 0 3 311.451 1.314 40 0 DDABHN Cc1cccc(S(=O)(=O)N2CCOC[C@@]3(CCN(C)C3)C2)c1 ZINC000096070352 407233992 /nfs/dbraw/zinc/23/39/92/407233992.db2.gz FNWYZIKYHRWAAK-MRXNPFEDSA-N 0 3 324.446 1.338 40 0 DDABHN Cc1noc(C)c1CN1CCOCC12CCN(C[C@@H](C)O)CC2 ZINC000096074669 407234755 /nfs/dbraw/zinc/23/47/55/407234755.db2.gz SGYKLHSLZZJWPX-CYBMUJFWSA-N 0 3 323.437 1.339 40 0 DDABHN CN(C)CCNC(=O)c1cc2c(s1)CCN2C(=O)C1CC1 ZINC000096146817 407240437 /nfs/dbraw/zinc/24/04/37/407240437.db2.gz YYMBKHFAHCLHIC-UHFFFAOYSA-N 0 3 307.419 1.339 40 0 DDABHN CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2N1C(C)C ZINC000096182644 407243247 /nfs/dbraw/zinc/24/32/47/407243247.db2.gz DWSYJIUNOZTLKU-OAGGEKHMSA-N 0 3 302.422 1.111 40 0 DDABHN Cc1noc(C)c1CN1CCc2ncc(CN(C)C)n2CC1 ZINC000096196781 407247001 /nfs/dbraw/zinc/24/70/01/407247001.db2.gz VKSIFPKFGXOKNK-UHFFFAOYSA-N 0 3 303.410 1.608 40 0 DDABHN Cc1cnc(N2CCC[C@@]3(CCCN3CC(=O)N(C)C)C2)nc1 ZINC000096214887 407250669 /nfs/dbraw/zinc/25/06/69/407250669.db2.gz MLZAXIHRBSHTLB-QGZVFWFLSA-N 0 3 317.437 1.308 40 0 DDABHN COc1cc(OC)c([C@@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000108350097 407384883 /nfs/dbraw/zinc/38/48/83/407384883.db2.gz IUPYXDQHHMQQBS-MBNYWOFBSA-N 0 3 324.421 1.821 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@H]1O ZINC000257217302 407500375 /nfs/dbraw/zinc/50/03/75/407500375.db2.gz CYKUBZCFKXYKJM-CHWSQXEVSA-N 0 3 300.761 1.155 40 0 DDABHN CCOC(=O)[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218247877 407515980 /nfs/dbraw/zinc/51/59/80/407515980.db2.gz SIPZRJFTSGPMSX-YDHLFZDLSA-N 0 3 311.403 1.014 40 0 DDABHN NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257269454 407530032 /nfs/dbraw/zinc/53/00/32/407530032.db2.gz MPYYXGMBTHSMMQ-UHFFFAOYSA-N 0 3 311.389 1.885 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)COc2ccccc2Cl)C1 ZINC000257331322 407534285 /nfs/dbraw/zinc/53/42/85/407534285.db2.gz XSJJBNQAUSKRFE-HNNXBMFYSA-N 0 3 312.797 1.244 40 0 DDABHN NCC(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 ZINC000079404333 185169715 /nfs/dbraw/zinc/16/97/15/185169715.db2.gz SUPNLPDNTQRDGO-KRWDZBQOSA-N 0 3 301.434 1.991 40 0 DDABHN Cn1cncc1CN1CC[C@@]2(CCC[C@@H]2C(=O)NCC2CC2)C1 ZINC000108535734 185520911 /nfs/dbraw/zinc/52/09/11/185520911.db2.gz NIDQVABYGPPTRP-AEFFLSMTSA-N 0 3 316.449 1.939 40 0 DDABHN Cc1cncc(C(=O)N2Cc3ccnn3CC[C@H]2CN(C)C)c1 ZINC000585098119 354805975 /nfs/dbraw/zinc/80/59/75/354805975.db2.gz UIKWSQMJFKIGEG-HNNXBMFYSA-N 0 3 313.405 1.563 40 0 DDABHN CCn1cc(CN2CCC[C@H](OC)[C@@H]2CCC(=O)NC)cn1 ZINC000585277758 354821864 /nfs/dbraw/zinc/82/18/64/354821864.db2.gz XPVZYRRHRZACDT-GJZGRUSLSA-N 0 3 308.426 1.409 40 0 DDABHN O[C@]1(COc2ccc(F)c(F)c2)COCCN(C2CCC2)C1 ZINC000585281192 354823148 /nfs/dbraw/zinc/82/31/48/354823148.db2.gz GIMCCJAVSSNZPP-INIZCTEOSA-N 0 3 313.344 1.959 40 0 DDABHN COc1ccccc1[C@H]1CNCCN1C(=O)Cn1ccnc1C ZINC000257299395 203023651 /nfs/dbraw/zinc/02/36/51/203023651.db2.gz RPXFBQHCBCYUGK-OAHLLOKOSA-N 0 3 314.389 1.373 40 0 DDABHN COCCN1CCC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257285302 203011629 /nfs/dbraw/zinc/01/16/29/203011629.db2.gz PGNNEJFWZQYWMF-CYBMUJFWSA-N 0 3 301.394 1.768 40 0 DDABHN CN(CCN1CCCCC1)C(=O)Cn1cnc2ccccc21 ZINC000019657555 182135033 /nfs/dbraw/zinc/13/50/33/182135033.db2.gz CDNRMXYHNKQCGI-UHFFFAOYSA-N 0 3 300.406 1.981 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218247939 257130684 /nfs/dbraw/zinc/13/06/84/257130684.db2.gz SIPZRJFTSGPMSX-KCQAQPDRSA-N 0 3 311.403 1.014 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C1(CN)CN ZINC000218375067 257130784 /nfs/dbraw/zinc/13/07/84/257130784.db2.gz QQRFFSGSVLZIJO-NEPJUHHUSA-N 0 3 302.827 1.144 40 0 DDABHN c1cc(CN2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ccn1 ZINC000503731155 257201545 /nfs/dbraw/zinc/20/15/45/257201545.db2.gz WJZCSFWLMAHCAB-CVEARBPZSA-N 0 3 311.389 1.209 40 0 DDABHN NC[C@@H]1CCN(c2ccc(OC3CCCC3)cc2)S1(=O)=O ZINC000222545905 407558984 /nfs/dbraw/zinc/55/89/84/407558984.db2.gz BLEACDIEZNNUFC-HNNXBMFYSA-N 0 3 310.419 1.875 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cc(F)ccc1C ZINC000073743114 406892957 /nfs/dbraw/zinc/89/29/57/406892957.db2.gz SNPQPSRDUYIPEP-ZDUSSCGKSA-N 0 3 307.369 1.673 40 0 DDABHN Cn1cc(N2C[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2=O)cn1 ZINC000096245239 407254527 /nfs/dbraw/zinc/25/45/27/407254527.db2.gz KVKXVUWVJXRGPF-JSGCOSHPSA-N 0 3 302.403 1.576 40 0 DDABHN CCN1C[C@H]2C[C@H](C(=O)Nc3ccc4c(c3)OCO4)[C@@H](C1)O2 ZINC000096253467 407256945 /nfs/dbraw/zinc/25/69/45/407256945.db2.gz XGSIMJBZNDHSFR-TYNCELHUSA-N 0 3 304.346 1.463 40 0 DDABHN CC(C)Oc1ncnc2c1CCN(Cc1cnn(C)c1)CC2 ZINC000096255636 407257034 /nfs/dbraw/zinc/25/70/34/407257034.db2.gz XVURASMOAZJBKQ-UHFFFAOYSA-N 0 3 301.394 1.598 40 0 DDABHN Cn1cnc2c1CCN(C(=O)CC1CC1)[C@@H]2CN1CCCC1 ZINC000096259799 407258063 /nfs/dbraw/zinc/25/80/63/407258063.db2.gz WRUPRIVEYGQWLP-OAHLLOKOSA-N 0 3 302.422 1.742 40 0 DDABHN CN(C)CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)N(C)C)C2 ZINC000096039570 407225294 /nfs/dbraw/zinc/22/52/94/407225294.db2.gz LQJJNWGUIVIVGB-ZBFHGGJFSA-N 0 3 313.442 1.117 40 0 DDABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21 ZINC000096057188 407230762 /nfs/dbraw/zinc/23/07/62/407230762.db2.gz DWSNKZGGZCRJGV-FMKPAKJESA-N 0 3 322.405 1.127 40 0 DDABHN CCN1CCO[C@@H]2CN(C(=O)Cc3cccc(OC)c3)C[C@@H]2C1 ZINC000096107960 407238047 /nfs/dbraw/zinc/23/80/47/407238047.db2.gz IMGDJJIFPDYWDJ-DOTOQJQBSA-N 0 3 318.417 1.417 40 0 DDABHN CN1CCC(N2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)CC1 ZINC000096111915 407238891 /nfs/dbraw/zinc/23/88/91/407238891.db2.gz ZLFHPSPTXVKYCS-HOCLYGCPSA-N 0 3 315.417 1.579 40 0 biogenic,in-vitro DDABHN CN1CC[C@@]2(C1)COCCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096201934 407248808 /nfs/dbraw/zinc/24/88/08/407248808.db2.gz JYCFMMWXKPLMSA-INIZCTEOSA-N 0 3 324.446 1.171 40 0 DDABHN O=C([C@H]1CN(Cc2ccsc2)[C@@H]2CCO[C@@H]21)N1CCOCC1 ZINC000108529771 407387724 /nfs/dbraw/zinc/38/77/24/407387724.db2.gz HYKWHSDIPUQZKX-RRFJBIMHSA-N 0 3 322.430 1.196 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(C(=O)CN)C2CC2)CC1 ZINC000242463386 407915765 /nfs/dbraw/zinc/91/57/65/407915765.db2.gz CZRKRXDDCSBOEL-HAQNSBGRSA-N 0 3 311.426 1.772 40 0 DDABHN COCCN1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccncc1 ZINC000096070092 277225925 /nfs/dbraw/zinc/22/59/25/277225925.db2.gz IDIMUHQFFULAPA-SJORKVTESA-N 0 3 305.422 1.046 40 0 DDABHN CC(C)N(C[C@@H]1CCCCN1C(=O)CN)C(=O)OC(C)(C)C ZINC000079409282 279447068 /nfs/dbraw/zinc/44/70/68/279447068.db2.gz MITILVWDBCYFTF-ZDUSSCGKSA-N 0 3 313.442 1.972 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412676 185170273 /nfs/dbraw/zinc/17/02/73/185170273.db2.gz PBGLBNZHZAHXEB-JSGCOSHPSA-N 0 3 305.378 1.109 40 0 DDABHN C[C@H](N)C(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079393085 185168902 /nfs/dbraw/zinc/16/89/02/185168902.db2.gz PEDOJJQDXYMPFG-ZDUSSCGKSA-N 0 3 319.405 1.593 40 0 DDABHN CN1CCC[C@H](c2cccc(N3CCC(C(N)=O)CC3)n2)C1 ZINC000072364952 191134435 /nfs/dbraw/zinc/13/44/35/191134435.db2.gz ADTNDVMZAWXMEO-AWEZNQCLSA-N 0 3 302.422 1.593 40 0 DDABHN CO[C@@H]1CCN(Cc2ccccn2)C[C@H]1CC(=O)N1CCCC1 ZINC000585275125 354819619 /nfs/dbraw/zinc/81/96/19/354819619.db2.gz XPBVCUDINBAATG-NVXWUHKLSA-N 0 3 317.433 1.931 40 0 DDABHN Cc1cccc(O[C@@H]2CCC[C@H](N3CCN(C)CC3)[C@H]2O)c1 ZINC000585290092 354824934 /nfs/dbraw/zinc/82/49/34/354824934.db2.gz ZXFNINLRVFLBQA-RCCFBDPRSA-N 0 3 304.434 1.903 40 0 DDABHN Cc1ccccc1[C@H]1CN(Cc2cnn(C)c2)[C@H](CO)[C@@H]1O ZINC000585294917 354825969 /nfs/dbraw/zinc/82/59/69/354825969.db2.gz LKWCBJRTDIDRDT-BRWVUGGUSA-N 0 3 301.390 1.050 40 0 DDABHN Cc1ncc(-c2cncc([C@H]3CCCN(CCO)C3)n2)n1C ZINC000257338152 203059520 /nfs/dbraw/zinc/05/95/20/203059520.db2.gz YWCQQRNVYZURFH-ZDUSSCGKSA-N 0 3 301.394 1.357 40 0 DDABHN Cc1noc(CCNCc2cc3cccc4c3n(c2=O)CCC4)n1 ZINC000072206573 257128250 /nfs/dbraw/zinc/12/82/50/257128250.db2.gz CCLRVVPALLINCU-UHFFFAOYSA-N 0 3 324.384 1.971 40 0 DDABHN COc1c2c(c([C@](C)(N)C(F)F)c3c1CN(C)CC3)OCO2 ZINC000252481621 257106134 /nfs/dbraw/zinc/10/61/34/257106134.db2.gz CPNHRZOXUMBUNK-HNNXBMFYSA-N 0 3 314.332 1.851 40 0 DDABHN O=CN1CCN(C(=O)c2ccc(CN3CCCC3)cc2)CC1 ZINC000010284835 406821583 /nfs/dbraw/zinc/82/15/83/406821583.db2.gz IAAOMEXKMHUGSH-UHFFFAOYSA-N 0 3 301.390 1.197 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000073742889 406892827 /nfs/dbraw/zinc/89/28/27/406892827.db2.gz XXYTXYSRMFRORM-AWEZNQCLSA-N 0 3 307.369 1.042 40 0 DDABHN COc1ccc(CN2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cc1 ZINC000096219704 407251939 /nfs/dbraw/zinc/25/19/39/407251939.db2.gz LQKPGVQIWDUWSZ-RDJZCZTQSA-N 0 3 314.389 1.893 40 0 DDABHN COCCN1C(=O)CC[C@]12CCCN(Cc1cnn(C)c1)CC2 ZINC000096047517 407226775 /nfs/dbraw/zinc/22/67/75/407226775.db2.gz BQNJFTIATOAVFR-KRWDZBQOSA-N 0 3 320.437 1.414 40 0 DDABHN COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2ccc(C)s2)O1 ZINC000096055576 407229954 /nfs/dbraw/zinc/22/99/54/407229954.db2.gz OLVPBPANDZFNIO-KFWWJZLASA-N 0 3 324.446 1.551 40 0 DDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21)C1CC1 ZINC000096083122 407236107 /nfs/dbraw/zinc/23/61/07/407236107.db2.gz CZJDQNFDLHJJOI-CWRNSKLLSA-N 0 3 304.390 1.643 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccsc1)CC[C@H]2OC ZINC000096108523 407237225 /nfs/dbraw/zinc/23/72/25/407237225.db2.gz IESDQBOTVCTTTC-RRFJBIMHSA-N 0 3 308.447 1.858 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(OC)cc1)CC[C@H]2OC ZINC000096108526 407237802 /nfs/dbraw/zinc/23/78/02/407237802.db2.gz OZRLFKAEVKHREW-GVDBMIGSSA-N 0 3 318.417 1.876 40 0 DDABHN COCCN1CC[C@]2(CCCN(Cc3ccnn3C)CC2)C1=O ZINC000108529346 407387291 /nfs/dbraw/zinc/38/72/91/407387291.db2.gz NFZMKOPUCLVYRQ-QGZVFWFLSA-N 0 3 320.437 1.271 40 0 DDABHN CNC(=O)c1cccc([C@H]2CNCCN2Cc2cscn2)c1 ZINC000257238339 407509027 /nfs/dbraw/zinc/50/90/27/407509027.db2.gz HKNAKLGRHDGOMM-OAHLLOKOSA-N 0 3 316.430 1.649 40 0 DDABHN CCOCC(=O)N1CC[C@@](O)(CN(C)Cc2ccc(F)cc2)C1 ZINC000257246400 407517115 /nfs/dbraw/zinc/51/71/15/407517115.db2.gz ITZDMZXVUQSLQP-QGZVFWFLSA-N 0 3 324.396 1.257 40 0 DDABHN CCS(=O)(=O)N1CCC(c2nnc([C@H]3CCCN3)o2)CC1 ZINC000257267456 407529303 /nfs/dbraw/zinc/52/93/03/407529303.db2.gz MHKICLPXKWVARU-LLVKDONJSA-N 0 3 314.411 1.023 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccco1 ZINC000248061266 408530724 /nfs/dbraw/zinc/53/07/24/408530724.db2.gz YYWQSROMSOGCRM-XIRDDKMYSA-N 0 3 308.422 1.837 40 0 DDABHN O=C(NC[C@@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000131136345 196142771 /nfs/dbraw/zinc/14/27/71/196142771.db2.gz MZJCSGOFVGAKLE-NSHDSACASA-N 0 3 304.268 1.303 40 0 DDABHN NCC(=O)N[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000252587173 222246288 /nfs/dbraw/zinc/24/62/88/222246288.db2.gz VZQIYOXPHSGNBZ-HDJSIYSDSA-N 0 3 305.378 1.299 40 0 DDABHN Cc1cccc([C@H]2NC(=N)Nc3nc(=O)c4ccccc4n32)c1 ZINC000022239097 281256749 /nfs/dbraw/zinc/25/67/49/281256749.db2.gz CLPHXYIMJAKNDI-AWEZNQCLSA-N 0 3 305.341 1.992 40 0 DDABHN CN(C(=O)OCc1ccccc1)C1CCN(C(=O)CN)CC1 ZINC000079412310 185170443 /nfs/dbraw/zinc/17/04/43/185170443.db2.gz KSXCIYMFVWEWGL-UHFFFAOYSA-N 0 3 305.378 1.205 40 0 DDABHN CCOC[C@H]1CN(CC2CC2)C2(CN(C(=O)C3CC(O)C3)C2)C1 ZINC000585093957 354803701 /nfs/dbraw/zinc/80/37/01/354803701.db2.gz SMIJFIGIOQZTMB-QQFBHYJXSA-N 0 3 322.449 1.107 40 0 DDABHN CCS(=O)(=O)NC1CC2(C1)CCN(Cc1ccccn1)CC2 ZINC000585103184 354807518 /nfs/dbraw/zinc/80/75/18/354807518.db2.gz LWSAMPHQYSAYJR-UHFFFAOYSA-N 0 3 323.462 1.766 40 0 DDABHN O=C(Cc1c[nH]c2ccccc12)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000585182249 354817774 /nfs/dbraw/zinc/81/77/74/354817774.db2.gz NSUBFLZWYRYGCZ-IAGOWNOFSA-N 0 3 313.401 1.378 40 0 DDABHN Cc1n[nH]cc1CN1C[C@H](c2ccccc2C)[C@@H](O)[C@H]1CO ZINC000585294036 354826658 /nfs/dbraw/zinc/82/66/58/354826658.db2.gz DAENUSKYPZNGDF-BRWVUGGUSA-N 0 3 301.390 1.348 40 0 DDABHN COC(=O)[C@]1(C)Cc2cc(OC(C)=O)c(OC(C)=O)cc2N1 ZINC000005459826 181246378 /nfs/dbraw/zinc/24/63/78/181246378.db2.gz ROHZHZUPUYTOST-HNNXBMFYSA-N 0 3 307.302 1.437 40 0 DDABHN CC(C)N1C[C@@H]2COCCN2C2(CN(C(=O)C(C)(C)C)C2)C1 ZINC000604381034 359744734 /nfs/dbraw/zinc/74/47/34/359744734.db2.gz CDKVEDZCDXTEFU-CQSZACIVSA-N 0 3 309.454 1.038 40 0 biogenic,in-vitro DDABHN COc1ccc([C@@H]2CNCCN2Cc2cnn(C)c2C)cc1 ZINC000257303264 203027003 /nfs/dbraw/zinc/02/70/03/203027003.db2.gz SGLGSGPKMDGCAC-KRWDZBQOSA-N 0 3 300.406 1.884 40 0 DDABHN [NH3+][C@H]1CN(Cc2ccccc2)C[C@H]1CCCc1cc(=O)[nH][n-]1 ZINC000257293757 203020074 /nfs/dbraw/zinc/02/00/74/203020074.db2.gz QRBMSVCURIHPNZ-ZBFHGGJFSA-N 0 3 300.406 1.897 40 0 DDABHN CN1CCC[C@@H]1C(=O)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257329389 203054031 /nfs/dbraw/zinc/05/40/31/203054031.db2.gz XJUNXAFKPKLKKT-OAHLLOKOSA-N 0 3 313.405 1.530 40 0 DDABHN CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)c3cn[nH]c3)C2)c1 ZINC000257317818 203042672 /nfs/dbraw/zinc/04/26/72/203042672.db2.gz VLGRHXMRCCWRJZ-NSHDSACASA-N 0 3 321.406 1.333 40 0 DDABHN CNCC(=O)N1CCC[C@]1(C)c1nc(C)cc(C(F)(F)F)n1 ZINC000257343496 203064108 /nfs/dbraw/zinc/06/41/08/203064108.db2.gz ZTGKEQFNWQYVSR-CYBMUJFWSA-N 0 3 316.327 1.861 40 0 DDABHN CN1CCC(c2nccnc2CNC(=O)[C@H]2CCCCO2)CC1 ZINC000257342534 203065657 /nfs/dbraw/zinc/06/56/57/203065657.db2.gz ZPBKPOCYKOESEO-OAHLLOKOSA-N 0 3 318.421 1.471 40 0 DDABHN CCc1ncc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cn1 ZINC000019523447 182128383 /nfs/dbraw/zinc/12/83/83/182128383.db2.gz WQWCLDCYPUEVNF-MRXNPFEDSA-N 0 3 324.432 1.812 40 0 DDABHN CN1C(=O)c2ccccc2O[C@H]2CN(C3CCOCC3)C[C@H]21 ZINC000514289376 257216780 /nfs/dbraw/zinc/21/67/80/257216780.db2.gz JFSJMRCZEVSNIS-ZBFHGGJFSA-N 0 3 302.374 1.383 40 0 biogenic,in-vitro DDABHN O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CCN(CC1CCC1)C2 ZINC000096038721 407224819 /nfs/dbraw/zinc/22/48/19/407224819.db2.gz UPPKGTIUEIBJDB-NVXWUHKLSA-N 0 3 308.422 1.126 40 0 DDABHN Cc1ccc(CN2C[C@@H]3[C@H](C2)OCCN3CCN(C)C)s1 ZINC000096054298 407229895 /nfs/dbraw/zinc/22/98/95/407229895.db2.gz AUNPDQLVULHEMD-CVEARBPZSA-N 0 3 309.479 1.503 40 0 DDABHN O=C(C1CCOCC1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096053844 407230062 /nfs/dbraw/zinc/23/00/62/407230062.db2.gz PXHDCEUJBTWEBH-HOTGVXAUSA-N 0 3 315.417 1.398 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccsc1)CCC2 ZINC000096059562 407231570 /nfs/dbraw/zinc/23/15/70/407231570.db2.gz AWLGLJISWGZRSQ-UHFFFAOYSA-N 0 3 318.446 1.772 40 0 DDABHN CN1CCO[C@@H]2CN(C(=O)CC3Cc4ccccc4C3)C[C@@H]2C1 ZINC000096107950 407237354 /nfs/dbraw/zinc/23/73/54/407237354.db2.gz CWGRILPVXSRLOM-ZWKOTPCHSA-N 0 3 314.429 1.581 40 0 DDABHN CN(C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)Cc1ccsc1 ZINC000096183820 407244768 /nfs/dbraw/zinc/24/47/68/407244768.db2.gz YWSZLJWBNREMPO-UONOGXRCSA-N 0 3 321.446 1.054 40 0 DDABHN CC(C)(C)OC(=O)N(C1CC1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177847 407307317 /nfs/dbraw/zinc/30/73/17/407307317.db2.gz RBNRXKZRLCSYSL-TXEJJXNPSA-N 0 3 311.426 1.772 40 0 DDABHN CS(=O)(=O)NC1CC2(C1)CCN(Cc1cccnc1)CC2 ZINC000108526706 407387049 /nfs/dbraw/zinc/38/70/49/407387049.db2.gz FNXPFZRNTVULTF-UHFFFAOYSA-N 0 3 309.435 1.375 40 0 DDABHN CNC(=O)[C@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257236664 407509734 /nfs/dbraw/zinc/50/97/34/407509734.db2.gz HDDJYJKGQPQFQZ-INIZCTEOSA-N 0 3 315.417 1.072 40 0 DDABHN Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)CN)n1 ZINC000257223509 407503844 /nfs/dbraw/zinc/50/38/44/407503844.db2.gz DXQXMGISKYISHL-GFCCVEGCSA-N 0 3 301.350 1.371 40 0 DDABHN Cc1oc2c(c1C(=O)N1C[C@@H](O)[C@H](N3CCCC3)C1)CCCC2 ZINC000257232827 407510234 /nfs/dbraw/zinc/51/02/34/407510234.db2.gz GMOSOGXCVNZGGB-HUUCEWRRSA-N 0 3 318.417 1.748 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCc2ccccn2)c1 ZINC000257246728 407516643 /nfs/dbraw/zinc/51/66/43/407516643.db2.gz IVOIMTQSHOFMTK-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(C)(=O)=O ZINC000218521104 407518228 /nfs/dbraw/zinc/51/82/28/407518228.db2.gz ZUJZVZIEQXDYDF-HZSPNIEDSA-N 0 3 301.383 1.318 40 0 DDABHN CN(C)CCOc1ccc(NC(=O)C2(C)COC(=O)OC2)cn1 ZINC000225914132 407613248 /nfs/dbraw/zinc/61/32/48/407613248.db2.gz BVMNEMNSEQSWNY-UHFFFAOYSA-N 0 3 323.349 1.134 40 0 DDABHN CC(C)Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329051909 410072738 /nfs/dbraw/zinc/07/27/38/410072738.db2.gz UYZQQQAXNJLZMH-UHFFFAOYSA-N 0 3 300.410 1.176 40 0 DDABHN CCN(C[C@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409722 276352633 /nfs/dbraw/zinc/35/26/33/276352633.db2.gz KBAOATBUUZVOSJ-QWHCGFSZSA-N 0 3 313.442 1.829 40 0 DDABHN CC(C)(C)OC(=O)N(C[C@@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079409397 278377800 /nfs/dbraw/zinc/37/78/00/278377800.db2.gz YYZREHXLHGCUTJ-GFCCVEGCSA-N 0 3 311.426 1.583 40 0 DDABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(C(=O)NC2CC2)C1 ZINC000097953355 332203429 /nfs/dbraw/zinc/20/34/29/332203429.db2.gz XYEHFCLTSUNXGO-GDBMZVCRSA-N 0 3 321.446 1.711 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccs1 ZINC000096041492 282109274 /nfs/dbraw/zinc/10/92/74/282109274.db2.gz PHMFWIVUEYFWIH-GZBFAFLISA-N 0 3 324.446 1.698 40 0 DDABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1coc2ccccc2c1=O ZINC000072324828 191123304 /nfs/dbraw/zinc/12/33/04/191123304.db2.gz FHHUJWKASGMLKV-BPLDGKMQSA-N 0 3 314.385 1.432 40 0 DDABHN OCCN1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 ZINC000072361630 191131826 /nfs/dbraw/zinc/13/18/26/191131826.db2.gz WSEATPCVDKQPQY-LBPRGKRZSA-N 0 3 300.366 1.182 40 0 DDABHN Cc1nc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)no1 ZINC000072367304 191137529 /nfs/dbraw/zinc/13/75/29/191137529.db2.gz ZXWFAWTXDUVHFI-INIZCTEOSA-N 0 3 306.410 1.958 40 0 DDABHN CNC(=O)C[C@]1(COC)CCCN1Cc1ccc(OC)c(F)c1 ZINC000585279085 354822125 /nfs/dbraw/zinc/82/21/25/354822125.db2.gz SQKZNABURUDVNI-KRWDZBQOSA-N 0 3 324.396 1.951 40 0 DDABHN O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1cc(F)ccc1F ZINC000585284315 354823416 /nfs/dbraw/zinc/82/34/16/354823416.db2.gz WYIFWXNEOQEJFO-HOTGVXAUSA-N 0 3 313.344 1.694 40 0 DDABHN CN(C)CCNc1cccc([C@H]2CCCN2S(C)(=O)=O)n1 ZINC000257303022 203027330 /nfs/dbraw/zinc/02/73/30/203027330.db2.gz SFLNMQMRXOZHOL-CYBMUJFWSA-N 0 3 312.439 1.152 40 0 DDABHN Cc1c(C(=O)N2CC[C@@](O)(CN(C)C)C2)c2ccccc2n1C ZINC000257294052 203019687 /nfs/dbraw/zinc/01/96/87/203019687.db2.gz QSGDXUXRFGGVNY-GOSISDBHSA-N 0 3 315.417 1.625 40 0 DDABHN CC(=O)NCc1ccnc([C@@H]2CCCN2CC2CCOCC2)n1 ZINC000257327417 203051164 /nfs/dbraw/zinc/05/11/64/203051164.db2.gz XBGDLMFUORORNB-INIZCTEOSA-N 0 3 318.421 1.676 40 0 DDABHN NCc1cn(-c2ccccc2C(=O)NCc2ccncc2)cn1 ZINC000257314482 203039249 /nfs/dbraw/zinc/03/92/49/203039249.db2.gz UXEMAZFONTXOSJ-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN CN(C)[C@@H]1CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]1O ZINC000257323755 203048141 /nfs/dbraw/zinc/04/81/41/203048141.db2.gz WLSAEDDDNATOPY-CHWSQXEVSA-N 0 3 300.761 1.155 40 0 DDABHN COCCN1CCC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257343045 203064755 /nfs/dbraw/zinc/06/47/55/203064755.db2.gz ZRFZLDLJQLUZHZ-CYBMUJFWSA-N 0 3 301.394 1.768 40 0 DDABHN O=C(COc1ccc(CN2CC[C@@H](CO)C2)cc1)N1CCCC1 ZINC000013995813 181917813 /nfs/dbraw/zinc/91/78/13/181917813.db2.gz OSUQPRVBAKUAML-MRXNPFEDSA-N 0 3 318.417 1.502 40 0 DDABHN Cc1ccc(C)c2[nH]c(=O)c(CNCCN3CCOCC3)cc12 ZINC000022921256 182341004 /nfs/dbraw/zinc/34/10/04/182341004.db2.gz OVYLIAUGWLTLCP-UHFFFAOYSA-N 0 3 315.417 1.567 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@@]1(CN)CO ZINC000218413149 257130884 /nfs/dbraw/zinc/13/08/84/257130884.db2.gz GGJUAAZIIXMRGQ-YNEHKIRRSA-N 0 3 303.811 1.178 40 0 DDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3cccs3)[C@H]2O)CC1 ZINC000514289288 257216767 /nfs/dbraw/zinc/21/67/67/257216767.db2.gz PEJSWIMHGQDEDS-KCQAQPDRSA-N 0 3 324.446 1.338 40 0 biogenic,in-vitro DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000078701476 407042395 /nfs/dbraw/zinc/04/23/95/407042395.db2.gz YSZKQPXVGXTUGO-CYBMUJFWSA-N 0 3 307.369 1.673 40 0 DDABHN CC(C)CN1C[C@H]2C[C@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000096253311 407257369 /nfs/dbraw/zinc/25/73/69/407257369.db2.gz CEFQRSJFTNYCGW-OWCLPIDISA-N 0 3 303.406 1.443 40 0 DDABHN COCCN1CC[C@@]2(C1)CCCN(C(=O)c1cccnc1)C2 ZINC000096062983 407232755 /nfs/dbraw/zinc/23/27/55/407232755.db2.gz NMOJRZDSVVZTDD-QGZVFWFLSA-N 0 3 303.406 1.656 40 0 DDABHN COCC(=O)N1CCC[C@]2(CCCN2Cc2ccncc2)C1 ZINC000096071488 407233979 /nfs/dbraw/zinc/23/39/79/407233979.db2.gz XXRGSRVXXDGTGQ-KRWDZBQOSA-N 0 3 303.406 1.685 40 0 DDABHN CC(C)(N)C(=O)N1CCC2(CO[C@H](Cc3ccccn3)C2)CC1 ZINC000257210876 407496064 /nfs/dbraw/zinc/49/60/64/407496064.db2.gz BWMSMPPVHLFWKN-OAHLLOKOSA-N 0 3 317.433 1.759 40 0 DDABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccnc2)c1 ZINC000257239381 407514777 /nfs/dbraw/zinc/51/47/77/407514777.db2.gz HPBCFVKUDDATBB-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccccc2N)C1 ZINC000038541215 277204268 /nfs/dbraw/zinc/20/42/68/277204268.db2.gz RPSOEEVYCCKIDJ-WFASDCNBSA-N 0 3 320.437 1.868 40 0 DDABHN NCC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1 ZINC000257283565 303365466 /nfs/dbraw/zinc/36/54/66/303365466.db2.gz OYVQDQUKASZHRM-CQSZACIVSA-N 0 3 311.389 1.738 40 0 DDABHN CC(C)(C)OC(=O)N1CCC(CN(C(=O)CN)C2CC2)CC1 ZINC000079391159 185168113 /nfs/dbraw/zinc/16/81/13/185168113.db2.gz ORFSNLOAIUJDCP-UHFFFAOYSA-N 0 3 311.426 1.583 40 0 DDABHN CN(C)C(=O)CC[C@]1(O)CCCN(CCOc2ccccc2)C1 ZINC000585277041 354820225 /nfs/dbraw/zinc/82/02/25/354820225.db2.gz JLWYNZYQVBESOV-GOSISDBHSA-N 0 3 320.433 1.761 40 0 DDABHN c1cncc(CCc2nc(N3CCCC3)nc3c2CNCC3)c1 ZINC000019338534 182116892 /nfs/dbraw/zinc/11/68/92/182116892.db2.gz WZVHUFHYMKAZMK-UHFFFAOYSA-N 0 3 309.417 1.903 40 0 DDABHN Cc1ccc(/C=C/C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000022933765 182341936 /nfs/dbraw/zinc/34/19/36/182341936.db2.gz XGLXGZVOUKWTNA-CMDGGOBGSA-N 0 3 301.434 1.762 40 0 DDABHN CNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 ZINC000096038760 407224194 /nfs/dbraw/zinc/22/41/94/407224194.db2.gz PERKUIGQRULTKL-NVXWUHKLSA-N 0 3 318.373 1.142 40 0 DDABHN CN(C)C(=O)CN1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096038526 407224380 /nfs/dbraw/zinc/22/43/80/407224380.db2.gz LXLSBQOXYAKCGP-GASCZTMLSA-N 0 3 305.397 1.278 40 0 DDABHN O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(CC3CC3)C[C@H]2O1 ZINC000096042722 407226430 /nfs/dbraw/zinc/22/64/30/407226430.db2.gz JUJAOAOJNVWUPM-GVDBMIGSSA-N 0 3 322.449 1.419 40 0 DDABHN Cc1noc(C)c1CN1CC[C@@H]2OC[C@H](C(=O)N(C)C)C[C@@H]2C1 ZINC000096065996 407233218 /nfs/dbraw/zinc/23/32/18/407233218.db2.gz XBGQLWAZVLSWSM-FMKPAKJESA-N 0 3 321.421 1.607 40 0 DDABHN CN(C)C(=O)COC[C@]12COC[C@H]1CN(Cc1cccs1)C2 ZINC000096108689 407238147 /nfs/dbraw/zinc/23/81/47/407238147.db2.gz IGWFLHGNWVRIAR-CJNGLKHVSA-N 0 3 324.446 1.301 40 0 DDABHN COc1cccc(C(=O)N2CCOC[C@@]3(CCN(C)C3)C2)c1 ZINC000096201955 407248712 /nfs/dbraw/zinc/24/87/12/407248712.db2.gz IJVKETUTSADRJJ-QGZVFWFLSA-N 0 3 304.390 1.490 40 0 DDABHN Cc1nccc([C@H]2CN(C(=O)CN(C)C3CCCC3)CCO2)n1 ZINC000257216818 407500310 /nfs/dbraw/zinc/50/03/10/407500310.db2.gz CWEYGIXJGMMUSY-MRXNPFEDSA-N 0 3 318.421 1.559 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@@]1(CN)CO ZINC000218415007 407518627 /nfs/dbraw/zinc/51/86/27/407518627.db2.gz ZVOWQZRRRJGKPV-FRRDWIJNSA-N 0 3 303.811 1.178 40 0 DDABHN CN1CCC[C@H]1C(=O)N1CCC(c2ccnc3ccnn32)CC1 ZINC000257264144 407526122 /nfs/dbraw/zinc/52/61/22/407526122.db2.gz LTCIPKSHZSBBLT-HNNXBMFYSA-N 0 3 313.405 1.530 40 0 DDABHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2CC1CC1)c1cnccn1 ZINC000247467283 408476189 /nfs/dbraw/zinc/47/61/89/408476189.db2.gz DBAWANKCMMSDPU-IMJJTQAJSA-N 0 3 316.405 1.096 40 0 DDABHN CN(C)CCOCc1nnn2c1CN(Cc1ccco1)CCC2 ZINC000096058819 282109260 /nfs/dbraw/zinc/10/92/60/282109260.db2.gz LAZXZNFPLAJPIM-UHFFFAOYSA-N 0 3 319.409 1.355 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OCc1ccccc1 ZINC000079412746 185170397 /nfs/dbraw/zinc/17/03/97/185170397.db2.gz KONBXNRWYUKTKY-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN C[C@@H]1Cc2cc([C@@H](O)CN3CCCC3)ccc2N1S(C)(=O)=O ZINC000012146843 352146289 /nfs/dbraw/zinc/14/62/89/352146289.db2.gz HDWPFWHTOXHISQ-WBMJQRKESA-N 0 3 324.446 1.526 40 0 DDABHN CCc1nc(C)c(CN2CCC[C@]2(COC)CC(=O)NC)[nH]1 ZINC000585278399 354822395 /nfs/dbraw/zinc/82/23/95/354822395.db2.gz SLWXQKUKBXRNJF-MRXNPFEDSA-N 0 3 308.426 1.398 40 0 DDABHN Cc1ccc(Nc2nccc([C@H]3CCN(C(=O)CN)C3)n2)nc1 ZINC000257293829 203019364 /nfs/dbraw/zinc/01/93/64/203019364.db2.gz QRILKDWXMFYMHX-LBPRGKRZSA-N 0 3 312.377 1.198 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)c2ccc(N3CCCC3)cc2)C1 ZINC000257328329 203051653 /nfs/dbraw/zinc/05/16/53/203051653.db2.gz XFEDQSIZWXNXRY-GOSISDBHSA-N 0 3 317.433 1.425 40 0 DDABHN Nc1cc(CC[C@H]2CN(CC3(O)CCCCC3)CCO2)ccn1 ZINC000257317216 203041771 /nfs/dbraw/zinc/04/17/71/203041771.db2.gz VIVSGGIHOOIGNC-INIZCTEOSA-N 0 3 319.449 1.992 40 0 DDABHN CN(C)C(=O)CO[C@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047812 193501540 /nfs/dbraw/zinc/50/15/40/193501540.db2.gz ZXRLOGNVSRMSGU-OAHLLOKOSA-N 0 3 322.405 1.508 40 0 DDABHN O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000063526860 184284628 /nfs/dbraw/zinc/28/46/28/184284628.db2.gz SKXSKLVLSIALGI-IYBDPMFKSA-N 0 3 308.385 1.681 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2cccc(F)c2)[C@]1(CN)COC ZINC000242688161 257120054 /nfs/dbraw/zinc/12/00/54/257120054.db2.gz VIEAGEMYHAWIPR-MCIONIFRSA-N 0 3 301.383 1.318 40 0 DDABHN COc1cc(OC)c([C@H](CN)N2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000062712679 257128955 /nfs/dbraw/zinc/12/89/55/257128955.db2.gz IUPYXDQHHMQQBS-SCRDCRAPSA-N 0 3 324.421 1.821 40 0 DDABHN c1ccc(CN2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096040615 407225050 /nfs/dbraw/zinc/22/50/50/407225050.db2.gz WHMOCCPANRMUNS-OTWHNJEPSA-N 0 3 316.445 1.998 40 0 DDABHN Cn1cc(CN2C[C@@H](N3CCCC3)[C@H]3OCCC[C@H]3C2)cn1 ZINC000096040595 407225461 /nfs/dbraw/zinc/22/54/61/407225461.db2.gz GOQBNAWGVGYSTR-BBWFWOEESA-N 0 3 304.438 1.495 40 0 DDABHN Cn1cc(CN2CCC3(C[C@@H](c4cnn(C)c4)CO3)CC2)cn1 ZINC000096047793 407227322 /nfs/dbraw/zinc/22/73/22/407227322.db2.gz XJVWBHMAFFLPML-OAHLLOKOSA-N 0 3 315.421 1.692 40 0 DDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 ZINC000096052295 407228428 /nfs/dbraw/zinc/22/84/28/407228428.db2.gz OWGGTNZSCUXPGU-IRXDYDNUSA-N 0 3 305.422 1.393 40 0 DDABHN Cc1ccc(CN2CCO[C@@]3(C2)COCCN(C(C)C)C3)o1 ZINC000096049726 407228629 /nfs/dbraw/zinc/22/86/29/407228629.db2.gz PXVBFGQOBVRVSE-QGZVFWFLSA-N 0 3 308.422 1.900 40 0 DDABHN O=C(C[C@@H]1COC[C@H]2CN(Cc3ccco3)C[C@H]21)N1CCCO1 ZINC000096057301 407231063 /nfs/dbraw/zinc/23/10/63/407231063.db2.gz NIAZGKSLUQWISD-FMKPAKJESA-N 0 3 320.389 1.528 40 0 DDABHN COCCn1c(=O)ccc2c1CC[C@@H](NCc1nccs1)C2 ZINC000096059346 407231746 /nfs/dbraw/zinc/23/17/46/407231746.db2.gz CJPMVKAZSQRWHK-CYBMUJFWSA-N 0 3 319.430 1.598 40 0 DDABHN O[C@H]1CCN(Cc2ccc3c(c2)OCO3)[C@H]1Cc1cccnc1 ZINC000096200436 407248968 /nfs/dbraw/zinc/24/89/68/407248968.db2.gz JJTPRODAQSSKMX-HOTGVXAUSA-N 0 3 312.369 1.988 40 0 DDABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)NC1CC1 ZINC000096206544 407249778 /nfs/dbraw/zinc/24/97/78/407249778.db2.gz DCVQVSFSJSQCFY-FVQBIDKESA-N 0 3 304.390 1.785 40 0 DDABHN CCS(=O)(=O)N1CCC(c2nnc([C@@H]3CCCN3)o2)CC1 ZINC000257267457 407528523 /nfs/dbraw/zinc/52/85/23/407528523.db2.gz MHKICLPXKWVARU-NSHDSACASA-N 0 3 314.411 1.023 40 0 DDABHN CS(=O)(=O)N1CCC[C@@]12CCN(C1CCCCC1)C[C@@H]2O ZINC000257332199 407534154 /nfs/dbraw/zinc/53/41/54/407534154.db2.gz XWFMVNYWMUHFOY-GJZGRUSLSA-N 0 3 316.467 1.180 40 0 DDABHN COCCN1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000247907964 408514817 /nfs/dbraw/zinc/51/48/17/408514817.db2.gz XMFITNAHAOLRIU-SJORKVTESA-N 0 3 306.406 1.978 40 0 DDABHN CC(C)Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000329051930 410071586 /nfs/dbraw/zinc/07/15/86/410071586.db2.gz UZTIAEOYZVALCJ-UHFFFAOYSA-N 0 3 300.410 1.176 40 0 DDABHN C[C@@H]1C[C@@H](NC(=O)[C@](C)(O)CCc2ccccc2)CCN1C ZINC000330389267 410662379 /nfs/dbraw/zinc/66/23/79/410662379.db2.gz DXIMROQBLROYKM-UWWQBHOKSA-N 0 3 304.434 1.969 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccoc1 ZINC000096041486 282109143 /nfs/dbraw/zinc/10/91/43/282109143.db2.gz QBLAVODYMJLBRA-RRFJBIMHSA-N 0 3 308.378 1.230 40 0 DDABHN CCN(C[C@@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412373 185170401 /nfs/dbraw/zinc/17/04/01/185170401.db2.gz XKJVZISRCCHVIA-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN CN1C[C@@H]2CN(C(=O)CCc3ccccc3)CCN2C(C)(C)C1 ZINC000253400068 186307134 /nfs/dbraw/zinc/30/71/34/186307134.db2.gz KLLMDHAWJKNLEZ-QGZVFWFLSA-N 0 3 315.461 1.856 40 0 biogenic,in-vitro DDABHN CC(=O)C1[C@H](c2sccc2C)NC(=O)N[C@@]1(O)C(F)(F)F ZINC000004387638 181106111 /nfs/dbraw/zinc/10/61/11/181106111.db2.gz HFTMWFJZNYYHAM-RNSXUZJQSA-N 0 3 322.308 1.867 40 0 DDABHN Cc1ccccc1C[C@H]1CCN(C(=O)/C=C/CN(C)C)C[C@@H]1O ZINC000585289066 354824912 /nfs/dbraw/zinc/82/49/12/354824912.db2.gz FGBCALYWGSWRKY-LJFWHQRKSA-N 0 3 316.445 1.865 40 0 DDABHN NC1(C(=O)NCc2ccnc([C@H]3CCCOC3)n2)CCCC1 ZINC000257303227 203027238 /nfs/dbraw/zinc/02/72/38/203027238.db2.gz SGGUWSUIZUOXPV-LBPRGKRZSA-N 0 3 304.394 1.258 40 0 DDABHN Cc1nc(CN2C(=O)COC3(CCN(C)CC3)[C@@H]2C)cs1 ZINC000096201591 193577830 /nfs/dbraw/zinc/57/78/30/193577830.db2.gz MOKDRCLXKJNRHH-NSHDSACASA-N 0 3 309.435 1.663 40 0 DDABHN CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)C1 ZINC000019501312 182125885 /nfs/dbraw/zinc/12/58/85/182125885.db2.gz PQFWDOYHRKPOLV-GFCCVEGCSA-N 0 3 318.421 1.676 40 0 DDABHN CCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)C1 ZINC000019501312 182125887 /nfs/dbraw/zinc/12/58/87/182125887.db2.gz PQFWDOYHRKPOLV-GFCCVEGCSA-N 0 3 318.421 1.676 40 0 DDABHN CCN(C[C@@H]1CCCN(C(=O)[C@H](C)N)C1)C(=O)OC(C)(C)C ZINC000079409720 285022358 /nfs/dbraw/zinc/02/23/58/285022358.db2.gz KBAOATBUUZVOSJ-STQMWFEESA-N 0 3 313.442 1.829 40 0 DDABHN NC[C@@]1(N)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 ZINC000242648305 257120608 /nfs/dbraw/zinc/12/06/08/257120608.db2.gz QRJAPCLRNUHVBA-OAGGEKHMSA-N 0 3 320.389 1.422 40 0 DDABHN CC1CCN(C[C@@H]2OC[C@H](NC(=O)c3ccccc3)[C@H]2O)CC1 ZINC000514289601 257215232 /nfs/dbraw/zinc/21/52/32/257215232.db2.gz WIOQQMYOWCTLAG-YESZJQIVSA-N 0 3 318.417 1.277 40 0 biogenic,in-vitro DDABHN c1cc2n(n1)[C@@H](CN1CCCCC1)CN(C1CCOCC1)C2 ZINC000253603671 285462893 /nfs/dbraw/zinc/46/28/93/285462893.db2.gz JDNJOYCKWBKORW-KRWDZBQOSA-N 0 3 304.438 1.905 40 0 DDABHN Cn1cncc1-c1nnc([C@H]2CCN(Cc3cccnc3)C2)o1 ZINC000049170483 407116343 /nfs/dbraw/zinc/11/63/43/407116343.db2.gz XFDZCDNOCJALNF-ZDUSSCGKSA-N 0 3 310.361 1.855 40 0 biogenic,in-vitro DDABHN CN1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228725 407253639 /nfs/dbraw/zinc/25/36/39/407253639.db2.gz JOHPSTBXTDOWFO-INIZCTEOSA-N 0 3 308.447 1.861 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000096249603 407256329 /nfs/dbraw/zinc/25/63/29/407256329.db2.gz HMGHOPJVAFQXEN-SJLPKXTDSA-N 0 3 322.424 1.995 40 0 DDABHN CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccncc1)C2 ZINC000096109168 407237412 /nfs/dbraw/zinc/23/74/12/407237412.db2.gz YTBWZURWPBKTSR-AEFFLSMTSA-N 0 3 317.433 1.789 40 0 DDABHN COCCN1CCO[C@@H]2CN(Cc3ccccc3F)C[C@@H]2C1 ZINC000096107979 407237527 /nfs/dbraw/zinc/23/75/27/407237527.db2.gz RZIWOBNTOHIAOJ-DOTOQJQBSA-N 0 3 308.397 1.605 40 0 DDABHN O=C(NC[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCC1 ZINC000096108303 407237532 /nfs/dbraw/zinc/23/75/32/407237532.db2.gz MLLVGYRHQDWZTM-PBHICJAKSA-N 0 3 319.405 1.533 40 0 DDABHN COc1cccc(CN2CC[C@@H]3CNS(=O)(=O)[C@@H]3CC2)c1 ZINC000096145347 407240545 /nfs/dbraw/zinc/24/05/45/407240545.db2.gz JTIBEUTXUYJSQN-UKRRQHHQSA-N 0 3 310.419 1.209 40 0 DDABHN Cn1cccc1CN1C[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]2C1 ZINC000096182232 407243726 /nfs/dbraw/zinc/24/37/26/407243726.db2.gz JGFYFXZZBTYXGB-IYBDPMFKSA-N 0 3 310.401 1.624 40 0 DDABHN C[C@@H]1CN(Cc2nccs2)C[C@]12CCN(CCN(C)C)C2=O ZINC000096201644 407248633 /nfs/dbraw/zinc/24/86/33/407248633.db2.gz ULRZNEWIYBHQMV-CZUORRHYSA-N 0 3 322.478 1.375 40 0 DDABHN CCc1nccn1CCC(=O)N1CC[C@@H](c2[nH]ncc2C)C1 ZINC000257244791 407514635 /nfs/dbraw/zinc/51/46/35/407514635.db2.gz IMTODYDYTJZSFK-CYBMUJFWSA-N 0 3 301.394 1.883 40 0 DDABHN CCN1C(=O)CC[C@@H](C(=O)NCCN(C)C)[C@@H]1c1ccccc1 ZINC000257325999 276145851 /nfs/dbraw/zinc/14/58/51/276145851.db2.gz WVIRYXIMVMLWSR-WBVHZDCISA-N 0 3 317.433 1.664 40 0 DDABHN CN(C)CCNC(=S)Nc1cccc(N2CCCC2=O)c1 ZINC000018167973 276791298 /nfs/dbraw/zinc/79/12/98/276791298.db2.gz NVCSAEMUKZINMW-UHFFFAOYSA-N 0 3 306.435 1.661 40 0 DDABHN C[C@H](N)C(=O)N(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000079391331 185168203 /nfs/dbraw/zinc/16/82/03/185168203.db2.gz OTJJLGJZYUAPBM-NWDGAFQWSA-N 0 3 311.426 1.582 40 0 DDABHN C[C@H](N)C(=O)N[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393037 185168718 /nfs/dbraw/zinc/16/87/18/185168718.db2.gz AVEKLUSFGQYLRX-GXTWGEPZSA-N 0 3 305.378 1.251 40 0 DDABHN CCN(C(=O)[C@H](C)N)[C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393110 185168811 /nfs/dbraw/zinc/16/88/11/185168811.db2.gz LBMAWUIRMVOMKZ-ZFWWWQNUSA-N 0 3 319.405 1.593 40 0 DDABHN COCCN1CCC(c2cnc(N3CCOC3=O)cn2)CC1 ZINC000585178797 354817720 /nfs/dbraw/zinc/81/77/20/354817720.db2.gz HBXXNVLFUODWGA-UHFFFAOYSA-N 0 3 306.366 1.259 40 0 DDABHN Cc1c(C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)c2ccccc2n1C ZINC000585182242 354817754 /nfs/dbraw/zinc/81/77/54/354817754.db2.gz ASZKIIPDKBMIGF-HUUCEWRRSA-N 0 3 301.390 1.234 40 0 DDABHN CO[C@@H]1COC[C@@H](N(C)Cc2cccc(-n3cccc3)c2)[C@@H]1O ZINC000585291294 354826269 /nfs/dbraw/zinc/82/62/69/354826269.db2.gz OOSZIGJIGVKCDY-KURKYZTESA-N 0 3 316.401 1.684 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218447825 257130686 /nfs/dbraw/zinc/13/06/86/257130686.db2.gz HSKRTJBWZWQIEF-MELADBBJSA-N 0 3 317.838 1.832 40 0 DDABHN O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1NCc1ccccn1 ZINC000036739958 406982562 /nfs/dbraw/zinc/98/25/62/406982562.db2.gz HXQVXGNOTVWVHN-QZTJIDSGSA-N 0 3 315.392 1.946 40 0 DDABHN Cc1cnc(N2CCC[C@]3(CCCN3CC(=O)N(C)C)C2)nc1 ZINC000096214886 407251305 /nfs/dbraw/zinc/25/13/05/407251305.db2.gz MLZAXIHRBSHTLB-KRWDZBQOSA-N 0 3 317.437 1.308 40 0 DDABHN O=C1CCC2(CCN([C@@H]3CCOC3)CC2)N1Cc1cccnc1 ZINC000096228153 407253671 /nfs/dbraw/zinc/25/36/71/407253671.db2.gz BFTJOMAYKGRBSQ-MRXNPFEDSA-N 0 3 315.417 1.828 40 0 DDABHN CN1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 ZINC000096228724 407253885 /nfs/dbraw/zinc/25/38/85/407253885.db2.gz JOHPSTBXTDOWFO-MRXNPFEDSA-N 0 3 308.447 1.861 40 0 DDABHN CC(C)CN1CCO[C@@H]2CCN(C(=O)c3ccno3)CC[C@H]21 ZINC000096249251 407256125 /nfs/dbraw/zinc/25/61/25/407256125.db2.gz WZPHSDJZFUWYFQ-ZIAGYGMSSA-N 0 3 307.394 1.636 40 0 DDABHN Cn1cc(N2CC[C@H]3CN(Cc4ccccn4)C[C@@H]3C2=O)cn1 ZINC000096249158 407256394 /nfs/dbraw/zinc/25/63/94/407256394.db2.gz COJKDCRZHCVKCZ-BBRMVZONSA-N 0 3 311.389 1.300 40 0 DDABHN CN(C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccncc1 ZINC000096041489 407225421 /nfs/dbraw/zinc/22/54/21/407225421.db2.gz WJAVFLSQMOOMFT-ARFHVFGLSA-N 0 3 319.405 1.032 40 0 DDABHN Cc1cccc(CN2CC[C@H]3OCC[C@@H](C(=O)N(C)C)[C@H]3C2)n1 ZINC000096043415 407226675 /nfs/dbraw/zinc/22/66/75/407226675.db2.gz WTCXGCXQNIUCST-BRWVUGGUSA-N 0 3 317.433 1.705 40 0 DDABHN CC(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CC12CCOCC2 ZINC000096052105 407228026 /nfs/dbraw/zinc/22/80/26/407228026.db2.gz VVGSCGVNVXQTQS-INIZCTEOSA-N 0 3 317.433 1.835 40 0 DDABHN Cc1ccc(CN2CCCn3c(=O)cc(CN(C)C)nc3C2)o1 ZINC000096059564 407232022 /nfs/dbraw/zinc/23/20/22/407232022.db2.gz CKGDKHOWDYDFNI-UHFFFAOYSA-N 0 3 316.405 1.612 40 0 DDABHN CN1CCOC[C@@]2(CCCN(C(=O)c3ccncc3F)C2)C1 ZINC000096076198 407234710 /nfs/dbraw/zinc/23/47/10/407234710.db2.gz ZLZLRMLYQOHJAP-INIZCTEOSA-N 0 3 307.369 1.405 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201973 407248577 /nfs/dbraw/zinc/24/85/77/407248577.db2.gz PNVNEWMODIMBTL-MRXNPFEDSA-N 0 3 310.463 1.919 40 0 DDABHN CN1CC[C@]2(C1)COCCN(C(=O)NCc1ccccc1)C2 ZINC000096201967 407248668 /nfs/dbraw/zinc/24/86/68/407248668.db2.gz PYXCPGHTOWINCX-QGZVFWFLSA-N 0 3 303.406 1.550 40 0 DDABHN CN(C)C(=O)CN1CCC[C@@]12CCCN(Cc1ccccn1)C2 ZINC000096214878 407250387 /nfs/dbraw/zinc/25/03/87/407250387.db2.gz MZNVFQUREBMVEO-GOSISDBHSA-N 0 3 316.449 1.600 40 0 DDABHN C[C@@]12C[C@H](c3ccccc3)N(C(=O)CN)[C@@H]1CCC[C@@H](O)[C@@H]2O ZINC000257209428 407498268 /nfs/dbraw/zinc/49/82/68/407498268.db2.gz BQIGIVXKWASAIJ-IFCWYPFCSA-N 0 3 318.417 1.199 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)COC ZINC000218467418 407518910 /nfs/dbraw/zinc/51/89/10/407518910.db2.gz FQJUQKKVUJOQFL-MELADBBJSA-N 0 3 317.838 1.832 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218568106 407523163 /nfs/dbraw/zinc/52/31/63/407523163.db2.gz CNDNXYYGASASDE-SOUVJXGZSA-N 0 3 315.410 1.708 40 0 DDABHN CNc1cncc(C[C@H]2COCCN(C3CCOCC3)C2)n1 ZINC000257264394 407525691 /nfs/dbraw/zinc/52/56/91/407525691.db2.gz LUEASNKMWMQSRO-CYBMUJFWSA-N 0 3 306.410 1.188 40 0 DDABHN Cn1ccnc1CN1CC[C@@H]2[C@H](CC1)OCCN2CC1CC1 ZINC000248103582 408534212 /nfs/dbraw/zinc/53/42/12/408534212.db2.gz FKIFHMHNOSPOFO-CVEARBPZSA-N 0 3 304.438 1.495 40 0 DDABHN COc1ccc([C@H]2CNCCN2C(=O)CN2CCCC2)cc1 ZINC000257201609 295250391 /nfs/dbraw/zinc/25/03/91/295250391.db2.gz AIHUJJXAEAXMJY-MRXNPFEDSA-N 0 3 303.406 1.264 40 0 DDABHN C[C@H](N)C(=O)N1CC[C@H](CN(C)C(=O)OCc2ccccc2)C1 ZINC000079412753 185170243 /nfs/dbraw/zinc/17/02/43/185170243.db2.gz AXTAPLXZZHJEDP-DZGCQCFKSA-N 0 3 319.405 1.451 40 0 DDABHN CN(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CN)C1 ZINC000079412304 185170554 /nfs/dbraw/zinc/17/05/54/185170554.db2.gz FPFKKHFPYSAYRQ-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000079391381 185168125 /nfs/dbraw/zinc/16/81/25/185168125.db2.gz ARTBZQRCZJEYHG-OLZOCXBDSA-N 0 3 313.442 1.876 40 0 DDABHN CN1CCC[C@@H](c2cccc(N3CCC(C(N)=O)CC3)n2)C1 ZINC000072364953 191134402 /nfs/dbraw/zinc/13/44/02/191134402.db2.gz ADTNDVMZAWXMEO-CQSZACIVSA-N 0 3 302.422 1.593 40 0 DDABHN O[C@H]1CCCN(Cc2cc(-c3ccccc3)cn3nnnc23)C1 ZINC000072392380 191147270 /nfs/dbraw/zinc/14/72/70/191147270.db2.gz HCJNWVMGYPREGU-INIZCTEOSA-N 0 3 309.373 1.748 40 0 DDABHN NCCN1C(=O)c2ccccc2[C@]1(O)c1ccc(Cl)cc1 ZINC000005648810 283436092 /nfs/dbraw/zinc/43/60/92/283436092.db2.gz KJJNDJAXTRLOOD-MRXNPFEDSA-N 0 3 302.761 1.948 40 0 in-vitro DDABHN CC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CC[NH+](C)CC3)n2)C1 ZINC000019017003 182103919 /nfs/dbraw/zinc/10/39/19/182103919.db2.gz BNXIVFIILDIYEW-AWEZNQCLSA-N 0 3 318.421 1.305 40 0 DDABHN O=C(c1ccccn1)N1CCCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019400167 296263575 /nfs/dbraw/zinc/26/35/75/296263575.db2.gz KTKDWSHOSPOUOK-INIZCTEOSA-N 0 3 323.400 1.885 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)CC ZINC000252514462 257106619 /nfs/dbraw/zinc/10/66/19/257106619.db2.gz CNDNXYYGASASDE-RRFJBIMHSA-N 0 3 315.410 1.708 40 0 DDABHN c1ccc(N2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096063130 285483218 /nfs/dbraw/zinc/48/32/18/285483218.db2.gz PFYYBVIYEFHOSZ-OAHLLOKOSA-N 0 3 303.406 1.542 40 0 DDABHN COc1ccc(/C=C/C(=O)NCCN(C)C)c(OC)c1OC ZINC000010111508 406818864 /nfs/dbraw/zinc/81/88/64/406818864.db2.gz VXOCGQLQBBTLGX-VQHVLOKHSA-N 0 3 308.378 1.403 40 0 DDABHN Cn1cc(N2CC[C@@]3(CCN(Cc4ccco4)C3)C2=O)cn1 ZINC000096050508 407228103 /nfs/dbraw/zinc/22/81/03/407228103.db2.gz GDLNXGWJUREPPG-MRXNPFEDSA-N 0 3 300.362 1.642 40 0 DDABHN COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)cc1 ZINC000096057472 407230818 /nfs/dbraw/zinc/23/08/18/407230818.db2.gz PCHLPJABMVTLSQ-BRWVUGGUSA-N 0 3 318.417 1.905 40 0 DDABHN O=C(NCC1CCOCC1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 ZINC000096066101 407232821 /nfs/dbraw/zinc/23/28/21/407232821.db2.gz BMCNZIDNCQBLTO-USXIJHARSA-N 0 3 322.449 1.561 40 0 DDABHN CN1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC000096064414 407232904 /nfs/dbraw/zinc/23/29/04/407232904.db2.gz GIJPUYYCPNPWHC-AGIUHOORSA-N 0 3 304.423 1.334 40 0 DDABHN O=C(NCc1ccco1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 ZINC000096064864 407233206 /nfs/dbraw/zinc/23/32/06/407233206.db2.gz ZABNLQLGFHXLPW-NVXWUHKLSA-N 0 3 304.390 1.929 40 0 DDABHN Cn1cnc(C(=O)N2CC3(C2)CCN(Cc2ccccc2)C3)c1 ZINC000096070798 407233767 /nfs/dbraw/zinc/23/37/67/407233767.db2.gz MKBMSIZBGNIOTM-UHFFFAOYSA-N 0 3 310.401 1.768 40 0 DDABHN COCC(=O)N1CCC[C@@]2(CCCN2Cc2ccncc2)C1 ZINC000096071489 407234161 /nfs/dbraw/zinc/23/41/61/407234161.db2.gz XXRGSRVXXDGTGQ-QGZVFWFLSA-N 0 3 303.406 1.685 40 0 DDABHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3Cc2ccccc2)cn1 ZINC000096184540 407244907 /nfs/dbraw/zinc/24/49/07/407244907.db2.gz LBKSCDLTXFCLOJ-SJORKVTESA-N 0 3 310.401 1.909 40 0 DDABHN COc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)cc1 ZINC000096187381 407245572 /nfs/dbraw/zinc/24/55/72/407245572.db2.gz OSMXWTPAWUANGU-UHFFFAOYSA-N 0 3 314.389 1.678 40 0 DDABHN CCc1ccc(CN2CCC3(CN(CCOC)C3=O)CC2)o1 ZINC000096202834 407249965 /nfs/dbraw/zinc/24/99/65/407249965.db2.gz XVBXCAGERFYYOD-UHFFFAOYSA-N 0 3 306.406 1.913 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(Cc1c(C)noc1C)CC[C@@H]2OC ZINC000096208946 407250732 /nfs/dbraw/zinc/25/07/32/407250732.db2.gz NEODJBWQIONCGR-BBWFWOEESA-N 0 3 323.437 1.459 40 0 DDABHN COCCN1CC[C@H]2O[C@H](C(=O)NCc3cccs3)CC[C@H]21 ZINC000097953578 407304057 /nfs/dbraw/zinc/30/40/57/407304057.db2.gz ARKGJIGAHDDQAP-KFWWJZLASA-N 0 3 324.446 1.633 40 0 DDABHN CN(CC(=O)N1CC[C@@H]2[C@@H](C1)CCCC(=O)N2C)C1CCCC1 ZINC000257254591 407520343 /nfs/dbraw/zinc/52/03/43/407520343.db2.gz KDUKUPDFASXCLC-GDBMZVCRSA-N 0 3 321.465 1.720 40 0 DDABHN Cn1cc(CN2CCC3(CC2)Cc2ccccc2CNC3=O)cn1 ZINC000096243369 274891324 /nfs/dbraw/zinc/89/13/24/274891324.db2.gz CMQCZKLHQDWJRM-UHFFFAOYSA-N 0 3 324.428 1.875 40 0 DDABHN Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCN1CCOCC1 ZINC000257334745 301033913 /nfs/dbraw/zinc/03/39/13/301033913.db2.gz YHFHSWHKYHPFRU-AWEZNQCLSA-N 0 3 306.410 1.494 40 0 DDABHN CCN(C(=O)OCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000079412825 185170257 /nfs/dbraw/zinc/17/02/57/185170257.db2.gz WHEZFDXMQYFQOJ-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN CN(CC1CCN(C(=O)CN)CC1)C(=O)OCc1ccccc1 ZINC000079412347 185170453 /nfs/dbraw/zinc/17/04/53/185170453.db2.gz RKQQIBOAWMNZBD-UHFFFAOYSA-N 0 3 319.405 1.452 40 0 DDABHN C[C@H](N)C(=O)N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000079391343 185167969 /nfs/dbraw/zinc/16/79/69/185167969.db2.gz UVQVBUQYKLOBMD-NSHDSACASA-N 0 3 311.426 1.724 40 0 DDABHN NCC(=O)N1CCC[C@H](c2cncc(Nc3ccccn3)n2)C1 ZINC000072360871 191131465 /nfs/dbraw/zinc/13/14/65/191131465.db2.gz UGZYKFDXFSPFRG-LBPRGKRZSA-N 0 3 312.377 1.280 40 0 DDABHN OCCN1CCC(c2nccnc2Oc2cccnc2)CC1 ZINC000072361623 191131932 /nfs/dbraw/zinc/13/19/32/191131932.db2.gz LXECDZCMNVZGRS-UHFFFAOYSA-N 0 3 300.362 1.836 40 0 DDABHN O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1cc(F)cc(F)c1 ZINC000585284613 354823991 /nfs/dbraw/zinc/82/39/91/354823991.db2.gz YTYKLZSNRJHTAL-HOTGVXAUSA-N 0 3 313.344 1.694 40 0 DDABHN CN([C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)S(=O)(=O)c1ccccc1 ZINC000257231140 202965182 /nfs/dbraw/zinc/96/51/82/202965182.db2.gz GFKYLDKBYXXZAL-BZUAXINKSA-N 0 3 324.446 1.295 40 0 DDABHN O=C(C1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019292335 182113554 /nfs/dbraw/zinc/11/35/54/182113554.db2.gz CLSLENGTXPVPIX-HNNXBMFYSA-N 0 3 300.406 1.976 40 0 DDABHN CCOC(=O)[C@@H](C)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368394 184147251 /nfs/dbraw/zinc/14/72/51/184147251.db2.gz RHBZCJUYFHCDHW-RBSFLKMASA-N 0 3 312.454 1.759 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218446967 257130688 /nfs/dbraw/zinc/13/06/88/257130688.db2.gz GWSINPKOOKHISK-HZSPNIEDSA-N 0 3 317.838 1.832 40 0 DDABHN Cc1ccc(C(=O)N2CCC[C@]3(C2)COCCN(C)C3)cn1 ZINC000096076199 292054823 /nfs/dbraw/zinc/05/48/23/292054823.db2.gz QGNSQEWLVXODBH-KRWDZBQOSA-N 0 3 303.406 1.574 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000006953135 406745891 /nfs/dbraw/zinc/74/58/91/406745891.db2.gz CPGQDJNZYMVUQR-CQSZACIVSA-N 0 3 303.406 1.842 40 0 DDABHN Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)N)CC1(CCOCC1)O2 ZINC000012337515 406841725 /nfs/dbraw/zinc/84/17/25/406841725.db2.gz WBXSWGUVHAYREP-TZMCWYRMSA-N 0 3 304.390 1.831 40 0 DDABHN Cc1cccc(NC(=O)CNCCCN2CCOCC2)c1C ZINC000035311502 406970907 /nfs/dbraw/zinc/97/09/07/406970907.db2.gz JSJGKNYYLJQEIU-UHFFFAOYSA-N 0 3 305.422 1.554 40 0 DDABHN Cc1nc(N2CCCC2)nc2c1CCN([C@H]1CCOC1)CC2 ZINC000096254539 407257044 /nfs/dbraw/zinc/25/70/44/407257044.db2.gz AEVZLAFEIPKFOU-AWEZNQCLSA-N 0 3 302.422 1.575 40 0 DDABHN Cn1cc(N2CC[C@]3(CCN(Cc4ccco4)C3)C2=O)cn1 ZINC000096050507 407227787 /nfs/dbraw/zinc/22/77/87/407227787.db2.gz GDLNXGWJUREPPG-INIZCTEOSA-N 0 3 300.362 1.642 40 0 DDABHN Cc1ccc(CN2CCO[C@]3(C2)COCCN(C(C)C)C3)o1 ZINC000096049725 407228068 /nfs/dbraw/zinc/22/80/68/407228068.db2.gz PXVBFGQOBVRVSE-KRWDZBQOSA-N 0 3 308.422 1.900 40 0 DDABHN O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccco3)C[C@@H]21 ZINC000096056237 407229119 /nfs/dbraw/zinc/22/91/19/407229119.db2.gz ZFFVOXPTKXIFBM-CWRNSKLLSA-N 0 3 304.390 1.739 40 0 DDABHN c1coc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 ZINC000096056246 407229185 /nfs/dbraw/zinc/22/91/85/407229185.db2.gz MBJZMUCSZJRUFO-BHYGNILZSA-N 0 3 306.406 1.449 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccoc3)C[C@H]2C1 ZINC000096053925 407229943 /nfs/dbraw/zinc/22/99/43/407229943.db2.gz VFUHWXOBTZSLBS-BETUJISGSA-N 0 3 303.387 1.940 40 0 DDABHN CN(C)CCN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096065496 407232632 /nfs/dbraw/zinc/23/26/32/407232632.db2.gz XBLODFOMYOLHNQ-BPUTZDHNSA-N 0 3 318.421 1.061 40 0 DDABHN CCN1C[C@@]2(CC1=O)CNCCN(C(=O)Nc1ccccc1)C2 ZINC000096143496 407240327 /nfs/dbraw/zinc/24/03/27/407240327.db2.gz JTJDOTPWGHFVMO-QGZVFWFLSA-N 0 3 316.405 1.362 40 0 DDABHN Cn1cccc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096161484 407242408 /nfs/dbraw/zinc/24/24/08/407242408.db2.gz IREKIAADUPIYNG-IYBDPMFKSA-N 0 3 310.401 1.624 40 0 DDABHN COCC(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2N(C)Cc1cccnc1 ZINC000096182942 407243809 /nfs/dbraw/zinc/24/38/09/407243809.db2.gz PUBWSGOYMKNSMP-IXDOHACOSA-N 0 3 317.433 1.787 40 0 DDABHN Cn1cc(N2CC[C@@H]3CN(Cc4cccnc4)C[C@H]3C2=O)cn1 ZINC000107254588 407371637 /nfs/dbraw/zinc/37/16/37/407371637.db2.gz MVCKRQMVDQOPSS-GDBMZVCRSA-N 0 3 311.389 1.300 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218447040 407518611 /nfs/dbraw/zinc/51/86/11/407518611.db2.gz GWSINPKOOKHISK-IHRRRGAJSA-N 0 3 317.838 1.832 40 0 DDABHN NC[C@@]1(N)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218629658 407520649 /nfs/dbraw/zinc/52/06/49/407520649.db2.gz QRJAPCLRNUHVBA-HRCADAONSA-N 0 3 320.389 1.422 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cnco3)CCO2)c1 ZINC000257284242 407528552 /nfs/dbraw/zinc/52/85/52/407528552.db2.gz PBVYDBZLJFUZAA-CQSZACIVSA-N 0 3 302.334 1.633 40 0 DDABHN CNC(=O)c1cnn2c1nccc2[C@H]1CCCN(C(C)C)C1 ZINC000257232039 277261882 /nfs/dbraw/zinc/26/18/82/277261882.db2.gz GJEHBPXTSYHHEK-LBPRGKRZSA-N 0 3 301.394 1.677 40 0 DDABHN N=C1Nc2nc(=O)c3ccccc3n2[C@@H](c2cccc(F)c2)N1 ZINC000022239116 279618408 /nfs/dbraw/zinc/61/84/08/279618408.db2.gz LKWNYGZHPGVRBV-ZDUSSCGKSA-N 0 3 309.304 1.823 40 0 DDABHN NCC(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 ZINC000079412221 295216026 /nfs/dbraw/zinc/21/60/26/295216026.db2.gz ZVLICLNVCTXJQR-AWEZNQCLSA-N 0 3 305.378 1.110 40 0 DDABHN CN(C)CCN1CCN(C[C@H]2CCOC2)Cc2cccnc21 ZINC000247991467 282101528 /nfs/dbraw/zinc/10/15/28/282101528.db2.gz LONKUNSQFKOFCE-OAHLLOKOSA-N 0 3 304.438 1.302 40 0 DDABHN CN(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392856 185168289 /nfs/dbraw/zinc/16/82/89/185168289.db2.gz GRZDHQVUMDTAHC-AWEZNQCLSA-N 0 3 305.378 1.205 40 0 DDABHN CCN(C(=O)CN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079392905 185168337 /nfs/dbraw/zinc/16/83/37/185168337.db2.gz ZERGXOGGBVDSNZ-HNNXBMFYSA-N 0 3 319.405 1.595 40 0 DDABHN C[C@H](N)C(=O)N[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079393039 185168815 /nfs/dbraw/zinc/16/88/15/185168815.db2.gz AVEKLUSFGQYLRX-JSGCOSHPSA-N 0 3 305.378 1.251 40 0 DDABHN NC(=O)c1ccc(-c2nccc([C@H]3CCCN3CCO)n2)cc1 ZINC000072355779 191130615 /nfs/dbraw/zinc/13/06/15/191130615.db2.gz ILJJWZMQQCFHSV-OAHLLOKOSA-N 0 3 312.373 1.372 40 0 DDABHN COc1ccc(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)cc1 ZINC000585104528 354807581 /nfs/dbraw/zinc/80/75/81/354807581.db2.gz PAXUWYYUFDJBGR-KRWDZBQOSA-N 0 3 304.390 1.376 40 0 DDABHN COC[C@@]1(CC(=O)N(C)C)CCCN1Cc1ncccc1C ZINC000585277752 354821392 /nfs/dbraw/zinc/82/13/92/354821392.db2.gz XOCMPMJMLNYFSW-KRWDZBQOSA-N 0 3 305.422 1.849 40 0 DDABHN NCc1cn(-c2ccccc2C(=O)NCc2cccnc2)cn1 ZINC000257214129 202950190 /nfs/dbraw/zinc/95/01/90/202950190.db2.gz CKRAJPCDURJJPD-UHFFFAOYSA-N 0 3 307.357 1.656 40 0 DDABHN CNc1cc(C)nc([C@H]2CN(C(=O)c3cccnn3)CCO2)c1 ZINC000257309390 203035119 /nfs/dbraw/zinc/03/51/19/203035119.db2.gz UASNYYVCWZJNHD-OAHLLOKOSA-N 0 3 313.361 1.435 40 0 DDABHN Cc1ncc(-c2cncc([C@@H]3CCCN(CCO)C3)n2)n1C ZINC000257338151 203061303 /nfs/dbraw/zinc/06/13/03/203061303.db2.gz YWCQQRNVYZURFH-CYBMUJFWSA-N 0 3 301.394 1.357 40 0 DDABHN Cc1cnc(C[C@H]2COCCN(c3cc(C)nc(N)n3)C2)cn1 ZINC000257344763 203067596 /nfs/dbraw/zinc/06/75/96/203067596.db2.gz ZYPBKMGWRXCHFJ-CYBMUJFWSA-N 0 3 314.393 1.161 40 0 DDABHN O=C(C1CCCC1)N1CC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019292397 182113408 /nfs/dbraw/zinc/11/34/08/182113408.db2.gz VFOPRFUKQIWVEA-ZDUSSCGKSA-N 0 3 300.406 1.628 40 0 DDABHN COCC(=O)NCC[C@H]1CCCCN1Cc1cnn(C)c1C ZINC000019749018 182142938 /nfs/dbraw/zinc/14/29/38/182142938.db2.gz AEUHVJIREWAJAG-OAHLLOKOSA-N 0 3 308.426 1.236 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(C)(=O)=O ZINC000218247825 257130505 /nfs/dbraw/zinc/13/05/05/257130505.db2.gz SIPZRJFTSGPMSX-VNHYZAJKSA-N 0 3 311.403 1.014 40 0 DDABHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccsc2)cn1 ZINC000096055740 257136724 /nfs/dbraw/zinc/13/67/24/257136724.db2.gz PHRXIOCOZGFZDB-UONOGXRCSA-N 0 3 302.403 1.861 40 0 DDABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 ZINC000223254166 407565437 /nfs/dbraw/zinc/56/54/37/407565437.db2.gz IRIOAENNHLUQDV-GJZGRUSLSA-N 0 3 315.446 1.944 40 0 DDABHN OCCN(CCO)CCCNc1ccnc2cc(Cl)ccc21 ZINC000001687508 406674935 /nfs/dbraw/zinc/67/49/35/406674935.db2.gz ZUMSZBGPBCFEDO-UHFFFAOYSA-N 0 3 323.824 1.977 40 0 DDABHN CN(C)CCN=C1Nc2ccccc2C(=O)N2CSC[C@@H]12 ZINC000006371963 406738007 /nfs/dbraw/zinc/73/80/07/406738007.db2.gz UKKLPUCNARPLGD-ZDUSSCGKSA-N 0 3 304.419 1.397 40 0 DDABHN CNc1ncccc1CN1CCCC[C@H]1CCNC(=O)COC ZINC000072344648 406881714 /nfs/dbraw/zinc/88/17/14/406881714.db2.gz CCAKXXNBISXOQA-HNNXBMFYSA-N 0 3 320.437 1.631 40 0 DDABHN CCN(C(=O)CCc1c(C)nc(N)nc1C)C1CCN(C)CC1 ZINC000019657595 406886827 /nfs/dbraw/zinc/88/68/27/406886827.db2.gz BPEQCQJBUVMUPZ-UHFFFAOYSA-N 0 3 319.453 1.551 40 0 DDABHN O[C@@H]1CN(Cc2ccc(F)cc2)CC[C@H]1NCc1cccnc1 ZINC000036739940 406983026 /nfs/dbraw/zinc/98/30/26/406983026.db2.gz GFAVXFMJJIJTRC-QZTJIDSGSA-N 0 3 315.392 1.946 40 0 DDABHN COCCN1CCC2(C[C@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221262 407252918 /nfs/dbraw/zinc/25/29/18/407252918.db2.gz WTVBZXPCBZNXRK-ZDUSSCGKSA-N 0 3 324.446 1.748 40 0 DDABHN CN(C)CCOC[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccccn1 ZINC000096249926 407255403 /nfs/dbraw/zinc/25/54/03/407255403.db2.gz XPSJVVLFIAESIP-NJAFHUGGSA-N 0 3 319.449 1.639 40 0 DDABHN O=C1[C@@H]2CN(Cc3ccccn3)C[C@H]2CCN1c1cncnc1 ZINC000096249135 407255493 /nfs/dbraw/zinc/25/54/93/407255493.db2.gz ZFUHVOOJYIJODY-CZUORRHYSA-N 0 3 309.373 1.357 40 0 DDABHN CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cccc(C)n3)C[C@H]21 ZINC000096043325 407225958 /nfs/dbraw/zinc/22/59/58/407225958.db2.gz GFZUVEBDHOYXOP-OWCLPIDISA-N 0 3 303.406 1.363 40 0 DDABHN O=C(NCc1ccco1)[C@H]1C[C@@H]2CCN(C3CCC3)C[C@@H]2O1 ZINC000096043261 407226301 /nfs/dbraw/zinc/22/63/01/407226301.db2.gz UJCXDJRWXFERCR-MAZHCROVSA-N 0 3 304.390 1.928 40 0 DDABHN O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@@H]21 ZINC000096056245 407229176 /nfs/dbraw/zinc/22/91/76/407229176.db2.gz XGSYXOSUOZCYFF-YESZJQIVSA-N 0 3 315.417 1.541 40 0 DDABHN Cc1cccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)n1 ZINC000096053820 407229924 /nfs/dbraw/zinc/22/99/24/407229924.db2.gz DXJNEAGZNDASLP-HZPDHXFCSA-N 0 3 322.412 1.989 40 0 DDABHN Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccccn4)C[C@H]32)n1 ZINC000096057254 407230458 /nfs/dbraw/zinc/23/04/58/407230458.db2.gz AITWTCBPSNVIGA-FMKPAKJESA-N 0 3 314.389 1.710 40 0 DDABHN O=C1[C@@H]2CCN(C3CCC3)C[C@@H]2OCCN1Cc1ccncc1 ZINC000096107111 407237508 /nfs/dbraw/zinc/23/75/08/407237508.db2.gz OAILBPQQIDNIGF-SJORKVTESA-N 0 3 315.417 1.683 40 0 DDABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@H]21)NC1CC1 ZINC000096206602 407249397 /nfs/dbraw/zinc/24/93/97/407249397.db2.gz DCVQVSFSJSQCFY-BMFZPTHFSA-N 0 3 304.390 1.785 40 0 DDABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3cnn(C)c3)C[C@H]12 ZINC000257207767 407494752 /nfs/dbraw/zinc/49/47/52/407494752.db2.gz BJDGYUKXIARDBL-OWCLPIDISA-N 0 3 312.421 1.557 40 0 DDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccc(F)c(F)c2)C1 ZINC000257253118 407519603 /nfs/dbraw/zinc/51/96/03/407519603.db2.gz JXPVCVFXKREWAF-ZDUSSCGKSA-N 0 3 311.376 1.417 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2ccc3c(c2)CCCC3)C1 ZINC000257262809 407526183 /nfs/dbraw/zinc/52/61/83/407526183.db2.gz LMZZVKQJZGJRLZ-SFHVURJKSA-N 0 3 302.418 1.704 40 0 DDABHN COCCN1CCC[C@@]12CCCN(C(=O)c1ccccn1)C2 ZINC000096203232 274027612 /nfs/dbraw/zinc/02/76/12/274027612.db2.gz JGZHJRJPHSUMCZ-QGZVFWFLSA-N 0 3 303.406 1.799 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000079410062 280272669 /nfs/dbraw/zinc/27/26/69/280272669.db2.gz XBOYFHOOQVVNMU-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN N=C(COc1cc2c(cc1Br)OCCO2)NO ZINC000409443010 545662414 /nfs/dbraw/zinc/66/24/14/545662414.db2.gz FMKYIRGFCBUHDA-UHFFFAOYSA-N 0 3 303.112 1.555 40 0 DDABHN NCC(=O)N1CCCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079412237 185169851 /nfs/dbraw/zinc/16/98/51/185169851.db2.gz HRCSLWYDJNHBES-AWEZNQCLSA-N 0 3 305.378 1.253 40 0 DDABHN Cc1nn(C)c(C)c1NCCNC[C@@H](O)COc1ccccc1 ZINC000003630866 181042748 /nfs/dbraw/zinc/04/27/48/181042748.db2.gz CRKZWPJRHFAGCJ-OAHLLOKOSA-N 0 3 318.421 1.478 40 0 in-man DDABHN Cc1cccc(C[C@H]2CCN(C(=O)/C=C/CN(C)C)C[C@H]2O)c1 ZINC000585289590 354825185 /nfs/dbraw/zinc/82/51/85/354825185.db2.gz KMJWQYZYBMDSOT-HEAXLZMOSA-N 0 3 316.445 1.865 40 0 DDABHN OCCN[C@H](Cc1ccccc1)c1ccccc1OCCO ZINC000006580816 181357234 /nfs/dbraw/zinc/35/72/34/181357234.db2.gz XITBODHYUPWWIX-QGZVFWFLSA-N 0 3 301.386 1.923 40 0 DDABHN C[C@H](CN(C)C)Nc1nc(Cc2ccccc2F)cc(=O)[nH]1 ZINC000019455947 182123613 /nfs/dbraw/zinc/12/36/13/182123613.db2.gz WUTIREDPPVMDDE-LLVKDONJSA-N 0 3 304.369 1.862 40 0 DDABHN CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCOCC1 ZINC000019460781 182124237 /nfs/dbraw/zinc/12/42/37/182124237.db2.gz SVTNZVZWTDZKDD-RVKKMQEKSA-N 0 3 323.481 1.239 40 0 DDABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@H]1S(C)(=O)=O ZINC000242722733 257120252 /nfs/dbraw/zinc/12/02/52/257120252.db2.gz XSXFOGHGWCUQCY-YNEHKIRRSA-N 0 3 303.811 1.442 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@]1(CN)COC ZINC000218467360 257130476 /nfs/dbraw/zinc/13/04/76/257130476.db2.gz FQJUQKKVUJOQFL-BFHYXJOUSA-N 0 3 317.838 1.832 40 0 DDABHN CCOC[C@]1(CN)[C@@H](c2cccc(Cl)c2)[C@H]1S(C)(=O)=O ZINC000252515073 257106121 /nfs/dbraw/zinc/10/61/21/257106121.db2.gz GWSINPKOOKHISK-BFHYXJOUSA-N 0 3 317.838 1.832 40 0 DDABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)c1cncnc1 ZINC000072394830 406881243 /nfs/dbraw/zinc/88/12/43/406881243.db2.gz HIZIHBPGSBOGQW-OAHLLOKOSA-N 0 3 312.373 1.442 40 0 DDABHN CN1CCC(NC(=S)Nc2ccc3c(c2)OCCO3)CC1 ZINC000017452122 406884564 /nfs/dbraw/zinc/88/45/64/406884564.db2.gz XGUPFEYDTYARCL-UHFFFAOYSA-N 0 3 307.419 1.838 40 0 DDABHN CS(=O)(=O)N1CCCc2cc([C@H](O)CN3CCCC3)ccc21 ZINC000012291410 406841307 /nfs/dbraw/zinc/84/13/07/406841307.db2.gz BFXPHKKQFHOWOE-MRXNPFEDSA-N 0 3 324.446 1.528 40 0 DDABHN CC(C)N(C[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409773 407054670 /nfs/dbraw/zinc/05/46/70/407054670.db2.gz ONBYQGMALZAXEY-STQMWFEESA-N 0 3 313.442 1.970 40 0 DDABHN COCCNC(=O)C[C@@H]1COC[C@H]2CN(Cc3ccoc3)C[C@H]21 ZINC000096040831 407225434 /nfs/dbraw/zinc/22/54/34/407225434.db2.gz QQMDFJUXCJAFSA-OAGGEKHMSA-N 0 3 322.405 1.127 40 0 DDABHN CC(C)N1C[C@@H](N(C)Cc2cncnc2)[C@H]2OCCC[C@H]2C1 ZINC000096040711 407225561 /nfs/dbraw/zinc/22/55/61/407225561.db2.gz UHGDJPIOHGSDAN-BBWFWOEESA-N 0 3 304.438 1.796 40 0 DDABHN CN(C)C(=O)N[C@@H]1COC2(C1)CCN(Cc1ccco1)CC2 ZINC000096047965 407227502 /nfs/dbraw/zinc/22/75/02/407227502.db2.gz QTLVLVUSNSMNGN-ZDUSSCGKSA-N 0 3 307.394 1.674 40 0 DDABHN CN(C)C(=O)CN1CCC2(CCN(Cc3ccoc3)CC2)C1=O ZINC000096046844 407227590 /nfs/dbraw/zinc/22/75/90/407227590.db2.gz MNPDBGNTDHECQN-UHFFFAOYSA-N 0 3 319.405 1.182 40 0 DDABHN COCCNC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096055570 407228890 /nfs/dbraw/zinc/22/88/90/407228890.db2.gz DLXCRZWGUDEPFC-MCIONIFRSA-N 0 3 310.419 1.243 40 0 DDABHN c1cncc(CN2CC[C@H]3CO[C@H](CN4CCOCC4)[C@H]3C2)c1 ZINC000096056254 407229114 /nfs/dbraw/zinc/22/91/14/407229114.db2.gz POUCMKAZIIYYGZ-OKZBNKHCSA-N 0 3 317.433 1.251 40 0 DDABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccncc3)C[C@H]2C1 ZINC000096053947 407229371 /nfs/dbraw/zinc/22/93/71/407229371.db2.gz UKHYLPQLZJPAGN-KBPBESRZSA-N 0 3 314.414 1.742 40 0 DDABHN COCCN1CCOCC12CCN(Cc1[nH]cnc1C)CC2 ZINC000096074617 407235254 /nfs/dbraw/zinc/23/52/54/407235254.db2.gz FBKWKOYCFJIVQJ-UHFFFAOYSA-N 0 3 308.426 1.031 40 0 DDABHN CN1CCN(Cc2cc3ccccc3s2)C[C@@H](C(N)=O)C1 ZINC000257252160 407521032 /nfs/dbraw/zinc/52/10/32/407521032.db2.gz JTTIPMRHNKIQTQ-ZDUSSCGKSA-N 0 3 303.431 1.750 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000408708108 418810724 /nfs/dbraw/zinc/81/07/24/418810724.db2.gz UWKSDJYJVSRGLL-GDBMZVCRSA-N 0 3 317.433 1.507 40 0 DDABHN CNCC(=O)N1CCOC[C@H](Cc2ccc3c(ccn3C)c2)C1 ZINC000257209846 277020449 /nfs/dbraw/zinc/02/04/49/277020449.db2.gz BSCVSZZEQHYMDJ-OAHLLOKOSA-N 0 3 315.417 1.415 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCN(C(=O)OCc2ccccc2)CC1 ZINC000079420008 185170941 /nfs/dbraw/zinc/17/09/41/185170941.db2.gz WAKQQBAFXIZWOA-HNNXBMFYSA-N 0 3 319.405 1.451 40 0 DDABHN O=C(C1=CCCC1)N1Cc2cncn2[C@@H](CN2CCCC2)C1 ZINC000306132032 231088004 /nfs/dbraw/zinc/08/80/04/231088004.db2.gz KVYKADSYWXSRSV-INIZCTEOSA-N 0 3 300.406 1.973 40 0 DDABHN Cc1cc(C(=O)N2CCC(O)CC2)nc(C2CCN(C)CC2)n1 ZINC000072365907 191135896 /nfs/dbraw/zinc/13/58/96/191135896.db2.gz KMHBQUWMNCAXDN-UHFFFAOYSA-N 0 3 318.421 1.191 40 0 DDABHN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(C[C@H](O)CN1CCCCC1)C2=O ZINC000003905387 181054917 /nfs/dbraw/zinc/05/49/17/181054917.db2.gz SFPMCNGQOVTBMP-LBTNJELSSA-N 0 3 322.449 1.645 40 0 DDABHN COCCN1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104395 354808131 /nfs/dbraw/zinc/80/81/31/354808131.db2.gz LQANLTGJPBWANZ-QGZVFWFLSA-N 0 3 322.380 1.527 40 0 DDABHN CC(C)CN1CCOC[C@@]2(CC(=O)N(c3ccncn3)C2)C1 ZINC000585105022 354808154 /nfs/dbraw/zinc/80/81/54/354808154.db2.gz YVKGPYHJZLYRCL-INIZCTEOSA-N 0 3 304.394 1.188 40 0 DDABHN CC(C)C(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N(C)C ZINC000257320299 203045164 /nfs/dbraw/zinc/04/51/64/203045164.db2.gz VWCXGLBDLZRYRU-WCVJEAGWSA-N 0 3 324.396 1.409 40 0 DDABHN CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]21 ZINC000096066325 193517148 /nfs/dbraw/zinc/51/71/48/193517148.db2.gz UPIUMDCPUWYVMO-OWCLPIDISA-N 0 3 320.437 1.172 40 0 DDABHN CNc1cc(CN(C)CC2=CCCOC2)nc([C@H]2CCCN2)n1 ZINC000019759980 182144730 /nfs/dbraw/zinc/14/47/30/182144730.db2.gz KSGIZYMBLLVAHV-OAHLLOKOSA-N 0 3 317.437 1.721 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)[C@]1(CN)COC ZINC000242547686 257120285 /nfs/dbraw/zinc/12/02/85/257120285.db2.gz KSHXAXZOAQSFCB-KFWWJZLASA-N 0 3 313.419 1.187 40 0 DDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)Cc2ccccc2)[C@H]1O ZINC000514288650 257216663 /nfs/dbraw/zinc/21/66/63/257216663.db2.gz JUICWDCQZHARKR-XYJFISCASA-N 0 3 320.433 1.206 40 0 biogenic,in-vitro DDABHN NC[C@@H]1CCN(Cc2ccc(Cl)cc2Cl)S1(=O)=O ZINC000222537702 407559038 /nfs/dbraw/zinc/55/90/38/407559038.db2.gz SBWOCPJVBDGQCM-JTQLQIEISA-N 0 3 309.218 1.856 40 0 DDABHN NCC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000079392835 407053894 /nfs/dbraw/zinc/05/38/94/407053894.db2.gz RMHIZQHCPPOEIR-ZIAGYGMSSA-N 0 3 305.378 1.299 40 0 DDABHN Cc1n[nH]c(C[C@@H]2OC[C@H]3CN(Cc4nccs4)CC[C@H]32)n1 ZINC000096216085 407251220 /nfs/dbraw/zinc/25/12/20/407251220.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 0 3 319.434 1.649 40 0 DDABHN Cc1nc(C[C@@H]2OC[C@H]3CN(Cc4nccs4)CC[C@H]32)n[nH]1 ZINC000096216085 407251221 /nfs/dbraw/zinc/25/12/21/407251221.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 0 3 319.434 1.649 40 0 DDABHN Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4nccs4)CC[C@H]32)[nH]1 ZINC000096216085 407251222 /nfs/dbraw/zinc/25/12/22/407251222.db2.gz VKMYUZGDZUZNKO-UPJWGTAASA-N 0 3 319.434 1.649 40 0 DDABHN Cc1noc(C)c1CN1CC[C@H]2OCC[C@@]2(C(=O)NC(C)C)C1 ZINC000096038673 407224459 /nfs/dbraw/zinc/22/44/59/407224459.db2.gz UFLLJAUEEMEXPG-NVXWUHKLSA-N 0 3 321.421 1.797 40 0 DDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccncc3)C[C@@H]21)C1CC1 ZINC000096056277 407229699 /nfs/dbraw/zinc/22/96/99/407229699.db2.gz KUCGLKZZAIDUJK-YESZJQIVSA-N 0 3 315.417 1.445 40 0 DDABHN COc1ccc(CN2CC[C@H]3O[C@H](C(=O)N(C)C)CC[C@H]32)cc1 ZINC000096057325 407231069 /nfs/dbraw/zinc/23/10/69/407231069.db2.gz PCHLPJABMVTLSQ-ZACQAIPSSA-N 0 3 318.417 1.905 40 0 DDABHN C[C@@H]1c2ncc(CN3CCN(C)CC3)n2CCN1CC1CC1 ZINC000096062032 407231851 /nfs/dbraw/zinc/23/18/51/407231851.db2.gz HIQYKCKTGIVVDU-CQSZACIVSA-N 0 3 303.454 1.417 40 0 DDABHN O=C(c1ccno1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096076313 407235157 /nfs/dbraw/zinc/23/51/57/407235157.db2.gz GZKIQKPSGJNNST-KRWDZBQOSA-N 0 3 319.405 1.639 40 0 DDABHN O=C(C1CCSCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096107992 407237685 /nfs/dbraw/zinc/23/76/85/407237685.db2.gz ONYWSQURRMLBEW-JKSUJKDBSA-N 0 3 324.490 1.699 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C3CC3)on1)CC[C@@H]2OC ZINC000096111058 407238569 /nfs/dbraw/zinc/23/85/69/407238569.db2.gz FOEWXEVDJMAWBB-CFVMTHIKSA-N 0 3 319.405 1.733 40 0 DDABHN Cc1ccc(S(=O)(=O)N2CCOC[C@]3(CCN(C)C3)C2)cc1 ZINC000096201959 407248981 /nfs/dbraw/zinc/24/89/81/407248981.db2.gz YATFMWRYIMJDDS-INIZCTEOSA-N 0 3 324.446 1.338 40 0 DDABHN O=C(Cc1ccco1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 ZINC000096206270 407249355 /nfs/dbraw/zinc/24/93/55/407249355.db2.gz YVEQDRFNLDHATH-GOEBONIOSA-N 0 3 304.390 1.391 40 0 DDABHN CNc1cc(C)nc([C@@H]2COCCN2C2CCN(C)CC2)n1 ZINC000257202525 407494064 /nfs/dbraw/zinc/49/40/64/407494064.db2.gz AMFNUCDMUWEBSL-AWEZNQCLSA-N 0 3 305.426 1.294 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218515971 407517853 /nfs/dbraw/zinc/51/78/53/407517853.db2.gz GOFMPXOHXQZUAS-RDBSUJKOSA-N 0 3 301.383 1.318 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1cccnc1 ZINC000247945724 408516580 /nfs/dbraw/zinc/51/65/80/408516580.db2.gz BABJFZUNUDAGBC-BZSNNMDCSA-N 0 3 319.449 1.639 40 0 DDABHN O=C(NC[C@H]1CNCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000131136550 196142267 /nfs/dbraw/zinc/14/22/67/196142267.db2.gz MZJCSGOFVGAKLE-LLVKDONJSA-N 0 3 304.268 1.303 40 0 DDABHN COCCC(=O)N1CCC(NCc2c(Cl)cnn2C)CC1 ZINC000132204455 196235336 /nfs/dbraw/zinc/23/53/36/196235336.db2.gz TUYXBGSOKQLUEA-UHFFFAOYSA-N 0 3 314.817 1.191 40 0 DDABHN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C)CC1)C(=O)N2 ZINC000101915956 273539696 /nfs/dbraw/zinc/53/96/96/273539696.db2.gz ZYUGVKWGUPUUOO-UHFFFAOYSA-N 0 3 301.390 1.740 40 0 DDABHN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C[C@@H]1CCOC1 ZINC000096184587 280237634 /nfs/dbraw/zinc/23/76/34/280237634.db2.gz RPIPUWPBSGSKSH-YUTCNCBUSA-N 0 3 307.419 1.468 40 0 DDABHN COc1ccccc1N1CCN(C(=O)C2CCN(C)CC2)CC1 ZINC000074707402 185010992 /nfs/dbraw/zinc/01/09/92/185010992.db2.gz WHLVLGIZRDRFFL-UHFFFAOYSA-N 0 3 317.433 1.686 40 0 DDABHN Cn1cc(CN2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)cn1 ZINC000306128947 231085010 /nfs/dbraw/zinc/08/50/10/231085010.db2.gz HOZAMRQCIZVJAQ-JKSUJKDBSA-N 0 3 320.400 1.908 40 0 DDABHN CN(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392851 185168486 /nfs/dbraw/zinc/16/84/86/185168486.db2.gz KBSCBQHYXPBTFO-AWEZNQCLSA-N 0 3 305.378 1.062 40 0 DDABHN OCCN1CCC(Cc2cnc(Nc3ccccn3)cn2)CC1 ZINC000072363467 191132667 /nfs/dbraw/zinc/13/26/67/191132667.db2.gz TXVIYJAULPRVJW-UHFFFAOYSA-N 0 3 313.405 1.862 40 0 DDABHN Cc1cccc(C[C@]2(CO)CN(C3CCOCC3)CCO2)c1 ZINC000585275497 354819368 /nfs/dbraw/zinc/81/93/68/354819368.db2.gz FJCVNAIHXCLHRZ-GOSISDBHSA-N 0 3 305.418 1.780 40 0 DDABHN CN1CCC[C@H]1C(=O)N1CCC(c2ccn3nccc3n2)CC1 ZINC000257329388 203052383 /nfs/dbraw/zinc/05/23/83/203052383.db2.gz XJUNXAFKPKLKKT-HNNXBMFYSA-N 0 3 313.405 1.530 40 0 DDABHN CCc1ncc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cn1 ZINC000019523446 182128249 /nfs/dbraw/zinc/12/82/49/182128249.db2.gz WQWCLDCYPUEVNF-INIZCTEOSA-N 0 3 324.432 1.812 40 0 DDABHN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000019594324 182133423 /nfs/dbraw/zinc/13/34/23/182133423.db2.gz LLMCREYUOLGNJU-CQSZACIVSA-N 0 3 314.389 1.691 40 0 DDABHN CCN(CC)C(=O)CN1CCC(n2cnc3cccnc32)CC1 ZINC000012114640 406835228 /nfs/dbraw/zinc/83/52/28/406835228.db2.gz IURRUFZHOYOCMA-UHFFFAOYSA-N 0 3 315.421 1.937 40 0 DDABHN CCOC(=O)[C@@H]1CCCN(C[C@H](O)COC2CCCCC2)C1 ZINC000035088696 406966715 /nfs/dbraw/zinc/96/67/15/406966715.db2.gz ODCLSMNDBFQLNF-CABCVRRESA-N 0 3 313.438 1.972 40 0 DDABHN O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1NCc1ccccn1 ZINC000036739959 406982455 /nfs/dbraw/zinc/98/24/55/406982455.db2.gz IRUZLWVVKQEDFF-QZTJIDSGSA-N 0 3 315.392 1.946 40 0 DDABHN O=C([C@H]1CCCO1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228798 407254159 /nfs/dbraw/zinc/25/41/59/407254159.db2.gz YKISACPCJDJMTE-SJLPKXTDSA-N 0 3 322.449 1.516 40 0 DDABHN CC(C)CCN1C[C@H]2C[C@H](C(=O)NCc3cccnc3)[C@@H](C1)O2 ZINC000096253312 407257176 /nfs/dbraw/zinc/25/71/76/407257176.db2.gz CPYPWOWHPRBLOG-IXDOHACOSA-N 0 3 317.433 1.833 40 0 DDABHN O=C(c1cnccn1)N1CC2(C1)CCN(Cc1ccsc1)C2 ZINC000096046494 407227024 /nfs/dbraw/zinc/22/70/24/407227024.db2.gz PCDJOWAKRZCWOW-UHFFFAOYSA-N 0 3 314.414 1.886 40 0 DDABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cncn3C)C2)C1 ZINC000096076247 407234953 /nfs/dbraw/zinc/23/49/53/407234953.db2.gz OOJHICJVDOSAHH-QGZVFWFLSA-N 0 3 320.437 1.383 40 0 DDABHN Cc1ccc(OCC(=O)N2C[C@@H]3CN(C)CCO[C@@H]3C2)cc1 ZINC000096107948 407237240 /nfs/dbraw/zinc/23/72/40/407237240.db2.gz NZYVXZMREKEVDJ-GOEBONIOSA-N 0 3 304.390 1.163 40 0 DDABHN CCOC[C@]12COC[C@H]1CN(Cc1ccc3c(c1)OCO3)C2 ZINC000096108663 407237943 /nfs/dbraw/zinc/23/79/43/407237943.db2.gz VTXJCOBQYDNLLJ-RHSMWYFYSA-N 0 3 305.374 1.900 40 0 DDABHN COCCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccsc1)CC[C@@H]2OC ZINC000096111059 407238723 /nfs/dbraw/zinc/23/87/23/407238723.db2.gz ZYZGPGZVVDESIP-ZNMIVQPWSA-N 0 3 324.446 1.556 40 0 DDABHN Cc1cccnc1CN1C[C@H](C(=O)NCC2CC2)[C@H]2OCC[C@H]21 ZINC000108527726 407387812 /nfs/dbraw/zinc/38/78/12/407387812.db2.gz KLOBMINGSZEBQR-USXIJHARSA-N 0 3 315.417 1.506 40 0 DDABHN CN(C)Cc1cnc(CC2CCN(Cc3c[nH]cn3)CC2)cn1 ZINC000257238980 407512533 /nfs/dbraw/zinc/51/25/33/407512533.db2.gz HNJGZARGKDEPQU-UHFFFAOYSA-N 0 3 314.437 1.716 40 0 DDABHN CN(C)Cc1cnc(CC2CCN(Cc3cnc[nH]3)CC2)cn1 ZINC000257238980 407512537 /nfs/dbraw/zinc/51/25/37/407512537.db2.gz HNJGZARGKDEPQU-UHFFFAOYSA-N 0 3 314.437 1.716 40 0 DDABHN Cc1nc(C2(C)CC[NH+](CC3(O)CCOCC3)CC2)cc(=O)[n-]1 ZINC000257251562 407520319 /nfs/dbraw/zinc/52/03/19/407520319.db2.gz JRGITIDXUQHXCE-UHFFFAOYSA-N 0 3 321.421 1.386 40 0 DDABHN CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 ZINC000079409797 279299711 /nfs/dbraw/zinc/29/97/11/279299711.db2.gz BDKHDZHDJILSFJ-QWHCGFSZSA-N 0 3 313.442 1.970 40 0 DDABHN NC[C@@]1(N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218036610 484146970 /nfs/dbraw/zinc/14/69/70/484146970.db2.gz ZIAHXLVQMCPXBT-OWCLPIDISA-N 0 3 302.399 1.283 40 0 DDABHN C[C@H](N)C(=O)N(C)Cc1ccccc1I ZINC000079420892 185170618 /nfs/dbraw/zinc/17/06/18/185170618.db2.gz YFNHTWMJHZHVMJ-QMMMGPOBSA-N 0 3 318.158 1.597 40 0 DDABHN Cc1cc(Oc2ccccc2)nc([C@H]2CCN(C(=O)CN)C2)n1 ZINC000072384454 191143464 /nfs/dbraw/zinc/14/34/64/191143464.db2.gz YLSLINSFGSIPIS-ZDUSSCGKSA-N 0 3 312.373 1.852 40 0 DDABHN CCn1ccnc1CN1CCC2(C[C@H](NC(C)=O)CN2C)CC1 ZINC000019704258 352168973 /nfs/dbraw/zinc/16/89/73/352168973.db2.gz WLYBTDNYUZVKTN-HNNXBMFYSA-N 0 3 319.453 1.078 40 0 DDABHN Cc1ccccc1OC[C@]1(O)COCCN(C2CCOCC2)C1 ZINC000585275296 354819352 /nfs/dbraw/zinc/81/93/52/354819352.db2.gz CLAPQWRVWKAJSR-GOSISDBHSA-N 0 3 321.417 1.616 40 0 DDABHN NCC(=O)N1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257340565 203061951 /nfs/dbraw/zinc/06/19/51/203061951.db2.gz ZGRVDZJDHUCALH-UHFFFAOYSA-N 0 3 312.377 1.280 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053943 193505683 /nfs/dbraw/zinc/50/56/83/193505683.db2.gz YYKAFNSZVQKKBB-OKILXGFUSA-N 0 3 314.414 1.742 40 0 DDABHN COCC(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586650 182132592 /nfs/dbraw/zinc/13/25/92/182132592.db2.gz MWGWHBUBGYUYIY-UHFFFAOYSA-N 0 3 318.417 1.955 40 0 DDABHN O=C(CN1CCNCC1)Nc1ccccc1OC(F)(F)F ZINC000023292114 182356742 /nfs/dbraw/zinc/35/67/42/182356742.db2.gz FOQLXLBPEAFTOK-UHFFFAOYSA-N 0 3 303.284 1.429 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000078706833 407042550 /nfs/dbraw/zinc/04/25/50/407042550.db2.gz FPYBZMFBDLDMED-OAHLLOKOSA-N 0 3 318.421 1.292 40 0 DDABHN CCOC(=O)[C@H]1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N32 ZINC000050353393 407129863 /nfs/dbraw/zinc/12/98/63/407129863.db2.gz BUANTXPATFEOJA-XHJNMGKDSA-N 0 3 323.389 1.313 40 0 DDABHN CCOC(=O)C1C(=O)[C@@H](C(=O)OC)[C@@H]2CCC[C@@H]3CCC[C@H]1N32 ZINC000050353393 407129865 /nfs/dbraw/zinc/12/98/65/407129865.db2.gz BUANTXPATFEOJA-XHJNMGKDSA-N 0 3 323.389 1.313 40 0 DDABHN CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1ccccn1)C2 ZINC000096214880 407251249 /nfs/dbraw/zinc/25/12/49/407251249.db2.gz MZNVFQUREBMVEO-SFHVURJKSA-N 0 3 316.449 1.600 40 0 DDABHN O=C([C@H]1CCCO1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228796 407254093 /nfs/dbraw/zinc/25/40/93/407254093.db2.gz YKISACPCJDJMTE-AEFFLSMTSA-N 0 3 322.449 1.516 40 0 DDABHN CCN1CCNC(=O)C12CCN(Cc1cccc(F)c1)CC2 ZINC000096230166 407254283 /nfs/dbraw/zinc/25/42/83/407254283.db2.gz MLOGVBDXHNGSGN-UHFFFAOYSA-N 0 3 305.397 1.612 40 0 DDABHN Cn1cccc1C(=O)N1CCc2c(CN3CCCC3)n[nH]c2C1 ZINC000096255860 407256739 /nfs/dbraw/zinc/25/67/39/407256739.db2.gz DCQWCGSHYGCCRO-UHFFFAOYSA-N 0 3 313.405 1.543 40 0 DDABHN O=C(NC1CC1)[C@H]1CN(CCc2ccccc2)C[C@H]2OCC[C@H]21 ZINC000096041170 407225225 /nfs/dbraw/zinc/22/52/25/407225225.db2.gz HJPZKXPRORVHEU-OKZBNKHCSA-N 0 3 314.429 1.845 40 0 DDABHN COCCN1CCOC[C@]2(CCCN(Cc3ccco3)C2)C1 ZINC000096049453 407227614 /nfs/dbraw/zinc/22/76/14/407227614.db2.gz LOFVRMXGKXOCTC-QGZVFWFLSA-N 0 3 308.422 1.840 40 0 DDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3cccnc3)C[C@@H]21)C1CC1 ZINC000096056276 407229125 /nfs/dbraw/zinc/22/91/25/407229125.db2.gz NRXKAOQBVWQIHQ-YESZJQIVSA-N 0 3 315.417 1.445 40 0 DDABHN O=C1C[C@@H]2[C@H](CCN2Cc2ccncc2)N1Cc1ccncc1 ZINC000096055684 407229141 /nfs/dbraw/zinc/22/91/41/407229141.db2.gz LRLLMLHDVUMMIG-DLBZAZTESA-N 0 3 308.385 1.852 40 0 DDABHN CN1CCN(C[C@H]2OC[C@@H]3CCN(Cc4ccoc4)C[C@@H]32)CC1 ZINC000096056257 407229562 /nfs/dbraw/zinc/22/95/62/407229562.db2.gz RRQUDCAZBCAIBP-OKZBNKHCSA-N 0 3 319.449 1.364 40 0 DDABHN COCCN1CCC2(CCCN(C(=O)c3cnccn3)C2)CC1 ZINC000096071793 407233956 /nfs/dbraw/zinc/23/39/56/407233956.db2.gz YSTONOCOODQBOF-UHFFFAOYSA-N 0 3 318.421 1.441 40 0 DDABHN O=C1[C@@H]2CCN(CC3CC3)C[C@@H]2OCCN1c1cccnc1 ZINC000096107135 407237429 /nfs/dbraw/zinc/23/74/29/407237429.db2.gz KZOLYGCCWZYAJF-CVEARBPZSA-N 0 3 301.390 1.545 40 0 DDABHN COCCN1CCN(CC2CCOCC2)Cc2cccnc21 ZINC000096198869 407247345 /nfs/dbraw/zinc/24/73/45/407247345.db2.gz LWRJMRLAKILSGX-UHFFFAOYSA-N 0 3 305.422 1.777 40 0 DDABHN Cn1cc(CNC(=O)N2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cn1 ZINC000096450957 407268112 /nfs/dbraw/zinc/26/81/12/407268112.db2.gz UFIVOAFNBCQCEZ-IMJJTQAJSA-N 0 3 317.437 1.436 40 0 DDABHN O=C([C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCO1 ZINC000097953649 407303893 /nfs/dbraw/zinc/30/38/93/407303893.db2.gz KNWOUVLJIVOFQZ-SOUVJXGZSA-N 0 3 322.430 1.749 40 0 DDABHN Cn1cc(CN2C[C@@H]3C[C@H](C(=O)NC4CCC4)C[C@@H]3C2)cn1 ZINC000107802067 407380170 /nfs/dbraw/zinc/38/01/70/407380170.db2.gz BNUNCZNWCGPKMA-QKDCVEJESA-N 0 3 302.422 1.547 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2ccc(F)cc2)[C@@H]1S(C)(=O)=O ZINC000218516134 407518893 /nfs/dbraw/zinc/51/88/93/407518893.db2.gz GOFMPXOHXQZUAS-IHRRRGAJSA-N 0 3 301.383 1.318 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218567885 407522396 /nfs/dbraw/zinc/52/23/96/407522396.db2.gz CNDNXYYGASASDE-ILXRZTDVSA-N 0 3 315.410 1.708 40 0 DDABHN Cc1ccc(N2CC[C@@H]3[C@H](CC2)OCCN3CC2CC2)nn1 ZINC000247930010 408516783 /nfs/dbraw/zinc/51/67/83/408516783.db2.gz QKBXDFSSZSDOGK-CVEARBPZSA-N 0 3 302.422 1.865 40 0 DDABHN CN(C)CCN1CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccsc1 ZINC000306134149 231087608 /nfs/dbraw/zinc/08/76/08/231087608.db2.gz NEKDZFWFYGRYRS-HUUCEWRRSA-N 0 3 307.463 1.527 40 0 DDABHN C[C@H](N)C(=O)N(C)C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079393075 185168788 /nfs/dbraw/zinc/16/87/88/185168788.db2.gz BXEBNNKBZYDGEF-DZGCQCFKSA-N 0 3 319.405 1.593 40 0 DDABHN CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072380897 191143270 /nfs/dbraw/zinc/14/32/70/191143270.db2.gz HEBVZSJNTKXQBF-LLVKDONJSA-N 0 3 306.391 1.592 40 0 DDABHN c1ccc(-c2cc(CNCCN3CCCC3)c3nnnn3c2)cc1 ZINC000072392326 191148598 /nfs/dbraw/zinc/14/85/98/191148598.db2.gz WTCYUAFEXFIIGB-UHFFFAOYSA-N 0 3 322.416 1.977 40 0 DDABHN CNc1cc(CN(C)C(=O)C(C)(C)OC)nc([C@@H]2CCCN2)n1 ZINC000019760007 352169997 /nfs/dbraw/zinc/16/99/97/352169997.db2.gz OGLWLUJYNZCEKT-LBPRGKRZSA-N 0 3 321.425 1.326 40 0 DDABHN COc1ccc(Cc2nsc(N3CCNCC3)n2)cc1OC ZINC000216642333 354313004 /nfs/dbraw/zinc/31/30/04/354313004.db2.gz PHJASVVJXZETIZ-UHFFFAOYSA-N 0 3 320.418 1.556 40 0 DDABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C(=O)c1ccncn1)C2 ZINC000257270545 203000331 /nfs/dbraw/zinc/00/03/31/203000331.db2.gz MURNQGJFUSRJDF-FAYQHZLMSA-N 0 3 300.406 1.954 40 0 DDABHN CN(C)Cc1c[nH]c([C@H]2CN(CC3CCOCC3)CCO2)n1 ZINC000257270679 203000552 /nfs/dbraw/zinc/00/05/52/203000552.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 0 3 308.426 1.271 40 0 DDABHN CN(C)Cc1cnc([C@H]2CN(CC3CCOCC3)CCO2)[nH]1 ZINC000257270679 203000555 /nfs/dbraw/zinc/00/05/55/203000555.db2.gz MVFRPTMPRVBXRK-OAHLLOKOSA-N 0 3 308.426 1.271 40 0 DDABHN CN1CCC(c2nccnc2CNC(=O)[C@@H]2CCCCO2)CC1 ZINC000257342533 203064304 /nfs/dbraw/zinc/06/43/04/203064304.db2.gz ZPBKPOCYKOESEO-HNNXBMFYSA-N 0 3 318.421 1.471 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccn3C)CCO2)c1 ZINC000257343864 203066866 /nfs/dbraw/zinc/06/68/66/203066866.db2.gz ZURVCVISOMNYAF-INIZCTEOSA-N 0 3 314.389 1.984 40 0 DDABHN Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000022829959 182335784 /nfs/dbraw/zinc/33/57/84/182335784.db2.gz CJJCUNVVAXEEOC-INIZCTEOSA-N 0 3 319.449 1.516 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@]1(CN)COC ZINC000242437509 257120779 /nfs/dbraw/zinc/12/07/79/257120779.db2.gz CDXPMXLRYGCAKL-MJBXVCDLSA-N 0 3 301.383 1.318 40 0 DDABHN CC(C)(C)OC[C@@H](O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000000489221 406651506 /nfs/dbraw/zinc/65/15/06/406651506.db2.gz SKKYDNDIAARCMO-ZNMIVQPWSA-N 0 3 320.433 1.443 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)cc1C ZINC000006953173 406745904 /nfs/dbraw/zinc/74/59/04/406745904.db2.gz DWJAWCXTFSTYNO-AWEZNQCLSA-N 0 3 303.406 1.842 40 0 DDABHN O=C(COc1ccc(CN2CC[C@H](CO)C2)cc1)N1CCCC1 ZINC000013995816 406869284 /nfs/dbraw/zinc/86/92/84/406869284.db2.gz OSUQPRVBAKUAML-INIZCTEOSA-N 0 3 318.417 1.502 40 0 DDABHN C[C@H](N)C(=O)N1CCC[C@@H](N(C(=O)OC(C)(C)C)C2CC2)C1 ZINC000079409898 407054944 /nfs/dbraw/zinc/05/49/44/407054944.db2.gz IYJLJQXADNBWRC-WCQYABFASA-N 0 3 311.426 1.724 40 0 DDABHN COCCN1CCC2(C[C@H](c3cccnc3)C(=O)N2C)CC1 ZINC000096261166 407258050 /nfs/dbraw/zinc/25/80/50/407258050.db2.gz GMWLMCGCIJFIHC-OAHLLOKOSA-N 0 3 303.406 1.508 40 0 DDABHN c1ccc(CN2C[C@@H](N3CCOCC3)[C@H]3OCCC[C@H]3C2)nc1 ZINC000096040616 407225042 /nfs/dbraw/zinc/22/50/42/407225042.db2.gz OCCVTXKGTZZNRR-JQHSSLGASA-N 0 3 317.433 1.393 40 0 DDABHN O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 ZINC000096043000 407226424 /nfs/dbraw/zinc/22/64/24/407226424.db2.gz KBCMLLPJUCQKQL-RYQLBKOJSA-N 0 3 314.429 1.987 40 0 DDABHN O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccco3)C[C@H]2C1 ZINC000096053920 407229476 /nfs/dbraw/zinc/22/94/76/407229476.db2.gz XDVCFIAIKBRDLH-RYUDHWBXSA-N 0 3 303.387 1.940 40 0 DDABHN COCCN1CC[C@]2(C1)COCCN(Cc1c(C)noc1C)C2 ZINC000096062305 407232722 /nfs/dbraw/zinc/23/27/22/407232722.db2.gz VQBNOEZESWHJHL-QGZVFWFLSA-N 0 3 323.437 1.462 40 0 DDABHN C[C@H]1CN(C)C[C@@]12COCCN(C(=O)c1ccncc1F)C2 ZINC000096070407 407234199 /nfs/dbraw/zinc/23/41/99/407234199.db2.gz BDVHNCOQTCVSEL-BLLLJJGKSA-N 0 3 307.369 1.261 40 0 DDABHN Cc1ccc(CN2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)o1 ZINC000096108694 407237334 /nfs/dbraw/zinc/23/73/34/407237334.db2.gz IXICQIFSHOPHLY-PBHICJAKSA-N 0 3 322.405 1.141 40 0 DDABHN c1ccc(CN2CCOC3(CCN([C@@H]4CCOC4)CC3)C2)nc1 ZINC000096158847 407241633 /nfs/dbraw/zinc/24/16/33/407241633.db2.gz YVKUVGOSQNHZPZ-QGZVFWFLSA-N 0 3 317.433 1.537 40 0 DDABHN CN(C)C[C@H]1OC[C@@H]2CCN(C(=O)NCc3ccccc3)C[C@@H]21 ZINC000096185405 407244715 /nfs/dbraw/zinc/24/47/15/407244715.db2.gz OTDWSOWHQWOMTL-YESZJQIVSA-N 0 3 317.433 1.795 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3cncn3C)CC2)C1=O ZINC000108532332 407387237 /nfs/dbraw/zinc/38/72/37/407387237.db2.gz WAUZXGRGZFQJRF-KRWDZBQOSA-N 0 3 320.437 1.271 40 0 DDABHN COc1ccc(CN2C[C@H](C(=O)N(C)C)[C@H]3OCC[C@H]32)cc1 ZINC000108530430 407387242 /nfs/dbraw/zinc/38/72/42/407387242.db2.gz ZEMZGTFYGADXSL-ARFHVFGLSA-N 0 3 304.390 1.373 40 0 DDABHN COc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c([O-])c1 ZINC000257236552 407509220 /nfs/dbraw/zinc/50/92/20/407509220.db2.gz HCRSFIMKZRQLHW-IIAWOOMASA-N 0 3 320.389 1.118 40 0 DDABHN Cc1nc(N)cc([C@@H]2CCCN2C(=O)CN(C)C2CCCC2)n1 ZINC000257217380 407501446 /nfs/dbraw/zinc/50/14/46/407501446.db2.gz CYRZTYCTJKFPQM-HNNXBMFYSA-N 0 3 317.437 1.905 40 0 DDABHN C[C@@]1(NCCNCc2cccc(Cl)c2)CCS(=O)(=O)C1 ZINC000575423065 422297298 /nfs/dbraw/zinc/29/72/98/422297298.db2.gz XWVMNLKDVMONJR-CQSZACIVSA-N 0 3 316.854 1.596 40 0 DDABHN O=S1(=O)CC[C@H](NCCNCc2ccccc2Cl)C1 ZINC000575423222 422297330 /nfs/dbraw/zinc/29/73/30/422297330.db2.gz ZIXFIDGICCTSND-LBPRGKRZSA-N 0 3 302.827 1.206 40 0 DDABHN CN(C)CCN1CC[C@]2(CCCN(C(=O)c3ccc[nH]3)C2)C1=O ZINC000096223898 276789956 /nfs/dbraw/zinc/78/99/56/276789956.db2.gz HDLQQQAIRDBOOY-KRWDZBQOSA-N 0 3 318.421 1.031 40 0 DDABHN Cc1cc(C(=O)N2Cc3ccnn3[C@H](CN(C)C)C2)cc(C)n1 ZINC000248112209 280345342 /nfs/dbraw/zinc/34/53/42/280345342.db2.gz KJMZSZYIACBVEL-MRXNPFEDSA-N 0 3 313.405 1.654 40 0 DDABHN Cc1cc2cc3c(cc2n2c(=O)n(CCN(C)C)nc12)OCO3 ZINC000072346991 280696981 /nfs/dbraw/zinc/69/69/81/280696981.db2.gz LFKKYXFSTCVXQT-UHFFFAOYSA-N 0 3 314.345 1.248 40 0 DDABHN CN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CN ZINC000079392853 185168595 /nfs/dbraw/zinc/16/85/95/185168595.db2.gz KBSCBQHYXPBTFO-CQSZACIVSA-N 0 3 305.378 1.062 40 0 DDABHN COc1cc(CN2CC3(C2)C[C@@H](CO)CN3C)cc(OC)c1 ZINC000585093861 354803139 /nfs/dbraw/zinc/80/31/39/354803139.db2.gz KSMYZUZPCQBALD-CQSZACIVSA-N 0 3 306.406 1.202 40 0 DDABHN Cn1cc(CN2CCC[C@]23CC(C)(C)O[C@H]3CC(N)=O)cn1 ZINC000585292080 354826136 /nfs/dbraw/zinc/82/61/36/354826136.db2.gz WSWKSGYVEQDOSV-XJKSGUPXSA-N 0 3 306.410 1.198 40 0 DDABHN CCOCCCNCC(=O)Nc1ccccc1N1CCOCC1 ZINC000004896603 181169068 /nfs/dbraw/zinc/16/90/68/181169068.db2.gz QTWXJHFONBBPCO-UHFFFAOYSA-N 0 3 321.421 1.478 40 0 DDABHN COc1ccccc1[C@@H]1CNCCN1C(=O)Cc1c[nH]cn1 ZINC000257332714 203055152 /nfs/dbraw/zinc/05/51/52/203055152.db2.gz XYJDCQKFZZJJDK-AWEZNQCLSA-N 0 3 300.362 1.134 40 0 DDABHN COCCNCc1cc2c(C)cc(C)cc2n2c1nn(C)c2=O ZINC000019569344 182130339 /nfs/dbraw/zinc/13/03/39/182130339.db2.gz LZYDJAFSVWNEPG-UHFFFAOYSA-N 0 3 314.389 1.539 40 0 DDABHN CCN1CCC2(CC1)CNS(=O)(=O)c1ccccc1OC2 ZINC000096263459 285192480 /nfs/dbraw/zinc/19/24/80/285192480.db2.gz MLUZWYDXPNLFPP-UHFFFAOYSA-N 0 3 310.419 1.459 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C)c1C ZINC000006953181 406745656 /nfs/dbraw/zinc/74/56/56/406745656.db2.gz CPGQDJNZYMVUQR-AWEZNQCLSA-N 0 3 303.406 1.842 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000073742885 406893384 /nfs/dbraw/zinc/89/33/84/406893384.db2.gz XXYTXYSRMFRORM-CQSZACIVSA-N 0 3 307.369 1.042 40 0 DDABHN CC(C)(C)OC(=O)NC1CCC(N(C(=O)CN)C2CC2)CC1 ZINC000079391161 407054102 /nfs/dbraw/zinc/05/41/02/407054102.db2.gz CZRKRXDDCSBOEL-UHFFFAOYSA-N 0 3 311.426 1.772 40 0 DDABHN Cc1ccc(N2CC[C@@]3(C2)CN(CCO)CCC3(F)F)nn1 ZINC000096239822 407254712 /nfs/dbraw/zinc/25/47/12/407254712.db2.gz IFDVKRZYDSCPOW-AWEZNQCLSA-N 0 3 312.364 1.315 40 0 DDABHN COCCNC(=O)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 ZINC000096038697 407224307 /nfs/dbraw/zinc/22/43/07/407224307.db2.gz NXXLZNKUJHXQIJ-GDBMZVCRSA-N 0 3 324.446 1.492 40 0 DDABHN O=C([C@@H]1CCOC1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096038524 407224314 /nfs/dbraw/zinc/22/43/14/407224314.db2.gz HQARJSCWCDLRGY-KFWWJZLASA-N 0 3 301.390 1.008 40 0 DDABHN CN(C)CCOC[C@]12CCCO[C@@H]1CCN(C(=O)N(C)C)C2 ZINC000096039571 407225429 /nfs/dbraw/zinc/22/54/29/407225429.db2.gz LQJJNWGUIVIVGB-GDBMZVCRSA-N 0 3 313.442 1.117 40 0 DDABHN COCCO[C@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1 ZINC000096061640 407232140 /nfs/dbraw/zinc/23/21/40/407232140.db2.gz MSEJRPSZQOEEKN-IRXDYDNUSA-N 0 3 319.405 1.862 40 0 DDABHN COCCC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C1 ZINC000096080904 407235348 /nfs/dbraw/zinc/23/53/48/407235348.db2.gz FYLLEDSJVSLJJT-GASCZTMLSA-N 0 3 306.381 1.752 40 0 DDABHN CN1CC[C@]2(C1)COCCN(S(=O)(=O)Cc1ccccc1)C2 ZINC000096201933 407248397 /nfs/dbraw/zinc/24/83/97/407248397.db2.gz JYCFMMWXKPLMSA-MRXNPFEDSA-N 0 3 324.446 1.171 40 0 DDABHN CCO[C@@H]1CCN(Cc2cnn(C)c2)[C@@H]1Cc1cnn(C)c1 ZINC000096200621 407248720 /nfs/dbraw/zinc/24/87/20/407248720.db2.gz KNUDSKMXBQLRSG-HZPDHXFCSA-N 0 3 303.410 1.376 40 0 DDABHN CN(C)C(=O)CN1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096215313 407250508 /nfs/dbraw/zinc/25/05/08/407250508.db2.gz HROQYYJYLPJDIN-SFHVURJKSA-N 0 3 316.449 1.458 40 0 DDABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3nccs3)CC[C@@H]21 ZINC000107202964 407370758 /nfs/dbraw/zinc/37/07/58/407370758.db2.gz UCYYIAFGGFOXIZ-ILXRZTDVSA-N 0 3 322.478 1.516 40 0 DDABHN CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 ZINC000107202974 407371108 /nfs/dbraw/zinc/37/11/08/407371108.db2.gz XSOMKTSMCNNMHK-NJAFHUGGSA-N 0 3 316.449 1.455 40 0 DDABHN CNCC(=O)N1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257203922 407495052 /nfs/dbraw/zinc/49/50/52/407495052.db2.gz ASFDZNTYENPVEL-INIZCTEOSA-N 0 3 320.408 1.985 40 0 DDABHN CN(C)C(=O)[C@H]1CN(C)CCN(Cc2ccc(F)cc2F)C1 ZINC000257267943 407531001 /nfs/dbraw/zinc/53/10/01/407531001.db2.gz MJNMSMORYWBKRK-ZDUSSCGKSA-N 0 3 311.376 1.417 40 0 DDABHN CNC(=O)[C@@H]1CN(C)CCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000257302114 407532837 /nfs/dbraw/zinc/53/28/37/407532837.db2.gz SBPOEGGISSFOBU-SNVBAGLBSA-N 0 3 316.327 1.214 40 0 DDABHN CC(C)CN1CCO[C@H]2CCN(C(=O)c3csnn3)CC[C@H]21 ZINC000248272012 408546007 /nfs/dbraw/zinc/54/60/07/408546007.db2.gz ZVPMVFAQJZGERK-KGLIPLIRSA-N 0 3 324.450 1.500 40 0 DDABHN CC(C)Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328983695 410037805 /nfs/dbraw/zinc/03/78/05/410037805.db2.gz HIHHOFSGHICKRS-UHFFFAOYSA-N 0 3 300.410 1.176 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000079410034 280275387 /nfs/dbraw/zinc/27/53/87/280275387.db2.gz FAJVZULETJMUQB-AVGNSLFASA-N 0 3 313.442 1.922 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)Cc1ccnc(Br)c1 ZINC000079430900 185171136 /nfs/dbraw/zinc/17/11/36/185171136.db2.gz IMHUMBSIWXUUNS-NSHDSACASA-N 0 3 300.200 1.786 40 0 DDABHN C[C@]12CN(C[C@H]3CCOC3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000072395019 191149813 /nfs/dbraw/zinc/14/98/13/191149813.db2.gz VRUPCYKPXRNLEA-DWQUBVKVSA-N 0 3 314.385 1.340 40 0 DDABHN Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096110647 353914375 /nfs/dbraw/zinc/91/43/75/353914375.db2.gz GCSJTYIFZMNOGP-GJZGRUSLSA-N 0 3 310.401 1.624 40 0 DDABHN Cc1cccc(OC[C@]2(O)COCCN(C3CCOCC3)C2)c1 ZINC000585269374 354818604 /nfs/dbraw/zinc/81/86/04/354818604.db2.gz QTJRWTZVMZFUCY-GOSISDBHSA-N 0 3 321.417 1.616 40 0 DDABHN O[C@H]1CCN(C2CCCC2)C[C@]1(O)COc1ccc(F)cc1 ZINC000585283587 354823197 /nfs/dbraw/zinc/82/31/97/354823197.db2.gz SAYNCHVDOSJNNS-IRXDYDNUSA-N 0 3 309.381 1.945 40 0 DDABHN CC(=O)N1CC[C@@H]2[C@@H](C1)CCCCN2C(=O)/C=C/CN(C)C ZINC000585289236 354824794 /nfs/dbraw/zinc/82/47/94/354824794.db2.gz GLXJFUSHMXTUQX-CGMDNHBQSA-N 0 3 307.438 1.354 40 0 DDABHN COC(=O)[C@H]1C[C@@H](O)[C@@H](N2CCC(c3nc(C)cs3)CC2)C1 ZINC000195535718 201401036 /nfs/dbraw/zinc/40/10/36/201401036.db2.gz NUULIFSCPNKZOH-HZSPNIEDSA-N 0 3 324.446 1.943 40 0 DDABHN CC(=O)N[C@@H]1CCOC2(CCN(Cc3cncn3C)CC2)C1 ZINC000257304816 203029477 /nfs/dbraw/zinc/02/94/77/203029477.db2.gz SNGAPPSYDDBQTE-CQSZACIVSA-N 0 3 306.410 1.070 40 0 DDABHN COCCN1CCC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 ZINC000257285303 203012650 /nfs/dbraw/zinc/01/26/50/203012650.db2.gz PGNNEJFWZQYWMF-ZDUSSCGKSA-N 0 3 301.394 1.768 40 0 DDABHN CN(C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1Nc1ncccn1 ZINC000257292479 203017710 /nfs/dbraw/zinc/01/77/10/203017710.db2.gz QLRHNSYYCGNZLS-WCVJEAGWSA-N 0 3 314.389 1.400 40 0 DDABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccn(C)n3)C2)n1 ZINC000257315633 203040074 /nfs/dbraw/zinc/04/00/74/203040074.db2.gz VCFIZYAZGMEXIN-CYBMUJFWSA-N 0 3 313.405 1.819 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(Cl)c2)[C@]1(CN)COC ZINC000252515202 257106372 /nfs/dbraw/zinc/10/63/72/257106372.db2.gz HVXSZJKHIWFJJU-MJBXVCDLSA-N 0 3 317.838 1.832 40 0 DDABHN COC[C@]1(CN)[C@H](c2cccc(Cl)c2)[C@@H]1S(C)(=O)=O ZINC000218419994 257131064 /nfs/dbraw/zinc/13/10/64/257131064.db2.gz NVTZOBTVXRSMQW-FRRDWIJNSA-N 0 3 303.811 1.442 40 0 DDABHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000004763432 257218803 /nfs/dbraw/zinc/21/88/03/257218803.db2.gz LCJOVPVEQHMTHB-ONERCXAPSA-N 0 3 316.405 1.054 40 0 DDABHN COc1ccccc1[C@@H]1NC(=N)Nc2nc(=O)c3ccccc3n21 ZINC000022239227 286513171 /nfs/dbraw/zinc/51/31/71/286513171.db2.gz LLUOLGRIDWVZKS-CQSZACIVSA-N 0 3 321.340 1.692 40 0 DDABHN CC(C)C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000001570242 406671583 /nfs/dbraw/zinc/67/15/83/406671583.db2.gz FVNPLMZSNACTDL-DZGCQCFKSA-N 0 3 316.405 1.054 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1=O ZINC000096223979 407252728 /nfs/dbraw/zinc/25/27/28/407252728.db2.gz ZGZMPKLMRXGKHE-QGZVFWFLSA-N 0 3 303.406 1.543 40 0 DDABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3cccc(C)n3)C2)C1 ZINC000096049610 407227228 /nfs/dbraw/zinc/22/72/28/407227228.db2.gz GUTVAGGAJZFKBI-SFHVURJKSA-N 0 3 317.433 1.965 40 0 DDABHN Cn1cc(N2CC[C@]3(CCN(Cc4ccoc4)C3)C2=O)cn1 ZINC000096050511 407228158 /nfs/dbraw/zinc/22/81/58/407228158.db2.gz FQVBMEAUUNEJJC-INIZCTEOSA-N 0 3 300.362 1.642 40 0 DDABHN c1csc(CN2C[C@H](N3CCOCC3)[C@@H]3OCCC[C@@H]32)c1 ZINC000096056324 407229965 /nfs/dbraw/zinc/22/99/65/407229965.db2.gz RZBNTBRAQPVSIT-HRCADAONSA-N 0 3 308.447 1.812 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1ccccn1)C2 ZINC000096062313 407233047 /nfs/dbraw/zinc/23/30/47/407233047.db2.gz IERNRLRHNPCFLV-KRWDZBQOSA-N 0 3 305.422 1.252 40 0 DDABHN COCCC(=O)N1CC2(C1)CCN(Cc1ccncc1)CC2 ZINC000096070987 407233836 /nfs/dbraw/zinc/23/38/36/407233836.db2.gz PFOOEAZIYUDNDX-UHFFFAOYSA-N 0 3 303.406 1.543 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1cc(C)nc(C)c1)CC[C@H]2OC ZINC000096108539 407237443 /nfs/dbraw/zinc/23/74/43/407237443.db2.gz CRGCITTXDQVTEP-GVDBMIGSSA-N 0 3 317.433 1.880 40 0 DDABHN CN(C)CCOCc1cncc2c1CCN([C@H]1CCOC1)C2 ZINC000096189351 407246929 /nfs/dbraw/zinc/24/69/29/407246929.db2.gz CMDMRHBVMQIGQD-INIZCTEOSA-N 0 3 305.422 1.307 40 0 DDABHN Cn1cncc1CN1CC[C@]2(CCC[C@H]2C(=O)NC2CC2)C1 ZINC000108531518 407387708 /nfs/dbraw/zinc/38/77/08/407387708.db2.gz HFJSZEDIRLOTDR-DOTOQJQBSA-N 0 3 302.422 1.691 40 0 DDABHN Cc1cccnc1Nc1nccc([C@@H]2CCN(C(=O)CN)C2)n1 ZINC000257216290 407499005 /nfs/dbraw/zinc/49/90/05/407499005.db2.gz CTWLDALYZPYJNS-GFCCVEGCSA-N 0 3 312.377 1.198 40 0 DDABHN OCCN1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1 ZINC000257216001 407501068 /nfs/dbraw/zinc/50/10/68/407501068.db2.gz CSPUOVXOZCGWRW-LBPRGKRZSA-N 0 3 300.366 1.182 40 0 DDABHN CC(=O)NCc1c[nH]c([C@H]2CCN(Cc3ncccc3C)C2)n1 ZINC000257238848 407512406 /nfs/dbraw/zinc/51/24/06/407512406.db2.gz HMTQYRZKVSXNOO-AWEZNQCLSA-N 0 3 313.405 1.739 40 0 DDABHN Cc1c2ccccc2oc1C(=O)N1CC[C@](O)(CN(C)C)C1 ZINC000257258777 407524098 /nfs/dbraw/zinc/52/40/98/407524098.db2.gz KVMJQKNKUNDOLY-KRWDZBQOSA-N 0 3 302.374 1.880 40 0 DDABHN COCCN1CC[C@@H](Cc2cnc(-c3cnn(C)c3)cn2)C1 ZINC000257263966 407527308 /nfs/dbraw/zinc/52/73/08/407527308.db2.gz LSGZFNQCEIUYAK-ZDUSSCGKSA-N 0 3 301.394 1.388 40 0 DDABHN CN(C)CCNC(=O)c1nc([C@H]2CCCN2C)n2ccccc12 ZINC000306132844 409771023 /nfs/dbraw/zinc/77/10/23/409771023.db2.gz LUBWZJZQOQQEJU-CQSZACIVSA-N 0 3 315.421 1.392 40 0 DDABHN CN(C)CCNc1nc(NCc2ccccc2)cc(C2CC2)n1 ZINC000329022136 410056929 /nfs/dbraw/zinc/05/69/29/410056929.db2.gz OKZCIDNGRNHJMI-UHFFFAOYSA-N 0 3 311.433 1.783 40 0 DDABHN O=C(N1CCCO1)[C@@]12CCO[C@@H]1CCN(Cc1ccco1)C2 ZINC000097953376 332203379 /nfs/dbraw/zinc/20/33/79/332203379.db2.gz UWPZMXACZISPRK-GDBMZVCRSA-N 0 3 306.362 1.425 40 0 DDABHN CN1CCC(c2ccc(N[C@@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000072365189 191134162 /nfs/dbraw/zinc/13/41/62/191134162.db2.gz IHZGCEYYNMIUGL-CQSZACIVSA-N 0 3 309.435 1.490 40 0 DDABHN COc1ccc(CCNC(=O)CNC[C@@H]2CCCO2)cc1OC ZINC000004400549 181107383 /nfs/dbraw/zinc/10/73/83/181107383.db2.gz GPTOJUBVJNTQAA-AWEZNQCLSA-N 0 3 322.405 1.131 40 0 DDABHN O=C(c1cccc(F)c1)N1CC2(C1)C[C@@H](CO)CN2CC1CC1 ZINC000585093757 354803652 /nfs/dbraw/zinc/80/36/52/354803652.db2.gz CPPCGAGAZNGLAW-CQSZACIVSA-N 0 3 318.392 1.745 40 0 DDABHN CC1CC(C(=O)N2CCC[C@@]3(CCN(CCN(C)C)C3=O)C2)C1 ZINC000585101005 354806618 /nfs/dbraw/zinc/80/66/18/354806618.db2.gz SJOMUPFXNZZPCG-JTTJXQCZSA-N 0 3 321.465 1.435 40 0 DDABHN CNC(=O)C[C@@H]1CN(CCCOc2ccccc2F)C[C@@H]1OC ZINC000585278181 354821643 /nfs/dbraw/zinc/82/16/43/354821643.db2.gz MMJNUDBKHUUEFU-CJNGLKHVSA-N 0 3 324.396 1.678 40 0 DDABHN CCCc1ccc(CN(CCC)C[C@@H]2COC[C@@H](O)[C@H]2O)o1 ZINC000585292007 354826683 /nfs/dbraw/zinc/82/66/83/354826683.db2.gz VJBYIYVGFSOTAP-XYPHTWIQSA-N 0 3 311.422 1.812 40 0 DDABHN COCCN1CCC(Cc2cnc(N3CCOC3=O)cn2)CC1 ZINC000257300768 203026548 /nfs/dbraw/zinc/02/65/48/203026548.db2.gz RVPHQTLNHROXRH-UHFFFAOYSA-N 0 3 320.393 1.334 40 0 DDABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cccn3C)CCO2)n1 ZINC000257317663 203041386 /nfs/dbraw/zinc/04/13/86/203041386.db2.gz VKRAPOHDKARCAE-OAHLLOKOSA-N 0 3 300.362 1.524 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2cccc(F)c2)[C@]1(CN)COC ZINC000242688162 257120502 /nfs/dbraw/zinc/12/05/02/257120502.db2.gz VIEAGEMYHAWIPR-MJBXVCDLSA-N 0 3 301.383 1.318 40 0 DDABHN O=C(c1ccoc1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 ZINC000096246134 407255697 /nfs/dbraw/zinc/25/56/97/407255697.db2.gz HPYNXGJPIYYTLN-NUEKZKHPSA-N 0 3 304.390 1.853 40 0 DDABHN c1cncc(CN2CCc3ncnc([C@@H]4CCOC4)c3CC2)c1 ZINC000096058651 407231249 /nfs/dbraw/zinc/23/12/49/407231249.db2.gz FWBSPPUAGIVMEG-OAHLLOKOSA-N 0 3 310.401 1.976 40 0 DDABHN C[C@H](O)CN1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC000096074696 407234726 /nfs/dbraw/zinc/23/47/26/407234726.db2.gz FEECHGSLMOWDLY-HNNXBMFYSA-N 0 3 322.424 1.873 40 0 DDABHN CCOC(=O)N1CCC(CN)(NC(=O)OC(C)(C)C)CC1 ZINC000096102469 407236963 /nfs/dbraw/zinc/23/69/63/407236963.db2.gz DMYVOHPNVAJUTM-UHFFFAOYSA-N 0 3 301.387 1.461 40 0 DDABHN CCN(CC)Cc1cnc2n1CCN(c1ncccn1)CC2 ZINC000096196829 407246992 /nfs/dbraw/zinc/24/69/92/407246992.db2.gz NWCNDBHJLDBYGE-UHFFFAOYSA-N 0 3 300.410 1.578 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1cccnc1)C2 ZINC000096201980 407248841 /nfs/dbraw/zinc/24/88/41/407248841.db2.gz MSTNWRWLENVGAX-KRWDZBQOSA-N 0 3 305.422 1.252 40 0 DDABHN OC1(CN2CCCC[C@@H]2c2ccn3nccc3n2)CCOCC1 ZINC000257314228 407534454 /nfs/dbraw/zinc/53/44/54/407534454.db2.gz UVXZRMXHBONJTF-OAHLLOKOSA-N 0 3 316.405 1.798 40 0 DDABHN C[C@@H]1C[C@H](NC(=O)[C@@](C)(O)CCc2ccccc2)CCN1C ZINC000330389265 410662500 /nfs/dbraw/zinc/66/25/00/410662500.db2.gz DXIMROQBLROYKM-KYJSFNMBSA-N 0 3 304.434 1.969 40 0 DDABHN CC(C)N(C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)CN ZINC000079391117 279447070 /nfs/dbraw/zinc/44/70/70/279447070.db2.gz PHJOMBZUSXIMBD-CYBMUJFWSA-N 0 3 313.442 1.829 40 0 DDABHN CN(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392871 281724906 /nfs/dbraw/zinc/72/49/06/281724906.db2.gz QNMSPXSGYNATLX-LSDHHAIUSA-N 0 3 319.405 1.641 40 0 DDABHN CCN1C(=O)C2C(=O)N(C(C)C)[C@H](c3ccccc3)[C@H]2C1=O ZINC000144574404 354154249 /nfs/dbraw/zinc/15/42/49/354154249.db2.gz SDICSAVCPSQWQE-MELADBBJSA-N 0 3 300.358 1.599 40 0 DDABHN CN1CCC(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)CC1 ZINC000585269520 354818679 /nfs/dbraw/zinc/81/86/79/354818679.db2.gz XXPMUHRFUDHTKD-SFHVURJKSA-N 0 3 318.417 1.371 40 0 DDABHN O[C@@H]1COC[C@@H](CNCc2cccc(OC3CCCC3)c2)[C@@H]1O ZINC000585286066 354824153 /nfs/dbraw/zinc/82/41/53/354824153.db2.gz ISHYFRKUMAWUMX-OLMNPRSZSA-N 0 3 321.417 1.466 40 0 DDABHN Cc1c(CN(C)C[C@@H]2COC[C@@H](O)[C@H]2O)oc2cc(C)ccc12 ZINC000585291928 354826337 /nfs/dbraw/zinc/82/63/37/354826337.db2.gz STNNXYUKXCKVKS-SIIHOXLZSA-N 0 3 319.401 1.850 40 0 DDABHN Cc1c(CNCc2ccnn2CCF)cnn1CC(F)F ZINC000256054017 202923501 /nfs/dbraw/zinc/92/35/01/202923501.db2.gz UQFKGKIVWCMWJE-UHFFFAOYSA-N 0 3 301.316 1.912 40 0 DDABHN CN(C)Cc1cnc([C@H]2CN(CCC(F)(F)F)CCO2)[nH]1 ZINC000257303077 203027967 /nfs/dbraw/zinc/02/79/67/203027967.db2.gz SFRFULVWDVZTIA-LLVKDONJSA-N 0 3 306.332 1.797 40 0 DDABHN CN(C)CCNc1cccc([C@@H]2CCCN2S(C)(=O)=O)n1 ZINC000257303023 203028077 /nfs/dbraw/zinc/02/80/77/203028077.db2.gz SFLNMQMRXOZHOL-ZDUSSCGKSA-N 0 3 312.439 1.152 40 0 DDABHN CC(=O)N1CCC(O)(CN2CCC[C@H]2c2cncc(C)n2)CC1 ZINC000257293086 203017220 /nfs/dbraw/zinc/01/72/20/203017220.db2.gz QOAWYWOICMDTSP-INIZCTEOSA-N 0 3 318.421 1.295 40 0 DDABHN CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(CN(C)C)cc2)[C@H]1O ZINC000257319381 203041991 /nfs/dbraw/zinc/04/19/91/203041991.db2.gz VSECOPPPRQQHSI-BZUAXINKSA-N 0 3 306.406 1.406 40 0 DDABHN COCCC(=O)N1CCC(c2ncc3c(n2)CCN(C)C3)CC1 ZINC000019590667 182132113 /nfs/dbraw/zinc/13/21/13/182132113.db2.gz XMSNMZSIFHFNLL-UHFFFAOYSA-N 0 3 318.421 1.207 40 0 DDABHN O=C1CO[C@H]2CN(C3CCOCC3)C[C@H]2N1c1ccccc1 ZINC000067897063 296341208 /nfs/dbraw/zinc/34/12/08/296341208.db2.gz GHGCHIIKLGYTSF-CVEARBPZSA-N 0 3 302.374 1.282 40 0 biogenic,in-vitro DDABHN CCOC(=O)[C@@]1(CN)[C@H](S(=O)(=O)CC)[C@H]1c1ccccc1 ZINC000242688173 257120368 /nfs/dbraw/zinc/12/03/68/257120368.db2.gz VJIVNVRXMXWSGF-UMVBOHGHSA-N 0 3 311.403 1.095 40 0 DDABHN COC[C@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218421826 257130908 /nfs/dbraw/zinc/13/09/08/257130908.db2.gz XSXFOGHGWCUQCY-RWMBFGLXSA-N 0 3 303.811 1.442 40 0 DDABHN OCC(CO)(CO)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000001668882 406674545 /nfs/dbraw/zinc/67/45/45/406674545.db2.gz WHDOWGMCGHODFS-KRWDZBQOSA-N 0 3 301.386 1.276 40 0 DDABHN Cc1ccc(C(C)C)c(OC[C@@H](O)CN(CCO)CCO)c1 ZINC000002686804 406695486 /nfs/dbraw/zinc/69/54/86/406695486.db2.gz ZWFOAIGHKQJGOT-HNNXBMFYSA-N 0 3 311.422 1.145 40 0 DDABHN COCCn1cc2c(n1)[C@@H](CNCc1ccsc1)OCC2 ZINC000096044293 407226483 /nfs/dbraw/zinc/22/64/83/407226483.db2.gz NPKRWAWDAJRGOD-CQSZACIVSA-N 0 3 307.419 1.995 40 0 DDABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3cccnc3)C2)O1 ZINC000096052296 407227935 /nfs/dbraw/zinc/22/79/35/407227935.db2.gz OWGGTNZSCUXPGU-SJORKVTESA-N 0 3 305.422 1.393 40 0 DDABHN CN(C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1cccs1 ZINC000096056480 407231042 /nfs/dbraw/zinc/23/10/42/407231042.db2.gz NVAXSXSFEOLUSK-CHWSQXEVSA-N 0 3 321.446 1.515 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2cccnc2)[C@H]1Cc1ccncc1 ZINC000096061736 407232132 /nfs/dbraw/zinc/23/21/32/407232132.db2.gz XFQHNKWKSDQGKZ-SJORKVTESA-N 0 3 310.401 1.864 40 0 DDABHN COCCN1CC[C@H]2O[C@@H](C(=O)NCc3cccs3)CC[C@H]21 ZINC000096065523 407232885 /nfs/dbraw/zinc/23/28/85/407232885.db2.gz ARKGJIGAHDDQAP-RBSFLKMASA-N 0 3 324.446 1.633 40 0 DDABHN CCOC(=O)c1cnc2cc(F)ccc2c1N1CCNCC1 ZINC000064874575 407239308 /nfs/dbraw/zinc/23/93/08/407239308.db2.gz LUMYGSQFRKFQBB-UHFFFAOYSA-N 0 3 303.337 1.960 40 0 DDABHN c1ccc(CN2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC000096183397 407243219 /nfs/dbraw/zinc/24/32/19/407243219.db2.gz BQQPCFDOEJXRCJ-RBUKOAKNSA-N 0 3 324.428 1.952 40 0 DDABHN Cn1ccnc1CN1C[C@@H](c2ccccc2)[C@@]2(CCNC2=O)C1 ZINC000096201812 407248324 /nfs/dbraw/zinc/24/83/24/407248324.db2.gz HEJMDXPKGYRDCO-MAUKXSAKSA-N 0 3 310.401 1.526 40 0 DDABHN O=C(C[C@]12COC[C@H]1CN(Cc1ccco1)C2)N1CCCO1 ZINC000096206642 407249439 /nfs/dbraw/zinc/24/94/39/407249439.db2.gz GELLTRCLQMXRRA-CJNGLKHVSA-N 0 3 306.362 1.282 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)C(C)(C)c2cccc(F)c2)C1 ZINC000257333907 407532643 /nfs/dbraw/zinc/53/26/43/407532643.db2.gz YDQIZDXJRCSRCJ-KRWDZBQOSA-N 0 3 308.397 1.628 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccncc1 ZINC000247941388 408515588 /nfs/dbraw/zinc/51/55/88/408515588.db2.gz ACAYDEMXNRJPKB-KSZLIROESA-N 0 3 319.449 1.639 40 0 DDABHN CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN(C(C)C)C1 ZINC000257232038 277019292 /nfs/dbraw/zinc/01/92/92/277019292.db2.gz GJEHBPXTSYHHEK-GFCCVEGCSA-N 0 3 301.394 1.677 40 0 DDABHN O[C@H]1CCN(c2ncccn2)CC[C@@H]1N1CCC(F)(F)CC1 ZINC000257254133 280444761 /nfs/dbraw/zinc/44/47/61/280444761.db2.gz KBTKGQAPHCPEDE-STQMWFEESA-N 0 3 312.364 1.537 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2CCC(F)(F)F)c1 ZINC000257248258 290634428 /nfs/dbraw/zinc/63/44/28/290634428.db2.gz JCVUDEBMMDDPKB-ZDUSSCGKSA-N 0 3 315.339 1.945 40 0 DDABHN CN(C)Cc1ccccc1CNC(=O)[C@@]1(C)CN(C)CCO1 ZINC000072378285 191140481 /nfs/dbraw/zinc/14/04/81/191140481.db2.gz JWBFHRAOEVZCQB-QGZVFWFLSA-N 0 3 305.422 1.085 40 0 DDABHN CCn1ccnc1CN1CCC2(C[C@@H](NC(C)=O)CN2C)CC1 ZINC000019704257 352168926 /nfs/dbraw/zinc/16/89/26/352168926.db2.gz WLYBTDNYUZVKTN-OAHLLOKOSA-N 0 3 319.453 1.078 40 0 DDABHN COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C)C[C@@H]21 ZINC000585109664 354809385 /nfs/dbraw/zinc/80/93/85/354809385.db2.gz HWGMHBKJBXJJTF-YQQAZPJKSA-N 0 3 304.390 1.166 40 0 DDABHN CO[C@@H]1CCN(Cc2ccc3ccccc3n2)C[C@H]1CC(N)=O ZINC000585277945 354821473 /nfs/dbraw/zinc/82/14/73/354821473.db2.gz YARRYFZDJAZYCM-RHSMWYFYSA-N 0 3 313.401 1.947 40 0 DDABHN CCOc1ccccc1CN1CCN(C)C[C@H](C(=O)NC)C1 ZINC000257285249 203012762 /nfs/dbraw/zinc/01/27/62/203012762.db2.gz PGHLTMHSAKRBIA-HNNXBMFYSA-N 0 3 305.422 1.195 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1nccs1)CCC2 ZINC000096197537 193574846 /nfs/dbraw/zinc/57/48/46/193574846.db2.gz WFFFOYYRLMXHPA-UHFFFAOYSA-N 0 3 319.434 1.167 40 0 DDABHN c1cc(CN2CCC[C@@H]2Cn2nnc(-c3ccncc3)n2)ccn1 ZINC000019405253 182121958 /nfs/dbraw/zinc/12/19/58/182121958.db2.gz NCZQWMJSJHDACI-MRXNPFEDSA-N 0 3 321.388 1.795 40 0 DDABHN O=C1C[C@@H](NCCc2c[nH]cn2)C(=O)N1c1cccc(Cl)c1 ZINC000105331279 194097902 /nfs/dbraw/zinc/09/79/02/194097902.db2.gz BSGOUTAVSXUANY-CYBMUJFWSA-N 0 3 318.764 1.527 40 0 DDABHN CN1CCC[C@@H](NC(=O)COc2ncnc3ccccc32)C1 ZINC000012195060 406839282 /nfs/dbraw/zinc/83/92/82/406839282.db2.gz ALMZOOYBURVWCH-GFCCVEGCSA-N 0 3 300.362 1.219 40 0 DDABHN O=C(c1ccccn1)N1CCCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019400165 406884787 /nfs/dbraw/zinc/88/47/87/406884787.db2.gz KTKDWSHOSPOUOK-MRXNPFEDSA-N 0 3 323.400 1.885 40 0 DDABHN CN(C)CCN1CC[C@@]2(CCCN(C(=O)c3ccc[nH]3)C2)C1=O ZINC000096223900 407252789 /nfs/dbraw/zinc/25/27/89/407252789.db2.gz HDLQQQAIRDBOOY-QGZVFWFLSA-N 0 3 318.421 1.031 40 0 DDABHN O=C1NCCN(CC2CC2)C12CCN(Cc1ccncc1)CC2 ZINC000096230193 407253691 /nfs/dbraw/zinc/25/36/91/407253691.db2.gz HMXGBKUGHKFOSV-UHFFFAOYSA-N 0 3 314.433 1.258 40 0 DDABHN CCN1CCN(C)C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000096230029 407254304 /nfs/dbraw/zinc/25/43/04/407254304.db2.gz JVZPEPCUWZZLAR-UHFFFAOYSA-N 0 3 307.463 1.877 40 0 DDABHN CN(C)C(=O)c1cc2c(nc1NCC1CC1)CCN(C)CC2 ZINC000096260581 407258075 /nfs/dbraw/zinc/25/80/75/407258075.db2.gz PRPXJTUECYTBPG-UHFFFAOYSA-N 0 3 302.422 1.636 40 0 DDABHN COCC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@H]12 ZINC000096040641 407225592 /nfs/dbraw/zinc/22/55/92/407225592.db2.gz WLLCYPFCBHUITM-JZXOWHBKSA-N 0 3 318.417 1.429 40 0 DDABHN CC(C)NC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]21 ZINC000096043401 407225855 /nfs/dbraw/zinc/22/58/55/407225855.db2.gz UPIUMDCPUWYVMO-BZUAXINKSA-N 0 3 320.437 1.172 40 0 DDABHN Cc1ccc(CN2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)o1 ZINC000096057451 407230502 /nfs/dbraw/zinc/23/05/02/407230502.db2.gz XEZADPFSGPLMEL-IKGGRYGDSA-N 0 3 308.422 1.898 40 0 DDABHN O=c1cc(CN2CCCC2)nc2n1CCCN(CC1CC1)C2 ZINC000096059589 407231638 /nfs/dbraw/zinc/23/16/38/407231638.db2.gz HSCAFKLZUMSFEV-UHFFFAOYSA-N 0 3 302.422 1.455 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccc(OC)cc1)CC[C@@H]2OC ZINC000096111056 407238417 /nfs/dbraw/zinc/23/84/17/407238417.db2.gz OZRLFKAEVKHREW-BBWFWOEESA-N 0 3 318.417 1.876 40 0 DDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccccn3)C2)O1 ZINC000096160182 407241489 /nfs/dbraw/zinc/24/14/89/407241489.db2.gz IWXKGMUKUPLKFK-IRXDYDNUSA-N 0 3 305.422 1.393 40 0 DDABHN O=C(c1cnccn1)N1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC000096161593 407242765 /nfs/dbraw/zinc/24/27/65/407242765.db2.gz NTCKQDPDSGXBDI-OKILXGFUSA-N 0 3 309.373 1.076 40 0 DDABHN c1nc2n(c1CN1CCCC1)CCN(C[C@@H]1CCOC1)CC2 ZINC000096196870 407246749 /nfs/dbraw/zinc/24/67/49/407246749.db2.gz MMPSOXVHPKLLMZ-HNNXBMFYSA-N 0 3 304.438 1.374 40 0 DDABHN COCCO[C@@H]1CCN(Cc2ccco2)[C@@H]1Cc1cnn(C)c1 ZINC000096200638 407248626 /nfs/dbraw/zinc/24/86/26/407248626.db2.gz CYSZFWOOESUXSM-IAGOWNOFSA-N 0 3 319.405 1.862 40 0 DDABHN O=C(c1ccncn1)N1C[C@@H](N2CCCC2)[C@H]2OCCC[C@H]2C1 ZINC000107713029 407378846 /nfs/dbraw/zinc/37/88/46/407378846.db2.gz SZEXMUTWXXGHLE-IMJJTQAJSA-N 0 3 316.405 1.192 40 0 DDABHN COCCN1CCO[C@H]2CCN(Cc3ccccc3C)C[C@@H]21 ZINC000108532351 407387772 /nfs/dbraw/zinc/38/77/72/407387772.db2.gz PJTNZHMGUCKOBJ-ROUUACIJSA-N 0 3 304.434 1.917 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O ZINC000218072991 407512188 /nfs/dbraw/zinc/51/21/88/407512188.db2.gz QWCVETLFDNNJIP-ILXRZTDVSA-N 0 3 313.419 1.187 40 0 DDABHN CC(C)(C)OC(=O)N(C[C@H]1CCCN(C(=O)CN)C1)C1CC1 ZINC000079409402 278377717 /nfs/dbraw/zinc/37/77/17/278377717.db2.gz YYZREHXLHGCUTJ-LBPRGKRZSA-N 0 3 311.426 1.583 40 0 DDABHN CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(C(=O)CN)C1 ZINC000079412450 185170206 /nfs/dbraw/zinc/17/02/06/185170206.db2.gz XMZFXTQJXILMAV-HNNXBMFYSA-N 0 3 319.405 1.593 40 0 DDABHN CN(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CN)C1 ZINC000079412298 185170278 /nfs/dbraw/zinc/17/02/78/185170278.db2.gz FPFKKHFPYSAYRQ-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN CN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CN ZINC000079392869 185168323 /nfs/dbraw/zinc/16/83/23/185168323.db2.gz XXRRULAMYMJVDE-UHFFFAOYSA-N 0 3 319.405 1.452 40 0 DDABHN NCC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 ZINC000072382961 191141965 /nfs/dbraw/zinc/14/19/65/191141965.db2.gz KUGDXILIFOWILG-LLVKDONJSA-N 0 3 303.391 1.904 40 0 DDABHN CCOc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCN1CC ZINC000004497950 181115726 /nfs/dbraw/zinc/11/57/26/181115726.db2.gz WHKFWOSNIRUQSY-ZDUSSCGKSA-N 0 3 319.405 1.624 40 0 DDABHN O[C@@H]1COC[C@@H](CNCc2ccccc2OC2CCCC2)[C@@H]1O ZINC000585286630 354824000 /nfs/dbraw/zinc/82/40/00/354824000.db2.gz NSJHELNKIJMTCJ-KYJSFNMBSA-N 0 3 321.417 1.466 40 0 DDABHN CC(C)NC(=O)CNC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O ZINC000585287270 354824404 /nfs/dbraw/zinc/82/44/04/354824404.db2.gz WIQVSFPMGOAYON-SRCQZFHVSA-N 0 3 324.396 1.458 40 0 DDABHN C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1ccc(-c2ccccc2)cc1 ZINC000585295385 354826593 /nfs/dbraw/zinc/82/65/93/354826593.db2.gz XKQROLYNLNZDDP-NUDXDXSLSA-N 0 3 313.397 1.640 40 0 DDABHN O=c1[nH]c(C2CCN([C@H]3COC[C@@H]3O)CC2)cc2ccccc21 ZINC000257298386 203023970 /nfs/dbraw/zinc/02/39/70/203023970.db2.gz RLKPRAWXWOIAMP-IRXDYDNUSA-N 0 3 314.385 1.880 40 0 DDABHN CNc1cc(C)nc([C@@H]2CN(C(=O)c3cccnn3)CCO2)c1 ZINC000257309389 203034422 /nfs/dbraw/zinc/03/44/22/203034422.db2.gz UASNYYVCWZJNHD-HNNXBMFYSA-N 0 3 313.361 1.435 40 0 DDABHN NCC(=O)N1CCC2(CO[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000257327925 203051536 /nfs/dbraw/zinc/05/15/36/203051536.db2.gz XDJZDSUTMOWXAI-HNNXBMFYSA-N 0 3 306.381 1.725 40 0 DDABHN OCCOc1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000257335870 203058307 /nfs/dbraw/zinc/05/83/07/203058307.db2.gz YMGPAJOUPRPXHE-KRWDZBQOSA-N 0 3 321.417 1.564 40 0 DDABHN COc1ccc2[nH]c(=O)c(CNC[C@H]3COCCO3)cc2c1 ZINC000019563541 182130254 /nfs/dbraw/zinc/13/02/54/182130254.db2.gz VQSONHBAQXPUNG-AWEZNQCLSA-N 0 3 304.346 1.042 40 0 DDABHN CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)C1(CN)CN ZINC000218373830 257130964 /nfs/dbraw/zinc/13/09/64/257130964.db2.gz YLZCHGYBXIGPRL-RYUDHWBXSA-N 0 3 302.827 1.144 40 0 DDABHN CCCCN(C)C[C@@H]1OC[C@H](NC(=O)c2cccc(F)c2)[C@H]1O ZINC000514288567 257216519 /nfs/dbraw/zinc/21/65/19/257216519.db2.gz IFSHBJQKFVVGRM-HRCADAONSA-N 0 3 324.396 1.416 40 0 biogenic,in-vitro DDABHN COc1cc(N2CC[C@@]3(C2)CCC[C@H](CN(C)C)O3)ncn1 ZINC000096209191 286230475 /nfs/dbraw/zinc/23/04/75/286230475.db2.gz XWINPPXAAIBWMM-CZUORRHYSA-N 0 3 306.410 1.565 40 0 DDABHN CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072380898 286631944 /nfs/dbraw/zinc/63/19/44/286631944.db2.gz HEBVZSJNTKXQBF-NSHDSACASA-N 0 3 306.391 1.592 40 0 DDABHN Cc1sc2nc(C)n3c(nn(CCN(C)C)c3=O)c2c1C ZINC000012144886 406837332 /nfs/dbraw/zinc/83/73/32/406837332.db2.gz OTGXCXAUSYCRBQ-UHFFFAOYSA-N 0 3 305.407 1.593 40 0 DDABHN C1CN([C@@H]2CC[C@@H]3S[C@H]2CC[C@@H]3N2CCOCC2)CCO1 ZINC000035904208 406975883 /nfs/dbraw/zinc/97/58/83/406975883.db2.gz AISSRCQTANXUHV-FZKCQIBNSA-N 0 3 312.479 1.446 40 0 DDABHN CC(=O)Oc1ccc([C@H]2CC(=O)N(CCN(C)C)C2=O)cc1 ZINC000031730117 406942283 /nfs/dbraw/zinc/94/22/83/406942283.db2.gz ZXFKWBVEQDWEPL-CQSZACIVSA-N 0 3 304.346 1.016 40 0 DDABHN CC(C)N(C[C@H]1CCCN1C(=O)[C@H](C)N)C(=O)OC(C)(C)C ZINC000079409767 407053597 /nfs/dbraw/zinc/05/35/97/407053597.db2.gz ONBYQGMALZAXEY-QWHCGFSZSA-N 0 3 313.442 1.970 40 0 DDABHN CC(C)N(C[C@@H]1CCCN(C(=O)CN)C1)C(=O)OC(C)(C)C ZINC000079409293 407053636 /nfs/dbraw/zinc/05/36/36/407053636.db2.gz YGHMRROJVSZURX-CYBMUJFWSA-N 0 3 313.442 1.829 40 0 DDABHN Cn1cc(CN2CCC3(CC2)COCCN3CC2CC2)cn1 ZINC000096226208 407254111 /nfs/dbraw/zinc/25/41/11/407254111.db2.gz XZVOXBYRPPYMKJ-UHFFFAOYSA-N 0 3 304.438 1.497 40 0 DDABHN O=C(c1ccncc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053756 407228349 /nfs/dbraw/zinc/22/83/49/407228349.db2.gz ZMNSSYQOKAJHCG-IRXDYDNUSA-N 0 3 308.385 1.681 40 0 DDABHN COCCN1CCC2(CC1)[C@@H](c1ccncc1)CC(=O)N2C ZINC000096069796 407233867 /nfs/dbraw/zinc/23/38/67/407233867.db2.gz YJFLQKSYCLIBJN-OAHLLOKOSA-N 0 3 303.406 1.508 40 0 DDABHN CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1cccs1 ZINC000096184317 407244487 /nfs/dbraw/zinc/24/44/87/407244487.db2.gz SGQUIUBWPUKNSW-LSDHHAIUSA-N 0 3 307.463 1.527 40 0 DDABHN COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(OC)cc1 ZINC000096186227 407245764 /nfs/dbraw/zinc/24/57/64/407245764.db2.gz INWZVYSWOGXCTD-IAGOWNOFSA-N 0 3 318.417 1.907 40 0 DDABHN CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 ZINC000100177866 407307382 /nfs/dbraw/zinc/30/73/82/407307382.db2.gz YPMCPCGCEKYSIB-GASCZTMLSA-N 0 3 319.405 1.641 40 0 DDABHN COCCN1CCC(Cc2cnc(-c3cc[nH]n3)cn2)CC1 ZINC000257221707 407504613 /nfs/dbraw/zinc/50/46/13/407504613.db2.gz DQEYHFGRJULVSX-UHFFFAOYSA-N 0 3 301.394 1.768 40 0 DDABHN CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(CN(C)C)cc2)[C@H]1O ZINC000257246048 407518585 /nfs/dbraw/zinc/51/85/85/407518585.db2.gz ISFSPKBRUAAWCE-BRWVUGGUSA-N 0 3 320.433 1.749 40 0 DDABHN Cn1cc(N2CC[C@@H]3CN(Cc4ccccn4)C[C@H]3C2=O)cn1 ZINC000248093669 408533586 /nfs/dbraw/zinc/53/35/86/408533586.db2.gz COJKDCRZHCVKCZ-CZUORRHYSA-N 0 3 311.389 1.300 40 0 DDABHN Cc1cc(O)c(I)c(=O)n1CCN(C)C ZINC000225733361 222205514 /nfs/dbraw/zinc/20/55/14/222205514.db2.gz WIAURHBDSJBOAE-UHFFFAOYSA-N 0 3 322.146 1.029 40 0 DDABHN CN(C[C@H]1CCCN1C(=O)CN)C(=O)OCc1ccccc1 ZINC000079412268 185169926 /nfs/dbraw/zinc/16/99/26/185169926.db2.gz SHMVJVHCUBHQQG-CQSZACIVSA-N 0 3 305.378 1.205 40 0 DDABHN COCCN1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104193 354807595 /nfs/dbraw/zinc/80/75/95/354807595.db2.gz KNZFSSUCOYXBTQ-GOSISDBHSA-N 0 3 318.417 1.384 40 0 DDABHN CO[C@H]1CN(CCCOc2ccccc2F)C[C@H]1CC(N)=O ZINC000585278199 354821551 /nfs/dbraw/zinc/82/15/51/354821551.db2.gz NCDOUDIQQJRARA-DOMZBBRYSA-N 0 3 310.369 1.417 40 0 DDABHN CN(C)Cc1ccc(C(=O)N2CCOC[C@@H]2c2cc[nH]n2)cc1 ZINC000257305012 203030056 /nfs/dbraw/zinc/03/00/56/203030056.db2.gz SOBSFDCLGQJJDH-MRXNPFEDSA-N 0 3 314.389 1.685 40 0 DDABHN Cc1nc(C)n([C@@H](C)CC(=O)N(C)CCN2CCCCC2)n1 ZINC000019657148 182135299 /nfs/dbraw/zinc/13/52/99/182135299.db2.gz UJAOCBOBRZLFHR-ZDUSSCGKSA-N 0 3 307.442 1.790 40 0 DDABHN COc1ccc(CN2C(=O)CO[C@H]3CN(CC4CC4)C[C@H]32)cc1 ZINC000067897235 184490566 /nfs/dbraw/zinc/49/05/66/184490566.db2.gz HWIJCQSLIOVNGZ-SJORKVTESA-N 0 3 316.401 1.517 40 0 biogenic,in-vitro DDABHN O=C(CNCCN1CCOCC1)Nc1cccc2ccccc21 ZINC000035311496 406970922 /nfs/dbraw/zinc/97/09/22/406970922.db2.gz PRNKRSQIFQRGQV-UHFFFAOYSA-N 0 3 313.401 1.700 40 0 DDABHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 ZINC000078701482 407042445 /nfs/dbraw/zinc/04/24/45/407042445.db2.gz YSZKQPXVGXTUGO-ZDUSSCGKSA-N 0 3 307.369 1.673 40 0 DDABHN O=C(CNC1CC1)Nc1ccc(I)cc1 ZINC000037386681 406988307 /nfs/dbraw/zinc/98/83/07/406988307.db2.gz BAFPSSSLBVOSLT-UHFFFAOYSA-N 0 3 316.142 1.982 40 0 DDABHN CNC(=O)C[C@@H]1C[C@H]2CN(Cc3ccccc3OC)C[C@H]2O1 ZINC000096218836 407251624 /nfs/dbraw/zinc/25/16/24/407251624.db2.gz DQQJXOOVYPLPTE-OFQRWUPVSA-N 0 3 304.390 1.421 40 0 DDABHN COCCN1CCC2(C[C@@H](NC(=O)c3cccs3)CO2)CC1 ZINC000096221265 407253288 /nfs/dbraw/zinc/25/32/88/407253288.db2.gz WTVBZXPCBZNXRK-CYBMUJFWSA-N 0 3 324.446 1.748 40 0 DDABHN O=C1C[C@H]2[C@@H](CCN2Cc2cccs2)N1c1cncnc1 ZINC000096245932 407256404 /nfs/dbraw/zinc/25/64/04/407256404.db2.gz DWLWZAIODHQHLR-KGLIPLIRSA-N 0 3 300.387 1.918 40 0 DDABHN O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccoc3)C[C@@H]21)C1CC1 ZINC000096056272 407228864 /nfs/dbraw/zinc/22/88/64/407228864.db2.gz SMQOEWXXKZFJCH-HRCADAONSA-N 0 3 304.390 1.643 40 0 DDABHN O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCN(C3CCOCC3)C[C@@H]2O1 ZINC000096065478 407233277 /nfs/dbraw/zinc/23/32/77/407233277.db2.gz YVFHRNITXCFDJN-JQFCIGGWSA-N 0 3 322.449 1.704 40 0 DDABHN Cn1cc(CN2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)cn1 ZINC000096161327 407242836 /nfs/dbraw/zinc/24/28/36/407242836.db2.gz FHWOWFDMKGFQDR-QGZVFWFLSA-N 0 3 324.428 1.916 40 0 DDABHN Cc1cccc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)n1 ZINC000096184602 407244304 /nfs/dbraw/zinc/24/43/04/407244304.db2.gz PSBDDWHXCMCENZ-ZWKOTPCHSA-N 0 3 311.433 1.972 40 0 DDABHN CCN(CC)[C@@H]1CN(C(=O)c2ccnnc2)[C@@H]2CCCO[C@H]12 ZINC000096185780 407244911 /nfs/dbraw/zinc/24/49/11/407244911.db2.gz LETZWZVGYIVHHM-KFWWJZLASA-N 0 3 304.394 1.190 40 0 DDABHN c1ccc(CO[C@@H]2C[C@H]3CN(c4ncccn4)CCN3C2)cc1 ZINC000107197910 407370554 /nfs/dbraw/zinc/37/05/54/407370554.db2.gz HVYSMBSNGDTLNB-DLBZAZTESA-N 0 3 310.401 1.956 40 0 DDABHN CN(C)C(=O)NC1CC2(C1)CCN(Cc1ccnn1C)CC2 ZINC000108526694 407386725 /nfs/dbraw/zinc/38/67/25/407386725.db2.gz YMYGYXRJJVBBMP-UHFFFAOYSA-N 0 3 305.426 1.436 40 0 DDABHN CNc1cc(C)nc([C@H]2COCCN2C2CCN(C)CC2)n1 ZINC000257202526 407494794 /nfs/dbraw/zinc/49/47/94/407494794.db2.gz AMFNUCDMUWEBSL-CQSZACIVSA-N 0 3 305.426 1.294 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CNCCN2Cc2ccc(C)nc2)c1 ZINC000257235472 407510167 /nfs/dbraw/zinc/51/01/67/407510167.db2.gz GXZSIPIYHSTXJM-SFHVURJKSA-N 0 3 324.428 1.896 40 0 DDABHN NC(=O)c1sc2ncccc2c1C1CCN(CCO)CC1 ZINC000257316570 407532917 /nfs/dbraw/zinc/53/29/17/407532917.db2.gz VGDMMENRCKQOAL-UHFFFAOYSA-N 0 3 305.403 1.567 40 0 DDABHN CN(C)CCO[C@H]1CN(C(=O)c2cccs2)[C@@H]2COC[C@H]12 ZINC000096184996 289171569 /nfs/dbraw/zinc/17/15/69/289171569.db2.gz MVOXEAQSNJOCSX-XQQFMLRXSA-N 0 3 310.419 1.166 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccncc1 ZINC000096201013 289311024 /nfs/dbraw/zinc/31/10/24/289311024.db2.gz MXCMWUDYLATVPK-SJORKVTESA-N 0 3 317.433 1.582 40 0 DDABHN C[C@H]1CN(C)C[C@@]12COCCN(S(=O)(=O)c1ccccc1)C2 ZINC000096202370 300222565 /nfs/dbraw/zinc/22/25/65/300222565.db2.gz BSMSAUYNLULFIO-GOEBONIOSA-N 0 3 324.446 1.275 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000079410071 185170174 /nfs/dbraw/zinc/17/01/74/185170174.db2.gz YIDFKWFMTAVXJE-STQMWFEESA-N 0 3 313.442 1.685 40 0 DDABHN CC(=O)N1CC(C(=O)Nc2ccccc2OCCN(C)C)C1 ZINC000072344550 191127260 /nfs/dbraw/zinc/12/72/60/191127260.db2.gz ASIRHNALKIUQEF-UHFFFAOYSA-N 0 3 305.378 1.044 40 0 DDABHN Cc1nc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)no1 ZINC000072367305 191137652 /nfs/dbraw/zinc/13/76/52/191137652.db2.gz ZXWFAWTXDUVHFI-MRXNPFEDSA-N 0 3 306.410 1.958 40 0 DDABHN CCc1nc(C)c(CN2CCC[C@@]2(COC)CC(=O)NC)[nH]1 ZINC000585278395 354822072 /nfs/dbraw/zinc/82/20/72/354822072.db2.gz SLWXQKUKBXRNJF-INIZCTEOSA-N 0 3 308.426 1.398 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)c2csc3c2CCCC3)C1 ZINC000257272785 203000832 /nfs/dbraw/zinc/00/08/32/203000832.db2.gz NDWGCMMZCONKFK-INIZCTEOSA-N 0 3 308.447 1.766 40 0 DDABHN CN1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H](C(N)=O)C1 ZINC000257312980 203036466 /nfs/dbraw/zinc/03/64/66/203036466.db2.gz UQMIGZUITMKJRW-LBPRGKRZSA-N 0 3 315.339 1.554 40 0 DDABHN CCOC(=O)[C@]1(CN)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)CC ZINC000242688172 257120195 /nfs/dbraw/zinc/12/01/95/257120195.db2.gz VJIVNVRXMXWSGF-GZBFAFLISA-N 0 3 311.403 1.095 40 0 DDABHN CC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 ZINC000072225642 257123198 /nfs/dbraw/zinc/12/31/98/257123198.db2.gz IJFJCGFOWSUJGT-GOSISDBHSA-N 0 3 310.401 1.798 40 0 DDABHN N[C@H](c1n[nH]c(CCN2CCOCC2)n1)c1ccc(Cl)cc1 ZINC000095533984 257137928 /nfs/dbraw/zinc/13/79/28/257137928.db2.gz IUVZTHAGERCKNA-AWEZNQCLSA-N 0 3 321.812 1.381 40 0 DDABHN CO[C@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@@H]3C1)OCO5 ZINC000003197443 286025800 /nfs/dbraw/zinc/02/58/00/286025800.db2.gz YGPRSGKVLATIHT-RGXXSHLXSA-N 0 3 301.342 1.187 40 0 in-vitro DDABHN C[C@H]1Oc2ncc(Br)cc2N(CCN(C)C)C1=O ZINC000005587096 406736768 /nfs/dbraw/zinc/73/67/68/406736768.db2.gz ISLJZNLKJIILNJ-MRVPVSSYSA-N 0 3 314.183 1.520 40 0 DDABHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(C)c1 ZINC000006953122 406745187 /nfs/dbraw/zinc/74/51/87/406745187.db2.gz OCBSHZTUYTVKHK-OAHLLOKOSA-N 0 3 303.406 1.842 40 0 DDABHN OCNc1nc2c3ccccc3nc(CCN3CCCC3)n2n1 ZINC000003030910 406711930 /nfs/dbraw/zinc/71/19/30/406711930.db2.gz KSINSIXZXHSSQR-UHFFFAOYSA-N 0 3 312.377 1.278 40 0 DDABHN CC[C@@H](c1nnnn1CCOC)N1CCN(C2CCCC2)CC1 ZINC000020140168 406886367 /nfs/dbraw/zinc/88/63/67/406886367.db2.gz DRKRGZLVVURSDW-HNNXBMFYSA-N 0 3 322.457 1.331 40 0 DDABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1 ZINC000096228761 407253751 /nfs/dbraw/zinc/25/37/51/407253751.db2.gz PFGAMIAJEQKSHE-KRWDZBQOSA-N 0 3 320.437 1.383 40 0 DDABHN O=C(NCc1ccccc1)[C@H]1C[C@@H]2CN(CC3CC3)C[C@H]1O2 ZINC000096253448 407257105 /nfs/dbraw/zinc/25/71/05/407257105.db2.gz GCKJZLASPADASH-IXDOHACOSA-N 0 3 300.402 1.802 40 0 DDABHN CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccco1 ZINC000096055196 407230000 /nfs/dbraw/zinc/23/00/00/407230000.db2.gz YYWQSROMSOGCRM-USXIJHARSA-N 0 3 308.422 1.837 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1cccnc1)CCC2 ZINC000096059567 407231658 /nfs/dbraw/zinc/23/16/58/407231658.db2.gz CCNDZWWTNPGAMK-UHFFFAOYSA-N 0 3 313.405 1.106 40 0 DDABHN O=C(NC1CC1)N1CC[C@H]2[C@@H]1CCC(=O)N2CCN1CCCC1 ZINC000096064690 407232916 /nfs/dbraw/zinc/23/29/16/407232916.db2.gz HOLICLZADKWHEP-GJZGRUSLSA-N 0 3 320.437 1.020 40 0 DDABHN COCCN(C)c1ccc2ccc(C(=O)NCCN(C)C)cn21 ZINC000096146125 407240395 /nfs/dbraw/zinc/24/03/95/407240395.db2.gz ZKYQOAHVHDRPAF-UHFFFAOYSA-N 0 3 318.421 1.313 40 0 DDABHN CCOCC(=O)N1CCC2(CCN(Cc3cccnc3)C2)CC1 ZINC000096157423 407241686 /nfs/dbraw/zinc/24/16/86/407241686.db2.gz ORRPDMCWEFDZMZ-UHFFFAOYSA-N 0 3 317.433 1.933 40 0 DDABHN Cn1cc(N2C(=O)C[C@H]3[C@H]2CCN3CCc2ccccc2)cn1 ZINC000096184175 407244609 /nfs/dbraw/zinc/24/46/09/407244609.db2.gz BLYHIBRVDMMSDB-SJORKVTESA-N 0 3 310.401 1.842 40 0 DDABHN Cc1ccc(CC(=O)N2CCOC[C@@]3(CCN(C)C3)C2)cc1 ZINC000096201942 407248954 /nfs/dbraw/zinc/24/89/54/407248954.db2.gz AAKFXYHFBSBMIU-GOSISDBHSA-N 0 3 302.418 1.718 40 0 DDABHN CN1CC[C@]2(C1)COCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096201949 407249092 /nfs/dbraw/zinc/24/90/92/407249092.db2.gz SRMVPEDWLYGBLQ-GOSISDBHSA-N 0 3 313.401 1.962 40 0 DDABHN Cc1cccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)c1 ZINC000108525062 407387079 /nfs/dbraw/zinc/38/70/79/407387079.db2.gz VRFWXEQZPOAYQX-UHFFFAOYSA-N 0 3 308.447 1.899 40 0 DDABHN COCCN1CC[C@@]2(CCCN(Cc3ccnn3C)CC2)C1=O ZINC000108529349 407387219 /nfs/dbraw/zinc/38/72/19/407387219.db2.gz NFZMKOPUCLVYRQ-KRWDZBQOSA-N 0 3 320.437 1.271 40 0 DDABHN O=C(c1nccc2ccccc21)N1C[C@@H](O)[C@H](N2CCCC2)C1 ZINC000257219774 407500951 /nfs/dbraw/zinc/50/09/51/407500951.db2.gz DICAYNQWPCAYFT-HZPDHXFCSA-N 0 3 311.385 1.516 40 0 DDABHN COC[C@@]1(CN)[C@@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218421738 407519826 /nfs/dbraw/zinc/51/98/26/407519826.db2.gz XSXFOGHGWCUQCY-AVGNSLFASA-N 0 3 303.811 1.442 40 0 DDABHN CC(=O)c1ccc(C(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)s1 ZINC000332712077 410231461 /nfs/dbraw/zinc/23/14/61/410231461.db2.gz OXSRQWLBQRHPJB-ZYHUDNBSSA-N 0 3 310.419 1.478 40 0 DDABHN N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 ZINC000138910051 279555607 /nfs/dbraw/zinc/55/56/07/279555607.db2.gz CQGQSLDQXDUVQF-WDEREUQCSA-N 0 3 300.380 1.475 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000079391392 280271439 /nfs/dbraw/zinc/27/14/39/280271439.db2.gz XEFVMYBQNZHDFI-STQMWFEESA-N 0 3 313.442 1.828 40 0 DDABHN O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCN(CCO)C1 ZINC000079411230 185170161 /nfs/dbraw/zinc/17/01/61/185170161.db2.gz YFXVXJRMEUNTHG-INIZCTEOSA-N 0 3 304.390 1.854 40 0 DDABHN CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000079391396 185168053 /nfs/dbraw/zinc/16/80/53/185168053.db2.gz FVWYMSITWXTNBF-STQMWFEESA-N 0 3 313.442 1.685 40 0 DDABHN CN1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306136197 530055632 /nfs/dbraw/zinc/05/56/32/530055632.db2.gz PMLCPCIHHYTLEE-CYBMUJFWSA-N 0 3 301.394 1.375 40 0 DDABHN Nc1ncc(-c2cccc(F)c2)c([C@H]2CCCN2CCO)n1 ZINC000072376760 191139662 /nfs/dbraw/zinc/13/96/62/191139662.db2.gz XULVVHRFDPGAKT-CQSZACIVSA-N 0 3 302.353 1.994 40 0 DDABHN O[C@@H]1CCCN(Cc2cc(-c3ccccc3)cn3nnnc23)C1 ZINC000072392381 191147779 /nfs/dbraw/zinc/14/77/79/191147779.db2.gz HCJNWVMGYPREGU-MRXNPFEDSA-N 0 3 309.373 1.748 40 0 DDABHN O=CN1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 ZINC000009062861 352136720 /nfs/dbraw/zinc/13/67/20/352136720.db2.gz KMEINEDBCNNCLO-UHFFFAOYSA-N 0 3 315.417 1.199 40 0 DDABHN O=C(C1=CCCCC1)N1CC2(C1)C[C@H](CO)CN2CC1CC1 ZINC000585093744 354803010 /nfs/dbraw/zinc/80/30/10/354803010.db2.gz BUQACCNZGCJKFS-HNNXBMFYSA-N 0 3 304.434 1.792 40 0 DDABHN C[NH+](C)C[C@H]1CCC2(CN(C(=O)c3cccc([O-])c3)C2)OC1 ZINC000585093678 354803515 /nfs/dbraw/zinc/80/35/15/354803515.db2.gz LVCCUUMHCNJRHG-CYBMUJFWSA-N 0 3 304.390 1.575 40 0 DDABHN COCCN1CC[C@H](Cc2cnc(-c3c(C)n[nH]c3C)cn2)C1 ZINC000257342397 203065840 /nfs/dbraw/zinc/06/58/40/203065840.db2.gz ZOJSEUWHRXBXMN-CQSZACIVSA-N 0 3 315.421 1.994 40 0 DDABHN O=C(c1cscn1)N1C[C@H]2CN(Cc3ccco3)C[C@@H]2C1 ZINC000096053921 193506179 /nfs/dbraw/zinc/50/61/79/193506179.db2.gz XDVCFIAIKBRDLH-VXGBXAGGSA-N 0 3 303.387 1.940 40 0 DDABHN CC(C)CC(=O)N1CCC[C@H](c2ncc3c(n2)CCNC3)C1 ZINC000019446413 182124006 /nfs/dbraw/zinc/12/40/06/182124006.db2.gz UFBYPWRJEQIBEJ-ZDUSSCGKSA-N 0 3 302.422 1.874 40 0 DDABHN COc1cccc(S(=O)(=O)N2CCC3(CCN(C)C3)CC2)c1 ZINC000063527747 184284805 /nfs/dbraw/zinc/28/48/05/184284805.db2.gz BSCANCWYHHYQRE-UHFFFAOYSA-N 0 3 324.446 1.802 40 0 DDABHN CCS(=O)(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]1(CN)CO ZINC000242750669 257120067 /nfs/dbraw/zinc/12/00/67/257120067.db2.gz ZVOWQZRRRJGKPV-XQQFMLRXSA-N 0 3 303.811 1.178 40 0 DDABHN OCCN[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccccc1 ZINC000001593689 406671368 /nfs/dbraw/zinc/67/13/68/406671368.db2.gz CPENJQYCUCOIAE-IRXDYDNUSA-N 0 3 301.342 1.772 40 0 DDABHN CC(C)C(=O)N[C@H]1COC2(C1)CCN(Cc1cnn(C)c1)CC2 ZINC000096224820 407252838 /nfs/dbraw/zinc/25/28/38/407252838.db2.gz LCOMECIIDCCILA-OAHLLOKOSA-N 0 3 320.437 1.316 40 0 DDABHN Cc1ccc(CN2CC[C@H]3OCC[C@@]3(C(=O)N3CCCO3)C2)o1 ZINC000096038835 407224811 /nfs/dbraw/zinc/22/48/11/407224811.db2.gz ONSJWWOWRUMAND-NVXWUHKLSA-N 0 3 320.389 1.733 40 0 DDABHN Cn1cc(CN2CC[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)cn1 ZINC000096081527 407234796 /nfs/dbraw/zinc/23/47/96/407234796.db2.gz FIQAFTYTDQRPLS-SJORKVTESA-N 0 3 300.406 1.967 40 0 DDABHN CN(C)C(=O)NC[C@]12COC[C@H]1CN(Cc1ccc(F)cc1)C2 ZINC000096108295 407237810 /nfs/dbraw/zinc/23/78/10/407237810.db2.gz VDRJHTABGRVOLS-PBHICJAKSA-N 0 3 321.396 1.545 40 0 DDABHN Cc1cnc(C(=O)N2C[C@H]3CN(Cc4cccnc4)C[C@H]3C2)cn1 ZINC000096161491 407242715 /nfs/dbraw/zinc/24/27/15/407242715.db2.gz AIEAVWXDWXMAIA-IYBDPMFKSA-N 0 3 323.400 1.384 40 0 DDABHN CN(C)[C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1Cc1ccccc1 ZINC000096200802 407248930 /nfs/dbraw/zinc/24/89/30/407248930.db2.gz GYGSCQFISPYUDP-SJORKVTESA-N 0 3 310.401 1.864 40 0 DDABHN CC(C)NC(=O)[C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 ZINC000107198088 407370430 /nfs/dbraw/zinc/37/04/30/407370430.db2.gz XMTYKQGLCDXTKN-YESZJQIVSA-N 0 3 302.418 1.986 40 0 DDABHN COCCN1CC2(CCC1=O)CCN(Cc1cnc(C)[nH]1)CC2 ZINC000108535430 407387516 /nfs/dbraw/zinc/38/75/16/407387516.db2.gz FRMYUBGFFXYDOD-UHFFFAOYSA-N 0 3 320.437 1.569 40 0 DDABHN O=C(c1ccc([O-])cc1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257230810 407506895 /nfs/dbraw/zinc/50/68/95/407506895.db2.gz GEAORCMMJLXOIL-GOSISDBHSA-N 0 3 318.417 1.845 40 0 DDABHN CCOC[C@@]1(CN)[C@H](c2ccc(Cl)cc2)[C@@H]1S(C)(=O)=O ZINC000218447596 407518516 /nfs/dbraw/zinc/51/85/16/407518516.db2.gz HSKRTJBWZWQIEF-RDBSUJKOSA-N 0 3 317.838 1.832 40 0 DDABHN CCOC[C@@]1(CN)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)CC ZINC000218568035 407521150 /nfs/dbraw/zinc/52/11/50/407521150.db2.gz CNDNXYYGASASDE-KKUMJFAQSA-N 0 3 315.410 1.708 40 0 DDABHN CNc1nccnc1C[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000257251158 407521228 /nfs/dbraw/zinc/52/12/28/407521228.db2.gz JPROEHCYONACLX-ZDUSSCGKSA-N 0 3 300.410 1.707 40 0 DDABHN NC[C@]1(N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218629573 407522298 /nfs/dbraw/zinc/52/22/98/407522298.db2.gz QRJAPCLRNUHVBA-PMPSAXMXSA-N 0 3 320.389 1.422 40 0 DDABHN CNC(=O)c1cccc([C@@H]2CN(C3CCOCC3)CCN2C)c1 ZINC000257283993 407529288 /nfs/dbraw/zinc/52/92/88/407529288.db2.gz PAUNUGMRPPKGNF-KRWDZBQOSA-N 0 3 317.433 1.514 40 0 DDABHN CCN(CC)C[C@@H](OC(=O)c1ccc(N)cc1)[C@H](COC)OC ZINC000001646399 276331263 /nfs/dbraw/zinc/33/12/63/276331263.db2.gz LCUMRFCUJAIYHO-CVEARBPZSA-N 0 3 324.421 1.797 40 0 DDABHN CN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CN ZINC000079392861 185168379 /nfs/dbraw/zinc/16/83/79/185168379.db2.gz UWLWAWZQFPGOGE-OAHLLOKOSA-N 0 3 319.405 1.595 40 0 DDABHN CCn1c2ccccc2nc1CN1C[C@@H]2C[C@@H](O)CN2C[C@H]1C ZINC000072324830 191123210 /nfs/dbraw/zinc/12/32/10/191123210.db2.gz UQLRBKNISHGGBT-QLFBSQMISA-N 0 3 314.433 1.696 40 0 DDABHN Cc1cc(CN2Cc3ccnn3CC[C@H]2CN(C)C)n(C)n1 ZINC000585097471 354805297 /nfs/dbraw/zinc/80/52/97/354805297.db2.gz MBNLZPFFONGQNI-AWEZNQCLSA-N 0 3 302.426 1.261 40 0 DDABHN Cc1ccc(C)c(CN2CCOC[C@]3(CC(=O)N(C)C3)C2)c1 ZINC000585104735 354808079 /nfs/dbraw/zinc/80/80/79/354808079.db2.gz SPBDSGVKJOUTQS-SFHVURJKSA-N 0 3 302.418 1.984 40 0 DDABHN Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)cc1 ZINC000257309349 203033745 /nfs/dbraw/zinc/03/37/45/203033745.db2.gz UAPLGVVSRKSKDA-BZUAXINKSA-N 0 3 324.446 1.261 40 0 DDABHN OC1(CN2CCCC[C@H]2c2ccn3nccc3n2)CCOCC1 ZINC000257314227 203038982 /nfs/dbraw/zinc/03/89/82/203038982.db2.gz UVXZRMXHBONJTF-HNNXBMFYSA-N 0 3 316.405 1.798 40 0 DDABHN Cc1[nH]c2ccc(C(=O)N3C[C@@H](O)[C@H](N(C)C)C3)cc2c1C ZINC000257315528 203040363 /nfs/dbraw/zinc/04/03/63/203040363.db2.gz VBVBYLRFNHGRPM-HZPDHXFCSA-N 0 3 301.390 1.532 40 0 DDABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)CN1CCCC1=O ZINC000257341494 203063467 /nfs/dbraw/zinc/06/34/67/203063467.db2.gz ZKOMQQCFVUMCSV-JTOWHCCKSA-N 0 3 319.449 1.473 40 0 DDABHN Cc1ccc2c(c1)nc1n2[C@@H](CNCc2cnn(C)c2)COC1 ZINC000096112819 193544145 /nfs/dbraw/zinc/54/41/45/193544145.db2.gz MCUJVHYSAZGEBQ-AWEZNQCLSA-N 0 3 311.389 1.939 40 0 biogenic,in-vitro DDABHN CCOC[C@]1(CN)[C@@H](c2ccc(F)cc2)[C@H]1S(C)(=O)=O ZINC000242495727 257120325 /nfs/dbraw/zinc/12/03/25/257120325.db2.gz GOFMPXOHXQZUAS-BFHYXJOUSA-N 0 3 301.383 1.318 40 0 DDABHN NCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 ZINC000079392832 407054567 /nfs/dbraw/zinc/05/45/67/407054567.db2.gz RMHIZQHCPPOEIR-KBPBESRZSA-N 0 3 305.378 1.299 40 0 DDABHN CC(C)N(C)Cc1n[nH]c2c1CCN(S(=O)(=O)C1CC1)C2 ZINC000096255848 407256997 /nfs/dbraw/zinc/25/69/97/407256997.db2.gz NXTDACQLZBGWAU-UHFFFAOYSA-N 0 3 312.439 1.100 40 0 DDABHN COCCN1CCOC[C@@]2(CCCN(Cc3ccoc3)C2)C1 ZINC000096049458 407227122 /nfs/dbraw/zinc/22/71/22/407227122.db2.gz DDTSJKFJBRKERG-KRWDZBQOSA-N 0 3 308.422 1.840 40 0 DDABHN CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3cccnc3)C2)O1 ZINC000096052294 407227886 /nfs/dbraw/zinc/22/78/86/407227886.db2.gz OWGGTNZSCUXPGU-IAGOWNOFSA-N 0 3 305.422 1.393 40 0 DDABHN O=C(c1ccccn1)N1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC000096053761 407229063 /nfs/dbraw/zinc/22/90/63/407229063.db2.gz OCYZIEMGYVPKPD-IYBDPMFKSA-N 0 3 308.385 1.681 40 0 DDABHN CN(C)C(=O)CN1C[C@H]2CCCN(Cc3ccsc3)[C@H]2C1 ZINC000096081530 407234731 /nfs/dbraw/zinc/23/47/31/407234731.db2.gz GZCYBJPVEKYDKB-CABCVRRESA-N 0 3 307.463 1.733 40 0 DDABHN CCN1C[C@H]2[C@@H](C1)N(C(=O)Cc1ccsc1)CC[C@@H]2OC ZINC000096109402 407237471 /nfs/dbraw/zinc/23/74/71/407237471.db2.gz IESDQBOTVCTTTC-ZNMIVQPWSA-N 0 3 308.447 1.858 40 0 DDABHN CCc1cnc(N2CCN3C[C@H](OCC4CC4)C[C@H]3C2)nc1 ZINC000096183292 407243691 /nfs/dbraw/zinc/24/36/91/407243691.db2.gz DGHHJNFHZFWHQA-JKSUJKDBSA-N 0 3 302.422 1.729 40 0 DDABHN O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1 ZINC000096186557 407245970 /nfs/dbraw/zinc/24/59/70/407245970.db2.gz PECATAPVBYEEHI-BZSNNMDCSA-N 0 3 314.429 1.987 40 0 DDABHN c1csc(CN2CCc3ncc(Cn4cncn4)n3CC2)c1 ZINC000096196980 407247485 /nfs/dbraw/zinc/24/74/85/407247485.db2.gz PFRUPFVSBVKPKR-UHFFFAOYSA-N 0 3 314.418 1.643 40 0 DDABHN COCCN1CC[C@@]2(C1)COCCN(Cc1ccsc1)C2 ZINC000096201974 407248603 /nfs/dbraw/zinc/24/86/03/407248603.db2.gz PNVNEWMODIMBTL-INIZCTEOSA-N 0 3 310.463 1.919 40 0 DDABHN COCCC(=O)N1CC2(C1)CCN(Cc1ccc(O)cc1)CC2 ZINC000096203000 407249391 /nfs/dbraw/zinc/24/93/91/407249391.db2.gz LPFMYVAAAHBXPE-UHFFFAOYSA-N 0 3 318.417 1.853 40 0 DDABHN CN(C(=O)CN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 ZINC000100178082 407307357 /nfs/dbraw/zinc/30/73/57/407307357.db2.gz GCIKTBMECLKGJG-GASCZTMLSA-N 0 3 319.405 1.641 40 0 DDABHN CN(C)C[C@@]1(O)CCN(C(=O)CCc2nc3ccccc3[nH]2)C1 ZINC000257202754 407493614 /nfs/dbraw/zinc/49/36/14/407493614.db2.gz ANGUEMGQRAGITJ-KRWDZBQOSA-N 0 3 316.405 1.021 40 0 DDABHN CNCC(=O)N1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257203923 407495028 /nfs/dbraw/zinc/49/50/28/407495028.db2.gz ASFDZNTYENPVEL-MRXNPFEDSA-N 0 3 320.408 1.985 40 0 DDABHN CC(C)Oc1ccc([C@H]2CNCCN2CC(=O)N(C)C)cc1 ZINC000257226786 407504316 /nfs/dbraw/zinc/50/43/16/407504316.db2.gz FMEIKJJWYNLJLU-MRXNPFEDSA-N 0 3 305.422 1.508 40 0 DDABHN CN(C)C[C@]1(O)CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000257242883 407514914 /nfs/dbraw/zinc/51/49/14/407514914.db2.gz IEPDQCQVIGRFAB-MRXNPFEDSA-N 0 3 306.381 1.382 40 0 DDABHN CN(C)C(=O)CN1CCC2(CCCN(c3ncccn3)C2)CC1 ZINC000096063038 276752420 /nfs/dbraw/zinc/75/24/20/276752420.db2.gz SNVMYHLIWPBXKY-UHFFFAOYSA-N 0 3 317.437 1.247 40 0 DDABHN CN1c2cccnc2CN(C2CCC(CO)CC2)CC[C@H]1CO ZINC000225496696 290322080 /nfs/dbraw/zinc/32/20/80/290322080.db2.gz YHMAWHZTWSAHHK-GPANFISMSA-N 0 3 319.449 1.636 40 0 biogenic,in-vitro DDABHN NCC(=O)N1CCC(CNC(=O)OCc2ccccc2)CC1 ZINC000079412248 185170111 /nfs/dbraw/zinc/17/01/11/185170111.db2.gz LPIGPDLKSJNHDR-UHFFFAOYSA-N 0 3 305.378 1.110 40 0 DDABHN C[C@H](N)C(=O)N1CCCC[C@H]1CNC(=O)OCc1ccccc1 ZINC000079412720 185170379 /nfs/dbraw/zinc/17/03/79/185170379.db2.gz GVYJKXAUPTUPLV-ZFWWWQNUSA-N 0 3 319.405 1.641 40 0 DDABHN CN(C(=O)CN)C1CCC(NC(=O)OCc2ccccc2)CC1 ZINC000079392870 185168317 /nfs/dbraw/zinc/16/83/17/185168317.db2.gz GCIKTBMECLKGJG-UHFFFAOYSA-N 0 3 319.405 1.641 40 0 DDABHN C[C@H](N)C(=O)N(C)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000079393069 185168899 /nfs/dbraw/zinc/16/88/99/185168899.db2.gz UGAGPRBRNTWQGW-GXTWGEPZSA-N 0 3 305.378 1.203 40 0 DDABHN Cc1nccn1CCN(C)c1cc([C@@H]2CNCCO2)nc(C)n1 ZINC000072387089 191145641 /nfs/dbraw/zinc/14/56/41/191145641.db2.gz CBYLGYMTUFTZBK-HNNXBMFYSA-N 0 3 316.409 1.087 40 0 DDABHN COc1cccc(C[C@H]2CC3(CO2)CCN(C(=O)CN)CC3)c1 ZINC000257331972 203054955 /nfs/dbraw/zinc/05/49/55/203054955.db2.gz XVEFOOWGTLAYHC-INIZCTEOSA-N 0 3 318.417 1.594 40 0 DDABHN CC(C)CC(=O)N1CCC(c2ncc3c(n2)CCNC3)CC1 ZINC000019446279 182123790 /nfs/dbraw/zinc/12/37/90/182123790.db2.gz DLIROEHGSGYBCX-UHFFFAOYSA-N 0 3 302.422 1.874 40 0 DDABHN CO[C@@H]1C=C[C@]23c4cc5c(cc4CN(C[C@@H]2O)[C@H]3C1)OCO5 ZINC000000897575 406662954 /nfs/dbraw/zinc/66/29/54/406662954.db2.gz YGPRSGKVLATIHT-PWBULWKKSA-N 0 3 301.342 1.187 40 0 DDABHN O=c1[nH]c2cc3c(cc2cc1CNC[C@H]1CCCO1)OCO3 ZINC000013998145 406869700 /nfs/dbraw/zinc/86/97/00/406869700.db2.gz FWTMYSCUMAYHIT-GFCCVEGCSA-N 0 3 302.330 1.525 40 0 DDABHN CN(C)CCNC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000045164773 407039914 /nfs/dbraw/zinc/03/99/14/407039914.db2.gz XIFRAKCSRVBUGP-UHFFFAOYSA-N 0 3 321.396 1.356 40 0 DDABHN CCCc1nnc([C@H]2CCN(C3CCN(C(C)=O)CC3)C2)o1 ZINC000049170358 407116760 /nfs/dbraw/zinc/11/67/60/407116760.db2.gz HGDCHMLDCBKLIZ-ZDUSSCGKSA-N 0 3 306.410 1.822 40 0 biogenic,in-vitro DDABHN O=C(N[C@@H]1CN(CC2CC2)C[C@@H]2CCCO[C@H]12)c1cnccn1 ZINC000096040663 407225466 /nfs/dbraw/zinc/22/54/66/407225466.db2.gz FPWSCBTXCRYQLK-IMJJTQAJSA-N 0 3 316.405 1.096 40 0 DDABHN CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccncc3)C2)O1 ZINC000096052299 407228672 /nfs/dbraw/zinc/22/86/72/407228672.db2.gz ICJZIWPIGQDQOU-IRXDYDNUSA-N 0 3 305.422 1.393 40 0 DDABHN O=C1[C@H]2CN(Cc3ccccn3)C[C@@H]2CCN1Cc1cccnc1 ZINC000096054638 407229106 /nfs/dbraw/zinc/22/91/06/407229106.db2.gz HRELOQWIDAZNFM-WMZOPIPTSA-N 0 3 322.412 1.957 40 0 DDABHN CN(C)Cc1cc(=O)n2c(n1)CN(Cc1ccco1)CCC2 ZINC000096059559 407231702 /nfs/dbraw/zinc/23/17/02/407231702.db2.gz FYUTWIWHWKHRFQ-UHFFFAOYSA-N 0 3 302.378 1.304 40 0 DDABHN CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCC1 ZINC000096112997 407238997 /nfs/dbraw/zinc/23/89/97/407238997.db2.gz ZJLJGDVXNVWRGM-LSDHHAIUSA-N 0 3 307.438 1.378 40 0 biogenic,in-vitro DDABHN CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccccn3)C2)O1 ZINC000096160183 407241456 /nfs/dbraw/zinc/24/14/56/407241456.db2.gz IWXKGMUKUPLKFK-SJORKVTESA-N 0 3 305.422 1.393 40 0 DDABHN CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccccn3)C2)O1 ZINC000096160177 407241517 /nfs/dbraw/zinc/24/15/17/407241517.db2.gz IWXKGMUKUPLKFK-DLBZAZTESA-N 0 3 305.422 1.393 40 0 DDABHN CCN(CC)Cc1cnc2n1CCN(C[C@H]1CCOC1)CC2 ZINC000096196836 407246964 /nfs/dbraw/zinc/24/69/64/407246964.db2.gz VTLZAYQCAMSRSF-OAHLLOKOSA-N 0 3 306.454 1.620 40 0 DDABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC000100202488 407307312 /nfs/dbraw/zinc/30/73/12/407307312.db2.gz VITPGSWQMNLWRH-AVGNSLFASA-N 0 3 313.442 1.922 40 0 DDABHN CC(C)Oc1ccc([C@@H]2CNCCN2CC(=O)N(C)C)cc1 ZINC000257226785 407504245 /nfs/dbraw/zinc/50/42/45/407504245.db2.gz FMEIKJJWYNLJLU-INIZCTEOSA-N 0 3 305.422 1.508 40 0 DDABHN CNC(=O)[C@@H]1CN(C)CCN(CC2=Cc3ccccc3OC2)C1 ZINC000257236665 407510865 /nfs/dbraw/zinc/51/08/65/407510865.db2.gz HDDJYJKGQPQFQZ-MRXNPFEDSA-N 0 3 315.417 1.072 40 0 DDABHN CCOC[C@]1(CN)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)CC ZINC000218558501 407522905 /nfs/dbraw/zinc/52/29/05/407522905.db2.gz FOCCYJDNKLSTBP-QLFBSQMISA-N 0 3 315.410 1.708 40 0 DDABHN CCOc1ccccc1CN1CCN(C)C[C@@H](C(=O)NC)C1 ZINC000257285250 407529196 /nfs/dbraw/zinc/52/91/96/407529196.db2.gz PGHLTMHSAKRBIA-OAHLLOKOSA-N 0 3 305.422 1.195 40 0 DDABHN CC(C)[C@H](N)C(=O)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000079410015 280272087 /nfs/dbraw/zinc/27/20/87/280272087.db2.gz VOYHZWJTSDQRTP-STQMWFEESA-N 0 3 313.442 1.733 40 0 DDABHN