smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)CCOC(C(=O)OCCN(C)C)(c1ccccc1)c1ccccc1 ZINC000001608970 204013351 /nfs/dbraw/zinc/01/33/51/204013351.db2.gz BCYBTICYDFTMET-UHFFFAOYSA-N 0 3 369.505 4.098 40 0 FIABHN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)c1 ZINC000035289782 204223813 /nfs/dbraw/zinc/22/38/13/204223813.db2.gz NUVVCMHVENXTJO-FRIKZZABSA-N 0 3 366.480 4.450 40 0 FIABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000006883133 204280059 /nfs/dbraw/zinc/28/00/59/204280059.db2.gz LDTKKQUCRNOPLE-UHFFFAOYSA-N 0 3 354.277 4.433 40 0 FIABHN COc1cc(CNC[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000008497959 204332100 /nfs/dbraw/zinc/33/21/00/204332100.db2.gz KEGOPWOVZWKHDK-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN COc1ccccc1CN1CCC(c2nnc(-c3sccc3C)o2)CC1 ZINC000019238732 204673433 /nfs/dbraw/zinc/67/34/33/204673433.db2.gz BEJRDBXPPPFQIR-UHFFFAOYSA-N 0 3 369.490 4.495 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)CC2=Cc3ccccc3OC2)o1 ZINC000036740263 205021540 /nfs/dbraw/zinc/02/15/40/205021540.db2.gz HAZZBXRJZBLHCY-UHFFFAOYSA-N 0 3 363.461 4.153 40 0 FIABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832819 205042968 /nfs/dbraw/zinc/04/29/68/205042968.db2.gz DUJMFFOAICBBPW-QFBILLFUSA-N 0 3 356.897 4.429 40 0 FIABHN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038835064 205043175 /nfs/dbraw/zinc/04/31/75/205043175.db2.gz PSEFTLFRWPSOHD-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN Cc1ccc(C)c(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000046103171 205133787 /nfs/dbraw/zinc/13/37/87/205133787.db2.gz HUATZHDEXRQUOC-UHFFFAOYSA-N 0 3 353.535 4.038 40 0 FIABHN CCc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000008654086 206215669 /nfs/dbraw/zinc/21/56/69/206215669.db2.gz QHBDYLBWYSEEIL-YQQQUEKLSA-N 0 3 369.534 4.324 40 0 FIABHN O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000019720100 206326133 /nfs/dbraw/zinc/32/61/33/206326133.db2.gz SISAAQVJJIYWIY-QTGUNEKASA-N 0 3 360.501 4.163 40 0 FIABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000328960947 132371764 /nfs/dbraw/zinc/37/17/64/132371764.db2.gz AZQQSBIJGNOVMA-MRXNPFEDSA-N 0 3 374.488 4.013 40 0 FIABHN C[C@H](O)c1ccc(-c2ccc(CN[C@@H](C)[C@@H](O)c3ccccc3)o2)cc1 ZINC000022108677 263385093 /nfs/dbraw/zinc/38/50/93/263385093.db2.gz VYSXKPWWGYKNEV-PONJGIIJSA-N 0 3 351.446 4.212 40 0 FIABHN CCN(CC)CCNCc1ccc(-c2ccc(Br)cc2)o1 ZINC000022076622 263385344 /nfs/dbraw/zinc/38/53/44/263385344.db2.gz WXQYEAALLIYBDO-UHFFFAOYSA-N 0 3 351.288 4.141 40 0 FIABHN Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039749601 263399381 /nfs/dbraw/zinc/39/93/81/263399381.db2.gz FDHHUJPCKQZNBT-UHFFFAOYSA-N 0 3 368.496 4.095 40 0 FIABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096052606 570474272 /nfs/dbraw/zinc/47/42/72/570474272.db2.gz UANIAIKDOACKBB-SFHVURJKSA-N 0 3 366.505 4.215 40 0 FIABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096052609 570474397 /nfs/dbraw/zinc/47/43/97/570474397.db2.gz PKPAYLMAMOYRTK-LJQANCHMSA-N 0 3 366.505 4.215 40 0 FIABHN Cc1ccc(CN2CCC3(C[C@H](c4ccccc4)C(=O)N3C)CC2)s1 ZINC000096061334 570474986 /nfs/dbraw/zinc/47/49/86/570474986.db2.gz VIVRIEMPWHCNKR-LJQANCHMSA-N 0 3 354.519 4.037 40 0 FIABHN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 ZINC000096100261 570475562 /nfs/dbraw/zinc/47/55/62/570475562.db2.gz NJZACTVQUDBXFM-FQEVSTJZSA-N 0 3 366.530 4.324 40 0 FIABHN O=C(CCc1ccccc1)N1CCC[C@]12CCCN(Cc1ccccc1)C2 ZINC000096214660 570479654 /nfs/dbraw/zinc/47/96/54/570479654.db2.gz SOZLYFKSVLWZOH-DEOSSOPVSA-N 0 3 362.517 4.276 40 0 FIABHN Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044933435 570539175 /nfs/dbraw/zinc/53/91/75/570539175.db2.gz ILTYFJLVWKILFS-PXNSSMCTSA-N 0 3 354.469 4.224 40 0 FIABHN O[C@]1(c2ccc(F)cc2)CCCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012143579 570721621 /nfs/dbraw/zinc/72/16/21/570721621.db2.gz QOSQEVMEQRHQLW-HXUWFJFHSA-N 0 3 371.481 4.151 40 0 FIABHN COc1ccc2[nH]c(CN3CCC(O)(c4ccc(F)cc4)CC3)c(C)c2c1 ZINC000012363574 570738765 /nfs/dbraw/zinc/73/87/65/570738765.db2.gz GFDQNXOCJMUHAP-UHFFFAOYSA-N 0 3 368.452 4.108 40 0 FIABHN COc1ccc(C2(O)[C@@H]3CCC[C@H]2CN(Cc2ccc(F)c(F)c2)C3)cc1 ZINC000012361651 570738776 /nfs/dbraw/zinc/73/87/76/570738776.db2.gz UXVXOUIGTMSEAE-VSOVRNOCSA-N 0 3 373.443 4.093 40 0 FIABHN O=C(NCCN1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000013687886 570784603 /nfs/dbraw/zinc/78/46/03/570784603.db2.gz QTVDDMHAQFPZPU-UHFFFAOYSA-N 0 3 372.896 4.135 40 0 FIABHN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 ZINC000019019531 570879366 /nfs/dbraw/zinc/87/93/66/570879366.db2.gz NLIMSVDJUDMWHZ-BJLQDIEVSA-N 0 3 374.937 4.238 40 0 FIABHN COc1ccc(OC)c(CN2CCC[C@@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240665 570884103 /nfs/dbraw/zinc/88/41/03/570884103.db2.gz DKWMRFTYLCZNCT-QGZVFWFLSA-N 0 3 365.477 4.040 40 0 FIABHN c1cnc2ccc(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)cc2c1 ZINC000019347007 570886798 /nfs/dbraw/zinc/88/67/98/570886798.db2.gz PLQNWDCBRBRXLK-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN CCOc1ccc(Br)cc1CNCCc1ccc(F)cc1 ZINC000022074622 570939249 /nfs/dbraw/zinc/93/92/49/570939249.db2.gz LYNQDJHPJNTICV-UHFFFAOYSA-N 0 3 352.247 4.319 40 0 FIABHN CCOc1ccccc1CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000022526482 570945981 /nfs/dbraw/zinc/94/59/81/570945981.db2.gz SMPLHYPQRYXDJU-UHFFFAOYSA-N 0 3 352.478 4.001 40 0 FIABHN Cc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1C ZINC000223929226 570972243 /nfs/dbraw/zinc/97/22/43/570972243.db2.gz ZCFSLSBSAIUDBC-UHFFFAOYSA-N 0 3 366.505 4.098 40 0 FIABHN Cc1ccccc1OCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000224331305 570984914 /nfs/dbraw/zinc/98/49/14/570984914.db2.gz ZWAFFFQYTINBDB-UHFFFAOYSA-N 0 3 366.505 4.036 40 0 FIABHN C[C@@H](CNC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000224331376 570985264 /nfs/dbraw/zinc/98/52/64/570985264.db2.gz CEHMWWKPRYLQKL-IBGZPJMESA-N 0 3 350.506 4.452 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)cc1 ZINC000224530089 570992319 /nfs/dbraw/zinc/99/23/19/570992319.db2.gz VKXULQWDYDCXGE-UHFFFAOYSA-N 0 3 370.924 4.219 40 0 FIABHN CCc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224851907 571002734 /nfs/dbraw/zinc/00/27/34/571002734.db2.gz WBICYCGCFOJNAA-UHFFFAOYSA-N 0 3 350.506 4.094 40 0 FIABHN CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3)cc2)CC1 ZINC000225310804 571027610 /nfs/dbraw/zinc/02/76/10/571027610.db2.gz JXRXYSGKUMTUBF-UHFFFAOYSA-N 0 3 372.896 4.384 40 0 FIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000225515542 571042049 /nfs/dbraw/zinc/04/20/49/571042049.db2.gz ROBUCNFFIAWEJM-UHFFFAOYSA-N 0 3 370.468 4.217 40 0 FIABHN CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225738386 571060676 /nfs/dbraw/zinc/06/06/76/571060676.db2.gz BROLPPWTPNLMRB-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN Cc1cc(C)cc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225742142 571061312 /nfs/dbraw/zinc/06/13/12/571061312.db2.gz WKVLICYGKUYHMY-UHFFFAOYSA-N 0 3 353.535 4.038 40 0 FIABHN COCCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257300993 571159540 /nfs/dbraw/zinc/15/95/40/571159540.db2.gz RWMBRMZUPVJMLS-INIZCTEOSA-N 0 3 371.456 4.015 40 0 FIABHN Cc1ccc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)cc1 ZINC000257305483 571160114 /nfs/dbraw/zinc/16/01/14/571160114.db2.gz SQGHCDKJTTVGLB-UHFFFAOYSA-N 0 3 359.473 4.049 40 0 FIABHN O=C(CNCCc1ccccc1)N1c2ccccc2CCc2ccccc21 ZINC000035311533 571160866 /nfs/dbraw/zinc/16/08/66/571160866.db2.gz MNWWBUQDTJWWKP-UHFFFAOYSA-N 0 3 356.469 4.282 40 0 FIABHN Cc1cc2nc([C@H]3CCCN(Cc4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000072340867 571179276 /nfs/dbraw/zinc/17/92/76/571179276.db2.gz YNQLZQQNFWVGKI-ZDUSSCGKSA-N 0 3 364.371 4.029 40 0 FIABHN COc1ccccc1Cc1cccc(C2CCN(Cc3cccnc3)CC2)n1 ZINC000072348863 571180654 /nfs/dbraw/zinc/18/06/54/571180654.db2.gz BNJGYBWINIFKFS-UHFFFAOYSA-N 0 3 373.500 4.456 40 0 FIABHN CNc1ncccc1CN1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350261 571181755 /nfs/dbraw/zinc/18/17/55/571181755.db2.gz ZAXLACUKGAEPJD-FQEVSTJZSA-N 0 3 372.516 4.489 40 0 FIABHN FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)c1 ZINC000072369960 571185123 /nfs/dbraw/zinc/18/51/23/571185123.db2.gz ATNIBGSMFCLVLI-HNNXBMFYSA-N 0 3 374.366 4.140 40 0 FIABHN Cc1cccnc1Nc1cncc([C@H]2CCCN2CCc2ccccc2)n1 ZINC000072376238 571186166 /nfs/dbraw/zinc/18/61/66/571186166.db2.gz BQKCMCWFKXNITL-HXUWFJFHSA-N 0 3 359.477 4.303 40 0 FIABHN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379057 571187436 /nfs/dbraw/zinc/18/74/36/571187436.db2.gz NMOVLGNDHLNDOK-GOSISDBHSA-N 0 3 361.493 4.165 40 0 FIABHN COc1ccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390078 571189547 /nfs/dbraw/zinc/18/95/47/571189547.db2.gz OSQUWYWXPCTAJM-OAHLLOKOSA-N 0 3 355.463 4.186 40 0 FIABHN CCCn1nc(C)c(-c2cncn2C[C@@H](c2ccc(C)cc2)N(C)C)c1C ZINC000072391891 571189984 /nfs/dbraw/zinc/18/99/84/571189984.db2.gz UFBHZPNHWBDCPV-NRFANRHFSA-N 0 3 365.525 4.385 40 0 FIABHN COCCCN(Cc1c2cccnc2[nH]c1C(C)C)Cc1cccnc1 ZINC000072393724 571190313 /nfs/dbraw/zinc/19/03/13/571190313.db2.gz ZCOHXLSOAARCCJ-UHFFFAOYSA-N 0 3 352.482 4.120 40 0 FIABHN c1c(CNC[C@H]2CCCO2)sc2ncnc(NC3CCCCCC3)c12 ZINC000003989202 204117141 /nfs/dbraw/zinc/11/71/41/204117141.db2.gz SASNRPJKZVJWQW-OAHLLOKOSA-N 0 3 360.527 4.095 40 0 in-vitro FIABHN COc1cc(CN)c(Br)cc1OCc1ccccc1Cl ZINC000004855840 204170179 /nfs/dbraw/zinc/17/01/79/204170179.db2.gz HTGOJZLGNUBGCW-UHFFFAOYSA-N 0 3 356.647 4.149 40 0 FIABHN CC[C@@H](CO)NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008326256 204327737 /nfs/dbraw/zinc/32/77/37/204327737.db2.gz HBGWQFHUJRYYBY-SFHVURJKSA-N 0 3 353.437 4.418 40 0 FIABHN Cc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3NCCN(C)C)cc1 ZINC000008412680 204330993 /nfs/dbraw/zinc/33/09/93/204330993.db2.gz BYIKYTOSFAXOTE-UHFFFAOYSA-N 0 3 371.488 4.369 40 0 FIABHN COc1cccc(CNC[C@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000008498054 204332889 /nfs/dbraw/zinc/33/28/89/204332889.db2.gz XLFAWGNMQASOCK-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN CC(C)C(NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C ZINC000038849163 205042892 /nfs/dbraw/zinc/04/28/92/205042892.db2.gz SWVVNNVDRQZJMZ-KRWDZBQOSA-N 0 3 350.934 4.349 40 0 FIABHN O=C(NCCCc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909196 205115392 /nfs/dbraw/zinc/11/53/92/205115392.db2.gz HAJMTEAQMXSXHK-FQEVSTJZSA-N 0 3 370.924 4.301 40 0 FIABHN Fc1ccc(-c2noc([C@@H]3CCCN3CCCc3ccccc3)n2)nc1 ZINC000049155375 206085883 /nfs/dbraw/zinc/08/58/83/206085883.db2.gz LTCHHTTVJQDJJU-SFHVURJKSA-N 0 3 352.413 4.040 40 0 biogenic,in-vitro FIABHN COc1ccc(OC[C@@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685812 206156405 /nfs/dbraw/zinc/15/64/05/206156405.db2.gz JCMGAXSQIBOSJA-WMZOPIPTSA-N 0 3 357.494 4.083 40 0 FIABHN Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1 ZINC000008578310 206217318 /nfs/dbraw/zinc/21/73/18/206217318.db2.gz VRFWIBANEXJTKA-AYHJJNSGSA-N 0 3 355.507 4.070 40 0 FIABHN O=c1[nH]c2c(cccc2Cc2ccccc2)cc1CNCc1ccccc1 ZINC000013566534 206303467 /nfs/dbraw/zinc/30/34/67/206303467.db2.gz LRYLAMPTFNIZGF-UHFFFAOYSA-N 0 3 354.453 4.409 40 0 FIABHN COc1ccc(CCNCC(=O)N2c3ccccc3[C@@H](C)CC2(C)C)cc1 ZINC000004894679 132255440 /nfs/dbraw/zinc/25/54/40/132255440.db2.gz QUKFWESELZACCU-KRWDZBQOSA-N 0 3 366.505 4.146 40 0 FIABHN O=C(c1cccc(Cl)c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408607258 263480893 /nfs/dbraw/zinc/48/08/93/263480893.db2.gz KIAUHVOCZWDVKS-FQEVSTJZSA-N 0 3 354.881 4.003 40 0 FIABHN CCOc1cccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000019931571 521356488 /nfs/dbraw/zinc/35/64/88/521356488.db2.gz UAVOQCPXZCTRJI-UHFFFAOYSA-N 0 3 352.478 4.001 40 0 FIABHN Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096051151 570474579 /nfs/dbraw/zinc/47/45/79/570474579.db2.gz SKXVCJREEXPHRN-GOSISDBHSA-N 0 3 363.477 4.189 40 0 FIABHN c1coc(CN[C@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)c1 ZINC000096241459 570479959 /nfs/dbraw/zinc/47/99/59/570479959.db2.gz UKEWFGIFROVAKO-QHCPKHFHSA-N 0 3 373.500 4.443 40 0 FIABHN c1coc(CN[C@@H]2CC3(CCN(Cc4cccnc4)CC3)c3ccccc32)c1 ZINC000096241458 570480040 /nfs/dbraw/zinc/48/00/40/570480040.db2.gz UKEWFGIFROVAKO-HSZRJFAPSA-N 0 3 373.500 4.443 40 0 FIABHN COc1ccc(CN(Cc2c(C)oc3ccccc32)C[C@@H](C)O)cc1OC ZINC000012185523 570724906 /nfs/dbraw/zinc/72/49/06/570724906.db2.gz IGBGSHSQATVZLB-OAHLLOKOSA-N 0 3 369.461 4.141 40 0 FIABHN CN(Cc1ccccc1OC[C@@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191747 570725854 /nfs/dbraw/zinc/72/58/54/570725854.db2.gz DNSLHXUKMRBATF-FQEVSTJZSA-N 0 3 362.473 4.425 40 0 FIABHN CC(C)Oc1ccc(CN2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000012220283 570728532 /nfs/dbraw/zinc/72/85/32/570728532.db2.gz LDXPEZRWQIGDHJ-UHFFFAOYSA-N 0 3 350.466 4.125 40 0 FIABHN Cc1ccnn1CCNCc1cc(-c2ccccc2)cnc1-c1ccncc1 ZINC000012233849 570730315 /nfs/dbraw/zinc/73/03/15/570730315.db2.gz MCBOLJKFCUHWGH-UHFFFAOYSA-N 0 3 369.472 4.105 40 0 FIABHN CN(Cc1cccc2ncccc12)Cc1cc(-c2ccccc2)c[nH]c1=O ZINC000012325988 570736736 /nfs/dbraw/zinc/73/67/36/570736736.db2.gz QRQNYFQUZLJIDA-UHFFFAOYSA-N 0 3 355.441 4.222 40 0 FIABHN COc1ccc2nc(CN3CCC(O)(c4ccc(C)cc4)CC3)ccc2c1 ZINC000012328857 570737386 /nfs/dbraw/zinc/73/73/86/570737386.db2.gz OJLBZWLCVGWJLZ-UHFFFAOYSA-N 0 3 362.473 4.035 40 0 FIABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000013673222 570783759 /nfs/dbraw/zinc/78/37/59/570783759.db2.gz POMGNZIAHDAYFX-UHFFFAOYSA-N 0 3 366.461 4.102 40 0 FIABHN O=C(C1CC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000019343528 570886092 /nfs/dbraw/zinc/88/60/92/570886092.db2.gz MBLYLWQQNAHIKO-GUDVDZBRSA-N 0 3 372.559 4.036 40 0 FIABHN COc1c(C)cc(C(=O)N2CCC[C@H](c3cc4c[nH]ccc-4n3)C2)cc1C ZINC000019570063 570894079 /nfs/dbraw/zinc/89/40/79/570894079.db2.gz XGBYSLMQDZPVHI-INIZCTEOSA-N 0 3 363.461 4.208 40 0 FIABHN COc1c(C)cc(C(=O)N2CCC[C@H](c3cc4cnccc4[nH]3)C2)cc1C ZINC000019570063 570894083 /nfs/dbraw/zinc/89/40/83/570894083.db2.gz XGBYSLMQDZPVHI-INIZCTEOSA-N 0 3 363.461 4.208 40 0 FIABHN Cc1noc2nc(C3CCN(Cc4ccccn4)CC3)cc(C(F)F)c12 ZINC000019565081 570894309 /nfs/dbraw/zinc/89/43/09/570894309.db2.gz KHIKIPYBCNCYCH-UHFFFAOYSA-N 0 3 358.392 4.243 40 0 FIABHN CN(C)CCNCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000022075035 570939380 /nfs/dbraw/zinc/93/93/80/570939380.db2.gz FPTJGQMZRXVFSI-UHFFFAOYSA-N 0 3 353.293 4.224 40 0 FIABHN Cc1cc(C)cc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 ZINC000225229670 571022913 /nfs/dbraw/zinc/02/29/13/571022913.db2.gz VYWCNPVYXQCYEK-UHFFFAOYSA-N 0 3 359.564 4.316 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCCSC3CCCCC3)CC2)cc1 ZINC000039773094 571023978 /nfs/dbraw/zinc/02/39/78/571023978.db2.gz OBLFACWZZBQDEG-UHFFFAOYSA-N 0 3 374.594 4.389 40 0 FIABHN Fc1cccc(-c2ccc3nc([C@@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306143439 571042470 /nfs/dbraw/zinc/04/24/70/571042470.db2.gz YCHAMSXZXKLQJI-GOSISDBHSA-N 0 3 350.441 4.125 40 0 FIABHN COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC(C)CC1 ZINC000225640293 571051870 /nfs/dbraw/zinc/05/18/70/571051870.db2.gz LCDSFXZAYNQNGT-UHFFFAOYSA-N 0 3 374.525 4.085 40 0 FIABHN CCC(=O)N(c1ccccc1)C1(COC)CCN(Cc2ccccc2)CC1 ZINC000033605090 571066032 /nfs/dbraw/zinc/06/60/32/571066032.db2.gz RIGNIZMZYKGGHY-UHFFFAOYSA-N 0 3 366.505 4.111 40 0 in-vitro FIABHN c1ccc(-c2noc([C@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)cc1 ZINC000257227420 571152255 /nfs/dbraw/zinc/15/22/55/571152255.db2.gz FPEIKVJKVGFXER-SFHVURJKSA-N 0 3 356.429 4.274 40 0 FIABHN O=C1O[C@@]2(CN1Cc1ccccc1)CCCN(Cc1ccc(F)cc1)CC2 ZINC000257302930 571159933 /nfs/dbraw/zinc/15/99/33/571159933.db2.gz SFAUWECOZFTUOC-QFIPXVFZSA-N 0 3 368.452 4.203 40 0 FIABHN Cc1cnc2[nH]c(C3CC3)c(CN(C)C[C@@H]3COc4ccccc4O3)c2c1 ZINC000072395255 571190741 /nfs/dbraw/zinc/19/07/41/571190741.db2.gz FHFMGQIXRQUXAC-MRXNPFEDSA-N 0 3 363.461 4.021 40 0 FIABHN Cc1cnc2[nH]c(C3CC3)c(CN(C)C[C@H]3COc4ccccc4O3)c2c1 ZINC000072395256 571190844 /nfs/dbraw/zinc/19/08/44/571190844.db2.gz FHFMGQIXRQUXAC-INIZCTEOSA-N 0 3 363.461 4.021 40 0 FIABHN Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3cccnc3)C2)o1 ZINC000585178865 571237853 /nfs/dbraw/zinc/23/78/53/571237853.db2.gz UFTHPUQGIVJCAH-GOSISDBHSA-N 0 3 351.425 4.179 40 0 FIABHN CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccccc3C)CC2)c1 ZINC000009062948 571302405 /nfs/dbraw/zinc/30/24/05/571302405.db2.gz YMEAUQQYDOVHQS-UHFFFAOYSA-N 0 3 350.462 4.048 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)cc1 ZINC000009063184 571302518 /nfs/dbraw/zinc/30/25/18/571302518.db2.gz NCCLKYCPUCVOJE-HXUWFJFHSA-N 0 3 364.533 4.345 40 0 FIABHN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCCC2)cc1 ZINC000010338131 571303210 /nfs/dbraw/zinc/30/32/10/571303210.db2.gz YQSZSBJRUZQCDA-UHFFFAOYSA-N 0 3 352.522 4.371 40 0 FIABHN CNc1cc(CN(C)CCC2=C(C)CCCC2(C)C)nc([C@H]2CCCN2)n1 ZINC000019760759 571327240 /nfs/dbraw/zinc/32/72/40/571327240.db2.gz NFTXFLPREKVANC-LJQANCHMSA-N 0 3 371.573 4.291 40 0 FIABHN CC(=O)OC1(c2nccc3ccccc32)CCN(Cc2ccccc2)CC1 ZINC000005389709 204207123 /nfs/dbraw/zinc/20/71/23/204207123.db2.gz ZXCNKOFMCKDVGP-UHFFFAOYSA-N 0 3 360.457 4.289 40 0 FIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)C1CCCCC1)C2 ZINC000035289816 204222885 /nfs/dbraw/zinc/22/28/85/204222885.db2.gz RCBWQPNTGIJOJM-SEJPIABJSA-N 0 3 370.537 4.277 40 0 FIABHN CC(C)(CO)NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000006883111 204279884 /nfs/dbraw/zinc/27/98/84/204279884.db2.gz KMORNUMLBDHDHG-UHFFFAOYSA-N 0 3 353.437 4.418 40 0 FIABHN CCOc1c(Br)cc(Br)cc1CNC(C)(C)C ZINC000008253299 204323567 /nfs/dbraw/zinc/32/35/67/204323567.db2.gz INLRVURNLUJLFI-UHFFFAOYSA-N 0 3 365.109 4.498 40 0 FIABHN CCOC(=O)c1cc(Cl)cnc1C1CCN(Cc2cccs2)CC1 ZINC000012275359 204445655 /nfs/dbraw/zinc/44/56/55/204445655.db2.gz FRMGZCGOXWYKMT-UHFFFAOYSA-N 0 3 364.898 4.353 40 0 FIABHN COc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752098 206023148 /nfs/dbraw/zinc/02/31/48/206023148.db2.gz IUKBSJKDVDQOSG-GOTSBHOMSA-N 0 3 373.537 4.273 40 0 FIABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCNCCOC(=O)Nc1ccccc1)C2 ZINC000002277159 206153564 /nfs/dbraw/zinc/15/35/64/206153564.db2.gz LBEOWKDSFZCIPA-YRISNDGFSA-N 0 3 360.498 4.056 40 0 FIABHN Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)c1 ZINC000001377861 206150359 /nfs/dbraw/zinc/15/03/59/206150359.db2.gz RANWOBBCXMYUCK-YQQQUEKLSA-N 0 3 354.519 4.372 40 0 FIABHN CCOc1c(Br)cc(CNCc2ccc(C)cc2)cc1OC ZINC000007538048 206244933 /nfs/dbraw/zinc/24/49/33/206244933.db2.gz ATBMYNRUMWRQQN-UHFFFAOYSA-N 0 3 364.283 4.455 40 0 FIABHN COCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008469148 206247126 /nfs/dbraw/zinc/24/71/26/206247126.db2.gz KOSCGBVMKXCZEG-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN CC(=O)Nc1cc(CCC2CCN(Cc3ccc(F)cc3)CC2)ccn1 ZINC000257297852 206620089 /nfs/dbraw/zinc/62/00/89/206620089.db2.gz RJAPDXNRLCWHGI-UHFFFAOYSA-N 0 3 355.457 4.024 40 0 FIABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccs2)C3)s1 ZINC000096047017 570473183 /nfs/dbraw/zinc/47/31/83/570473183.db2.gz SYCUZJGQAWOPAY-LJQANCHMSA-N 0 3 360.548 4.246 40 0 FIABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3cccc(C)c3)CC2)o1 ZINC000096049436 570474327 /nfs/dbraw/zinc/47/43/27/570474327.db2.gz FGLKOEIJZSXIJZ-UHFFFAOYSA-N 0 3 352.478 4.054 40 0 FIABHN COc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057054 570474428 /nfs/dbraw/zinc/47/44/28/570474428.db2.gz IUKBSJKDVDQOSG-XZOQPEGZSA-N 0 3 373.537 4.273 40 0 FIABHN OC1(COc2cccc(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 ZINC000585271341 570485455 /nfs/dbraw/zinc/48/54/55/570485455.db2.gz WVJHXOJEVHRIEV-UHFFFAOYSA-N 0 3 370.880 4.227 40 0 FIABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000585288432 570496502 /nfs/dbraw/zinc/49/65/02/570496502.db2.gz ACUISGPYEIQTKE-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN Cc1ccc(OCCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369843 570546868 /nfs/dbraw/zinc/54/68/68/570546868.db2.gz CFLULRNHYUYSRU-IBGZPJMESA-N 0 3 363.461 4.303 40 0 FIABHN Cc1nc(C)c(CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)s1 ZINC000329183228 570610867 /nfs/dbraw/zinc/61/08/67/570610867.db2.gz OUVURLREYQKRMX-HNNXBMFYSA-N 0 3 372.469 4.329 40 0 FIABHN COc1ccc(CN2CCC(c3cc4ncccc4cn3)CC2)cc1OC ZINC000012188672 570725244 /nfs/dbraw/zinc/72/52/44/570725244.db2.gz YTXUWZNFFBTWBH-UHFFFAOYSA-N 0 3 363.461 4.027 40 0 FIABHN COc1ccc(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)cc1 ZINC000012363655 570738794 /nfs/dbraw/zinc/73/87/94/570738794.db2.gz QFOKJRLCFMGFDM-UHFFFAOYSA-N 0 3 374.484 4.241 40 0 FIABHN COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012345049 570738824 /nfs/dbraw/zinc/73/88/24/570738824.db2.gz NAOKACACPUFDLI-RLAPIPATSA-N 0 3 355.453 4.157 40 0 FIABHN Cc1oc2ccccc2c1CN1CCC(n2c3ccccc3oc2=O)CC1 ZINC000012737669 570758623 /nfs/dbraw/zinc/75/86/23/570758623.db2.gz XSZPDQUOTBCYRG-UHFFFAOYSA-N 0 3 362.429 4.486 40 0 FIABHN Clc1cccc(-c2[nH]nc3c2CN(Cc2ccc4c(c2)OCO4)CC3)c1 ZINC000019293487 570885278 /nfs/dbraw/zinc/88/52/78/570885278.db2.gz OCUCOOVOPDIFTN-UHFFFAOYSA-N 0 3 367.836 4.017 40 0 FIABHN CN1CCCN([C@@H](c2ccccc2)c2ccc(Br)cc2)CC1 ZINC000019364955 570887511 /nfs/dbraw/zinc/88/75/11/570887511.db2.gz RKBSVZBELVJAHP-IBGZPJMESA-N 0 3 359.311 4.176 40 0 FIABHN COc1cccc(CN2CC[C@@](O)(c3ccccc3)C2)c1OC1CCCC1 ZINC000019568158 570894231 /nfs/dbraw/zinc/89/42/31/570894231.db2.gz LJJYLZIJLYWRED-QHCPKHFHSA-N 0 3 367.489 4.110 40 0 FIABHN CN(C)Cc1ccccc1Cn1cncc1-c1cnn(C2CCCCC2)c1 ZINC000019720011 570900832 /nfs/dbraw/zinc/90/08/32/570900832.db2.gz PYYKLLGUZSCIMZ-UHFFFAOYSA-N 0 3 363.509 4.362 40 0 FIABHN COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000225575124 571046633 /nfs/dbraw/zinc/04/66/33/571046633.db2.gz HSTGKOZHBGTYMX-SFHVURJKSA-N 0 3 366.505 4.418 40 0 FIABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc21 ZINC000030946873 571053454 /nfs/dbraw/zinc/05/34/54/571053454.db2.gz KDQXRBIBHZYIGR-GOSISDBHSA-N 0 3 354.881 4.141 40 0 FIABHN COc1ccc(/C=C/C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000031524404 571054601 /nfs/dbraw/zinc/05/46/01/571054601.db2.gz QXRSSQUMKFZGLH-SDNWHVSQSA-N 0 3 364.489 4.011 40 0 FIABHN CCSc1cc(OC)c(CCNCc2ccccc2OC)cc1OC ZINC000575419558 571149272 /nfs/dbraw/zinc/14/92/72/571149272.db2.gz OZEBFZPAWCXEGK-UHFFFAOYSA-N 0 3 361.507 4.157 40 0 in-vitro FIABHN Cc1c[nH]c(-c2cc([C@@H]3CCCN(Cc4ccccc4F)C3)nc(C)n2)n1 ZINC000257238445 571153036 /nfs/dbraw/zinc/15/30/36/571153036.db2.gz HLABVOMIDUOOHK-QGZVFWFLSA-N 0 3 365.456 4.002 40 0 FIABHN Cc1noc(C)c1-c1cc(C2CCN(Cc3ccncc3C)CC2)ccn1 ZINC000257337055 571162975 /nfs/dbraw/zinc/16/29/75/571162975.db2.gz YREIEKQBNMGJFE-UHFFFAOYSA-N 0 3 362.477 4.436 40 0 FIABHN Cc1cccc(Nc2cncc([C@@H]3CCCN3CCc3ccccc3)n2)n1 ZINC000072376235 571186117 /nfs/dbraw/zinc/18/61/17/571186117.db2.gz LYYIDLHWLJGYPX-FQEVSTJZSA-N 0 3 359.477 4.303 40 0 FIABHN Cc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379075 571187328 /nfs/dbraw/zinc/18/73/28/571187328.db2.gz XZEPMABWLHHPLK-GOSISDBHSA-N 0 3 350.441 4.094 40 0 FIABHN COc1ccccc1CN1CCC[C@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390083 571189658 /nfs/dbraw/zinc/18/96/58/571189658.db2.gz XZLYCPOVDSDBCS-HNNXBMFYSA-N 0 3 355.463 4.186 40 0 FIABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 ZINC000306125729 571213272 /nfs/dbraw/zinc/21/32/72/571213272.db2.gz DAASYGHBYCLAKL-LJQANCHMSA-N 0 3 371.531 4.156 40 0 FIABHN C[C@H](CCN1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000248160979 571291207 /nfs/dbraw/zinc/29/12/07/571291207.db2.gz XMIGJZFWLPJIND-XMSQKQJNSA-N 0 3 364.537 4.185 40 0 FIABHN Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 ZINC000035289780 204223173 /nfs/dbraw/zinc/22/31/73/204223173.db2.gz OJRLTGJWOJQRQF-SEJPIABJSA-N 0 3 366.480 4.450 40 0 FIABHN CCOc1c(Br)cc(Br)cc1CN[C@H](C)CC ZINC000008325920 204326430 /nfs/dbraw/zinc/32/64/30/204326430.db2.gz RHWAWKJXXJZHDP-SECBINFHSA-N 0 3 365.109 4.498 40 0 FIABHN CC[C@H](CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008326991 204327592 /nfs/dbraw/zinc/32/75/92/204327592.db2.gz RWOXUULJHXUMOH-LJQANCHMSA-N 0 3 353.437 4.418 40 0 FIABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000009876311 204385056 /nfs/dbraw/zinc/38/50/56/204385056.db2.gz IMBRHVAUQVXBCM-INIZCTEOSA-N 0 3 355.507 4.107 40 0 FIABHN Cc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]nc1C(C)(C)C ZINC000036740170 205020482 /nfs/dbraw/zinc/02/04/82/205020482.db2.gz WCZNNMOFSHZJHM-UHFFFAOYSA-N 0 3 365.525 4.305 40 0 FIABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000038771957 205042484 /nfs/dbraw/zinc/04/24/84/205042484.db2.gz YPJRZXBFOZQKNE-GOSISDBHSA-N 0 3 366.505 4.418 40 0 FIABHN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044912256 205114318 /nfs/dbraw/zinc/11/43/18/205114318.db2.gz IBSFESXMKANTFX-LJQANCHMSA-N 0 3 356.897 4.177 40 0 FIABHN COc1ccc(OC[C@H](O)CN[C@@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685814 206156222 /nfs/dbraw/zinc/15/62/22/206156222.db2.gz JCMGAXSQIBOSJA-FUHWJXTLSA-N 0 3 357.494 4.083 40 0 FIABHN FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1 ZINC000004895255 206182202 /nfs/dbraw/zinc/18/22/02/206182202.db2.gz CWRJLICBOSMOLO-UHFFFAOYSA-N 0 3 360.383 4.287 40 0 FIABHN Cc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004857261 206182543 /nfs/dbraw/zinc/18/25/43/206182543.db2.gz XPTPURYEAYOIHR-YQQQUEKLSA-N 0 3 369.534 4.460 40 0 FIABHN CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl ZINC000022931756 206395011 /nfs/dbraw/zinc/39/50/11/206395011.db2.gz MNPWXGVEGNCOQS-KRWDZBQOSA-N 0 3 361.892 4.361 40 0 FIABHN C[C@H](O)c1ccc(-c2ccc(CN[C@@H](C)[C@H](O)c3ccccc3)o2)cc1 ZINC000035539953 263398325 /nfs/dbraw/zinc/39/83/25/263398325.db2.gz VYSXKPWWGYKNEV-WCJKSRRJSA-N 0 3 351.446 4.212 40 0 FIABHN CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039745456 263399591 /nfs/dbraw/zinc/39/95/91/263399591.db2.gz FHUNCUOUBLLQLV-UHFFFAOYSA-N 0 3 356.441 4.075 40 0 FIABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccc(Cl)cc2)OC3)cc1 ZINC000096296374 560060275 /nfs/dbraw/zinc/06/02/75/560060275.db2.gz MGPSWBQREYKZFC-SFHVURJKSA-N 0 3 371.843 4.031 40 0 biogenic,in-vitro FIABHN COc1ccc([C@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1OC ZINC000222549298 568538333 /nfs/dbraw/zinc/53/83/33/568538333.db2.gz NPMTYLWAHHIOCD-CQSZACIVSA-N 0 3 366.248 4.234 40 0 FIABHN O=C(NCc1cccc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000222875702 568574896 /nfs/dbraw/zinc/57/48/96/568574896.db2.gz WHWMHHWVCGYXPS-UHFFFAOYSA-N 0 3 358.485 4.368 40 0 FIABHN O=C(c1cccs1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000096047298 570473694 /nfs/dbraw/zinc/47/36/94/570473694.db2.gz RNGOFOUAKLPKBU-UHFFFAOYSA-N 0 3 372.509 4.406 40 0 FIABHN O=C(c1ccsc1)N1CCC2(CCN(Cc3ccc(F)cc3)CC2)CC1 ZINC000096047273 570473787 /nfs/dbraw/zinc/47/37/87/570473787.db2.gz AGLQAHUNSNVUJT-UHFFFAOYSA-N 0 3 372.509 4.406 40 0 FIABHN Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4cccnc4)C3)C2)s1 ZINC000096051132 570474385 /nfs/dbraw/zinc/47/43/85/570474385.db2.gz AXSBCMQZYRDOKH-SFHVURJKSA-N 0 3 363.477 4.189 40 0 FIABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)N(C)C)c4ccccc43)CC2)o1 ZINC000096052703 570474587 /nfs/dbraw/zinc/47/45/87/570474587.db2.gz YQJLTXKAGTTXFV-SFHVURJKSA-N 0 3 366.505 4.087 40 0 FIABHN Cc1ccc(CN2CCC[C@@]23CCCN(C(=O)Nc2ccccc2)C3)o1 ZINC000096214628 570479470 /nfs/dbraw/zinc/47/94/70/570479470.db2.gz SYHLQYOCMFEGEF-OAQYLSRUSA-N 0 3 353.466 4.251 40 0 FIABHN Cc1nc(-c2ccccc2)nc2c1COC[C@]21CCN(Cc2ccccc2)C1 ZINC000096244646 570480065 /nfs/dbraw/zinc/48/00/65/570480065.db2.gz VSFCFNWRFZXQNB-XMMPIXPASA-N 0 3 371.484 4.126 40 0 FIABHN O=C(CCc1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 ZINC000007941333 570675361 /nfs/dbraw/zinc/67/53/61/570675361.db2.gz MRYUQZFSSRIHBV-UHFFFAOYSA-N 0 3 354.469 4.061 40 0 FIABHN FC(F)(F)c1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129181 570720598 /nfs/dbraw/zinc/72/05/98/570720598.db2.gz NPLHQBRWLOOSMN-DLBZAZTESA-N 0 3 372.394 4.207 40 0 FIABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239767 570730558 /nfs/dbraw/zinc/73/05/58/570730558.db2.gz IKOCHHCVEWMIMI-SFHVURJKSA-N 0 3 371.550 4.042 40 0 FIABHN Cc1ccc(C)c([C@@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000019132019 570880974 /nfs/dbraw/zinc/88/09/74/570880974.db2.gz RDWLYBXDYPMSQY-FQEVSTJZSA-N 0 3 368.452 4.497 40 0 FIABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC(O)(c2cccc(C)c2)CC1 ZINC000019234507 570883115 /nfs/dbraw/zinc/88/31/15/570883115.db2.gz HLHXPQMOHIWQGV-UHFFFAOYSA-N 0 3 352.453 4.407 40 0 FIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccccc1C ZINC000019237140 570883492 /nfs/dbraw/zinc/88/34/92/570883492.db2.gz XHZXCCGQPJZUML-UHFFFAOYSA-N 0 3 358.551 4.089 40 0 FIABHN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 ZINC000019499206 570890773 /nfs/dbraw/zinc/89/07/73/570890773.db2.gz COCDWLASLFUSME-VAMGGRTRSA-N 0 3 372.509 4.114 40 0 FIABHN CN1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CC1CCCCC1 ZINC000019589208 570895040 /nfs/dbraw/zinc/89/50/40/570895040.db2.gz DNOIGRAXKKSHGN-KCZVDYSFSA-N 0 3 358.501 4.185 40 0 FIABHN Cc1nccn1C[C@@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659003 570897307 /nfs/dbraw/zinc/89/73/07/570897307.db2.gz IOOQUEHIILYDRO-MRXNPFEDSA-N 0 3 354.885 4.305 40 0 FIABHN Cc1c(CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)cnn1C ZINC000019690495 570898514 /nfs/dbraw/zinc/89/85/14/570898514.db2.gz SAPOXCVTSGLVPG-UHFFFAOYSA-N 0 3 360.505 4.094 40 0 FIABHN CN(C)CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000022075510 570939351 /nfs/dbraw/zinc/93/93/51/570939351.db2.gz PLHBBWBFRNXPPO-UHFFFAOYSA-N 0 3 353.293 4.224 40 0 FIABHN O=C(Cc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCCC1 ZINC000224851058 571002680 /nfs/dbraw/zinc/00/26/80/571002680.db2.gz UHRBUOPNWMUIHS-UHFFFAOYSA-N 0 3 374.887 4.324 40 0 FIABHN O=C(Nc1ccc(F)c(F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938344 571052964 /nfs/dbraw/zinc/05/29/64/571052964.db2.gz OMUZMDCJOALRNY-AWEZNQCLSA-N 0 3 364.823 4.469 40 0 FIABHN O=C1O[C@]2(CN1Cc1ccccc1)CCCN(Cc1ccccc1F)CC2 ZINC000257265497 571155908 /nfs/dbraw/zinc/15/59/08/571155908.db2.gz LYWPLRZKZIRLIW-JOCHJYFZSA-N 0 3 368.452 4.203 40 0 FIABHN Cc1c[nH]c(-c2cc(C)nc([C@H]3CCCN(Cc4ccc(F)cc4)C3)n2)n1 ZINC000257288720 571158408 /nfs/dbraw/zinc/15/84/08/571158408.db2.gz PVHNBEZMTCBAOU-KRWDZBQOSA-N 0 3 365.456 4.002 40 0 FIABHN Cc1ccc(CN2CC[C@H]3O[C@H]4c5ccccc5OC(C)(C)[C@@H]4C[C@H]32)cn1 ZINC000257337593 571162860 /nfs/dbraw/zinc/16/28/60/571162860.db2.gz YTKVDLUFUIXLGS-CZAYHTPWSA-N 0 3 364.489 4.282 40 0 FIABHN Cc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072349972 571181441 /nfs/dbraw/zinc/18/14/41/571181441.db2.gz VCBQYTBLPPVWGT-OAQYLSRUSA-N 0 3 360.505 4.094 40 0 FIABHN COc1ccc(CN2CCCC[C@@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376771 571186255 /nfs/dbraw/zinc/18/62/55/571186255.db2.gz MQHWPEWUECQJTB-OAQYLSRUSA-N 0 3 374.488 4.462 40 0 FIABHN COc1ccccc1CN1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 ZINC000072390084 571189588 /nfs/dbraw/zinc/18/95/88/571189588.db2.gz XZLYCPOVDSDBCS-OAHLLOKOSA-N 0 3 355.463 4.186 40 0 FIABHN Cc1cc(N)c2cc(NC(=O)c3ccc(Br)cc3)ccc2n1 ZINC000072414094 571192391 /nfs/dbraw/zinc/19/23/91/571192391.db2.gz ZQASVQVHGUJUIW-UHFFFAOYSA-N 0 3 356.223 4.140 40 0 FIABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220915 571305326 /nfs/dbraw/zinc/30/53/26/571305326.db2.gz HLSOLTMMQBGQND-LPHOPBHVSA-N 0 3 356.897 4.429 40 0 FIABHN C[C@@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 ZINC000527876970 1109854935 /nfs/dbraw/zinc/85/49/35/1109854935.db2.gz WYBNSBNSTFMIEJ-CWTRNNRKSA-N 0 3 356.832 4.398 40 0 FIABHN CCCCN(CCCC)CC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 ZINC000004792390 204164801 /nfs/dbraw/zinc/16/48/01/204164801.db2.gz ZIGXMCZPXIMBRI-UHFFFAOYSA-N 0 3 362.514 4.340 40 0 FIABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1CCC(C)CC1 ZINC000006382248 204247369 /nfs/dbraw/zinc/24/73/69/204247369.db2.gz UGBFKDFUCIJCEJ-CNBHCMJISA-N 0 3 353.547 4.009 40 0 FIABHN CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000008254001 204324006 /nfs/dbraw/zinc/32/40/06/204324006.db2.gz SMGSISYMLAERHX-UHFFFAOYSA-N 0 3 367.848 4.193 40 0 FIABHN COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OC ZINC000008534228 204333809 /nfs/dbraw/zinc/33/38/09/204333809.db2.gz BYWQEZSARHEXQS-LBPRGKRZSA-N 0 3 350.256 4.317 40 0 FIABHN CC(C)(C)SCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852170 205042872 /nfs/dbraw/zinc/04/28/72/205042872.db2.gz SILAZCKKSKLMSZ-MRXNPFEDSA-N 0 3 368.974 4.200 40 0 FIABHN CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834353 205042997 /nfs/dbraw/zinc/04/29/97/205042997.db2.gz MIKSYOYJGICRDN-KRWDZBQOSA-N 0 3 356.441 4.075 40 0 FIABHN COc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044907115 205114346 /nfs/dbraw/zinc/11/43/46/205114346.db2.gz CGNGFGIMFTZUNK-UHFFFAOYSA-N 0 3 366.505 4.044 40 0 FIABHN CCOc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911254 205114800 /nfs/dbraw/zinc/11/48/00/205114800.db2.gz OFUKIYFVLJPRAF-KRWDZBQOSA-N 0 3 356.441 4.075 40 0 FIABHN COc1cccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)c1 ZINC000043277872 205103112 /nfs/dbraw/zinc/10/31/12/205103112.db2.gz KCFPWQKKMDGDMJ-UHFFFAOYSA-N 0 3 355.507 4.354 40 0 FIABHN Fc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752090 206023956 /nfs/dbraw/zinc/02/39/56/206023956.db2.gz YINWRGIHERSHJW-VXKWHMMOSA-N 0 3 361.501 4.404 40 0 FIABHN O=C1N(CC2CC2)c2ccccc2C12CCN(Cc1cccs1)CC2 ZINC000109753938 206063133 /nfs/dbraw/zinc/06/31/33/206063133.db2.gz UYCQHFXFAWPNCW-UHFFFAOYSA-N 0 3 352.503 4.039 40 0 FIABHN Cc1ccccc1CNc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000244186749 206120652 /nfs/dbraw/zinc/12/06/52/206120652.db2.gz VMIBDOQAABIDNA-UHFFFAOYSA-N 0 3 361.493 4.038 40 0 FIABHN O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000020503545 206336672 /nfs/dbraw/zinc/33/66/72/206336672.db2.gz MVSRCHDCCALPAW-FUHWJXTLSA-N 0 3 362.498 4.196 40 0 biogenic,in-vitro FIABHN O=C(CSCc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000030551665 518198806 /nfs/dbraw/zinc/19/88/06/518198806.db2.gz INFOAJWTQXKPNE-UHFFFAOYSA-N 0 3 368.546 4.222 40 0 FIABHN CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000020039064 519779666 /nfs/dbraw/zinc/77/96/66/519779666.db2.gz SYLPHTLETMAWBK-UHFFFAOYSA-N 0 3 366.505 4.390 40 0 FIABHN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000223191644 568624122 /nfs/dbraw/zinc/62/41/22/568624122.db2.gz CLQUZNHKDGTLGM-SFHVURJKSA-N 0 3 366.505 4.093 40 0 FIABHN O=C(Nc1ccccc1)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096046627 570473122 /nfs/dbraw/zinc/47/31/22/570473122.db2.gz LUAZABKBUQQEAG-UHFFFAOYSA-N 0 3 367.468 4.346 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)o1 ZINC000096047296 570473565 /nfs/dbraw/zinc/47/35/65/570473565.db2.gz ANOBNEDIBBNVBX-UHFFFAOYSA-N 0 3 358.507 4.168 40 0 FIABHN Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccc(F)cc2)CC3)c1 ZINC000096049438 570474322 /nfs/dbraw/zinc/47/43/22/570474322.db2.gz OFHJNTONCDYAIE-UHFFFAOYSA-N 0 3 366.480 4.291 40 0 FIABHN Cc1ccc(CN2CCC(F)(F)[C@]3(CCN(c4cccnc4)C3)C2)s1 ZINC000096051131 570474375 /nfs/dbraw/zinc/47/43/75/570474375.db2.gz AXSBCMQZYRDOKH-GOSISDBHSA-N 0 3 363.477 4.189 40 0 FIABHN COc1cccc(N[C@@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)c1 ZINC000096221410 570479399 /nfs/dbraw/zinc/47/93/99/570479399.db2.gz JZLPMCQDUSRRMU-FQEVSTJZSA-N 0 3 370.468 4.070 40 0 FIABHN COc1nc2cc(C)ccc2cc1CN(CCN(C)C)Cc1cccs1 ZINC000019234258 570883000 /nfs/dbraw/zinc/88/30/00/570883000.db2.gz MMPWRXWEWDMWNW-UHFFFAOYSA-N 0 3 369.534 4.177 40 0 FIABHN O=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1CN1CCCC1 ZINC000019662426 570897818 /nfs/dbraw/zinc/89/78/18/570897818.db2.gz NCZLBUQVROPPJN-UHFFFAOYSA-N 0 3 368.908 4.397 40 0 FIABHN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(Cc2cnn3cccnc23)C1 ZINC000019715809 570899843 /nfs/dbraw/zinc/89/98/43/570899843.db2.gz ZUUPJHVDKFAVMI-QGZVFWFLSA-N 0 3 374.492 4.040 40 0 FIABHN CC(C)n1c2ccccc2nc1[C@H]1CCCN(Cc2cnn3cccnc23)C1 ZINC000019715810 570899986 /nfs/dbraw/zinc/89/99/86/570899986.db2.gz ZUUPJHVDKFAVMI-KRWDZBQOSA-N 0 3 374.492 4.040 40 0 FIABHN COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OC ZINC000020111522 570910525 /nfs/dbraw/zinc/91/05/25/570910525.db2.gz LEGAEWXAMNPJLJ-UHFFFAOYSA-N 0 3 368.477 4.188 40 0 FIABHN COc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(OC)c1 ZINC000022514283 570944952 /nfs/dbraw/zinc/94/49/52/570944952.db2.gz VULKLXDLMQKQGN-UHFFFAOYSA-N 0 3 368.477 4.188 40 0 FIABHN CC[C@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000024181819 570972487 /nfs/dbraw/zinc/97/24/87/570972487.db2.gz INHJMDGTUMVBGO-QFIPXVFZSA-N 0 3 366.505 4.146 40 0 FIABHN Cc1cc(C)cc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000224078959 570976284 /nfs/dbraw/zinc/97/62/84/570976284.db2.gz YARDZDNMPNYOPN-UHFFFAOYSA-N 0 3 366.505 4.098 40 0 FIABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)CCCC2 ZINC000224854074 571002808 /nfs/dbraw/zinc/00/28/08/571002808.db2.gz AOAZZWXGSFMGNG-UHFFFAOYSA-N 0 3 362.517 4.481 40 0 FIABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccccc3)c2c1 ZINC000225232102 571022894 /nfs/dbraw/zinc/02/28/94/571022894.db2.gz OSHOCYKIAWGMNY-UHFFFAOYSA-N 0 3 350.491 4.250 40 0 FIABHN O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000039757681 571026127 /nfs/dbraw/zinc/02/61/27/571026127.db2.gz MJZCLCJTESEZJF-UHFFFAOYSA-N 0 3 373.294 4.300 40 0 FIABHN c1ccc(CNc2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)cc1 ZINC000306136546 571040448 /nfs/dbraw/zinc/04/04/48/571040448.db2.gz PWIKDUWJYCDKQN-SFHVURJKSA-N 0 3 361.493 4.073 40 0 FIABHN CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225618459 571050240 /nfs/dbraw/zinc/05/02/40/571050240.db2.gz ZGAMDFUJBBDHKQ-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN CC(C)Oc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000030940366 571052847 /nfs/dbraw/zinc/05/28/47/571052847.db2.gz ZROKDNQMXSSAEB-SFHVURJKSA-N 0 3 370.468 4.464 40 0 FIABHN CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225692567 571056192 /nfs/dbraw/zinc/05/61/92/571056192.db2.gz RPSYOHMVDBTJSF-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCCC1 ZINC000225711163 571058051 /nfs/dbraw/zinc/05/80/51/571058051.db2.gz CWQFGKGWSHYXBA-UHFFFAOYSA-N 0 3 374.525 4.229 40 0 FIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC(C)CC1 ZINC000225720121 571059233 /nfs/dbraw/zinc/05/92/33/571059233.db2.gz ZFVNDYHFVHDTLT-UHFFFAOYSA-N 0 3 374.525 4.085 40 0 FIABHN CC(=O)NCc1ccc([C@H]2CCCN2Cc2cccc3ccccc32)nc1 ZINC000257251594 571154529 /nfs/dbraw/zinc/15/45/29/571154529.db2.gz JRKLXFGOARQQOI-HSZRJFAPSA-N 0 3 359.473 4.208 40 0 FIABHN Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072349955 571181321 /nfs/dbraw/zinc/18/13/21/571181321.db2.gz NBJDWOUCJATGIC-GOSISDBHSA-N 0 3 350.441 4.001 40 0 FIABHN CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072379058 571187188 /nfs/dbraw/zinc/18/71/88/571187188.db2.gz NMOVLGNDHLNDOK-SFHVURJKSA-N 0 3 361.493 4.165 40 0 FIABHN Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3cccnc3)C2)o1 ZINC000585178866 571238001 /nfs/dbraw/zinc/23/80/01/571238001.db2.gz UFTHPUQGIVJCAH-SFHVURJKSA-N 0 3 351.425 4.179 40 0 FIABHN CCOc1ccc2c(ccc(/C=C/c3ccc([O-])c4ncccc34)[n+]2C)c1 ZINC000004900202 204174748 /nfs/dbraw/zinc/17/47/48/204174748.db2.gz FCFDWEARFQCYEH-UHFFFAOYSA-O 0 3 357.433 4.487 40 0 FIABHN O=C(CSc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000007850478 204308541 /nfs/dbraw/zinc/30/85/41/204308541.db2.gz BVRWOXSVUFWGDV-UHFFFAOYSA-N 0 3 354.519 4.081 40 0 FIABHN CC[C@@H](C)NCc1cc(Br)cc(Br)c1OC ZINC000008325919 204326740 /nfs/dbraw/zinc/32/67/40/204326740.db2.gz CKTVLMBUWRAVIT-MRVPVSSYSA-N 0 3 351.082 4.108 40 0 FIABHN CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccccc1 ZINC000008327038 204328001 /nfs/dbraw/zinc/32/80/01/204328001.db2.gz NCRQKIDEBDZCKR-QGZVFWFLSA-N 0 3 363.885 4.178 40 0 FIABHN CN1CCC[C@@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000009876329 204384579 /nfs/dbraw/zinc/38/45/79/204384579.db2.gz NIXCRBRFYJQIAS-INIZCTEOSA-N 0 3 354.523 4.058 40 0 FIABHN OC1(c2cccnc2)CCN(Cc2ccc(-c3cccc(F)c3)cc2)CC1 ZINC000012363648 204454921 /nfs/dbraw/zinc/45/49/21/204454921.db2.gz HVQINONOHLSNHO-UHFFFAOYSA-N 0 3 362.448 4.371 40 0 FIABHN COc1cccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)c1 ZINC000019217853 204670430 /nfs/dbraw/zinc/67/04/30/204670430.db2.gz YSGQRHKLFNVSIN-UHFFFAOYSA-N 0 3 369.490 4.495 40 0 FIABHN COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038849373 205043215 /nfs/dbraw/zinc/04/32/15/205043215.db2.gz SHFKTSJJUPFLKY-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNC1CCCCC1 ZINC000055107078 205206715 /nfs/dbraw/zinc/20/67/15/205206715.db2.gz PKIZYYZUOWTCBY-XNTDXEJSSA-N 0 3 350.871 4.256 40 0 FIABHN C[C@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000143578551 206138015 /nfs/dbraw/zinc/13/80/15/206138015.db2.gz PMNHALBISBERPU-SFHVURJKSA-N 0 3 362.517 4.265 40 0 FIABHN CCOc1ccc(Cl)cc1CNCCCSc1nc(C)cc(C)n1 ZINC000006678434 206204351 /nfs/dbraw/zinc/20/43/51/206204351.db2.gz PBPLMXZTKKHCIJ-UHFFFAOYSA-N 0 3 365.930 4.418 40 0 FIABHN O[C@H](COc1ccccc1Cl)CN1CCC(Cc2ccccc2)CC1 ZINC000006495869 206244106 /nfs/dbraw/zinc/24/41/06/206244106.db2.gz TYLAYNRUPNUTDX-IBGZPJMESA-N 0 3 359.897 4.034 40 0 FIABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020495479 520997022 /nfs/dbraw/zinc/99/70/22/520997022.db2.gz OHDBWOFJARBATM-UHFFFAOYSA-N 0 3 366.505 4.247 40 0 FIABHN O=c1c2ccccc2nc(SCCN2CCCCC2)n1C1CCCCC1 ZINC000000905594 570463583 /nfs/dbraw/zinc/46/35/83/570463583.db2.gz QZWYMTILVSONOC-UHFFFAOYSA-N 0 3 371.550 4.480 40 0 FIABHN Fc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057051 570474526 /nfs/dbraw/zinc/47/45/26/570474526.db2.gz YINWRGIHERSHJW-FGZHOGPDSA-N 0 3 361.501 4.404 40 0 FIABHN O[C@@]1(COc2cccc(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585272610 570486841 /nfs/dbraw/zinc/48/68/41/570486841.db2.gz OEQZRUWCBIJXDW-NRFANRHFSA-N 0 3 370.880 4.227 40 0 FIABHN Cn1nc(C2CCN(Cc3ccccc3C(F)(F)F)CC2)c2cccnc21 ZINC000012670251 570756361 /nfs/dbraw/zinc/75/63/61/570756361.db2.gz IWYSIUNIOOINMY-UHFFFAOYSA-N 0 3 374.410 4.367 40 0 FIABHN Cc1ccc(C)c([C@H](O)CN2CCC(c3noc4cc(F)ccc43)CC2)c1 ZINC000019132022 570880748 /nfs/dbraw/zinc/88/07/48/570880748.db2.gz RDWLYBXDYPMSQY-HXUWFJFHSA-N 0 3 368.452 4.497 40 0 FIABHN CC(C)c1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 ZINC000019453204 570889202 /nfs/dbraw/zinc/88/92/02/570889202.db2.gz AGVJEDBOGNRJGP-UHFFFAOYSA-N 0 3 363.465 4.030 40 0 FIABHN COc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1Cl ZINC000224851356 571002850 /nfs/dbraw/zinc/00/28/50/571002850.db2.gz LUFDFRZUZYNGDO-UHFFFAOYSA-N 0 3 372.896 4.265 40 0 FIABHN C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772009 571024108 /nfs/dbraw/zinc/02/41/08/571024108.db2.gz VSWUXNFZORVYRY-SFHVURJKSA-N 0 3 368.496 4.175 40 0 FIABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220907 571028023 /nfs/dbraw/zinc/02/80/23/571028023.db2.gz HLSOLTMMQBGQND-QFBILLFUSA-N 0 3 356.897 4.429 40 0 FIABHN CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)CCCC4)cc2)CC1 ZINC000225634088 571051132 /nfs/dbraw/zinc/05/11/32/571051132.db2.gz WWGMJPOLFNQJSQ-UHFFFAOYSA-N 0 3 364.489 4.291 40 0 FIABHN Cc1cc(C)c(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000225651314 571052648 /nfs/dbraw/zinc/05/26/48/571052648.db2.gz ZIRSRIGBKZQKHO-UHFFFAOYSA-N 0 3 352.478 4.337 40 0 FIABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000030946186 571053172 /nfs/dbraw/zinc/05/31/72/571053172.db2.gz LDMATMQBEHRHAL-UHFFFAOYSA-N 0 3 366.505 4.199 40 0 FIABHN CC(C)(C)c1ccc([O-])c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000257199926 571149053 /nfs/dbraw/zinc/14/90/53/571149053.db2.gz ABHFJVPRGIPESK-UHFFFAOYSA-N 0 3 366.505 4.216 40 0 FIABHN CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257217595 571151278 /nfs/dbraw/zinc/15/12/78/571151278.db2.gz CZQPNSGUSHGNEK-MRXNPFEDSA-N 0 3 353.466 4.258 40 0 FIABHN COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348864 571180642 /nfs/dbraw/zinc/18/06/42/571180642.db2.gz KHSVZKCQHZSGFO-OAQYLSRUSA-N 0 3 373.500 4.456 40 0 FIABHN Cc1cccc(OCCCN2CC[C@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369849 571185151 /nfs/dbraw/zinc/18/51/51/571185151.db2.gz MTUBUNAUKMRPKD-IBGZPJMESA-N 0 3 363.461 4.303 40 0 FIABHN Cc1ccc(Nc2nccc([C@@H]3CCCN3CCc3ccccc3)n2)nc1 ZINC000072377561 571186527 /nfs/dbraw/zinc/18/65/27/571186527.db2.gz UQTRQGQHGXOPBE-FQEVSTJZSA-N 0 3 359.477 4.303 40 0 FIABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000257313528 571215995 /nfs/dbraw/zinc/21/59/95/571215995.db2.gz UTADVVGQSDLMRJ-IPJJNNNSSA-N 0 3 357.542 4.187 40 0 FIABHN O=C1CC[C@@]2(CCCN(Cc3ccncc3)CC2)N1CC1CCCCC1 ZINC000585100864 571222389 /nfs/dbraw/zinc/22/23/89/571222389.db2.gz ZLIZZQZOROVUHP-JOCHJYFZSA-N 0 3 355.526 4.009 40 0 FIABHN N=C1N[C@H]([C@@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000253578319 571291814 /nfs/dbraw/zinc/29/18/14/571291814.db2.gz YERVHPOPRCNVGW-BHIFYINESA-N 0 3 374.509 4.482 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NCCSC3CCCCC3)CC2)c1 ZINC000009063028 571302606 /nfs/dbraw/zinc/30/26/06/571302606.db2.gz OHUTVVRQXKECBV-UHFFFAOYSA-N 0 3 374.594 4.389 40 0 FIABHN O=C(NCCSC1CCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010332772 571303118 /nfs/dbraw/zinc/30/31/18/571303118.db2.gz ZMZDAGIHNOUQLV-UHFFFAOYSA-N 0 3 360.567 4.468 40 0 FIABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000012292312 219975779 /nfs/dbraw/zinc/97/57/79/219975779.db2.gz DBZBERMUOVHAMT-QHCPKHFHSA-N 0 3 361.485 4.165 40 0 FIABHN CCN1CCC(OC(=O)c2ccccc2)(c2nccc3ccccc32)CC1 ZINC000004774532 204163269 /nfs/dbraw/zinc/16/32/69/204163269.db2.gz UKBNZWHAAQUZJH-UHFFFAOYSA-N 0 3 360.457 4.403 40 0 FIABHN CCC(=O)OC1(c2ccccc2)CCN(CCC(=O)c2ccccc2)CC1 ZINC000005046538 204187363 /nfs/dbraw/zinc/18/73/63/204187363.db2.gz GCFJWMMGLWBENW-UHFFFAOYSA-N 0 3 365.473 4.204 40 0 FIABHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccc(Cl)cc1 ZINC000008254506 204323286 /nfs/dbraw/zinc/32/32/86/204323286.db2.gz LAPABAKJTPANJI-UHFFFAOYSA-N 0 3 363.885 4.178 40 0 FIABHN CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccccc1 ZINC000008254056 204323606 /nfs/dbraw/zinc/32/36/06/204323606.db2.gz TYTRZZWUTCWEGC-UHFFFAOYSA-N 0 3 363.885 4.178 40 0 FIABHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008535053 204333991 /nfs/dbraw/zinc/33/39/91/204333991.db2.gz GMYOMDAJUSBARI-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN CSc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038852535 205043188 /nfs/dbraw/zinc/04/31/88/205043188.db2.gz HUVHOCDQWLVISR-MRXNPFEDSA-N 0 3 358.482 4.398 40 0 FIABHN Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044852650 205113721 /nfs/dbraw/zinc/11/37/21/205113721.db2.gz PFEFQMOYLDSDFO-LJQANCHMSA-N 0 3 366.505 4.178 40 0 FIABHN Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044933431 205115113 /nfs/dbraw/zinc/11/51/13/205115113.db2.gz ILTYFJLVWKILFS-FXAWDEMLSA-N 0 3 354.469 4.224 40 0 FIABHN Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)c(C)c1 ZINC000046103159 205133645 /nfs/dbraw/zinc/13/36/45/205133645.db2.gz KCZOIHIDAJPGPB-UHFFFAOYSA-N 0 3 353.535 4.038 40 0 FIABHN O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000005433825 206194432 /nfs/dbraw/zinc/19/44/32/206194432.db2.gz TZDSVQAWXDINOL-LSDHHAIUSA-N 0 3 368.527 4.258 40 0 biogenic,in-vitro FIABHN Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1C ZINC000008672787 206217105 /nfs/dbraw/zinc/21/71/05/206217105.db2.gz GIVKAJNHLCKCON-AYHJJNSGSA-N 0 3 369.534 4.378 40 0 FIABHN COc1ccc(CN(Cc2sccc2C)C[C@H]2CCCO2)cc1OC ZINC000013994157 206307587 /nfs/dbraw/zinc/30/75/87/206307587.db2.gz DIYXKNBRKIOHSS-QGZVFWFLSA-N 0 3 361.507 4.255 40 0 FIABHN CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022075839 206365891 /nfs/dbraw/zinc/36/58/91/206365891.db2.gz CXELMSXFMNJUDG-UHFFFAOYSA-N 0 3 364.892 4.490 40 0 FIABHN CN(C)CCOCCOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001678301 132382273 /nfs/dbraw/zinc/38/22/73/132382273.db2.gz OOVJCSPCMCAXEX-UHFFFAOYSA-N 0 3 358.463 4.004 40 0 in-man FIABHN Cc1ccc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)s1 ZINC000096047856 570473651 /nfs/dbraw/zinc/47/36/51/570473651.db2.gz QBVIBMMRHXUEFK-IBGZPJMESA-N 0 3 357.519 4.397 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)CCN(C(=O)c2ccsc2)CC3)o1 ZINC000096047271 570473828 /nfs/dbraw/zinc/47/38/28/570473828.db2.gz YBJFMHMKRJPELX-UHFFFAOYSA-N 0 3 358.507 4.168 40 0 FIABHN CC(C)NC(=O)C[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096052605 570474500 /nfs/dbraw/zinc/47/45/00/570474500.db2.gz UANIAIKDOACKBB-GOSISDBHSA-N 0 3 366.505 4.215 40 0 FIABHN O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000096625624 570481934 /nfs/dbraw/zinc/48/19/34/570481934.db2.gz GMCDNWORFIQLEZ-UHFFFAOYSA-N 0 3 374.887 4.050 40 0 FIABHN CC(C)(C)[C@@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 ZINC000013998643 570502794 /nfs/dbraw/zinc/50/27/94/570502794.db2.gz BXONUORTYBNVIJ-CQSZACIVSA-N 0 3 370.566 4.129 40 0 FIABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000100750226 570507615 /nfs/dbraw/zinc/50/76/15/570507615.db2.gz UTADVVGQSDLMRJ-XQBPLPMBSA-N 0 3 357.542 4.187 40 0 FIABHN O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019371972 570887915 /nfs/dbraw/zinc/88/79/15/570887915.db2.gz YOQUVFHGMHDYHY-SFHVURJKSA-N 0 3 367.493 4.117 40 0 FIABHN COc1ccccc1CN1CCCC[C@H]1c1n[nH]cc1-c1onc(C)c1C ZINC000019558014 570893052 /nfs/dbraw/zinc/89/30/52/570893052.db2.gz WJMAOTLTJZSVTJ-SFHVURJKSA-N 0 3 366.465 4.417 40 0 FIABHN O=C(Nc1ccccc1CN1CCCC1)[C@@H](c1ccccc1)N1CCCC1 ZINC000019659575 570897265 /nfs/dbraw/zinc/89/72/65/570897265.db2.gz HYIAZDOMVJLPAF-JOCHJYFZSA-N 0 3 363.505 4.058 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000224530849 570992311 /nfs/dbraw/zinc/99/23/11/570992311.db2.gz AXAUYVUWWMPKIZ-LJQANCHMSA-N 0 3 350.506 4.127 40 0 FIABHN Cc1ccc(C)c(NC(=S)NC2CCN(Cc3cccs3)CC2)c1 ZINC000225229617 571022943 /nfs/dbraw/zinc/02/29/43/571022943.db2.gz POMARZHLXYDURG-UHFFFAOYSA-N 0 3 359.564 4.316 40 0 FIABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Cl)cc1 ZINC000225742316 571061126 /nfs/dbraw/zinc/06/11/26/571061126.db2.gz HDFANBHFPSKKON-UHFFFAOYSA-N 0 3 359.926 4.075 40 0 FIABHN COc1cccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000225904832 571078744 /nfs/dbraw/zinc/07/87/44/571078744.db2.gz LTIUBTACESINGJ-KRWDZBQOSA-N 0 3 372.896 4.224 40 0 FIABHN CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903724 571078861 /nfs/dbraw/zinc/07/88/61/571078861.db2.gz XHONWOHCSGNDDD-SFHVURJKSA-N 0 3 374.887 4.350 40 0 FIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)CCc2ccccc2)c1 ZINC000257214619 571150821 /nfs/dbraw/zinc/15/08/21/571150821.db2.gz CMQREXZKMJEOFH-UHFFFAOYSA-N 0 3 373.500 4.125 40 0 FIABHN Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(CN3CCCC3)c2)s1 ZINC000257244402 571153696 /nfs/dbraw/zinc/15/36/96/571153696.db2.gz ILCZIUJZURCYFM-GOSISDBHSA-N 0 3 355.507 4.025 40 0 FIABHN Cc1ccsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1 ZINC000257259038 571155123 /nfs/dbraw/zinc/15/51/23/571155123.db2.gz KWOLHYKVHAMMBI-SFHVURJKSA-N 0 3 355.507 4.025 40 0 FIABHN CCC(=O)N(c1ccc(C)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000032164824 571167944 /nfs/dbraw/zinc/16/79/44/571167944.db2.gz XHWYYMNEJCMADF-UHFFFAOYSA-N 0 3 350.506 4.445 40 0 in-vitro FIABHN CCC(=O)N(c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1 ZINC000032164823 571167970 /nfs/dbraw/zinc/16/79/70/571167970.db2.gz QKQAUPIOVFHVJI-UHFFFAOYSA-N 0 3 366.505 4.145 40 0 in-vitro FIABHN Cc1nccn1-c1cccc(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000072379082 571187219 /nfs/dbraw/zinc/18/72/19/571187219.db2.gz ZIYNJFHTTYTEPF-UHFFFAOYSA-N 0 3 350.441 4.094 40 0 FIABHN O=c1cc(C2CC[NH+](CC3CCCCC3)CC2)nc(-c2ccncc2)[n-]1 ZINC000072392689 571190253 /nfs/dbraw/zinc/19/02/53/571190253.db2.gz HXHZPECTZIIQFX-UHFFFAOYSA-N 0 3 352.482 4.004 40 0 FIABHN Fc1ccc(CN2C[C@@H]3c4nc(Nc5ccccc5)ncc4C[C@@H]3C2)cc1 ZINC000306131149 571213912 /nfs/dbraw/zinc/21/39/12/571213912.db2.gz JXUSTSWZHHXBMD-XLIONFOSSA-N 0 3 360.436 4.131 40 0 FIABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccs2)C3)cc1 ZINC000035290314 204226112 /nfs/dbraw/zinc/22/61/12/204226112.db2.gz OUFFAGFIHVQTGR-YQQQUEKLSA-N 0 3 354.519 4.372 40 0 FIABHN CCOc1cc(CNCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000006783967 204269454 /nfs/dbraw/zinc/26/94/54/204269454.db2.gz QGNRNUJJJPQTDZ-UHFFFAOYSA-N 0 3 370.276 4.053 40 0 FIABHN CCOc1c(Br)cc(Br)cc1CN[C@@H](C)CC ZINC000008326683 204327482 /nfs/dbraw/zinc/32/74/82/204327482.db2.gz RHWAWKJXXJZHDP-VIFPVBQESA-N 0 3 365.109 4.498 40 0 FIABHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008497903 204332248 /nfs/dbraw/zinc/33/22/48/204332248.db2.gz KNSPZFJNLZCRIN-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN CCc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000008577647 204335005 /nfs/dbraw/zinc/33/50/05/204335005.db2.gz PBNXVLSZMCWJCQ-AYHJJNSGSA-N 0 3 369.534 4.324 40 0 FIABHN CCN1CCC(n2nccc2NC(=O)c2oc3ccc(C)cc3c2C)CC1 ZINC000019527057 204686805 /nfs/dbraw/zinc/68/68/05/204686805.db2.gz PRYIWUMSUDMPPC-UHFFFAOYSA-N 0 3 366.465 4.155 40 0 FIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038834224 205042854 /nfs/dbraw/zinc/04/28/54/205042854.db2.gz SGAUYZKONJXAOH-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN O=C(NCc1ccc(F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044932117 205114564 /nfs/dbraw/zinc/11/45/64/205114564.db2.gz CBYAYHXPELFREK-UHFFFAOYSA-N 0 3 374.459 4.314 40 0 FIABHN Cc1cccc(CNc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1 ZINC000243481317 206119297 /nfs/dbraw/zinc/11/92/97/206119297.db2.gz NOTIHJISLAAWTB-UHFFFAOYSA-N 0 3 361.493 4.038 40 0 FIABHN COc1ccc(OC[C@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685818 206155506 /nfs/dbraw/zinc/15/55/06/206155506.db2.gz JCMGAXSQIBOSJA-SJLPKXTDSA-N 0 3 357.494 4.083 40 0 FIABHN COCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000008469076 206247172 /nfs/dbraw/zinc/24/71/72/206247172.db2.gz MMDJMBNEPUQWAN-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225622712 206490140 /nfs/dbraw/zinc/49/01/40/206490140.db2.gz DFEBPPGMRODSPQ-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN CC(C)c1ccc(CN2CC[C@@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096216935 132222489 /nfs/dbraw/zinc/22/24/89/132222489.db2.gz GALIAHDVFOYOPC-JOCHJYFZSA-N 0 3 350.510 4.093 40 0 FIABHN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039750065 263399365 /nfs/dbraw/zinc/39/93/65/263399365.db2.gz PMKRWVFGUXGPHX-SFHVURJKSA-N 0 3 366.505 4.093 40 0 FIABHN Fc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1 ZINC000096112926 560061262 /nfs/dbraw/zinc/06/12/62/560061262.db2.gz DWGBGGGQYDLGHV-SFHVURJKSA-N 0 3 371.843 4.031 40 0 biogenic,in-vitro FIABHN O=C(c1cccs1)N1CCC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047020 570473165 /nfs/dbraw/zinc/47/31/65/570473165.db2.gz RVFNSQLQERHRAF-FQEVSTJZSA-N 0 3 358.482 4.016 40 0 FIABHN O=C1CC[C@@]2(CCCN(Cc3cccs3)CC2)N1Cc1cccc(F)c1 ZINC000096047546 570473686 /nfs/dbraw/zinc/47/36/86/570473686.db2.gz IKXHGNLOBMRFTM-OAQYLSRUSA-N 0 3 372.509 4.435 40 0 FIABHN O=C1CC[C@]2(CCCN(Cc3cccs3)CC2)N1Cc1cccc(F)c1 ZINC000096047547 570473855 /nfs/dbraw/zinc/47/38/55/570473855.db2.gz IKXHGNLOBMRFTM-NRFANRHFSA-N 0 3 372.509 4.435 40 0 FIABHN Cc1ccc(CN2CCC(F)(F)[C@@]3(CCN(c4ccccn4)C3)C2)s1 ZINC000096051152 570474457 /nfs/dbraw/zinc/47/44/57/570474457.db2.gz SKXVCJREEXPHRN-SFHVURJKSA-N 0 3 363.477 4.189 40 0 FIABHN O=C(Nc1ccccc1)N1CC2(C1)CCN(Cc1ccc(Cl)cc1)CC2 ZINC000096071013 570474948 /nfs/dbraw/zinc/47/49/48/570474948.db2.gz ATPGHKLJBYBLBB-UHFFFAOYSA-N 0 3 369.896 4.470 40 0 FIABHN CC(C)c1ccc(CN2CC[C@@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217196 570479579 /nfs/dbraw/zinc/47/95/79/570479579.db2.gz MKGXKMDYWZTHRR-HXUWFJFHSA-N 0 3 356.539 4.154 40 0 FIABHN CSc1ccccc1C(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613644 570582175 /nfs/dbraw/zinc/58/21/75/570582175.db2.gz ZFICBHOJQOTCJU-LJQANCHMSA-N 0 3 366.530 4.071 40 0 FIABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000012020198 570714014 /nfs/dbraw/zinc/71/40/14/570714014.db2.gz LLFJRAVCSWXZCL-UHFFFAOYSA-N 0 3 374.868 4.091 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3ccc(F)cc32)CC1 ZINC000012328488 570737146 /nfs/dbraw/zinc/73/71/46/570737146.db2.gz UUFXSVLGLXSVKU-UHFFFAOYSA-N 0 3 368.452 4.108 40 0 FIABHN O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000018151095 570875730 /nfs/dbraw/zinc/87/57/30/570875730.db2.gz VIXVYKMLENPMIN-UHFFFAOYSA-N 0 3 372.896 4.135 40 0 FIABHN CCN(CC)CCN[C@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000019366443 570887905 /nfs/dbraw/zinc/88/79/05/570887905.db2.gz PBTMTVRHVNGMHO-CQSZACIVSA-N 0 3 353.721 4.038 40 0 FIABHN CCN1CCC2(CC1)CN(Cc1ccsc1)Cc1cc(C)ccc1O2 ZINC000019527064 570892126 /nfs/dbraw/zinc/89/21/26/570892126.db2.gz NDMZAVMNGXEBNP-UHFFFAOYSA-N 0 3 356.535 4.306 40 0 FIABHN CN(Cc1ccc2ncccc2c1)Cc1cc(-c2ccccc2)c[nH]c1=O ZINC000019586450 570894998 /nfs/dbraw/zinc/89/49/98/570894998.db2.gz SDBPQVULBOCLED-UHFFFAOYSA-N 0 3 355.441 4.222 40 0 FIABHN Cc1nn(C)c2nc(C3CCN(Cc4ccccc4Cl)CC3)ccc12 ZINC000019744688 570901881 /nfs/dbraw/zinc/90/18/81/570901881.db2.gz GKEUIRCBQLKKEA-UHFFFAOYSA-N 0 3 354.885 4.310 40 0 FIABHN Oc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022463137 570944141 /nfs/dbraw/zinc/94/41/41/570944141.db2.gz KBSZKZDILXBWMX-UHFFFAOYSA-N 0 3 358.485 4.299 40 0 in-man FIABHN CC[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000024181816 570972567 /nfs/dbraw/zinc/97/25/67/570972567.db2.gz INHJMDGTUMVBGO-JOCHJYFZSA-N 0 3 366.505 4.146 40 0 FIABHN S=C(Nc1ccccc1Cl)NC1CCN(Cc2cccs2)CC1 ZINC000225229770 571022987 /nfs/dbraw/zinc/02/29/87/571022987.db2.gz LBKIBFCSIWJHNC-UHFFFAOYSA-N 0 3 365.955 4.353 40 0 FIABHN CCOc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039755512 571024960 /nfs/dbraw/zinc/02/49/60/571024960.db2.gz GIEOHAMLFZENEQ-UHFFFAOYSA-N 0 3 356.441 4.075 40 0 FIABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCC1 ZINC000225654698 571053024 /nfs/dbraw/zinc/05/30/24/571053024.db2.gz QCJHMVBIGMWFOH-UHFFFAOYSA-N 0 3 374.525 4.229 40 0 FIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCC1 ZINC000225709032 571058063 /nfs/dbraw/zinc/05/80/63/571058063.db2.gz QFDYWDNFPCATEA-UHFFFAOYSA-N 0 3 374.525 4.229 40 0 FIABHN Cc1ccc(CCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000225869936 571076634 /nfs/dbraw/zinc/07/66/34/571076634.db2.gz HZGCLLCVVNBBOS-UHFFFAOYSA-N 0 3 366.505 4.348 40 0 FIABHN CC(C)N1CCC[C@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257206110 571149829 /nfs/dbraw/zinc/14/98/29/571149829.db2.gz BBXBGMPSAQHMMK-KRWDZBQOSA-N 0 3 357.498 4.329 40 0 FIABHN Cc1nc(C(=O)N2[C@H](c3ccccc3)C[C@@]3(C)[C@@H]2CCCCCN3C)co1 ZINC000257252715 571154459 /nfs/dbraw/zinc/15/44/59/571154459.db2.gz JVVWKCZWKWMGHL-ONTIZHBOSA-N 0 3 367.493 4.203 40 0 FIABHN Cc1ccc(CNc2cc(-c3c[nH]nc3[C@@H]3CCN(C)C3)ccn2)cc1C ZINC000257259057 571155066 /nfs/dbraw/zinc/15/50/66/571155066.db2.gz KWQXNQLLTHTHRB-LJQANCHMSA-N 0 3 361.493 4.120 40 0 FIABHN Cc1ccc(C[NH+]2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1C ZINC000257322729 571161934 /nfs/dbraw/zinc/16/19/34/571161934.db2.gz WHCWMXZTCHOXNC-UHFFFAOYSA-N 0 3 374.492 4.007 40 0 FIABHN CCCCN1CC=C(c2nn3c(nnc3-c3ccccc3C)s2)CC1 ZINC000226250759 571276066 /nfs/dbraw/zinc/27/60/66/571276066.db2.gz LTBQFNDSSSXJKF-UHFFFAOYSA-N 0 3 353.495 4.050 40 0 FIABHN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009063631 571302647 /nfs/dbraw/zinc/30/26/47/571302647.db2.gz GEXOBKWDMXOBBU-UHFFFAOYSA-N 0 3 370.468 4.464 40 0 FIABHN Clc1ccc(OCc2cc([C@@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 ZINC000019696180 571304362 /nfs/dbraw/zinc/30/43/62/571304362.db2.gz YYIIPVDYYSHQJV-OAHLLOKOSA-N 0 3 368.868 4.027 40 0 FIABHN CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCCN2)n1 ZINC000257281166 571321796 /nfs/dbraw/zinc/32/17/96/571321796.db2.gz ONXOUKGJUVUQTQ-OAHLLOKOSA-N 0 3 350.388 4.043 40 0 FIABHN COCCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257245849 1093881611 /nfs/dbraw/zinc/88/16/11/1093881611.db2.gz IRHVBODWSZRWMZ-GOSISDBHSA-N 0 3 367.493 4.185 40 0 FIABHN CC(C)(C)OC(=O)N1CCC(OC2CCN(Cc3ccccc3)CC2)CC1 ZINC000261507111 210007639 /nfs/dbraw/zinc/00/76/39/210007639.db2.gz FKQOHTOQWWEIPM-UHFFFAOYSA-N 0 3 374.525 4.067 40 0 FIABHN CC(C)c1ccc([O-])c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000257341189 210005105 /nfs/dbraw/zinc/00/51/05/210005105.db2.gz ZJFUXNIBEMBAJR-UHFFFAOYSA-N 0 3 352.478 4.041 40 0 FIABHN COc1cccc(N[C@@H]2COC3(C2)CCN(Cc2ccc(C)s2)CC3)c1 ZINC000096221395 209138224 /nfs/dbraw/zinc/13/82/24/209138224.db2.gz CYKACSFSFLTNRA-SFHVURJKSA-N 0 3 372.534 4.301 40 0 FIABHN Cc1occc1C(=O)N1CCC2(CC(N(C)Cc3cccs3)C2)CC1 ZINC000096159280 209128193 /nfs/dbraw/zinc/12/81/93/209128193.db2.gz DQZGRPJRCIZMNN-UHFFFAOYSA-N 0 3 358.507 4.166 40 0 FIABHN O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1CN1CCCCC1 ZINC000007850051 207210412 /nfs/dbraw/zinc/21/04/12/207210412.db2.gz FLJXDGKUJNZWFZ-JLHYYAGUSA-N 0 3 352.453 4.141 40 0 FIABHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008337038 207230426 /nfs/dbraw/zinc/23/04/26/207230426.db2.gz QUCRVSIDRFHUSI-MRXNPFEDSA-N 0 3 354.277 4.433 40 0 FIABHN COc1c(Br)cc(Br)cc1CNC1CCCC1 ZINC000008469442 207233538 /nfs/dbraw/zinc/23/35/38/207233538.db2.gz DWOWVCUOQLDWOJ-UHFFFAOYSA-N 0 3 363.093 4.252 40 0 FIABHN CN(Cc1cccc2ncccc12)Cc1cc(-c2ccc(F)cc2)c[nH]c1=O ZINC000012187349 207346211 /nfs/dbraw/zinc/34/62/11/207346211.db2.gz IRNWSRSQJVLYPU-UHFFFAOYSA-N 0 3 373.431 4.361 40 0 FIABHN Cc1csc2c(C3CCN(CCOc4ccccc4F)CC3)nc(C)n12 ZINC000012087560 207336664 /nfs/dbraw/zinc/33/66/64/207336664.db2.gz RCZZKORIQUWSLW-UHFFFAOYSA-N 0 3 373.497 4.410 40 0 FIABHN CCN1CCC[C@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 ZINC000012222130 207349828 /nfs/dbraw/zinc/34/98/28/207349828.db2.gz MCAVBWKNNZNAMZ-KRWDZBQOSA-N 0 3 363.465 4.003 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccc3cccnc32)o1 ZINC000036740252 208171056 /nfs/dbraw/zinc/17/10/56/208171056.db2.gz HZHLDXGQYQZRJZ-UHFFFAOYSA-N 0 3 360.461 4.425 40 0 FIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000038850212 208209066 /nfs/dbraw/zinc/20/90/66/208209066.db2.gz VCGJEOIBQGFXBL-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN CN(C)C(=O)C[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096052700 209102939 /nfs/dbraw/zinc/10/29/39/209102939.db2.gz IOSAZBZMQGNOHX-SFHVURJKSA-N 0 3 368.546 4.248 40 0 FIABHN CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010336125 263364888 /nfs/dbraw/zinc/36/48/88/263364888.db2.gz WAPXLYRMYXINDO-UHFFFAOYSA-N 0 3 366.461 4.102 40 0 FIABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)o2)cc1 ZINC000022076832 263384753 /nfs/dbraw/zinc/38/47/53/263384753.db2.gz FWZBMQKDJVPEMN-UHFFFAOYSA-N 0 3 353.393 4.205 40 0 FIABHN Cc1cc(C)nc(Nc2cncc(C3CCN(Cc4ccccc4)CC3)n2)n1 ZINC000257279806 524595558 /nfs/dbraw/zinc/59/55/58/524595558.db2.gz OIGAYGONANQHCJ-UHFFFAOYSA-N 0 3 374.492 4.007 40 0 FIABHN Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2Cl)C3)cc1 ZINC000096269404 560054252 /nfs/dbraw/zinc/05/42/52/560054252.db2.gz JVQQEMCOLJLKAF-SFHVURJKSA-N 0 3 367.880 4.201 40 0 biogenic,in-vitro FIABHN CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000022931812 568314465 /nfs/dbraw/zinc/31/44/65/568314465.db2.gz MDFJGFSMTZUUKP-JOCHJYFZSA-N 0 3 360.505 4.116 40 0 FIABHN O=C(NCC1=CCCCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223414455 568652376 /nfs/dbraw/zinc/65/23/76/568652376.db2.gz ZCAVENGYJDCSCZ-UHFFFAOYSA-N 0 3 360.501 4.475 40 0 FIABHN Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292304 570732362 /nfs/dbraw/zinc/73/23/62/570732362.db2.gz OBPJSNXQYFOVPB-HSZRJFAPSA-N 0 3 361.485 4.165 40 0 FIABHN COc1ccc(C2(NCc3cnc(N4CCCCC4)nc3)CCCC2)cc1 ZINC000012328676 570737427 /nfs/dbraw/zinc/73/74/27/570737427.db2.gz JAMOZMOLEMFERF-UHFFFAOYSA-N 0 3 366.509 4.035 40 0 FIABHN Cc1cc2nc([C@@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129113 570880716 /nfs/dbraw/zinc/88/07/16/570880716.db2.gz QCZMLHBEXBICMJ-OAHLLOKOSA-N 0 3 360.383 4.046 40 0 FIABHN Cc1ccc([C@@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 ZINC000019132530 570880935 /nfs/dbraw/zinc/88/09/35/570880935.db2.gz MJCAUBXSJYOKQJ-FQEVSTJZSA-N 0 3 366.436 4.189 40 0 FIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 ZINC000195645845 570882177 /nfs/dbraw/zinc/88/21/77/570882177.db2.gz RVWBIJVQHWGJMQ-UHFFFAOYSA-N 0 3 352.478 4.078 40 0 FIABHN COc1ccc(OC)c(CN2CCC[C@H](c3nc(C)n4ccccc34)C2)c1 ZINC000019240666 570884006 /nfs/dbraw/zinc/88/40/06/570884006.db2.gz DKWMRFTYLCZNCT-KRWDZBQOSA-N 0 3 365.477 4.040 40 0 FIABHN COc1cccc(CN2CC[C@](O)(c3ccccc3)C2)c1OC1CCCC1 ZINC000019568161 570894013 /nfs/dbraw/zinc/89/40/13/570894013.db2.gz LJJYLZIJLYWRED-HSZRJFAPSA-N 0 3 367.489 4.110 40 0 FIABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC(COc2ccccn2)CC1 ZINC000019565480 570894021 /nfs/dbraw/zinc/89/40/21/570894021.db2.gz KEENVLSQXDKQCJ-UHFFFAOYSA-N 0 3 353.441 4.301 40 0 FIABHN CN(C)CCN(Cc1cccs1)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000019582666 570895030 /nfs/dbraw/zinc/89/50/30/570895030.db2.gz OYLZJQZYRMSFBW-UHFFFAOYSA-N 0 3 374.941 4.355 40 0 FIABHN CN(C(=O)C1CCCCC1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590845 570895696 /nfs/dbraw/zinc/89/56/96/570895696.db2.gz XRCMIIZEPADCEX-UHFFFAOYSA-N 0 3 370.537 4.231 40 0 FIABHN Cc1ccc(C)c(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000224008373 570974426 /nfs/dbraw/zinc/97/44/26/570974426.db2.gz VWOGPMVYFLJMPM-UHFFFAOYSA-N 0 3 366.505 4.098 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCc3ccc(F)cc3)cc2)CC1 ZINC000224331233 570984725 /nfs/dbraw/zinc/98/47/25/570984725.db2.gz DRJYVZLFASIKDO-UHFFFAOYSA-N 0 3 354.469 4.030 40 0 FIABHN Cc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)c(C)c1 ZINC000224851176 571002713 /nfs/dbraw/zinc/00/27/13/571002713.db2.gz XMLILPRQVUROBA-UHFFFAOYSA-N 0 3 350.506 4.148 40 0 FIABHN CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000225200201 571021586 /nfs/dbraw/zinc/02/15/86/571021586.db2.gz WIRMDXVXKUCXPI-KRWDZBQOSA-N 0 3 368.496 4.478 40 0 FIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 ZINC000225533930 571043543 /nfs/dbraw/zinc/04/35/43/571043543.db2.gz DSXGPYGUHODAKG-UHFFFAOYSA-N 0 3 366.505 4.468 40 0 FIABHN CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225622681 571050427 /nfs/dbraw/zinc/05/04/27/571050427.db2.gz DFEBPPGMRODSPQ-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN Cc1c[nH]c(-c2cc([C@H]3CCCN(Cc4ccccc4F)C3)nc(C)n2)n1 ZINC000257238444 571153093 /nfs/dbraw/zinc/15/30/93/571153093.db2.gz HLABVOMIDUOOHK-KRWDZBQOSA-N 0 3 365.456 4.002 40 0 FIABHN O=C1O[C@@]2(CN1Cc1ccccc1)CCCN(Cc1ccccc1F)CC2 ZINC000257265498 571156111 /nfs/dbraw/zinc/15/61/11/571156111.db2.gz LYWPLRZKZIRLIW-QFIPXVFZSA-N 0 3 368.452 4.203 40 0 FIABHN c1ccc(-c2cnc(-c3ccncc3)c(CNCc3cccnc3)c2)cc1 ZINC000072343212 571179751 /nfs/dbraw/zinc/17/97/51/571179751.db2.gz RBNJJHXMPDLPRO-UHFFFAOYSA-N 0 3 352.441 4.495 40 0 FIABHN OCc1ccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348845 571180365 /nfs/dbraw/zinc/18/03/65/571180365.db2.gz ZZTYRKAJQCDFPA-NRFANRHFSA-N 0 3 359.473 4.016 40 0 FIABHN CC(C)c1nccn1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072379067 571187357 /nfs/dbraw/zinc/18/73/57/571187357.db2.gz BAHRSIPDOSGRBL-LJQANCHMSA-N 0 3 361.493 4.165 40 0 FIABHN CN(C)C[C@H]1OCc2ccccc2[C@@H]1Oc1ccccc1Br ZINC000211354063 1086289776 /nfs/dbraw/zinc/28/97/76/1086289776.db2.gz OYYMRUNBKWKYBX-MSOLQXFVSA-N 0 3 362.267 4.030 40 0 FIABHN Cc1ccccc1O[C@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836246 209794454 /nfs/dbraw/zinc/79/44/54/209794454.db2.gz YTUOQLMJQPGKPY-LJQANCHMSA-N 0 3 366.505 4.065 40 0 FIABHN C[C@H](N)c1sc(Br)c(Br)c1Br ZINC000096525479 209154913 /nfs/dbraw/zinc/15/49/13/209154913.db2.gz NSBXAVICYCLWQN-REOHCLBHSA-N 0 3 363.900 4.055 40 0 FIABHN CC[C@]1(CN2CCCCC2)COc2c(Br)cc(C)cc2C1=O ZINC000005468353 207102535 /nfs/dbraw/zinc/10/25/35/207102535.db2.gz UEIBHXXTWOQDDB-SFHVURJKSA-N 0 3 366.299 4.215 40 0 FIABHN COc1cc(CN(C)CCc2ccccn2)ccc1OCc1ccccc1 ZINC000005810271 207117805 /nfs/dbraw/zinc/11/78/05/207117805.db2.gz SUFWINVWLQXKPI-UHFFFAOYSA-N 0 3 362.473 4.344 40 0 FIABHN O=C(COc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000007850531 207209642 /nfs/dbraw/zinc/20/96/42/207209642.db2.gz GVWYUZZQOSYEHY-UHFFFAOYSA-N 0 3 372.896 4.021 40 0 FIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c(C)c1 ZINC000009888655 207289969 /nfs/dbraw/zinc/28/99/69/207289969.db2.gz QTOATLXQMTXJDS-UHFFFAOYSA-N 0 3 366.505 4.098 40 0 FIABHN COc1cc(C)c(CN2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC ZINC000012133397 207340926 /nfs/dbraw/zinc/34/09/26/207340926.db2.gz DZQUORYVKPVTPR-UHFFFAOYSA-N 0 3 365.477 4.268 40 0 FIABHN Cc1cc(-c2snnc2C2CCN(CCCc3ccccc3)CC2)on1 ZINC000012223961 207350122 /nfs/dbraw/zinc/35/01/22/207350122.db2.gz ANNBHFBGELAGHD-UHFFFAOYSA-N 0 3 368.506 4.314 40 0 FIABHN CCN(CC)CCn1cc(C(=O)c2ccc(F)cc2)c2ccnc(Cl)c21 ZINC000012233913 207350379 /nfs/dbraw/zinc/35/03/79/207350379.db2.gz JKGWXNJHYQWUSS-UHFFFAOYSA-N 0 3 373.859 4.402 40 0 FIABHN COc1ccc2[nH]c(CN3CCC(O)(c4ccc(C)cc4)CC3)c(C)c2c1 ZINC000012292926 207353212 /nfs/dbraw/zinc/35/32/12/207353212.db2.gz HOPXCRGIKVYBBH-UHFFFAOYSA-N 0 3 364.489 4.277 40 0 FIABHN CCOC(=O)C(CNCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000031961897 208020194 /nfs/dbraw/zinc/02/01/94/208020194.db2.gz BSIMZGJLVUAINP-UHFFFAOYSA-N 0 3 359.469 4.326 40 0 FIABHN CC(C)(C)SCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038852172 208208426 /nfs/dbraw/zinc/20/84/26/208208426.db2.gz SILAZCKKSKLMSZ-INIZCTEOSA-N 0 3 368.974 4.200 40 0 FIABHN Cc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848702 208209041 /nfs/dbraw/zinc/20/90/41/208209041.db2.gz XDQWHJITONPMHJ-LJQANCHMSA-N 0 3 356.897 4.177 40 0 FIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(F)cc1 ZINC000043277667 208304988 /nfs/dbraw/zinc/30/49/88/208304988.db2.gz IFILNRWVPZVZCM-UHFFFAOYSA-N 0 3 353.441 4.123 40 0 FIABHN Cc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044909459 208321698 /nfs/dbraw/zinc/32/16/98/208321698.db2.gz BICYUNVEMNAMQO-NRFANRHFSA-N 0 3 368.496 4.095 40 0 FIABHN O=C(NCc1ccc(F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044932022 208322875 /nfs/dbraw/zinc/32/28/75/208322875.db2.gz ADIJKQSBBUBFPL-KRWDZBQOSA-N 0 3 360.860 4.008 40 0 FIABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000096052524 209103297 /nfs/dbraw/zinc/10/32/97/209103297.db2.gz DFIWSRISHXRFEP-UHFFFAOYSA-N 0 3 372.468 4.360 40 0 FIABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccccc2C)cc1 ZINC000001664914 263144221 /nfs/dbraw/zinc/14/42/21/263144221.db2.gz LBIAQAQGJAIYBG-UHFFFAOYSA-N 0 3 369.465 4.138 40 0 FIABHN Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039748229 263399421 /nfs/dbraw/zinc/39/94/21/263399421.db2.gz UPVIKJLQBVBZHF-UHFFFAOYSA-N 0 3 364.533 4.264 40 0 FIABHN Fc1ccc(CN2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000585260856 570480462 /nfs/dbraw/zinc/48/04/62/570480462.db2.gz MRDULJAXHBJNIU-MRXNPFEDSA-N 0 3 369.415 4.256 40 0 FIABHN Cc1ccc(C)c(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c1 ZINC000008685976 570684716 /nfs/dbraw/zinc/68/47/16/570684716.db2.gz LHDQWAIRSMDBRU-AYHJJNSGSA-N 0 3 369.534 4.378 40 0 FIABHN COc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC(C)C ZINC000012344345 570738157 /nfs/dbraw/zinc/73/81/57/570738157.db2.gz BEMSFCDPTJRRKR-UHFFFAOYSA-N 0 3 369.505 4.274 40 0 FIABHN O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCCC2)cc1 ZINC000017297822 570871664 /nfs/dbraw/zinc/87/16/64/570871664.db2.gz VHOHDFNYSIPXHV-UHFFFAOYSA-N 0 3 356.897 4.298 40 0 FIABHN C/C(=C\c1ccccc1)CN1CCCC[C@@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019014412 570879253 /nfs/dbraw/zinc/87/92/53/570879253.db2.gz DHLFXZHUTAZWSO-OVWUPXBPSA-N 0 3 362.521 4.095 40 0 FIABHN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019019514 570879555 /nfs/dbraw/zinc/87/95/55/570879555.db2.gz OYXYZKFBYSDPID-UFYCRDLUSA-N 0 3 374.937 4.238 40 0 FIABHN Cc1ccc([C@H](O)CN2CCc3onc(-c4cccc(F)c4)c3C2)c(C)c1 ZINC000019132533 570880711 /nfs/dbraw/zinc/88/07/11/570880711.db2.gz MJCAUBXSJYOKQJ-HXUWFJFHSA-N 0 3 366.436 4.189 40 0 FIABHN COc1ccccc1CN1CCCC[C@@H]1c1n[nH]cc1-c1onc(C)c1C ZINC000019558011 570893426 /nfs/dbraw/zinc/89/34/26/570893426.db2.gz WJMAOTLTJZSVTJ-GOSISDBHSA-N 0 3 366.465 4.417 40 0 FIABHN Cc1noc2nc(C3CCN(Cc4cccnc4)CC3)cc(C(F)F)c12 ZINC000019565088 570894352 /nfs/dbraw/zinc/89/43/52/570894352.db2.gz PLCMAXZVYVKZST-UHFFFAOYSA-N 0 3 358.392 4.243 40 0 FIABHN Cc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224836197 571001867 /nfs/dbraw/zinc/00/18/67/571001867.db2.gz YTUOQLMJQPGKPY-IBGZPJMESA-N 0 3 366.505 4.065 40 0 FIABHN COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000039767851 571023429 /nfs/dbraw/zinc/02/34/29/571023429.db2.gz OPRPCPCJLGWNFL-UHFFFAOYSA-N 0 3 352.478 4.163 40 0 FIABHN Cc1ccsc1CN1Cc2c(nc(C)n2C(C)C)C2(CCN(C)CC2)C1 ZINC000306141485 571042163 /nfs/dbraw/zinc/04/21/63/571042163.db2.gz VXTJAMWAZKZJNC-UHFFFAOYSA-N 0 3 372.582 4.122 40 0 FIABHN COC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 ZINC000225630600 571050706 /nfs/dbraw/zinc/05/07/06/571050706.db2.gz DPYQPODMENETQT-UHFFFAOYSA-N 0 3 374.525 4.229 40 0 FIABHN COC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCC1 ZINC000225628338 571050764 /nfs/dbraw/zinc/05/07/64/571050764.db2.gz IMEYEVFPWCVWIO-UHFFFAOYSA-N 0 3 374.525 4.085 40 0 FIABHN CO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635150 571051432 /nfs/dbraw/zinc/05/14/32/571051432.db2.gz QLUUQENQDOSFIU-XMSQKQJNSA-N 0 3 374.525 4.085 40 0 FIABHN CCCOC1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCCCC1 ZINC000225656949 571053303 /nfs/dbraw/zinc/05/33/03/571053303.db2.gz IUYICZSJDVGACX-UHFFFAOYSA-N 0 3 374.525 4.229 40 0 FIABHN CCCO[C@@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000225671850 571054338 /nfs/dbraw/zinc/05/43/38/571054338.db2.gz SSPSMPACPVFOGS-JOCHJYFZSA-N 0 3 374.525 4.085 40 0 FIABHN CN(C)CCNc1nc(Nc2c(F)cccc2F)cc(-c2ccccc2)n1 ZINC000253450976 571056534 /nfs/dbraw/zinc/05/65/34/571056534.db2.gz ZRTAESSWYWLWKS-UHFFFAOYSA-N 0 3 369.419 4.139 40 0 FIABHN S=C(NCCCN1CCc2ccccc2C1)Nc1cccc(Cl)c1 ZINC000225742272 571061154 /nfs/dbraw/zinc/06/11/54/571061154.db2.gz QEBQYNXTXDDDDQ-UHFFFAOYSA-N 0 3 359.926 4.075 40 0 FIABHN CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225749393 571061851 /nfs/dbraw/zinc/06/18/51/571061851.db2.gz WLPVDILFRQIEJN-OAQYLSRUSA-N 0 3 364.530 4.331 40 0 FIABHN O[C@@H](COc1ccccc1Cl)CN1CCC(Cc2ccccc2)CC1 ZINC000006495871 571150479 /nfs/dbraw/zinc/15/04/79/571150479.db2.gz TYLAYNRUPNUTDX-LJQANCHMSA-N 0 3 359.897 4.034 40 0 FIABHN Fc1ccccc1CN1CCC[C@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257329399 571162634 /nfs/dbraw/zinc/16/26/34/571162634.db2.gz XJVKBVZKACJWOK-KRWDZBQOSA-N 0 3 363.440 4.134 40 0 FIABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000072369857 571184928 /nfs/dbraw/zinc/18/49/28/571184928.db2.gz RPYPAXCHZUKATK-MRXNPFEDSA-N 0 3 369.852 4.388 40 0 FIABHN COc1cccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)c1 ZINC000072389931 571189186 /nfs/dbraw/zinc/18/91/86/571189186.db2.gz XWZZSHVRFONJHP-UHFFFAOYSA-N 0 3 355.463 4.186 40 0 FIABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)cs1 ZINC000585105457 571223758 /nfs/dbraw/zinc/22/37/58/571223758.db2.gz WYSDXJUCKKAAFY-FQEVSTJZSA-N 0 3 372.534 4.121 40 0 FIABHN CCCCN1CC=C(c2nn3c(nnc3-c3ccc(C)cc3)s2)CC1 ZINC000226250784 571276200 /nfs/dbraw/zinc/27/62/00/571276200.db2.gz MIMJNWZLCZIFOF-UHFFFAOYSA-N 0 3 353.495 4.050 40 0 FIABHN Cc1c2cc(Cl)ccc2n(C)c1C(=O)NCC(C)(C)N1CCCCC1 ZINC000141595618 571307285 /nfs/dbraw/zinc/30/72/85/571307285.db2.gz QDAQSRWRCCKCAO-UHFFFAOYSA-N 0 3 361.917 4.134 40 0 FIABHN COCCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257245850 1093881565 /nfs/dbraw/zinc/88/15/65/1093881565.db2.gz IRHVBODWSZRWMZ-SFHVURJKSA-N 0 3 367.493 4.185 40 0 FIABHN c1[nH]c2ccccc2c1Cc1nnc([C@H]2CCN(Cc3ccccc3)C2)o1 ZINC000049169730 209334460 /nfs/dbraw/zinc/33/44/60/209334460.db2.gz LIEUWMRNOQRYGV-KRWDZBQOSA-N 0 3 358.445 4.131 40 0 biogenic,in-vitro FIABHN Cc1nc(-c2ccccc2)nc2c1COC[C@@]21CCN(Cc2ccccc2)C1 ZINC000096244647 209143949 /nfs/dbraw/zinc/14/39/49/209143949.db2.gz VSFCFNWRFZXQNB-DEOSSOPVSA-N 0 3 371.484 4.126 40 0 FIABHN CC(=O)N1CCC2(CC1)C[C@@H](NCc1ccc(C)s1)c1ccccc1O2 ZINC000096242679 209143431 /nfs/dbraw/zinc/14/34/31/209143431.db2.gz MOOKGGDANWBIIK-LJQANCHMSA-N 0 3 370.518 4.051 40 0 FIABHN O=C(CCc1ccccc1)N1CCC[C@@]12CCCN(Cc1ccccc1)C2 ZINC000096214659 209136210 /nfs/dbraw/zinc/13/62/10/209136210.db2.gz SOZLYFKSVLWZOH-XMMPIXPASA-N 0 3 362.517 4.276 40 0 FIABHN CCC(=O)OC1(c2ccccc2)CCN(CCNc2ccccc2)CC1 ZINC000005010854 207072290 /nfs/dbraw/zinc/07/22/90/207072290.db2.gz LKMFRYVYGGGAOC-UHFFFAOYSA-N 0 3 352.478 4.043 40 0 FIABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@H](C)CCC[C@@H]1C ZINC000005047932 207076167 /nfs/dbraw/zinc/07/61/67/207076167.db2.gz QLRZGUBJCXPDGG-ZWZGKBJOSA-N 0 3 367.574 4.255 40 0 FIABHN COc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2)C3)cc1 ZINC000035289828 207114567 /nfs/dbraw/zinc/11/45/67/207114567.db2.gz SCAGAINRVULABU-SEJPIABJSA-N 0 3 364.489 4.011 40 0 FIABHN CCOCCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008253208 207226458 /nfs/dbraw/zinc/22/64/58/207226458.db2.gz XLQDFUXRRAQAPO-UHFFFAOYSA-N 0 3 363.885 4.444 40 0 FIABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@H](C)CCC[C@@H]1C ZINC000008637651 207240547 /nfs/dbraw/zinc/24/05/47/207240547.db2.gz QLRZGUBJCXPDGG-LECXIGBMSA-N 0 3 367.574 4.255 40 0 FIABHN CN1CCC[C@H](CNC(=S)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000009876305 207288177 /nfs/dbraw/zinc/28/81/77/207288177.db2.gz IMBRHVAUQVXBCM-MRXNPFEDSA-N 0 3 355.507 4.107 40 0 FIABHN COc1ccc2[nH]c(C)c(CN3CCC(O)(c4ccccc4F)CC3)c2c1 ZINC000012363509 207364749 /nfs/dbraw/zinc/36/47/49/207364749.db2.gz HKDAWDHHWZDFOL-UHFFFAOYSA-N 0 3 368.452 4.108 40 0 FIABHN C[C@@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000030552015 208001932 /nfs/dbraw/zinc/00/19/32/208001932.db2.gz AEGJBBRWQKJHMS-GOSISDBHSA-N 0 3 368.546 4.470 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1cccs1 ZINC000035289778 208121180 /nfs/dbraw/zinc/12/11/80/208121180.db2.gz UTVULYZHEJPRJP-AYHJJNSGSA-N 0 3 358.482 4.203 40 0 FIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038834223 208206337 /nfs/dbraw/zinc/20/63/37/208206337.db2.gz SGAUYZKONJXAOH-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853458 208208099 /nfs/dbraw/zinc/20/80/99/208208099.db2.gz PDBUOVZHEGJNBN-CQSZACIVSA-N 0 3 364.823 4.469 40 0 FIABHN Cc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038848760 208209254 /nfs/dbraw/zinc/20/92/54/208209254.db2.gz VXWVXZODTYMPHI-IBGZPJMESA-N 0 3 356.897 4.177 40 0 FIABHN Fc1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1 ZINC000043277675 208305326 /nfs/dbraw/zinc/30/53/26/208305326.db2.gz SZUPMJBLZHOFMX-UHFFFAOYSA-N 0 3 359.395 4.393 40 0 FIABHN COc1ccc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)cc1 ZINC000096047859 209099586 /nfs/dbraw/zinc/09/95/86/209099586.db2.gz VWPSENPBPLVULM-JOCHJYFZSA-N 0 3 367.489 4.036 40 0 FIABHN COc1ccc(CN2CCC3(C[C@H](OCc4ccccc4)CO3)CC2)cc1 ZINC000096047858 209099456 /nfs/dbraw/zinc/09/94/56/209099456.db2.gz VWPSENPBPLVULM-QFIPXVFZSA-N 0 3 367.489 4.036 40 0 FIABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076393 263385269 /nfs/dbraw/zinc/38/52/69/263385269.db2.gz WMAWNSMGSVDNBP-LJQANCHMSA-N 0 3 369.486 4.159 40 0 FIABHN Clc1ccc2nc(NCCN3CCCC3)nc(-c3ccccc3)c2c1 ZINC000000813259 570457868 /nfs/dbraw/zinc/45/78/68/570457868.db2.gz MWFMSIGDFXPXFL-UHFFFAOYSA-N 0 3 352.869 4.458 40 0 FIABHN Cc1cccc(CN[C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)c1C ZINC000585290536 570495797 /nfs/dbraw/zinc/49/57/97/570495797.db2.gz XUCMAYNYMFAPQX-PWRODBHTSA-N 0 3 359.897 4.407 40 0 FIABHN O=C(c1ccc(Cl)cc1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408606596 570578009 /nfs/dbraw/zinc/57/80/09/570578009.db2.gz IWHLZUBCFDSPLM-UHFFFAOYSA-N 0 3 354.881 4.003 40 0 FIABHN O=C(c1ccc(Cl)cc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408607317 570578516 /nfs/dbraw/zinc/57/85/16/570578516.db2.gz KUQVQQWXJFKEDN-FQEVSTJZSA-N 0 3 354.881 4.003 40 0 FIABHN COc1ccc(C)cc1CN1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 ZINC000012345038 570738728 /nfs/dbraw/zinc/73/87/28/570738728.db2.gz FXHMVTKBGRRGOX-RLAPIPATSA-N 0 3 355.453 4.157 40 0 FIABHN Fc1ccc(COc2ccc(Br)cc2CNC2CC2)cc1 ZINC000016401755 570855843 /nfs/dbraw/zinc/85/58/43/570855843.db2.gz WFHYPYLTGJYOPC-UHFFFAOYSA-N 0 3 350.231 4.419 40 0 FIABHN CCCN1CCC[C@@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 ZINC000019705248 570857899 /nfs/dbraw/zinc/85/78/99/570857899.db2.gz IUJBFXBXCAPILP-FQEVSTJZSA-N 0 3 360.523 4.114 40 0 FIABHN FC(F)(F)c1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019361741 570887580 /nfs/dbraw/zinc/88/75/80/570887580.db2.gz QTWQUBHVVOFXOE-SOLBZPMBSA-N 0 3 350.428 4.035 40 0 FIABHN CCOc1ccc(CN2CCC[C@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019533808 570892220 /nfs/dbraw/zinc/89/22/20/570892220.db2.gz DJPJZWYHPRQCIC-KRWDZBQOSA-N 0 3 365.477 4.350 40 0 FIABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000019577467 570894692 /nfs/dbraw/zinc/89/46/92/570894692.db2.gz ZGEDEYAKWBSJIV-SFHVURJKSA-N 0 3 351.498 4.337 40 0 FIABHN CN(C(=O)[C@@H]1CC=CCC1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590844 570895792 /nfs/dbraw/zinc/89/57/92/570895792.db2.gz WEUQVRVNUBVQTQ-TWEIKEKHSA-N 0 3 368.521 4.007 40 0 FIABHN Cc1cc(-c2cncnc2)cc(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019691943 570899098 /nfs/dbraw/zinc/89/90/98/570899098.db2.gz WSXKYLOOJPBKCC-UHFFFAOYSA-N 0 3 362.452 4.366 40 0 FIABHN CC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020483667 570917667 /nfs/dbraw/zinc/91/76/67/570917667.db2.gz WTYFFVGJOYYKGE-UHFFFAOYSA-N 0 3 365.477 4.129 40 0 FIABHN Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)cc1C ZINC000225229716 571023039 /nfs/dbraw/zinc/02/30/39/571023039.db2.gz QOXSVRBJXDIIJH-UHFFFAOYSA-N 0 3 359.564 4.316 40 0 FIABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)cc1 ZINC000306139676 571041547 /nfs/dbraw/zinc/04/15/47/571041547.db2.gz TXKJXCNCDKFHCH-NRFANRHFSA-N 0 3 365.502 4.095 40 0 FIABHN COc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1Cl ZINC000225647833 571052586 /nfs/dbraw/zinc/05/25/86/571052586.db2.gz UXKVMKJGVOKAQB-UHFFFAOYSA-N 0 3 374.868 4.074 40 0 FIABHN Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1Cl ZINC000225742798 571061181 /nfs/dbraw/zinc/06/11/81/571061181.db2.gz HSQICBKBXSNIMN-UHFFFAOYSA-N 0 3 373.953 4.383 40 0 FIABHN O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049568611 571109638 /nfs/dbraw/zinc/10/96/38/571109638.db2.gz AUBASQUVLJYPAO-WWPVKYPJSA-N 0 3 374.528 4.151 40 0 FIABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 ZINC000035075048 571151732 /nfs/dbraw/zinc/15/17/32/571151732.db2.gz ZDEGWONPYAWLCN-SRUXOGRHSA-N 0 3 357.538 4.027 40 0 FIABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCc3ccccc3C1)C2 ZINC000035075047 571151755 /nfs/dbraw/zinc/15/17/55/571151755.db2.gz ZDEGWONPYAWLCN-NNXSRULWSA-N 0 3 357.538 4.027 40 0 FIABHN CNc1ncccc1CN1CCC(c2cccc(Cc3ccccc3)n2)CC1 ZINC000072350260 571181732 /nfs/dbraw/zinc/18/17/32/571181732.db2.gz ULHKMOKKDSHHSM-UHFFFAOYSA-N 0 3 372.516 4.489 40 0 FIABHN CCCN1CCCC[C@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370384 571185081 /nfs/dbraw/zinc/18/50/81/571185081.db2.gz OUVKQPKMPCPJIJ-INIZCTEOSA-N 0 3 374.550 4.085 40 0 FIABHN c1cc([C@H]2CCCCN2CC2CCCCC2)nc(Nc2cncnc2)n1 ZINC000072377853 571186966 /nfs/dbraw/zinc/18/69/66/571186966.db2.gz SAFBCJIJGYPLKI-LJQANCHMSA-N 0 3 352.486 4.118 40 0 FIABHN CCC(=O)N(c1cccc(F)c1)C1CCN(CCc2ccccc2)CC1 ZINC000032266850 571356888 /nfs/dbraw/zinc/35/68/88/571356888.db2.gz SLTQVWMQISKVDN-UHFFFAOYSA-N 0 3 354.469 4.276 40 0 in-vitro FIABHN O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 ZINC000020503547 575370275 /nfs/dbraw/zinc/37/02/75/575370275.db2.gz YFORTSROAPLIIP-AZUAARDMSA-N 0 3 374.459 4.274 40 0 biogenic,in-vitro FIABHN Fc1ccc(Cc2cnc([C@@H]3CCCN(Cc4cccnc4)C3)o2)cc1 ZINC000257343379 210005289 /nfs/dbraw/zinc/00/52/89/210005289.db2.gz ZSSVVIFEBXWPLT-GOSISDBHSA-N 0 3 351.425 4.179 40 0 FIABHN Cc1cccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1C ZINC000244385716 209365950 /nfs/dbraw/zinc/36/59/50/209365950.db2.gz YDTIQJMKFWBXLD-UHFFFAOYSA-N 0 3 361.493 4.478 40 0 FIABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccccc2)Cc2c[nH]c3cccc1c23 ZINC000049171376 209333586 /nfs/dbraw/zinc/33/35/86/209333586.db2.gz ZEHPQBZGABUDOW-SFTDATJTSA-N 0 3 361.489 4.086 40 0 biogenic,in-vitro FIABHN Cc1ccc(CN2CCC[C@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 ZINC000096215926 209135601 /nfs/dbraw/zinc/13/56/01/209135601.db2.gz RJDOQJFUXJEGNM-FQEVSTJZSA-N 0 3 358.507 4.086 40 0 FIABHN O=C(Nc1ccccc1)N1CC[C@@]2(CCCN2Cc2cccc(F)c2)C1 ZINC000096071093 209106897 /nfs/dbraw/zinc/10/68/97/209106897.db2.gz MZGIYTXTUGIWDE-NRFANRHFSA-N 0 3 353.441 4.098 40 0 FIABHN CC(C)(CO)NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006883151 207175381 /nfs/dbraw/zinc/17/53/81/207175381.db2.gz ZRWONAGQFUZSGG-UHFFFAOYSA-N 0 3 354.277 4.433 40 0 FIABHN COc1ccc(C2(NCc3cncn3Cc3ccccc3)CCCC2)cc1 ZINC000012143847 207342170 /nfs/dbraw/zinc/34/21/70/207342170.db2.gz HRVLLJRIOVCJTN-UHFFFAOYSA-N 0 3 361.489 4.499 40 0 FIABHN Cc1cc(-c2snnc2C2CCN(Cc3ccc(C)s3)CC2)on1 ZINC000012223979 207349958 /nfs/dbraw/zinc/34/99/58/207349958.db2.gz LYTKPZLQJUPFSN-UHFFFAOYSA-N 0 3 360.508 4.251 40 0 FIABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000012239770 207351038 /nfs/dbraw/zinc/35/10/38/207351038.db2.gz IKOCHHCVEWMIMI-GOSISDBHSA-N 0 3 371.550 4.042 40 0 FIABHN CCn1nc(C)c(CN(CCCn2ccnc2)Cc2ccccc2C)c1C ZINC000036740166 208171325 /nfs/dbraw/zinc/17/13/25/208171325.db2.gz DENLQMGDMXSMFT-UHFFFAOYSA-N 0 3 365.525 4.117 40 0 FIABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832820 208206433 /nfs/dbraw/zinc/20/64/33/208206433.db2.gz DUJMFFOAICBBPW-VQIMIIECSA-N 0 3 356.897 4.429 40 0 FIABHN COc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000044906909 208321916 /nfs/dbraw/zinc/32/19/16/208321916.db2.gz VTEJKLKHMQERNP-UHFFFAOYSA-N 0 3 366.505 4.044 40 0 FIABHN Cc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044909455 208321989 /nfs/dbraw/zinc/32/19/89/208321989.db2.gz BICYUNVEMNAMQO-OAQYLSRUSA-N 0 3 368.496 4.095 40 0 FIABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934098 208322117 /nfs/dbraw/zinc/32/21/17/208322117.db2.gz QOEGIPJGEUPJSC-CRAIPNDOSA-N 0 3 358.432 4.054 40 0 FIABHN CCN1CCC(Oc2ncnc3c2c(C)c(C)n3C2CCCCC2)CC1 ZINC000072336008 208835557 /nfs/dbraw/zinc/83/55/57/208835557.db2.gz CAWOBNGZOZSNFV-UHFFFAOYSA-N 0 3 356.514 4.416 40 0 FIABHN c1ccc(CN2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)cc1 ZINC000096242545 132224022 /nfs/dbraw/zinc/22/40/22/132224022.db2.gz DMLICHBPXFTEGA-UHFFFAOYSA-N 0 3 370.500 4.031 40 0 FIABHN COc1ccc2c(c1)CCN(c1cc(NC3CCCCC3)nc(C)n1)C2 ZINC000329039603 132372734 /nfs/dbraw/zinc/37/27/34/132372734.db2.gz RXURVOAJRACKCG-UHFFFAOYSA-N 0 3 352.482 4.101 40 0 FIABHN COc1cc(NC(=O)c2ccc(CN3CCCC3)cc2)c(OC)cc1Cl ZINC000010338942 263364978 /nfs/dbraw/zinc/36/49/78/263364978.db2.gz PRKBEAHGZMLSRU-UHFFFAOYSA-N 0 3 374.868 4.205 40 0 FIABHN c1csc(Nc2cccc(CC3CCN(Cc4ccccn4)CC3)n2)n1 ZINC000585262550 570481522 /nfs/dbraw/zinc/48/15/22/570481522.db2.gz FANVDUOBJKBCNE-UHFFFAOYSA-N 0 3 365.506 4.131 40 0 FIABHN CCN1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000006517651 570648199 /nfs/dbraw/zinc/64/81/99/570648199.db2.gz PZEGXSQMVRJJLZ-UHFFFAOYSA-N 0 3 365.521 4.378 40 0 FIABHN CC(C)(C)C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000019082152 570879890 /nfs/dbraw/zinc/87/98/90/570879890.db2.gz SRFVGNATAUYBCN-UHFFFAOYSA-N 0 3 362.945 4.388 40 0 FIABHN CN(C(=O)CC(C)(C)C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019082520 570880290 /nfs/dbraw/zinc/88/02/90/570880290.db2.gz QPOPVAJSGCZILZ-UHFFFAOYSA-N 0 3 358.526 4.087 40 0 FIABHN Cc1cc2nc([C@H]3CCN(Cc4ccccc4)C3)cc(C(F)(F)F)n2n1 ZINC000019129117 570881001 /nfs/dbraw/zinc/88/10/01/570881001.db2.gz QCZMLHBEXBICMJ-HNNXBMFYSA-N 0 3 360.383 4.046 40 0 FIABHN Cc1cc(C)n(C2CCN(Cc3c(C)n(C)nc3-c3ccccc3)CC2)n1 ZINC000019658566 570896841 /nfs/dbraw/zinc/89/68/41/570896841.db2.gz BXSHFFVCRGHQPM-UHFFFAOYSA-N 0 3 363.509 4.046 40 0 FIABHN CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020105789 570909880 /nfs/dbraw/zinc/90/98/80/570909880.db2.gz MGPIAZQYJFFRAE-UHFFFAOYSA-N 0 3 350.462 4.373 40 0 FIABHN O=C(CCc1ccccc1F)NCc1ccccc1CN1CCCCC1 ZINC000024182299 570972495 /nfs/dbraw/zinc/97/24/95/570972495.db2.gz GUCRYJZENSIPDI-UHFFFAOYSA-N 0 3 354.469 4.061 40 0 FIABHN O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCCC2)cc1 ZINC000224095578 570976973 /nfs/dbraw/zinc/97/69/73/570976973.db2.gz NOROMKLLDPZOCW-UHFFFAOYSA-N 0 3 372.896 4.135 40 0 FIABHN CCc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224840138 571001904 /nfs/dbraw/zinc/00/19/04/571001904.db2.gz VIFNPYZYNGXKMR-UHFFFAOYSA-N 0 3 364.533 4.484 40 0 FIABHN COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039761025 571023113 /nfs/dbraw/zinc/02/31/13/571023113.db2.gz JVWGHQYTIDSNTG-SFHVURJKSA-N 0 3 366.505 4.093 40 0 FIABHN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039766916 571023671 /nfs/dbraw/zinc/02/36/71/571023671.db2.gz QNLHAMGLHPYNIT-UHFFFAOYSA-N 0 3 364.823 4.469 40 0 FIABHN c1ccc(CNc2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)cc1 ZINC000306136545 571039462 /nfs/dbraw/zinc/03/94/62/571039462.db2.gz PWIKDUWJYCDKQN-GOSISDBHSA-N 0 3 361.493 4.073 40 0 FIABHN CO[C@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635201 571051478 /nfs/dbraw/zinc/05/14/78/571051478.db2.gz QLUUQENQDOSFIU-PGRDOPGGSA-N 0 3 374.525 4.085 40 0 FIABHN Fc1ccccc1Cc1cnc([C@H]2CCCN(Cc3ccccn3)C2)o1 ZINC000257207106 571149823 /nfs/dbraw/zinc/14/98/23/571149823.db2.gz BGJLUTUGNZSTSR-KRWDZBQOSA-N 0 3 351.425 4.179 40 0 FIABHN Cc1ncsc1CN1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21 ZINC000257255910 571154805 /nfs/dbraw/zinc/15/48/05/571154805.db2.gz KJJRRXWVGNGBPM-CIWUYKSXSA-N 0 3 370.518 4.343 40 0 FIABHN COc1cccc(Cc2cnc([C@H]3CCN(Cc4scnc4C)C3)o2)c1 ZINC000257324001 571162047 /nfs/dbraw/zinc/16/20/47/571162047.db2.gz WMTOMTRORHELOB-INIZCTEOSA-N 0 3 369.490 4.028 40 0 FIABHN CC(=O)NCc1cnc([C@H]2CCCN2C2CCCCC2)cc1C(F)(F)F ZINC000072355974 571182360 /nfs/dbraw/zinc/18/23/60/571182360.db2.gz RBPWCKHZWDOESV-GOSISDBHSA-N 0 3 369.431 4.206 40 0 FIABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)c1 ZINC000072369867 571185136 /nfs/dbraw/zinc/18/51/36/571185136.db2.gz KGKMTLGAWLCIRV-MRXNPFEDSA-N 0 3 369.852 4.388 40 0 FIABHN COc1cccc(-c2noc([C@H]3CCN(Cc4cccc(Cl)c4)C3)n2)c1 ZINC000072369882 571185154 /nfs/dbraw/zinc/18/51/54/571185154.db2.gz XYMSUZGJQPIXCI-INIZCTEOSA-N 0 3 369.852 4.388 40 0 FIABHN Fc1ccc(CN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375920 571185765 /nfs/dbraw/zinc/18/57/65/571185765.db2.gz IKOSIOOAZLPIIL-KRWDZBQOSA-N 0 3 363.440 4.134 40 0 FIABHN Cc1ccc(Nc2nccc([C@H]3CCCN3CCc3ccccc3)n2)nc1 ZINC000072377562 571186698 /nfs/dbraw/zinc/18/66/98/571186698.db2.gz UQTRQGQHGXOPBE-HXUWFJFHSA-N 0 3 359.477 4.303 40 0 FIABHN c1cc([C@@H]2CCCCN2CC2CCCCC2)nc(Nc2cncnc2)n1 ZINC000072377852 571187074 /nfs/dbraw/zinc/18/70/74/571187074.db2.gz SAFBCJIJGYPLKI-IBGZPJMESA-N 0 3 352.486 4.118 40 0 FIABHN CCc1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379078 571187406 /nfs/dbraw/zinc/18/74/06/571187406.db2.gz ZUANFGFBVZMUHF-SFHVURJKSA-N 0 3 364.468 4.348 40 0 FIABHN O=C1CC[C@]2(CCCN(Cc3ccncc3)CC2)N1CC1CCCCC1 ZINC000585100865 571222497 /nfs/dbraw/zinc/22/24/97/571222497.db2.gz ZLIZZQZOROVUHP-QFIPXVFZSA-N 0 3 355.526 4.009 40 0 FIABHN O=C1CCCC[C@@H]2[C@H](CCN2Cc2ccccc2-c2ccccc2F)N1 ZINC000019713222 571304687 /nfs/dbraw/zinc/30/46/87/571304687.db2.gz LMFHXPAZFSYQHM-LEWJYISDSA-N 0 3 352.453 4.126 40 0 FIABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cc1 ZINC000049170105 209334556 /nfs/dbraw/zinc/33/45/56/209334556.db2.gz PKXFTISDJPFKGY-HNNXBMFYSA-N 0 3 371.387 4.013 40 0 biogenic,in-vitro FIABHN Cc1ccn(CCNCc2cc(-c3ccccc3)cnc2-c2ccncc2)n1 ZINC000012233860 219971303 /nfs/dbraw/zinc/97/13/03/219971303.db2.gz KVYRDJFFKLNKBW-UHFFFAOYSA-N 0 3 369.472 4.105 40 0 FIABHN Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)c4sccc4C)C3)C2)o1 ZINC000096215928 209135720 /nfs/dbraw/zinc/13/57/20/209135720.db2.gz RJDOQJFUXJEGNM-HXUWFJFHSA-N 0 3 358.507 4.086 40 0 FIABHN CC(C)c1ccc(CN2CC[C@]3(C2)CCCN(c2nncs2)C3)cc1 ZINC000096217199 209136258 /nfs/dbraw/zinc/13/62/58/209136258.db2.gz MKGXKMDYWZTHRR-FQEVSTJZSA-N 0 3 356.539 4.154 40 0 FIABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)CCC2CCCC2)cc1 ZINC000006462827 207141472 /nfs/dbraw/zinc/14/14/72/207141472.db2.gz KBDQYOHWDRBVSH-UHFFFAOYSA-N 0 3 360.498 4.094 40 0 FIABHN COC(=O)c1cccc2nc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)oc21 ZINC000035446930 207179457 /nfs/dbraw/zinc/17/94/57/207179457.db2.gz BGVWRDUNZCKFAB-AWEZNQCLSA-N 0 3 370.836 4.257 40 0 biogenic,in-vitro FIABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008535075 207236504 /nfs/dbraw/zinc/23/65/04/207236504.db2.gz FEPWRAFNAHUJLC-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN COc1ccc(OC)c(CN2CCC(c3cc4ncccc4cn3)CC2)c1 ZINC000012188675 207346669 /nfs/dbraw/zinc/34/66/69/207346669.db2.gz MUQCMXCAXPCCMZ-UHFFFAOYSA-N 0 3 363.461 4.027 40 0 FIABHN CCCc1ccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)s1 ZINC000012330697 207363728 /nfs/dbraw/zinc/36/37/28/207363728.db2.gz XKHLCQAITWWSCZ-UHFFFAOYSA-N 0 3 374.525 4.467 40 0 FIABHN Cn1cc([C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012330345 207363764 /nfs/dbraw/zinc/36/37/64/207363764.db2.gz JCXCNWJVSOOQRF-JOCHJYFZSA-N 0 3 350.437 4.140 40 0 FIABHN Cc1cc(CN(CCCn2ccnc2)Cc2ccccc2F)cc(C)c1O ZINC000043277852 208304377 /nfs/dbraw/zinc/30/43/77/208304377.db2.gz OTTIGKMPCDLQMB-UHFFFAOYSA-N 0 3 367.468 4.437 40 0 FIABHN O=C(Cc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000045581832 208336790 /nfs/dbraw/zinc/33/67/90/208336790.db2.gz FTDWLHICBQUZGU-UHFFFAOYSA-N 0 3 356.897 4.185 40 0 FIABHN O=C(N[C@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932966 208321829 /nfs/dbraw/zinc/32/18/29/208321829.db2.gz CABHMTIXRDPSCZ-KNQAVFIVSA-N 0 3 366.480 4.232 40 0 FIABHN O=C(NCCCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044909192 208322690 /nfs/dbraw/zinc/32/26/90/208322690.db2.gz HAJMTEAQMXSXHK-HXUWFJFHSA-N 0 3 370.924 4.301 40 0 FIABHN Cc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044909685 208323392 /nfs/dbraw/zinc/32/33/92/208323392.db2.gz QPOULKAHGSAYMM-OAQYLSRUSA-N 0 3 368.496 4.095 40 0 FIABHN O=C(c1cccs1)N1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047019 209101137 /nfs/dbraw/zinc/10/11/37/209101137.db2.gz RVFNSQLQERHRAF-HXUWFJFHSA-N 0 3 358.482 4.016 40 0 FIABHN O=C(c1ccsc1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 ZINC000096047269 209099579 /nfs/dbraw/zinc/09/95/79/209099579.db2.gz DCNMUORRCCQDHK-UHFFFAOYSA-N 0 3 360.548 4.328 40 0 FIABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934101 570539199 /nfs/dbraw/zinc/53/91/99/570539199.db2.gz QOEGIPJGEUPJSC-YJBOKZPZSA-N 0 3 358.432 4.054 40 0 FIABHN Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)c(C)c1 ZINC000008670224 570684806 /nfs/dbraw/zinc/68/48/06/570684806.db2.gz IGFNRAFAQVZOFX-AYHJJNSGSA-N 0 3 369.534 4.378 40 0 FIABHN CCOc1ccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000009063100 570797363 /nfs/dbraw/zinc/79/73/63/570797363.db2.gz LAKHCWZTKYZHCD-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccncc2)CC2CCCCC2)on1 ZINC000019120640 570880396 /nfs/dbraw/zinc/88/03/96/570880396.db2.gz LFCMHOJSTWJTPA-IFMALSPDSA-N 0 3 369.509 4.018 40 0 FIABHN Cc1ccsc1CN(CCCN1CCOCC1)Cc1ccc(C)cc1 ZINC000019210126 570881798 /nfs/dbraw/zinc/88/17/98/570881798.db2.gz HDLLHSPAZMDUQP-UHFFFAOYSA-N 0 3 358.551 4.089 40 0 FIABHN COc1ccc2[nH]c(C)c(CCNCc3nc4ccccc4s3)c2c1 ZINC000019798226 570903271 /nfs/dbraw/zinc/90/32/71/570903271.db2.gz UHGUYQAPFGLKAH-UHFFFAOYSA-N 0 3 351.475 4.427 40 0 FIABHN CCOc1ccc(Br)cc1CNCCc1ccccc1F ZINC000022074620 570939374 /nfs/dbraw/zinc/93/93/74/570939374.db2.gz HLIXAFHKQWPIFB-UHFFFAOYSA-N 0 3 352.247 4.319 40 0 FIABHN CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000224881007 571003703 /nfs/dbraw/zinc/00/37/03/571003703.db2.gz LMLNOAHDEFNJRO-UHFFFAOYSA-N 0 3 350.506 4.424 40 0 FIABHN Cc1ccc(NC(=S)Nc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000225455633 571036611 /nfs/dbraw/zinc/03/66/11/571036611.db2.gz IWJWVQCWFKQPEM-UHFFFAOYSA-N 0 3 355.507 4.277 40 0 FIABHN CN1CCC(Oc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)CC1 ZINC000225460456 571036869 /nfs/dbraw/zinc/03/68/69/571036869.db2.gz BFOZOYJVYOJIJU-UHFFFAOYSA-N 0 3 359.470 4.108 40 0 FIABHN COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225615087 571049840 /nfs/dbraw/zinc/04/98/40/571049840.db2.gz FUSRSTORWLWUMS-UHFFFAOYSA-N 0 3 364.530 4.043 40 0 FIABHN CCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCC1 ZINC000225706702 571057712 /nfs/dbraw/zinc/05/77/12/571057712.db2.gz IIETXEJLYGIMCN-UHFFFAOYSA-N 0 3 374.525 4.085 40 0 FIABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCCN(C2CCCC2)C1 ZINC000257200095 571149064 /nfs/dbraw/zinc/14/90/64/571149064.db2.gz ABYQQQSEZURJBS-AWEZNQCLSA-N 0 3 357.523 4.120 40 0 FIABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 ZINC000257268919 571156419 /nfs/dbraw/zinc/15/64/19/571156419.db2.gz MNUMPJDGDRHZEV-GOSISDBHSA-N 0 3 367.493 4.183 40 0 FIABHN O=C1O[C@]2(CN1Cc1ccccc1)CCCN(Cc1ccc(F)cc1)CC2 ZINC000257302929 571159862 /nfs/dbraw/zinc/15/98/62/571159862.db2.gz SFAUWECOZFTUOC-JOCHJYFZSA-N 0 3 368.452 4.203 40 0 FIABHN Cn1cc(CN2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072349953 571181420 /nfs/dbraw/zinc/18/14/20/571181420.db2.gz DYOIHNICOKYEGD-QGZVFWFLSA-N 0 3 350.441 4.001 40 0 FIABHN c1cnc([N-]c2nccc([C@H]3CCCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377847 571186599 /nfs/dbraw/zinc/18/65/99/571186599.db2.gz ZYSNKGNXADZGTL-GOSISDBHSA-N 0 3 352.486 4.118 40 0 FIABHN c1cnc([N-]c2nccc([C@H]3CCCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377847 571186600 /nfs/dbraw/zinc/18/66/00/571186600.db2.gz ZYSNKGNXADZGTL-GOSISDBHSA-N 0 3 352.486 4.118 40 0 FIABHN Cc1noc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(C(F)F)c12 ZINC000072390186 571189615 /nfs/dbraw/zinc/18/96/15/571189615.db2.gz DHZADJLRYYOJKO-AWEZNQCLSA-N 0 3 358.392 4.243 40 0 FIABHN C[C@H](N[C@@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 ZINC000527876971 1109855055 /nfs/dbraw/zinc/85/50/55/1109855055.db2.gz WYBNSBNSTFMIEJ-HXPMCKFVSA-N 0 3 356.832 4.398 40 0 FIABHN Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)cc1 ZINC000049169784 209333942 /nfs/dbraw/zinc/33/39/42/209333942.db2.gz JWEJVYTZDMSNFK-SFHVURJKSA-N 0 3 372.472 4.440 40 0 biogenic,in-vitro FIABHN COc1cccc(N[C@H]2COC3(C2)CCN(Cc2ccc(F)cc2)CC3)c1 ZINC000096221408 209137895 /nfs/dbraw/zinc/13/78/95/209137895.db2.gz JZLPMCQDUSRRMU-HXUWFJFHSA-N 0 3 370.468 4.070 40 0 FIABHN Cc1noc(C)c1CN1CC[C@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 ZINC000096110593 209115180 /nfs/dbraw/zinc/11/51/80/209115180.db2.gz MJUBNLIENVDITI-UNMCSNQZSA-N 0 3 354.494 4.151 40 0 FIABHN COc1ccccc1CN1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1)C2 ZINC000035289806 207114620 /nfs/dbraw/zinc/11/46/20/207114620.db2.gz AHJHZVDIVFVXOM-SEJPIABJSA-N 0 3 364.489 4.011 40 0 FIABHN O=C(Cc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000007849993 207210110 /nfs/dbraw/zinc/21/01/10/207210110.db2.gz BKOZXBZXPXVMLJ-UHFFFAOYSA-N 0 3 356.897 4.185 40 0 FIABHN CCOc1cc(CN[C@@H](CC)CO)ccc1OCc1ccc(Cl)cc1 ZINC000008326356 207229588 /nfs/dbraw/zinc/22/95/88/207229588.db2.gz HJRYDMAFUMZQJL-SFHVURJKSA-N 0 3 363.885 4.178 40 0 FIABHN FC(F)(F)c1cc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129284 207341130 /nfs/dbraw/zinc/34/11/30/207341130.db2.gz UFPZVKWQNYFYAZ-DLBZAZTESA-N 0 3 372.394 4.207 40 0 FIABHN C[C@H](Sc1ccccc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000030552017 208002130 /nfs/dbraw/zinc/00/21/30/208002130.db2.gz AEGJBBRWQKJHMS-SFHVURJKSA-N 0 3 368.546 4.470 40 0 FIABHN CC(C)Oc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030940190 208007503 /nfs/dbraw/zinc/00/75/03/208007503.db2.gz PDHKINVXKXBHCT-GOSISDBHSA-N 0 3 370.468 4.464 40 0 FIABHN CC(C)Oc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000030940363 208008798 /nfs/dbraw/zinc/00/87/98/208008798.db2.gz ZROKDNQMXSSAEB-GOSISDBHSA-N 0 3 370.468 4.464 40 0 FIABHN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853456 208207899 /nfs/dbraw/zinc/20/78/99/208207899.db2.gz PDBUOVZHEGJNBN-AWEZNQCLSA-N 0 3 364.823 4.469 40 0 FIABHN CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834297 208205199 /nfs/dbraw/zinc/20/51/99/208205199.db2.gz LTVHZMCCZHWTKY-KRWDZBQOSA-N 0 3 356.441 4.075 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCSCc3ccco3)cc2)CC1 ZINC000044786541 208318031 /nfs/dbraw/zinc/31/80/31/208318031.db2.gz SLGMWBPJCLGXCB-UHFFFAOYSA-N 0 3 372.534 4.175 40 0 FIABHN CC(C)c1ccc(CN2CC[C@]3(C2)CCCN(c2ncccn2)C3)cc1 ZINC000096216938 132222587 /nfs/dbraw/zinc/22/25/87/132222587.db2.gz GALIAHDVFOYOPC-QFIPXVFZSA-N 0 3 350.510 4.093 40 0 FIABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccc(OC)cc3)o2)cc1 ZINC000022076837 263384805 /nfs/dbraw/zinc/38/48/05/263384805.db2.gz KHIFSOAJAFSEEU-UHFFFAOYSA-N 0 3 365.429 4.074 40 0 FIABHN CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc2ccccc2n1 ZINC000022931815 568314507 /nfs/dbraw/zinc/31/45/07/568314507.db2.gz MDFJGFSMTZUUKP-QFIPXVFZSA-N 0 3 360.505 4.116 40 0 FIABHN Cc1ccc(C2(O)CCN(CCCC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000000538026 570438157 /nfs/dbraw/zinc/43/81/57/570438157.db2.gz AGAHNABIDCTLHW-UHFFFAOYSA-N 0 3 355.453 4.081 40 0 in-man FIABHN COc1ccc(-c2noc([C@@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000072369917 570546657 /nfs/dbraw/zinc/54/66/57/570546657.db2.gz GRTWBYWJLCFBMD-MRXNPFEDSA-N 0 3 369.852 4.388 40 0 FIABHN Cc1ccccc1OCCCN1CC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369842 570546673 /nfs/dbraw/zinc/54/66/73/570546673.db2.gz WPNXCZUFVJOKTE-LJQANCHMSA-N 0 3 363.461 4.303 40 0 FIABHN O=C(c1cccc(Cl)c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408607260 570578501 /nfs/dbraw/zinc/57/85/01/570578501.db2.gz KIAUHVOCZWDVKS-HXUWFJFHSA-N 0 3 354.881 4.003 40 0 FIABHN CCN(CC)CCOC(=O)[C@H](C1CCCCC1)C1(O)CCCCCC1 ZINC000004691806 570601187 /nfs/dbraw/zinc/60/11/87/570601187.db2.gz CMALZTOOSHBLNK-IBGZPJMESA-N 0 3 353.547 4.153 40 0 FIABHN S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccco1 ZINC000004857251 570671410 /nfs/dbraw/zinc/67/14/10/570671410.db2.gz IYUWCOMEBIJSFY-AYHJJNSGSA-N 0 3 355.507 4.152 40 0 FIABHN CCCOc1ccccc1CN1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012221199 570728944 /nfs/dbraw/zinc/72/89/44/570728944.db2.gz HLVDGTVOQCRRHJ-UHFFFAOYSA-N 0 3 350.466 4.126 40 0 FIABHN CCn1cc(CN2CCC(O)(c3ccccc3OC)CC2)c2ccccc21 ZINC000012344641 570738223 /nfs/dbraw/zinc/73/82/23/570738223.db2.gz WOOKRCHAWVUMGO-UHFFFAOYSA-N 0 3 364.489 4.153 40 0 FIABHN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000010433815 570803546 /nfs/dbraw/zinc/80/35/46/570803546.db2.gz LBFNREVJULAVTO-UHFFFAOYSA-N 0 3 366.461 4.020 40 0 FIABHN O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C2CCCCC2)CC1 ZINC000016399338 570855690 /nfs/dbraw/zinc/85/56/90/570855690.db2.gz IRGPFYIXXUWNFK-UHFFFAOYSA-N 0 3 355.404 4.188 40 0 FIABHN Fc1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)cc1 ZINC000016399586 570855823 /nfs/dbraw/zinc/85/58/23/570855823.db2.gz JIGXWNBXFDBHPQ-UHFFFAOYSA-N 0 3 365.404 4.423 40 0 FIABHN c1ccc2nc(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)ccc2c1 ZINC000019376322 570888737 /nfs/dbraw/zinc/88/87/37/570888737.db2.gz IIWIGLNCIBOSCD-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000019577465 570894819 /nfs/dbraw/zinc/89/48/19/570894819.db2.gz ZGEDEYAKWBSJIV-GOSISDBHSA-N 0 3 351.498 4.337 40 0 FIABHN CN(C(=O)[C@H]1CC=CCC1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590843 570895625 /nfs/dbraw/zinc/89/56/25/570895625.db2.gz WEUQVRVNUBVQTQ-QRGRWYIGSA-N 0 3 368.521 4.007 40 0 FIABHN Cc1cccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c1C ZINC000225230628 571023184 /nfs/dbraw/zinc/02/31/84/571023184.db2.gz WHDXYGNBBMCCAA-UHFFFAOYSA-N 0 3 359.564 4.316 40 0 FIABHN CCc1ccccc1NC(=S)NC1CCN(Cc2cccs2)CC1 ZINC000225231415 571023219 /nfs/dbraw/zinc/02/32/19/571023219.db2.gz RQEJVZUMEPAWMX-UHFFFAOYSA-N 0 3 359.564 4.262 40 0 FIABHN c1ccc(CN2CCC3(CC2)OCc2nc(Nc4ccccc4)ncc23)cc1 ZINC000306142561 571042641 /nfs/dbraw/zinc/04/26/41/571042641.db2.gz XDIPNBMBORRDHM-UHFFFAOYSA-N 0 3 372.472 4.242 40 0 FIABHN COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000225575096 571046700 /nfs/dbraw/zinc/04/67/00/571046700.db2.gz HSTGKOZHBGTYMX-GOSISDBHSA-N 0 3 366.505 4.418 40 0 FIABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225714775 571058404 /nfs/dbraw/zinc/05/84/04/571058404.db2.gz DKEJASXHTQGJHX-PGRDOPGGSA-N 0 3 374.525 4.085 40 0 FIABHN CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225730181 571060043 /nfs/dbraw/zinc/06/00/43/571060043.db2.gz IYXYTYBPTCGSQO-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000225903708 571078868 /nfs/dbraw/zinc/07/88/68/571078868.db2.gz XHONWOHCSGNDDD-GOSISDBHSA-N 0 3 374.887 4.350 40 0 FIABHN COc1cccc(Cc2cnc([C@@H]3CCN(Cc4scnc4C)C3)o2)c1 ZINC000257324002 571161893 /nfs/dbraw/zinc/16/18/93/571161893.db2.gz WMTOMTRORHELOB-MRXNPFEDSA-N 0 3 369.490 4.028 40 0 FIABHN FC(F)(F)c1cccc(-c2noc([C@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000072369958 571185160 /nfs/dbraw/zinc/18/51/60/571185160.db2.gz YEEURVYXFMZFAT-HNNXBMFYSA-N 0 3 374.366 4.140 40 0 FIABHN Cc1ccc(CN2CCC[C@]23CCCN(C(=O)Nc2ccccc2)C3)o1 ZINC000096214629 209135558 /nfs/dbraw/zinc/13/55/58/209135558.db2.gz SYHLQYOCMFEGEF-NRFANRHFSA-N 0 3 353.466 4.251 40 0 FIABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OC ZINC000007538075 207197546 /nfs/dbraw/zinc/19/75/46/207197546.db2.gz XCGVFKDNCHXXBQ-UHFFFAOYSA-N 0 3 364.283 4.455 40 0 FIABHN CCOc1c(Br)cc(CNCc2ccccc2)cc1OC ZINC000008253358 207226412 /nfs/dbraw/zinc/22/64/12/207226412.db2.gz XRSAPGOZVIBGEO-UHFFFAOYSA-N 0 3 350.256 4.146 40 0 FIABHN COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000008497963 207235696 /nfs/dbraw/zinc/23/56/96/207235696.db2.gz FEPWRAFNAHUJLC-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1cccc(Br)c1 ZINC000012474152 207383039 /nfs/dbraw/zinc/38/30/39/207383039.db2.gz PDIXGTGFDXWHMR-IHRRRGAJSA-N 0 3 354.288 4.257 40 0 FIABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc21 ZINC000030946875 208007852 /nfs/dbraw/zinc/00/78/52/208007852.db2.gz KDQXRBIBHZYIGR-SFHVURJKSA-N 0 3 354.881 4.141 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccc3ncccc23)o1 ZINC000036740255 208172418 /nfs/dbraw/zinc/17/24/18/208172418.db2.gz XJFKVCXMFNZYII-UHFFFAOYSA-N 0 3 360.461 4.425 40 0 FIABHN CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038834352 208204984 /nfs/dbraw/zinc/20/49/84/208204984.db2.gz MIKSYOYJGICRDN-QGZVFWFLSA-N 0 3 356.441 4.075 40 0 FIABHN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000044912260 208323305 /nfs/dbraw/zinc/32/33/05/208323305.db2.gz IBSFESXMKANTFX-IBGZPJMESA-N 0 3 356.897 4.177 40 0 FIABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)o1 ZINC000096052704 209102528 /nfs/dbraw/zinc/10/25/28/209102528.db2.gz YQJLTXKAGTTXFV-GOSISDBHSA-N 0 3 366.505 4.087 40 0 FIABHN C[C@@H](NCc1ccc(-c2ccc([C@H](C)O)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022108688 263384737 /nfs/dbraw/zinc/38/47/37/263384737.db2.gz VYSXKPWWGYKNEV-ZMPRRUGASA-N 0 3 351.446 4.212 40 0 FIABHN CCOc1cccc(CNCCN(CC)CC)c1OCc1ccccc1 ZINC000022076901 263385484 /nfs/dbraw/zinc/38/54/84/263385484.db2.gz GEWCRQSFOBSRJH-UHFFFAOYSA-N 0 3 356.510 4.096 40 0 FIABHN N=C1N[C@H]([C@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000059500962 263421524 /nfs/dbraw/zinc/42/15/24/263421524.db2.gz YERVHPOPRCNVGW-VSKRKVRLSA-N 0 3 374.509 4.482 40 0 FIABHN O=C(c1ccc(Cl)cc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408607319 570578443 /nfs/dbraw/zinc/57/84/43/570578443.db2.gz KUQVQQWXJFKEDN-HXUWFJFHSA-N 0 3 354.881 4.003 40 0 FIABHN O=C(c1cccc(Cl)c1)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408603057 570579939 /nfs/dbraw/zinc/57/99/39/570579939.db2.gz ALPOQWRMWANZGG-UHFFFAOYSA-N 0 3 354.881 4.003 40 0 FIABHN Fc1ccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)cc1 ZINC000004888043 570672605 /nfs/dbraw/zinc/67/26/05/570672605.db2.gz ZNIGMOYLOKPQJM-AYHJJNSGSA-N 0 3 373.497 4.291 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccccc1F ZINC000004888076 570672807 /nfs/dbraw/zinc/67/28/07/570672807.db2.gz YPDHCYGCTJHXTM-MQVJKMGUSA-N 0 3 358.482 4.203 40 0 FIABHN CCOc1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000009062589 570797255 /nfs/dbraw/zinc/79/72/55/570797255.db2.gz SHVGYGQMHCAGKO-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN COc1ccc(CCN(Cc2cccs2)Cc2ccncc2)cc1OC ZINC000013989469 570840641 /nfs/dbraw/zinc/84/06/41/570840641.db2.gz KHPJWQWUGNHCIJ-UHFFFAOYSA-N 0 3 368.502 4.405 40 0 FIABHN CCCN1CCC[C@](O)(c2nc(C)c(COc3ccccc3)s2)CC1 ZINC000019705249 570858052 /nfs/dbraw/zinc/85/80/52/570858052.db2.gz IUJBFXBXCAPILP-HXUWFJFHSA-N 0 3 360.523 4.114 40 0 FIABHN CC(=O)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019019500 570879376 /nfs/dbraw/zinc/87/93/76/570879376.db2.gz CKKPZRFNKUPLPH-UFYCRDLUSA-N 0 3 374.937 4.238 40 0 FIABHN COc1ccc([C@H]2CCCN2C[C@@H](O)c2cc(C)ccc2C)cc1OC ZINC000019132050 570880782 /nfs/dbraw/zinc/88/07/82/570880782.db2.gz QFYQFRXUOSIZJU-WOJBJXKFSA-N 0 3 355.478 4.191 40 0 FIABHN CCOc1ccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)cc1 ZINC000019533208 570892186 /nfs/dbraw/zinc/89/21/86/570892186.db2.gz GWIAMCJGLDUMGA-UHFFFAOYSA-N 0 3 350.466 4.045 40 0 FIABHN COc1ccc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000019557229 570892793 /nfs/dbraw/zinc/89/27/93/570892793.db2.gz PIBRAUCGCLZXLE-ZWKOTPCHSA-N 0 3 369.415 4.080 40 0 FIABHN CN(C)CCNCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000022075815 570939362 /nfs/dbraw/zinc/93/93/62/570939362.db2.gz BPHVDJCLEMJISP-UHFFFAOYSA-N 0 3 353.293 4.224 40 0 FIABHN CN(C)CCN(Cc1ccc(-c2ccc(F)cc2)o1)Cc1ccncc1 ZINC000022913816 570952599 /nfs/dbraw/zinc/95/25/99/570952599.db2.gz FRUYPFVBWNYKKV-UHFFFAOYSA-N 0 3 353.441 4.045 40 0 FIABHN CC(C)(Cc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225363976 571030757 /nfs/dbraw/zinc/03/07/57/571030757.db2.gz JFKFLHHFEJAJQQ-FQEVSTJZSA-N 0 3 368.496 4.175 40 0 FIABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)cc1 ZINC000306139677 571041577 /nfs/dbraw/zinc/04/15/77/571041577.db2.gz TXKJXCNCDKFHCH-OAQYLSRUSA-N 0 3 365.502 4.095 40 0 FIABHN CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225698863 571056896 /nfs/dbraw/zinc/05/68/96/571056896.db2.gz CKUAEIIIYKORFN-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044852957 571103189 /nfs/dbraw/zinc/10/31/89/571103189.db2.gz TXLCCXYKXUHRTN-LJQANCHMSA-N 0 3 366.505 4.178 40 0 FIABHN Fc1ccccc1Cc1cnc([C@@H]2CCCN(Cc3ccccn3)C2)o1 ZINC000257207107 571149725 /nfs/dbraw/zinc/14/97/25/571149725.db2.gz BGJLUTUGNZSTSR-QGZVFWFLSA-N 0 3 351.425 4.179 40 0 FIABHN O[C@@H]1C[C@H]2CN(Cc3cc(Cl)ccc3OCc3ccccc3)C[C@H]2C1 ZINC000257261486 571155379 /nfs/dbraw/zinc/15/53/79/571155379.db2.gz LHNMYLMKZCEEJX-YRWFTTLQSA-N 0 3 357.881 4.122 40 0 FIABHN c1ccc(CCC[N@@H+]2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377922 571186889 /nfs/dbraw/zinc/18/68/89/571186889.db2.gz YVTAZAVZNWJBQM-HXUWFJFHSA-N 0 3 374.492 4.170 40 0 FIABHN c1ccc(CCC[N@H+]2CCCC[C@@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377922 571186892 /nfs/dbraw/zinc/18/68/92/571186892.db2.gz YVTAZAVZNWJBQM-HXUWFJFHSA-N 0 3 374.492 4.170 40 0 FIABHN CN1CCC2(CC1)CN(Cc1ccc(Cl)cc1)Cc1ccccc1O2 ZINC000072394171 571190273 /nfs/dbraw/zinc/19/02/73/571190273.db2.gz AYDNCGDLLFDVBH-UHFFFAOYSA-N 0 3 356.897 4.199 40 0 FIABHN CN1CCC2(CC1)CN(Cc1cccc(Cl)c1)Cc1ccccc1O2 ZINC000072394173 571190392 /nfs/dbraw/zinc/19/03/92/571190392.db2.gz HQCSVKOPAULEKW-UHFFFAOYSA-N 0 3 356.897 4.199 40 0 FIABHN Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccsc4)C2)OC3)c1 ZINC000306123335 571212805 /nfs/dbraw/zinc/21/28/05/571212805.db2.gz AKLYWWGRPBWFGZ-NRFANRHFSA-N 0 3 365.502 4.095 40 0 FIABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306125525 571213249 /nfs/dbraw/zinc/21/32/49/571213249.db2.gz CTFTUZIRNSJHEF-GOSISDBHSA-N 0 3 362.477 4.137 40 0 FIABHN CCN(C(=O)C1CCCCC1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711790 571304651 /nfs/dbraw/zinc/30/46/51/571304651.db2.gz KXILHVIIEOXEBH-FCHUYYIVSA-N 0 3 372.553 4.397 40 0 FIABHN COc1cccc2cc(CN3CC[C@@]4(C)[C@@H]3CCCCCN4C(C)=O)oc21 ZINC000019713373 571304885 /nfs/dbraw/zinc/30/48/85/571304885.db2.gz LWRMMDTUAWNVAB-UNMCSNQZSA-N 0 3 370.493 4.197 40 0 FIABHN C[C@@H](NC(=O)c1ncccc1-c1cccc(CN(C)C)c1)c1ccccc1 ZINC000257265179 209981722 /nfs/dbraw/zinc/98/17/22/209981722.db2.gz LXQDWTVGPAWYGR-QGZVFWFLSA-N 0 3 359.473 4.301 40 0 FIABHN O=C(Nc1ccccc1)N1CCC[C@@]2(CCCN2Cc2ccccc2F)C1 ZINC000096214637 209135687 /nfs/dbraw/zinc/13/56/87/209135687.db2.gz OMPCOLVLHXTPRT-JOCHJYFZSA-N 0 3 367.468 4.488 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@@H]3c2ccccc2)o1 ZINC000096100269 209112257 /nfs/dbraw/zinc/11/22/57/209112257.db2.gz IEMXRDLWGYGIGF-OAQYLSRUSA-N 0 3 364.489 4.164 40 0 FIABHN COc1ccccc1/C=C/C(=O)NCc1ccccc1CN1CCCCC1 ZINC000007850027 207210637 /nfs/dbraw/zinc/21/06/37/207210637.db2.gz REFUXEGOGCTWCH-BUHFOSPRSA-N 0 3 364.489 4.011 40 0 FIABHN COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OC ZINC000008535300 207237024 /nfs/dbraw/zinc/23/70/24/207237024.db2.gz BYWQEZSARHEXQS-GFCCVEGCSA-N 0 3 350.256 4.317 40 0 FIABHN O=C(c1ccc(CN2CCCC2)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000010691118 207305217 /nfs/dbraw/zinc/30/52/17/207305217.db2.gz XDIUZGGSGYWMGS-UHFFFAOYSA-N 0 3 362.517 4.377 40 0 FIABHN FC(F)c1cc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129146 207341029 /nfs/dbraw/zinc/34/10/29/207341029.db2.gz YRJMYAINSIKJCE-DLBZAZTESA-N 0 3 354.404 4.126 40 0 FIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1sccc1C ZINC000012147000 207343611 /nfs/dbraw/zinc/34/36/11/207343611.db2.gz AQZCJTUEGQMIPZ-UHFFFAOYSA-N 0 3 355.507 4.354 40 0 FIABHN CCOCc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OC ZINC000012292827 207353473 /nfs/dbraw/zinc/35/34/73/207353473.db2.gz IRZRZLIXVBHBND-UHFFFAOYSA-N 0 3 369.505 4.024 40 0 FIABHN CCOCc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OC ZINC000012292825 207354046 /nfs/dbraw/zinc/35/40/46/207354046.db2.gz FXBJXSHPNJKGEA-UHFFFAOYSA-N 0 3 369.505 4.024 40 0 FIABHN Cn1cc([C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)c2ccccc21 ZINC000012330342 207363048 /nfs/dbraw/zinc/36/30/48/207363048.db2.gz JCXCNWJVSOOQRF-QFIPXVFZSA-N 0 3 350.437 4.140 40 0 FIABHN C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943779 208007691 /nfs/dbraw/zinc/00/76/91/208007691.db2.gz OZLOTUGVWUREQQ-GHTZIAJQSA-N 0 3 368.496 4.175 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)[C@H](c2ccccc2)CC(=O)N3C)s1 ZINC000096061436 209104616 /nfs/dbraw/zinc/10/46/16/209104616.db2.gz INCYDGYYPIGMQW-IBGZPJMESA-N 0 3 354.519 4.037 40 0 FIABHN Cc1cccc(CN2C(=O)CCC23CCN(Cc2cccs2)CC3)c1 ZINC000096049432 209103266 /nfs/dbraw/zinc/10/32/66/209103266.db2.gz IHXHZXZPLVWEMR-UHFFFAOYSA-N 0 3 354.519 4.214 40 0 FIABHN Cn1cncc1CN[C@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 ZINC000096241507 132224059 /nfs/dbraw/zinc/22/40/59/132224059.db2.gz GHIXRQLLNGPFOV-QHCPKHFHSA-N 0 3 372.516 4.193 40 0 FIABHN Cn1cncc1CN[C@@H]1CC2(CCN(c3ccccc3)CC2)c2ccccc21 ZINC000096241506 132224085 /nfs/dbraw/zinc/22/40/85/132224085.db2.gz GHIXRQLLNGPFOV-HSZRJFAPSA-N 0 3 372.516 4.193 40 0 FIABHN O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039748895 263399151 /nfs/dbraw/zinc/39/91/51/263399151.db2.gz MDULQCXFBYEFGP-UHFFFAOYSA-N 0 3 360.860 4.008 40 0 FIABHN Fc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000057773936 568299282 /nfs/dbraw/zinc/29/92/82/568299282.db2.gz IUIAJPWIUWOVKB-DLBZAZTESA-N 0 3 357.379 4.210 40 0 FIABHN C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CCN1Cc1ccc(F)cc1 ZINC000057776467 568299474 /nfs/dbraw/zinc/29/94/74/568299474.db2.gz WLXOZEARQHOEBW-IERDGZPVSA-N 0 3 370.443 4.048 40 0 FIABHN CC(C)(C)[C@H]1CCc2c(sc3nc(C4CC4)nc(N4CCNCC4)c23)C1 ZINC000013998646 570502798 /nfs/dbraw/zinc/50/27/98/570502798.db2.gz BXONUORTYBNVIJ-AWEZNQCLSA-N 0 3 370.566 4.129 40 0 FIABHN CCN(CCO)[C@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000001665687 570504181 /nfs/dbraw/zinc/50/41/81/570504181.db2.gz FCPMTNGZZNNVQK-QZTJIDSGSA-N 0 3 354.277 4.082 40 0 FIABHN O=C(N[C@@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932973 570539019 /nfs/dbraw/zinc/53/90/19/570539019.db2.gz CABHMTIXRDPSCZ-SIKLNZKXSA-N 0 3 366.480 4.232 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1cccc(F)c1 ZINC000004888093 570672535 /nfs/dbraw/zinc/67/25/35/570672535.db2.gz SXKFSURZHWVYKU-AYHJJNSGSA-N 0 3 358.482 4.203 40 0 FIABHN O=C(C1CCCCC1)N1CCCc2cc([C@@H](O)CN3CCCCC3)ccc21 ZINC000012291532 570732355 /nfs/dbraw/zinc/73/23/55/570732355.db2.gz RKZKJGOZRZTSJS-QFIPXVFZSA-N 0 3 370.537 4.065 40 0 FIABHN COc1ccccc1/C=C/CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012293097 570732787 /nfs/dbraw/zinc/73/27/87/570732787.db2.gz DEANCGHOCFBBKD-CTXCVUGRSA-N 0 3 367.464 4.362 40 0 FIABHN CCOc1ccccc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000009063000 570797098 /nfs/dbraw/zinc/79/70/98/570797098.db2.gz RMYRMWXQWNFGMC-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN Cc1ncsc1-c1nnc(C2CCN(Cc3cccc(C)c3)CC2)o1 ZINC000019234953 570882967 /nfs/dbraw/zinc/88/29/67/570882967.db2.gz HXTJVZMVWGAUFC-UHFFFAOYSA-N 0 3 354.479 4.190 40 0 FIABHN Cc1cccc(CN2CCCC[C@H]3CN(C(=O)c4cccs4)C[C@H]32)c1 ZINC000019235013 570883113 /nfs/dbraw/zinc/88/31/13/570883113.db2.gz QRTHTFDCPDYMPI-RBUKOAKNSA-N 0 3 354.519 4.183 40 0 FIABHN Cc1cnccc1CN1CCC(c2nc3ccc(F)cc3cc2N)CC1 ZINC000019239504 570883732 /nfs/dbraw/zinc/88/37/32/570883732.db2.gz QSJBZTZFIDBVES-UHFFFAOYSA-N 0 3 350.441 4.039 40 0 FIABHN COc1ccc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000019551789 570892547 /nfs/dbraw/zinc/89/25/47/570892547.db2.gz IARBSNCKUVAIDM-RBUKOAKNSA-N 0 3 369.415 4.080 40 0 FIABHN Cc1nccn1C[C@H]1CCCN(Cc2ccc3cccc(Cl)c3n2)C1 ZINC000019659005 570897348 /nfs/dbraw/zinc/89/73/48/570897348.db2.gz IOOQUEHIILYDRO-INIZCTEOSA-N 0 3 354.885 4.305 40 0 FIABHN CN(C)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000022075803 570938952 /nfs/dbraw/zinc/93/89/52/570938952.db2.gz YMVWVOOMGFXQJY-UHFFFAOYSA-N 0 3 353.293 4.224 40 0 FIABHN CN(C)CCNCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000022075918 570939192 /nfs/dbraw/zinc/93/91/92/570939192.db2.gz UEMSAQAIJHDFRI-UHFFFAOYSA-N 0 3 352.453 4.209 40 0 FIABHN O=C(NCCCN1CCc2ccccc2C1)C1(c2ccccc2)CCCC1 ZINC000224289371 570983485 /nfs/dbraw/zinc/98/34/85/570983485.db2.gz QVMDQLXKRJCQLY-UHFFFAOYSA-N 0 3 362.517 4.063 40 0 FIABHN C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772010 571024162 /nfs/dbraw/zinc/02/41/62/571024162.db2.gz VSWUXNFZORVYRY-GOSISDBHSA-N 0 3 368.496 4.175 40 0 FIABHN COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000028221081 571027885 /nfs/dbraw/zinc/02/78/85/571027885.db2.gz QHRXSLQARVPYFM-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220811 571027996 /nfs/dbraw/zinc/02/79/96/571027996.db2.gz LFGMAQSGUKMIMQ-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN Cc1ccc(CN2CC[C@@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 ZINC000306136306 571039783 /nfs/dbraw/zinc/03/97/83/571039783.db2.gz PPOTZHSXJKDTSL-LJQANCHMSA-N 0 3 371.531 4.156 40 0 FIABHN Fc1cccc(-c2ccc3nc([C@@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306142242 571042153 /nfs/dbraw/zinc/04/21/53/571042153.db2.gz WUGLLGQBWDAHEM-QGZVFWFLSA-N 0 3 350.441 4.267 40 0 FIABHN CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN(C)C)cc1 ZINC000225749421 571061781 /nfs/dbraw/zinc/06/17/81/571061781.db2.gz WLPVDILFRQIEJN-NRFANRHFSA-N 0 3 364.530 4.331 40 0 FIABHN CC(C)c1ccc([O-])c(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000257250370 571154204 /nfs/dbraw/zinc/15/42/04/571154204.db2.gz JMGUCCVHNIZNOK-UHFFFAOYSA-N 0 3 366.505 4.432 40 0 FIABHN COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348954 571180625 /nfs/dbraw/zinc/18/06/25/571180625.db2.gz MHZQGIQQICLSKY-FQEVSTJZSA-N 0 3 373.500 4.456 40 0 FIABHN Cc1cccc(OCCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)c1 ZINC000072369850 571185102 /nfs/dbraw/zinc/18/51/02/571185102.db2.gz MTUBUNAUKMRPKD-LJQANCHMSA-N 0 3 363.461 4.303 40 0 FIABHN COc1cc(C)c(CN2CCC([C@H]3CCCCN(C)C3=O)CC2)c(C)c1C ZINC000072372024 571185460 /nfs/dbraw/zinc/18/54/60/571185460.db2.gz NIXFRSWNPYOUKK-HXUWFJFHSA-N 0 3 372.553 4.091 40 0 FIABHN COc1cc(C)c(CN2CCC([C@@H]3CCCCN(C)C3=O)CC2)c(C)c1C ZINC000072372023 571185467 /nfs/dbraw/zinc/18/54/67/571185467.db2.gz NIXFRSWNPYOUKK-FQEVSTJZSA-N 0 3 372.553 4.091 40 0 FIABHN COc1ccc([C@@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2c2cc[nH]n2)cc1 ZINC000072395164 571190422 /nfs/dbraw/zinc/19/04/22/571190422.db2.gz HJGRDBHPWWKQJS-ZWKOTPCHSA-N 0 3 369.415 4.080 40 0 FIABHN Fc1ccc(CN2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306131147 571213901 /nfs/dbraw/zinc/21/39/01/571213901.db2.gz JXUSTSWZHHXBMD-FXAWDEMLSA-N 0 3 360.436 4.131 40 0 FIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1C ZINC000224096125 222806839 /nfs/dbraw/zinc/80/68/39/222806839.db2.gz BEOHYMDULICQSA-UHFFFAOYSA-N 0 3 366.505 4.098 40 0 FIABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019559012 211232575 /nfs/dbraw/zinc/23/25/75/211232575.db2.gz IWPDXKSWYBGYCM-ZDUSSCGKSA-N 0 3 369.852 4.245 40 0 FIABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc3cnccc3[nH]2)C1 ZINC000019559012 211232579 /nfs/dbraw/zinc/23/25/79/211232579.db2.gz IWPDXKSWYBGYCM-ZDUSSCGKSA-N 0 3 369.852 4.245 40 0 FIABHN O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccccc3)C2)no1 ZINC000019371971 211219410 /nfs/dbraw/zinc/21/94/10/211219410.db2.gz YOQUVFHGMHDYHY-GOSISDBHSA-N 0 3 367.493 4.117 40 0 FIABHN Cc1ccc(C2(O)CCN(Cc3cn(C)c4ccc(F)cc34)CC2)cc1 ZINC000019208607 211206177 /nfs/dbraw/zinc/20/61/77/211206177.db2.gz BESDUMKPMJHYBD-UHFFFAOYSA-N 0 3 352.453 4.109 40 0 FIABHN Cc1cnc2[nH]c(C(F)(F)F)c(CN(C)CCOc3ccccc3)c2c1 ZINC000019124946 211205044 /nfs/dbraw/zinc/20/50/44/211205044.db2.gz UPKGDQWRXIQRDR-UHFFFAOYSA-N 0 3 363.383 4.401 40 0 FIABHN COc1ccc(CN2CC[C@H](c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 ZINC000049169391 221021187 /nfs/dbraw/zinc/02/11/87/221021187.db2.gz VPYZMFPGHVZNOR-INIZCTEOSA-N 0 3 369.852 4.388 40 0 biogenic,in-vitro FIABHN Cc1ccc(CN2CCC3(CCC(=O)N3Cc3ccccc3)CC2)s1 ZINC000096049417 222001288 /nfs/dbraw/zinc/00/12/88/222001288.db2.gz RUUMKSHYSIUGHW-UHFFFAOYSA-N 0 3 354.519 4.214 40 0 FIABHN Cc1cccc(CN2C(=O)CCC23CCN(Cc2ccsc2)CC3)c1 ZINC000096049433 222001520 /nfs/dbraw/zinc/00/15/20/222001520.db2.gz WVUCQSIRANDQNF-UHFFFAOYSA-N 0 3 354.519 4.214 40 0 FIABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000100750225 222251758 /nfs/dbraw/zinc/25/17/58/222251758.db2.gz UTADVVGQSDLMRJ-JQVVWYNYSA-N 0 3 357.542 4.187 40 0 FIABHN CCCc1ccc(OCc2ccccc2)c(CN2C[C@@H]3C[C@@H](O)C[C@@H]3C2)c1 ZINC000257248341 528625936 /nfs/dbraw/zinc/62/59/36/528625936.db2.gz JDEUKQCQOYLIQR-SGRGSNTQSA-N 0 3 365.517 4.421 40 0 FIABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1cccc(Cl)c1 ZINC000585289020 570495067 /nfs/dbraw/zinc/49/50/67/570495067.db2.gz MKXDNJDNMGIEGL-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN COc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752094 570525132 /nfs/dbraw/zinc/52/51/32/570525132.db2.gz IUKBSJKDVDQOSG-PKTZIBPZSA-N 0 3 373.537 4.273 40 0 FIABHN Cc1ccc(OCC2(O)CCN(Cc3ccc4[nH]ccc4c3)CC2)c(C)c1 ZINC000257278290 570627146 /nfs/dbraw/zinc/62/71/46/570627146.db2.gz OBQUHPVNXGINAM-UHFFFAOYSA-N 0 3 364.489 4.191 40 0 FIABHN CC(C)(CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000006883110 570656054 /nfs/dbraw/zinc/65/60/54/570656054.db2.gz UGTNCMJVQIWZKU-UHFFFAOYSA-N 0 3 353.437 4.418 40 0 FIABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 ZINC000004888008 570672720 /nfs/dbraw/zinc/67/27/20/570672720.db2.gz DWZJFQZNAPEGLD-FRIKZZABSA-N 0 3 366.480 4.450 40 0 FIABHN Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@@H](C1)N2Cc1ccco1 ZINC000008685978 570684874 /nfs/dbraw/zinc/68/48/74/570684874.db2.gz FRBYBRWFILVMSI-ALOPSCKCSA-N 0 3 355.507 4.070 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3cc(C)ccc32)CC1 ZINC000012330704 570737434 /nfs/dbraw/zinc/73/74/34/570737434.db2.gz YIPLIFFPCCHMLR-UHFFFAOYSA-N 0 3 364.489 4.277 40 0 FIABHN COCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000008469138 570795900 /nfs/dbraw/zinc/79/59/00/570795900.db2.gz CGDXVDHLBIFXNX-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 ZINC000036697608 570881242 /nfs/dbraw/zinc/88/12/42/570881242.db2.gz RUPTYKLQBBRNLK-NZDACYECSA-N 0 3 352.478 4.055 40 0 FIABHN CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000224493038 570991440 /nfs/dbraw/zinc/99/14/40/570991440.db2.gz PZZGOUAYGLZHIJ-UHFFFAOYSA-N 0 3 364.533 4.340 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)c1 ZINC000224528854 570992398 /nfs/dbraw/zinc/99/23/98/570992398.db2.gz WDDFGBUICYWDOO-IBGZPJMESA-N 0 3 350.506 4.127 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)cc1 ZINC000224937577 571006473 /nfs/dbraw/zinc/00/64/73/571006473.db2.gz POCWGZRONXSEEU-UHFFFAOYSA-N 0 3 364.533 4.345 40 0 FIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1c[nH]c2ccccc12 ZINC000036740317 571081476 /nfs/dbraw/zinc/08/14/76/571081476.db2.gz KXTIYBUTUZCHDG-UHFFFAOYSA-N 0 3 374.488 4.466 40 0 FIABHN COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038849374 571087894 /nfs/dbraw/zinc/08/78/94/571087894.db2.gz SHFKTSJJUPFLKY-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN CCc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000260841100 571124390 /nfs/dbraw/zinc/12/43/90/571124390.db2.gz JICMJDSKRPXHJL-UTKZUKDTSA-N 0 3 368.496 4.478 40 0 FIABHN COc1ccccc1Cc1cccc(C2CCN(Cc3ccccn3)CC2)n1 ZINC000072348952 571180504 /nfs/dbraw/zinc/18/05/04/571180504.db2.gz ZABGSBJTMCPRRE-UHFFFAOYSA-N 0 3 373.500 4.456 40 0 FIABHN FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)c1 ZINC000072369959 571185001 /nfs/dbraw/zinc/18/50/01/571185001.db2.gz ATNIBGSMFCLVLI-OAHLLOKOSA-N 0 3 374.366 4.140 40 0 FIABHN Cc1cccc(Nc2cncc([C@H]3CCCN3CCc3ccccc3)n2)n1 ZINC000072376236 571186090 /nfs/dbraw/zinc/18/60/90/571186090.db2.gz LYYIDLHWLJGYPX-HXUWFJFHSA-N 0 3 359.477 4.303 40 0 FIABHN c1ccc(CCC[N@@H+]2CCCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377923 571186948 /nfs/dbraw/zinc/18/69/48/571186948.db2.gz YVTAZAVZNWJBQM-FQEVSTJZSA-N 0 3 374.492 4.170 40 0 FIABHN c1ccc(CCC[N@H+]2CCCC[C@H]2c2ccnc([N-]c3cnccn3)n2)cc1 ZINC000072377923 571186949 /nfs/dbraw/zinc/18/69/49/571186949.db2.gz YVTAZAVZNWJBQM-FQEVSTJZSA-N 0 3 374.492 4.170 40 0 FIABHN CCc1nccn1-c1cccc([C@H]2CCCN2Cc2ccc(OC)cc2)n1 ZINC000072379116 571187636 /nfs/dbraw/zinc/18/76/36/571187636.db2.gz FCOQPLNYJXWQSB-HXUWFJFHSA-N 0 3 362.477 4.175 40 0 FIABHN C[C@H](CO)N(Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393646 571190282 /nfs/dbraw/zinc/19/02/82/571190282.db2.gz VBVGXFJXAIJNIO-MRXNPFEDSA-N 0 3 351.494 4.243 40 0 FIABHN c1csc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)c1 ZINC000585105237 571224374 /nfs/dbraw/zinc/22/43/74/571224374.db2.gz RGPQAIKCCSFPHQ-IBGZPJMESA-N 0 3 372.534 4.121 40 0 FIABHN COc1ccc([C@@H]2CCCN2C[C@H](O)c2cc(C)ccc2C)cc1OC ZINC000247879345 571290936 /nfs/dbraw/zinc/29/09/36/571290936.db2.gz QFYQFRXUOSIZJU-PMACEKPBSA-N 0 3 355.478 4.191 40 0 FIABHN N=C1N[C@H]([C@@H](O)c2ccccc2)[C@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000253578320 571291756 /nfs/dbraw/zinc/29/17/56/571291756.db2.gz YERVHPOPRCNVGW-FSSWDIPSSA-N 0 3 374.509 4.482 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCCCc3cccc(C)c3)CC2)cc1 ZINC000009062612 571302397 /nfs/dbraw/zinc/30/23/97/571302397.db2.gz HJBPHGMBAHJKOO-UHFFFAOYSA-N 0 3 364.533 4.264 40 0 FIABHN Clc1ccc(OCc2cc([C@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 ZINC000019695887 571304376 /nfs/dbraw/zinc/30/43/76/571304376.db2.gz NDFAIIBAQYLVSJ-INIZCTEOSA-N 0 3 368.868 4.027 40 0 FIABHN C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943784 571305401 /nfs/dbraw/zinc/30/54/01/571305401.db2.gz OZLOTUGVWUREQQ-RXVVDRJESA-N 0 3 368.496 4.175 40 0 FIABHN Cc1ccc([C@@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534179 571331478 /nfs/dbraw/zinc/33/14/78/571331478.db2.gz JZJLEZPLAWROAV-LJQANCHMSA-N 0 3 350.466 4.038 40 0 FIABHN Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4ccsc4)C2)OC3)c1 ZINC000306123336 210049665 /nfs/dbraw/zinc/04/96/65/210049665.db2.gz AKLYWWGRPBWFGZ-OAQYLSRUSA-N 0 3 365.502 4.095 40 0 FIABHN CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225692597 222860801 /nfs/dbraw/zinc/86/08/01/222860801.db2.gz RPSYOHMVDBTJSF-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN CCn1cc(CN2CCC(n3nc(C)cc3C)CC2)c2cc(OC)ccc21 ZINC000019659278 211243720 /nfs/dbraw/zinc/24/37/20/211243720.db2.gz OWSCLSOTBCGXEW-UHFFFAOYSA-N 0 3 366.509 4.320 40 0 FIABHN Cc1cc(C)n(C2CCN(Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)n1 ZINC000019656681 211242875 /nfs/dbraw/zinc/24/28/75/211242875.db2.gz KNGBAZSKJJNOBA-UHFFFAOYSA-N 0 3 369.900 4.381 40 0 FIABHN c1ccc2c(CN3CCC(c4nnc(-c5ccncc5)o4)CC3)ccnc2c1 ZINC000019376072 211222070 /nfs/dbraw/zinc/22/20/70/211222070.db2.gz ANJCWOCINIDZPZ-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019559009 211232840 /nfs/dbraw/zinc/23/28/40/211232840.db2.gz IWPDXKSWYBGYCM-CYBMUJFWSA-N 0 3 369.852 4.245 40 0 FIABHN COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1 ZINC000019559009 211232844 /nfs/dbraw/zinc/23/28/44/211232844.db2.gz IWPDXKSWYBGYCM-CYBMUJFWSA-N 0 3 369.852 4.245 40 0 FIABHN CCOc1ccc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1OC ZINC000019533810 211230364 /nfs/dbraw/zinc/23/03/64/211230364.db2.gz SRQWDDMZRFNKAK-GOSISDBHSA-N 0 3 365.477 4.350 40 0 FIABHN CCCOc1cc2c(cc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1)OCO2 ZINC000019503858 211226239 /nfs/dbraw/zinc/22/62/39/211226239.db2.gz ZPLJRUOXNWSVIA-MAUKXSAKSA-N 0 3 372.465 4.002 40 0 FIABHN FC(F)(F)c1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019361742 211217808 /nfs/dbraw/zinc/21/78/08/211217808.db2.gz QTWQUBHVVOFXOE-RYRKJORJSA-N 0 3 350.428 4.035 40 0 FIABHN OC1(c2ccccc2F)CCN(Cc2c3cccnc3[nH]c2C2CC2)CC1 ZINC000019347963 211217315 /nfs/dbraw/zinc/21/73/15/211217315.db2.gz TZWUZHSRTLWDNJ-UHFFFAOYSA-N 0 3 365.452 4.063 40 0 FIABHN COc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2cccs2)c1 ZINC000001377829 210347036 /nfs/dbraw/zinc/34/70/36/210347036.db2.gz PNHRWTJZXCMWGX-AYHJJNSGSA-N 0 3 370.518 4.072 40 0 FIABHN Fc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057052 222005348 /nfs/dbraw/zinc/00/53/48/222005348.db2.gz YINWRGIHERSHJW-FCHUYYIVSA-N 0 3 361.501 4.404 40 0 FIABHN Cc1cccc(CN2CCC3(CC2)c2ccccc2N(c2ccoc2)C3=O)n1 ZINC000107358627 222394930 /nfs/dbraw/zinc/39/49/30/222394930.db2.gz MOUZOYOPJLRJHW-UHFFFAOYSA-N 0 3 373.456 4.195 40 0 FIABHN CCOc1ccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039749517 263399071 /nfs/dbraw/zinc/39/90/71/263399071.db2.gz KFBRHYDASFBVPW-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN Cc1cccc(O[C@@H]2CCC[C@H](NCc3c(C)cccc3Cl)[C@H]2O)c1 ZINC000585290148 570496003 /nfs/dbraw/zinc/49/60/03/570496003.db2.gz UGJNJPHBBWJANF-PWRODBHTSA-N 0 3 359.897 4.407 40 0 FIABHN O=C(N[C@H]1CCCc2ccccc21)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932971 570539295 /nfs/dbraw/zinc/53/92/95/570539295.db2.gz CABHMTIXRDPSCZ-UGKGYDQZSA-N 0 3 366.480 4.232 40 0 FIABHN C[C@@H](NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCC2 ZINC000143578766 570635406 /nfs/dbraw/zinc/63/54/06/570635406.db2.gz PMNHALBISBERPU-GOSISDBHSA-N 0 3 362.517 4.265 40 0 FIABHN CCN(CC)CCOC(=O)[C@@H](C1CCCCC1)C1(O)CCCCCC1 ZINC000006382233 570646215 /nfs/dbraw/zinc/64/62/15/570646215.db2.gz CMALZTOOSHBLNK-LJQANCHMSA-N 0 3 353.547 4.153 40 0 FIABHN O=C(COc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 ZINC000007696790 570670180 /nfs/dbraw/zinc/67/01/80/570670180.db2.gz RJFASJNKGHIYAV-UHFFFAOYSA-N 0 3 372.896 4.021 40 0 FIABHN CC[C@H](CO)NCc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000008326999 570680349 /nfs/dbraw/zinc/68/03/49/570680349.db2.gz HBGWQFHUJRYYBY-GOSISDBHSA-N 0 3 353.437 4.418 40 0 FIABHN COc1ccc2[nH]c(CN3CCC(O)(c4cccc(C)c4)CC3)c(C)c2c1 ZINC000012328528 570737194 /nfs/dbraw/zinc/73/71/94/570737194.db2.gz IMRFQKHZMQWMOG-UHFFFAOYSA-N 0 3 364.489 4.277 40 0 FIABHN COc1ccccc1-c1ccc(CN2CCC(O)(c3cccnc3)CC2)cc1 ZINC000012363704 570738627 /nfs/dbraw/zinc/73/86/27/570738627.db2.gz NBDHXPBWZXSGBB-UHFFFAOYSA-N 0 3 374.484 4.241 40 0 FIABHN Cc1cccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000024181951 570972649 /nfs/dbraw/zinc/97/26/49/570972649.db2.gz FQBWPNJHFQFFTP-IBGZPJMESA-N 0 3 366.505 4.065 40 0 FIABHN CC(C)(Cc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000225363939 571030873 /nfs/dbraw/zinc/03/08/73/571030873.db2.gz JFKFLHHFEJAJQQ-HXUWFJFHSA-N 0 3 368.496 4.175 40 0 FIABHN CSc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938078 571052788 /nfs/dbraw/zinc/05/27/88/571052788.db2.gz XYGOVBFAQAYTLB-INIZCTEOSA-N 0 3 358.482 4.398 40 0 FIABHN COc1ccc(C)cc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000038849473 571087572 /nfs/dbraw/zinc/08/75/72/571087572.db2.gz DPKJURFIRHEUIE-UHFFFAOYSA-N 0 3 352.478 4.488 40 0 FIABHN CC(C)C(NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)C(C)C ZINC000038849162 571087735 /nfs/dbraw/zinc/08/77/35/571087735.db2.gz SWVVNNVDRQZJMZ-QGZVFWFLSA-N 0 3 350.934 4.349 40 0 FIABHN O=C(NCc1ccc(F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044932024 571104963 /nfs/dbraw/zinc/10/49/63/571104963.db2.gz ADIJKQSBBUBFPL-QGZVFWFLSA-N 0 3 360.860 4.008 40 0 FIABHN CCN(Cc1ccccc1)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000006325629 571127144 /nfs/dbraw/zinc/12/71/44/571127144.db2.gz FOZUHRZVYREPSW-NEUFXUDDSA-N 0 3 371.565 4.493 40 0 FIABHN FC(F)(F)c1cccc(-c2noc([C@@H]3CCN(Cc4ccncc4)C3)n2)c1 ZINC000072369957 571184916 /nfs/dbraw/zinc/18/49/16/571184916.db2.gz YEEURVYXFMZFAT-OAHLLOKOSA-N 0 3 374.366 4.140 40 0 FIABHN COc1ccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390077 571189715 /nfs/dbraw/zinc/18/97/15/571189715.db2.gz OSQUWYWXPCTAJM-HNNXBMFYSA-N 0 3 355.463 4.186 40 0 FIABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)cs1 ZINC000585104425 571223997 /nfs/dbraw/zinc/22/39/97/571223997.db2.gz IHXUZETUEOONJE-HXUWFJFHSA-N 0 3 372.534 4.121 40 0 FIABHN Clc1ccc(OCc2cc([C@@H]3CCN(Cc4ccncc4)C3)n[nH]2)cc1 ZINC000019695886 571304325 /nfs/dbraw/zinc/30/43/25/571304325.db2.gz NDFAIIBAQYLVSJ-MRXNPFEDSA-N 0 3 368.868 4.027 40 0 FIABHN c1ccc(CN2CC[C@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 ZINC000306123629 210048427 /nfs/dbraw/zinc/04/84/27/210048427.db2.gz ASMUXSWGROAPSN-NRFANRHFSA-N 0 3 354.457 4.386 40 0 FIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCc3ccccc3C2)c1 ZINC000257216215 223023209 /nfs/dbraw/zinc/02/32/09/223023209.db2.gz CTPDFKJAUHACCV-UHFFFAOYSA-N 0 3 371.484 4.009 40 0 FIABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COC(C)C)C3)c2)cc1 ZINC000257268920 223044069 /nfs/dbraw/zinc/04/40/69/223044069.db2.gz MNUMPJDGDRHZEV-SFHVURJKSA-N 0 3 367.493 4.183 40 0 FIABHN CCOc1ccc(CN2CCC[C@@H](c3cc4ncccc4[nH]3)C2)cc1OC ZINC000019533806 211231376 /nfs/dbraw/zinc/23/13/76/211231376.db2.gz DJPJZWYHPRQCIC-QGZVFWFLSA-N 0 3 365.477 4.350 40 0 FIABHN Cc1ccccc1C1(O)CCN(Cc2c3cccnc3[nH]c2C(C)C)CC1 ZINC000019236916 211208495 /nfs/dbraw/zinc/20/84/95/211208495.db2.gz HQMNQIBQTKRPCI-UHFFFAOYSA-N 0 3 363.505 4.478 40 0 FIABHN COc1ccccc1OCCN(C)Cc1c2cccnc2[nH]c1C(C)(C)C ZINC000019083435 211201540 /nfs/dbraw/zinc/20/15/40/211201540.db2.gz NRWMWUCMZUPWEG-UHFFFAOYSA-N 0 3 367.493 4.380 40 0 FIABHN O=C(CC(c1ccccc1)c1ccccc1)NCCN1CCCCCC1 ZINC000013717064 211052649 /nfs/dbraw/zinc/05/26/49/211052649.db2.gz IEDZMWJGYFOFHY-UHFFFAOYSA-N 0 3 350.506 4.201 40 0 FIABHN Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CNCCc1ccccc1 ZINC000004894692 132255356 /nfs/dbraw/zinc/25/53/56/132255356.db2.gz PROJJJKVXFPPGE-SFHVURJKSA-N 0 3 350.506 4.446 40 0 FIABHN Cc1nc(NC(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000329040816 132372811 /nfs/dbraw/zinc/37/28/11/132372811.db2.gz SGDXUWSKLXEZSR-UHFFFAOYSA-N 0 3 366.387 4.067 40 0 FIABHN Fc1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)cc1 ZINC000096058702 222008023 /nfs/dbraw/zinc/00/80/23/222008023.db2.gz KXZBKBILYRTKNF-UHFFFAOYSA-N 0 3 351.400 4.023 40 0 FIABHN Cn1cnc2c1cc(C1CCN(Cc3ccco3)CC1)nc2-c1cccnc1 ZINC000096099940 222022274 /nfs/dbraw/zinc/02/22/74/222022274.db2.gz LZRCTMGKHTUUSA-UHFFFAOYSA-N 0 3 373.460 4.003 40 0 FIABHN C[C@@H](NCc1ccc(-c2ccc([C@H](C)O)cc2)o1)[C@H](O)c1ccccc1 ZINC000035539959 263398398 /nfs/dbraw/zinc/39/83/98/263398398.db2.gz VYSXKPWWGYKNEV-VVBPWWLESA-N 0 3 351.446 4.212 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2)CC1 ZINC000020489280 521021978 /nfs/dbraw/zinc/02/19/78/521021978.db2.gz JVZGCNSTICJMCL-UHFFFAOYSA-N 0 3 368.496 4.420 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)CC1 ZINC000020110577 521022215 /nfs/dbraw/zinc/02/22/15/521022215.db2.gz CYXBCNQSFHOQON-UHFFFAOYSA-N 0 3 350.506 4.281 40 0 FIABHN CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc3ccccc3c2)nc1 ZINC000257257214 526813277 /nfs/dbraw/zinc/81/32/77/526813277.db2.gz KOOUVSDVHFMMER-HSZRJFAPSA-N 0 3 359.473 4.208 40 0 FIABHN CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000222836953 568570009 /nfs/dbraw/zinc/57/00/09/568570009.db2.gz SLLUMFKRDRJYQO-UHFFFAOYSA-N 0 3 368.496 4.175 40 0 FIABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc(O)cc2)CC1 ZINC000585274178 570487358 /nfs/dbraw/zinc/48/73/58/570487358.db2.gz TWZJAGOGMFXYEN-UHFFFAOYSA-N 0 3 355.478 4.069 40 0 FIABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934104 570539242 /nfs/dbraw/zinc/53/92/42/570539242.db2.gz QOEGIPJGEUPJSC-QAPCUYQASA-N 0 3 358.432 4.054 40 0 FIABHN Cc1ccccc1OCCCN1CC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000072369841 570546744 /nfs/dbraw/zinc/54/67/44/570546744.db2.gz WPNXCZUFVJOKTE-IBGZPJMESA-N 0 3 363.461 4.303 40 0 FIABHN O=C(CCCCCCCCC(=O)CN1CCCCC1)CN1CCCCC1 ZINC000004403602 570589715 /nfs/dbraw/zinc/58/97/15/570589715.db2.gz ZJMVTBDNMCKZIE-UHFFFAOYSA-N 0 3 364.574 4.217 40 0 FIABHN CC(C)(CO)NCc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000006883187 570655937 /nfs/dbraw/zinc/65/59/37/570655937.db2.gz KQPMUHGHKAKRDL-UHFFFAOYSA-N 0 3 354.277 4.433 40 0 FIABHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000008326321 570680436 /nfs/dbraw/zinc/68/04/36/570680436.db2.gz QUCRVSIDRFHUSI-INIZCTEOSA-N 0 3 354.277 4.433 40 0 FIABHN COc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1 ZINC000008470289 570681843 /nfs/dbraw/zinc/68/18/43/570681843.db2.gz HUWONKKIIDCRCQ-UHFFFAOYSA-N 0 3 362.267 4.289 40 0 FIABHN COc1ccccc1NC(=O)NCc1ccccc1CN1CCCCC1 ZINC000018177324 570876075 /nfs/dbraw/zinc/87/60/75/570876075.db2.gz HQXGTJHDWKFHRB-UHFFFAOYSA-N 0 3 353.466 4.003 40 0 FIABHN CCOC(=O)C1(c2ccccc2)CCN(CCSc2ccccc2)CC1 ZINC000005315344 570956983 /nfs/dbraw/zinc/95/69/83/570956983.db2.gz PHBGXFFFCZHWKO-UHFFFAOYSA-N 0 3 369.530 4.376 40 0 FIABHN Cc1ccc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224831506 571001770 /nfs/dbraw/zinc/00/17/70/571001770.db2.gz HTWMQSBBNZNNDY-IBGZPJMESA-N 0 3 366.505 4.065 40 0 FIABHN CCCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224831684 571001779 /nfs/dbraw/zinc/00/17/79/571001779.db2.gz RNVMUWDRYDRXKY-UHFFFAOYSA-N 0 3 366.505 4.391 40 0 FIABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030756488 571049878 /nfs/dbraw/zinc/04/98/78/571049878.db2.gz CMEKZMQWLZGGFR-QGZVFWFLSA-N 0 3 352.478 4.172 40 0 FIABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832822 571086709 /nfs/dbraw/zinc/08/67/09/571086709.db2.gz DUJMFFOAICBBPW-APWZRJJASA-N 0 3 356.897 4.429 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCSc3ccccc3)cc2)CC1 ZINC000038836586 571087712 /nfs/dbraw/zinc/08/77/12/571087712.db2.gz IETJFGQJGGIVCR-UHFFFAOYSA-N 0 3 368.546 4.441 40 0 FIABHN CSc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000038852537 571088138 /nfs/dbraw/zinc/08/81/38/571088138.db2.gz HUVHOCDQWLVISR-INIZCTEOSA-N 0 3 358.482 4.398 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc3c(c2)CCO3)s1 ZINC000043277887 571100315 /nfs/dbraw/zinc/10/03/15/571100315.db2.gz WJKMIQVCWQDEJE-UHFFFAOYSA-N 0 3 367.518 4.280 40 0 FIABHN O=C(C(c1ccccc1)c1ccccc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000049568613 571109663 /nfs/dbraw/zinc/10/96/63/571109663.db2.gz AUBASQUVLJYPAO-PMOQBDJRSA-N 0 3 374.528 4.151 40 0 FIABHN O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000057153387 571122385 /nfs/dbraw/zinc/12/23/85/571122385.db2.gz PXGABJLIJRHNTN-UHFFFAOYSA-N 0 3 363.505 4.138 40 0 FIABHN Cc1cc2nc([C@@H]3CCCN(Cc4ccco4)C3)cc(C(F)(F)F)n2n1 ZINC000072340866 571179358 /nfs/dbraw/zinc/17/93/58/571179358.db2.gz YNQLZQQNFWVGKI-CYBMUJFWSA-N 0 3 364.371 4.029 40 0 FIABHN COc1cccc(-c2noc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)c1 ZINC000072369868 571185128 /nfs/dbraw/zinc/18/51/28/571185128.db2.gz KGKMTLGAWLCIRV-INIZCTEOSA-N 0 3 369.852 4.388 40 0 FIABHN Fc1ccc(CN2CCC[C@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377409 571186202 /nfs/dbraw/zinc/18/62/02/571186202.db2.gz RDAYYTAVUGXJGW-KRWDZBQOSA-N 0 3 363.440 4.134 40 0 FIABHN c1cnc([N-]c2nccc([C@@H]3CCCC[N@H+]3CC3CCCCC3)n2)cn1 ZINC000072377846 571186645 /nfs/dbraw/zinc/18/66/45/571186645.db2.gz ZYSNKGNXADZGTL-SFHVURJKSA-N 0 3 352.486 4.118 40 0 FIABHN c1cnc([N-]c2nccc([C@@H]3CCCC[N@@H+]3CC3CCCCC3)n2)cn1 ZINC000072377846 571186647 /nfs/dbraw/zinc/18/66/47/571186647.db2.gz ZYSNKGNXADZGTL-SFHVURJKSA-N 0 3 352.486 4.118 40 0 FIABHN CCc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccc(OC)cc2)n1 ZINC000072379115 571187588 /nfs/dbraw/zinc/18/75/88/571187588.db2.gz FCOQPLNYJXWQSB-FQEVSTJZSA-N 0 3 362.477 4.175 40 0 FIABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)s1 ZINC000306125728 210049923 /nfs/dbraw/zinc/04/99/23/210049923.db2.gz DAASYGHBYCLAKL-IBGZPJMESA-N 0 3 371.531 4.156 40 0 FIABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCCN(C2CCCC2)C1 ZINC000257200096 223015368 /nfs/dbraw/zinc/01/53/68/223015368.db2.gz ABYQQQSEZURJBS-CQSZACIVSA-N 0 3 357.523 4.120 40 0 FIABHN Fc1ccccc1CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257200948 223017522 /nfs/dbraw/zinc/01/75/22/223017522.db2.gz AFLCEZZTBZYWNP-UHFFFAOYSA-N 0 3 363.440 4.134 40 0 FIABHN c1ccc(-c2noc([C@@H]3CCN(Cc4ccc5ccccc5n4)C3)n2)cc1 ZINC000257227419 223027933 /nfs/dbraw/zinc/02/79/33/223027933.db2.gz FPEIKVJKVGFXER-GOSISDBHSA-N 0 3 356.429 4.274 40 0 FIABHN COCCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257300994 223057614 /nfs/dbraw/zinc/05/76/14/223057614.db2.gz RWMBRMZUPVJMLS-MRXNPFEDSA-N 0 3 371.456 4.015 40 0 FIABHN CN(C)CCSc1nc2cc3c(cc2cc1Cc1ccccc1)OCO3 ZINC000013483228 220069835 /nfs/dbraw/zinc/06/98/35/220069835.db2.gz PCZXSHRFWHRKTB-UHFFFAOYSA-N 0 3 366.486 4.208 40 0 FIABHN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C2CCCCC2)CC1 ZINC000016385398 211161445 /nfs/dbraw/zinc/16/14/45/211161445.db2.gz KRINSLOBQAVRJL-UHFFFAOYSA-N 0 3 356.297 4.476 40 0 FIABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)cc2)c1C ZINC000013646757 211046918 /nfs/dbraw/zinc/04/69/18/211046918.db2.gz WOSZWSBBRMKXCA-UHFFFAOYSA-N 0 3 366.461 4.020 40 0 FIABHN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCC3)cc2)c1 ZINC000013632428 211044595 /nfs/dbraw/zinc/04/45/95/211044595.db2.gz CTIBKPGHXMISSU-UHFFFAOYSA-N 0 3 366.461 4.020 40 0 FIABHN CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccccc1F ZINC000008254166 210776701 /nfs/dbraw/zinc/77/67/01/210776701.db2.gz NWYHSXHATRCQCN-UHFFFAOYSA-N 0 3 367.848 4.193 40 0 FIABHN CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCNCCOC(=O)Nc1ccccc1)C2 ZINC000002277158 210388271 /nfs/dbraw/zinc/38/82/71/210388271.db2.gz LBEOWKDSFZCIPA-DJPFJPOOSA-N 0 3 360.498 4.056 40 0 FIABHN COc1ccc(CCNCC(=O)N2c3ccccc3[C@H](C)CC2(C)C)cc1 ZINC000004894677 132255538 /nfs/dbraw/zinc/25/55/38/132255538.db2.gz QUKFWESELZACCU-QGZVFWFLSA-N 0 3 366.505 4.146 40 0 FIABHN O=C1N(Cc2ccccc2)c2ccccc2C12CCN(Cc1ccoc1)CC2 ZINC000096052526 222002933 /nfs/dbraw/zinc/00/29/33/222002933.db2.gz CVRCGHPNJLUZKH-UHFFFAOYSA-N 0 3 372.468 4.360 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)[C@@H](c2ccccc2)CC(=O)N3C)s1 ZINC000096061437 222008433 /nfs/dbraw/zinc/00/84/33/222008433.db2.gz INCYDGYYPIGMQW-LJQANCHMSA-N 0 3 354.519 4.037 40 0 FIABHN CC(=O)c1cccc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039750995 263399188 /nfs/dbraw/zinc/39/91/88/263399188.db2.gz CRJKACFOUBSEIZ-UHFFFAOYSA-N 0 3 350.462 4.048 40 0 FIABHN FC(F)(F)c1ccc(O[C@H]2COCCN(CC3CCCCC3)C2)cc1 ZINC000085435948 560071618 /nfs/dbraw/zinc/07/16/18/560071618.db2.gz CREFGPYFGPENAA-GOSISDBHSA-N 0 3 357.416 4.365 40 0 biogenic,in-vitro FIABHN CC(=O)N1CCC[C@H](NCc2cccc(F)c2)[C@@H]1Cc1cccc(Cl)c1 ZINC000585286324 570494489 /nfs/dbraw/zinc/49/44/89/570494489.db2.gz PUNRXXQTEWZBEB-SFTDATJTSA-N 0 3 374.887 4.191 40 0 FIABHN CN(C)CCNc1nc(Nc2ccc(F)c(F)c2)cc(-c2ccccc2)n1 ZINC000242965146 570609894 /nfs/dbraw/zinc/60/98/94/570609894.db2.gz HLENVVMPWICUCE-UHFFFAOYSA-N 0 3 369.419 4.139 40 0 FIABHN COC1(COc2cccc(Cl)c2)CCN(Cc2ccc(O)cc2)CC1 ZINC000257212756 570627158 /nfs/dbraw/zinc/62/71/58/570627158.db2.gz CEUSZVGPMBVMKL-UHFFFAOYSA-N 0 3 361.869 4.106 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1)c1ccc(F)cc1 ZINC000004888079 570672500 /nfs/dbraw/zinc/67/25/00/570672500.db2.gz RRSFVFFQHQIZOJ-AYHJJNSGSA-N 0 3 358.482 4.203 40 0 FIABHN CCOc1c(Br)cc(Br)cc1CNCC(C)C ZINC000008253305 570679016 /nfs/dbraw/zinc/67/90/16/570679016.db2.gz DXVKCJUHDPTSEE-UHFFFAOYSA-N 0 3 365.109 4.356 40 0 FIABHN CCN1CCC[C@@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012275074 570731946 /nfs/dbraw/zinc/73/19/46/570731946.db2.gz IFQPSCHGVVMSGT-CYBMUJFWSA-N 0 3 371.535 4.225 40 0 FIABHN COCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000008469056 570795989 /nfs/dbraw/zinc/79/59/89/570795989.db2.gz JTTYSSNZMCZZGH-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN COCCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000008469135 570796031 /nfs/dbraw/zinc/79/60/31/570796031.db2.gz MANSUGRTYMACPK-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN CCC(=O)N1CCCc2cc([C@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 ZINC000019498880 570890610 /nfs/dbraw/zinc/89/06/10/570890610.db2.gz GZXCGAZOPVDIBN-OAQYLSRUSA-N 0 3 372.553 4.167 40 0 FIABHN CCOc1ccc(C(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1C ZINC000223931960 570972328 /nfs/dbraw/zinc/97/23/28/570972328.db2.gz QHSWEHKCAVXAEH-UHFFFAOYSA-N 0 3 368.477 4.119 40 0 FIABHN Cc1cccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000024181948 570972661 /nfs/dbraw/zinc/97/26/61/570972661.db2.gz FQBWPNJHFQFFTP-LJQANCHMSA-N 0 3 366.505 4.065 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)c1 ZINC000224528805 570992254 /nfs/dbraw/zinc/99/22/54/570992254.db2.gz WDDFGBUICYWDOO-LJQANCHMSA-N 0 3 350.506 4.127 40 0 FIABHN Cc1ccc(C)c(CC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000224835756 571001753 /nfs/dbraw/zinc/00/17/53/571001753.db2.gz PTZHNVRLLJWCGV-UHFFFAOYSA-N 0 3 350.506 4.148 40 0 FIABHN Nc1ccc2c(c1)C(NCCc1ccc(Oc3ccccc3)cc1)=NCN2 ZINC000027645180 571016604 /nfs/dbraw/zinc/01/66/04/571016604.db2.gz GGBVTWRQPMDRCK-UHFFFAOYSA-N 0 3 358.445 4.023 40 0 in-vitro FIABHN O=C(CCCOc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000030551698 571048173 /nfs/dbraw/zinc/04/81/73/571048173.db2.gz SCKKKTSVMMZHGC-UHFFFAOYSA-N 0 3 366.505 4.148 40 0 FIABHN C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943781 571052897 /nfs/dbraw/zinc/05/28/97/571052897.db2.gz OZLOTUGVWUREQQ-WIYYLYMNSA-N 0 3 368.496 4.175 40 0 FIABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225714748 571058433 /nfs/dbraw/zinc/05/84/33/571058433.db2.gz DKEJASXHTQGJHX-AVRDEDQJSA-N 0 3 374.525 4.085 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1)c1ccccc1F ZINC000035289775 571076501 /nfs/dbraw/zinc/07/65/01/571076501.db2.gz UOZHKRXQVIKEEN-YQQQUEKLSA-N 0 3 370.443 4.280 40 0 FIABHN O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000225901226 571078877 /nfs/dbraw/zinc/07/88/77/571078877.db2.gz MSCCLSBGKPKVPH-INIZCTEOSA-N 0 3 351.475 4.147 40 0 FIABHN CN(C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000225904771 571078914 /nfs/dbraw/zinc/07/89/14/571078914.db2.gz UBXGEPXOEDKQQA-INIZCTEOSA-N 0 3 360.860 4.354 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]nc2C(C)(C)C)s1 ZINC000036740433 571081460 /nfs/dbraw/zinc/08/14/60/571081460.db2.gz IRDBOLWRSQMFIA-UHFFFAOYSA-N 0 3 371.554 4.366 40 0 FIABHN COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000038834796 571087261 /nfs/dbraw/zinc/08/72/61/571087261.db2.gz RYIZGYAXOKEWAF-UHFFFAOYSA-N 0 3 368.477 4.188 40 0 FIABHN Cc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 ZINC000038848759 571087759 /nfs/dbraw/zinc/08/77/59/571087759.db2.gz VXWVXZODTYMPHI-LJQANCHMSA-N 0 3 356.897 4.177 40 0 FIABHN O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848603 571087776 /nfs/dbraw/zinc/08/77/76/571087776.db2.gz WCMMBMMICGFYIJ-KRWDZBQOSA-N 0 3 360.860 4.008 40 0 FIABHN Cc1cccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000044912272 571104901 /nfs/dbraw/zinc/10/49/01/571104901.db2.gz PARZGMHKKNMGQV-LJQANCHMSA-N 0 3 356.897 4.177 40 0 FIABHN COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348953 571180550 /nfs/dbraw/zinc/18/05/50/571180550.db2.gz MHZQGIQQICLSKY-HXUWFJFHSA-N 0 3 373.500 4.456 40 0 FIABHN Fc1ccc(CN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)cc1 ZINC000072375919 571185778 /nfs/dbraw/zinc/18/57/78/571185778.db2.gz IKOSIOOAZLPIIL-QGZVFWFLSA-N 0 3 363.440 4.134 40 0 FIABHN CCc1nccn1-c1cccc(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000072378646 571186954 /nfs/dbraw/zinc/18/69/54/571186954.db2.gz ITUUNKHKYCIFPH-UHFFFAOYSA-N 0 3 364.468 4.348 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCCSc3ccccc3)CC2)cc1 ZINC000009063110 571302533 /nfs/dbraw/zinc/30/25/33/571302533.db2.gz CYVBPRZHPWVIEN-UHFFFAOYSA-N 0 3 368.546 4.116 40 0 FIABHN CC(C)n1cc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3C)c2ccc(F)cc21 ZINC000019713831 571304814 /nfs/dbraw/zinc/30/48/14/571304814.db2.gz ILTPHUUTLKJLDJ-VQTJNVASSA-N 0 3 371.500 4.337 40 0 FIABHN Cc1ccc(CN2Cc3c(nc(C)n3C(C)C)C3(CCN(C)CC3)C2)s1 ZINC000306143346 210057062 /nfs/dbraw/zinc/05/70/62/210057062.db2.gz XZWAEMKINJUHQX-UHFFFAOYSA-N 0 3 372.582 4.122 40 0 FIABHN Cc1cccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)c1 ZINC000306143208 210057103 /nfs/dbraw/zinc/05/71/03/210057103.db2.gz XWJYUFVRTKFMEG-NRFANRHFSA-N 0 3 365.502 4.095 40 0 FIABHN Cc1cc(N2CC3(CCCCC3)OC2=O)nc(C2CCN(C(C)C)CC2)n1 ZINC000257344708 223073360 /nfs/dbraw/zinc/07/33/60/223073360.db2.gz ZYJIETPIDRLOKI-UHFFFAOYSA-N 0 3 372.513 4.032 40 0 FIABHN Cc1cccc(CN2CC[C@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306136673 223112252 /nfs/dbraw/zinc/11/22/52/223112252.db2.gz PZUIYQKKGIDINW-NRFANRHFSA-N 0 3 365.502 4.095 40 0 FIABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075080 211336225 /nfs/dbraw/zinc/33/62/25/211336225.db2.gz QYURARINJHLONL-NRFANRHFSA-N 0 3 363.457 4.097 40 0 FIABHN CN(C)CCN(Cc1cccnc1)CC1(c2ccc(F)cc2)CCCC1 ZINC000019582632 211238925 /nfs/dbraw/zinc/23/89/25/211238925.db2.gz FCPZCUQZWDDXOZ-UHFFFAOYSA-N 0 3 355.501 4.096 40 0 FIABHN c1cncc(-c2nnc(C3CCN(Cc4ccc5ncccc5c4)CC3)o2)c1 ZINC000019347005 211217282 /nfs/dbraw/zinc/21/72/82/211217282.db2.gz CFEQCJGIQVJLIY-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN CC[C@@]1(CN2CCCCC2)COc2c(Br)cc(C)cc2C1=O ZINC000005469165 210621879 /nfs/dbraw/zinc/62/18/79/210621879.db2.gz UEIBHXXTWOQDDB-GOSISDBHSA-N 0 3 366.299 4.215 40 0 FIABHN Fc1ccc([C@@H]2CN(Cc3cccc(F)c3F)C[C@H]2c2cc[nH]n2)cc1 ZINC000057773942 221092846 /nfs/dbraw/zinc/09/28/46/221092846.db2.gz WHXMFXSCHZCNKJ-DLBZAZTESA-N 0 3 357.379 4.210 40 0 FIABHN Fc1ccc(-c2cnc3n2C[C@H](CNCc2ccccc2Cl)OC3)cc1 ZINC000096112932 222031669 /nfs/dbraw/zinc/03/16/69/222031669.db2.gz JWBMHUVHUGUTBI-KRWDZBQOSA-N 0 3 371.843 4.031 40 0 biogenic,in-vitro FIABHN c1ccc(-c2ccc3nc(C4CCN(Cc5ccncc5)CC4)nn3c2)cc1 ZINC000096038178 221994064 /nfs/dbraw/zinc/99/40/64/221994064.db2.gz JIJQLFRGCAMVHN-UHFFFAOYSA-N 0 3 369.472 4.171 40 0 FIABHN Cc1cccc(CN2CC[C@@]3(C2)Cn2c(-c4cccs4)cnc2CO3)c1 ZINC000306136674 534711133 /nfs/dbraw/zinc/71/11/33/534711133.db2.gz PZUIYQKKGIDINW-OAQYLSRUSA-N 0 3 365.502 4.095 40 0 FIABHN CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257217594 528316183 /nfs/dbraw/zinc/31/61/83/528316183.db2.gz CZQPNSGUSHGNEK-INIZCTEOSA-N 0 3 353.466 4.258 40 0 FIABHN CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1c(F)cccc1Cl ZINC000022931753 568314530 /nfs/dbraw/zinc/31/45/30/568314530.db2.gz MNPWXGVEGNCOQS-QGZVFWFLSA-N 0 3 361.892 4.361 40 0 FIABHN CC(=O)N1CCC[C@H](NCc2ccccc2Cl)[C@@H]1Cc1ccc(F)cc1 ZINC000585269216 570484174 /nfs/dbraw/zinc/48/41/74/570484174.db2.gz LXADPFJLQZMUIO-SFTDATJTSA-N 0 3 374.887 4.191 40 0 FIABHN O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1NCc1ccccc1Cl ZINC000585288436 570496603 /nfs/dbraw/zinc/49/66/03/570496603.db2.gz AINSRMMTNGQOFO-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000004685750 570600637 /nfs/dbraw/zinc/60/06/37/570600637.db2.gz GYMULKBMDCZDSX-CDNPAEQRSA-N 0 3 360.501 4.300 40 0 FIABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1CCC(C)CC1 ZINC000005047923 570619161 /nfs/dbraw/zinc/61/91/61/570619161.db2.gz UGBFKDFUCIJCEJ-XTXLOEGASA-N 0 3 353.547 4.009 40 0 FIABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl ZINC000008535073 570682919 /nfs/dbraw/zinc/68/29/19/570682919.db2.gz KEGOPWOVZWKHDK-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN CN1CCC[C@H](CNC(=S)Nc2ccc(Nc3ccccc3)cc2)C1 ZINC000009876317 570697019 /nfs/dbraw/zinc/69/70/19/570697019.db2.gz NIXCRBRFYJQIAS-MRXNPFEDSA-N 0 3 354.523 4.058 40 0 FIABHN CC(C)Oc1cccc(CN2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000012220301 570728528 /nfs/dbraw/zinc/72/85/28/570728528.db2.gz MNQZWVZRFAWINM-UHFFFAOYSA-N 0 3 350.466 4.125 40 0 FIABHN Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3ccccc3c2)CC1 ZINC000012292307 570732347 /nfs/dbraw/zinc/73/23/47/570732347.db2.gz OBPJSNXQYFOVPB-QHCPKHFHSA-N 0 3 361.485 4.165 40 0 FIABHN COc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012329088 570737362 /nfs/dbraw/zinc/73/73/62/570737362.db2.gz GMYNYNIVJRHIRL-RLAPIPATSA-N 0 3 355.453 4.157 40 0 FIABHN Cc1ccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000013675122 570784150 /nfs/dbraw/zinc/78/41/50/570784150.db2.gz QZJXZXADVDXCOS-UHFFFAOYSA-N 0 3 350.506 4.344 40 0 FIABHN CN1[C@H]2C=C(N(CCc3ccccc3)C(=O)c3ccc(F)cc3)C[C@@H]1CC2 ZINC000004016847 570892664 /nfs/dbraw/zinc/89/26/64/570892664.db2.gz QNDXPYLMSWGOGQ-RTWAWAEBSA-N 0 3 364.464 4.261 40 0 FIABHN Cc1cc(C)n(C2CCN(Cc3ccccc3N3CCCCC3)CC2)n1 ZINC000019658686 570896769 /nfs/dbraw/zinc/89/67/69/570896769.db2.gz SPYQJGWIPDABSE-UHFFFAOYSA-N 0 3 352.526 4.327 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)c1 ZINC000039759781 571026114 /nfs/dbraw/zinc/02/61/14/571026114.db2.gz OTGJLUPWMWJVGZ-UHFFFAOYSA-N 0 3 356.897 4.177 40 0 FIABHN CSc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030938075 571052637 /nfs/dbraw/zinc/05/26/37/571052637.db2.gz XYGOVBFAQAYTLB-MRXNPFEDSA-N 0 3 358.482 4.398 40 0 FIABHN O=C(Nc1ccc(F)c(F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030938341 571052647 /nfs/dbraw/zinc/05/26/47/571052647.db2.gz OMUZMDCJOALRNY-CQSZACIVSA-N 0 3 364.823 4.469 40 0 FIABHN O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000030946778 571053504 /nfs/dbraw/zinc/05/35/04/571053504.db2.gz SSWSQGVQTKSPIH-LJQANCHMSA-N 0 3 352.453 4.017 40 0 FIABHN COc1ccc([C@H]2CCCN2C[C@H](O)c2cc(C)ccc2C)cc1OC ZINC000036734414 571081438 /nfs/dbraw/zinc/08/14/38/571081438.db2.gz QFYQFRXUOSIZJU-UXHICEINSA-N 0 3 355.478 4.191 40 0 FIABHN Cc1cccc(CNC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000044912276 571104999 /nfs/dbraw/zinc/10/49/99/571104999.db2.gz PARZGMHKKNMGQV-IBGZPJMESA-N 0 3 356.897 4.177 40 0 FIABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1Cl ZINC000046103196 571106886 /nfs/dbraw/zinc/10/68/86/571106886.db2.gz SVXZZWCPDIIPBI-UHFFFAOYSA-N 0 3 359.926 4.075 40 0 FIABHN C[C@@H](CO)N(Cc1c2cccnc2[nH]c1C(C)(C)C)Cc1ccccc1 ZINC000072393645 571190293 /nfs/dbraw/zinc/19/02/93/571190293.db2.gz VBVGXFJXAIJNIO-INIZCTEOSA-N 0 3 351.494 4.243 40 0 FIABHN c1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccccc5)cn4n3)C2)cc1 ZINC000306123630 210049501 /nfs/dbraw/zinc/04/95/01/210049501.db2.gz ASMUXSWGROAPSN-OAQYLSRUSA-N 0 3 354.457 4.386 40 0 FIABHN Cc1c[nH]c(-c2cc(C)nc(C3CCN(Cc4sccc4C)CC3)n2)n1 ZINC000257205565 223018390 /nfs/dbraw/zinc/01/83/90/223018390.db2.gz AZQWVSOTSMTOBH-UHFFFAOYSA-N 0 3 367.522 4.233 40 0 FIABHN Cc1ccc(CN(C)C(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000022512272 211353387 /nfs/dbraw/zinc/35/33/87/211353387.db2.gz GPHSQZVJQSITIQ-UHFFFAOYSA-N 0 3 350.506 4.499 40 0 FIABHN Clc1cc(Cl)cc(-c2ccc(CNCCCN3CCOCC3)o2)c1 ZINC000022076686 211338263 /nfs/dbraw/zinc/33/82/63/211338263.db2.gz JTAAGBOYWLDACW-UHFFFAOYSA-N 0 3 369.292 4.065 40 0 FIABHN CC(C)n1cc(CN2CCC(CC(=O)NCC3CC3)CC2)c2ccccc21 ZINC000019748511 211252902 /nfs/dbraw/zinc/25/29/02/211252902.db2.gz IPBUGSALBHVGLY-UHFFFAOYSA-N 0 3 367.537 4.351 40 0 FIABHN Cc1noc2nc(C3CCN(Cc4ccncc4)CC3)cc(C(F)F)c12 ZINC000019565099 211233802 /nfs/dbraw/zinc/23/38/02/211233802.db2.gz VFMROSXUJPIUBF-UHFFFAOYSA-N 0 3 358.392 4.243 40 0 FIABHN COc1cc(CN2CC[C@@](O)(c3ccccc3)C2)ccc1OC1CCCC1 ZINC000019550127 211230012 /nfs/dbraw/zinc/23/00/12/211230012.db2.gz LVUIPOZXMFASPQ-QHCPKHFHSA-N 0 3 367.489 4.110 40 0 FIABHN C/C(=C\c1ccccc1)CN1CCCC[C@H]1c1ncc2c(n1)CCN(C)C2 ZINC000019014410 211198957 /nfs/dbraw/zinc/19/89/57/211198957.db2.gz DHLFXZHUTAZWSO-RRXSNJIPSA-N 0 3 362.521 4.095 40 0 FIABHN CCCOC(C(=O)OCCN(CC)CC)(c1ccccc1)c1ccccc1 ZINC000001608961 210361992 /nfs/dbraw/zinc/36/19/92/210361992.db2.gz YIJFXZVKHONBBE-UHFFFAOYSA-N 0 3 369.505 4.242 40 0 FIABHN COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1cccs1 ZINC000022076395 263384810 /nfs/dbraw/zinc/38/48/10/263384810.db2.gz WMAWNSMGSVDNBP-IBGZPJMESA-N 0 3 369.486 4.159 40 0 FIABHN Cc1ccc(CN2CC[C@]3(C2)Cn2c(-c4ccsc4)cnc2CO3)s1 ZINC000306136305 533956258 /nfs/dbraw/zinc/95/62/58/533956258.db2.gz PPOTZHSXJKDTSL-IBGZPJMESA-N 0 3 371.531 4.156 40 0 FIABHN Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1 ZINC000242459630 570609132 /nfs/dbraw/zinc/60/91/32/570609132.db2.gz BQHVHXIIJMRHGA-UHFFFAOYSA-N 0 3 361.493 4.478 40 0 FIABHN COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(Cl)cc1Cl ZINC000008535102 570682777 /nfs/dbraw/zinc/68/27/77/570682777.db2.gz XLFAWGNMQASOCK-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN COc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl ZINC000008535056 570682950 /nfs/dbraw/zinc/68/29/50/570682950.db2.gz KNSPZFJNLZCRIN-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN Cc1ccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)N3Cc2ccco2)cc1C ZINC000008690315 570684838 /nfs/dbraw/zinc/68/48/38/570684838.db2.gz SNFOZKYWNCUNHB-YQQQUEKLSA-N 0 3 369.534 4.378 40 0 FIABHN Cc1ccc(OCCN(C)Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)cc1 ZINC000012085209 570716953 /nfs/dbraw/zinc/71/69/53/570716953.db2.gz YKNFPKVGLIXEIN-FQEVSTJZSA-N 0 3 365.477 4.234 40 0 FIABHN CCN1CCC[C@H]1CNc1ncc(-c2cccs2)c(-c2nccs2)n1 ZINC000012275076 570731934 /nfs/dbraw/zinc/73/19/34/570731934.db2.gz IFQPSCHGVVMSGT-ZDUSSCGKSA-N 0 3 371.535 4.225 40 0 FIABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4ccccc4c3)CC2)c1 ZINC000012292311 570732335 /nfs/dbraw/zinc/73/23/35/570732335.db2.gz DBZBERMUOVHAMT-HSZRJFAPSA-N 0 3 361.485 4.165 40 0 FIABHN COc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1cccc(F)c1)C2 ZINC000012293190 570732857 /nfs/dbraw/zinc/73/28/57/570732857.db2.gz RMRYLCUBISVXIB-RLAPIPATSA-N 0 3 355.453 4.157 40 0 FIABHN COc1ccc(CN2CCC(O)(c3ccc(C)cc3)CC2)cc1OC(C)C ZINC000012344666 570738116 /nfs/dbraw/zinc/73/81/16/570738116.db2.gz VOQDUIPTXKFWMW-UHFFFAOYSA-N 0 3 369.505 4.274 40 0 FIABHN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000039761026 571023091 /nfs/dbraw/zinc/02/30/91/571023091.db2.gz JVWGHQYTIDSNTG-GOSISDBHSA-N 0 3 366.505 4.093 40 0 FIABHN O=C1OC2=C(CCCCC2)[C@H](N2CCCCC2)C12SCCCS2 ZINC000031759462 571055648 /nfs/dbraw/zinc/05/56/48/571055648.db2.gz LOXJREIATMNLGB-INIZCTEOSA-N 0 3 353.553 4.182 40 0 FIABHN FC(F)(F)c1cnc(CNCc2ccc(OCc3ccccc3)cc2)[nH]1 ZINC000035572466 571077160 /nfs/dbraw/zinc/07/71/60/571077160.db2.gz LWTJGYWJAGSZPV-UHFFFAOYSA-N 0 3 361.367 4.297 40 0 FIABHN COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038834172 571087209 /nfs/dbraw/zinc/08/72/09/571087209.db2.gz CIRMMSKDWVYVPM-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044852652 571103243 /nfs/dbraw/zinc/10/32/43/571103243.db2.gz PFEFQMOYLDSDFO-IBGZPJMESA-N 0 3 366.505 4.178 40 0 FIABHN CN1CCC2(CC1)CN(Cc1ccccc1Cl)Cc1ccccc1O2 ZINC000072394172 571190323 /nfs/dbraw/zinc/19/03/23/571190323.db2.gz NYNREPQCUYQTHW-UHFFFAOYSA-N 0 3 356.897 4.199 40 0 FIABHN O=c1cc(C2CC[NH+](CC3CCCCC3)CC2)nc(-c2cccnc2)[n-]1 ZINC000072392738 571190427 /nfs/dbraw/zinc/19/04/27/571190427.db2.gz RZCFLPIPGNETBO-UHFFFAOYSA-N 0 3 352.482 4.004 40 0 FIABHN O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100125 571221095 /nfs/dbraw/zinc/22/10/95/571221095.db2.gz GFEBNZLOTOPTTI-QHCPKHFHSA-N 0 3 366.480 4.373 40 0 FIABHN CC(C)(C)c1csc(CNC2CCC3(CC2)C(=O)Nc2ccccc23)n1 ZINC000133581484 571275914 /nfs/dbraw/zinc/27/59/14/571275914.db2.gz HJVROEGFSYDLSW-UHFFFAOYSA-N 0 3 369.534 4.363 40 0 FIABHN Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000009062739 571302339 /nfs/dbraw/zinc/30/23/39/571302339.db2.gz XOTDONLPHRNWFI-UHFFFAOYSA-N 0 3 368.496 4.095 40 0 FIABHN Cc1ccc(-c2cc(C(=O)N3CC[C@@]4(C)[C@@H]3CCCCCN4C)no2)cc1 ZINC000019713343 571304826 /nfs/dbraw/zinc/30/48/26/571304826.db2.gz OQIOIPPUHNVULY-UNMCSNQZSA-N 0 3 367.493 4.129 40 0 FIABHN C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030943787 571305311 /nfs/dbraw/zinc/30/53/11/571305311.db2.gz OZLOTUGVWUREQQ-NQIIRXRSSA-N 0 3 368.496 4.175 40 0 FIABHN Cc1cccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000022913870 211368981 /nfs/dbraw/zinc/36/89/81/211368981.db2.gz SISSTYWEWAWTRK-UHFFFAOYSA-N 0 3 370.496 4.483 40 0 FIABHN COCc1ccc(OC)c(CN2CCC(c3cc4ncccc4[nH]3)CC2)c1 ZINC000019594336 211241139 /nfs/dbraw/zinc/24/11/39/211241139.db2.gz HSEOXOBORQYDJP-UHFFFAOYSA-N 0 3 365.477 4.098 40 0 FIABHN O[C@H](CNCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000016477508 211160732 /nfs/dbraw/zinc/16/07/32/211160732.db2.gz JGDFEHSLVPDZIB-JOCHJYFZSA-N 0 3 351.421 4.228 40 0 FIABHN O=C(NCCN1CCCCCC1)c1ccccc1CCc1ccccc1 ZINC000013688454 211050719 /nfs/dbraw/zinc/05/07/19/211050719.db2.gz JYANHJSQVXPAHD-UHFFFAOYSA-N 0 3 350.506 4.078 40 0 FIABHN Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CNCCc1ccccc1 ZINC000004894689 132255398 /nfs/dbraw/zinc/25/53/98/132255398.db2.gz PROJJJKVXFPPGE-GOSISDBHSA-N 0 3 350.506 4.446 40 0 FIABHN CC(C)NC(=O)C[C@H]1CC2(CCN(Cc3ccoc3)CC2)c2ccccc21 ZINC000096052610 222002742 /nfs/dbraw/zinc/00/27/42/222002742.db2.gz PKPAYLMAMOYRTK-IBGZPJMESA-N 0 3 366.505 4.215 40 0 FIABHN CC(C)c1ccc(CCNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039750313 263399501 /nfs/dbraw/zinc/39/95/01/263399501.db2.gz IXKDSRZRPHLEII-UHFFFAOYSA-N 0 3 364.533 4.381 40 0 FIABHN O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 ZINC000004237295 560197765 /nfs/dbraw/zinc/19/77/65/560197765.db2.gz VXWYWZWSVZJIMM-LSDHHAIUSA-N 0 3 368.527 4.258 40 0 biogenic,in-vitro FIABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccccc1Cl ZINC000585289356 570495088 /nfs/dbraw/zinc/49/50/88/570495088.db2.gz QEVYACHKGSROGE-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN Fc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CCCC3)C2)cc1 ZINC000107752088 570525016 /nfs/dbraw/zinc/52/50/16/570525016.db2.gz YINWRGIHERSHJW-YADHBBJMSA-N 0 3 361.501 4.404 40 0 FIABHN CCN(CCO)[C@@H](c1ccc(Cl)cc1)[C@H](O)c1ccc(Cl)cc1 ZINC000004769618 570606125 /nfs/dbraw/zinc/60/61/25/570606125.db2.gz FCPMTNGZZNNVQK-ZWKOTPCHSA-N 0 3 354.277 4.082 40 0 FIABHN CCCCNCc1cc(Br)cc(Br)c1OC ZINC000007261649 570661886 /nfs/dbraw/zinc/66/18/86/570661886.db2.gz UMEBXVDICAQFNK-UHFFFAOYSA-N 0 3 351.082 4.110 40 0 FIABHN CC[C@H](C)NCc1cc(Br)cc(Br)c1OC ZINC000008326682 570680376 /nfs/dbraw/zinc/68/03/76/570680376.db2.gz CKTVLMBUWRAVIT-QMMMGPOBSA-N 0 3 351.082 4.108 40 0 FIABHN CC[C@@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008326311 570680388 /nfs/dbraw/zinc/68/03/88/570680388.db2.gz ORNXCRVNQWNPLJ-KRWDZBQOSA-N 0 3 354.277 4.433 40 0 FIABHN COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008497981 570682594 /nfs/dbraw/zinc/68/25/94/570682594.db2.gz NSSGMQURAFCCHO-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN CN(Cc1ccccc1OC[C@H]1CCCO1)Cc1cccc2ncccc12 ZINC000012191748 570725864 /nfs/dbraw/zinc/72/58/64/570725864.db2.gz DNSLHXUKMRBATF-HXUWFJFHSA-N 0 3 362.473 4.425 40 0 FIABHN COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000225188172 571021110 /nfs/dbraw/zinc/02/11/10/571021110.db2.gz KCGUSGNMYMIGKA-SFHVURJKSA-N 0 3 366.505 4.093 40 0 FIABHN CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000225200162 571021595 /nfs/dbraw/zinc/02/15/95/571021595.db2.gz WIRMDXVXKUCXPI-QGZVFWFLSA-N 0 3 368.496 4.478 40 0 FIABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCCc2ccccc21 ZINC000039762957 571023533 /nfs/dbraw/zinc/02/35/33/571023533.db2.gz XYENLEXRQMQWPD-UHFFFAOYSA-N 0 3 352.453 4.017 40 0 FIABHN COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220817 571027936 /nfs/dbraw/zinc/02/79/36/571027936.db2.gz HTRMDCTWRJAVFF-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225635121 571051650 /nfs/dbraw/zinc/05/16/50/571051650.db2.gz QLUUQENQDOSFIU-GCJKJVERSA-N 0 3 374.525 4.085 40 0 FIABHN CC(C)Oc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000030940193 571052771 /nfs/dbraw/zinc/05/27/71/571052771.db2.gz PDHKINVXKXBHCT-SFHVURJKSA-N 0 3 370.468 4.464 40 0 FIABHN CCCOC1(C(=O)Nc2ccc(OCCN(C)C)cc2)CCCCCC1 ZINC000225659264 571053312 /nfs/dbraw/zinc/05/33/12/571053312.db2.gz UDAAHSOUSMJEQK-UHFFFAOYSA-N 0 3 362.514 4.085 40 0 FIABHN Cc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1C ZINC000225742180 571061281 /nfs/dbraw/zinc/06/12/81/571061281.db2.gz IGKSODLNWQQWTQ-UHFFFAOYSA-N 0 3 353.535 4.038 40 0 FIABHN C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc(F)cc1 ZINC000044934095 571105360 /nfs/dbraw/zinc/10/53/60/571105360.db2.gz QOEGIPJGEUPJSC-MAUKXSAKSA-N 0 3 358.432 4.054 40 0 FIABHN CCN(Cc1ccccc1)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2 ZINC000006325635 571127005 /nfs/dbraw/zinc/12/70/05/571127005.db2.gz FOZUHRZVYREPSW-XCBYWJNASA-N 0 3 371.565 4.493 40 0 FIABHN CC(=O)NCc1cnc([C@@H]2CCCN2C2CCCCC2)cc1C(F)(F)F ZINC000072355973 571182486 /nfs/dbraw/zinc/18/24/86/571182486.db2.gz RBPWCKHZWDOESV-SFHVURJKSA-N 0 3 369.431 4.206 40 0 FIABHN COc1ccc(-c2noc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)cc1 ZINC000072369921 571185107 /nfs/dbraw/zinc/18/51/07/571185107.db2.gz LETVPFMJNXEBHV-MRXNPFEDSA-N 0 3 369.852 4.388 40 0 FIABHN Cc1nccn1-c1cccc([C@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379076 571187372 /nfs/dbraw/zinc/18/73/72/571187372.db2.gz XZEPMABWLHHPLK-SFHVURJKSA-N 0 3 350.441 4.094 40 0 FIABHN CCCn1nc(C)c(-c2cncn2C[C@H](c2ccc(C)cc2)N(C)C)c1C ZINC000072391892 571189922 /nfs/dbraw/zinc/18/99/22/571189922.db2.gz UFBHZPNHWBDCPV-OAQYLSRUSA-N 0 3 365.525 4.385 40 0 FIABHN COc1ccc([C@@H]2CCCN2C[C@@H](O)c2cc(C)ccc2C)cc1OC ZINC000019132046 571303792 /nfs/dbraw/zinc/30/37/92/571303792.db2.gz QFYQFRXUOSIZJU-VQTJNVASSA-N 0 3 355.478 4.191 40 0 FIABHN C[C@@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 ZINC000527876968 1109855108 /nfs/dbraw/zinc/85/51/08/1109855108.db2.gz WYBNSBNSTFMIEJ-BLVKFPJESA-N 0 3 356.832 4.398 40 0 FIABHN CCN1CCN(Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)CC1 ZINC000216840502 210160777 /nfs/dbraw/zinc/16/07/77/210160777.db2.gz WJQIRZUQTFWMDO-UHFFFAOYSA-N 0 3 355.869 4.286 40 0 FIABHN Cc1cccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)c1 ZINC000306143209 210056795 /nfs/dbraw/zinc/05/67/95/210056795.db2.gz XWJYUFVRTKFMEG-OAQYLSRUSA-N 0 3 365.502 4.095 40 0 FIABHN CCOc1ccc(Br)cc1CNCCc1ccc(OC)cc1 ZINC000022074624 211337761 /nfs/dbraw/zinc/33/77/61/211337761.db2.gz MROSCSRSSGFXEQ-UHFFFAOYSA-N 0 3 364.283 4.189 40 0 FIABHN CC(=O)Nc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000020050994 211265431 /nfs/dbraw/zinc/26/54/31/211265431.db2.gz GXGPMVUKXMONNN-UHFFFAOYSA-N 0 3 365.477 4.129 40 0 FIABHN Cc1nc(C)c(CC(=O)Nc2ccccc2CN2CCCCCC2)s1 ZINC000019560551 211233403 /nfs/dbraw/zinc/23/34/03/211233403.db2.gz IUHVLRXEXPGJNR-UHFFFAOYSA-N 0 3 357.523 4.317 40 0 FIABHN COc1ccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)cc1 ZINC000019238724 211209548 /nfs/dbraw/zinc/20/95/48/211209548.db2.gz GWXPUXJREPIFCY-UHFFFAOYSA-N 0 3 369.490 4.495 40 0 FIABHN c1ccc2nc(CN3CCC(c4nnc(-c5cccnc5)o4)CC3)ccc2c1 ZINC000019376321 211220887 /nfs/dbraw/zinc/22/08/87/211220887.db2.gz LDSDKOKAAIXMHM-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN O=C(c1cccs1)N1C[C@@H]2CCCCN(CCc3ccc(F)cc3)[C@@H]2C1 ZINC000019342902 211216674 /nfs/dbraw/zinc/21/66/74/211216674.db2.gz CPCXHOLMLYIMAY-PKOBYXMFSA-N 0 3 372.509 4.056 40 0 FIABHN O[C@@H](CNCc1cccc(OCc2ccccc2F)c1)c1ccccc1 ZINC000016477505 211160860 /nfs/dbraw/zinc/16/08/60/211160860.db2.gz JGDFEHSLVPDZIB-QFIPXVFZSA-N 0 3 351.421 4.228 40 0 FIABHN CC(C)n1cc(CN2CCC(CC(=O)N3CCCC3)CC2)c2ccccc21 ZINC000019748513 220293953 /nfs/dbraw/zinc/29/39/53/220293953.db2.gz QRUIQJNCGFRZHT-UHFFFAOYSA-N 0 3 367.537 4.447 40 0 FIABHN c1ccc(OCC(COc2ccccc2)OCCN2CCCCC2)cc1 ZINC000001586345 210360121 /nfs/dbraw/zinc/36/01/21/210360121.db2.gz ZANRRXVGIWDBEC-UHFFFAOYSA-N 0 3 355.478 4.016 40 0 FIABHN Cc1ccc(CN2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)o1 ZINC000049169761 221020003 /nfs/dbraw/zinc/02/00/03/221020003.db2.gz AZEHAQFFYGCTSE-HNNXBMFYSA-N 0 3 362.433 4.033 40 0 biogenic,in-vitro FIABHN O=C(c1cccs1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 ZINC000096047294 222000276 /nfs/dbraw/zinc/00/02/76/222000276.db2.gz NCMGKNCTCMBIBG-UHFFFAOYSA-N 0 3 360.548 4.328 40 0 FIABHN Cc1ccc(CN2CCC3(C[C@@H](c4ccccc4)C(=O)N3C)CC2)s1 ZINC000096061335 222007329 /nfs/dbraw/zinc/00/73/29/222007329.db2.gz VIVRIEMPWHCNKR-IBGZPJMESA-N 0 3 354.519 4.037 40 0 FIABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010338576 263365138 /nfs/dbraw/zinc/36/51/38/263365138.db2.gz DXCQVVMGIJXHGO-UHFFFAOYSA-N 0 3 366.461 4.102 40 0 FIABHN CN1CCC(Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1 ZINC000219951717 568313008 /nfs/dbraw/zinc/31/30/08/568313008.db2.gz REDDMLSINLPQJG-UHFFFAOYSA-N 0 3 350.418 4.158 40 0 FIABHN Cc1cccc(Cl)c1CN[C@@H]1CC[C@@H](Oc2ccc(Cl)cc2)[C@H]1O ZINC000585283797 570493818 /nfs/dbraw/zinc/49/38/18/570493818.db2.gz COSSDLFOZSBRNG-QRVBRYPASA-N 0 3 366.288 4.362 40 0 FIABHN CN(C)CCOC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 ZINC000002750667 570529791 /nfs/dbraw/zinc/52/97/91/570529791.db2.gz XCPSJSPFOHDFLZ-UHFFFAOYSA-N 0 3 355.478 4.282 40 0 FIABHN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044933433 570539159 /nfs/dbraw/zinc/53/91/59/570539159.db2.gz ILTYFJLVWKILFS-XLIONFOSSA-N 0 3 354.469 4.224 40 0 FIABHN O=C(c1ccccc1Cl)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408604910 570581453 /nfs/dbraw/zinc/58/14/53/570581453.db2.gz FUPCFROMGOZMAW-UHFFFAOYSA-N 0 3 354.881 4.003 40 0 FIABHN CN(C)CCNc1nc(Nc2ccc(F)cc2F)cc(-c2ccccc2)n1 ZINC000242694860 570609060 /nfs/dbraw/zinc/60/90/60/570609060.db2.gz CXRFSKZEOKZOGW-UHFFFAOYSA-N 0 3 369.419 4.139 40 0 FIABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 ZINC000006517629 570648278 /nfs/dbraw/zinc/64/82/78/570648278.db2.gz AQRFNHLFTHNRHM-LFYBBSHMSA-N 0 3 369.896 4.134 40 0 FIABHN COc1c(Br)cc(Br)cc1CNC(C)(C)C ZINC000006882522 570656192 /nfs/dbraw/zinc/65/61/92/570656192.db2.gz PMXBHSSZXAZQDW-UHFFFAOYSA-N 0 3 351.082 4.108 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2c(C)oc3ccccc32)CC1 ZINC000012328154 570737318 /nfs/dbraw/zinc/73/73/18/570737318.db2.gz JNTLSMHYWHICFJ-UHFFFAOYSA-N 0 3 351.446 4.233 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2[nH]c3ccc(C)cc3c2C)CC1 ZINC000012344587 570738180 /nfs/dbraw/zinc/73/81/80/570738180.db2.gz YBDZASSWAPEPNW-UHFFFAOYSA-N 0 3 364.489 4.277 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000224530903 570992292 /nfs/dbraw/zinc/99/22/92/570992292.db2.gz AXAUYVUWWMPKIZ-IBGZPJMESA-N 0 3 350.506 4.127 40 0 FIABHN O=C(Cc1cccc(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000224851002 571002647 /nfs/dbraw/zinc/00/26/47/571002647.db2.gz WVWWUKAZQPHYPM-UHFFFAOYSA-N 0 3 356.897 4.185 40 0 FIABHN COc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220806 571028004 /nfs/dbraw/zinc/02/80/04/571028004.db2.gz LFGMAQSGUKMIMQ-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN COc1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000028221086 571028036 /nfs/dbraw/zinc/02/80/36/571028036.db2.gz QHRXSLQARVPYFM-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225618485 571050155 /nfs/dbraw/zinc/05/01/55/571050155.db2.gz ZGAMDFUJBBDHKQ-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN CCCO[C@](C)(C(=O)Nc1ccc(OCCN2CCCCC2)cc1)C1CC1 ZINC000225671885 571054343 /nfs/dbraw/zinc/05/43/43/571054343.db2.gz SSPSMPACPVFOGS-QFIPXVFZSA-N 0 3 374.525 4.085 40 0 FIABHN CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225698832 571057031 /nfs/dbraw/zinc/05/70/31/571057031.db2.gz CKUAEIIIYKORFN-OAQYLSRUSA-N 0 3 362.514 4.085 40 0 FIABHN CN1CCC(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CC1 ZINC000225799845 571067182 /nfs/dbraw/zinc/06/71/82/571067182.db2.gz ZVXKQFLBPTYLOG-UHFFFAOYSA-N 0 3 371.575 4.360 40 0 FIABHN O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000225901202 571078757 /nfs/dbraw/zinc/07/87/57/571078757.db2.gz MSCCLSBGKPKVPH-MRXNPFEDSA-N 0 3 351.475 4.147 40 0 FIABHN COc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904727 571078790 /nfs/dbraw/zinc/07/87/90/571078790.db2.gz XROCPUNIFKMKOC-KRWDZBQOSA-N 0 3 372.896 4.224 40 0 FIABHN O=C(NCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038857401 571088444 /nfs/dbraw/zinc/08/84/44/571088444.db2.gz BWECIMPOKJOUBX-QGZVFWFLSA-N 0 3 360.860 4.008 40 0 FIABHN CCOc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044911251 571104968 /nfs/dbraw/zinc/10/49/68/571104968.db2.gz OFUKIYFVLJPRAF-QGZVFWFLSA-N 0 3 356.441 4.075 40 0 FIABHN CCCN1CCCC[C@@H]1Cc1c2ccccc2sc1C(=O)NCCOC ZINC000072370383 571185144 /nfs/dbraw/zinc/18/51/44/571185144.db2.gz OUVKQPKMPCPJIJ-MRXNPFEDSA-N 0 3 374.550 4.085 40 0 FIABHN Cc1cccnc1Nc1cncc(C2CCN(Cc3ccccc3)CC2)n1 ZINC000257338533 223070736 /nfs/dbraw/zinc/07/07/36/223070736.db2.gz YXVNOROVCRWVSC-UHFFFAOYSA-N 0 3 359.477 4.303 40 0 FIABHN CC(C)(C)OC(=O)NCC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC000015021502 220142867 /nfs/dbraw/zinc/14/28/67/220142867.db2.gz UNMSZWOPUVNUIK-UHFFFAOYSA-N 0 3 352.478 4.233 40 0 FIABHN COc1c(C)cc(C(=O)N2CCC[C@@H](c3cc4c[nH]ccc-4n3)C2)cc1C ZINC000019570060 220274233 /nfs/dbraw/zinc/27/42/33/220274233.db2.gz XGBYSLMQDZPVHI-MRXNPFEDSA-N 0 3 363.461 4.208 40 0 FIABHN COc1c(C)cc(C(=O)N2CCC[C@@H](c3cc4cnccc4[nH]3)C2)cc1C ZINC000019570060 220274237 /nfs/dbraw/zinc/27/42/37/220274237.db2.gz XGBYSLMQDZPVHI-MRXNPFEDSA-N 0 3 363.461 4.208 40 0 FIABHN COc1ccc(-c2[nH]c3ncccc3c2CN(C)Cc2ccncc2)cc1 ZINC000019586601 220277364 /nfs/dbraw/zinc/27/73/64/220277364.db2.gz AXYZDZNPSXNAPG-UHFFFAOYSA-N 0 3 358.445 4.266 40 0 FIABHN O=C(Nc1ccccc1CN1CCCC1)[C@H](c1ccccc1)N1CCCC1 ZINC000019659573 220283755 /nfs/dbraw/zinc/28/37/55/220283755.db2.gz HYIAZDOMVJLPAF-QFIPXVFZSA-N 0 3 363.505 4.058 40 0 FIABHN O=C(CCSc1ccccc1)NCc1ccccc1CN1CCCCC1 ZINC000030551622 220620267 /nfs/dbraw/zinc/62/02/67/220620267.db2.gz KMDYPKQYNWCAGS-UHFFFAOYSA-N 0 3 368.546 4.471 40 0 FIABHN Cc1ccc(CN2CCc3ncnc(-c4ccc(F)cc4)c3CC2)s1 ZINC000096058701 222006502 /nfs/dbraw/zinc/00/65/02/222006502.db2.gz WPDMUQIBBWVIKD-UHFFFAOYSA-N 0 3 353.466 4.253 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)c1 ZINC000039750334 263399280 /nfs/dbraw/zinc/39/92/80/263399280.db2.gz LAQLTGCCMZTOAW-UHFFFAOYSA-N 0 3 368.496 4.095 40 0 FIABHN Fc1ccc(CN2C[C@@H]3Cc4cnc(Nc5ccccc5)nc4[C@H]3C2)cc1 ZINC000306131148 534465766 /nfs/dbraw/zinc/46/57/66/534465766.db2.gz JXUSTSWZHHXBMD-PXNSSMCTSA-N 0 3 360.436 4.131 40 0 FIABHN CCOc1ccccc1CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020035181 521500503 /nfs/dbraw/zinc/50/05/03/521500503.db2.gz APPKBGNKAGPWKH-UHFFFAOYSA-N 0 3 366.505 4.247 40 0 FIABHN Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020039560 525423272 /nfs/dbraw/zinc/42/32/72/525423272.db2.gz XBPXVLPROVBDEL-UHFFFAOYSA-N 0 3 366.505 4.036 40 0 FIABHN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2cccc3ccccc32)nc1 ZINC000257251595 526814711 /nfs/dbraw/zinc/81/47/11/526814711.db2.gz JRKLXFGOARQQOI-QHCPKHFHSA-N 0 3 359.473 4.208 40 0 FIABHN CC(C)N1CCC[C@@H](c2cccc(N3CC4(CCCCC4)OC3=O)n2)C1 ZINC000257206111 529019631 /nfs/dbraw/zinc/01/96/31/529019631.db2.gz BBXBGMPSAQHMMK-QGZVFWFLSA-N 0 3 357.498 4.329 40 0 FIABHN CSc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000408612258 570581296 /nfs/dbraw/zinc/58/12/96/570581296.db2.gz VBXAOLKRMVMGFX-UHFFFAOYSA-N 0 3 366.530 4.071 40 0 FIABHN CCN(CC)CCOC(=O)[C@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C ZINC000005047934 570619234 /nfs/dbraw/zinc/61/92/34/570619234.db2.gz QLRZGUBJCXPDGG-SPEDKVCISA-N 0 3 367.574 4.255 40 0 FIABHN CCc1cc2cc(OC)c(OC)cc2nc1SCCN1CCCCC1 ZINC000004858667 570671429 /nfs/dbraw/zinc/67/14/29/570671429.db2.gz XWIJWDOJVFHKBG-UHFFFAOYSA-N 0 3 360.523 4.392 40 0 FIABHN CC[C@@H](CO)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008326382 570680354 /nfs/dbraw/zinc/68/03/54/570680354.db2.gz IUAGYMHVMUIQSI-INIZCTEOSA-N 0 3 354.277 4.433 40 0 FIABHN CC[C@H](CO)NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000008337113 570680861 /nfs/dbraw/zinc/68/08/61/570680861.db2.gz IUAGYMHVMUIQSI-MRXNPFEDSA-N 0 3 354.277 4.433 40 0 FIABHN O[C@@]1(c2ccc(F)cc2)CCCN(Cc2c[nH]nc2-c2cccs2)CC1 ZINC000012143578 570721817 /nfs/dbraw/zinc/72/18/17/570721817.db2.gz QOSQEVMEQRHQLW-FQEVSTJZSA-N 0 3 371.481 4.151 40 0 FIABHN COc1ccc(CN(Cc2c(C)oc3ccccc32)C[C@H](C)O)cc1OC ZINC000012185529 570724739 /nfs/dbraw/zinc/72/47/39/570724739.db2.gz IGBGSHSQATVZLB-HNNXBMFYSA-N 0 3 369.461 4.141 40 0 FIABHN COc1cc(CN2CCC(c3cc4ncccc4cn3)CC2)cc(OC)c1 ZINC000012188677 570725284 /nfs/dbraw/zinc/72/52/84/570725284.db2.gz KJEUKRLUJJQJGA-UHFFFAOYSA-N 0 3 363.461 4.027 40 0 FIABHN FC(F)(F)c1ccccc1CN1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012221867 570728941 /nfs/dbraw/zinc/72/89/41/570728941.db2.gz GYZVAJDCBQZUEF-UHFFFAOYSA-N 0 3 360.383 4.356 40 0 FIABHN COCCn1cc(CNC2(c3ccc(OC)cc3)CC2)c2ccccc21 ZINC000012238656 570730543 /nfs/dbraw/zinc/73/05/43/570730543.db2.gz LJNGANKDMOMGNO-UHFFFAOYSA-N 0 3 350.462 4.075 40 0 FIABHN O=C(C1CCCCC1)N1CCCc2cc([C@H](O)CN3CCCCC3)ccc21 ZINC000012291535 570732391 /nfs/dbraw/zinc/73/23/91/570732391.db2.gz RKZKJGOZRZTSJS-JOCHJYFZSA-N 0 3 370.537 4.065 40 0 FIABHN CCCc1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)s1 ZINC000012330699 570737407 /nfs/dbraw/zinc/73/74/07/570737407.db2.gz MZZCXFAGFUQPML-UHFFFAOYSA-N 0 3 374.525 4.467 40 0 FIABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCC2)cc1 ZINC000225512494 571041715 /nfs/dbraw/zinc/04/17/15/571041715.db2.gz AZSGITSGBUPGSY-UHFFFAOYSA-N 0 3 366.505 4.386 40 0 FIABHN CCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714696 571058503 /nfs/dbraw/zinc/05/85/03/571058503.db2.gz DKEJASXHTQGJHX-GCJKJVERSA-N 0 3 374.525 4.085 40 0 FIABHN O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848602 571087872 /nfs/dbraw/zinc/08/78/72/571087872.db2.gz WCMMBMMICGFYIJ-QGZVFWFLSA-N 0 3 360.860 4.008 40 0 FIABHN CC(C)c1nccn1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072379068 571187311 /nfs/dbraw/zinc/18/73/11/571187311.db2.gz BAHRSIPDOSGRBL-IBGZPJMESA-N 0 3 361.493 4.165 40 0 FIABHN CNc1cc(CN(C)CCC2=C(C)CCCC2(C)C)nc([C@@H]2CCCN2)n1 ZINC000019760756 571327222 /nfs/dbraw/zinc/32/72/22/571327222.db2.gz NFTXFLPREKVANC-IBGZPJMESA-N 0 3 371.573 4.291 40 0 FIABHN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000223191580 222768231 /nfs/dbraw/zinc/76/82/31/222768231.db2.gz CLQUZNHKDGTLGM-GOSISDBHSA-N 0 3 366.505 4.093 40 0 FIABHN CCN(CC)CCOC(=O)C(OC(C)C)(c1ccccc1)c1ccccc1 ZINC000001608962 219412581 /nfs/dbraw/zinc/41/25/81/219412581.db2.gz UXCDAGQOMQKUDH-UHFFFAOYSA-N 0 3 369.505 4.240 40 0 FIABHN Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(CN3CCCC3)c2)s1 ZINC000257244403 223034310 /nfs/dbraw/zinc/03/43/10/223034310.db2.gz ILCZIUJZURCYFM-SFHVURJKSA-N 0 3 355.507 4.025 40 0 FIABHN Cc1nc2c(n1C(C)C)CN(Cc1cccc(C)c1)CC21CCN(C)CC1 ZINC000306125862 223107262 /nfs/dbraw/zinc/10/72/62/223107262.db2.gz DDYZIOCTXFNODW-UHFFFAOYSA-N 0 3 366.553 4.060 40 0 FIABHN COc1cccc(CN2CCC(c3nnc(-c4sccc4C)o3)CC2)c1 ZINC000019238726 220242600 /nfs/dbraw/zinc/24/26/00/220242600.db2.gz PEHSANYCIOHLHA-UHFFFAOYSA-N 0 3 369.490 4.495 40 0 FIABHN Cc1ccsc1CN(Cc1cccc(Oc2ncccn2)c1)C[C@H](C)O ZINC000019238594 220242840 /nfs/dbraw/zinc/24/28/40/220242840.db2.gz GDRAHUQFNOFUEK-INIZCTEOSA-N 0 3 369.490 4.022 40 0 FIABHN c1ccc2c(CN3CCC(c4nnc(-c5cccnc5)o4)CC3)ccnc2c1 ZINC000019376071 220255699 /nfs/dbraw/zinc/25/56/99/220255699.db2.gz YBPLTLWAJFYHSR-UHFFFAOYSA-N 0 3 371.444 4.059 40 0 FIABHN C[C@@H](CCN1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000019455719 220257078 /nfs/dbraw/zinc/25/70/78/220257078.db2.gz XMIGJZFWLPJIND-AVRDEDQJSA-N 0 3 364.537 4.185 40 0 FIABHN CN(C)CCNCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000022075921 220377092 /nfs/dbraw/zinc/37/70/92/220377092.db2.gz KOBASWSXCLAJAF-UHFFFAOYSA-N 0 3 352.453 4.209 40 0 FIABHN O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCCC2)cc1 ZINC000067508821 221257933 /nfs/dbraw/zinc/25/79/33/221257933.db2.gz PRBGVVRMCWBLFH-UHFFFAOYSA-N 0 3 364.474 4.053 40 0 FIABHN Cc1cc(N2CCNCC2)c2c(Cl)ccc(Oc3ccccc3)c2n1 ZINC000225322296 132284390 /nfs/dbraw/zinc/28/43/90/132284390.db2.gz NZRWUUJRHOTICF-UHFFFAOYSA-N 0 3 353.853 4.399 40 0 FIABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000329051450 132372999 /nfs/dbraw/zinc/37/29/99/132372999.db2.gz UXNBUXWWVOXGHU-HNNXBMFYSA-N 0 3 366.509 4.146 40 0 FIABHN Fc1ccc(Cc2cnc([C@H]3CCCN(Cc4cccnc4)C3)o2)cc1 ZINC000257343380 534473445 /nfs/dbraw/zinc/47/34/45/534473445.db2.gz ZSSVVIFEBXWPLT-SFHVURJKSA-N 0 3 351.425 4.179 40 0 FIABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1cccc(Cl)c1 ZINC000585288785 570495073 /nfs/dbraw/zinc/49/50/73/570495073.db2.gz JBPCUFIORPAVLP-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1ccc(Cl)cc1 ZINC000585289715 570495507 /nfs/dbraw/zinc/49/55/07/570495507.db2.gz VXQIQQQJZWGAEH-IPMKNSEASA-N 0 3 366.288 4.444 40 0 FIABHN O=C(c1ccccc1Cl)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613038 570581773 /nfs/dbraw/zinc/58/17/73/570581773.db2.gz WPSMVJPQHIKWHI-GOSISDBHSA-N 0 3 354.881 4.003 40 0 FIABHN CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccccc1 ZINC000008326291 570680267 /nfs/dbraw/zinc/68/02/67/570680267.db2.gz NCRQKIDEBDZCKR-KRWDZBQOSA-N 0 3 363.885 4.178 40 0 FIABHN OC1(c2ccccc2F)C[C@H]2CC[C@@H](C1)N2CCCOc1ccccc1 ZINC000012144504 570722552 /nfs/dbraw/zinc/72/25/52/570722552.db2.gz GDJZQDGBGLRMFP-VSOVRNOCSA-N 0 3 355.453 4.109 40 0 FIABHN COc1ccc(C2(NCc3ccc(N4CCCC4=O)cc3)CCCC2)cc1 ZINC000012292759 570732227 /nfs/dbraw/zinc/73/22/27/570732227.db2.gz VLPKMCDAUWXTGO-UHFFFAOYSA-N 0 3 364.489 4.381 40 0 FIABHN COc1cccc(-c2ccc(CN3CCC(O)(c4cccnc4)CC3)cc2)c1 ZINC000012363698 570738583 /nfs/dbraw/zinc/73/85/83/570738583.db2.gz OWIIXDYUCJUMHL-UHFFFAOYSA-N 0 3 374.484 4.241 40 0 FIABHN CC(C)(C)C(=O)N1CCCc2cc([C@@H](O)CN3CCCC(C)(C)C3)ccc21 ZINC000019461211 570890287 /nfs/dbraw/zinc/89/02/87/570890287.db2.gz VJYIDIHFEJATLQ-FQEVSTJZSA-N 0 3 372.553 4.167 40 0 FIABHN COCc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000224332206 570985214 /nfs/dbraw/zinc/98/52/14/570985214.db2.gz TVVNOPNNUGXONR-UHFFFAOYSA-N 0 3 352.478 4.317 40 0 FIABHN Cc1ccc(NC(=S)NC2CCN(Cc3cccs3)CC2)c(C)c1 ZINC000225229560 571022977 /nfs/dbraw/zinc/02/29/77/571022977.db2.gz JKDGFMOOCHDTTJ-UHFFFAOYSA-N 0 3 359.564 4.316 40 0 FIABHN CSc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039755237 571025117 /nfs/dbraw/zinc/02/51/17/571025117.db2.gz RLRLCIXKCJZIMB-UHFFFAOYSA-N 0 3 358.482 4.398 40 0 FIABHN CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225738362 571060873 /nfs/dbraw/zinc/06/08/73/571060873.db2.gz BROLPPWTPNLMRB-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN CN(C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc(F)cc1 ZINC000225904749 571078751 /nfs/dbraw/zinc/07/87/51/571078751.db2.gz UBXGEPXOEDKQQA-MRXNPFEDSA-N 0 3 360.860 4.354 40 0 FIABHN COc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000225904705 571078826 /nfs/dbraw/zinc/07/88/26/571078826.db2.gz XROCPUNIFKMKOC-QGZVFWFLSA-N 0 3 372.896 4.224 40 0 FIABHN CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834296 571086966 /nfs/dbraw/zinc/08/69/66/571086966.db2.gz LTVHZMCCZHWTKY-QGZVFWFLSA-N 0 3 356.441 4.075 40 0 FIABHN Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cn1 ZINC000072349954 571181370 /nfs/dbraw/zinc/18/13/70/571181370.db2.gz NBJDWOUCJATGIC-SFHVURJKSA-N 0 3 350.441 4.001 40 0 FIABHN Cc1cccc(Cc2cccc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072349973 571181452 /nfs/dbraw/zinc/18/14/52/571181452.db2.gz VCBQYTBLPPVWGT-NRFANRHFSA-N 0 3 360.505 4.094 40 0 FIABHN COc1ccc(CN2CCCC[C@H]2c2nc(N)ncc2-c2ccccc2)cc1 ZINC000072376772 571186020 /nfs/dbraw/zinc/18/60/20/571186020.db2.gz MQHWPEWUECQJTB-NRFANRHFSA-N 0 3 374.488 4.462 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000009063170 571302476 /nfs/dbraw/zinc/30/24/76/571302476.db2.gz QRKWYHSOQJADHB-UHFFFAOYSA-N 0 3 366.549 4.292 40 0 FIABHN O=C(NCCSCc1ccccc1)c1ccc(CN2CCCCC2)cc1 ZINC000010332049 571303105 /nfs/dbraw/zinc/30/31/05/571303105.db2.gz LPEQZXLPSWASHG-UHFFFAOYSA-N 0 3 368.546 4.336 40 0 FIABHN O=C(c1ccc(-c2ccccc2)cc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000000779611 219318998 /nfs/dbraw/zinc/31/89/98/219318998.db2.gz GYMULKBMDCZDSX-NMNUPHIUSA-N 0 3 360.501 4.300 40 0 FIABHN Cc1cccc(OCCNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000224331178 222811487 /nfs/dbraw/zinc/81/14/87/222811487.db2.gz ODOAKLIQGOPTIA-UHFFFAOYSA-N 0 3 366.505 4.036 40 0 FIABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc2ccccc21 ZINC000008254621 291080692 /nfs/dbraw/zinc/08/06/92/291080692.db2.gz AHIFZBURPWSUTA-RYQLBKOJSA-N 0 3 353.535 4.247 40 0 biogenic,in-vitro FIABHN c1ccc(CCCN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)cc1 ZINC000013989750 220100096 /nfs/dbraw/zinc/10/00/96/220100096.db2.gz OFLVGWYEAWTPSX-UHFFFAOYSA-N 0 3 360.457 4.445 40 0 FIABHN Cc1ccc(OCCN(C)Cc2c3cccnc3[nH]c2[C@H]2CCCO2)cc1 ZINC000019211063 220238805 /nfs/dbraw/zinc/23/88/05/220238805.db2.gz YKNFPKVGLIXEIN-HXUWFJFHSA-N 0 3 365.477 4.234 40 0 FIABHN COc1cc(CN2CC[C@](O)(c3ccccc3)C2)ccc1OC1CCCC1 ZINC000019550129 220271903 /nfs/dbraw/zinc/27/19/03/220271903.db2.gz LVUIPOZXMFASPQ-HSZRJFAPSA-N 0 3 367.489 4.110 40 0 FIABHN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2CC2CC2)cc1 ZINC000019694469 220285169 /nfs/dbraw/zinc/28/51/69/220285169.db2.gz KZEMFLYGZIFXGB-FQEVSTJZSA-N 0 3 366.509 4.155 40 0 FIABHN CCN(CC)Cc1ccccc1NC(=O)c1cn2cc(Cl)ccc2n1 ZINC000019716793 220290409 /nfs/dbraw/zinc/29/04/09/220290409.db2.gz QDQNKGMGAQCOSY-UHFFFAOYSA-N 0 3 356.857 4.082 40 0 FIABHN CCCNC(=O)[C@@H]1Cc2cn(CC3CC3)c3cccc(c23)[C@H](CC(C)C)N1 ZINC000049171558 221020542 /nfs/dbraw/zinc/02/05/42/221020542.db2.gz SWFYHRVMAQWAHY-PMACEKPBSA-N 0 3 367.537 4.179 40 0 biogenic,in-vitro FIABHN c1ccc(-c2nnc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)o2)cc1 ZINC000049169290 221021208 /nfs/dbraw/zinc/02/12/08/221021208.db2.gz WIJDNZCYTCRHJZ-IBGZPJMESA-N 0 3 356.429 4.274 40 0 biogenic,in-vitro FIABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306125526 533371049 /nfs/dbraw/zinc/37/10/49/533371049.db2.gz CTFTUZIRNSJHEF-SFHVURJKSA-N 0 3 362.477 4.137 40 0 FIABHN Cc1nc(NC(C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)n1 ZINC000328965219 132371778 /nfs/dbraw/zinc/37/17/78/132371778.db2.gz CASAOXMOTNKRJK-UHFFFAOYSA-N 0 3 366.387 4.067 40 0 FIABHN CC(=O)N1CCC2(CC1)C[C@H](NCc1ccc(C)s1)c1ccccc1O2 ZINC000096242680 222097180 /nfs/dbraw/zinc/09/71/80/222097180.db2.gz MOOKGGDANWBIIK-IBGZPJMESA-N 0 3 370.518 4.051 40 0 FIABHN COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCCN(C)C)cc1 ZINC000103391652 222335538 /nfs/dbraw/zinc/33/55/38/222335538.db2.gz POVGDMXEDGPTGA-QURGRASLSA-N 0 3 367.518 4.409 40 0 FIABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4cccs4)C2)OC3)cc1 ZINC000306130794 534196803 /nfs/dbraw/zinc/19/68/03/534196803.db2.gz JPRHDBHXYVCDAO-NRFANRHFSA-N 0 3 365.502 4.095 40 0 FIABHN Fc1cccc(-c2ccc3nc([C@H]4CCCN(CC5CC5)C4)nn3c2)c1 ZINC000306143440 534513658 /nfs/dbraw/zinc/51/36/58/534513658.db2.gz YCHAMSXZXKLQJI-SFHVURJKSA-N 0 3 350.441 4.125 40 0 FIABHN CC(C)Cn1cnc2c1C1(CCN(C3CCC3)CC1)Oc1ccccc1-2 ZINC000306133566 528742103 /nfs/dbraw/zinc/74/21/03/528742103.db2.gz MPRVIVPHBKSDFC-UHFFFAOYSA-N 0 3 351.494 4.442 40 0 FIABHN c1csc(Nc2cccc(CC3CCN(Cc4cccnc4)CC3)n2)n1 ZINC000585262516 570481275 /nfs/dbraw/zinc/48/12/75/570481275.db2.gz CQWXGTVWJHGYDK-UHFFFAOYSA-N 0 3 365.506 4.131 40 0 FIABHN c1csc(Nc2cccc(CC3CCN(Cc4ccncc4)CC3)n2)n1 ZINC000585262675 570481512 /nfs/dbraw/zinc/48/15/12/570481512.db2.gz RGZYLHLWWPESQA-UHFFFAOYSA-N 0 3 365.506 4.131 40 0 FIABHN O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1NCc1cc(F)cc(F)c1 ZINC000585290656 570496381 /nfs/dbraw/zinc/49/63/81/570496381.db2.gz ZNNSWWDQPCWDFM-IPMKNSEASA-N 0 3 367.823 4.069 40 0 FIABHN CN(C)CC(CN(C)C)C(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000001607910 570503190 /nfs/dbraw/zinc/50/31/90/570503190.db2.gz ISNJZZHGBBQZJI-UHFFFAOYSA-N 0 3 360.885 4.054 40 0 FIABHN COc1ccc(-c2noc([C@H]3CCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000072369918 570546890 /nfs/dbraw/zinc/54/68/90/570546890.db2.gz GRTWBYWJLCFBMD-INIZCTEOSA-N 0 3 369.852 4.388 40 0 FIABHN O=C(c1ccccc1Cl)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613039 570581939 /nfs/dbraw/zinc/58/19/39/570581939.db2.gz WPSMVJPQHIKWHI-SFHVURJKSA-N 0 3 354.881 4.003 40 0 FIABHN Fc1ccc(NC(=S)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007404770 570663823 /nfs/dbraw/zinc/66/38/23/570663823.db2.gz LCNQHAUYJSGXME-UHFFFAOYSA-N 0 3 357.498 4.298 40 0 FIABHN CCOCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008253203 570678983 /nfs/dbraw/zinc/67/89/83/570678983.db2.gz FTBZGSJZSGRTOT-UHFFFAOYSA-N 0 3 363.885 4.444 40 0 FIABHN CCOc1cc(CNC(C)(C)CO)ccc1OCc1ccccc1Cl ZINC000008254674 570679148 /nfs/dbraw/zinc/67/91/48/570679148.db2.gz DGMDSWMBFQUBPQ-UHFFFAOYSA-N 0 3 363.885 4.178 40 0 FIABHN CC[C@H](CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000008327055 570680229 /nfs/dbraw/zinc/68/02/29/570680229.db2.gz ORNXCRVNQWNPLJ-QGZVFWFLSA-N 0 3 354.277 4.433 40 0 FIABHN COc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008497894 570682305 /nfs/dbraw/zinc/68/23/05/570682305.db2.gz GMYOMDAJUSBARI-LBPRGKRZSA-N 0 3 370.276 4.051 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2oc3ccccc3c2C)CC1 ZINC000012328434 570737282 /nfs/dbraw/zinc/73/72/82/570737282.db2.gz NAHLBLPCXLRGDK-UHFFFAOYSA-N 0 3 351.446 4.233 40 0 FIABHN CSc1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063623 570797690 /nfs/dbraw/zinc/79/76/90/570797690.db2.gz HEUWBUJXRKVSQM-UHFFFAOYSA-N 0 3 358.482 4.398 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NCCSc3ccccc3)CC2)c1 ZINC000009063008 570802763 /nfs/dbraw/zinc/80/27/63/570802763.db2.gz NBDKGRFDZPNAAG-UHFFFAOYSA-N 0 3 368.546 4.116 40 0 FIABHN CC(C)(C)C(=O)N1CCCc2cc([C@H](O)CN3CCCC(C)(C)C3)ccc21 ZINC000019461213 570890203 /nfs/dbraw/zinc/89/02/03/570890203.db2.gz VJYIDIHFEJATLQ-HXUWFJFHSA-N 0 3 372.553 4.167 40 0 FIABHN CCc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000224096050 570977082 /nfs/dbraw/zinc/97/70/82/570977082.db2.gz AAEAZUFTYLEAGY-UHFFFAOYSA-N 0 3 366.505 4.044 40 0 FIABHN CC(C)Oc1ccccc1C(=O)NCc1ccccc1CN1CCCCC1 ZINC000224841613 571002329 /nfs/dbraw/zinc/00/23/29/571002329.db2.gz SBVBOSZLLVENQY-UHFFFAOYSA-N 0 3 366.505 4.390 40 0 FIABHN C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220902 571027989 /nfs/dbraw/zinc/02/79/89/571027989.db2.gz HLSOLTMMQBGQND-VQIMIIECSA-N 0 3 356.897 4.429 40 0 FIABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000030756491 571049819 /nfs/dbraw/zinc/04/98/19/571049819.db2.gz CMEKZMQWLZGGFR-KRWDZBQOSA-N 0 3 352.478 4.172 40 0 FIABHN O=C1OC2=C(CCCCC2)[C@@H](N2CCCCC2)C12SCCCS2 ZINC000031759458 571055653 /nfs/dbraw/zinc/05/56/53/571055653.db2.gz LOXJREIATMNLGB-MRXNPFEDSA-N 0 3 353.553 4.182 40 0 FIABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000038771955 571086782 /nfs/dbraw/zinc/08/67/82/571086782.db2.gz YPJRZXBFOZQKNE-SFHVURJKSA-N 0 3 366.505 4.418 40 0 FIABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 ZINC000038835856 571087582 /nfs/dbraw/zinc/08/75/82/571087582.db2.gz JZGPOQCJYSGGSE-HXUWFJFHSA-N 0 3 368.908 4.137 40 0 FIABHN COc1ccccc1CCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000044906700 571104429 /nfs/dbraw/zinc/10/44/29/571104429.db2.gz AOPACGKBACYQFQ-UHFFFAOYSA-N 0 3 366.505 4.044 40 0 FIABHN Cc1nccc(-c2ccc(-c3noc(CNC4CCCCCC4)n3)cc2)n1 ZINC000072339983 571179315 /nfs/dbraw/zinc/17/93/15/571179315.db2.gz MDKIYIPOOREMAJ-UHFFFAOYSA-N 0 3 363.465 4.314 40 0 FIABHN COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348823 571180215 /nfs/dbraw/zinc/18/02/15/571180215.db2.gz LYONUDKCBQWRCL-OAQYLSRUSA-N 0 3 373.500 4.456 40 0 FIABHN COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348861 571180543 /nfs/dbraw/zinc/18/05/43/571180543.db2.gz DMPADAJIEMLWRE-OAQYLSRUSA-N 0 3 373.500 4.456 40 0 FIABHN COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348951 571180568 /nfs/dbraw/zinc/18/05/68/571180568.db2.gz PCFUQPDIGOAMSK-FQEVSTJZSA-N 0 3 373.500 4.456 40 0 FIABHN COc1cccc(-c2noc([C@@H]3CCN(Cc4cccc(Cl)c4)C3)n2)c1 ZINC000072369881 571185112 /nfs/dbraw/zinc/18/51/12/571185112.db2.gz XYMSUZGJQPIXCI-MRXNPFEDSA-N 0 3 369.852 4.388 40 0 FIABHN CCc1nccn1-c1cccc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)n1 ZINC000072379077 571187384 /nfs/dbraw/zinc/18/73/84/571187384.db2.gz ZUANFGFBVZMUHF-GOSISDBHSA-N 0 3 364.468 4.348 40 0 FIABHN COc1cccc(CN2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c1 ZINC000072390082 571189635 /nfs/dbraw/zinc/18/96/35/571189635.db2.gz ODVDVFNUBJSFBH-OAHLLOKOSA-N 0 3 355.463 4.186 40 0 FIABHN c1csc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)c1 ZINC000585105238 571224446 /nfs/dbraw/zinc/22/44/46/571224446.db2.gz RGPQAIKCCSFPHQ-LJQANCHMSA-N 0 3 372.534 4.121 40 0 FIABHN CCCCN1CC=C(c2nn3c(nnc3-c3cccc(C)c3)s2)CC1 ZINC000226250770 571276219 /nfs/dbraw/zinc/27/62/19/571276219.db2.gz PNPITXYCCAFNGG-UHFFFAOYSA-N 0 3 353.495 4.050 40 0 FIABHN C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccccc1Br ZINC000012362942 571294245 /nfs/dbraw/zinc/29/42/45/571294245.db2.gz NTTBMJIADQIFRG-IHRRRGAJSA-N 0 3 354.288 4.257 40 0 FIABHN O=C(Nc1ccccc1Br)c1ccc(CN2CCCC2)cc1 ZINC000010331748 571303108 /nfs/dbraw/zinc/30/31/08/571303108.db2.gz MLLVYCILCGHORK-UHFFFAOYSA-N 0 3 359.267 4.297 40 0 FIABHN CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCCN2)n1 ZINC000257281165 529806060 /nfs/dbraw/zinc/80/60/60/529806060.db2.gz ONXOUKGJUVUQTQ-HNNXBMFYSA-N 0 3 350.388 4.043 40 0 FIABHN Cc1cc(-c2nccs2)nc(C2CCN(Cc3ccc(F)cc3)CC2)n1 ZINC000019118670 220235321 /nfs/dbraw/zinc/23/53/21/220235321.db2.gz KSHCNKCGRROBKZ-UHFFFAOYSA-N 0 3 368.481 4.427 40 0 FIABHN Cc1ncsc1-c1nnc(C2CCN(Cc3ccccc3C)CC2)o1 ZINC000019237170 220242665 /nfs/dbraw/zinc/24/26/65/220242665.db2.gz PXVUCZCYEQTSMV-UHFFFAOYSA-N 0 3 354.479 4.190 40 0 FIABHN C[C@H](CCN1CCc2nc([C@@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000019455720 220257731 /nfs/dbraw/zinc/25/77/31/220257731.db2.gz XMIGJZFWLPJIND-GCJKJVERSA-N 0 3 364.537 4.185 40 0 FIABHN COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022075164 220376817 /nfs/dbraw/zinc/37/68/17/220376817.db2.gz JYDRBZVXKGZYLB-NRFANRHFSA-N 0 3 363.457 4.097 40 0 FIABHN Clc1ccc(CN2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)cc1 ZINC000049169807 221020088 /nfs/dbraw/zinc/02/00/88/221020088.db2.gz CONIZEPHDNMJMJ-KRWDZBQOSA-N 0 3 353.853 4.303 40 0 biogenic,in-vitro FIABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(Cl)cc3)C2)o1 ZINC000049169993 221020613 /nfs/dbraw/zinc/02/06/13/221020613.db2.gz BGSMZKUCSBQTTB-HNNXBMFYSA-N 0 3 369.852 4.388 40 0 biogenic,in-vitro FIABHN Cc1ccc(CN2CCC3(C[C@@H](OCc4ccccc4)CO3)CC2)s1 ZINC000096047857 222000008 /nfs/dbraw/zinc/00/00/08/222000008.db2.gz QBVIBMMRHXUEFK-LJQANCHMSA-N 0 3 357.519 4.397 40 0 FIABHN C[C@@H](N)c1sc(Br)c(Br)c1Br ZINC000096525481 222124054 /nfs/dbraw/zinc/12/40/54/222124054.db2.gz NSBXAVICYCLWQN-UWTATZPHSA-N 0 3 363.900 4.055 40 0 FIABHN CCCCCCNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000007261047 263349708 /nfs/dbraw/zinc/34/97/08/263349708.db2.gz SYEKPFJWCRJSNP-UHFFFAOYSA-N 0 3 373.449 4.190 40 0 FIABHN COc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1Cl ZINC000032641573 263393076 /nfs/dbraw/zinc/39/30/76/263393076.db2.gz MJZJXXAPROICDH-UHFFFAOYSA-N 0 3 358.869 4.199 40 0 FIABHN COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 ZINC000039750066 263399563 /nfs/dbraw/zinc/39/95/63/263399563.db2.gz PMKRWVFGUXGPHX-GOSISDBHSA-N 0 3 366.505 4.093 40 0 FIABHN Fc1ccc(CN2C[C@H]3Cc4cnc(Nc5ccccc5)nc4[C@@H]3C2)cc1 ZINC000306131150 534464918 /nfs/dbraw/zinc/46/49/18/534464918.db2.gz JXUSTSWZHHXBMD-YLJYHZDGSA-N 0 3 360.436 4.131 40 0 FIABHN COc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000001377874 570652291 /nfs/dbraw/zinc/65/22/91/570652291.db2.gz ZUXJTOIUGBYYCU-ALOPSCKCSA-N 0 3 370.518 4.072 40 0 FIABHN CC[C@@H](CO)NCc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000008326247 570680280 /nfs/dbraw/zinc/68/02/80/570680280.db2.gz RWOXUULJHXUMOH-IBGZPJMESA-N 0 3 353.437 4.418 40 0 FIABHN CN(Cc1ccc2ncccc2c1)Cc1cc(-c2ccc(F)cc2)c[nH]c1=O ZINC000012144079 570722181 /nfs/dbraw/zinc/72/21/81/570722181.db2.gz ZVIARANQLMXGTO-UHFFFAOYSA-N 0 3 373.431 4.361 40 0 FIABHN COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(C)s1 ZINC000012147001 570722790 /nfs/dbraw/zinc/72/27/90/570722790.db2.gz WDHPGWMLSVPDOB-UHFFFAOYSA-N 0 3 355.507 4.354 40 0 FIABHN O=C(NCCN1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000013717293 570786429 /nfs/dbraw/zinc/78/64/29/570786429.db2.gz KGBAXSJTPZPKIU-UHFFFAOYSA-N 0 3 353.491 4.485 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NCCc3ccc(Cl)cc3)CC2)c1 ZINC000224528054 570992383 /nfs/dbraw/zinc/99/23/83/570992383.db2.gz RNLLIOCVBZFYEP-UHFFFAOYSA-N 0 3 370.924 4.219 40 0 FIABHN CCOc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000224851295 571002669 /nfs/dbraw/zinc/00/26/69/571002669.db2.gz NWRIKRXMQPRIPN-UHFFFAOYSA-N 0 3 366.505 4.310 40 0 FIABHN CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039762765 571023392 /nfs/dbraw/zinc/02/33/92/571023392.db2.gz JKLOWVLAPPMHLQ-UHFFFAOYSA-N 0 3 370.468 4.464 40 0 FIABHN Cc1cccc(CCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000039772573 571024103 /nfs/dbraw/zinc/02/41/03/571024103.db2.gz ZBXNQKZSYPVKBD-UHFFFAOYSA-N 0 3 364.533 4.264 40 0 FIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220814 571027984 /nfs/dbraw/zinc/02/79/84/571027984.db2.gz HTRMDCTWRJAVFF-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN Cc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038848703 571087816 /nfs/dbraw/zinc/08/78/16/571087816.db2.gz XDQWHJITONPMHJ-IBGZPJMESA-N 0 3 356.897 4.177 40 0 FIABHN O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000044932968 571104779 /nfs/dbraw/zinc/10/47/79/571104779.db2.gz CABHMTIXRDPSCZ-DENIHFKCSA-N 0 3 366.480 4.232 40 0 FIABHN COc1cccc(Cc2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348950 571180559 /nfs/dbraw/zinc/18/05/59/571180559.db2.gz PCFUQPDIGOAMSK-HXUWFJFHSA-N 0 3 373.500 4.456 40 0 FIABHN COc1cccc(CN2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c1 ZINC000072390081 571189646 /nfs/dbraw/zinc/18/96/46/571189646.db2.gz ODVDVFNUBJSFBH-HNNXBMFYSA-N 0 3 355.463 4.186 40 0 FIABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 ZINC000257313529 571216002 /nfs/dbraw/zinc/21/60/02/571216002.db2.gz UTADVVGQSDLMRJ-WOIUINJBSA-N 0 3 357.542 4.187 40 0 FIABHN c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)cs1 ZINC000585104423 571224005 /nfs/dbraw/zinc/22/40/05/571224005.db2.gz IHXUZETUEOONJE-FQEVSTJZSA-N 0 3 372.534 4.121 40 0 FIABHN COc1ccc(OC[C@@H](O)CN[C@H](C)c2ccccc2)c(C(C)(C)C)c1 ZINC000002685813 571292688 /nfs/dbraw/zinc/29/26/88/571292688.db2.gz JCMGAXSQIBOSJA-AEFFLSMTSA-N 0 3 357.494 4.083 40 0 FIABHN O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCC2)cc1 ZINC000010324425 571303095 /nfs/dbraw/zinc/30/30/95/571303095.db2.gz NZHLHEXAWBMLEF-UHFFFAOYSA-N 0 3 359.267 4.297 40 0 FIABHN O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCC2)cc1 ZINC000010333161 571303165 /nfs/dbraw/zinc/30/31/65/571303165.db2.gz OKYHKBKTQDYBOS-UHFFFAOYSA-N 0 3 359.267 4.297 40 0 FIABHN C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccccc1 ZINC000038832821 571306330 /nfs/dbraw/zinc/30/63/30/571306330.db2.gz DUJMFFOAICBBPW-LPHOPBHVSA-N 0 3 356.897 4.429 40 0 FIABHN CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000009063155 1088876138 /nfs/dbraw/zinc/87/61/38/1088876138.db2.gz NJBVZGQRZLTNGX-UHFFFAOYSA-N 0 3 350.462 4.048 40 0 FIABHN Cc1c[nH]c(-c2cc(C)nc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)n2)n1 ZINC000257288721 223052696 /nfs/dbraw/zinc/05/26/96/223052696.db2.gz PVHNBEZMTCBAOU-QGZVFWFLSA-N 0 3 365.456 4.002 40 0 FIABHN Cc1ccc(NC(=S)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007404773 219804298 /nfs/dbraw/zinc/80/42/98/219804298.db2.gz FTSQRMCSQDPJKT-UHFFFAOYSA-N 0 3 353.535 4.468 40 0 FIABHN Cc1c2cc(F)ccc2[nH]c1CN1CCC(O)(c2ccc(C)cc2)CC1 ZINC000019208583 220239653 /nfs/dbraw/zinc/23/96/53/220239653.db2.gz PGEBEJIDJYEGFH-UHFFFAOYSA-N 0 3 352.453 4.407 40 0 FIABHN Cc1ccsc1CN(Cc1cccc(Oc2ncccn2)c1)C[C@@H](C)O ZINC000019238593 220243194 /nfs/dbraw/zinc/24/31/94/220243194.db2.gz GDRAHUQFNOFUEK-MRXNPFEDSA-N 0 3 369.490 4.022 40 0 FIABHN CC(C)c1ccc(CN2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 ZINC000019453214 220258570 /nfs/dbraw/zinc/25/85/70/220258570.db2.gz NAEWUFCCPMNJIB-GOSISDBHSA-N 0 3 367.493 4.070 40 0 FIABHN CCn1cc(CN2CCC(c3cc4cc(OC)c(C)cc4cn3)CC2)cn1 ZINC000019524903 220265175 /nfs/dbraw/zinc/26/51/75/220265175.db2.gz NKYYESYSPUUXMA-UHFFFAOYSA-N 0 3 364.493 4.148 40 0 FIABHN CCOc1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)ccc1OC ZINC000019531986 220269042 /nfs/dbraw/zinc/26/90/42/220269042.db2.gz KZBLALUBUGZDKA-GOSISDBHSA-N 0 3 365.477 4.350 40 0 FIABHN CN(C)CCN(Cc1cccs1)Cc1ccc(Br)s1 ZINC000019582677 220275233 /nfs/dbraw/zinc/27/52/33/220275233.db2.gz MKRLEUQMMHTLMC-UHFFFAOYSA-N 0 3 359.358 4.136 40 0 FIABHN CN(C(=O)CC1CCCC1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590846 220278174 /nfs/dbraw/zinc/27/81/74/220278174.db2.gz PJLFYPWSKNLCDY-UHFFFAOYSA-N 0 3 370.537 4.231 40 0 FIABHN Cc1nc(NC2CCCCC2)cc(N2CCc3cc([C@@H](C)O)ccc3C2)n1 ZINC000329051451 132373159 /nfs/dbraw/zinc/37/31/59/132373159.db2.gz UXNBUXWWVOXGHU-OAHLLOKOSA-N 0 3 366.509 4.146 40 0 FIABHN COc1ccc(CCNCc2ccc(-c3ccc([C@@H](C)O)cc3)o2)cc1 ZINC000007541082 263351860 /nfs/dbraw/zinc/35/18/60/263351860.db2.gz MJHXDBYSRAUFNN-MRXNPFEDSA-N 0 3 351.446 4.341 40 0 FIABHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc21 ZINC000022913887 263385790 /nfs/dbraw/zinc/38/57/90/263385790.db2.gz XIJLMMHLYCSAEG-UHFFFAOYSA-N 0 3 368.480 4.448 40 0 FIABHN Fc1cccc(-c2ccc3nc([C@H]4CCCN(C5CCC5)C4)nn3c2)c1 ZINC000306142241 534513418 /nfs/dbraw/zinc/51/34/18/534513418.db2.gz WUGLLGQBWDAHEM-KRWDZBQOSA-N 0 3 350.441 4.267 40 0 FIABHN Cc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@H](CN(C)Cc3cccnc3)C=C2C)o1 ZINC000035442636 560079771 /nfs/dbraw/zinc/07/97/71/560079771.db2.gz UXHLQCSYSLXQGJ-ACRUOGEOSA-N 0 3 368.525 4.302 40 0 biogenic,in-vitro FIABHN Fc1ccc(CN2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)cc1 ZINC000585260855 570480446 /nfs/dbraw/zinc/48/04/46/570480446.db2.gz MRDULJAXHBJNIU-INIZCTEOSA-N 0 3 369.415 4.256 40 0 FIABHN O[C@]1(COc2cccc(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)C1 ZINC000585272612 570486791 /nfs/dbraw/zinc/48/67/91/570486791.db2.gz OEQZRUWCBIJXDW-OAQYLSRUSA-N 0 3 370.880 4.227 40 0 FIABHN CCN(CC)CCOC(=O)[C@@](O)(C1CCCCC1)C1[C@@H](C)CCC[C@@H]1C ZINC000005047935 570619611 /nfs/dbraw/zinc/61/96/11/570619611.db2.gz QLRZGUBJCXPDGG-NPPFBWRTSA-N 0 3 367.574 4.255 40 0 FIABHN CCCNCc1cc(Br)cc(Br)c1OCC ZINC000007262335 570662092 /nfs/dbraw/zinc/66/20/92/570662092.db2.gz TWRXHBKIQCJMNW-UHFFFAOYSA-N 0 3 351.082 4.110 40 0 FIABHN O=C(COc1ccccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000007850155 570674328 /nfs/dbraw/zinc/67/43/28/570674328.db2.gz HXGPEQRKYADHLP-UHFFFAOYSA-N 0 3 372.896 4.021 40 0 FIABHN CCN(CC)C(=O)Cn1c(C)c(/C=C/C2=CCN(C)CC2)c2ccccc21 ZINC000004933147 570674635 /nfs/dbraw/zinc/67/46/35/570674635.db2.gz DOYMXLPGZRSIKS-VAWYXSNFSA-N 0 3 365.521 4.093 40 0 FIABHN COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl ZINC000008535078 570682787 /nfs/dbraw/zinc/68/27/87/570682787.db2.gz NSSGMQURAFCCHO-GFCCVEGCSA-N 0 3 370.276 4.051 40 0 FIABHN CCN1CCC[C@@H]1CNc1ncc(-c2ccncc2)c(-c2ccoc2C)n1 ZINC000012222129 570729517 /nfs/dbraw/zinc/72/95/17/570729517.db2.gz MCAVBWKNNZNAMZ-QGZVFWFLSA-N 0 3 363.465 4.003 40 0 FIABHN COCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008469240 570795994 /nfs/dbraw/zinc/79/59/94/570795994.db2.gz RESJVCJCTFHXJI-UHFFFAOYSA-N 0 3 370.276 4.317 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000009063114 570797210 /nfs/dbraw/zinc/79/72/10/570797210.db2.gz OGMUBAJODGZHKK-UHFFFAOYSA-N 0 3 356.897 4.177 40 0 FIABHN C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCCN(C)Cc2ccccc2)o1 ZINC000036697610 570881359 /nfs/dbraw/zinc/88/13/59/570881359.db2.gz RUPTYKLQBBRNLK-NIYJZGOVSA-N 0 3 352.478 4.055 40 0 FIABHN C[C@H](CNC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 ZINC000224331433 570985237 /nfs/dbraw/zinc/98/52/37/570985237.db2.gz CEHMWWKPRYLQKL-LJQANCHMSA-N 0 3 350.506 4.452 40 0 FIABHN CCc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000224933370 571006298 /nfs/dbraw/zinc/00/62/98/571006298.db2.gz JICMJDSKRPXHJL-LAUBAEHRSA-N 0 3 368.496 4.478 40 0 FIABHN COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000225188131 571020912 /nfs/dbraw/zinc/02/09/12/571020912.db2.gz KCGUSGNMYMIGKA-GOSISDBHSA-N 0 3 366.505 4.093 40 0 FIABHN O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCc2ccccc21 ZINC000030946781 571053313 /nfs/dbraw/zinc/05/33/13/571053313.db2.gz SSWSQGVQTKSPIH-IBGZPJMESA-N 0 3 352.453 4.017 40 0 FIABHN Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccc(F)cc2)cc1 ZINC000035290341 571076474 /nfs/dbraw/zinc/07/64/74/571076474.db2.gz FSFPNTJCKHFHHB-FRIKZZABSA-N 0 3 366.480 4.450 40 0 FIABHN Cc1ccc(OC[C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000044852959 571103109 /nfs/dbraw/zinc/10/31/09/571103109.db2.gz TXLCCXYKXUHRTN-IBGZPJMESA-N 0 3 366.505 4.178 40 0 FIABHN COc1ccccc1CN(C)C(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000044940955 571105312 /nfs/dbraw/zinc/10/53/12/571105312.db2.gz SLASZSJLKZNYQQ-UHFFFAOYSA-N 0 3 366.505 4.199 40 0 FIABHN OCc1ccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348844 571180176 /nfs/dbraw/zinc/18/01/76/571180176.db2.gz ZZTYRKAJQCDFPA-OAQYLSRUSA-N 0 3 359.473 4.016 40 0 FIABHN COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348824 571180191 /nfs/dbraw/zinc/18/01/91/571180191.db2.gz LYONUDKCBQWRCL-NRFANRHFSA-N 0 3 373.500 4.456 40 0 FIABHN Cn1cc(CN2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cn1 ZINC000072349952 571181471 /nfs/dbraw/zinc/18/14/71/571181471.db2.gz DYOIHNICOKYEGD-KRWDZBQOSA-N 0 3 350.441 4.001 40 0 FIABHN Fc1ccc(CN2CCC[C@@H](c3ccnc(Nc4ccccn4)n3)C2)cc1 ZINC000072377408 571186008 /nfs/dbraw/zinc/18/60/08/571186008.db2.gz RDAYYTAVUGXJGW-QGZVFWFLSA-N 0 3 363.440 4.134 40 0 FIABHN Cc1noc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(C(F)F)c12 ZINC000072390185 571189693 /nfs/dbraw/zinc/18/96/93/571189693.db2.gz DHZADJLRYYOJKO-CQSZACIVSA-N 0 3 358.392 4.243 40 0 FIABHN Cc1ccc2c(c1)CN(Cc1cc(F)cc(F)c1)CC1(CCN(C)CC1)O2 ZINC000072394186 571190267 /nfs/dbraw/zinc/19/02/67/571190267.db2.gz GIEBTAVZHPYROS-UHFFFAOYSA-N 0 3 372.459 4.132 40 0 FIABHN O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)N1Cc1ccccc1 ZINC000585100124 571221183 /nfs/dbraw/zinc/22/11/83/571221183.db2.gz GFEBNZLOTOPTTI-HSZRJFAPSA-N 0 3 366.480 4.373 40 0 FIABHN O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062526 571302337 /nfs/dbraw/zinc/30/23/37/571302337.db2.gz UJQDTAQPWMIUOF-UHFFFAOYSA-N 0 3 370.924 4.301 40 0 FIABHN Cc1ccc([C@H](N)c2nc(COc3ccc(C(C)(C)C)cc3)n[nH]2)cc1 ZINC000095534178 571331339 /nfs/dbraw/zinc/33/13/39/571331339.db2.gz JZJLEZPLAWROAV-IBGZPJMESA-N 0 3 350.466 4.038 40 0 FIABHN O=C(NCCN1CCCCCC1)c1ncoc1-c1ccc2ccccc2c1 ZINC000005002088 219638443 /nfs/dbraw/zinc/63/84/43/219638443.db2.gz HFUMRCVIBAGCGC-UHFFFAOYSA-N 0 3 363.461 4.101 40 0 FIABHN Cc1ccc(CC(=O)NCc2ccccc2CN2CCCCC2)cc1C ZINC000007696805 219817568 /nfs/dbraw/zinc/81/75/68/219817568.db2.gz LEEWZYUVRCZKDD-UHFFFAOYSA-N 0 3 350.506 4.148 40 0 FIABHN Fc1ccccc1CN1CCC[C@@H](c2cccc(Nc3cnccn3)n2)C1 ZINC000257329400 223068092 /nfs/dbraw/zinc/06/80/92/223068092.db2.gz XJVKBVZKACJWOK-QGZVFWFLSA-N 0 3 363.440 4.134 40 0 FIABHN Cc1ccc([C@H]2[C@H](NCc3ccccc3)CCCN2C(=O)C2CC2)s1 ZINC000019217365 220241625 /nfs/dbraw/zinc/24/16/25/220241625.db2.gz PAVJZFKITDYDIL-UYAOXDASSA-N 0 3 354.519 4.288 40 0 FIABHN Cc1ccc(CN(CCCN2CCOCC2)Cc2sccc2C)s1 ZINC000019238576 220242747 /nfs/dbraw/zinc/24/27/47/220242747.db2.gz MJKGKICUEPZEFD-UHFFFAOYSA-N 0 3 364.580 4.151 40 0 FIABHN COc1ccccc1CN1CCC[C@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000019217639 220241330 /nfs/dbraw/zinc/24/13/30/220241330.db2.gz CWHGKWVUWDWXEV-INIZCTEOSA-N 0 3 369.490 4.495 40 0 FIABHN CCC(CC)C(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019500049 220263868 /nfs/dbraw/zinc/26/38/68/220263868.db2.gz HOPMPCOOVQCKSE-UHFFFAOYSA-N 0 3 358.526 4.087 40 0 FIABHN CCCn1c(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)nc2ccccc21 ZINC000019526019 220269086 /nfs/dbraw/zinc/26/90/86/220269086.db2.gz PAIOBYWMHBNFGH-FUHWJXTLSA-N 0 3 352.482 4.244 40 0 FIABHN COc1ccccc1CN1CCC(c2nnc(-c3cccs3)o2)CC1 ZINC000019570170 220272854 /nfs/dbraw/zinc/27/28/54/220272854.db2.gz XDCGFFUGUYVHEE-UHFFFAOYSA-N 0 3 355.463 4.186 40 0 FIABHN COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000022075162 220376715 /nfs/dbraw/zinc/37/67/15/220376715.db2.gz JYDRBZVXKGZYLB-OAQYLSRUSA-N 0 3 363.457 4.097 40 0 FIABHN Fc1ccc(CN2CCC3(CCN(Cc4nccs4)CC3)CC2)cc1 ZINC000096047217 222000301 /nfs/dbraw/zinc/00/03/01/222000301.db2.gz UTENQPMMDXTSPQ-UHFFFAOYSA-N 0 3 359.514 4.160 40 0 FIABHN CN(C)C(=O)C[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096052699 222002980 /nfs/dbraw/zinc/00/29/80/222002980.db2.gz IOSAZBZMQGNOHX-GOSISDBHSA-N 0 3 368.546 4.248 40 0 FIABHN O=C(Nc1ccccc1)N1CCC[C@]2(CCCN2Cc2ccccc2F)C1 ZINC000096214636 222079906 /nfs/dbraw/zinc/07/99/06/222079906.db2.gz OMPCOLVLHXTPRT-QFIPXVFZSA-N 0 3 367.468 4.488 40 0 FIABHN Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCCC2)c1 ZINC000257259037 534457506 /nfs/dbraw/zinc/45/75/06/534457506.db2.gz KWOLHYKVHAMMBI-GOSISDBHSA-N 0 3 355.507 4.025 40 0 FIABHN CC(C)c1ccc([O-])c(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000257257782 528117850 /nfs/dbraw/zinc/11/78/50/528117850.db2.gz KRBCCUOSZQJWSX-UHFFFAOYSA-N 0 3 366.505 4.432 40 0 FIABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)c2cccs2)C3)s1 ZINC000096047018 570473013 /nfs/dbraw/zinc/47/30/13/570473013.db2.gz SYCUZJGQAWOPAY-IBGZPJMESA-N 0 3 360.548 4.246 40 0 FIABHN Cc1cnc(Nc2cccc(C3CCN(Cc4cccnc4)CC3)n2)s1 ZINC000585262716 570481270 /nfs/dbraw/zinc/48/12/70/570481270.db2.gz WZCBYZIVXRELHH-UHFFFAOYSA-N 0 3 365.506 4.365 40 0 FIABHN Cc1cccc(CN[C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)c1C ZINC000585289156 570495040 /nfs/dbraw/zinc/49/50/40/570495040.db2.gz FJFXWGWZMUAOPQ-PWRODBHTSA-N 0 3 359.897 4.407 40 0 FIABHN Cc1ccc(OCCCN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 ZINC000072369844 570546876 /nfs/dbraw/zinc/54/68/76/570546876.db2.gz CFLULRNHYUYSRU-LJQANCHMSA-N 0 3 363.461 4.303 40 0 FIABHN Cc1cc(C)cc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)c1 ZINC000244331648 570610511 /nfs/dbraw/zinc/61/05/11/570610511.db2.gz XOIVGDANBUZCCO-UHFFFAOYSA-N 0 3 361.493 4.478 40 0 FIABHN O=C(CNCCc1ccc(Cl)cc1)Nc1ccccc1N1CCCCC1 ZINC000004896508 570612268 /nfs/dbraw/zinc/61/22/68/570612268.db2.gz FJKPPGRKZYPYII-UHFFFAOYSA-N 0 3 371.912 4.101 40 0 FIABHN Cc1ccc(CN2[C@@H]3CCC[C@H]2CC(NC(=O)c2ccccc2F)C3)cc1 ZINC000035290814 570636604 /nfs/dbraw/zinc/63/66/04/570636604.db2.gz SRDMJVXGCDKPDF-IHWFROFDSA-N 0 3 366.480 4.450 40 0 FIABHN CC(C)(CO)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 ZINC000006883124 570656126 /nfs/dbraw/zinc/65/61/26/570656126.db2.gz LCQSOYPVVNABPO-UHFFFAOYSA-N 0 3 354.277 4.433 40 0 FIABHN Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccco2)c1 ZINC000004857256 570671437 /nfs/dbraw/zinc/67/14/37/570671437.db2.gz WUXXEHVTGARFEV-YQQQUEKLSA-N 0 3 369.534 4.460 40 0 FIABHN Cc1ccc(SCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007850510 570674471 /nfs/dbraw/zinc/67/44/71/570674471.db2.gz LBZYGQZLGRQCDE-UHFFFAOYSA-N 0 3 368.546 4.389 40 0 FIABHN OC1(c2cccnc2)CCN(Cc2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000012240712 570730371 /nfs/dbraw/zinc/73/03/71/570730371.db2.gz BRUNUNINYWTYAT-UHFFFAOYSA-N 0 3 362.448 4.371 40 0 FIABHN CCOc1cccc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c1 ZINC000009062614 570797275 /nfs/dbraw/zinc/79/72/75/570797275.db2.gz CHFNWHVUAZAUFU-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN Cc1ccc(CCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000024706108 570979925 /nfs/dbraw/zinc/97/99/25/570979925.db2.gz BPVDJIKGYCIUKN-UHFFFAOYSA-N 0 3 350.506 4.230 40 0 FIABHN CCc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000224933328 571006354 /nfs/dbraw/zinc/00/63/54/571006354.db2.gz JICMJDSKRPXHJL-DYESRHJHSA-N 0 3 368.496 4.478 40 0 FIABHN COc1ccc(C)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000039760151 571023195 /nfs/dbraw/zinc/02/31/95/571023195.db2.gz AYIRCZYZBOQDMZ-UHFFFAOYSA-N 0 3 352.478 4.163 40 0 FIABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN(C)C)cc3)CCCC2)c1 ZINC000225509462 571041708 /nfs/dbraw/zinc/04/17/08/571041708.db2.gz JKZMJPKCFUPZKC-UHFFFAOYSA-N 0 3 366.505 4.386 40 0 FIABHN S=C(Nc1ccc(Oc2ccccc2)cc1)NC12CCN(CC1)CC2 ZINC000027642716 571063504 /nfs/dbraw/zinc/06/35/04/571063504.db2.gz KQUCAECFCSZLLF-UHFFFAOYSA-N 0 3 353.491 4.004 40 0 FIABHN COc1cccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)c1 ZINC000225904819 571078780 /nfs/dbraw/zinc/07/87/80/571078780.db2.gz LTIUBTACESINGJ-QGZVFWFLSA-N 0 3 372.896 4.224 40 0 FIABHN COc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 ZINC000038834171 571087291 /nfs/dbraw/zinc/08/72/91/571087291.db2.gz CIRMMSKDWVYVPM-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN N=C1N[C@H]([C@H](O)c2ccccc2)[C@@H](c2ccc(Cc3ccccc3)cc2)S1 ZINC000059500961 571091535 /nfs/dbraw/zinc/09/15/35/571091535.db2.gz YERVHPOPRCNVGW-YPAWHYETSA-N 0 3 374.509 4.482 40 0 FIABHN COc1ccc2c(c1)NC1(CCN(Cc3ccccc3)CC1)c1cccn1-2 ZINC000072341613 571179426 /nfs/dbraw/zinc/17/94/26/571179426.db2.gz ODIAQAJCRITKNJ-UHFFFAOYSA-N 0 3 359.473 4.403 40 0 FIABHN COc1ccccc1Cc1cccc(C2CCN(Cc3ccncc3)CC2)n1 ZINC000072348825 571180344 /nfs/dbraw/zinc/18/03/44/571180344.db2.gz NTIAXGMXHNYPDF-UHFFFAOYSA-N 0 3 373.500 4.456 40 0 FIABHN COc1cccc(Cc2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348862 571180578 /nfs/dbraw/zinc/18/05/78/571180578.db2.gz DMPADAJIEMLWRE-NRFANRHFSA-N 0 3 373.500 4.456 40 0 FIABHN COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348865 571180647 /nfs/dbraw/zinc/18/06/47/571180647.db2.gz KHSVZKCQHZSGFO-NRFANRHFSA-N 0 3 373.500 4.456 40 0 FIABHN CNc1ncccc1CN1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 ZINC000072350262 571181774 /nfs/dbraw/zinc/18/17/74/571181774.db2.gz ZAXLACUKGAEPJD-HXUWFJFHSA-N 0 3 372.516 4.489 40 0 FIABHN Cc1cccnc1Nc1cncc([C@@H]2CCCN2CCc2ccccc2)n1 ZINC000072376237 571186133 /nfs/dbraw/zinc/18/61/33/571186133.db2.gz BQKCMCWFKXNITL-FQEVSTJZSA-N 0 3 359.477 4.303 40 0 FIABHN Cc1ccc2c(c1)CN(Cc1ccc(F)c(F)c1)CC1(CCN(C)CC1)O2 ZINC000072394185 571190411 /nfs/dbraw/zinc/19/04/11/571190411.db2.gz RCBAILCORSJBOJ-UHFFFAOYSA-N 0 3 372.459 4.132 40 0 FIABHN Cc1ccc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000224831554 222821272 /nfs/dbraw/zinc/82/12/72/222821272.db2.gz HTWMQSBBNZNNDY-LJQANCHMSA-N 0 3 366.505 4.065 40 0 FIABHN Oc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257223207 223026844 /nfs/dbraw/zinc/02/68/44/223026844.db2.gz DWJBZGVJKDHZQZ-PZJWPPBQSA-N 0 3 365.473 4.287 40 0 FIABHN Cc1ccc(CNc2cc(-c3c[nH]nc3[C@H]3CCN(C)C3)ccn2)cc1C ZINC000257259056 223041738 /nfs/dbraw/zinc/04/17/38/223041738.db2.gz KWQXNQLLTHTHRB-IBGZPJMESA-N 0 3 361.493 4.120 40 0 FIABHN COc1cccc(NC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000011557611 219921554 /nfs/dbraw/zinc/92/15/54/219921554.db2.gz RKUNTMMUMZDVCC-UHFFFAOYSA-N 0 3 353.466 4.003 40 0 FIABHN CCOc1ccc(CN2CCC(c3cc4cccnc4[nH]3)CC2)cc1OC ZINC000012133369 219958252 /nfs/dbraw/zinc/95/82/52/219958252.db2.gz ZURFUTQFMKYCPI-UHFFFAOYSA-N 0 3 365.477 4.350 40 0 FIABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccnc3ccccc23)o1 ZINC000013991247 220102030 /nfs/dbraw/zinc/10/20/30/220102030.db2.gz CSIJNHGCSIPBDP-UHFFFAOYSA-N 0 3 360.461 4.425 40 0 FIABHN Fc1ccccc1COc1ccc(Br)cc1CNC1CC1 ZINC000016449933 220185343 /nfs/dbraw/zinc/18/53/43/220185343.db2.gz XKCZBHFDKJSGPX-UHFFFAOYSA-N 0 3 350.231 4.419 40 0 FIABHN COc1ccccc1C1(O)CCN(Cc2c(C)[nH]c3ccc(C)cc32)CC1 ZINC000019220104 220241101 /nfs/dbraw/zinc/24/11/01/220241101.db2.gz CKUKWNINRHFHPT-UHFFFAOYSA-N 0 3 364.489 4.277 40 0 FIABHN COc1ccc(CN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1 ZINC000019217842 220241498 /nfs/dbraw/zinc/24/14/98/220241498.db2.gz OSMNSTOZSKUTOJ-UHFFFAOYSA-N 0 3 369.490 4.495 40 0 FIABHN Clc1ccccc1CCN1CCC(c2nnc(-c3ccncc3)o2)CC1 ZINC000019348688 220251817 /nfs/dbraw/zinc/25/18/17/220251817.db2.gz ZAEKZRCVPRRPBU-UHFFFAOYSA-N 0 3 368.868 4.207 40 0 FIABHN CCOc1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)ccc1OC ZINC000019531988 220268006 /nfs/dbraw/zinc/26/80/06/220268006.db2.gz KZBLALUBUGZDKA-SFHVURJKSA-N 0 3 365.477 4.350 40 0 FIABHN CCOc1ccc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1OC ZINC000019533812 220269778 /nfs/dbraw/zinc/26/97/78/220269778.db2.gz SRQWDDMZRFNKAK-SFHVURJKSA-N 0 3 365.477 4.350 40 0 FIABHN COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1 ZINC000022075078 220376407 /nfs/dbraw/zinc/37/64/07/220376407.db2.gz QYURARINJHLONL-OAQYLSRUSA-N 0 3 363.457 4.097 40 0 FIABHN COc1ccc(-c2nnc([C@H]3CCN(Cc4ccccc4Cl)C3)o2)cc1 ZINC000049170090 221020993 /nfs/dbraw/zinc/02/09/93/221020993.db2.gz QQGZIOYGDJIAIE-INIZCTEOSA-N 0 3 369.852 4.388 40 0 biogenic,in-vitro FIABHN O=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1cccnc1)CC2 ZINC000096052470 222003358 /nfs/dbraw/zinc/00/33/58/222003358.db2.gz PULWRPYWVGRUQW-UHFFFAOYSA-N 0 3 369.468 4.294 40 0 FIABHN COc1ccc(CCNCc2ccc(-c3ccc([C@H](C)O)cc3)o2)cc1 ZINC000007541077 263351924 /nfs/dbraw/zinc/35/19/24/263351924.db2.gz MJHXDBYSRAUFNN-INIZCTEOSA-N 0 3 351.446 4.341 40 0 FIABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4cccs4)C2)OC3)cc1 ZINC000306130795 534196354 /nfs/dbraw/zinc/19/63/54/534196354.db2.gz JPRHDBHXYVCDAO-OAQYLSRUSA-N 0 3 365.502 4.095 40 0 FIABHN COc1ccc([C@@H]2CC(N)=NN2c2ccc(Cl)cc2Cl)cc1OC ZINC000222549241 568538343 /nfs/dbraw/zinc/53/83/43/568538343.db2.gz NPMTYLWAHHIOCD-AWEZNQCLSA-N 0 3 366.248 4.234 40 0 FIABHN CSc1ccccc1C(=O)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613643 570582153 /nfs/dbraw/zinc/58/21/53/570582153.db2.gz ZFICBHOJQOTCJU-IBGZPJMESA-N 0 3 366.530 4.071 40 0 FIABHN Cc1ccc(CNc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1 ZINC000240793378 570608872 /nfs/dbraw/zinc/60/88/72/570608872.db2.gz AYYRSRSRSHXPQJ-UHFFFAOYSA-N 0 3 361.493 4.038 40 0 FIABHN Cc1cccc(C)c1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000243430481 570609873 /nfs/dbraw/zinc/60/98/73/570609873.db2.gz MYXHICSCWMRMHE-UHFFFAOYSA-N 0 3 361.493 4.478 40 0 FIABHN CCOc1cc(CN[C@H](CC)CO)ccc1OCc1ccc(Cl)cc1 ZINC000008337084 570680283 /nfs/dbraw/zinc/68/02/83/570680283.db2.gz HJRYDMAFUMZQJL-GOSISDBHSA-N 0 3 363.885 4.178 40 0 FIABHN COc1c(C)cccc1CN1[C@@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 ZINC000012293186 570732638 /nfs/dbraw/zinc/73/26/38/570732638.db2.gz DVKPEFRURJKSAO-VSOVRNOCSA-N 0 3 355.453 4.157 40 0 FIABHN Cc1cccc(CCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000013676301 570784201 /nfs/dbraw/zinc/78/42/01/570784201.db2.gz PMLXEUQSAHQXSI-UHFFFAOYSA-N 0 3 350.506 4.344 40 0 FIABHN Cc1cccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1C ZINC000017073078 570868986 /nfs/dbraw/zinc/86/89/86/570868986.db2.gz ZRYVFLYLSZNWNC-UHFFFAOYSA-N 0 3 352.478 4.307 40 0 FIABHN CCN(CC)CCN[C@@H](c1ccc(OC)cc1)C(Cl)(Cl)Cl ZINC000022871014 570951841 /nfs/dbraw/zinc/95/18/41/570951841.db2.gz PBTMTVRHVNGMHO-AWEZNQCLSA-N 0 3 353.721 4.038 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)NCCCc3ccc(F)cc3)CC2)cc1 ZINC000039766637 571023558 /nfs/dbraw/zinc/02/35/58/571023558.db2.gz JYVFOKCCJXKXBB-UHFFFAOYSA-N 0 3 368.496 4.095 40 0 FIABHN CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039755465 571025025 /nfs/dbraw/zinc/02/50/25/571025025.db2.gz JDSFSCPAXAJHCS-UHFFFAOYSA-N 0 3 352.478 4.325 40 0 FIABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000225519827 571042673 /nfs/dbraw/zinc/04/26/73/571042673.db2.gz FNGKKPCDAZWUSQ-UHFFFAOYSA-N 0 3 370.468 4.217 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)NC(C)(C)Cc3ccccc3)CC2)c1 ZINC000225859665 571075265 /nfs/dbraw/zinc/07/52/65/571075265.db2.gz TZOOEOBFEZTIKG-UHFFFAOYSA-N 0 3 364.533 4.345 40 0 FIABHN COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)cc1Cl ZINC000038850211 571087792 /nfs/dbraw/zinc/08/77/92/571087792.db2.gz VCGJEOIBQGFXBL-MRXNPFEDSA-N 0 3 358.869 4.199 40 0 FIABHN Cc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000044909689 571104425 /nfs/dbraw/zinc/10/44/25/571104425.db2.gz QPOULKAHGSAYMM-NRFANRHFSA-N 0 3 368.496 4.095 40 0 FIABHN Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000044933430 571104771 /nfs/dbraw/zinc/10/47/71/571104771.db2.gz ILTYFJLVWKILFS-YLJYHZDGSA-N 0 3 354.469 4.224 40 0 FIABHN CCc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000260841104 571124338 /nfs/dbraw/zinc/12/43/38/571124338.db2.gz JICMJDSKRPXHJL-UWJYYQICSA-N 0 3 368.496 4.478 40 0 FIABHN COc1cccc(-c2noc([C@H]3CCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000072369858 571185157 /nfs/dbraw/zinc/18/51/57/571185157.db2.gz RPYPAXCHZUKATK-INIZCTEOSA-N 0 3 369.852 4.388 40 0 FIABHN Cc1ccc(CN2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)cc1 ZINC000009063183 571302521 /nfs/dbraw/zinc/30/25/21/571302521.db2.gz NCCLKYCPUCVOJE-FQEVSTJZSA-N 0 3 364.533 4.345 40 0 FIABHN C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1 ZINC000028220911 571305297 /nfs/dbraw/zinc/30/52/97/571305297.db2.gz HLSOLTMMQBGQND-APWZRJJASA-N 0 3 356.897 4.429 40 0 FIABHN C[C@H](N[C@H]1CCc2cc(F)c(Cl)cc21)c1ccc(-n2ccnn2)cc1 ZINC000527876969 1109854918 /nfs/dbraw/zinc/85/49/18/1109854918.db2.gz WYBNSBNSTFMIEJ-BUXKBTBVSA-N 0 3 356.832 4.398 40 0 FIABHN CN(C)Cc1cccc(-c2cccnc2C(=O)N(C)Cc2ccccc2)c1 ZINC000257344037 223073188 /nfs/dbraw/zinc/07/31/88/223073188.db2.gz ZVMREPIBDRYRBA-UHFFFAOYSA-N 0 3 359.473 4.082 40 0 FIABHN COc1ccc(CN(Cc2sccc2C)C[C@@H]2CCCO2)cc1OC ZINC000013994154 220102010 /nfs/dbraw/zinc/10/20/10/220102010.db2.gz DIYXKNBRKIOHSS-KRWDZBQOSA-N 0 3 361.507 4.255 40 0 FIABHN COc1ccccc1CN1CCC[C@@H](c2nnc(-c3ccc(C)s3)o2)C1 ZINC000019217636 220241204 /nfs/dbraw/zinc/24/12/04/220241204.db2.gz CWHGKWVUWDWXEV-MRXNPFEDSA-N 0 3 369.490 4.495 40 0 FIABHN CC(C)c1ccc(CN2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)cc1 ZINC000019453216 220257038 /nfs/dbraw/zinc/25/70/38/220257038.db2.gz NAEWUFCCPMNJIB-SFHVURJKSA-N 0 3 367.493 4.070 40 0 FIABHN COc1ccc(CN2CCC(c3nnc(-c4cccs4)o3)CC2)cc1 ZINC000019555052 220271866 /nfs/dbraw/zinc/27/18/66/220271866.db2.gz ODHAEHSXQDKLDC-UHFFFAOYSA-N 0 3 355.463 4.186 40 0 FIABHN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2CC2CC2)cc1 ZINC000019694470 220286609 /nfs/dbraw/zinc/28/66/09/220286609.db2.gz KZEMFLYGZIFXGB-HXUWFJFHSA-N 0 3 366.509 4.155 40 0 FIABHN CCOc1cccc(CNC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000022522429 220390196 /nfs/dbraw/zinc/39/01/96/220390196.db2.gz KNGBRSLKGNRRBW-UHFFFAOYSA-N 0 3 366.505 4.247 40 0 FIABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCc2ccccc2C1 ZINC000038835859 220857531 /nfs/dbraw/zinc/85/75/31/220857531.db2.gz JZGPOQCJYSGGSE-FQEVSTJZSA-N 0 3 368.908 4.137 40 0 FIABHN CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2cn(CC3CC3)c3cccc1c23 ZINC000049171544 221020441 /nfs/dbraw/zinc/02/04/41/221020441.db2.gz KRZJWUOZZYCKMM-PMACEKPBSA-N 0 3 367.537 4.177 40 0 biogenic,in-vitro FIABHN COc1ccccc1-c1nnc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)o1 ZINC000049170007 221020576 /nfs/dbraw/zinc/02/05/76/221020576.db2.gz KQOLVEIFLNXIOC-AWEZNQCLSA-N 0 3 371.387 4.013 40 0 biogenic,in-vitro FIABHN O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000057155807 221084502 /nfs/dbraw/zinc/08/45/02/221084502.db2.gz BXTVVQOLFULECR-UHFFFAOYSA-N 0 3 358.485 4.368 40 0 FIABHN Clc1nc2ccccc2c(N2CCOCC2)c1CNC1CCCCC1 ZINC000005017395 132256177 /nfs/dbraw/zinc/25/61/77/132256177.db2.gz JUWXICCRFGPBNG-UHFFFAOYSA-N 0 3 359.901 4.147 40 0 FIABHN Cc1nc(NCc2ccccc2)cc(N2CCc3cc([C@H](C)O)ccc3C2)n1 ZINC000328960937 132371868 /nfs/dbraw/zinc/37/18/68/132371868.db2.gz AZQQSBIJGNOVMA-INIZCTEOSA-N 0 3 374.488 4.013 40 0 FIABHN Cc1ccc(CN2CCC3(CC2)C(=O)N(CC2CC2)[C@H]3c2ccccc2)o1 ZINC000096100268 222023201 /nfs/dbraw/zinc/02/32/01/222023201.db2.gz IEMXRDLWGYGIGF-NRFANRHFSA-N 0 3 364.489 4.164 40 0 FIABHN Cc1noc(C)c1CN1CC[C@@H](OCC2CC2)[C@@H](Cc2ccccc2)C1 ZINC000096110286 222027637 /nfs/dbraw/zinc/02/76/37/222027637.db2.gz MJUBNLIENVDITI-RBBKRZOGSA-N 0 3 354.494 4.151 40 0 FIABHN COc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CCCC3)C2)cc1 ZINC000096057053 222006031 /nfs/dbraw/zinc/00/60/31/222006031.db2.gz IUKBSJKDVDQOSG-DHIUTWEWSA-N 0 3 373.537 4.273 40 0 FIABHN O=C(Nc1ccccc1)N1CC[C@]2(CCCN2Cc2cccc(F)c2)C1 ZINC000096071092 222012803 /nfs/dbraw/zinc/01/28/03/222012803.db2.gz MZGIYTXTUGIWDE-OAQYLSRUSA-N 0 3 353.441 4.098 40 0 FIABHN O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(Cc1cccs1)CC2 ZINC000096100260 222022176 /nfs/dbraw/zinc/02/21/76/222022176.db2.gz NJZACTVQUDBXFM-HXUWFJFHSA-N 0 3 366.530 4.324 40 0 FIABHN Cn1cnc2c1cc(C1CCN(Cc3ccoc3)CC1)nc2-c1cccnc1 ZINC000096099942 222022836 /nfs/dbraw/zinc/02/28/36/222022836.db2.gz QUHZHJSKAGBQNK-UHFFFAOYSA-N 0 3 373.460 4.003 40 0 FIABHN c1c2ccccc2oc1-c1nnc2sc(CCN3CCCCCC3)nn21 ZINC000096194083 222071204 /nfs/dbraw/zinc/07/12/04/222071204.db2.gz JFYOPBVPTPEPAJ-UHFFFAOYSA-N 0 3 367.478 4.018 40 0 FIABHN COc1cccc(N[C@H]2COC3(C2)CCN(Cc2ccc(C)s2)CC3)c1 ZINC000096221398 222084986 /nfs/dbraw/zinc/08/49/86/222084986.db2.gz CYKACSFSFLTNRA-GOSISDBHSA-N 0 3 372.534 4.301 40 0 FIABHN COC(=O)c1ccc(-c2ccc(CNCCc3ccccc3F)o2)cc1 ZINC000022076826 263385060 /nfs/dbraw/zinc/38/50/60/263385060.db2.gz HVUSISRRSDALNM-UHFFFAOYSA-N 0 3 353.393 4.205 40 0 FIABHN CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc3ccccc3c2)nc1 ZINC000257257215 526813529 /nfs/dbraw/zinc/81/35/29/526813529.db2.gz KOOUVSDVHFMMER-QHCPKHFHSA-N 0 3 359.473 4.208 40 0 FIABHN Cc1ccc(CN2CCC(c3nc4ccc(-c5ccncc5)cn4n3)CC2)o1 ZINC000096038246 570472532 /nfs/dbraw/zinc/47/25/32/570472532.db2.gz ZXACDNUMLMKJSN-UHFFFAOYSA-N 0 3 373.460 4.072 40 0 FIABHN Cc1nc(C)c(CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)s1 ZINC000329183230 570610851 /nfs/dbraw/zinc/61/08/51/570610851.db2.gz OUVURLREYQKRMX-OAHLLOKOSA-N 0 3 372.469 4.329 40 0 FIABHN O=C(NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccc(Cl)cc1)c1ccncc1 ZINC000035290506 570636177 /nfs/dbraw/zinc/63/61/77/570636177.db2.gz GOQNWFXKHVRZEX-IHWFROFDSA-N 0 3 369.896 4.051 40 0 FIABHN Cc1ccc(NC(=O)N2CCN(CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000006922918 570656969 /nfs/dbraw/zinc/65/69/69/570656969.db2.gz HOFHJTHCMJEAOG-UHFFFAOYSA-N 0 3 367.537 4.361 40 0 FIABHN CC(=O)NC1(c2ccccc2F)CCN(C/C(C)=C/c2ccccc2)CC1 ZINC000012219344 570728012 /nfs/dbraw/zinc/72/80/12/570728012.db2.gz YGYPCGVIEOHFHL-FBMGVBCBSA-N 0 3 366.480 4.356 40 0 FIABHN COc1ccccc1/C=C/CN1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000012293103 570732767 /nfs/dbraw/zinc/73/27/67/570732767.db2.gz VKKLZTLWEHZEPN-OHNJSALPSA-N 0 3 367.464 4.362 40 0 FIABHN CCOc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c(C)cc1OC ZINC000012344617 570738210 /nfs/dbraw/zinc/73/82/10/570738210.db2.gz PRZACWPVICKMCR-UHFFFAOYSA-N 0 3 369.505 4.194 40 0 FIABHN CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000009063099 570797122 /nfs/dbraw/zinc/79/71/22/570797122.db2.gz HMPXRVKEWKBYEQ-UHFFFAOYSA-N 0 3 352.478 4.244 40 0 FIABHN O=C(Nc1ccccc1Br)C1CCN(Cc2ccccc2)CC1 ZINC000009062776 570797268 /nfs/dbraw/zinc/79/72/68/570797268.db2.gz KLPRYRYZXQCDOY-UHFFFAOYSA-N 0 3 373.294 4.300 40 0 FIABHN CCOc1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000009062741 570797369 /nfs/dbraw/zinc/79/73/69/570797369.db2.gz QBPPLAHWZLHZNY-UHFFFAOYSA-N 0 3 356.441 4.075 40 0 FIABHN CCC(=O)N1CCCc2cc([C@@H](O)CN3CCC(C(C)(C)C)CC3)ccc21 ZINC000019498879 570890750 /nfs/dbraw/zinc/89/07/50/570890750.db2.gz GZXCGAZOPVDIBN-NRFANRHFSA-N 0 3 372.553 4.167 40 0 FIABHN CC1CCN(Cc2ccc(C(=O)NCCSC3CCCC3)cc2)CC1 ZINC000225050160 571011522 /nfs/dbraw/zinc/01/15/22/571011522.db2.gz JCQUYSQCJQIHSW-UHFFFAOYSA-N 0 3 360.567 4.324 40 0 FIABHN CO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225635172 571051535 /nfs/dbraw/zinc/05/15/35/571051535.db2.gz QLUUQENQDOSFIU-AVRDEDQJSA-N 0 3 374.525 4.085 40 0 FIABHN CCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225714723 571058412 /nfs/dbraw/zinc/05/84/12/571058412.db2.gz DKEJASXHTQGJHX-XMSQKQJNSA-N 0 3 374.525 4.085 40 0 FIABHN CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000225730149 571060058 /nfs/dbraw/zinc/06/00/58/571060058.db2.gz IYXYTYBPTCGSQO-NRFANRHFSA-N 0 3 362.514 4.085 40 0 FIABHN COc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038835065 571087178 /nfs/dbraw/zinc/08/71/78/571087178.db2.gz PSEFTLFRWPSOHD-INIZCTEOSA-N 0 3 358.869 4.199 40 0 FIABHN O=C(NCc1ccccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038857403 571088449 /nfs/dbraw/zinc/08/84/49/571088449.db2.gz BWECIMPOKJOUBX-KRWDZBQOSA-N 0 3 360.860 4.008 40 0 FIABHN Cc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)s1 ZINC000072334479 571178670 /nfs/dbraw/zinc/17/86/70/571178670.db2.gz BULJCKXAABWMRR-UHFFFAOYSA-N 0 3 357.519 4.372 40 0 FIABHN COc1ccc(-c2noc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)n2)cc1 ZINC000072369922 571184884 /nfs/dbraw/zinc/18/48/84/571184884.db2.gz LETVPFMJNXEBHV-INIZCTEOSA-N 0 3 369.852 4.388 40 0 FIABHN c1cc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)cs1 ZINC000585105458 571223763 /nfs/dbraw/zinc/22/37/63/571223763.db2.gz WYSDXJUCKKAAFY-HXUWFJFHSA-N 0 3 372.534 4.121 40 0 FIABHN C[C@@H](CCN1CCc2nc([C@H]3CCCCN3C)ncc2C1)c1ccccc1 ZINC000248160977 571291167 /nfs/dbraw/zinc/29/11/67/571291167.db2.gz XMIGJZFWLPJIND-PGRDOPGGSA-N 0 3 364.537 4.185 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)c1 ZINC000009063082 571302504 /nfs/dbraw/zinc/30/25/04/571302504.db2.gz QLZBPMDUPGKWES-HXUWFJFHSA-N 0 3 364.533 4.345 40 0 FIABHN Cc1cccc(CN2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)c1 ZINC000009063081 571302514 /nfs/dbraw/zinc/30/25/14/571302514.db2.gz QLZBPMDUPGKWES-FQEVSTJZSA-N 0 3 364.533 4.345 40 0 FIABHN Clc1ccc(OCc2cc([C@H]3CCN(Cc4ccccn4)C3)n[nH]2)cc1 ZINC000019696181 571304314 /nfs/dbraw/zinc/30/43/14/571304314.db2.gz YYIIPVDYYSHQJV-HNNXBMFYSA-N 0 3 368.868 4.027 40 0 FIABHN