smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccccc1NC(=O)C1CCN(C)CC1 ZINC000074713325 398208140 /nfs/dbraw/zinc/20/81/40/398208140.db2.gz GYEXNFXIBGVIPG-UHFFFAOYSA-N 0 3 246.354 2.529 40 0 BFABHN Cc1cc(=O)cc([C@H]2CCCN2C(C)C)[nH]1 ZINC000072348463 178199071 /nfs/dbraw/zinc/19/90/71/178199071.db2.gz ZUPSZNYRCMPOFG-CYBMUJFWSA-N 0 3 220.316 2.641 40 0 BFABHN Cc1ccc(-n2cccc2CN(C)C)cc1 ZINC000225308535 178347010 /nfs/dbraw/zinc/34/70/10/178347010.db2.gz OUFLTISCJIPPSJ-UHFFFAOYSA-N 0 3 214.312 2.847 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218457 259317870 /nfs/dbraw/zinc/31/78/70/259317870.db2.gz IDKDRDRGFZTVGQ-LBPRGKRZSA-N 0 3 219.332 2.519 40 0 BFABHN Cc1cc([C@H]2CCCCN2C(C)C)cnc1N ZINC000072218461 259318355 /nfs/dbraw/zinc/31/83/55/259318355.db2.gz HXEGXQNCRROQMK-CYBMUJFWSA-N 0 3 233.359 2.908 40 0 BFABHN Cc1cc([C@H](N)c2ccccc2)cnc1N(C)C ZINC000072222074 259320243 /nfs/dbraw/zinc/32/02/43/259320243.db2.gz IEQMXRQUIDMWQV-CQSZACIVSA-N 0 3 241.338 2.504 40 0 BFABHN CCOc1ncc([C@@H](N)c2ccccc2)cc1C ZINC000072222102 259320098 /nfs/dbraw/zinc/32/00/98/259320098.db2.gz GIBIEIXHQAMISS-AWEZNQCLSA-N 0 3 242.322 2.837 40 0 BFABHN CCCNc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225227 259321789 /nfs/dbraw/zinc/32/17/89/259321789.db2.gz JIALQHNOQOJFCU-OAHLLOKOSA-N 0 3 241.338 2.952 40 0 BFABHN Cc1ccc(C)c2nc3c(cc12)CNC[C@H](C)O3 ZINC000019134697 342942326 /nfs/dbraw/zinc/94/23/26/342942326.db2.gz RQISLKDAVVEUGT-NSHDSACASA-N 0 3 242.322 2.722 40 0 BFABHN Cc1ccc2cc3c(nc2c1C)O[C@H](C)CNC3 ZINC000019234317 342944619 /nfs/dbraw/zinc/94/46/19/342944619.db2.gz IBWVASWEVRMRRD-SNVBAGLBSA-N 0 3 242.322 2.722 40 0 BFABHN Cc1ccc2cc3c(nc2c1C)O[C@@H](C)CNC3 ZINC000019234318 342944699 /nfs/dbraw/zinc/94/46/99/342944699.db2.gz IBWVASWEVRMRRD-JTQLQIEISA-N 0 3 242.322 2.722 40 0 BFABHN CCOc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963694 342965243 /nfs/dbraw/zinc/96/52/43/342965243.db2.gz GWZHNODLZKJLGW-IUODEOHRSA-N 0 3 249.354 2.915 40 0 BFABHN CCCCOc1ccccc1CNCCOC ZINC000033466298 343254733 /nfs/dbraw/zinc/25/47/33/343254733.db2.gz WAYVPOFQTVSVTE-UHFFFAOYSA-N 0 3 237.343 2.602 40 0 BFABHN CC1=CO[C@](C)([C@@H]2N[C@H](C)CC(C)(C)N2)CC1 ZINC000019325712 187251748 /nfs/dbraw/zinc/25/17/48/187251748.db2.gz OCRUJCNPOFTYIS-BZPMIXESSA-N 0 3 238.375 2.535 40 0 BFABHN CCN1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000073636026 343357548 /nfs/dbraw/zinc/35/75/48/343357548.db2.gz XDTVADSMQXPUNU-UHFFFAOYSA-N 0 3 227.311 2.672 40 0 BFABHN CC(C)N1CCC(c2nccnc2Cl)CC1 ZINC000205672955 347452431 /nfs/dbraw/zinc/45/24/31/347452431.db2.gz AWFRSWXNXBDKSB-UHFFFAOYSA-N 0 3 239.750 2.718 40 0 BFABHN CC(C)n1ccnc1[C@H]1CNCc2ccccc21 ZINC000306125755 538042840 /nfs/dbraw/zinc/04/28/40/538042840.db2.gz DBLIDZJXRLPCHV-AWEZNQCLSA-N 0 3 241.338 2.699 40 0 BFABHN CC(C)(C)c1nc(C(F)(F)F)ccc1CN ZINC000242548091 259429021 /nfs/dbraw/zinc/42/90/21/259429021.db2.gz LCIMZBPGMDPSQC-UHFFFAOYSA-N 0 3 232.249 2.857 40 0 BFABHN C[C@H]1NCc2cc(Br)ccc21 ZINC000044563640 188296227 /nfs/dbraw/zinc/29/62/27/188296227.db2.gz KTUCROBKAQWWPX-ZCFIWIBFSA-N 0 3 212.090 2.613 40 0 BFABHN NCc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000113704039 188327654 /nfs/dbraw/zinc/32/76/54/188327654.db2.gz UQLMJDNSLUBIRY-UHFFFAOYSA-N 0 3 240.228 2.955 40 0 BFABHN N[C@H]1CCCOc2c(Br)cccc21 ZINC000036926612 359692231 /nfs/dbraw/zinc/69/22/31/359692231.db2.gz BNPKOFKQHFBFJD-VIFPVBQESA-N 0 3 242.116 2.622 40 0 BFABHN COc1cc(C)c([C@H]2CCCN2C(C)C)cn1 ZINC000072218016 259528465 /nfs/dbraw/zinc/52/84/65/259528465.db2.gz SEOXTVWXHIWEIS-CYBMUJFWSA-N 0 3 234.343 2.944 40 0 BFABHN Cc1nc([C@H]2CCCCN2)cc(C(F)(F)F)n1 ZINC000019686148 368319153 /nfs/dbraw/zinc/31/91/53/368319153.db2.gz RBOYERHVYMZCET-MRVPVSSYSA-N 0 3 245.248 2.618 40 0 BFABHN CCCNCc1c(Cl)nc2sc(C)cn12 ZINC000256050904 370636084 /nfs/dbraw/zinc/63/60/84/370636084.db2.gz GYCSQRXNUWRPPU-UHFFFAOYSA-N 0 3 243.763 2.857 40 0 BFABHN CCCCc1ccc(C2(O)CCN(C)CC2)cc1 ZINC000079030366 169020887 /nfs/dbraw/zinc/02/08/87/169020887.db2.gz SRNNBDRQGGZFKX-UHFFFAOYSA-N 0 3 247.382 2.942 40 0 BFABHN c1cc([C@H]2CCCCN2C2CCCC2)n[nH]1 ZINC000072348419 183362388 /nfs/dbraw/zinc/36/23/88/183362388.db2.gz YJPMDQFUBTUBTI-CYBMUJFWSA-N 0 3 219.332 2.879 40 0 BFABHN CCCOc1ccc([C@H](C)NCCOC)cc1 ZINC000019881634 169321640 /nfs/dbraw/zinc/32/16/40/169321640.db2.gz LMHLGHVFTHVUMF-LBPRGKRZSA-N 0 3 237.343 2.772 40 0 BFABHN CCC[C@@H](NCC)C(=O)c1ccccc1 ZINC000003631209 169399630 /nfs/dbraw/zinc/39/96/30/169399630.db2.gz QQAHEGDXEXIQPR-GFCCVEGCSA-N 0 3 205.301 2.648 40 0 in-vitro BFABHN CCCc1nc2c(s1)[C@H](C(C)C)NCC2 ZINC000218332396 169594220 /nfs/dbraw/zinc/59/42/20/169594220.db2.gz UYMQHAUHTXIDQQ-NSHDSACASA-N 0 3 224.373 2.938 40 0 BFABHN CN(C)C[C@@H](c1ccccc1)C1(O)CCCC1 ZINC000002042528 383947228 /nfs/dbraw/zinc/94/72/28/383947228.db2.gz JDAFXCRSIQHYSL-AWEZNQCLSA-N 0 3 233.355 2.637 40 0 BFABHN Cc1ccc2cc(CN)c(Cl)nc2c1C ZINC000089261971 383955529 /nfs/dbraw/zinc/95/55/29/383955529.db2.gz FWSAPYYXAZODGS-UHFFFAOYSA-N 0 3 220.703 2.964 40 0 BFABHN NCc1cncc(-c2ccccc2Cl)c1 ZINC000091351611 384120678 /nfs/dbraw/zinc/12/06/78/384120678.db2.gz BMWZMIYVCCCQQD-UHFFFAOYSA-N 0 3 218.687 2.861 40 0 BFABHN C(=C/c1ccccc1)\CNCc1ccncc1 ZINC000008435916 384201410 /nfs/dbraw/zinc/20/14/10/384201410.db2.gz WMOBOHQHCLEOGJ-QPJJXVBHSA-N 0 3 224.307 2.885 40 0 BFABHN O=Cc1ccc(CN2CCCCCC2)cc1 ZINC000015014309 384259172 /nfs/dbraw/zinc/25/91/72/384259172.db2.gz MRZCWWJOKSOOJQ-UHFFFAOYSA-N 0 3 217.312 2.875 40 0 BFABHN CCc1ccc2c(c1)[C@H](N)CC(C)(C)O2 ZINC000011848952 384299404 /nfs/dbraw/zinc/29/94/04/384299404.db2.gz BARMYPFKQXQJLP-LLVKDONJSA-N 0 3 205.301 2.810 40 0 BFABHN CCN1CCCC[C@H]1c1cncc(C)c1 ZINC000072211357 385072606 /nfs/dbraw/zinc/07/26/06/385072606.db2.gz HXMMWBKVSLHTKL-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN CCOc1ncccc1[C@H]1CCCN1CC ZINC000072211830 385075639 /nfs/dbraw/zinc/07/56/39/385075639.db2.gz LDGWWEVEMRHSMH-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CCCNc1ncccc1[C@@H]1CCCCN1 ZINC000072213146 385078222 /nfs/dbraw/zinc/07/82/22/385078222.db2.gz SEIUJSPQTYSDNJ-LBPRGKRZSA-N 0 3 219.332 2.718 40 0 BFABHN CCN(C)c1ncccc1[C@H]1CCCCN1C ZINC000072212791 385079114 /nfs/dbraw/zinc/07/91/14/385079114.db2.gz DLXGNZADGKYYIG-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(N(C)C)nc1 ZINC000072212612 385079135 /nfs/dbraw/zinc/07/91/35/385079135.db2.gz YYJCBNXCGCXOKX-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(N(C)C)nc1 ZINC000072212613 385079541 /nfs/dbraw/zinc/07/95/41/385079541.db2.gz YYJCBNXCGCXOKX-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCNc1ccc([C@H]2CCCN2CC)cn1 ZINC000072213066 385081008 /nfs/dbraw/zinc/08/10/08/385081008.db2.gz RRRMCYJDEXKMIX-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CNCc1ccc(Oc2ccccc2)nc1C ZINC000072224210 385116340 /nfs/dbraw/zinc/11/63/40/385116340.db2.gz RFRXUCRPDSXTSP-UHFFFAOYSA-N 0 3 228.295 2.902 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217712 385089437 /nfs/dbraw/zinc/08/94/37/385089437.db2.gz CRBBZPCPGOPPJN-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(OC)cc1C ZINC000072218007 385094616 /nfs/dbraw/zinc/09/46/16/385094616.db2.gz ABFPSNKUMMSLSW-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN CCCN1CCC[C@@H]1c1cnc(OC)cc1C ZINC000072218017 385094723 /nfs/dbraw/zinc/09/47/23/385094723.db2.gz CZCRARMOILCIHA-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN CCCN1CCC[C@H]1c1cnc(OC)cc1C ZINC000072218018 385098672 /nfs/dbraw/zinc/09/86/72/385098672.db2.gz CZCRARMOILCIHA-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CNc1ccc([C@H]2CCCCN2C)c(C)n1 ZINC000072219115 385102976 /nfs/dbraw/zinc/10/29/76/385102976.db2.gz SFOAVQNHPANUAU-GFCCVEGCSA-N 0 3 219.332 2.589 40 0 BFABHN CNc1ncc([C@@H]2CCCCN2C)cc1C ZINC000072218994 385105460 /nfs/dbraw/zinc/10/54/60/385105460.db2.gz NWPMIMILVQVCCK-LBPRGKRZSA-N 0 3 219.332 2.589 40 0 BFABHN CC[C@@H](C)Oc1ccccc1CNCCOC ZINC000062729550 385183310 /nfs/dbraw/zinc/18/33/10/385183310.db2.gz ULAICRBFEYYWHG-GFCCVEGCSA-N 0 3 237.343 2.600 40 0 BFABHN NCc1c(OCCF)ccc2ccccc21 ZINC000085391455 385156112 /nfs/dbraw/zinc/15/61/12/385156112.db2.gz GYKVEDSHAPXPJF-UHFFFAOYSA-N 0 3 219.259 2.647 40 0 BFABHN CCO[C@@H](CN)c1cccc2ccccc21 ZINC000062711929 385691543 /nfs/dbraw/zinc/69/15/43/385691543.db2.gz CNYQMLCILVJSOT-AWEZNQCLSA-N 0 3 215.296 2.876 40 0 BFABHN Cc1cc(-c2cc([C@H]3CCCN3C)ccn2)n[nH]1 ZINC000257269466 385757417 /nfs/dbraw/zinc/75/74/17/385757417.db2.gz MQBCWYOSHAQBEM-CQSZACIVSA-N 0 3 242.326 2.547 40 0 BFABHN CC[C@H]1NCCc2nc(C(C)C)sc21 ZINC000218331766 386046518 /nfs/dbraw/zinc/04/65/18/386046518.db2.gz QTENRKKJCYOFSY-MRVPVSSYSA-N 0 3 210.346 2.863 40 0 BFABHN CCc1ccc(CNCc2ccccc2)[nH]1 ZINC000226019378 386232161 /nfs/dbraw/zinc/23/21/61/386232161.db2.gz YEPMFBZAENXLRM-UHFFFAOYSA-N 0 3 214.312 2.867 40 0 BFABHN Brc1ccc([C@@H]2CCCCN2)cn1 ZINC000072211565 166100336 /nfs/dbraw/zinc/10/03/36/166100336.db2.gz WWPMVVPLXWYGMN-VIFPVBQESA-N 0 3 241.132 2.659 40 0 BFABHN CC1(c2cc[nH]n2)CCN(Cc2ccco2)CC1 ZINC000257238301 168073499 /nfs/dbraw/zinc/07/34/99/168073499.db2.gz HKJHHBVAEUEIDX-UHFFFAOYSA-N 0 3 245.326 2.556 40 0 BFABHN CC1=C[C@@H](C)[C@H](C2N3CCN2CCC3)[C@H](C)C1 ZINC000019325825 168125763 /nfs/dbraw/zinc/12/57/63/168125763.db2.gz HFPVWFVWBIWBRP-MCIONIFRSA-N 0 3 234.387 2.572 40 0 BFABHN CCN[C@H](C)c1ccccc1OC(F)F ZINC000019510302 170159694 /nfs/dbraw/zinc/15/96/94/170159694.db2.gz NKTWRHTXYMFKHE-MRVPVSSYSA-N 0 3 215.243 2.959 40 0 BFABHN CN1CCC(c2noc3ccccc32)CC1 ZINC000039389883 173002289 /nfs/dbraw/zinc/00/22/89/173002289.db2.gz OVRZIEZGJIVDFK-UHFFFAOYSA-N 0 3 216.284 2.637 40 0 in-vitro BFABHN COCCN[C@@H](C)c1cccc(OC(C)C)c1 ZINC000179667361 174338507 /nfs/dbraw/zinc/33/85/07/174338507.db2.gz ATRQLLBIDSEDMF-LBPRGKRZSA-N 0 3 237.343 2.771 40 0 BFABHN COc1ccc(CNCc2ccc(C)[nH]2)cc1 ZINC000226018839 175108476 /nfs/dbraw/zinc/10/84/76/175108476.db2.gz WDWNRTJNHOWSMO-UHFFFAOYSA-N 0 3 230.311 2.622 40 0 BFABHN COc1ccc([C@H](N)c2ccccc2)cc1OC ZINC000004312901 175192600 /nfs/dbraw/zinc/19/26/00/175192600.db2.gz PGBFJBABOKHGQU-OAHLLOKOSA-N 0 3 243.306 2.752 40 0 BFABHN C[C@@H]1CCCCN1Cc1ccccc1C=O ZINC000095738622 176073070 /nfs/dbraw/zinc/07/30/70/176073070.db2.gz BJRKTLFXFDUBEW-GFCCVEGCSA-N 0 3 217.312 2.874 40 0 BFABHN C[C@H](NC(C)(C)C)C(=O)c1ccccc1 ZINC000033852020 176824037 /nfs/dbraw/zinc/82/40/37/176824037.db2.gz JQNSRSIGKZYQAA-JTQLQIEISA-N 0 3 205.301 2.646 40 0 in-vivo BFABHN C[C@H]1CCCN([C@@H](CN)c2cccc(F)c2)C1 ZINC000022163609 177104119 /nfs/dbraw/zinc/10/41/19/177104119.db2.gz AQJWATPQMKGMEX-FZMZJTMJSA-N 0 3 236.334 2.557 40 0 BFABHN C[C@H]1CCCN([C@@H](CN)c2ccccc2F)C1 ZINC000019400345 177104391 /nfs/dbraw/zinc/10/43/91/177104391.db2.gz VPHYZNNRJQDDPC-FZMZJTMJSA-N 0 3 236.334 2.557 40 0 BFABHN CCN1[C@H](C(C)C)c2cc[nH]c2C[C@@H]1C ZINC000260825948 323128579 /nfs/dbraw/zinc/12/85/79/323128579.db2.gz WRQVWPDZJOZRFL-GXFFZTMASA-N 0 3 206.333 2.978 40 0 BFABHN COc1ccccc1N1CCN(C(C)(C)C)CC1 ZINC000001663858 537068454 /nfs/dbraw/zinc/06/84/54/537068454.db2.gz IQIIUWCFJHTWEM-UHFFFAOYSA-N 0 3 248.370 2.616 40 0 BFABHN Cc1ccc(NC(=O)C2CCN(C)CC2)c(C)c1 ZINC000074713315 592309570 /nfs/dbraw/zinc/30/95/70/592309570.db2.gz SSHSUQGCLZASRD-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN Cc1cc(N)nc(NCc2ccccc2Cl)n1 ZINC000095117405 178109699 /nfs/dbraw/zinc/10/96/99/178109699.db2.gz IXSMDCJKCVSRAV-UHFFFAOYSA-N 0 3 248.717 2.633 40 0 BFABHN CCc1ccc(NC(=O)C2CCN(C)CC2)cc1 ZINC000074713327 398208129 /nfs/dbraw/zinc/20/81/29/398208129.db2.gz MPQUBBRRNGFFLH-UHFFFAOYSA-N 0 3 246.354 2.529 40 0 BFABHN C[C@](CN)(c1ccccc1Cl)N1CCCC1 ZINC000070453419 259313839 /nfs/dbraw/zinc/31/38/39/259313839.db2.gz DZWWJEXSDSIEBT-ZDUSSCGKSA-N 0 3 238.762 2.610 40 0 BFABHN CCOC(=O)C[C@H](NC1CC1)c1ccc(C)cc1 ZINC000072210288 259316628 /nfs/dbraw/zinc/31/66/28/259316628.db2.gz RCDSIHPBKREHKB-AWEZNQCLSA-N 0 3 247.338 2.741 40 0 BFABHN C(NC1CCCCC1)SC1=NCCS1 ZINC000001576865 342704001 /nfs/dbraw/zinc/70/40/01/342704001.db2.gz NGGKUTIPMYXMQJ-UHFFFAOYSA-N 0 3 230.402 2.702 40 0 BFABHN CCCCN1CCCC[C@H]1c1cccnc1N ZINC000072212441 259317376 /nfs/dbraw/zinc/31/73/76/259317376.db2.gz IMAPYTMCWLJGRT-ZDUSSCGKSA-N 0 3 233.359 2.991 40 0 BFABHN CN(C)CCO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2 ZINC000004416399 342747721 /nfs/dbraw/zinc/74/77/21/342747721.db2.gz SZZKEDPTVWMFNF-BZPMIXESSA-N 0 3 225.376 2.779 40 0 BFABHN Cc1ccc([C@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000005546219 342765882 /nfs/dbraw/zinc/76/58/82/342765882.db2.gz CPTGAOPLCQIBTJ-GJZGRUSLSA-N 0 3 227.307 2.728 40 0 BFABHN CNCc1cnc(OCc2ccccc2)cc1C ZINC000072223435 259321564 /nfs/dbraw/zinc/32/15/64/259321564.db2.gz CIDAUZYBHFGNSC-UHFFFAOYSA-N 0 3 242.322 2.688 40 0 BFABHN CC(C)Nc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225073 259322154 /nfs/dbraw/zinc/32/21/54/259322154.db2.gz TWCOBOAFLHKBMT-OAHLLOKOSA-N 0 3 241.338 2.950 40 0 BFABHN Cc1ccc([C@H](N)c2ccncc2)c(C)c1 ZINC000011737352 342843002 /nfs/dbraw/zinc/84/30/02/342843002.db2.gz GCSAYVGGNLEYAY-CQSZACIVSA-N 0 3 212.296 2.747 40 0 BFABHN COc1ccc([C@H](N)c2cccs2)cc1 ZINC000019842009 187252870 /nfs/dbraw/zinc/25/28/70/187252870.db2.gz UGYQKUPMLNVCIX-LBPRGKRZSA-N 0 3 219.309 2.805 40 0 BFABHN Cc1cccc(-n2cccc2CN)c1C ZINC000023993763 179001417 /nfs/dbraw/zinc/00/14/17/179001417.db2.gz PHFCFWCQYWMPEF-UHFFFAOYSA-N 0 3 200.285 2.553 40 0 BFABHN CNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007540952 346661646 /nfs/dbraw/zinc/66/16/46/346661646.db2.gz SYMJTAIPCFLKKM-JTQLQIEISA-N 0 3 231.295 2.719 40 0 BFABHN CNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007540957 346661808 /nfs/dbraw/zinc/66/18/08/346661808.db2.gz SYMJTAIPCFLKKM-SNVBAGLBSA-N 0 3 231.295 2.719 40 0 BFABHN N[C@@H]1CCCOc2ccc(Br)cc21 ZINC000019408214 347219594 /nfs/dbraw/zinc/21/95/94/347219594.db2.gz CHGCHQWOZKAONL-SECBINFHSA-N 0 3 242.116 2.622 40 0 BFABHN Cc1cccc2cc(CN)c(Cl)nc12 ZINC000089261966 179227492 /nfs/dbraw/zinc/22/74/92/179227492.db2.gz QAAKUYZRGQTZRH-UHFFFAOYSA-N 0 3 206.676 2.655 40 0 BFABHN Cc1ccccc1NC(=O)CC1CCN(C)CC1 ZINC000074920982 179297851 /nfs/dbraw/zinc/29/78/51/179297851.db2.gz WUFCCWBDVBRJQF-UHFFFAOYSA-N 0 3 246.354 2.665 40 0 BFABHN Cc1nc([C@H]2CCCCN2)c2sccn12 ZINC000257308462 180055584 /nfs/dbraw/zinc/05/55/84/180055584.db2.gz TWUPKKGQBFKBBN-SECBINFHSA-N 0 3 221.329 2.519 40 0 BFABHN Cc1nccc(CN2CC=CCC(C)(C)C2)n1 ZINC000019287527 180182629 /nfs/dbraw/zinc/18/26/29/180182629.db2.gz HTMXHVHFJDUWDC-UHFFFAOYSA-N 0 3 231.343 2.573 40 0 BFABHN CC(C)CN1CCCC[C@@H]1c1cc[nH]n1 ZINC000257253636 351042459 /nfs/dbraw/zinc/04/24/59/351042459.db2.gz JZRLVPUYMVIHSV-GFCCVEGCSA-N 0 3 207.321 2.593 40 0 BFABHN CN(C)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000004411305 188276548 /nfs/dbraw/zinc/27/65/48/188276548.db2.gz FFSUJINLERSHGM-BZPMIXESSA-N 0 3 225.376 2.779 40 0 BFABHN CCn1c2ccc(Cl)cc2nc1[C@@H](C)N ZINC000037440350 188287500 /nfs/dbraw/zinc/28/75/00/188287500.db2.gz XMINNDFPMGEHTA-SSDOTTSWSA-N 0 3 223.707 2.729 40 0 BFABHN N[C@H]1CN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000224239525 358970347 /nfs/dbraw/zinc/97/03/47/358970347.db2.gz VVQBLBPWBQUFOS-LSDHHAIUSA-N 0 3 224.307 2.575 40 0 BFABHN N[C@@H]1CN(c2ccccc2)[C@H]1c1ccccc1 ZINC000224239471 358970955 /nfs/dbraw/zinc/97/09/55/358970955.db2.gz VVQBLBPWBQUFOS-CABCVRRESA-N 0 3 224.307 2.575 40 0 BFABHN CN1CCC[C@@H]1c1cccc(NCC(F)F)n1 ZINC000205697942 368359550 /nfs/dbraw/zinc/35/95/50/368359550.db2.gz SXTPPMITMCYLNV-SNVBAGLBSA-N 0 3 241.285 2.525 40 0 BFABHN c1cc2c(s1)CCN[C@H]2Cc1ccncc1 ZINC000096526604 183355317 /nfs/dbraw/zinc/35/53/17/183355317.db2.gz NGJSQAMHFYLJCY-LBPRGKRZSA-N 0 3 230.336 2.573 40 0 BFABHN CCCNCc1nc2cc(Cl)ccc2[nH]1 ZINC000022122064 169269663 /nfs/dbraw/zinc/26/96/63/169269663.db2.gz GBHKCASUBLYUBA-UHFFFAOYSA-N 0 3 223.707 2.716 40 0 BFABHN CCCOc1c(C)cccc1CNCC ZINC000095094862 169313071 /nfs/dbraw/zinc/31/30/71/169313071.db2.gz YGPZKWLVPLXDDU-UHFFFAOYSA-N 0 3 207.317 2.893 40 0 BFABHN CCCOc1cccc([C@H](C)NCCOC)c1 ZINC000225166091 169325612 /nfs/dbraw/zinc/32/56/12/169325612.db2.gz OTGHLFFXEAHSBJ-LBPRGKRZSA-N 0 3 237.343 2.772 40 0 BFABHN CCCOc1ccccc1CNC(C)C ZINC000020924589 169326532 /nfs/dbraw/zinc/32/65/32/169326532.db2.gz HCCFIVIGPUERQI-UHFFFAOYSA-N 0 3 207.317 2.973 40 0 BFABHN CN(C)CC[C@H](C(=O)C(C)(C)C)c1ccccn1 ZINC000001675596 383920380 /nfs/dbraw/zinc/92/03/80/383920380.db2.gz WHFIZBVXVJYPFM-LBPRGKRZSA-N 0 3 248.370 2.732 40 0 in-vitro BFABHN CCCOc1ccc(OC)cc1CNCC ZINC000034655913 383980901 /nfs/dbraw/zinc/98/09/01/383980901.db2.gz XBQWQKRVBCXOBI-UHFFFAOYSA-N 0 3 223.316 2.594 40 0 BFABHN Cc1ccc2nc(Cl)c(CN)cc2c1 ZINC000089261645 383955377 /nfs/dbraw/zinc/95/53/77/383955377.db2.gz MCACDQTUEHLLHM-UHFFFAOYSA-N 0 3 206.676 2.655 40 0 BFABHN Cc1ccc(CN(C)C)cc1Br ZINC000090413896 384047046 /nfs/dbraw/zinc/04/70/46/384047046.db2.gz XINZRFZLHICLJT-UHFFFAOYSA-N 0 3 228.133 2.819 40 0 BFABHN CN1CC=C(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000073636242 384028553 /nfs/dbraw/zinc/02/85/53/384028553.db2.gz RIUQWXFYPVWSKR-UHFFFAOYSA-N 0 3 247.729 2.935 40 0 BFABHN c1cncc([C@H]2CCN[C@H](c3cccnc3)C2)c1 ZINC000004654769 384073266 /nfs/dbraw/zinc/07/32/66/384073266.db2.gz COWQBMIVVHLMNO-WFASDCNBSA-N 0 3 239.322 2.685 40 0 in-vitro BFABHN c1ccc2c(c1)[nH]c1c2CCN2CCC[C@H]12 ZINC000006576349 384158628 /nfs/dbraw/zinc/15/86/28/384158628.db2.gz LXJWBHIVLXMHDZ-CYBMUJFWSA-N 0 3 212.296 2.861 40 0 in-vitro BFABHN c1ccc([C@@H]2CCCN2c2ccncc2)nc1 ZINC000072356930 384209731 /nfs/dbraw/zinc/20/97/31/384209731.db2.gz KTCUKKXOWCASOR-AWEZNQCLSA-N 0 3 225.295 2.818 40 0 BFABHN C[C@H](NCc1ccccc1)O[C@@H]1CCCCO1 ZINC000075629615 384333017 /nfs/dbraw/zinc/33/30/17/384333017.db2.gz UBAVGIJCQUFVAA-TZMCWYRMSA-N 0 3 235.327 2.665 40 0 BFABHN COC[C@@]12CCC[C@@H]1CN(Cc1ccoc1)C2 ZINC000096109134 384433921 /nfs/dbraw/zinc/43/39/21/384433921.db2.gz JINGZKUJMCPPCT-KGLIPLIRSA-N 0 3 235.327 2.528 40 0 BFABHN CCCc1ccc(C2(O)CCN(C)CC2)cc1 ZINC000055241713 384876484 /nfs/dbraw/zinc/87/64/84/384876484.db2.gz VSUQJJFXUQJEPE-UHFFFAOYSA-N 0 3 233.355 2.552 40 0 BFABHN COc1c(CNC2CC2)ccc(C)c1C ZINC000095094882 384958065 /nfs/dbraw/zinc/95/80/65/384958065.db2.gz ZVQZDHHPUISLFO-UHFFFAOYSA-N 0 3 205.301 2.564 40 0 BFABHN CCCN1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212378 385075046 /nfs/dbraw/zinc/07/50/46/385075046.db2.gz ZALWXEXEMMPSQM-GFCCVEGCSA-N 0 3 219.332 2.601 40 0 BFABHN CCN(C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072212731 385079490 /nfs/dbraw/zinc/07/94/90/385079490.db2.gz VYFXNGMAZYRLCR-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CC(C)CNc1ncccc1[C@@H]1CCCN1C ZINC000072213239 385079553 /nfs/dbraw/zinc/07/95/53/385079553.db2.gz NNHAVFOERAWROM-ZDUSSCGKSA-N 0 3 233.359 2.916 40 0 BFABHN CCN(C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072212730 385080632 /nfs/dbraw/zinc/08/06/32/385080632.db2.gz VYFXNGMAZYRLCR-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN COc1ccc(OC)c([C@@H]2CCCCN2C)c1 ZINC000072221880 385110672 /nfs/dbraw/zinc/11/06/72/385110672.db2.gz JRQCNXGGQADSMO-ZDUSSCGKSA-N 0 3 235.327 2.861 40 0 BFABHN COc1cc(C)c([C@@H]2CCCCN2C)cn1 ZINC000072218030 385087481 /nfs/dbraw/zinc/08/74/81/385087481.db2.gz YSKDLSHHGZESFB-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN CN1CCCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215937 385092658 /nfs/dbraw/zinc/09/26/58/385092658.db2.gz QVODXARGPBHTOF-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN Cc1nc(Cl)ccc1[C@H]1CCCCN1 ZINC000072217913 385092966 /nfs/dbraw/zinc/09/29/66/385092966.db2.gz KFTHMVKCXINEPX-SNVBAGLBSA-N 0 3 210.708 2.858 40 0 BFABHN CN1CCC[C@@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216027 385094246 /nfs/dbraw/zinc/09/42/46/385094246.db2.gz KFZYHJKUTLGMLP-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN CCN1CCC[C@@H]1c1ccc(N(C)C)nc1C ZINC000072218731 385103246 /nfs/dbraw/zinc/10/32/46/385103246.db2.gz BEKOXTWNHIBRFW-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN CNc1ncc([C@H]2CCCCN2C)cc1C ZINC000072218995 385103683 /nfs/dbraw/zinc/10/36/83/385103683.db2.gz NWPMIMILVQVCCK-GFCCVEGCSA-N 0 3 219.332 2.589 40 0 BFABHN CNc1cc(C)c([C@H]2CCCCN2C)cn1 ZINC000072219055 385104263 /nfs/dbraw/zinc/10/42/63/385104263.db2.gz LCDOBOOQBQQVBE-GFCCVEGCSA-N 0 3 219.332 2.589 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(NC)cc1C ZINC000072219057 385104926 /nfs/dbraw/zinc/10/49/26/385104926.db2.gz KXWBPAZSKQBKOE-ZDUSSCGKSA-N 0 3 233.359 2.979 40 0 BFABHN C[C@H](N)c1ccn(CCCC2CCCC2)n1 ZINC000096524128 385272871 /nfs/dbraw/zinc/27/28/71/385272871.db2.gz XBOAYCGAQVSGFN-NSHDSACASA-N 0 3 221.348 2.873 40 0 BFABHN C[C@H](NCc1ccsc1)[C@@H](O)c1ccccc1 ZINC000022076633 385890768 /nfs/dbraw/zinc/89/07/68/385890768.db2.gz ATELECFPJVUZCB-SMDDNHRTSA-N 0 3 247.363 2.960 40 0 BFABHN CC[C@@H](C)n1c(C)cc(CNCCOC)c1C ZINC000223676215 386092679 /nfs/dbraw/zinc/09/26/79/386092679.db2.gz HBLPTSZDXYYGPK-LLVKDONJSA-N 0 3 238.375 2.812 40 0 BFABHN NC[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000038808897 386142306 /nfs/dbraw/zinc/14/23/06/386142306.db2.gz XPNKTKNBJXYUKL-ZDUSSCGKSA-N 0 3 238.762 2.826 40 0 BFABHN CCc1ccc(CNCc2ccccc2)n1C ZINC000226019578 386232013 /nfs/dbraw/zinc/23/20/13/386232013.db2.gz VEIMZXHRMIYWHT-UHFFFAOYSA-N 0 3 228.339 2.877 40 0 BFABHN CCC[C@@H](NC)C(=O)c1ccc(Cl)cc1 ZINC000575440694 387134880 /nfs/dbraw/zinc/13/48/80/387134880.db2.gz OPCMVVKRCLOEDQ-LLVKDONJSA-N 0 3 225.719 2.911 40 0 in-vitro BFABHN CCCCCNCc1ccn(C(F)F)n1 ZINC000256051217 387858554 /nfs/dbraw/zinc/85/85/54/387858554.db2.gz IGAWYAPGJYEJDN-UHFFFAOYSA-N 0 3 217.263 2.558 40 0 BFABHN CCCCCCNCc1c(C)nn(C)c1F ZINC000256050613 387859510 /nfs/dbraw/zinc/85/95/10/387859510.db2.gz FTFMPJZSFDQRJN-UHFFFAOYSA-N 0 3 227.327 2.538 40 0 BFABHN CCCCCCNCc1ccnn1C(F)F ZINC000256053204 387860857 /nfs/dbraw/zinc/86/08/57/387860857.db2.gz QMSHQPTZBWJOGG-UHFFFAOYSA-N 0 3 231.290 2.948 40 0 BFABHN CCCCCCNCc1cnn(CC)c1F ZINC000256055108 387862225 /nfs/dbraw/zinc/86/22/25/387862225.db2.gz ZFWZWNPFALSFFD-UHFFFAOYSA-N 0 3 227.327 2.712 40 0 BFABHN Cc1ccc(C)c(SC2=NCCCN2)c1 ZINC000226820255 388355483 /nfs/dbraw/zinc/35/54/83/388355483.db2.gz NJYBQUBVURRGMI-UHFFFAOYSA-N 0 3 220.341 2.745 40 0 BFABHN CN(C)CC(C)(C)C(=O)c1ccc(F)cc1 ZINC000001735254 388586911 /nfs/dbraw/zinc/58/69/11/388586911.db2.gz UJLROQUZWIPOLT-UHFFFAOYSA-N 0 3 223.291 2.596 40 0 BFABHN CCO[C@@H](CN)c1cccc(C(F)(F)F)c1 ZINC000062711953 388655492 /nfs/dbraw/zinc/65/54/92/388655492.db2.gz VPFWQLQLBCKLRR-JTQLQIEISA-N 0 3 233.233 2.742 40 0 BFABHN CCC[C@H](NC)C(=O)c1ccc2c(c1)CCC2 ZINC000299817367 388848173 /nfs/dbraw/zinc/84/81/73/388848173.db2.gz ZCTUUSNQUQURDL-AWEZNQCLSA-N 0 3 231.339 2.746 40 0 in-vitro BFABHN CC(C)O[C@H](CN)c1ccccc1Cl ZINC000043087721 167282189 /nfs/dbraw/zinc/28/21/89/167282189.db2.gz XKVBXFWPEVSQDW-LLVKDONJSA-N 0 3 213.708 2.765 40 0 BFABHN CCNCc1cc(C)ccc1OC(C)C ZINC000070954876 170125929 /nfs/dbraw/zinc/12/59/29/170125929.db2.gz UVBKZBOJJREKEF-UHFFFAOYSA-N 0 3 207.317 2.892 40 0 BFABHN CCN[C@@H](CC)c1ccc(OC)cc1OC ZINC000035546005 170143745 /nfs/dbraw/zinc/14/37/45/170143745.db2.gz DJFYWLOYHFPNJQ-LBPRGKRZSA-N 0 3 223.316 2.764 40 0 BFABHN CCOc1c(CN[C@H](C)CC)cccc1OC ZINC000008326025 170514371 /nfs/dbraw/zinc/51/43/71/170514371.db2.gz MRSZDPLRBMCXGH-LLVKDONJSA-N 0 3 237.343 2.982 40 0 BFABHN CN1CCCC[C@H]1[C@H](O)c1ccc(Cl)cc1 ZINC000001683252 173009603 /nfs/dbraw/zinc/00/96/03/173009603.db2.gz MTLXGAVDIYSMKB-QWHCGFSZSA-N 0 3 239.746 2.858 40 0 BFABHN CN1[C@H]2C=C(c3ccc(Cl)nc3)C[C@@H]1CC2 ZINC000000017560 173206500 /nfs/dbraw/zinc/20/65/00/173206500.db2.gz XRBRBRUNDFTBCC-NEPJUHHUSA-N 0 3 234.730 2.985 40 0 BFABHN CN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001718673 173458174 /nfs/dbraw/zinc/45/81/74/173458174.db2.gz BLDFSDCBQJUWFG-CABCVRRESA-N 0 3 227.307 2.681 40 0 BFABHN COc1ccc(CNCc2ccc(C)n2C)cc1 ZINC000226019010 175107945 /nfs/dbraw/zinc/10/79/45/175107945.db2.gz QWAZNEWRCKEFON-UHFFFAOYSA-N 0 3 244.338 2.632 40 0 BFABHN COc1ccc([C@@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963606 175177377 /nfs/dbraw/zinc/17/73/77/175177377.db2.gz NICCLSBWWUDBHY-BXUZGUMPSA-N 0 3 235.327 2.525 40 0 BFABHN Cc1nnsc1CN(C)C1(C)CCCC1 ZINC000570727638 323068851 /nfs/dbraw/zinc/06/88/51/323068851.db2.gz RWWSDXRAUCFIIM-UHFFFAOYSA-N 0 3 225.361 2.611 40 0 BFABHN CC[C@@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000001664860 535566711 /nfs/dbraw/zinc/56/67/11/535566711.db2.gz NVCSFEBABPLCIT-CYBMUJFWSA-N 0 3 248.370 2.616 40 0 BFABHN Cc1cc(OCCN(C)C)cc(C)c1Cl ZINC000001718680 178210770 /nfs/dbraw/zinc/21/07/70/178210770.db2.gz VZKTVBHNALAIMG-UHFFFAOYSA-N 0 3 227.735 2.897 40 0 BFABHN Cc1ccc(-n2cccc2CN)cc1Cl ZINC000223687176 178346758 /nfs/dbraw/zinc/34/67/58/178346758.db2.gz SOKFWMYWUQZDTF-UHFFFAOYSA-N 0 3 220.703 2.898 40 0 BFABHN Cc1ccc(-n2cccc2CN)c(C)c1 ZINC000023993759 178347082 /nfs/dbraw/zinc/34/70/82/178347082.db2.gz HSWHECCYWMDXLW-UHFFFAOYSA-N 0 3 200.285 2.553 40 0 BFABHN CCN1CCCC[C@H]1c1cccnc1NC ZINC000072212553 259317173 /nfs/dbraw/zinc/31/71/73/259317173.db2.gz UDRGQNJODISMJB-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CN(C)Cc1ccccc1CC1(O)CCCC1 ZINC000001713503 342710607 /nfs/dbraw/zinc/71/06/07/342710607.db2.gz RYPSBFVYGXWHFL-UHFFFAOYSA-N 0 3 233.355 2.596 40 0 BFABHN CSc1ncccc1[C@H]1CCCN1C ZINC000072216926 259317890 /nfs/dbraw/zinc/31/78/90/259317890.db2.gz YNDNPNAULCMPDB-SNVBAGLBSA-N 0 3 208.330 2.570 40 0 BFABHN c1cnc(NC2CCC2)c([C@@H]2CCCCN2)c1 ZINC000072213910 259318378 /nfs/dbraw/zinc/31/83/78/259318378.db2.gz ZLHYWIVOOHYQRX-ZDUSSCGKSA-N 0 3 231.343 2.861 40 0 BFABHN Cc1cc([C@H]2CCCCN2C)c[nH]c1=S ZINC000072218275 259318396 /nfs/dbraw/zinc/31/83/96/259318396.db2.gz APSMQBIOZXCFOG-LLVKDONJSA-N 0 3 222.357 2.836 40 0 BFABHN N[C@@H]1CC(=O)c2c(Cl)sc(Cl)c21 ZINC000003593483 342734958 /nfs/dbraw/zinc/73/49/58/342734958.db2.gz BAGAALISAFYOGI-UWTATZPHSA-N 0 3 222.096 2.641 40 0 BFABHN CC(C)N1CC[C@@H](OC(=O)Nc2ccccc2)C1 ZINC000005640981 342767554 /nfs/dbraw/zinc/76/75/54/342767554.db2.gz WNCJMZVHWSLECL-CYBMUJFWSA-N 0 3 248.326 2.718 40 0 BFABHN CCOc1c(CN[C@@H](C)CC)cccc1OC ZINC000008326775 342797961 /nfs/dbraw/zinc/79/79/61/342797961.db2.gz MRSZDPLRBMCXGH-NSHDSACASA-N 0 3 237.343 2.982 40 0 BFABHN Cc1nc(SC(C)(C)C)ccc1CN ZINC000072224900 259321983 /nfs/dbraw/zinc/32/19/83/259321983.db2.gz KYXMMVLGIKWZEM-UHFFFAOYSA-N 0 3 210.346 2.739 40 0 BFABHN Cc1nc(Sc2ccccc2)ccc1CN ZINC000072224219 259322053 /nfs/dbraw/zinc/32/20/53/259322053.db2.gz IBRVBBXJUZBERI-UHFFFAOYSA-N 0 3 230.336 3.000 40 0 BFABHN CCOc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225170 259322180 /nfs/dbraw/zinc/32/21/80/259322180.db2.gz HIWNOBXHFBJTAW-AWEZNQCLSA-N 0 3 228.295 2.528 40 0 BFABHN CCCC[C@H](CC)C1N(C)CCCN1C ZINC000019319383 342945416 /nfs/dbraw/zinc/94/54/16/342945416.db2.gz WPWCLYYNJKTGOQ-LBPRGKRZSA-N 0 3 212.381 2.796 40 0 BFABHN CCOc1ccccc1[C@H](C)NCCCOC ZINC000020142609 342971693 /nfs/dbraw/zinc/97/16/93/342971693.db2.gz VNSXHFFRFCERMI-LBPRGKRZSA-N 0 3 237.343 2.772 40 0 BFABHN NCc1cccn1-c1cccc(Cl)c1 ZINC000023993765 343068251 /nfs/dbraw/zinc/06/82/51/343068251.db2.gz BODHVQRHWVXTQV-UHFFFAOYSA-N 0 3 206.676 2.589 40 0 BFABHN CC(C)(CO)NCc1ccc(Cl)c(Cl)c1 ZINC000001755873 187245439 /nfs/dbraw/zinc/24/54/39/187245439.db2.gz IZGKPQZVDBIZCZ-UHFFFAOYSA-N 0 3 248.153 2.854 40 0 BFABHN CCCn1c(CNC)nc2cc(Cl)ccc21 ZINC000037440571 343345353 /nfs/dbraw/zinc/34/53/53/343345353.db2.gz XXJOEEQKBORTSS-UHFFFAOYSA-N 0 3 237.734 2.819 40 0 BFABHN FC(F)(F)COc1ccccc1CNC1CC1 ZINC000034659167 136322350 /nfs/dbraw/zinc/32/23/50/136322350.db2.gz CFDSICGYSMBRBB-UHFFFAOYSA-N 0 3 245.244 2.880 40 0 BFABHN CC[C@@H](c1ccccc1)N(C)C(=O)[C@@H](N)C(C)C ZINC000079418735 343400759 /nfs/dbraw/zinc/40/07/59/343400759.db2.gz OIELLIGGYXPQHX-KBPBESRZSA-N 0 3 248.370 2.579 40 0 BFABHN CCN1[C@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000260825951 323128691 /nfs/dbraw/zinc/12/86/91/323128691.db2.gz WRQVWPDZJOZRFL-MFKMUULPSA-N 0 3 206.333 2.978 40 0 BFABHN Cc1ccc(CNCc2cccn2C)cc1 ZINC000007538094 346661790 /nfs/dbraw/zinc/66/17/90/346661790.db2.gz ILTBASNFPRWSDD-UHFFFAOYSA-N 0 3 214.312 2.623 40 0 BFABHN C[C@@H](NCc1ccsc1)[C@@H](O)c1ccccc1 ZINC000022076631 350070394 /nfs/dbraw/zinc/07/03/94/350070394.db2.gz ATELECFPJVUZCB-BXUZGUMPSA-N 0 3 247.363 2.960 40 0 BFABHN CCOc1ccccc1N1CCCC1=N ZINC000008048470 350119826 /nfs/dbraw/zinc/11/98/26/350119826.db2.gz PIHKDZMIGRQRGS-UHFFFAOYSA-N 0 3 204.273 2.663 40 0 BFABHN Cc1c2c(nc(N)n2C)c2cccnc2c1Cl ZINC000015020149 350846972 /nfs/dbraw/zinc/84/69/72/350846972.db2.gz DERKFPUIILAJOW-UHFFFAOYSA-N 0 3 246.701 2.666 40 0 BFABHN CC(C)CN1CCCC[C@H]1c1cc[nH]n1 ZINC000257253637 351042919 /nfs/dbraw/zinc/04/29/19/351042919.db2.gz JZRLVPUYMVIHSV-LBPRGKRZSA-N 0 3 207.321 2.593 40 0 BFABHN C/C(=C1\c2ccccc2NC1=O)c1cccnc1 ZINC000011535709 187586726 /nfs/dbraw/zinc/58/67/26/187586726.db2.gz YQGXNIFBCURDSC-UVTDQMKNSA-N 0 3 236.274 2.964 40 0 BFABHN Cc1ccc(C)c(NC(=O)C2CCN(C)CC2)c1 ZINC000074713316 188308215 /nfs/dbraw/zinc/30/82/15/188308215.db2.gz ORUQVYITLAHHMT-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN Fc1ccccc1-c1nc2c(s1)CNCC2 ZINC000053335594 181009418 /nfs/dbraw/zinc/00/94/18/181009418.db2.gz XZWBVOXGFWVENX-UHFFFAOYSA-N 0 3 234.299 2.595 40 0 BFABHN Cn1ccc(CN2CCC[C@@H]2c2cccnc2)c1 ZINC000335149167 354863447 /nfs/dbraw/zinc/86/34/47/354863447.db2.gz JABSYWFCDVTOCE-OAHLLOKOSA-N 0 3 241.338 2.757 40 0 BFABHN CCCC[C@@H](NC)C(=O)c1ccccc1 ZINC000299817089 369384823 /nfs/dbraw/zinc/38/48/23/369384823.db2.gz BHIZKPHLTVLXIV-GFCCVEGCSA-N 0 3 205.301 2.648 40 0 in-vitro BFABHN C[C@H]1CCCN([C@H](CN)c2ccccc2F)C1 ZINC000108018401 369371269 /nfs/dbraw/zinc/37/12/69/369371269.db2.gz VPHYZNNRJQDDPC-SMDDNHRTSA-N 0 3 236.334 2.557 40 0 BFABHN N[C@H]1CC(=O)c2c(Cl)sc(Cl)c21 ZINC000001638247 181638615 /nfs/dbraw/zinc/63/86/15/181638615.db2.gz BAGAALISAFYOGI-REOHCLBHSA-N 0 3 222.096 2.641 40 0 BFABHN [O-]c1ccc2c(c1)CC[N+]1=C2CC[C@@H]2CCC[C@H]21 ZINC000001718904 183279845 /nfs/dbraw/zinc/27/98/45/183279845.db2.gz AFZUMYMXNCDSQR-XHDPSFHLSA-O 0 3 242.342 2.712 40 0 in-man BFABHN NCc1cncc(-c2cccc(Cl)c2)c1 ZINC000091351622 384120685 /nfs/dbraw/zinc/12/06/85/384120685.db2.gz QBGDXWUBBXQAOW-UHFFFAOYSA-N 0 3 218.687 2.861 40 0 BFABHN CC[C@H](c1ccccc1)N(C(=O)[C@H](C)N)C(C)C ZINC000079421262 384141951 /nfs/dbraw/zinc/14/19/51/384141951.db2.gz MOIDWJJBYDBHIQ-GXTWGEPZSA-N 0 3 248.370 2.722 40 0 BFABHN CCc1ccc(CNCc2ccncc2)cc1 ZINC000006870940 384168810 /nfs/dbraw/zinc/16/88/10/384168810.db2.gz ZKDMSYFHSIKAAP-UHFFFAOYSA-N 0 3 226.323 2.934 40 0 BFABHN Cc1cc(C)nc([C@H]2CCCN(CC3CC3)C2)n1 ZINC000072361368 384212806 /nfs/dbraw/zinc/21/28/06/384212806.db2.gz JFJHLZUCMIEQFS-AWEZNQCLSA-N 0 3 245.370 2.683 40 0 BFABHN NCc1cn(-c2ccc(Cl)cc2Cl)cn1 ZINC000082550305 384312861 /nfs/dbraw/zinc/31/28/61/384312861.db2.gz WZNQRORAMLYPJD-UHFFFAOYSA-N 0 3 242.109 2.638 40 0 BFABHN Cc1ccc([C@@H](N)c2ccncc2)c(C)c1 ZINC000011737351 384295811 /nfs/dbraw/zinc/29/58/11/384295811.db2.gz GCSAYVGGNLEYAY-AWEZNQCLSA-N 0 3 212.296 2.747 40 0 BFABHN C[C@@H](NCc1ccccc1)O[C@H]1CCCCO1 ZINC000075629616 384333030 /nfs/dbraw/zinc/33/30/30/384333030.db2.gz UBAVGIJCQUFVAA-JSGCOSHPSA-N 0 3 235.327 2.665 40 0 BFABHN N[C@H](c1ncccc1C(F)(F)F)C1CC1 ZINC000238582028 384500128 /nfs/dbraw/zinc/50/01/28/384500128.db2.gz VYALZZLVVHXXNB-QMMMGPOBSA-N 0 3 216.206 2.510 40 0 BFABHN CCCCNCc1cc(OC)ccc1OC ZINC000019907129 384557091 /nfs/dbraw/zinc/55/70/91/384557091.db2.gz KJTSROVZCOXPLQ-UHFFFAOYSA-N 0 3 223.316 2.594 40 0 BFABHN C[C@H](NC(C)(C)C)C(=O)c1ccc(F)cc1 ZINC000022059418 384728168 /nfs/dbraw/zinc/72/81/68/384728168.db2.gz YTBHJXDTSQSFCF-VIFPVBQESA-N 0 3 223.291 2.785 40 0 in-vitro BFABHN CC(C)N1CCC(O)(c2ccccc2F)CC1 ZINC000052887875 384754300 /nfs/dbraw/zinc/75/43/00/384754300.db2.gz ACBGKLVTYJFSHX-UHFFFAOYSA-N 0 3 237.318 2.518 40 0 BFABHN CC(C)c1ccc(C2(O)CCN(C)CC2)cc1 ZINC000055241249 384875447 /nfs/dbraw/zinc/87/54/47/384875447.db2.gz PKYYNIQNXBJSTA-UHFFFAOYSA-N 0 3 233.355 2.723 40 0 BFABHN CN[C@H](Cc1ccccc1)c1ccco1 ZINC000017023736 384996329 /nfs/dbraw/zinc/99/63/29/384996329.db2.gz OJYCNSIKWPZXHW-GFCCVEGCSA-N 0 3 201.269 2.783 40 0 BFABHN CCOc1c(C)cccc1CNC(C)C ZINC000095094839 384962811 /nfs/dbraw/zinc/96/28/11/384962811.db2.gz ASFHQEVJYQZNQR-UHFFFAOYSA-N 0 3 207.317 2.892 40 0 BFABHN COc1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072211665 385071688 /nfs/dbraw/zinc/07/16/88/385071688.db2.gz QCYODRFILJSDMQ-LBPRGKRZSA-N 0 3 220.316 2.636 40 0 BFABHN CCCN1CCC[C@H]1c1cccnc1NC ZINC000072212538 385074534 /nfs/dbraw/zinc/07/45/34/385074534.db2.gz XKIBPOPCTHPNDR-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CC(C)Oc1ncccc1[C@@H]1CCCCN1 ZINC000072211971 385074843 /nfs/dbraw/zinc/07/48/43/385074843.db2.gz XBGSWSSTABEIGB-LBPRGKRZSA-N 0 3 220.316 2.683 40 0 BFABHN CC(C)N1CCCC[C@@H]1c1ccc(N)nc1 ZINC000072212380 385074879 /nfs/dbraw/zinc/07/48/79/385074879.db2.gz LSKYTWZYNWVZJE-GFCCVEGCSA-N 0 3 219.332 2.599 40 0 BFABHN CCCN1CCCC[C@H]1c1cccnc1N ZINC000072212435 385075363 /nfs/dbraw/zinc/07/53/63/385075363.db2.gz VZMQFYHZYNRAFR-LBPRGKRZSA-N 0 3 219.332 2.601 40 0 BFABHN CCN(C)c1ncccc1[C@@H]1CCCCN1C ZINC000072212790 385078284 /nfs/dbraw/zinc/07/82/84/385078284.db2.gz DLXGNZADGKYYIG-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCN(CC)c1ccc([C@H]2CCCN2C)cn1 ZINC000072212822 385079285 /nfs/dbraw/zinc/07/92/85/385079285.db2.gz FOQKKGFZDRJLOB-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN C=Cc1cnc(N2CCN(C(C)C)CC2)c(C)c1 ZINC000072222675 385112704 /nfs/dbraw/zinc/11/27/04/385112704.db2.gz YWHWQNBUWRAGIR-UHFFFAOYSA-N 0 3 245.370 2.563 40 0 BFABHN Cc1cc([C@@H]2CCCCN2)cnc1Cl ZINC000072217792 385092774 /nfs/dbraw/zinc/09/27/74/385092774.db2.gz OFHPQKDEULZUGP-JTQLQIEISA-N 0 3 210.708 2.858 40 0 BFABHN Cc1cc(Cl)ncc1[C@@H]1CCCCN1 ZINC000072217852 385092821 /nfs/dbraw/zinc/09/28/21/385092821.db2.gz XZUFXNBGYBPEGF-JTQLQIEISA-N 0 3 210.708 2.858 40 0 BFABHN CSc1ncccc1[C@H]1CCCCN1 ZINC000072216954 385096605 /nfs/dbraw/zinc/09/66/05/385096605.db2.gz OGQGLJPJGMZJOV-SNVBAGLBSA-N 0 3 208.330 2.618 40 0 BFABHN Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C ZINC000072218694 385105029 /nfs/dbraw/zinc/10/50/29/385105029.db2.gz DQEMMSZSOUZWSW-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN CCCCNCc1cn(Cc2ccccc2)cn1 ZINC000575414956 385262180 /nfs/dbraw/zinc/26/21/80/385262180.db2.gz CJLKSWJLQYHJJT-UHFFFAOYSA-N 0 3 243.354 2.821 40 0 BFABHN Cc1cc(-c2cccc([C@@H]3CCCN3C)n2)n[nH]1 ZINC000257301183 385760448 /nfs/dbraw/zinc/76/04/48/385760448.db2.gz RXILUVADEOGYKW-AWEZNQCLSA-N 0 3 242.326 2.547 40 0 BFABHN Cc1cc(-c2cccc([C@H]3CCCN3C)n2)n[nH]1 ZINC000257301184 385761131 /nfs/dbraw/zinc/76/11/31/385761131.db2.gz RXILUVADEOGYKW-CQSZACIVSA-N 0 3 242.326 2.547 40 0 BFABHN c1ccc2c(c1)nccc2[C@@H]1CSCCN1 ZINC000306145950 385994947 /nfs/dbraw/zinc/99/49/47/385994947.db2.gz WZLDEEKAZZHEME-ZDUSSCGKSA-N 0 3 230.336 2.612 40 0 BFABHN Cc1ccc2ncn(CN3CCCCC3)c2c1 ZINC000059501927 386484425 /nfs/dbraw/zinc/48/44/25/386484425.db2.gz PJOKWKGPTWNTEF-UHFFFAOYSA-N 0 3 229.327 2.788 40 0 BFABHN O=Cc1ccccc1CN1CCCCCC1 ZINC000095738922 387005317 /nfs/dbraw/zinc/00/53/17/387005317.db2.gz KLNNPKPBNDYWFG-UHFFFAOYSA-N 0 3 217.312 2.875 40 0 BFABHN CCCCCNCc1ccnn1C(C)C ZINC000256052618 387861209 /nfs/dbraw/zinc/86/12/09/387861209.db2.gz OBCVNZSNQFUTTQ-UHFFFAOYSA-N 0 3 209.337 2.744 40 0 BFABHN CSc1ccc(C(=O)CCN(C)C)cc1 ZINC000238409473 388026703 /nfs/dbraw/zinc/02/67/03/388026703.db2.gz LTIHNVQZACNFDN-UHFFFAOYSA-N 0 3 223.341 2.543 40 0 BFABHN CC(C)c1nc(C(F)(F)F)ccc1CN ZINC000252510292 388654066 /nfs/dbraw/zinc/65/40/66/388654066.db2.gz ZGGZGPFZLBSYBA-UHFFFAOYSA-N 0 3 218.222 2.683 40 0 BFABHN CN(C)[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000019861956 388749538 /nfs/dbraw/zinc/74/95/38/388749538.db2.gz WSDUPQJQYOYFPN-SNVBAGLBSA-N 0 3 233.142 2.555 40 0 BFABHN Cc1ncc(CN(C)C2CCC(C)CC2)cn1 ZINC000335311638 136029481 /nfs/dbraw/zinc/02/94/81/136029481.db2.gz KUUZYJQCLHWUIK-UHFFFAOYSA-N 0 3 233.359 2.796 40 0 BFABHN CCCNCc1cc(OC)ccc1OCC ZINC000034655971 398078423 /nfs/dbraw/zinc/07/84/23/398078423.db2.gz RFQWSELDEAKDIA-UHFFFAOYSA-N 0 3 223.316 2.594 40 0 BFABHN CCN(CC)Cc1ccc(OC)cc1OC ZINC000123254283 169790836 /nfs/dbraw/zinc/79/08/36/169790836.db2.gz ACLSKGLCNJYGTP-UHFFFAOYSA-N 0 3 223.316 2.546 40 0 BFABHN CC12CCC(CC1)C(C)(C)N=C(N)S2 ZINC000011525669 168073711 /nfs/dbraw/zinc/07/37/11/168073711.db2.gz ARZRFLIUCWJGRK-UHFFFAOYSA-N 0 3 212.362 2.775 40 0 BFABHN CC1CCN(CCOc2ccccc2C=O)CC1 ZINC000009237565 168182565 /nfs/dbraw/zinc/18/25/65/168182565.db2.gz BXJDSPKEQLSJQN-UHFFFAOYSA-N 0 3 247.338 2.610 40 0 BFABHN CC1CCN(Cc2ccccc2C=O)CC1 ZINC000095738632 168183835 /nfs/dbraw/zinc/18/38/35/168183835.db2.gz BELRMABUZYLFLI-UHFFFAOYSA-N 0 3 217.312 2.731 40 0 BFABHN CC1CCN(Cc2cccc(C=O)c2)CC1 ZINC000095738631 168184833 /nfs/dbraw/zinc/18/48/33/168184833.db2.gz RSQIMNIBUGUTDR-UHFFFAOYSA-N 0 3 217.312 2.731 40 0 BFABHN CC[C@@H]1CNCc2cc3cccc(C)c3nc2O1 ZINC000019500981 171101783 /nfs/dbraw/zinc/10/17/83/171101783.db2.gz HOISUKPDDHBXID-CYBMUJFWSA-N 0 3 242.322 2.804 40 0 BFABHN CC[C@H](C)NCc1ccc(OC)cc1OC ZINC000008326755 171343287 /nfs/dbraw/zinc/34/32/87/171343287.db2.gz MTNRVSGVXMTQOC-JTQLQIEISA-N 0 3 223.316 2.592 40 0 BFABHN CCc1nc2c(s1)[C@@H](C(C)C)NCC2 ZINC000218331584 172009156 /nfs/dbraw/zinc/00/91/56/172009156.db2.gz JUHQHJJUTQUBBE-SNVBAGLBSA-N 0 3 210.346 2.548 40 0 BFABHN CN1CC[C@H](c2nc3ccccc3s2)C1 ZINC000049168932 173157435 /nfs/dbraw/zinc/15/74/35/173157435.db2.gz CKWCOCJRMUMBCD-VIFPVBQESA-N 0 3 218.325 2.715 40 0 biogenic,in-vitro BFABHN CNCC(Oc1ccccc1)Oc1ccccc1 ZINC000002381640 173338148 /nfs/dbraw/zinc/33/81/48/173338148.db2.gz ZWIHFGNGXRCIIL-UHFFFAOYSA-N 0 3 243.306 2.690 40 0 BFABHN COCCNCc1cccn1C1CCCCC1 ZINC000223690469 174335484 /nfs/dbraw/zinc/33/54/84/174335484.db2.gz TXURSUNJVLKYIM-UHFFFAOYSA-N 0 3 236.359 2.729 40 0 BFABHN COCCNCc1ccccc1OC1CCCC1 ZINC000032104770 174335587 /nfs/dbraw/zinc/33/55/87/174335587.db2.gz IDHNWDQPROJZHX-UHFFFAOYSA-N 0 3 249.354 2.744 40 0 BFABHN COCCN[C@@H](C)c1ccccc1OC(C)C ZINC000225160603 174338265 /nfs/dbraw/zinc/33/82/65/174338265.db2.gz BJNHXCMKWHDUJJ-LBPRGKRZSA-N 0 3 237.343 2.771 40 0 BFABHN COCCN[C@H](C)c1cccc(OC(C)C)c1 ZINC000179667350 174340280 /nfs/dbraw/zinc/34/02/80/174340280.db2.gz ATRQLLBIDSEDMF-GFCCVEGCSA-N 0 3 237.343 2.771 40 0 BFABHN COc1cc2c(cc1O)[C@@H](CC(C)C)N(C)CC2 ZINC000000898698 175023280 /nfs/dbraw/zinc/02/32/80/175023280.db2.gz GEHUGSUAESFIIV-CYBMUJFWSA-N 0 3 249.354 2.976 40 0 in-vitro BFABHN C[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000001685730 176096196 /nfs/dbraw/zinc/09/61/96/176096196.db2.gz PWJRCBZVIFAULR-CYBMUJFWSA-N 0 3 231.339 2.991 40 0 BFABHN C[C@H]1CC(C)(C)NC2=NC(C)(C)CC[C@@H]21 ZINC000002584395 177064228 /nfs/dbraw/zinc/06/42/28/177064228.db2.gz UIZGCTCJFKGHAI-VHSXEESVSA-N 0 3 208.349 2.982 40 0 BFABHN C[C@H]1CCCCN1Cc1ccccc1C=O ZINC000095738623 177076978 /nfs/dbraw/zinc/07/69/78/177076978.db2.gz BJRKTLFXFDUBEW-LBPRGKRZSA-N 0 3 217.312 2.874 40 0 BFABHN C[C@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000039619532 177102388 /nfs/dbraw/zinc/10/23/88/177102388.db2.gz QVDQDDRCNWEBIU-NSHDSACASA-N 0 3 205.301 2.624 40 0 BFABHN O=C(CCN1CC2CCC(CC2)C1)c1ccco1 ZINC000001615798 342705987 /nfs/dbraw/zinc/70/59/87/342705987.db2.gz OLLQHBORBMBJSA-UHFFFAOYSA-N 0 3 247.338 2.974 40 0 BFABHN CCN1CCCC[C@@H]1c1cccc(C)n1 ZINC000072211093 259317409 /nfs/dbraw/zinc/31/74/09/259317409.db2.gz SIEIWTTUOGNWLC-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CN1CC=C(c2ccc3[nH]ccc3c2)CC1 ZINC000002526994 342722638 /nfs/dbraw/zinc/72/26/38/342722638.db2.gz NLIAPQZSGWHLDK-UHFFFAOYSA-N 0 3 212.296 2.887 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(N)nc1C ZINC000072218577 259318370 /nfs/dbraw/zinc/31/83/70/259318370.db2.gz JWFCXPDYZNTVNG-LBPRGKRZSA-N 0 3 219.332 2.519 40 0 BFABHN Cc1cc(CN)cnc1Oc1ccccc1 ZINC000072222114 259319896 /nfs/dbraw/zinc/31/98/96/259319896.db2.gz HEWGWZZBVMHFED-UHFFFAOYSA-N 0 3 214.268 2.641 40 0 BFABHN Cc1[nH]c(=S)ccc1[C@@H](N)c1ccccc1 ZINC000072224836 259321671 /nfs/dbraw/zinc/32/16/71/259321671.db2.gz SXVWSGHKILFFFK-ZDUSSCGKSA-N 0 3 230.336 2.727 40 0 BFABHN CC(C)Nc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225074 259321696 /nfs/dbraw/zinc/32/16/96/259321696.db2.gz TWCOBOAFLHKBMT-HNNXBMFYSA-N 0 3 241.338 2.950 40 0 BFABHN CCN(C)c1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225248 259322426 /nfs/dbraw/zinc/32/24/26/259322426.db2.gz YPFDETXZMOUHHF-HNNXBMFYSA-N 0 3 241.338 2.586 40 0 BFABHN CCN(CC)CCOC(=O)/C=C\c1ccccc1 ZINC000017175260 342921843 /nfs/dbraw/zinc/92/18/43/342921843.db2.gz IOCWNULEZRQWMS-KHPPLWFESA-N 0 3 247.338 2.585 40 0 BFABHN CC1=CO[C@](C)([C@@H]2N[C@@H](C)CC(C)(C)N2)CC1 ZINC000019325714 342945744 /nfs/dbraw/zinc/94/57/44/342945744.db2.gz OCRUJCNPOFTYIS-SCRDCRAPSA-N 0 3 238.375 2.535 40 0 BFABHN CCOc1ccc(NCC2=CCNC=C2)cc1 ZINC000019419184 342948277 /nfs/dbraw/zinc/94/82/77/342948277.db2.gz XKTASGIUILDQRK-UHFFFAOYSA-N 0 3 230.311 2.541 40 0 BFABHN Fc1ccc(CCNCc2ccccn2)cc1 ZINC000019904196 342962350 /nfs/dbraw/zinc/96/23/50/342962350.db2.gz VJFCVAVTPQKFFO-UHFFFAOYSA-N 0 3 230.286 2.553 40 0 BFABHN CCOc1ccccc1[C@@H](C)NCCCOC ZINC000020142607 342971811 /nfs/dbraw/zinc/97/18/11/342971811.db2.gz VNSXHFFRFCERMI-GFCCVEGCSA-N 0 3 237.343 2.772 40 0 BFABHN CCOc1ccccc1[C@H](C)NC[C@@H]1CCCO1 ZINC000019963771 342965363 /nfs/dbraw/zinc/96/53/63/342965363.db2.gz ULLNWEZOXSSGKJ-STQMWFEESA-N 0 3 249.354 2.915 40 0 BFABHN Cc1ccc2[nH]c(CNC(C)(C)C)nc2c1 ZINC000022122051 343040381 /nfs/dbraw/zinc/04/03/81/343040381.db2.gz ZQBYCHKILJOXGZ-UHFFFAOYSA-N 0 3 217.316 2.759 40 0 BFABHN Cc1ccc2nc(CNC(C)(C)C)[nH]c2c1 ZINC000022122051 343040382 /nfs/dbraw/zinc/04/03/82/343040382.db2.gz ZQBYCHKILJOXGZ-UHFFFAOYSA-N 0 3 217.316 2.759 40 0 BFABHN CC(C)[C@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000000032354 187244036 /nfs/dbraw/zinc/24/40/36/187244036.db2.gz OBGGZBHESVNMSA-AWEZNQCLSA-N 0 3 242.322 2.762 40 0 in-vitro BFABHN Cc1nc([C@@H]2CCN(C(C)C)C2)c2sccn12 ZINC000257287950 180044683 /nfs/dbraw/zinc/04/46/83/180044683.db2.gz PSESOMSGLPJHRU-LLVKDONJSA-N 0 3 249.383 2.902 40 0 BFABHN CC(C)N(C(C)C)P1OC[C@@H](C)O1 ZINC000001560422 188273836 /nfs/dbraw/zinc/27/38/36/188273836.db2.gz GSMHVHZJGLRSDI-CGCSKFHYSA-N 0 3 205.238 2.767 40 0 BFABHN CC(C)N(CCO)Cc1cccc(Cl)c1 ZINC000049824758 188298640 /nfs/dbraw/zinc/29/86/40/188298640.db2.gz AWHDPRILFYIXJY-UHFFFAOYSA-N 0 3 227.735 2.543 40 0 BFABHN CNc1nccnc1[C@H]1CCCN1C1CCCC1 ZINC000072356829 188306697 /nfs/dbraw/zinc/30/66/97/188306697.db2.gz FBDGPSCCAKMSML-GFCCVEGCSA-N 0 3 246.358 2.598 40 0 BFABHN C[C@@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000006437191 353601698 /nfs/dbraw/zinc/60/16/98/353601698.db2.gz RFKHZTRHESXVAX-LBPRGKRZSA-N 0 3 249.354 2.754 40 0 BFABHN c1cc(CN2CC[C@H]2C2CC2)nc2c1CCC2 ZINC000334646398 354436214 /nfs/dbraw/zinc/43/62/14/354436214.db2.gz XDFOEXQZTYSFCU-HNNXBMFYSA-N 0 3 228.339 2.555 40 0 BFABHN CCSc1ncccc1[C@@H]1CCCN1C ZINC000072217166 259528196 /nfs/dbraw/zinc/52/81/96/259528196.db2.gz VDBAEEACDVEACM-NSHDSACASA-N 0 3 222.357 2.960 40 0 BFABHN Cc1cn2c(CNC(C)C)c(Cl)nc2s1 ZINC000256054442 370638118 /nfs/dbraw/zinc/63/81/18/370638118.db2.gz WGRRVHWPHZJKII-UHFFFAOYSA-N 0 3 243.763 2.856 40 0 BFABHN N[C@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000005604221 181622151 /nfs/dbraw/zinc/62/21/51/181622151.db2.gz JBNGFPIHGVZGFZ-CQSZACIVSA-N 0 3 241.290 2.543 40 0 BFABHN CN(C)C[C@H](c1ccccc1)C1(O)CCCC1 ZINC000001671189 383920802 /nfs/dbraw/zinc/92/08/02/383920802.db2.gz JDAFXCRSIQHYSL-CQSZACIVSA-N 0 3 233.355 2.637 40 0 BFABHN CN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 ZINC000001718672 383930062 /nfs/dbraw/zinc/93/00/62/383930062.db2.gz BLDFSDCBQJUWFG-GJZGRUSLSA-N 0 3 227.307 2.681 40 0 BFABHN CCC[C@H](CN(C)C)C(=O)c1ccccc1 ZINC000001733148 383930930 /nfs/dbraw/zinc/93/09/30/383930930.db2.gz DWCOQCYKJHJUSI-CYBMUJFWSA-N 0 3 219.328 2.847 40 0 BFABHN CC[C@@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000008326324 384199785 /nfs/dbraw/zinc/19/97/85/384199785.db2.gz ANBJZCUFUYRUDR-VIFPVBQESA-N 0 3 248.153 2.854 40 0 BFABHN Cc1ccnc([C@H]2CCCN2C2CCCC2)n1 ZINC000072356823 384209990 /nfs/dbraw/zinc/20/99/90/384209990.db2.gz FUAFOOKKABMJNC-CYBMUJFWSA-N 0 3 231.343 2.865 40 0 BFABHN Cc1ccc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 ZINC000096045893 384427693 /nfs/dbraw/zinc/42/76/93/384427693.db2.gz ZODZELNZTXHJGJ-OBJOEFQTSA-N 0 3 235.327 2.587 40 0 BFABHN N[C@@H](c1ncccc1C(F)(F)F)C1CC1 ZINC000238669635 384499932 /nfs/dbraw/zinc/49/99/32/384499932.db2.gz VYALZZLVVHXXNB-MRVPVSSYSA-N 0 3 216.206 2.510 40 0 BFABHN NCc1cccc(Br)c1Cl ZINC000084493796 384873787 /nfs/dbraw/zinc/87/37/87/384873787.db2.gz YHAIHXQAESJVGO-UHFFFAOYSA-N 0 3 220.497 2.561 40 0 BFABHN CCN1CCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213709 385084585 /nfs/dbraw/zinc/08/45/85/385084585.db2.gz DYSWJCJBFNZTGU-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN CCN1CCCC[C@H]1c1cnccc1C ZINC000072211412 385070865 /nfs/dbraw/zinc/07/08/65/385070865.db2.gz OCBQVIINUVILRE-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(OC)nc1 ZINC000072211680 385071029 /nfs/dbraw/zinc/07/10/29/385071029.db2.gz UPDMWTHFYWSOKG-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CCCN1CCC[C@@H]1c1ccc(OC)nc1 ZINC000072211666 385072900 /nfs/dbraw/zinc/07/29/00/385072900.db2.gz DDWBXFINMMRYCA-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CCCN1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212379 385076511 /nfs/dbraw/zinc/07/65/11/385076511.db2.gz ZALWXEXEMMPSQM-LBPRGKRZSA-N 0 3 219.332 2.601 40 0 BFABHN CCCNc1ccc([C@H]2CCCN2C)cn1 ZINC000072213180 385078819 /nfs/dbraw/zinc/07/88/19/385078819.db2.gz ANRZTGYRVNMBNP-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CCN1CCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213770 385083029 /nfs/dbraw/zinc/08/30/29/385083029.db2.gz YGOHVNOIENXGEZ-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN N[C@@H](c1ccccc1)c1ccc(Cl)nc1 ZINC000072225852 385124732 /nfs/dbraw/zinc/12/47/32/385124732.db2.gz XGGPEQYCNLZHEO-LBPRGKRZSA-N 0 3 218.687 2.783 40 0 BFABHN N[C@H](c1ccccc1)c1ccc(NC2CC2)nc1 ZINC000072225707 385126314 /nfs/dbraw/zinc/12/63/14/385126314.db2.gz SVKSCYJSIBETBK-OAHLLOKOSA-N 0 3 239.322 2.704 40 0 BFABHN CCN1CCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215913 385092375 /nfs/dbraw/zinc/09/23/75/385092375.db2.gz IFEKFTISBAILNF-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN CSc1ncccc1[C@@H]1CCCCN1 ZINC000072216953 385097851 /nfs/dbraw/zinc/09/78/51/385097851.db2.gz OGQGLJPJGMZJOV-JTQLQIEISA-N 0 3 208.330 2.618 40 0 BFABHN CNc1cc(C)c([C@@H]2CCCCN2C)cn1 ZINC000072219054 385104790 /nfs/dbraw/zinc/10/47/90/385104790.db2.gz LCDOBOOQBQQVBE-LBPRGKRZSA-N 0 3 219.332 2.589 40 0 BFABHN Cc1cc(C)c(CN)c(OCC(C)C)c1 ZINC000096526191 385278746 /nfs/dbraw/zinc/27/87/46/385278746.db2.gz GEWGEOPSGRGXRD-UHFFFAOYSA-N 0 3 207.317 2.797 40 0 BFABHN CO[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000062711400 385688033 /nfs/dbraw/zinc/68/80/33/385688033.db2.gz VBEUUFVYIZOKCH-VIFPVBQESA-N 0 3 220.099 2.640 40 0 BFABHN CO[C@@H](CN)c1cc(Cl)ccc1Cl ZINC000062711376 385688851 /nfs/dbraw/zinc/68/88/51/385688851.db2.gz VPQNVHKFOVSKLV-VIFPVBQESA-N 0 3 220.099 2.640 40 0 BFABHN c1ccc([C@H]2OCCNCc3ccccc32)cc1 ZINC000032221121 385979527 /nfs/dbraw/zinc/97/95/27/385979527.db2.gz ZMOHJRCONJZNKH-MRXNPFEDSA-N 0 3 239.318 2.896 40 0 BFABHN C[C@@H](N[C@H]1CCC[C@@H]1CO)c1ccccc1F ZINC000096478428 385968025 /nfs/dbraw/zinc/96/80/25/385968025.db2.gz RGZVTHKOFJMHRZ-GYSYKLTISA-N 0 3 237.318 2.637 40 0 BFABHN CN[C@@H](Cc1ccccc1)c1ccco1 ZINC000001667104 388586961 /nfs/dbraw/zinc/58/69/61/388586961.db2.gz OJYCNSIKWPZXHW-LBPRGKRZSA-N 0 3 201.269 2.783 40 0 BFABHN CCO[C@H](CN)c1cccc(C(F)(F)F)c1 ZINC000062711956 388655193 /nfs/dbraw/zinc/65/51/93/388655193.db2.gz VPFWQLQLBCKLRR-SNVBAGLBSA-N 0 3 233.233 2.742 40 0 BFABHN CO[C@H](CN)c1cc(Cl)ccc1Cl ZINC000062711378 388655288 /nfs/dbraw/zinc/65/52/88/388655288.db2.gz VPQNVHKFOVSKLV-SECBINFHSA-N 0 3 220.099 2.640 40 0 BFABHN CN[C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001718671 388830396 /nfs/dbraw/zinc/83/03/96/388830396.db2.gz BLDFSDCBQJUWFG-HUUCEWRRSA-N 0 3 227.307 2.681 40 0 BFABHN CCOc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 ZINC000153097307 397739893 /nfs/dbraw/zinc/73/98/93/397739893.db2.gz AUPIDJVKGWCGIF-IUODEOHRSA-N 0 3 249.354 2.915 40 0 BFABHN CCOc1cccc([C@H](C)NC[C@H]2CCCO2)c1 ZINC000153097399 397740009 /nfs/dbraw/zinc/74/00/09/397740009.db2.gz AUPIDJVKGWCGIF-SWLSCSKDSA-N 0 3 249.354 2.915 40 0 BFABHN CC(C)N[C@@H](O)COc1cccc2ccccc21 ZINC000005381517 167135071 /nfs/dbraw/zinc/13/50/71/167135071.db2.gz XDPXEKYDDUVROO-HNNXBMFYSA-N 0 3 245.322 2.535 40 0 BFABHN CC(C)Oc1ccc(C(=O)CCN(C)C)cc1 ZINC000000340706 167290548 /nfs/dbraw/zinc/29/05/48/167290548.db2.gz CEADICDPFRWLTO-UHFFFAOYSA-N 0 3 235.327 2.608 40 0 BFABHN CCN[C@@H](CC)C(=O)c1ccc(C)cc1 ZINC000071509590 170143948 /nfs/dbraw/zinc/14/39/48/170143948.db2.gz ZTIPDEPKTDPNQE-LBPRGKRZSA-N 0 3 205.301 2.566 40 0 in-vitro BFABHN CC[C@@H]1NCCc2nc(C(C)C)sc21 ZINC000218331688 171150285 /nfs/dbraw/zinc/15/02/85/171150285.db2.gz QTENRKKJCYOFSY-QMMMGPOBSA-N 0 3 210.346 2.863 40 0 BFABHN CN1CCC(Sc2cccc(Cl)n2)CC1 ZINC000002529363 173000617 /nfs/dbraw/zinc/00/06/17/173000617.db2.gz HULQBIVEGFDWTB-UHFFFAOYSA-N 0 3 242.775 2.921 40 0 BFABHN COCCN1CCc2sccc2[C@@H]1C1CC1 ZINC000072350993 174315418 /nfs/dbraw/zinc/31/54/18/174315418.db2.gz JDWAELZTSBCRGH-ZDUSSCGKSA-N 0 3 237.368 2.704 40 0 BFABHN COc1cc2c(cc1O)[C@H](CC(C)C)N(C)CC2 ZINC000001531503 175023644 /nfs/dbraw/zinc/02/36/44/175023644.db2.gz GEHUGSUAESFIIV-ZDUSSCGKSA-N 0 3 249.354 2.976 40 0 in-vitro BFABHN COc1cccc([C@@H](C)NC[C@H]2CCCO2)c1 ZINC000019963618 175286950 /nfs/dbraw/zinc/28/69/50/175286950.db2.gz ZVGASTUZMKBKCJ-BXUZGUMPSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@@H]1CCCN(Cc2cccc(C=O)c2)C1 ZINC000095738627 176102180 /nfs/dbraw/zinc/10/21/80/176102180.db2.gz GPHCWOBTESBVSS-GFCCVEGCSA-N 0 3 217.312 2.731 40 0 BFABHN C[C@H](c1cccc(Cl)c1)N1CCC[C@@H](O)C1 ZINC000100213376 177037010 /nfs/dbraw/zinc/03/70/10/177037010.db2.gz JWCOLZVFSATOJX-ZWNOBZJWSA-N 0 3 239.746 2.858 40 0 BFABHN C[C@H]1CCCN(Cc2ccc(C=O)cc2)C1 ZINC000095738626 177102094 /nfs/dbraw/zinc/10/20/94/177102094.db2.gz SNIOBGRBIBSYSZ-LBPRGKRZSA-N 0 3 217.312 2.731 40 0 BFABHN C[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 ZINC000096062527 177352684 /nfs/dbraw/zinc/35/26/84/177352684.db2.gz QUGNTGNTMVNZJK-WCFLWFBJSA-N 0 3 237.368 2.747 40 0 BFABHN CC[C@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C ZINC000260825812 323128583 /nfs/dbraw/zinc/12/85/83/323128583.db2.gz FJMCVKFCWPJSRX-GWCFXTLKSA-N 0 3 206.333 2.978 40 0 BFABHN Cc1ccc(CNCCOc2ccccn2)s1 ZINC000035287308 524578131 /nfs/dbraw/zinc/57/81/31/524578131.db2.gz KDDYPPKGELFTNI-UHFFFAOYSA-N 0 3 248.351 2.620 40 0 BFABHN Cc1cc(CN2CC[C@@]3(CCCO3)C2)oc1C ZINC000096051025 178001839 /nfs/dbraw/zinc/00/18/39/178001839.db2.gz RVFBVGAJRGMHIA-AWEZNQCLSA-N 0 3 235.327 2.651 40 0 BFABHN Cc1cc(Nc2cc(Cl)ncn2)ccn1 ZINC000038579872 178192419 /nfs/dbraw/zinc/19/24/19/178192419.db2.gz HCRBIROOQFIHNQ-UHFFFAOYSA-N 0 3 220.663 2.577 40 0 BFABHN NCc1c(Br)sc2c1CCCC2 ZINC000064874367 259313076 /nfs/dbraw/zinc/31/30/76/259313076.db2.gz YNTSQLMZSFOJGW-UHFFFAOYSA-N 0 3 246.173 2.848 40 0 BFABHN Cc1cc(C)nc(N(C)CCN2CCCCC2)c1 ZINC000001602375 342705267 /nfs/dbraw/zinc/70/52/67/342705267.db2.gz GAZIOBZAHMUZLE-UHFFFAOYSA-N 0 3 247.386 2.621 40 0 BFABHN CN(CCO)C(c1ccccc1)c1ccccc1 ZINC000001634202 342706477 /nfs/dbraw/zinc/70/64/77/342706477.db2.gz GEKHSCVXJBSBJC-UHFFFAOYSA-N 0 3 241.334 2.700 40 0 BFABHN C[C@@H](CN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000001670338 342707785 /nfs/dbraw/zinc/70/77/85/342707785.db2.gz RWFPJKFBNPDMCR-NSHDSACASA-N 0 3 244.338 2.559 40 0 BFABHN Cc1cc(=S)[nH]cc1[C@@H]1CCCCN1C ZINC000072218334 259318072 /nfs/dbraw/zinc/31/80/72/259318072.db2.gz HTOWNSYZQDREPI-NSHDSACASA-N 0 3 222.357 2.836 40 0 BFABHN COc1ccc2[nH]c(C)c(CN(C)C)c2c1 ZINC000002572402 342724963 /nfs/dbraw/zinc/72/49/63/342724963.db2.gz PKGMHNFUSKQQBS-UHFFFAOYSA-N 0 3 218.300 2.547 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(N)cc1C ZINC000072218516 259318352 /nfs/dbraw/zinc/31/83/52/259318352.db2.gz VGDPRRRFEUOXRE-GFCCVEGCSA-N 0 3 219.332 2.519 40 0 BFABHN CCCN1CCCC[C@H]1c1cnc(N)c(C)c1 ZINC000072218459 259318405 /nfs/dbraw/zinc/31/84/05/259318405.db2.gz KMAUKBWMNNOMBJ-ZDUSSCGKSA-N 0 3 233.359 2.909 40 0 BFABHN CC1=CO[C@](C)([C@H]2NC(C)(C)C[C@H](C)O2)CC1 ZINC000004705822 342750997 /nfs/dbraw/zinc/75/09/97/342750997.db2.gz VRXXEZCAJXPBHD-OBJOEFQTSA-N 0 3 239.359 2.962 40 0 BFABHN Cc1cc(Sc2ccccc2)ncc1CN ZINC000072223176 259320737 /nfs/dbraw/zinc/32/07/37/259320737.db2.gz VAWAGBREGJKDCV-UHFFFAOYSA-N 0 3 230.336 3.000 40 0 BFABHN CN1CCN=C1SCc1cccc(Cl)c1 ZINC000020220189 342977531 /nfs/dbraw/zinc/97/75/31/342977531.db2.gz CZGZWKBDEHCTIE-UHFFFAOYSA-N 0 3 240.759 2.875 40 0 BFABHN CCOc1ccccc1[C@H](C)NC[C@H]1CCCO1 ZINC000019963773 342965168 /nfs/dbraw/zinc/96/51/68/342965168.db2.gz ULLNWEZOXSSGKJ-QWHCGFSZSA-N 0 3 249.354 2.915 40 0 BFABHN CC[C@@H](c1ccccc1)N(C(=O)[C@H](C)N)C(C)C ZINC000079421261 343400625 /nfs/dbraw/zinc/40/06/25/343400625.db2.gz MOIDWJJBYDBHIQ-JSGCOSHPSA-N 0 3 248.370 2.722 40 0 BFABHN CNc1nccnc1[C@@H]1CCCN1C1CCCC1 ZINC000072356828 187276529 /nfs/dbraw/zinc/27/65/29/187276529.db2.gz FBDGPSCCAKMSML-LBPRGKRZSA-N 0 3 246.358 2.598 40 0 BFABHN CC(=O)[C@@H](C)CCCCCC1C=CC(=O)O1 ZINC000014490844 362889651 /nfs/dbraw/zinc/88/96/51/362889651.db2.gz MSOHKYKACHEERC-JQWIXIFHSA-N 0 3 224.300 2.644 40 0 biogenic,in-vitro BFABHN C[C@@H](NCc1ccsc1)[C@H](O)c1ccccc1 ZINC000022076635 350070411 /nfs/dbraw/zinc/07/04/11/350070411.db2.gz ATELECFPJVUZCB-RISCZKNCSA-N 0 3 247.363 2.960 40 0 BFABHN Clc1cccc(-c2noc([C@@H]3CCCN3)n2)c1 ZINC000000325032 363050180 /nfs/dbraw/zinc/05/01/80/363050180.db2.gz NPMYWCOYBYGCSM-JTQLQIEISA-N 0 3 249.701 2.815 40 0 BFABHN CCC[C@H](NCC)C(=O)c1ccccc1 ZINC000003631207 352322022 /nfs/dbraw/zinc/32/20/22/352322022.db2.gz QQAHEGDXEXIQPR-LBPRGKRZSA-N 0 3 205.301 2.648 40 0 in-vitro BFABHN NCc1ccccc1NCc1ccccc1 ZINC000011757299 188006497 /nfs/dbraw/zinc/00/64/97/188006497.db2.gz AZRBAHRGYUSOJN-UHFFFAOYSA-N 0 3 212.296 2.757 40 0 BFABHN CC(=O)CCN(C)[C@H](C)Cc1ccccc1 ZINC000001667116 188274257 /nfs/dbraw/zinc/27/42/57/188274257.db2.gz BLNTYGUDWBLSNZ-GFCCVEGCSA-N 0 3 219.328 2.529 40 0 BFABHN c1cc([C@H]2CCCN2C2CCCCC2)n[nH]1 ZINC000072348435 188306543 /nfs/dbraw/zinc/30/65/43/188306543.db2.gz ULNDKEKWOUVJLM-CYBMUJFWSA-N 0 3 219.332 2.879 40 0 BFABHN CCCC[C@H](NC)C(=O)c1ccc(C)cc1 ZINC000096032830 371388733 /nfs/dbraw/zinc/38/87/33/371388733.db2.gz BDTHWVVHQBNAGU-ZDUSSCGKSA-N 0 3 219.328 2.956 40 0 in-vitro BFABHN CC(C)(C)c1ncc(CN)c(-c2cccs2)n1 ZINC000038581033 372708957 /nfs/dbraw/zinc/70/89/57/372708957.db2.gz BHRYWERCBSYVFM-UHFFFAOYSA-N 0 3 247.367 2.961 40 0 BFABHN OC1(/C=C/CN2CCCCC2)CCCCC1 ZINC000000123377 183016100 /nfs/dbraw/zinc/01/61/00/183016100.db2.gz NMNASQKULQZZEQ-JXMROGBWSA-N 0 3 223.360 2.724 40 0 BFABHN c1cc([C@@H]2CCCCN2)n(C2CCCC2)n1 ZINC000096509763 183360298 /nfs/dbraw/zinc/36/02/98/183360298.db2.gz FUWWIIUTJVBQFA-LBPRGKRZSA-N 0 3 219.332 2.813 40 0 BFABHN CCCNCc1cc(C2CC2)nn1C(C)C ZINC000256053005 169265318 /nfs/dbraw/zinc/26/53/18/169265318.db2.gz PPZDQIMHACIOCU-UHFFFAOYSA-N 0 3 221.348 2.841 40 0 BFABHN CCCOc1cccc([C@@H](C)NCCOC)c1 ZINC000225166058 169325792 /nfs/dbraw/zinc/32/57/92/169325792.db2.gz OTGHLFFXEAHSBJ-GFCCVEGCSA-N 0 3 237.343 2.772 40 0 BFABHN FC(F)(F)COc1cccc(CNC2CC2)c1 ZINC000034816762 383862250 /nfs/dbraw/zinc/86/22/50/383862250.db2.gz AGCRQQQGMZVHGC-UHFFFAOYSA-N 0 3 245.244 2.880 40 0 BFABHN CC(=O)[C@@]1(c2ccccc2)CCCN(C)CC1 ZINC000001618262 383912370 /nfs/dbraw/zinc/91/23/70/383912370.db2.gz VSAAQIAFGFUKFJ-OAHLLOKOSA-N 0 3 231.339 2.629 40 0 BFABHN CN(C)C[C@]1(C)Cc2cc(Cl)sc2C1=O ZINC000001615689 383912918 /nfs/dbraw/zinc/91/29/18/383912918.db2.gz IIILQVNRZWMLHM-NSHDSACASA-N 0 3 243.759 2.708 40 0 BFABHN NC[C@H](c1ccccc1Cl)N1CCCCC1 ZINC000038827589 384094561 /nfs/dbraw/zinc/09/45/61/384094561.db2.gz JXPVNRYDOXUXGA-CYBMUJFWSA-N 0 3 238.762 2.826 40 0 BFABHN CNc1cc([C@H]2CCN2C2CCCC2)nc(C)n1 ZINC000072387444 384220210 /nfs/dbraw/zinc/22/02/10/384220210.db2.gz VKENRTIGPVBAEE-CYBMUJFWSA-N 0 3 246.358 2.516 40 0 BFABHN CO[C@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000062711403 384847904 /nfs/dbraw/zinc/84/79/04/384847904.db2.gz VBEUUFVYIZOKCH-SECBINFHSA-N 0 3 220.099 2.640 40 0 BFABHN CCN1CCCC[C@@H]1c1cnccc1C ZINC000072211411 385072185 /nfs/dbraw/zinc/07/21/85/385072185.db2.gz OCBQVIINUVILRE-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@H]1c1cccnc1C ZINC000072211305 385072429 /nfs/dbraw/zinc/07/24/29/385072429.db2.gz TZBRNZPVMYGCCA-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN CCCCN1CCCC[C@@H]1c1cccnc1N ZINC000072212440 385075890 /nfs/dbraw/zinc/07/58/90/385075890.db2.gz IMAPYTMCWLJGRT-CYBMUJFWSA-N 0 3 233.359 2.991 40 0 BFABHN CCOc1ncccc1[C@@H]1CCCN1CC ZINC000072211831 385076225 /nfs/dbraw/zinc/07/62/25/385076225.db2.gz LDGWWEVEMRHSMH-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CCN(CC)c1ncccc1[C@H]1CCCN1C ZINC000072212882 385078983 /nfs/dbraw/zinc/07/89/83/385078983.db2.gz BFDULVKOBXHYMT-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CCCNc1ncccc1[C@H]1CCCCN1 ZINC000072213147 385079892 /nfs/dbraw/zinc/07/98/92/385079892.db2.gz SEIUJSPQTYSDNJ-GFCCVEGCSA-N 0 3 219.332 2.718 40 0 BFABHN CCN(CC)c1ncccc1[C@@H]1CCCN1C ZINC000072212881 385080848 /nfs/dbraw/zinc/08/08/48/385080848.db2.gz BFDULVKOBXHYMT-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCCNc1ncccc1[C@@H]1CCCN1C ZINC000072213119 385081035 /nfs/dbraw/zinc/08/10/35/385081035.db2.gz VTZQYRLHYFUEKC-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(OC)cc1C ZINC000072218033 385088028 /nfs/dbraw/zinc/08/80/28/385088028.db2.gz BMBUMDDQFHTIAW-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217738 385089043 /nfs/dbraw/zinc/08/90/43/385089043.db2.gz AVWYFRYJJOYUGJ-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CCN1CCC[C@H]1c1ccc(N2CCCC2)nc1 ZINC000072215914 385092330 /nfs/dbraw/zinc/09/23/30/385092330.db2.gz IFEKFTISBAILNF-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN CSc1ncccc1[C@@H]1CCCCN1C ZINC000072216956 385097229 /nfs/dbraw/zinc/09/72/29/385097229.db2.gz CJJCAIOEGGXLSO-NSHDSACASA-N 0 3 222.357 2.960 40 0 BFABHN CCN1CCC[C@H]1c1cnc(NC)cc1C ZINC000072219032 385103373 /nfs/dbraw/zinc/10/33/73/385103373.db2.gz LVICLNFOHBLGRX-LBPRGKRZSA-N 0 3 219.332 2.589 40 0 BFABHN Cc1cc(N2CCCC2)ncc1[C@H]1CCCN1C ZINC000072218846 385103719 /nfs/dbraw/zinc/10/37/19/385103719.db2.gz FSDDOLKUFFICJH-CQSZACIVSA-N 0 3 245.370 2.757 40 0 BFABHN CCN1CCCC[C@@H]1c1ccnc(C)c1 ZINC000072219473 385105515 /nfs/dbraw/zinc/10/55/15/385105515.db2.gz GJXQJUNIERFIQC-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CCCCCNCc1cnc(SCC)nc1 ZINC000062717299 385711587 /nfs/dbraw/zinc/71/15/87/385711587.db2.gz ZYHOKWYCBALGFQ-UHFFFAOYSA-N 0 3 239.388 2.868 40 0 BFABHN CC(C)[C@@H](N)C(=O)Nc1ccc2ccccc2c1 ZINC000005274100 385671115 /nfs/dbraw/zinc/67/11/15/385671115.db2.gz OBGGZBHESVNMSA-CQSZACIVSA-N 0 3 242.322 2.762 40 0 BFABHN c1ccc([C@@H]2OCCNCc3ccccc32)cc1 ZINC000032221120 385978400 /nfs/dbraw/zinc/97/84/00/385978400.db2.gz ZMOHJRCONJZNKH-INIZCTEOSA-N 0 3 239.318 2.896 40 0 BFABHN Cc1ccc(CNCc2ccccc2)[nH]1 ZINC000226018827 386233184 /nfs/dbraw/zinc/23/31/84/386233184.db2.gz QZESHSJVUIIYJO-UHFFFAOYSA-N 0 3 200.285 2.613 40 0 BFABHN CC(C)[C@H](N)c1nc2cnccc2n1C(C)C ZINC000088865766 386987879 /nfs/dbraw/zinc/98/78/79/386987879.db2.gz ZYDCDYOBXDDARL-LBPRGKRZSA-N 0 3 232.331 2.668 40 0 BFABHN CCCCN(C)Cc1cccc(C=O)c1 ZINC000095739696 387004118 /nfs/dbraw/zinc/00/41/18/387004118.db2.gz SFLGOSQBRKYHNZ-UHFFFAOYSA-N 0 3 205.301 2.731 40 0 BFABHN CC(C)N(CCN1CCCCC1)c1ccccn1 ZINC000001602370 322810366 /nfs/dbraw/zinc/81/03/66/322810366.db2.gz JPUKBYDVOBJORO-UHFFFAOYSA-N 0 3 247.386 2.782 40 0 BFABHN CC(C)CCNCc1ccn(CC(C)C)n1 ZINC000256050969 387858014 /nfs/dbraw/zinc/85/80/14/387858014.db2.gz HFKCXSKZPIDJOV-UHFFFAOYSA-N 0 3 223.364 2.675 40 0 BFABHN CC(C)CCNCc1cc(C(F)(F)F)n(C)n1 ZINC000256054885 387862153 /nfs/dbraw/zinc/86/21/53/387862153.db2.gz YEPOWKWVFUCQIL-UHFFFAOYSA-N 0 3 249.280 2.575 40 0 BFABHN C[C@@H]1CCCN([C@H](CN)c2ccccc2F)C1 ZINC000242688403 388400774 /nfs/dbraw/zinc/40/07/74/388400774.db2.gz VPHYZNNRJQDDPC-BXUZGUMPSA-N 0 3 236.334 2.557 40 0 BFABHN C[C@@H](N)c1c(Cl)ncc2c1CCCC2 ZINC000225811061 388846656 /nfs/dbraw/zinc/84/66/56/388846656.db2.gz AHHSILFATLQPKA-SSDOTTSWSA-N 0 3 210.708 2.634 40 0 BFABHN c1cncc([C@H]2C[C@@H](c3cccnc3)CCN2)c1 ZINC000008437107 398088380 /nfs/dbraw/zinc/08/83/80/398088380.db2.gz COWQBMIVVHLMNO-SWLSCSKDSA-N 0 3 239.322 2.685 40 0 in-vitro BFABHN CC1(c2cc[nH]n2)CCN(Cc2ccoc2)CC1 ZINC000257252610 168073126 /nfs/dbraw/zinc/07/31/26/168073126.db2.gz JVKMFDDZJHKIJH-UHFFFAOYSA-N 0 3 245.326 2.556 40 0 BFABHN CC1=C[C@@H](C)[C@@H](C2N3CCN2CCC3)[C@H](C)C1 ZINC000102677592 168124686 /nfs/dbraw/zinc/12/46/86/168124686.db2.gz HFPVWFVWBIWBRP-MGPQQGTHSA-N 0 3 234.387 2.572 40 0 BFABHN CC1CCN(CCC(=O)c2ccccc2)CC1 ZINC000001685729 168178550 /nfs/dbraw/zinc/17/85/50/168178550.db2.gz LVTXFVGIXHOMSX-UHFFFAOYSA-N 0 3 231.339 2.991 40 0 BFABHN CCNCc1cc(Cl)ccc1OCC ZINC000008227208 170125389 /nfs/dbraw/zinc/12/53/89/170125389.db2.gz ABQMUJDMXXZURO-UHFFFAOYSA-N 0 3 213.708 2.848 40 0 BFABHN CCNCc1cccc(C)c1OC(C)C ZINC000095094850 170128278 /nfs/dbraw/zinc/12/82/78/170128278.db2.gz WSXDZXSCZYCNTN-UHFFFAOYSA-N 0 3 207.317 2.892 40 0 BFABHN CCN[C@H](C)C(=O)c1cccc(Cl)c1 ZINC000169332712 170156738 /nfs/dbraw/zinc/15/67/38/170156738.db2.gz ZMJIUWPWADQNLC-MRVPVSSYSA-N 0 3 211.692 2.521 40 0 in-vitro BFABHN CCc1cccc2cc(CN)c(Cl)nc21 ZINC000089261994 171869132 /nfs/dbraw/zinc/86/91/32/171869132.db2.gz BRRJJKBHZPNUOM-UHFFFAOYSA-N 0 3 220.703 2.909 40 0 BFABHN CNCc1ccc(-c2cccc(F)c2)o1 ZINC000036818911 173387735 /nfs/dbraw/zinc/38/77/35/173387735.db2.gz SEILQWQZNOXVSP-UHFFFAOYSA-N 0 3 205.232 2.805 40 0 BFABHN C[C@H]1CCCN(Cc2ccccc2C=O)C1 ZINC000095738630 177101356 /nfs/dbraw/zinc/10/13/56/177101356.db2.gz SISUHXOCDSOAEI-LBPRGKRZSA-N 0 3 217.312 2.731 40 0 BFABHN CCN1[C@H](C)Cc2[nH]ccc2[C@H]1C(C)C ZINC000260825954 323128698 /nfs/dbraw/zinc/12/86/98/323128698.db2.gz WRQVWPDZJOZRFL-ZWNOBZJWSA-N 0 3 206.333 2.978 40 0 BFABHN Cc1cc(Cl)ccc1-n1cccc1CN ZINC000223685899 178065555 /nfs/dbraw/zinc/06/55/55/178065555.db2.gz BSXRJJGRZBVKJO-UHFFFAOYSA-N 0 3 220.703 2.898 40 0 BFABHN Cc1cc(=O)cc([C@@H]2CCCN2C(C)C)[nH]1 ZINC000072348462 178199587 /nfs/dbraw/zinc/19/95/87/178199587.db2.gz ZUPSZNYRCMPOFG-ZDUSSCGKSA-N 0 3 220.316 2.641 40 0 BFABHN Cc1ccc(-n2cccc2CN)cc1C ZINC000223681821 178347051 /nfs/dbraw/zinc/34/70/51/178347051.db2.gz WZLSDNOQCHTTLY-UHFFFAOYSA-N 0 3 200.285 2.553 40 0 BFABHN C[C@@](CN)(c1ccccc1Cl)N1CCCC1 ZINC000070453418 259313850 /nfs/dbraw/zinc/31/38/50/259313850.db2.gz DZWWJEXSDSIEBT-CYBMUJFWSA-N 0 3 238.762 2.610 40 0 BFABHN Cc1ccc(C(=O)CNC2CCCC2)cc1 ZINC000000812221 178373713 /nfs/dbraw/zinc/37/37/13/178373713.db2.gz HGZYTBIVKJICSF-UHFFFAOYSA-N 0 3 217.312 2.710 40 0 BFABHN CCOC(=O)C[C@@H](NC1CC1)c1ccc(C)cc1 ZINC000072210289 259316675 /nfs/dbraw/zinc/31/66/75/259316675.db2.gz RCDSIHPBKREHKB-CQSZACIVSA-N 0 3 247.338 2.741 40 0 BFABHN CCOC(=O)C[C@@H](NC)c1ccccc1Cl ZINC000072210273 259316402 /nfs/dbraw/zinc/31/64/02/259316402.db2.gz UQWVEKCCDHWNFL-LLVKDONJSA-N 0 3 241.718 2.554 40 0 BFABHN CCN1CCCC[C@H]1c1cccc(C)n1 ZINC000072211094 259317398 /nfs/dbraw/zinc/31/73/98/259317398.db2.gz SIEIWTTUOGNWLC-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN CN1CCC[C@@H]1c1ccc(NC2CCC2)nc1 ZINC000072213823 259317919 /nfs/dbraw/zinc/31/79/19/259317919.db2.gz XXEPXCHQTSGIIJ-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN CN1CCC[C@H]1c1ccc(NC2CCC2)nc1 ZINC000072213824 259317993 /nfs/dbraw/zinc/31/79/93/259317993.db2.gz XXEPXCHQTSGIIJ-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN CCCN1CCCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218458 259318000 /nfs/dbraw/zinc/31/80/00/259318000.db2.gz KMAUKBWMNNOMBJ-CYBMUJFWSA-N 0 3 233.359 2.909 40 0 BFABHN N[C@@H](COC(=O)c1ccccc1)c1ccccc1 ZINC000005604340 342767039 /nfs/dbraw/zinc/76/70/39/342767039.db2.gz JBNGFPIHGVZGFZ-AWEZNQCLSA-N 0 3 241.290 2.543 40 0 BFABHN Cc1[nH]c(=S)ccc1[C@H](N)c1ccccc1 ZINC000072224835 259321908 /nfs/dbraw/zinc/32/19/08/259321908.db2.gz SXVWSGHKILFFFK-CYBMUJFWSA-N 0 3 230.336 2.727 40 0 BFABHN CC1(C)C[C@H](N)c2cc(Cl)ccc2O1 ZINC000011848961 342843741 /nfs/dbraw/zinc/84/37/41/342843741.db2.gz YCHLOTPQPGERAD-VIFPVBQESA-N 0 3 211.692 2.901 40 0 BFABHN CN(C)[C@@H](CN)c1cccc(Cl)c1Cl ZINC000019472883 347019497 /nfs/dbraw/zinc/01/94/97/347019497.db2.gz OIRCTAUSZLSIFJ-VIFPVBQESA-N 0 3 233.142 2.555 40 0 BFABHN CC(=O)[C@H](C)CCCCCC1C=CC(=O)O1 ZINC000014490846 344841587 /nfs/dbraw/zinc/84/15/87/344841587.db2.gz MSOHKYKACHEERC-PWSUYJOCSA-N 0 3 224.300 2.644 40 0 biogenic,in-vitro BFABHN CCN(CC)CCC(=O)c1ccc(C)cc1 ZINC000001635906 346460622 /nfs/dbraw/zinc/46/06/22/346460622.db2.gz MHBQAFWTZGWVEI-UHFFFAOYSA-N 0 3 219.328 2.910 40 0 BFABHN c1cc2cc(CNCc3ccncc3)ccc2[nH]1 ZINC000015424219 347113108 /nfs/dbraw/zinc/11/31/08/347113108.db2.gz GGZDJYPDDCVRAB-UHFFFAOYSA-N 0 3 237.306 2.853 40 0 BFABHN CC[C@](C)(O)CCCCCC1C=CC(=O)O1 ZINC000014490830 362887997 /nfs/dbraw/zinc/88/79/97/362887997.db2.gz SYVFGLXUEAXFAP-AAEUAGOBSA-N 0 3 226.316 2.580 40 0 biogenic,in-vitro BFABHN CCOc1ccccc1[C@H](CN)N1CCCCC1 ZINC000038827641 350324149 /nfs/dbraw/zinc/32/41/49/350324149.db2.gz LOXXZSDJVWKOOL-AWEZNQCLSA-N 0 3 248.370 2.571 40 0 BFABHN Cc1cnc([C@H](C)N2CCCC3(CC3)C2)cn1 ZINC000335893389 355687660 /nfs/dbraw/zinc/68/76/60/355687660.db2.gz LLCPBWYUGQUZSF-LBPRGKRZSA-N 0 3 231.343 2.722 40 0 BFABHN CSc1ncccc1[C@H]1CCCCN1C ZINC000072216955 259528295 /nfs/dbraw/zinc/52/82/95/259528295.db2.gz CJJCAIOEGGXLSO-LLVKDONJSA-N 0 3 222.357 2.960 40 0 BFABHN Cc1c[nH]c([C@@H]2CCCN2C2CCCC2)n1 ZINC000205687290 368358158 /nfs/dbraw/zinc/35/81/58/368358158.db2.gz FRBSPAANGMERPJ-LBPRGKRZSA-N 0 3 219.332 2.798 40 0 BFABHN CCCC(=O)CCN(C)Cc1ccccc1 ZINC000001705695 368684870 /nfs/dbraw/zinc/68/48/70/368684870.db2.gz GMINVHYGAYPZBN-UHFFFAOYSA-N 0 3 219.328 2.878 40 0 BFABHN OC[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000041282810 183145823 /nfs/dbraw/zinc/14/58/23/183145823.db2.gz HOOGQYXOVYJIDQ-CYBMUJFWSA-N 0 3 239.746 2.859 40 0 BFABHN CCCNCc1nc2ccccc2s1 ZINC000020136279 169268753 /nfs/dbraw/zinc/26/87/53/169268753.db2.gz FFOZUODFMDAVBQ-UHFFFAOYSA-N 0 3 206.314 2.796 40 0 BFABHN CCCn1c(C)nc2cc(C)cc(N)c21 ZINC000001582202 169611862 /nfs/dbraw/zinc/61/18/62/169611862.db2.gz WITWSHJUZWLHNE-UHFFFAOYSA-N 0 3 203.289 2.645 40 0 BFABHN Fc1ccc(CNCCc2ccco2)s1 ZINC000067802976 383952008 /nfs/dbraw/zinc/95/20/08/383952008.db2.gz OWNWJEZAKAEYME-UHFFFAOYSA-N 0 3 225.288 2.813 40 0 BFABHN CCc1ccc2nc(Cl)c(CN)cc2c1 ZINC000089261997 383955413 /nfs/dbraw/zinc/95/54/13/383955413.db2.gz TUHAJKMHMZANOO-UHFFFAOYSA-N 0 3 220.703 2.909 40 0 BFABHN Cc1ccc2oc(C3=CCN(C)CC3)nc2c1 ZINC000073635984 384025726 /nfs/dbraw/zinc/02/57/26/384025726.db2.gz WFLRJADCCZSOGS-UHFFFAOYSA-N 0 3 228.295 2.855 40 0 BFABHN Cc1ccc2nc(C3=CCN(C)CC3)oc2c1 ZINC000073636316 384028321 /nfs/dbraw/zinc/02/83/21/384028321.db2.gz NMKJEGSCMJUDNW-UHFFFAOYSA-N 0 3 228.295 2.855 40 0 BFABHN CCc1ccc([C@H](N)c2cccnc2)cc1 ZINC000011737292 384294195 /nfs/dbraw/zinc/29/41/95/384294195.db2.gz JYYMVHGJPWYOHW-AWEZNQCLSA-N 0 3 212.296 2.692 40 0 BFABHN C[C@H](N)c1ccc(C(F)(F)F)nc1Cl ZINC000095706228 384390763 /nfs/dbraw/zinc/39/07/63/384390763.db2.gz VBOBDQRDNMGLBX-BYPYZUCNSA-N 0 3 224.613 2.774 40 0 BFABHN CCOc1ccc(C)cc1CNC(C)C ZINC000070954974 384484109 /nfs/dbraw/zinc/48/41/09/384484109.db2.gz RJHWMFCRMMSBDB-UHFFFAOYSA-N 0 3 207.317 2.892 40 0 BFABHN c1[nH]nc2c1[C@H]1CC[C@@H](C2)N1Cc1ccccc1 ZINC000019371566 384519596 /nfs/dbraw/zinc/51/95/96/384519596.db2.gz IOCBRZYCDNTMQH-SWLSCSKDSA-N 0 3 239.322 2.672 40 0 BFABHN Cc1c(-c2cccc(Cl)c2)nc(N)n1C ZINC000199560210 384523454 /nfs/dbraw/zinc/52/34/54/384523454.db2.gz NHKBHBPJKAFRPI-UHFFFAOYSA-N 0 3 221.691 2.631 40 0 BFABHN CC[C@@H](C)n1c(CNC)nc2ccccc21 ZINC000040163802 384546266 /nfs/dbraw/zinc/54/62/66/384546266.db2.gz XSWVWXBNSXOLBM-SNVBAGLBSA-N 0 3 217.316 2.727 40 0 BFABHN CCN1CCCC[C@@H]1c1cccnc1OC ZINC000072211735 385073250 /nfs/dbraw/zinc/07/32/50/385073250.db2.gz IZDCECQTOSFWDI-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CN1CCCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213792 385082067 /nfs/dbraw/zinc/08/20/67/385082067.db2.gz UHESTQSWMMCWLI-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN CN1CCCC[C@H]1c1ccc(NC2CC2)nc1 ZINC000072213793 385082788 /nfs/dbraw/zinc/08/27/88/385082788.db2.gz UHESTQSWMMCWLI-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN CCN1CCC[C@@H]1c1ccc(NC2CC2)nc1 ZINC000072213769 385083470 /nfs/dbraw/zinc/08/34/70/385083470.db2.gz YGOHVNOIENXGEZ-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN C=Cc1cnc(N2CCN(C(C)C)CC2)cc1C ZINC000072223717 385115092 /nfs/dbraw/zinc/11/50/92/385115092.db2.gz HCCPYGXCTFXDPK-UHFFFAOYSA-N 0 3 245.370 2.563 40 0 BFABHN CNCc1ccc(OCc2ccccc2)nc1C ZINC000072224477 385118104 /nfs/dbraw/zinc/11/81/04/385118104.db2.gz NCMJPFWZTPTMDL-UHFFFAOYSA-N 0 3 242.322 2.688 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217737 385089995 /nfs/dbraw/zinc/08/99/95/385089995.db2.gz AVWYFRYJJOYUGJ-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN CCSc1ncccc1[C@H]1CCCN1C ZINC000072217167 385098113 /nfs/dbraw/zinc/09/81/13/385098113.db2.gz VDBAEEACDVEACM-LLVKDONJSA-N 0 3 222.357 2.960 40 0 BFABHN CCN1CCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218972 385103841 /nfs/dbraw/zinc/10/38/41/385103841.db2.gz RFUAFGRAVIOBIP-LBPRGKRZSA-N 0 3 219.332 2.589 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(NC)nc1C ZINC000072219117 385104708 /nfs/dbraw/zinc/10/47/08/385104708.db2.gz AGHWNGQYRIOJLZ-ZDUSSCGKSA-N 0 3 233.359 2.979 40 0 BFABHN CN(Cc1ccc2c(n1)CCC2)C(C)(C)C ZINC000335450410 385647953 /nfs/dbraw/zinc/64/79/53/385647953.db2.gz XMFBBAPVXOBCGI-UHFFFAOYSA-N 0 3 218.344 2.801 40 0 BFABHN CCCCCNCc1cnc(NC(C)C)nc1 ZINC000062717616 385724862 /nfs/dbraw/zinc/72/48/62/385724862.db2.gz WVRSCYYYSLNPEC-UHFFFAOYSA-N 0 3 236.363 2.577 40 0 BFABHN CCN(CC)Cc1ccc(C(=O)OC(C)C)o1 ZINC000037625072 386088270 /nfs/dbraw/zinc/08/82/70/386088270.db2.gz XCCUYPLIESHDOC-UHFFFAOYSA-N 0 3 239.315 2.687 40 0 BFABHN CC(C)[C@H](N)c1nc2cccnc2n1C(C)C ZINC000015774325 386461364 /nfs/dbraw/zinc/46/13/64/386461364.db2.gz DSXKPVFGUYCJMV-NSHDSACASA-N 0 3 232.331 2.668 40 0 BFABHN CCCCCNCc1cc(C(F)(F)F)n(C)n1 ZINC000256051302 387858828 /nfs/dbraw/zinc/85/88/28/387858828.db2.gz IPGOYESWIGANDL-UHFFFAOYSA-N 0 3 249.280 2.719 40 0 BFABHN CCCCNCc1ccnn1[C@H](C)CC ZINC000256052894 387860433 /nfs/dbraw/zinc/86/04/33/387860433.db2.gz PCCULJRXSMPQPT-LLVKDONJSA-N 0 3 209.337 2.744 40 0 BFABHN c1ccc(CN2CCNc3cnccc32)cc1 ZINC000306615686 388655755 /nfs/dbraw/zinc/65/57/55/388655755.db2.gz NYNDSZSXQMHROO-UHFFFAOYSA-N 0 3 225.295 2.514 40 0 BFABHN C[C@H](N)c1c(Cl)ncc2c1CCCC2 ZINC000225811083 388845792 /nfs/dbraw/zinc/84/57/92/388845792.db2.gz AHHSILFATLQPKA-ZETCQYMHSA-N 0 3 210.708 2.634 40 0 BFABHN CCCCCCNCc1cnc(NCC)nc1 ZINC000062717535 398055973 /nfs/dbraw/zinc/05/59/73/398055973.db2.gz NUXGAKQLAFRIKP-UHFFFAOYSA-N 0 3 236.363 2.578 40 0 BFABHN CC(C)O[C@H](CN)c1cccc(Cl)c1 ZINC000043017983 167282150 /nfs/dbraw/zinc/28/21/50/167282150.db2.gz YKHPLFHOQQECRS-LLVKDONJSA-N 0 3 213.708 2.765 40 0 BFABHN Brc1ccc([C@H]2CCCCN2)cn1 ZINC000072211566 166099123 /nfs/dbraw/zinc/09/91/23/166099123.db2.gz WWPMVVPLXWYGMN-SECBINFHSA-N 0 3 241.132 2.659 40 0 BFABHN CCN(CC)CCC(=O)c1ccc(OC)cc1 ZINC000001696568 169769873 /nfs/dbraw/zinc/76/98/73/169769873.db2.gz DSUDQWRYBRHEPO-UHFFFAOYSA-N 0 3 235.327 2.610 40 0 BFABHN CC(C)N[C@H](C)C(=O)c1ccc(Cl)cc1 ZINC000041609184 167138466 /nfs/dbraw/zinc/13/84/66/167138466.db2.gz AZTFYJYLDIQSAG-SECBINFHSA-N 0 3 225.719 2.909 40 0 in-vitro BFABHN CCCCNCc1nc2cc(C)ccc2[nH]1 ZINC000022122047 411310131 /nfs/dbraw/zinc/31/01/31/411310131.db2.gz BVSBQZKLLOJOPB-UHFFFAOYSA-N 0 3 217.316 2.761 40 0 BFABHN CCCCNCc1nc2ccc(C)cc2[nH]1 ZINC000022122047 411310136 /nfs/dbraw/zinc/31/01/36/411310136.db2.gz BVSBQZKLLOJOPB-UHFFFAOYSA-N 0 3 217.316 2.761 40 0 BFABHN CC1CCN([C@@H](CN)c2cccc(F)c2)CC1 ZINC000019255908 168186182 /nfs/dbraw/zinc/18/61/82/168186182.db2.gz SKWHWOWBDCPJGZ-AWEZNQCLSA-N 0 3 236.334 2.557 40 0 BFABHN CCNCc1ccccc1OCC(C)C ZINC000034658496 170129568 /nfs/dbraw/zinc/12/95/68/170129568.db2.gz VBBOYPHXNCWCSH-UHFFFAOYSA-N 0 3 207.317 2.831 40 0 BFABHN CCN[C@H](CC)c1cc(OC)ccc1OC ZINC000035541416 170161476 /nfs/dbraw/zinc/16/14/76/170161476.db2.gz YRQVQMORSRDOIT-GFCCVEGCSA-N 0 3 223.316 2.764 40 0 BFABHN CCOc1ccc([C@@H](CO)N2CCCCC2)cc1 ZINC000041303721 170558766 /nfs/dbraw/zinc/55/87/66/170558766.db2.gz GHOCMNIBXIVJIX-OAHLLOKOSA-N 0 3 249.354 2.605 40 0 BFABHN CCc1ccc([C@@H](N)c2cccnc2)cc1 ZINC000011737291 171834646 /nfs/dbraw/zinc/83/46/46/171834646.db2.gz JYYMVHGJPWYOHW-CQSZACIVSA-N 0 3 212.296 2.692 40 0 BFABHN CN1CCCC[C@@H]1[C@H](O)c1ccc(Cl)cc1 ZINC000004428571 173006809 /nfs/dbraw/zinc/00/68/09/173006809.db2.gz MTLXGAVDIYSMKB-CHWSQXEVSA-N 0 3 239.746 2.858 40 0 BFABHN CN1[C@H]2C=C(c3cccc(Cl)n3)C[C@@H]1CC2 ZINC000002529340 173206272 /nfs/dbraw/zinc/20/62/72/173206272.db2.gz ZTPVMGZWOVVRRQ-MNOVXSKESA-N 0 3 234.730 2.985 40 0 BFABHN COCCN[C@H](C)c1ccc(OC(C)C)cc1 ZINC000019881637 174340501 /nfs/dbraw/zinc/34/05/01/174340501.db2.gz JPEYNBQVZUPJBL-GFCCVEGCSA-N 0 3 237.343 2.771 40 0 BFABHN COc1cc2ccc3c(c2cc1OC)C=NCC3 ZINC000001560118 175027759 /nfs/dbraw/zinc/02/77/59/175027759.db2.gz YCSFHZULIQOJOK-UHFFFAOYSA-N 0 3 241.290 2.832 40 0 BFABHN COc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 ZINC000019963616 175287117 /nfs/dbraw/zinc/28/71/17/175287117.db2.gz ZVGASTUZMKBKCJ-RISCZKNCSA-N 0 3 235.327 2.525 40 0 BFABHN COc1cccc([C@@H](N)c2cccs2)c1 ZINC000019842117 175288550 /nfs/dbraw/zinc/28/85/50/175288550.db2.gz PLBFYRQJEVRKKZ-GFCCVEGCSA-N 0 3 219.309 2.805 40 0 BFABHN COc1cccc([C@H](N)c2cccs2)c1 ZINC000019842119 175294805 /nfs/dbraw/zinc/29/48/05/175294805.db2.gz PLBFYRQJEVRKKZ-LBPRGKRZSA-N 0 3 219.309 2.805 40 0 BFABHN COc1ccccc1[C@@H](C)NC[C@H]1CCCO1 ZINC000019963510 175344575 /nfs/dbraw/zinc/34/45/75/175344575.db2.gz JOWYGUNQOPNQSW-VXGBXAGGSA-N 0 3 235.327 2.525 40 0 BFABHN CCOC(=O)C[C@@H](NC)c1cccc(Cl)c1 ZINC000072210271 259316651 /nfs/dbraw/zinc/31/66/51/259316651.db2.gz WPUTVECZPUTFEM-LLVKDONJSA-N 0 3 241.718 2.554 40 0 BFABHN O=C1c2ccccc2[N+]([O-])=C1c1ccccc1 ZINC000001723988 342711409 /nfs/dbraw/zinc/71/14/09/342711409.db2.gz WXFLHMJSSLDOPA-UHFFFAOYSA-N 0 3 223.231 2.514 40 0 BFABHN c1cnc(NC2CCC2)c([C@H]2CCCCN2)c1 ZINC000072213911 259318427 /nfs/dbraw/zinc/31/84/27/259318427.db2.gz ZLHYWIVOOHYQRX-CYBMUJFWSA-N 0 3 231.343 2.861 40 0 BFABHN CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@@H](C)O2)CC1 ZINC000004705823 342750907 /nfs/dbraw/zinc/75/09/07/342750907.db2.gz VRXXEZCAJXPBHD-BZPMIXESSA-N 0 3 239.359 2.962 40 0 BFABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N(C)C ZINC000072222075 259320275 /nfs/dbraw/zinc/32/02/75/259320275.db2.gz IEQMXRQUIDMWQV-AWEZNQCLSA-N 0 3 241.338 2.504 40 0 BFABHN CC[C@@H](C)NCc1ccc(OC)cc1OC ZINC000008326004 342797893 /nfs/dbraw/zinc/79/78/93/342797893.db2.gz MTNRVSGVXMTQOC-SNVBAGLBSA-N 0 3 223.316 2.592 40 0 BFABHN Cc1cc(N(C)C)ncc1[C@H](N)c1ccccc1 ZINC000072223114 259320755 /nfs/dbraw/zinc/32/07/55/259320755.db2.gz MUOWCRVKJQPTON-OAHLLOKOSA-N 0 3 241.338 2.504 40 0 BFABHN Cc1cc(Oc2ccccc2)ncc1CN ZINC000072223150 259320821 /nfs/dbraw/zinc/32/08/21/259320821.db2.gz VTIIIVGWWULFCW-UHFFFAOYSA-N 0 3 214.268 2.641 40 0 BFABHN CC1(C)C[C@@H](N)c2cc(Cl)ccc2O1 ZINC000011848960 342843770 /nfs/dbraw/zinc/84/37/70/342843770.db2.gz YCHLOTPQPGERAD-SECBINFHSA-N 0 3 211.692 2.901 40 0 BFABHN CC1=CO[C@](C)([C@H]2N[C@@H](C)CC(C)(C)N2)CC1 ZINC000019325720 342946074 /nfs/dbraw/zinc/94/60/74/342946074.db2.gz OCRUJCNPOFTYIS-OBJOEFQTSA-N 0 3 238.375 2.535 40 0 BFABHN NC1(c2ccccc2OC(F)(F)F)CC1 ZINC000095094318 346899356 /nfs/dbraw/zinc/89/93/56/346899356.db2.gz JCTKUJKKUFKEJI-UHFFFAOYSA-N 0 3 217.190 2.533 40 0 BFABHN CCOc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000019963770 342965263 /nfs/dbraw/zinc/96/52/63/342965263.db2.gz ULLNWEZOXSSGKJ-OLZOCXBDSA-N 0 3 249.354 2.915 40 0 BFABHN Cc1c(Cl)cccc1-n1cccc1CN ZINC000023993785 343068342 /nfs/dbraw/zinc/06/83/42/343068342.db2.gz UOVQVCJGGCWIDQ-UHFFFAOYSA-N 0 3 220.703 2.898 40 0 BFABHN CN(C)Cc1c[nH]c2c1cccc2Cl ZINC000032303348 343232057 /nfs/dbraw/zinc/23/20/57/343232057.db2.gz MPRBMXVJWHETAC-UHFFFAOYSA-N 0 3 208.692 2.883 40 0 BFABHN Cc1ccc(CNCCC(=O)OC(C)(C)C)cc1 ZINC000047218991 343559255 /nfs/dbraw/zinc/55/92/55/343559255.db2.gz MRAAIAGDDCDOMM-UHFFFAOYSA-N 0 3 249.354 2.816 40 0 BFABHN CC(=O)[C@H](C)CCCCCC1C=CC(=O)O1 ZINC000014490850 362889668 /nfs/dbraw/zinc/88/96/68/362889668.db2.gz MSOHKYKACHEERC-ZYHUDNBSSA-N 0 3 224.300 2.644 40 0 biogenic,in-vitro BFABHN Cc1c(Cl)cccc1CN1CCC[C@H](O)C1 ZINC000038539520 362964088 /nfs/dbraw/zinc/96/40/88/362964088.db2.gz NCKQWSMZYKGVHA-LBPRGKRZSA-N 0 3 239.746 2.605 40 0 BFABHN CCN(CC)[C@@H](CN)c1c(F)cccc1Cl ZINC000019796252 353121818 /nfs/dbraw/zinc/12/18/18/353121818.db2.gz CQXUFPOTBVQJCP-NSHDSACASA-N 0 3 244.741 2.821 40 0 BFABHN CC(C)(C)N1CCc2cc3c(cc2C1)OCO3 ZINC000001704006 188274475 /nfs/dbraw/zinc/27/44/75/188274475.db2.gz OKPJUVOAYGELMO-UHFFFAOYSA-N 0 3 233.311 2.572 40 0 BFABHN CN(C)CCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000004411304 188276443 /nfs/dbraw/zinc/27/64/43/188276443.db2.gz FFSUJINLERSHGM-OUCADQQQSA-N 0 3 225.376 2.779 40 0 BFABHN Clc1cc2c(cc1Cl)CNCC2 ZINC000012958078 357113373 /nfs/dbraw/zinc/11/33/73/357113373.db2.gz WQXHQPZDSGKULZ-UHFFFAOYSA-N 0 3 202.084 2.639 40 0 BFABHN C[C@H]1CCCN([C@H](CN)c2cccc(F)c2)C1 ZINC000108018407 369370654 /nfs/dbraw/zinc/37/06/54/369370654.db2.gz AQJWATPQMKGMEX-SMDDNHRTSA-N 0 3 236.334 2.557 40 0 BFABHN CCCCn1ccc([C@H](C)NCCOC)c1 ZINC000078406152 169037121 /nfs/dbraw/zinc/03/71/21/169037121.db2.gz IBOCISOOAOIQCE-LBPRGKRZSA-N 0 3 224.348 2.585 40 0 BFABHN c1cc([C@@H]2CCCCN2C2CCCC2)n[nH]1 ZINC000072348418 183361073 /nfs/dbraw/zinc/36/10/73/183361073.db2.gz YJPMDQFUBTUBTI-ZDUSSCGKSA-N 0 3 219.332 2.879 40 0 BFABHN CCCOc1ccccc1CNC[C@@H]1CCCO1 ZINC000020924397 169326488 /nfs/dbraw/zinc/32/64/88/169326488.db2.gz VUJURFLEWVEXGR-AWEZNQCLSA-N 0 3 249.354 2.744 40 0 BFABHN Cc1cncnc1[C@@H]1CCCCN1CC1CC1 ZINC000072361357 384213534 /nfs/dbraw/zinc/21/35/34/384213534.db2.gz XGTSLUUYKFLZQW-ZDUSSCGKSA-N 0 3 231.343 2.722 40 0 BFABHN Fc1ccc(CN2CC[C@H](c3cc[nH]n3)C2)cc1 ZINC000072381366 384216389 /nfs/dbraw/zinc/21/63/89/384216389.db2.gz NESDFRLKGQANKE-LBPRGKRZSA-N 0 3 245.301 2.538 40 0 BFABHN CC(C)c1cccc2cc3c(nc21)OCCNC3 ZINC000072392275 384218974 /nfs/dbraw/zinc/21/89/74/384218974.db2.gz UUMCPDYFHSZFMD-UHFFFAOYSA-N 0 3 242.322 2.840 40 0 BFABHN Cc1cc(C2(O)CCN(C)CC2)ccc1Cl ZINC000079030394 384265503 /nfs/dbraw/zinc/26/55/03/384265503.db2.gz MOLNPTDITPOUQF-UHFFFAOYSA-N 0 3 239.746 2.562 40 0 BFABHN CO[C@H](CN)c1ccc(Cl)cc1Cl ZINC000062711414 384848227 /nfs/dbraw/zinc/84/82/27/384848227.db2.gz JEKKETLJQMYLAY-SECBINFHSA-N 0 3 220.099 2.640 40 0 BFABHN CNCc1ccc(C)c(C)c1OC(C)C ZINC000095094903 384961047 /nfs/dbraw/zinc/96/10/47/384961047.db2.gz FJDUNNGSFVOBFC-UHFFFAOYSA-N 0 3 207.317 2.810 40 0 BFABHN CCN1CCCC[C@H]1c1cccnc1OC ZINC000072211736 385071159 /nfs/dbraw/zinc/07/11/59/385071159.db2.gz IZDCECQTOSFWDI-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CCNc1ccc([C@H]2CCCCN2C)cn1 ZINC000072213089 385078011 /nfs/dbraw/zinc/07/80/11/385078011.db2.gz HHTOTOANMRVBDZ-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CCN(CC)c1ncccc1[C@H]1CCCCN1 ZINC000072212909 385078070 /nfs/dbraw/zinc/07/80/70/385078070.db2.gz HBZVFYQWXQXRBL-CYBMUJFWSA-N 0 3 233.359 2.742 40 0 BFABHN CC(C)CNc1ccc([C@H]2CCCN2C)cn1 ZINC000072213300 385081047 /nfs/dbraw/zinc/08/10/47/385081047.db2.gz SSGWODYVFJRHJE-CYBMUJFWSA-N 0 3 233.359 2.916 40 0 BFABHN COc1ccc([C@@H]2CCCN2C(C)C)c(C)n1 ZINC000072218075 385088948 /nfs/dbraw/zinc/08/89/48/385088948.db2.gz XMOMAAZJAIUDBG-ZDUSSCGKSA-N 0 3 234.343 2.944 40 0 BFABHN CCN1CCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215973 385093343 /nfs/dbraw/zinc/09/33/43/385093343.db2.gz LHBBHPZCXGISLF-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN c1cnc(N2CCCCC2)c([C@@H]2CCCCN2)c1 ZINC000072216114 385093802 /nfs/dbraw/zinc/09/38/02/385093802.db2.gz JOIQCSNQEQOZHM-AWEZNQCLSA-N 0 3 245.370 2.887 40 0 BFABHN CN1CCC[C@@H]1c1cccnc1N1CCCCC1 ZINC000072216087 385094795 /nfs/dbraw/zinc/09/47/95/385094795.db2.gz YNVUNOWMIKXFEY-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN CN1CCC[C@H]1c1ccc(N2CCCCC2)nc1 ZINC000072216028 385094960 /nfs/dbraw/zinc/09/49/60/385094960.db2.gz KFZYHJKUTLGMLP-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN CSc1ccc([C@H]2CCCCN2)cn1 ZINC000072216894 385097330 /nfs/dbraw/zinc/09/73/30/385097330.db2.gz JTMBFEGVALICMX-SNVBAGLBSA-N 0 3 208.330 2.618 40 0 BFABHN CCN1CCC[C@@H]1c1ccc(SC)nc1 ZINC000072216872 385098359 /nfs/dbraw/zinc/09/83/59/385098359.db2.gz RSDYWSONBOCNPU-LLVKDONJSA-N 0 3 222.357 2.960 40 0 BFABHN CCN1CCC[C@H]1c1ccc(SC)nc1 ZINC000072216873 385098425 /nfs/dbraw/zinc/09/84/25/385098425.db2.gz RSDYWSONBOCNPU-NSHDSACASA-N 0 3 222.357 2.960 40 0 BFABHN Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C ZINC000072218754 385104233 /nfs/dbraw/zinc/10/42/33/385104233.db2.gz GJNNQIXERKLWCK-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN CN(C)CCNc1c(Cl)cc(N)cc1Cl ZINC000096524279 385275273 /nfs/dbraw/zinc/27/52/73/385275273.db2.gz LBIKSSWACUUXQL-UHFFFAOYSA-N 0 3 248.157 2.549 40 0 BFABHN CN[C@H]1CCc2c1cnn2C1CCCCC1 ZINC000095098084 385484229 /nfs/dbraw/zinc/48/42/29/385484229.db2.gz XCZSRSHBKRRDFO-LBPRGKRZSA-N 0 3 219.332 2.595 40 0 BFABHN CN(C)Cc1cccn1-c1ccccc1 ZINC000196340988 385507058 /nfs/dbraw/zinc/50/70/58/385507058.db2.gz OGIBBUZNKXSOME-UHFFFAOYSA-N 0 3 200.285 2.539 40 0 BFABHN COc1cc(CN)c(Cl)cc1OC(C)C ZINC000211089576 385761641 /nfs/dbraw/zinc/76/16/41/385761641.db2.gz NHSCSRDOOMOIPY-UHFFFAOYSA-N 0 3 229.707 2.595 40 0 BFABHN C[C@@H](N[C@@H]1CCC[C@@H]1CO)c1ccccc1F ZINC000096478423 385966586 /nfs/dbraw/zinc/96/65/86/385966586.db2.gz RGZVTHKOFJMHRZ-JTNHKYCSSA-N 0 3 237.318 2.637 40 0 BFABHN CC[C@H]1Cc2[nH]ccc2[C@@H](C(C)C)N1C ZINC000223714722 386094608 /nfs/dbraw/zinc/09/46/08/386094608.db2.gz FJMCVKFCWPJSRX-GXFFZTMASA-N 0 3 206.333 2.978 40 0 BFABHN CC(C)[C@@H](N)c1nc2cccnc2n1C(C)C ZINC000015774323 386461029 /nfs/dbraw/zinc/46/10/29/386461029.db2.gz DSXKPVFGUYCJMV-LLVKDONJSA-N 0 3 232.331 2.668 40 0 BFABHN CCCCCNCc1ccn(C(C)C)n1 ZINC000082866349 387854855 /nfs/dbraw/zinc/85/48/55/387854855.db2.gz QDTGUUADQLXEQG-UHFFFAOYSA-N 0 3 209.337 2.744 40 0 BFABHN CC(C)CCNCc1ccn(C(C)C)n1 ZINC000082866355 387855008 /nfs/dbraw/zinc/85/50/08/387855008.db2.gz JXAYYXNCJPTUSU-UHFFFAOYSA-N 0 3 209.337 2.600 40 0 BFABHN CCCCCNCc1ccnn1C(F)F ZINC000256051600 387858183 /nfs/dbraw/zinc/85/81/83/387858183.db2.gz JUNWYBPWYIIFIZ-UHFFFAOYSA-N 0 3 217.263 2.558 40 0 BFABHN Cc1sc(Br)c(CN)c1C ZINC000132823915 388369604 /nfs/dbraw/zinc/36/96/04/388369604.db2.gz XUVWFNRVLPCHRN-UHFFFAOYSA-N 0 3 220.135 2.586 40 0 BFABHN CCC[C@@H](NCC)C(=O)c1ccc(C)cc1 ZINC000003631196 388611902 /nfs/dbraw/zinc/61/19/02/388611902.db2.gz IKIANZXWCBSIGA-CYBMUJFWSA-N 0 3 219.328 2.956 40 0 in-vitro BFABHN N[C@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000161684298 388730137 /nfs/dbraw/zinc/73/01/37/388730137.db2.gz QJYOKZYZCBAPLS-VIFPVBQESA-N 0 3 216.206 2.510 40 0 BFABHN CCCc1nc(C(F)(F)F)ccc1CN ZINC000242473246 388764196 /nfs/dbraw/zinc/76/41/96/388764196.db2.gz FDQNPVGGTCLXRX-UHFFFAOYSA-N 0 3 218.222 2.512 40 0 BFABHN c1cncc([C@@H]2CCN[C@@H](c3cccnc3)C2)c1 ZINC000004654770 398084726 /nfs/dbraw/zinc/08/47/26/398084726.db2.gz COWQBMIVVHLMNO-IUODEOHRSA-N 0 3 239.322 2.685 40 0 in-vitro BFABHN CC(C)N[C@H](O)COc1cccc2ccccc21 ZINC000005381515 167140973 /nfs/dbraw/zinc/14/09/73/167140973.db2.gz XDPXEKYDDUVROO-OAHLLOKOSA-N 0 3 245.322 2.535 40 0 BFABHN CC(C)Oc1ccccc1CNC[C@@H]1CCCO1 ZINC000032104791 167311200 /nfs/dbraw/zinc/31/12/00/167311200.db2.gz BOEUSBWYSAPXAK-AWEZNQCLSA-N 0 3 249.354 2.742 40 0 BFABHN CCNCc1ccc(C)c(C)c1OCC ZINC000095094895 170126574 /nfs/dbraw/zinc/12/65/74/170126574.db2.gz LFLYSZXILHFCEV-UHFFFAOYSA-N 0 3 207.317 2.812 40 0 BFABHN CC[C@H](C)NCc1cccc(OC)c1OC ZINC000008326774 171342893 /nfs/dbraw/zinc/34/28/93/171342893.db2.gz FPJIJINMLJVALZ-JTQLQIEISA-N 0 3 223.316 2.592 40 0 BFABHN CC[C@H](C)NCc1cc(OC)ccc1OC ZINC000019882757 171343418 /nfs/dbraw/zinc/34/34/18/171343418.db2.gz UPQYKMWEBHXEMT-JTQLQIEISA-N 0 3 223.316 2.592 40 0 BFABHN CC[C@H](C)Oc1ccccc1CNCCOC ZINC000062729551 171357159 /nfs/dbraw/zinc/35/71/59/171357159.db2.gz ULAICRBFEYYWHG-LBPRGKRZSA-N 0 3 237.343 2.600 40 0 BFABHN CNCc1cc(Cl)cc(Cl)c1OC ZINC000005910013 173387219 /nfs/dbraw/zinc/38/72/19/173387219.db2.gz ITYGKBZOYQQXAL-UHFFFAOYSA-N 0 3 220.099 2.721 40 0 BFABHN COCCCn1cccc1CN1CCCCC1 ZINC000225309430 174266745 /nfs/dbraw/zinc/26/67/45/174266745.db2.gz QWRIOPNUYMOGFS-UHFFFAOYSA-N 0 3 236.359 2.511 40 0 BFABHN COCCNCc1ccn(C2CCCCC2)c1 ZINC000223693961 174335854 /nfs/dbraw/zinc/33/58/54/174335854.db2.gz AWRIQTMUACFKBX-UHFFFAOYSA-N 0 3 236.359 2.729 40 0 BFABHN COc1ccc(C2=C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000005496124 175085215 /nfs/dbraw/zinc/08/52/15/175085215.db2.gz RWGWKXAJPMBTBL-KGLIPLIRSA-N 0 3 229.323 2.945 40 0 BFABHN COc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963604 175177086 /nfs/dbraw/zinc/17/70/86/175177086.db2.gz NICCLSBWWUDBHY-RISCZKNCSA-N 0 3 235.327 2.525 40 0 BFABHN COc1ccccc1[C@H](C)NC[C@@H]1CCCO1 ZINC000019963509 175351848 /nfs/dbraw/zinc/35/18/48/175351848.db2.gz JOWYGUNQOPNQSW-RYUDHWBXSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@H](c1cccc(Cl)c1)N1CCC[C@H](O)C1 ZINC000043220490 177036879 /nfs/dbraw/zinc/03/68/79/177036879.db2.gz JWCOLZVFSATOJX-MFKMUULPSA-N 0 3 239.746 2.858 40 0 BFABHN C[C@H]1CCCCN1Cc1ccc(C=O)cc1 ZINC000095738619 177077474 /nfs/dbraw/zinc/07/74/74/177077474.db2.gz HROYHAJNIGCHGG-LBPRGKRZSA-N 0 3 217.312 2.874 40 0 BFABHN Cc1cc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)oc1C ZINC000096045920 178001651 /nfs/dbraw/zinc/00/16/51/178001651.db2.gz SLYWROPZOGGCPX-WHOFXGATSA-N 0 3 249.354 2.896 40 0 BFABHN Cc1cc2cc(CN)c(Cl)nc2cc1C ZINC000089261984 178294497 /nfs/dbraw/zinc/29/44/97/178294497.db2.gz OLAXLYSZNQHZAS-UHFFFAOYSA-N 0 3 220.703 2.964 40 0 BFABHN CCOC(=O)C[C@H](NC)c1ccc(Cl)cc1 ZINC000072210268 259316493 /nfs/dbraw/zinc/31/64/93/259316493.db2.gz FFURIXAMZAMCQH-NSHDSACASA-N 0 3 241.718 2.554 40 0 BFABHN CCN1CCCC[C@@H]1c1cccnc1NC ZINC000072212552 259317656 /nfs/dbraw/zinc/31/76/56/259317656.db2.gz UDRGQNJODISMJB-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CCCCCN(C)CCOC(=O)N(CC)CC ZINC000001677417 342708477 /nfs/dbraw/zinc/70/84/77/342708477.db2.gz OAUCLBWUQXNSDA-UHFFFAOYSA-N 0 3 244.379 2.587 40 0 BFABHN CC(=O)CCN(C)[C@@H](C)Cc1ccccc1 ZINC000006487311 342778526 /nfs/dbraw/zinc/77/85/26/342778526.db2.gz BLNTYGUDWBLSNZ-LBPRGKRZSA-N 0 3 219.328 2.529 40 0 BFABHN CNCc1cnc(Oc2ccccc2)c(C)c1 ZINC000072222131 259320050 /nfs/dbraw/zinc/32/00/50/259320050.db2.gz HVJLOIDMVJSDAR-UHFFFAOYSA-N 0 3 228.295 2.902 40 0 BFABHN Cc1ccc(C)c2nc3c(cc12)CNC[C@@H](C)O3 ZINC000019134694 342942456 /nfs/dbraw/zinc/94/24/56/342942456.db2.gz RQISLKDAVVEUGT-LLVKDONJSA-N 0 3 242.322 2.722 40 0 BFABHN CCCCOc1ccc(CNCCOC)cc1 ZINC000020085569 342968402 /nfs/dbraw/zinc/96/84/02/342968402.db2.gz VBXSYOBHZDYTLX-UHFFFAOYSA-N 0 3 237.343 2.602 40 0 BFABHN C=COCCNCc1ccc(Cl)s1 ZINC000005517769 348929080 /nfs/dbraw/zinc/92/90/80/348929080.db2.gz UBCBNBCWHKQRKD-UHFFFAOYSA-N 0 3 217.721 2.651 40 0 BFABHN CC(C)n1ccnc1[C@@H]1CNCc2ccccc21 ZINC000306125756 538042538 /nfs/dbraw/zinc/04/25/38/538042538.db2.gz DBLIDZJXRLPCHV-CQSZACIVSA-N 0 3 241.338 2.699 40 0 BFABHN CC(=O)[C@]1(c2ccccc2)CCCN(C)CC1 ZINC000005712669 188278087 /nfs/dbraw/zinc/27/80/87/188278087.db2.gz VSAAQIAFGFUKFJ-HNNXBMFYSA-N 0 3 231.339 2.629 40 0 BFABHN CC(C)(C)c1c[nH]c([C@@H]2CCCCN2)n1 ZINC000036876663 188285933 /nfs/dbraw/zinc/28/59/33/188285933.db2.gz ZAZFBZUBIYGKPW-VIFPVBQESA-N 0 3 207.321 2.522 40 0 BFABHN N=C(N)c1c(Cl)cc(Cl)cc1Cl ZINC000001442847 181192956 /nfs/dbraw/zinc/19/29/56/181192956.db2.gz XCBSCVLZFUKVOY-UHFFFAOYSA-N 0 3 223.490 2.931 40 0 BFABHN CC(C)N1CCCC[C@H]1c1cccnc1N ZINC000072212437 259525326 /nfs/dbraw/zinc/52/53/26/259525326.db2.gz WNTJVHJPBNJFES-LBPRGKRZSA-N 0 3 219.332 2.599 40 0 BFABHN CCCCn1cccc1CN1CCCC1 ZINC000225309055 169037214 /nfs/dbraw/zinc/03/72/14/169037214.db2.gz KNALYNHZFDXEAQ-UHFFFAOYSA-N 0 3 206.333 2.884 40 0 BFABHN [O-]c1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@@H]21 ZINC000000000685 183279987 /nfs/dbraw/zinc/27/99/87/183279987.db2.gz AFZUMYMXNCDSQR-ABAIWWIYSA-O 0 3 242.342 2.712 40 0 in-man BFABHN c1cc(CN2CCCCC2)n(C2CC2)c1 ZINC000225309341 183340532 /nfs/dbraw/zinc/34/05/32/183340532.db2.gz CDIIUWQWMCNMHI-UHFFFAOYSA-N 0 3 204.317 2.809 40 0 BFABHN Cc1cc(C)c2cc(CN)c(Cl)nc2c1 ZINC000089261988 383954603 /nfs/dbraw/zinc/95/46/03/383954603.db2.gz DMHNYAPOSVUZNG-UHFFFAOYSA-N 0 3 220.703 2.964 40 0 BFABHN CN(C)C[C@@]1(C)Cc2cc(Cl)sc2C1=O ZINC000004934684 384091204 /nfs/dbraw/zinc/09/12/04/384091204.db2.gz IIILQVNRZWMLHM-LLVKDONJSA-N 0 3 243.759 2.708 40 0 BFABHN CNc1cccc([C@@H]2CCCN2C(C)C)n1 ZINC000072356977 384211829 /nfs/dbraw/zinc/21/18/29/384211829.db2.gz JXTJELHCFGEXMU-LBPRGKRZSA-N 0 3 219.332 2.669 40 0 BFABHN CCc1cccc2cc3c(nc21)O[C@H](C)CNC3 ZINC000072392278 384219253 /nfs/dbraw/zinc/21/92/53/384219253.db2.gz HKTZEJCBDIVEIO-SNVBAGLBSA-N 0 3 242.322 2.668 40 0 BFABHN CN(C)CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000012649737 384328563 /nfs/dbraw/zinc/32/85/63/384328563.db2.gz MXOPILVGQYKXRO-LLVKDONJSA-N 0 3 248.153 2.979 40 0 BFABHN CN(C)CCNCc1c(Cl)cccc1Cl ZINC000019266922 384512554 /nfs/dbraw/zinc/51/25/54/384512554.db2.gz HSSBUSALGVFKNV-UHFFFAOYSA-N 0 3 247.169 2.645 40 0 BFABHN Cc1ccc(CN)c(F)c1C(F)(F)F ZINC000098210864 384605633 /nfs/dbraw/zinc/60/56/33/384605633.db2.gz BAKDMJAKWZTTDO-UHFFFAOYSA-N 0 3 207.170 2.612 40 0 BFABHN Cc1ccc(F)cc1CN[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000129093491 384977227 /nfs/dbraw/zinc/97/72/27/384977227.db2.gz UONWEWRDJGPRJA-RDBSUJKOSA-N 0 3 235.302 2.544 40 0 BFABHN CN1CCC[C@@H]1c1cccnc1NC1CCC1 ZINC000072213883 385084062 /nfs/dbraw/zinc/08/40/62/385084062.db2.gz KKYLGXFWYHVLQD-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(C)nc1 ZINC000072211252 385067131 /nfs/dbraw/zinc/06/71/31/385067131.db2.gz SHTLUNYUAGFTIH-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@@H]1c1ncccc1C ZINC000072211147 385069002 /nfs/dbraw/zinc/06/90/02/385069002.db2.gz ULOVRFROGOBDNM-GFCCVEGCSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@@H]1c1cncc(C)c1 ZINC000072211356 385071968 /nfs/dbraw/zinc/07/19/68/385071968.db2.gz HXMMWBKVSLHTKL-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN COc1ncccc1[C@H]1CCCN1CC(C)C ZINC000072211724 385072851 /nfs/dbraw/zinc/07/28/51/385072851.db2.gz XYNCKLPODRTNMQ-CYBMUJFWSA-N 0 3 234.343 2.883 40 0 BFABHN CC(C)CNc1ncccc1[C@@H]1CCCCN1 ZINC000072213266 385077860 /nfs/dbraw/zinc/07/78/60/385077860.db2.gz MMJOHVDPQJTHNX-ZDUSSCGKSA-N 0 3 233.359 2.964 40 0 BFABHN CCCNc1ccc([C@@H]2CCCN2C)cn1 ZINC000072213179 385078184 /nfs/dbraw/zinc/07/81/84/385078184.db2.gz ANRZTGYRVNMBNP-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CCCN1CCC[C@@H]1c1ccc(OC)nc1C ZINC000072218077 385090096 /nfs/dbraw/zinc/09/00/96/385090096.db2.gz CRTAHBKGJFGZME-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN CCN1CCC[C@@H]1c1ccc(OC)nc1C ZINC000072218067 385090688 /nfs/dbraw/zinc/09/06/88/385090688.db2.gz MMKQKUZRIJAQFZ-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN CCN1CCC[C@H]1c1ccc(OC)nc1C ZINC000072218068 385090807 /nfs/dbraw/zinc/09/08/07/385090807.db2.gz MMKQKUZRIJAQFZ-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN c1cnc(N2CCCCC2)c([C@H]2CCCCN2)c1 ZINC000072216115 385094089 /nfs/dbraw/zinc/09/40/89/385094089.db2.gz JOIQCSNQEQOZHM-CQSZACIVSA-N 0 3 245.370 2.887 40 0 BFABHN CCN1CCC[C@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218612 385102166 /nfs/dbraw/zinc/10/21/66/385102166.db2.gz MVZMHDAFOGHOFT-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN COc1ccccc1[C@@H]1CCCCN1C ZINC000072221474 385107191 /nfs/dbraw/zinc/10/71/91/385107191.db2.gz HTFMLIHDBUGANR-LBPRGKRZSA-N 0 3 205.301 2.852 40 0 BFABHN C[C@@H](N)c1ccn(CCCC2CCCC2)n1 ZINC000096524129 385272164 /nfs/dbraw/zinc/27/21/64/385272164.db2.gz XBOAYCGAQVSGFN-LLVKDONJSA-N 0 3 221.348 2.873 40 0 BFABHN N[C@@H](c1ccc(C(F)(F)F)cn1)C1CC1 ZINC000161684189 385451819 /nfs/dbraw/zinc/45/18/19/385451819.db2.gz QJYOKZYZCBAPLS-SECBINFHSA-N 0 3 216.206 2.510 40 0 BFABHN CCO[C@H](CN)c1ccccc1C(F)(F)F ZINC000062711968 385691211 /nfs/dbraw/zinc/69/12/11/385691211.db2.gz IHGPBJXCXSQJOJ-SNVBAGLBSA-N 0 3 233.233 2.742 40 0 BFABHN CCO[C@@H](CN)c1ccccc1C(F)(F)F ZINC000062711965 385691261 /nfs/dbraw/zinc/69/12/61/385691261.db2.gz IHGPBJXCXSQJOJ-JTQLQIEISA-N 0 3 233.233 2.742 40 0 BFABHN C[C@H](N)c1ncc(Br)cc1Cl ZINC000083428645 385993048 /nfs/dbraw/zinc/99/30/48/385993048.db2.gz DOVCFQCAVQSKQC-BYPYZUCNSA-N 0 3 235.512 2.517 40 0 BFABHN COc1cccc(OC)c1[C@@H]1CCCCN1 ZINC000003734614 386837720 /nfs/dbraw/zinc/83/77/20/386837720.db2.gz IZWNTQGOMAUBLP-JTQLQIEISA-N 0 3 221.300 2.518 40 0 BFABHN NCc1cncc(-c2ccc(Cl)cc2)c1 ZINC000091351629 388626522 /nfs/dbraw/zinc/62/65/22/388626522.db2.gz KHKZPUDQLZYPFB-UHFFFAOYSA-N 0 3 218.687 2.861 40 0 BFABHN CCOc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 ZINC000153097201 397739322 /nfs/dbraw/zinc/73/93/22/397739322.db2.gz AUPIDJVKGWCGIF-WFASDCNBSA-N 0 3 249.354 2.915 40 0 BFABHN N[C@H](c1ccccc1)c1ccc(Cl)nc1 ZINC000072225853 322908959 /nfs/dbraw/zinc/90/89/59/322908959.db2.gz XGGPEQYCNLZHEO-GFCCVEGCSA-N 0 3 218.687 2.783 40 0 BFABHN CNCc1ccc(SC(C)(C)C)nc1 ZINC000072225755 322908993 /nfs/dbraw/zinc/90/89/93/322908993.db2.gz DBYXOKNBYCZRNM-UHFFFAOYSA-N 0 3 210.346 2.692 40 0 BFABHN CC(C)N[C@@H](C)C(=O)c1ccc(Cl)cc1 ZINC000041609183 167129036 /nfs/dbraw/zinc/12/90/36/167129036.db2.gz AZTFYJYLDIQSAG-VIFPVBQESA-N 0 3 225.719 2.909 40 0 in-vitro BFABHN CC(C)O[C@@H](CN)c1ccccc1Cl ZINC000043087718 167281345 /nfs/dbraw/zinc/28/13/45/167281345.db2.gz XKVBXFWPEVSQDW-NSHDSACASA-N 0 3 213.708 2.765 40 0 BFABHN CC(C)c1cccc(C2(O)CCN(C)CC2)c1 ZINC000079030449 167630544 /nfs/dbraw/zinc/63/05/44/167630544.db2.gz VNCQRDPCRGWSLL-UHFFFAOYSA-N 0 3 233.355 2.723 40 0 BFABHN CC1CCN(Cc2ccc(C=O)cc2)CC1 ZINC000015014311 168184392 /nfs/dbraw/zinc/18/43/92/168184392.db2.gz GMWDFCXYQIXWCS-UHFFFAOYSA-N 0 3 217.312 2.731 40 0 BFABHN CCN(CCO)Cc1cccc(C(F)(F)F)c1 ZINC000049754292 169857581 /nfs/dbraw/zinc/85/75/81/169857581.db2.gz NCYFIWMGXZBQJZ-UHFFFAOYSA-N 0 3 247.260 2.520 40 0 BFABHN CCN[C@@H](C)c1ccccc1OC(F)F ZINC000019510300 170141866 /nfs/dbraw/zinc/14/18/66/170141866.db2.gz NKTWRHTXYMFKHE-QMMMGPOBSA-N 0 3 215.243 2.959 40 0 BFABHN CCN[C@@H](CC)C(=O)c1ccc2c(c1)CCC2 ZINC000071535495 170143933 /nfs/dbraw/zinc/14/39/33/170143933.db2.gz VJXZPPKMTRTYIH-AWEZNQCLSA-N 0 3 231.339 2.746 40 0 in-vitro BFABHN CC[C@H](C)N1CCN(Cc2ccc(C)cc2)CC1 ZINC000019889611 171319035 /nfs/dbraw/zinc/31/90/35/171319035.db2.gz KYJKJHIZDCHKLA-HNNXBMFYSA-N 0 3 246.398 2.911 40 0 BFABHN CN1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 ZINC000072376464 173035587 /nfs/dbraw/zinc/03/55/87/173035587.db2.gz UGRBIULZBMCBGW-CQSZACIVSA-N 0 3 239.322 2.910 40 0 BFABHN COCCNCc1cc2ccccc2c(OC)c1 ZINC000096527831 174335971 /nfs/dbraw/zinc/33/59/71/174335971.db2.gz CFXRUXNTENIVAG-UHFFFAOYSA-N 0 3 245.322 2.584 40 0 BFABHN COCCN[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000019881636 174337905 /nfs/dbraw/zinc/33/79/05/174337905.db2.gz JPEYNBQVZUPJBL-LBPRGKRZSA-N 0 3 237.343 2.771 40 0 BFABHN COc1ccc2nc(C)cc(N(C)C)c2c1 ZINC000019118884 175227831 /nfs/dbraw/zinc/22/78/31/175227831.db2.gz PHJICLSGLHQANW-UHFFFAOYSA-N 0 3 216.284 2.618 40 0 BFABHN C[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](O)C1 ZINC000100213378 176018268 /nfs/dbraw/zinc/01/82/68/176018268.db2.gz JWCOLZVFSATOJX-GXFFZTMASA-N 0 3 239.746 2.858 40 0 BFABHN C[C@@H]1CCCCN1Cc1ccc(C=O)cc1 ZINC000095738618 176072939 /nfs/dbraw/zinc/07/29/39/176072939.db2.gz HROYHAJNIGCHGG-GFCCVEGCSA-N 0 3 217.312 2.874 40 0 BFABHN C[C@@H]1CCCN([C@@H](CN)c2ccccc2F)C1 ZINC000019400342 176103074 /nfs/dbraw/zinc/10/30/74/176103074.db2.gz VPHYZNNRJQDDPC-RISCZKNCSA-N 0 3 236.334 2.557 40 0 BFABHN Cc1cc(CN2CC[C@]3(CCCO3)C2)oc1C ZINC000096051024 178002786 /nfs/dbraw/zinc/00/27/86/178002786.db2.gz RVFBVGAJRGMHIA-CQSZACIVSA-N 0 3 235.327 2.651 40 0 BFABHN Cc1cc2cc3c(nc2cc1C)O[C@@H](C)CNC3 ZINC000019126619 178295306 /nfs/dbraw/zinc/29/53/06/178295306.db2.gz PLPYCFIXJUQIDO-NSHDSACASA-N 0 3 242.322 2.722 40 0 BFABHN CCOC(=O)C[C@H](NC)c1cccc(Cl)c1 ZINC000072210270 259316528 /nfs/dbraw/zinc/31/65/28/259316528.db2.gz WPUTVECZPUTFEM-NSHDSACASA-N 0 3 241.718 2.554 40 0 BFABHN C[C@@H](CC(=O)c1ccccc1)N1CCCC1 ZINC000001724540 342711481 /nfs/dbraw/zinc/71/14/81/342711481.db2.gz GELYRENCUZZKHM-LBPRGKRZSA-N 0 3 217.312 2.744 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(N)c(C)c1 ZINC000072218456 259318476 /nfs/dbraw/zinc/31/84/76/259318476.db2.gz IDKDRDRGFZTVGQ-GFCCVEGCSA-N 0 3 219.332 2.519 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(OC)nc1C ZINC000072218093 259318270 /nfs/dbraw/zinc/31/82/70/259318270.db2.gz JKVSSEBBQSEGFY-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CSc1ncccc1[C@@H]1CCCN1C ZINC000072216927 259318437 /nfs/dbraw/zinc/31/84/37/259318437.db2.gz YNDNPNAULCMPDB-JTQLQIEISA-N 0 3 208.330 2.570 40 0 BFABHN C[C@H](CC(=O)c1ccccc1)N1CCCC1 ZINC000006491586 342778664 /nfs/dbraw/zinc/77/86/64/342778664.db2.gz GELYRENCUZZKHM-GFCCVEGCSA-N 0 3 217.312 2.744 40 0 BFABHN CCCCCNCc1ccc(OC)cc1OC ZINC000007261314 342790302 /nfs/dbraw/zinc/79/03/02/342790302.db2.gz UZLATJQHLTUOOR-UHFFFAOYSA-N 0 3 237.343 2.984 40 0 BFABHN CCOc1ncc([C@H](N)c2ccccc2)cc1C ZINC000072222101 259320214 /nfs/dbraw/zinc/32/02/14/259320214.db2.gz GIBIEIXHQAMISS-CQSZACIVSA-N 0 3 242.322 2.837 40 0 BFABHN Cc1cc(N(C)C)ncc1[C@@H](N)c1ccccc1 ZINC000072223115 259320783 /nfs/dbraw/zinc/32/07/83/259320783.db2.gz MUOWCRVKJQPTON-HNNXBMFYSA-N 0 3 241.338 2.504 40 0 BFABHN Cc1cc([C@@H](N)c2ccccc2)c[nH]c1=S ZINC000072222750 259320828 /nfs/dbraw/zinc/32/08/28/259320828.db2.gz UIHKFRSIWUQTAG-LBPRGKRZSA-N 0 3 230.336 2.727 40 0 BFABHN CCCNc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225228 259321893 /nfs/dbraw/zinc/32/18/93/259321893.db2.gz JIALQHNOQOJFCU-HNNXBMFYSA-N 0 3 241.338 2.952 40 0 BFABHN CCN(C)c1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225247 259322435 /nfs/dbraw/zinc/32/24/35/259322435.db2.gz YPFDETXZMOUHHF-OAHLLOKOSA-N 0 3 241.338 2.586 40 0 BFABHN Cc1ccc(C(C)(C)O)c(CN(C)C)c1C ZINC000001662357 178451988 /nfs/dbraw/zinc/45/19/88/178451988.db2.gz FBUNMLVLZNWHAQ-UHFFFAOYSA-N 0 3 221.344 2.592 40 0 BFABHN FC(F)COc1ccccc1CNC1CC1 ZINC000037755468 342975297 /nfs/dbraw/zinc/97/52/97/342975297.db2.gz CEMMFYQDEQWOJG-UHFFFAOYSA-N 0 3 227.254 2.583 40 0 BFABHN CCOc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963695 342965130 /nfs/dbraw/zinc/96/51/30/342965130.db2.gz GWZHNODLZKJLGW-SWLSCSKDSA-N 0 3 249.354 2.915 40 0 BFABHN CN(C)Cc1c[nH]c2cccc(Cl)c12 ZINC000034569034 343274934 /nfs/dbraw/zinc/27/49/34/343274934.db2.gz QSRHZMVQLWOTMN-UHFFFAOYSA-N 0 3 208.692 2.883 40 0 BFABHN Cc1ccc([C@@H](O)[C@H](N)c2ccccc2)cc1 ZINC000005546297 178869406 /nfs/dbraw/zinc/86/94/06/178869406.db2.gz CPTGAOPLCQIBTJ-HUUCEWRRSA-N 0 3 227.307 2.728 40 0 BFABHN NCc1cccn1Cc1ccccc1Cl ZINC000085581686 188124850 /nfs/dbraw/zinc/12/48/50/188124850.db2.gz RUOBSIJHJFHKDZ-UHFFFAOYSA-N 0 3 220.703 2.649 40 0 BFABHN COc1cc(CN2CCC(C)CC2)ccc1O ZINC000131855199 538597766 /nfs/dbraw/zinc/59/77/66/538597766.db2.gz SPMYMDCCXPGBDI-UHFFFAOYSA-N 0 3 235.327 2.633 40 0 BFABHN CC(C)Oc1ccc([C@H]2CCCCN2)cn1 ZINC000072211912 259525190 /nfs/dbraw/zinc/52/51/90/259525190.db2.gz UULIVSMUAQWGNX-GFCCVEGCSA-N 0 3 220.316 2.683 40 0 BFABHN NC1c2ccccc2CCc2ccccc21 ZINC000001569429 181346158 /nfs/dbraw/zinc/34/61/58/181346158.db2.gz KTADHXXSCNRJRT-UHFFFAOYSA-N 0 3 209.292 2.833 40 0 BFABHN N[C@@H](c1cccs1)c1cccc(F)c1 ZINC000019842089 371194321 /nfs/dbraw/zinc/19/43/21/371194321.db2.gz CRDOIKVWLSKCIE-LLVKDONJSA-N 0 3 207.273 2.935 40 0 BFABHN OC[C@@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000041282813 183114784 /nfs/dbraw/zinc/11/47/84/183114784.db2.gz HOOGQYXOVYJIDQ-ZDUSSCGKSA-N 0 3 239.746 2.859 40 0 BFABHN [O-]c1ccc(C[NH+]2CCCC2)cc1Cl ZINC000096543748 183268585 /nfs/dbraw/zinc/26/85/85/183268585.db2.gz DIQSLLUSEPJWDA-UHFFFAOYSA-N 0 3 211.692 2.641 40 0 BFABHN CCCNC(C)(C)C(=O)Nc1ccccc1C ZINC000002019972 169254542 /nfs/dbraw/zinc/25/45/42/169254542.db2.gz PTTCXIMECHPBJX-UHFFFAOYSA-N 0 3 234.343 2.712 40 0 in-man BFABHN c1cc([C@H]2CCCCN2)n(C2CCCC2)n1 ZINC000096509764 183362219 /nfs/dbraw/zinc/36/22/19/183362219.db2.gz FUWWIIUTJVBQFA-GFCCVEGCSA-N 0 3 219.332 2.813 40 0 BFABHN CCCOc1ccccc1CNCCCOC ZINC000020924647 169326538 /nfs/dbraw/zinc/32/65/38/169326538.db2.gz XYSNDAMMAPYIDO-UHFFFAOYSA-N 0 3 237.343 2.602 40 0 BFABHN c1ccc2c(c1)C=C(CN1CCCCC1)CO2 ZINC000001718135 383928339 /nfs/dbraw/zinc/92/83/39/383928339.db2.gz XELFDEFPMATMSQ-UHFFFAOYSA-N 0 3 229.323 2.948 40 0 BFABHN CNCc1ccccc1OCCC(F)(F)F ZINC000070911771 383958978 /nfs/dbraw/zinc/95/89/78/383958978.db2.gz GFCJXZMOWBPUHQ-UHFFFAOYSA-N 0 3 233.233 2.737 40 0 BFABHN Cc1ccc2[nH]c(C3=CCN(C)CC3)nc2c1 ZINC000073636230 384027918 /nfs/dbraw/zinc/02/79/18/384027918.db2.gz WALWVNGRQZYAQF-UHFFFAOYSA-N 0 3 227.311 2.590 40 0 BFABHN Cc1ccc2nc(C3=CCN(C)CC3)[nH]c2c1 ZINC000073636230 384027925 /nfs/dbraw/zinc/02/79/25/384027925.db2.gz WALWVNGRQZYAQF-UHFFFAOYSA-N 0 3 227.311 2.590 40 0 BFABHN CCCCOCCCNCc1ccc(C)o1 ZINC000040731317 384162418 /nfs/dbraw/zinc/16/24/18/384162418.db2.gz QXICXYAFLAIWRK-UHFFFAOYSA-N 0 3 225.332 2.884 40 0 BFABHN O=Cc1cccc(OCCN2CCCCCC2)c1 ZINC000031978434 384192259 /nfs/dbraw/zinc/19/22/59/384192259.db2.gz ZMLXVJYDCYVVIE-UHFFFAOYSA-N 0 3 247.338 2.754 40 0 BFABHN Cc1ccnc([C@@H]2CCCN2C2CCCC2)n1 ZINC000072356822 384209660 /nfs/dbraw/zinc/20/96/60/384209660.db2.gz FUAFOOKKABMJNC-ZDUSSCGKSA-N 0 3 231.343 2.865 40 0 BFABHN Fc1ccc(CN2CC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000072381367 384217276 /nfs/dbraw/zinc/21/72/76/384217276.db2.gz NESDFRLKGQANKE-GFCCVEGCSA-N 0 3 245.301 2.538 40 0 BFABHN CCc1ccc2c(c1)[C@@H](N)CC(C)(C)O2 ZINC000011848953 384298349 /nfs/dbraw/zinc/29/83/49/384298349.db2.gz BARMYPFKQXQJLP-NSHDSACASA-N 0 3 205.301 2.810 40 0 BFABHN O=Cc1ccccc1OCCN1CCCCCC1 ZINC000009237557 384406666 /nfs/dbraw/zinc/40/66/66/384406666.db2.gz VJVAWPQKWVPKSE-UHFFFAOYSA-N 0 3 247.338 2.754 40 0 BFABHN COC[C@@]12CCC[C@@H]1CN(Cc1ccc(C)o1)C2 ZINC000096109135 384433397 /nfs/dbraw/zinc/43/33/97/384433397.db2.gz DBRRNNBBTLRAIL-HIFRSBDPSA-N 0 3 249.354 2.837 40 0 BFABHN Cc1onc(-c2c(F)cccc2Cl)c1CN ZINC000044248525 384438029 /nfs/dbraw/zinc/43/80/29/384438029.db2.gz FCNQCCIUMUPWQD-UHFFFAOYSA-N 0 3 240.665 2.901 40 0 BFABHN CN(C)CCNCc1cccc(Cl)c1Cl ZINC000019481943 384526290 /nfs/dbraw/zinc/52/62/90/384526290.db2.gz LACBMRGGBAWVQG-UHFFFAOYSA-N 0 3 247.169 2.645 40 0 BFABHN CCCN1CCC[C@H]1c1cccnc1OC ZINC000072211723 385072142 /nfs/dbraw/zinc/07/21/42/385072142.db2.gz AGVAVZBTHHYFTQ-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CC(C)N1CCCC[C@H]1c1ccc(N)nc1 ZINC000072212381 385074079 /nfs/dbraw/zinc/07/40/79/385074079.db2.gz LSKYTWZYNWVZJE-LBPRGKRZSA-N 0 3 219.332 2.599 40 0 BFABHN CCCN1CCC[C@@H]1c1cccnc1NC ZINC000072212537 385076576 /nfs/dbraw/zinc/07/65/76/385076576.db2.gz XKIBPOPCTHPNDR-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CCN(C)c1ncccc1[C@@H]1CCCN1CC ZINC000072212768 385080372 /nfs/dbraw/zinc/08/03/72/385080372.db2.gz JLIIXLBLWBXILE-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN Cc1nc(Oc2ccccc2)ccc1CN ZINC000072224193 385114966 /nfs/dbraw/zinc/11/49/66/385114966.db2.gz BDRKDGZHOJGVMV-UHFFFAOYSA-N 0 3 214.268 2.641 40 0 BFABHN Cc1nc(N(C)C)ccc1[C@@H](N)c1ccccc1 ZINC000072224157 385115946 /nfs/dbraw/zinc/11/59/46/385115946.db2.gz KTEFFASJWRBOTP-HNNXBMFYSA-N 0 3 241.338 2.504 40 0 BFABHN Cc1nc(N(C)C)ccc1[C@H](N)c1ccccc1 ZINC000072224156 385116960 /nfs/dbraw/zinc/11/69/60/385116960.db2.gz KTEFFASJWRBOTP-OAHLLOKOSA-N 0 3 241.338 2.504 40 0 BFABHN COc1cc(C)c([C@H]2CCCCN2C)cn1 ZINC000072218031 385087363 /nfs/dbraw/zinc/08/73/63/385087363.db2.gz YSKDLSHHGZESFB-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN c1ccc2c(c1)cccc2-c1n[nH]c2c1CNCC2 ZINC000019200219 385172474 /nfs/dbraw/zinc/17/24/74/385172474.db2.gz AFXCHTBZDCGMLS-UHFFFAOYSA-N 0 3 249.317 2.876 40 0 BFABHN C[C@@H](NC(C)(C)C)C(=O)c1ccccc1 ZINC000033852021 385271318 /nfs/dbraw/zinc/27/13/18/385271318.db2.gz JQNSRSIGKZYQAA-SNVBAGLBSA-N 0 3 205.301 2.646 40 0 in-vivo BFABHN CC[C@H](C)n1c(C)cc(CNCCOC)c1C ZINC000223676274 386092493 /nfs/dbraw/zinc/09/24/93/386092493.db2.gz HBLPTSZDXYYGPK-NSHDSACASA-N 0 3 238.375 2.812 40 0 BFABHN CCCCCNCc1ccnn1CCC ZINC000164826238 387853239 /nfs/dbraw/zinc/85/32/39/387853239.db2.gz QUMZOQNQIODIHB-UHFFFAOYSA-N 0 3 209.337 2.573 40 0 BFABHN CCCn1nccc1CNCCc1ccccc1 ZINC000159965907 387853438 /nfs/dbraw/zinc/85/34/38/387853438.db2.gz HHAYFLGSZNYQKU-UHFFFAOYSA-N 0 3 243.354 2.625 40 0 BFABHN CC(C)CCNCc1ccn(CC(F)(F)F)n1 ZINC000256052266 387860723 /nfs/dbraw/zinc/86/07/23/387860723.db2.gz MQDCMEOXLGJQLA-UHFFFAOYSA-N 0 3 249.280 2.581 40 0 BFABHN Cc1cc(C)c(C(=O)CCN(C)C)c(C)c1 ZINC000005064290 177838942 /nfs/dbraw/zinc/83/89/42/177838942.db2.gz DRDSFJKWBUEUQJ-UHFFFAOYSA-N 0 3 219.328 2.746 40 0 BFABHN CC(C)NCc1ccccc1OCC(F)F ZINC000037755467 167121055 /nfs/dbraw/zinc/12/10/55/167121055.db2.gz DIZDNGOGPRMYJF-UHFFFAOYSA-N 0 3 229.270 2.829 40 0 BFABHN CC1=C[C@@H](C)[C@H](C2N3CCN2CCC3)[C@@H](C)C1 ZINC000019325828 168125845 /nfs/dbraw/zinc/12/58/45/168125845.db2.gz HFPVWFVWBIWBRP-RDBSUJKOSA-N 0 3 234.387 2.572 40 0 BFABHN CC1CCN([C@H](CN)c2cccc(F)c2)CC1 ZINC000019255910 168188067 /nfs/dbraw/zinc/18/80/67/168188067.db2.gz SKWHWOWBDCPJGZ-CQSZACIVSA-N 0 3 236.334 2.557 40 0 BFABHN CCC(=O)C[C@@H]1CCC[C@@H](CC(=O)CC)N1C ZINC000001716559 168209546 /nfs/dbraw/zinc/20/95/46/168209546.db2.gz UKHHFOBGFNUOCK-RYUDHWBXSA-N 0 3 239.359 2.578 40 0 BFABHN CCN[C@@H](CC)c1cc(OC)ccc1OC ZINC000035541415 170144346 /nfs/dbraw/zinc/14/43/46/170144346.db2.gz YRQVQMORSRDOIT-LBPRGKRZSA-N 0 3 223.316 2.764 40 0 BFABHN CNCc1ccc(-c2c(F)cccc2F)o1 ZINC000036819165 173388002 /nfs/dbraw/zinc/38/80/02/173388002.db2.gz IZDQZGOUGVFDOZ-UHFFFAOYSA-N 0 3 223.222 2.944 40 0 BFABHN COCCNCc1cccn1-c1ccccc1C ZINC000223679540 174335380 /nfs/dbraw/zinc/33/53/80/174335380.db2.gz JKAANGVEUJKFDC-UHFFFAOYSA-N 0 3 244.338 2.522 40 0 BFABHN COc1cccc([C@H](C)NC[C@H]2CCCO2)c1 ZINC000019963619 175293545 /nfs/dbraw/zinc/29/35/45/175293545.db2.gz ZVGASTUZMKBKCJ-SMDDNHRTSA-N 0 3 235.327 2.525 40 0 BFABHN COc1ccccc1[C@H](C)NC[C@H]1CCCO1 ZINC000019963511 175352638 /nfs/dbraw/zinc/35/26/38/175352638.db2.gz JOWYGUNQOPNQSW-NWDGAFQWSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@@H]1CCCN(CCOc2cccc(C=O)c2)C1 ZINC000009261374 176097597 /nfs/dbraw/zinc/09/75/97/176097597.db2.gz PXOZTEYWXOHVGT-CYBMUJFWSA-N 0 3 247.338 2.610 40 0 BFABHN C[C@H]1CCCN(Cc2cccc(C=O)c2)C1 ZINC000095738628 177101990 /nfs/dbraw/zinc/10/19/90/177101990.db2.gz GPHCWOBTESBVSS-LBPRGKRZSA-N 0 3 217.312 2.731 40 0 BFABHN Cc1ccc(NC(=O)C2CCN(C)CC2)cc1C ZINC000074713318 592309049 /nfs/dbraw/zinc/30/90/49/592309049.db2.gz LHFQDAYSUCQIOD-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN Cc1[nH]c(=S)ccc1[C@@H]1CCCCN1C ZINC000072218394 259318024 /nfs/dbraw/zinc/31/80/24/259318024.db2.gz KFTFDPYVFMDQKE-NSHDSACASA-N 0 3 222.357 2.836 40 0 BFABHN CSc1ccc([C@@H](N)c2ccccc2)cn1 ZINC000072225094 259321758 /nfs/dbraw/zinc/32/17/58/259321758.db2.gz SBWFGOSLVRHKDT-ZDUSSCGKSA-N 0 3 230.336 2.852 40 0 BFABHN CCOc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225169 259321818 /nfs/dbraw/zinc/32/18/18/259321818.db2.gz HIWNOBXHFBJTAW-CQSZACIVSA-N 0 3 228.295 2.528 40 0 BFABHN CN(C)[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000019255032 342944446 /nfs/dbraw/zinc/94/44/46/342944446.db2.gz XGPRWFUASSGHKS-JTQLQIEISA-N 0 3 233.142 2.555 40 0 BFABHN CCCC[C@@H](CC)C1N(C)CCCN1C ZINC000019328485 342946011 /nfs/dbraw/zinc/94/60/11/342946011.db2.gz WPWCLYYNJKTGOQ-GFCCVEGCSA-N 0 3 212.381 2.796 40 0 BFABHN Cc1ccc(CNC[C@@H](O)c2ccccc2)cc1 ZINC000022074957 343039635 /nfs/dbraw/zinc/03/96/35/343039635.db2.gz HJGMPICSMODXFH-MRXNPFEDSA-N 0 3 241.334 2.818 40 0 BFABHN CCN1CC=C(c2nc3cc(C)ccc3[nH]2)CC1 ZINC000073636234 343357470 /nfs/dbraw/zinc/35/74/70/343357470.db2.gz CVGRNVLQGCCEHW-UHFFFAOYSA-N 0 3 241.338 2.980 40 0 BFABHN CCN1CC=C(c2nc3ccc(C)cc3[nH]2)CC1 ZINC000073636234 343357472 /nfs/dbraw/zinc/35/74/72/343357472.db2.gz CVGRNVLQGCCEHW-UHFFFAOYSA-N 0 3 241.338 2.980 40 0 BFABHN CCNCc1ccccc1OCC(F)(F)F ZINC000034658706 136322449 /nfs/dbraw/zinc/32/24/49/136322449.db2.gz OMPKAURCZKGSHO-UHFFFAOYSA-N 0 3 233.233 2.737 40 0 BFABHN Cc1ccc(CNC[C@H](O)c2ccccc2)cc1 ZINC000022074959 178612369 /nfs/dbraw/zinc/61/23/69/178612369.db2.gz HJGMPICSMODXFH-INIZCTEOSA-N 0 3 241.334 2.818 40 0 BFABHN CN(C)[C@H](CN)c1cccc(Cl)c1Cl ZINC000019472885 347019195 /nfs/dbraw/zinc/01/91/95/347019195.db2.gz OIRCTAUSZLSIFJ-SECBINFHSA-N 0 3 233.142 2.555 40 0 BFABHN Cc1nc([C@]2(C)CCCN(C)C2)c2sccn12 ZINC000585178935 344276223 /nfs/dbraw/zinc/27/62/23/344276223.db2.gz YZZMWJYCDIPNLB-CYBMUJFWSA-N 0 3 249.383 2.688 40 0 BFABHN Cc1cc(CN(C)C)cc(C(C)C)c1O ZINC000001737437 346470989 /nfs/dbraw/zinc/47/09/89/346470989.db2.gz KAHPTXTWPJADKO-UHFFFAOYSA-N 0 3 207.317 2.886 40 0 BFABHN CN(C)[C@@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424801 348425767 /nfs/dbraw/zinc/42/57/67/348425767.db2.gz SZYDCMVJDVIPMS-JTQLQIEISA-N 0 3 233.142 2.555 40 0 BFABHN Cc1nc([C@H]2CCN(C(C)C)C2)c2sccn12 ZINC000257287951 180057995 /nfs/dbraw/zinc/05/79/95/180057995.db2.gz PSESOMSGLPJHRU-NSHDSACASA-N 0 3 249.383 2.902 40 0 BFABHN CC(C)(C)OC(=O)CCNCc1cccs1 ZINC000047218988 188480262 /nfs/dbraw/zinc/48/02/62/188480262.db2.gz PYCDPIWRRGBUHS-UHFFFAOYSA-N 0 3 241.356 2.570 40 0 BFABHN Fc1ccccc1CCNCc1ccccn1 ZINC000019912828 181011510 /nfs/dbraw/zinc/01/15/10/181011510.db2.gz VXUHVVGDBMLDCI-UHFFFAOYSA-N 0 3 230.286 2.553 40 0 BFABHN Cn1ccc(CN2CCC[C@H]2c2cccnc2)c1 ZINC000335149166 354863539 /nfs/dbraw/zinc/86/35/39/354863539.db2.gz JABSYWFCDVTOCE-HNNXBMFYSA-N 0 3 241.338 2.757 40 0 BFABHN Cc1c[nH]c([C@H]2CCCN2C2CCCC2)n1 ZINC000205687303 368357887 /nfs/dbraw/zinc/35/78/87/368357887.db2.gz FRBSPAANGMERPJ-GFCCVEGCSA-N 0 3 219.332 2.798 40 0 BFABHN O[C@H](CNCc1ccsc1)c1ccccc1 ZINC000022076640 183224036 /nfs/dbraw/zinc/22/40/36/183224036.db2.gz IQAQEIUNTHOGDR-CYBMUJFWSA-N 0 3 233.336 2.571 40 0 BFABHN CCCN(CCC)Cc1ccc(C(=O)OC)o1 ZINC000024547941 169149585 /nfs/dbraw/zinc/14/95/85/169149585.db2.gz HDPBVKHDZNIKBC-UHFFFAOYSA-N 0 3 239.315 2.688 40 0 BFABHN c1cc2c3c(n4c2c(c1)CNCC4)CCCC3 ZINC000000009262 183373935 /nfs/dbraw/zinc/37/39/35/183373935.db2.gz OIGHTPDWPMLMGT-UHFFFAOYSA-N 0 3 226.323 2.623 40 0 in-vitro BFABHN c1cc([C@@H]2CCCN2C2CCCCC2)n[nH]1 ZINC000072348434 183361114 /nfs/dbraw/zinc/36/11/14/183361114.db2.gz ULNDKEKWOUVJLM-ZDUSSCGKSA-N 0 3 219.332 2.879 40 0 BFABHN CN(C)CC[C@H](O)c1ccc2ccccc2c1 ZINC000035327603 383852310 /nfs/dbraw/zinc/85/23/10/383852310.db2.gz MOCSVQOLWDFOND-HNNXBMFYSA-N 0 3 229.323 2.825 40 0 BFABHN Cc1cccc(C)c1NC(=O)C1CCN(C)CC1 ZINC000001995340 383944625 /nfs/dbraw/zinc/94/46/25/383944625.db2.gz OFPRDLIBYDNMHH-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN CC[C@H](c1ccccc1)N(C)C(=O)[C@@H](N)C(C)C ZINC000079418738 384144783 /nfs/dbraw/zinc/14/47/83/384144783.db2.gz OIELLIGGYXPQHX-KGLIPLIRSA-N 0 3 248.370 2.579 40 0 BFABHN CNc1cccc([C@H]2CCCN2C(C)C)n1 ZINC000072356976 384210308 /nfs/dbraw/zinc/21/03/08/384210308.db2.gz JXTJELHCFGEXMU-GFCCVEGCSA-N 0 3 219.332 2.669 40 0 BFABHN C[C@H](NCc1ccccc1)O[C@H]1CCCCO1 ZINC000075629617 384332755 /nfs/dbraw/zinc/33/27/55/384332755.db2.gz UBAVGIJCQUFVAA-OCCSQVGLSA-N 0 3 235.327 2.665 40 0 BFABHN CN1CCC[C@H]1c1cccnc1NC1CCC1 ZINC000072213884 385083849 /nfs/dbraw/zinc/08/38/49/385083849.db2.gz KKYLGXFWYHVLQD-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN CCN1CCCC[C@@H]1c1cc(C)ccn1 ZINC000072211201 385069056 /nfs/dbraw/zinc/06/90/56/385069056.db2.gz WWLASKOHCPXRIO-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CCOc1ccc([C@@H]2CCCN2CC)cn1 ZINC000072211771 385071304 /nfs/dbraw/zinc/07/13/04/385071304.db2.gz ZJVQSDPCQGCETH-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CCCN1CCC[C@@H]1c1cccnc1OC ZINC000072211722 385072585 /nfs/dbraw/zinc/07/25/85/385072585.db2.gz AGVAVZBTHHYFTQ-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CNc1ncccc1[C@@H]1CCCN1C(C)C ZINC000072212536 385074439 /nfs/dbraw/zinc/07/44/39/385074439.db2.gz LGOHFEFREHQSCM-LBPRGKRZSA-N 0 3 219.332 2.669 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(NC)nc1 ZINC000072212492 385076966 /nfs/dbraw/zinc/07/69/66/385076966.db2.gz UMLLPUJWWCNBES-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CCSc1ncc(CNC2CCCC2)cn1 ZINC000062717286 385034174 /nfs/dbraw/zinc/03/41/74/385034174.db2.gz FZZAIJUXISMWOV-UHFFFAOYSA-N 0 3 237.372 2.621 40 0 BFABHN CCOc1ccc([C@H](N)c2ccccc2)c(C)n1 ZINC000072224181 385115792 /nfs/dbraw/zinc/11/57/92/385115792.db2.gz RHOYCOJQJNGKBW-OAHLLOKOSA-N 0 3 242.322 2.837 40 0 BFABHN CCN1CCC[C@H]1c1cnc(OC)cc1C ZINC000072218008 385093930 /nfs/dbraw/zinc/09/39/30/385093930.db2.gz ABFPSNKUMMSLSW-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN Cc1nc(N2CCCC2)ccc1[C@H]1CCCN1C ZINC000072218906 385103314 /nfs/dbraw/zinc/10/33/14/385103314.db2.gz DSKBNCOHDBSCOK-CQSZACIVSA-N 0 3 245.370 2.757 40 0 BFABHN Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C ZINC000072218695 385103338 /nfs/dbraw/zinc/10/33/38/385103338.db2.gz DQEMMSZSOUZWSW-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218996 385103982 /nfs/dbraw/zinc/10/39/82/385103982.db2.gz XKDZOOQNKZJHEH-CYBMUJFWSA-N 0 3 233.359 2.979 40 0 BFABHN CCCc1sc(CN)cc1Br ZINC000085392807 385159799 /nfs/dbraw/zinc/15/97/99/385159799.db2.gz QFJFVBZIMSMTMB-UHFFFAOYSA-N 0 3 234.162 2.922 40 0 BFABHN Cc1ccc(Cl)cc1-n1cccc1CN ZINC000223686546 386094929 /nfs/dbraw/zinc/09/49/29/386094929.db2.gz NIAFABZABVQGNO-UHFFFAOYSA-N 0 3 220.703 2.898 40 0 BFABHN CCCCN(C)Cc1ccc(C=O)cc1 ZINC000095739695 387004400 /nfs/dbraw/zinc/00/44/00/387004400.db2.gz FEVTUAOGRHYBEB-UHFFFAOYSA-N 0 3 205.301 2.731 40 0 BFABHN CCCCCCNCc1ccnn1CCC ZINC000164827856 387852906 /nfs/dbraw/zinc/85/29/06/387852906.db2.gz ADYHCUBVBVCMNP-UHFFFAOYSA-N 0 3 223.364 2.963 40 0 BFABHN CC(C)CCNCc1cc(C(F)(F)F)nn1C ZINC000256050414 387858765 /nfs/dbraw/zinc/85/87/65/387858765.db2.gz DYJJLKCZEYIFFQ-UHFFFAOYSA-N 0 3 249.280 2.575 40 0 BFABHN CCCCCNCc1ccnn1CC(F)(F)F ZINC000256051506 387859387 /nfs/dbraw/zinc/85/93/87/387859387.db2.gz JKMZHSFFALKGBI-UHFFFAOYSA-N 0 3 249.280 2.725 40 0 BFABHN CCC[C@H](NC)C(=O)c1ccc(C)cc1 ZINC000299817078 388618546 /nfs/dbraw/zinc/61/85/46/388618546.db2.gz AKVKBEDACKJNPO-LBPRGKRZSA-N 0 3 205.301 2.566 40 0 in-vitro BFABHN CCOc1cc(C)nc2cc(N)ccc21 ZINC000095534949 388780237 /nfs/dbraw/zinc/78/02/37/388780237.db2.gz HAWGXAQMXDRPGI-UHFFFAOYSA-N 0 3 202.257 2.524 40 0 BFABHN CC(=O)c1ccc(CNC2CC2)c(Cl)c1 ZINC000169800784 397815641 /nfs/dbraw/zinc/81/56/41/397815641.db2.gz LCVTTZAJQGCCGH-UHFFFAOYSA-N 0 3 223.703 2.795 40 0 BFABHN CCCCCCNCc1ccn(CC)n1 ZINC000256050065 398040789 /nfs/dbraw/zinc/04/07/89/398040789.db2.gz CMOLZBUZGPPYFG-UHFFFAOYSA-N 0 3 209.337 2.573 40 0 BFABHN CC(C)NCc1ccccc1OC(C)C ZINC000032011861 167121351 /nfs/dbraw/zinc/12/13/51/167121351.db2.gz ZFEOYOLYJUMBPE-UHFFFAOYSA-N 0 3 207.317 2.972 40 0 BFABHN CCN1[C@@H](C)Cc2[nH]ccc2[C@@H]1C(C)C ZINC000223711949 170041615 /nfs/dbraw/zinc/04/16/15/170041615.db2.gz WRQVWPDZJOZRFL-GWCFXTLKSA-N 0 3 206.333 2.978 40 0 BFABHN CCN[C@H](CC)c1ccc(OC)cc1OC ZINC000035546007 170161861 /nfs/dbraw/zinc/16/18/61/170161861.db2.gz DJFYWLOYHFPNJQ-GFCCVEGCSA-N 0 3 223.316 2.764 40 0 BFABHN CN1CCC[C@H]1c1ccnc(-c2ccccc2)n1 ZINC000072376465 173060438 /nfs/dbraw/zinc/06/04/38/173060438.db2.gz UGRBIULZBMCBGW-AWEZNQCLSA-N 0 3 239.322 2.910 40 0 BFABHN CNC[C@H](OC(C)C)c1c(F)cccc1F ZINC000062711701 173377575 /nfs/dbraw/zinc/37/75/75/173377575.db2.gz KYPKZPDFSUNAJJ-NSHDSACASA-N 0 3 229.270 2.650 40 0 BFABHN CNCc1ccccc1OC1CCCC1 ZINC000034658485 173390511 /nfs/dbraw/zinc/39/05/11/173390511.db2.gz GWTFRDFFMQLXTD-UHFFFAOYSA-N 0 3 205.301 2.727 40 0 BFABHN COCCNCc1cccn1-c1ccc(C)cc1 ZINC000113704000 174336220 /nfs/dbraw/zinc/33/62/20/174336220.db2.gz BFKIIADAEHLAHU-UHFFFAOYSA-N 0 3 244.338 2.522 40 0 BFABHN COCCNCc1cccn1-c1cccc(C)c1 ZINC000223679953 174336462 /nfs/dbraw/zinc/33/64/62/174336462.db2.gz MODRQDYYFKWIOM-UHFFFAOYSA-N 0 3 244.338 2.522 40 0 BFABHN C[C@@H]1CC(C)(C)NC2=NC(C)(C)CC[C@@H]21 ZINC000057990125 176052835 /nfs/dbraw/zinc/05/28/35/176052835.db2.gz UIZGCTCJFKGHAI-NXEZZACHSA-N 0 3 208.349 2.982 40 0 BFABHN C[C@@H]1CCCCN1CCOc1cccc(C=O)c1 ZINC000009261369 176072333 /nfs/dbraw/zinc/07/23/33/176072333.db2.gz RBAGCJNEWBKCOX-CYBMUJFWSA-N 0 3 247.338 2.752 40 0 BFABHN C[C@@H]1CCCCN1Cc1cccc(O)c1 ZINC000062183927 176073361 /nfs/dbraw/zinc/07/33/61/176073361.db2.gz KHMPYRXDRBTNHP-LLVKDONJSA-N 0 3 205.301 2.767 40 0 BFABHN C[C@@H]1CCCN(Cc2ccc(C=O)cc2)C1 ZINC000095738624 176100417 /nfs/dbraw/zinc/10/04/17/176100417.db2.gz SNIOBGRBIBSYSZ-GFCCVEGCSA-N 0 3 217.312 2.731 40 0 BFABHN C[C@H](NCc1ccsc1)[C@H](O)c1ccccc1 ZINC000022076637 176880391 /nfs/dbraw/zinc/88/03/91/176880391.db2.gz ATELECFPJVUZCB-FZMZJTMJSA-N 0 3 247.363 2.960 40 0 BFABHN C[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 ZINC000096062525 177352589 /nfs/dbraw/zinc/35/25/89/177352589.db2.gz YJSUDKPLPWIBKV-GMXVVIOVSA-N 0 3 237.368 2.747 40 0 BFABHN CCCOc1ccc(CNC[C@H]2CCCO2)cc1 ZINC000020092404 520370244 /nfs/dbraw/zinc/37/02/44/520370244.db2.gz ATWHSTHTECUFBL-OAHLLOKOSA-N 0 3 249.354 2.744 40 0 BFABHN NC1C2(CCCCC2)OC12CCCCC2 ZINC000225751350 527138009 /nfs/dbraw/zinc/13/80/09/527138009.db2.gz OAQXNIZQQDGKBF-UHFFFAOYSA-N 0 3 209.333 2.750 40 0 BFABHN CCOC(=O)C[C@H](NC)c1ccccc1Cl ZINC000072210272 259316561 /nfs/dbraw/zinc/31/65/61/259316561.db2.gz UQWVEKCCDHWNFL-NSHDSACASA-N 0 3 241.718 2.554 40 0 BFABHN COc1cc(CNCc2ccccc2)ccc1O ZINC000001714971 342710976 /nfs/dbraw/zinc/71/09/76/342710976.db2.gz KXXBEKGUFGRVPY-UHFFFAOYSA-N 0 3 243.306 2.691 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(N)nc1C ZINC000072218576 259318215 /nfs/dbraw/zinc/31/82/15/259318215.db2.gz JWFCXPDYZNTVNG-GFCCVEGCSA-N 0 3 219.332 2.519 40 0 BFABHN Cc1cc(CN)cnc1SC(C)(C)C ZINC000072222814 259320730 /nfs/dbraw/zinc/32/07/30/259320730.db2.gz MPMVRKXHIYSEIJ-UHFFFAOYSA-N 0 3 210.346 2.739 40 0 BFABHN CCOc1cc(C)c([C@H](N)c2ccccc2)cn1 ZINC000072223137 259320662 /nfs/dbraw/zinc/32/06/62/259320662.db2.gz GWXKUHQCXBWTCA-OAHLLOKOSA-N 0 3 242.322 2.837 40 0 BFABHN Cc1cc(=S)[nH]cc1[C@H](N)c1ccccc1 ZINC000072223793 259321515 /nfs/dbraw/zinc/32/15/15/259321515.db2.gz SJWPBXWKRJQQEX-CYBMUJFWSA-N 0 3 230.336 2.727 40 0 BFABHN CC1(C)C[C@@H](N)c2ccc(Cl)cc2O1 ZINC000036720538 343322906 /nfs/dbraw/zinc/32/29/06/343322906.db2.gz JGGLVHFQDFNMNK-SECBINFHSA-N 0 3 211.692 2.901 40 0 BFABHN Cc1cccc(NC(=O)C2CCN(C)CC2)c1C ZINC000074713323 179126797 /nfs/dbraw/zinc/12/67/97/179126797.db2.gz IIPXVWMORNHACI-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN CC(C)N1CCC(c2cncc(Cl)n2)CC1 ZINC000205672976 348571309 /nfs/dbraw/zinc/57/13/09/348571309.db2.gz BTZOLWROCMFGRN-UHFFFAOYSA-N 0 3 239.750 2.718 40 0 BFABHN CC(C)(C)c1ccccc1NC(=O)CNC1CC1 ZINC000037390184 259427528 /nfs/dbraw/zinc/42/75/28/259427528.db2.gz IABRXODCYWUUSJ-UHFFFAOYSA-N 0 3 246.354 2.675 40 0 BFABHN CC1=CO[C@](C)([C@@H]2NC(C)(C)C[C@H](C)O2)CC1 ZINC000004705824 188102394 /nfs/dbraw/zinc/10/23/94/188102394.db2.gz VRXXEZCAJXPBHD-SCRDCRAPSA-N 0 3 239.359 2.962 40 0 BFABHN Cc1cnc([C@@H](C)N2CCCC3(CC3)C2)cn1 ZINC000335893388 355687620 /nfs/dbraw/zinc/68/76/20/355687620.db2.gz LLCPBWYUGQUZSF-GFCCVEGCSA-N 0 3 231.343 2.722 40 0 BFABHN CN1CC=C(c2ccc3cc[nH]c3c2)CC1 ZINC000002526976 369048400 /nfs/dbraw/zinc/04/84/00/369048400.db2.gz FBFHQWFOTVCYJQ-UHFFFAOYSA-N 0 3 212.296 2.887 40 0 BFABHN CN(C)[C@@H](CN)c1ccc(Cl)c(Cl)c1 ZINC000019861954 371194089 /nfs/dbraw/zinc/19/40/89/371194089.db2.gz WSDUPQJQYOYFPN-JTQLQIEISA-N 0 3 233.142 2.555 40 0 BFABHN CCCCn1ccc([C@@H](C)NCCOC)c1 ZINC000078406149 169037207 /nfs/dbraw/zinc/03/72/07/169037207.db2.gz IBOCISOOAOIQCE-GFCCVEGCSA-N 0 3 224.348 2.585 40 0 BFABHN O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)NCC2 ZINC000008553089 183217952 /nfs/dbraw/zinc/21/79/52/183217952.db2.gz DQJVTBCKCFMOEZ-QLFBSQMISA-N 0 3 249.329 2.781 40 0 BFABHN [O-]c1ccc2c(c1)CC[N+]1=C2CC[C@@H]2CCC[C@@H]21 ZINC000001718903 183280582 /nfs/dbraw/zinc/28/05/82/183280582.db2.gz AFZUMYMXNCDSQR-NHYWBVRUSA-O 0 3 242.342 2.712 40 0 in-man BFABHN CCCNCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000001671700 169255513 /nfs/dbraw/zinc/25/55/13/169255513.db2.gz QMVYRSDFVPCGKJ-UHFFFAOYSA-N 0 3 240.734 2.587 40 0 BFABHN CN(C)C[C@H](O)c1ccc2c3c(cccc31)CC2 ZINC000001730924 383931032 /nfs/dbraw/zinc/93/10/32/383931032.db2.gz RSCBPVHDUDQYCP-HNNXBMFYSA-N 0 3 241.334 2.533 40 0 BFABHN CC(C)N1CCC(O)(c2cccc(F)c2)CC1 ZINC000037717039 383999953 /nfs/dbraw/zinc/99/99/53/383999953.db2.gz CNTLPCAUZJHNOA-UHFFFAOYSA-N 0 3 237.318 2.518 40 0 BFABHN CN(C)C[C@@H](O)c1ccc2c3c(cccc31)CC2 ZINC000002035887 383947574 /nfs/dbraw/zinc/94/75/74/383947574.db2.gz RSCBPVHDUDQYCP-OAHLLOKOSA-N 0 3 241.334 2.533 40 0 BFABHN CC1=CO[C@](C)([C@H]2NC(C)(C)C[C@@H](C)O2)CC1 ZINC000004705821 384078471 /nfs/dbraw/zinc/07/84/71/384078471.db2.gz VRXXEZCAJXPBHD-DYEKYZERSA-N 0 3 239.359 2.962 40 0 BFABHN NC[C@@H](c1ccccc1Cl)N1CCCCC1 ZINC000038827590 384094682 /nfs/dbraw/zinc/09/46/82/384094682.db2.gz JXPVNRYDOXUXGA-ZDUSSCGKSA-N 0 3 238.762 2.826 40 0 BFABHN COc1ccc([N+](=O)Nc2ccc([O-])cc2)cc1 ZINC000409415831 384272357 /nfs/dbraw/zinc/27/23/57/384272357.db2.gz ZJWJLPQZEJCNBN-UHFFFAOYSA-O 0 3 245.258 2.838 40 0 BFABHN NCc1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000082550304 384313940 /nfs/dbraw/zinc/31/39/40/384313940.db2.gz ZECLHFIAYLJFBA-UHFFFAOYSA-N 0 3 242.109 2.638 40 0 BFABHN CCCCCCNCc1ccnn1CC ZINC000096033637 384423820 /nfs/dbraw/zinc/42/38/20/384423820.db2.gz CXBMCAACKZNNGQ-UHFFFAOYSA-N 0 3 209.337 2.573 40 0 BFABHN CCOP(=O)(OCC)[C@@H](N)[C@@H](C)CC ZINC000001707657 384449111 /nfs/dbraw/zinc/44/91/11/384449111.db2.gz WLXZADYPHWHTPD-DTWKUNHWSA-N 0 3 223.253 2.583 40 0 BFABHN CC1=CO[C@](C)([C@H]2N[C@H](C)CC(C)(C)N2)CC1 ZINC000019325717 384515750 /nfs/dbraw/zinc/51/57/50/384515750.db2.gz OCRUJCNPOFTYIS-DYEKYZERSA-N 0 3 238.375 2.535 40 0 BFABHN CCOc1ccc([C@H]2CCCN2CC)cn1 ZINC000072211770 385071283 /nfs/dbraw/zinc/07/12/83/385071283.db2.gz ZJVQSDPCQGCETH-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CCN(C)c1ncccc1[C@H]1CCCN1CC ZINC000072212767 385079326 /nfs/dbraw/zinc/07/93/26/385079326.db2.gz JLIIXLBLWBXILE-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212655 385079832 /nfs/dbraw/zinc/07/98/32/385079832.db2.gz FPVHFPRYXJCOLR-CYBMUJFWSA-N 0 3 233.359 2.693 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(OC)nc1C ZINC000072218092 385089466 /nfs/dbraw/zinc/08/94/66/385089466.db2.gz JKVSSEBBQSEGFY-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN CN1CCC[C@H]1c1cccnc1N1CCCCC1 ZINC000072216088 385094342 /nfs/dbraw/zinc/09/43/42/385094342.db2.gz YNVUNOWMIKXFEY-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN Cc1cc([C@@H]2CCCN2C)cnc1N1CCCC1 ZINC000072218785 385103533 /nfs/dbraw/zinc/10/35/33/385103533.db2.gz KXRRPSPZBMAQFC-AWEZNQCLSA-N 0 3 245.370 2.757 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(NC)cc1C ZINC000072219031 385103757 /nfs/dbraw/zinc/10/37/57/385103757.db2.gz LVICLNFOHBLGRX-GFCCVEGCSA-N 0 3 219.332 2.589 40 0 BFABHN Cc1occc1CNCCc1ccccc1 ZINC000085396068 385160766 /nfs/dbraw/zinc/16/07/66/385160766.db2.gz HZTBIKZAYYWZRI-UHFFFAOYSA-N 0 3 215.296 2.920 40 0 BFABHN CCO[C@H](CN)c1cccc2ccccc21 ZINC000062711932 385691466 /nfs/dbraw/zinc/69/14/66/385691466.db2.gz CNYQMLCILVJSOT-CQSZACIVSA-N 0 3 215.296 2.876 40 0 BFABHN CC(=O)CC1CCN(Cc2ccccc2)CC1 ZINC000044137297 386282415 /nfs/dbraw/zinc/28/24/15/386282415.db2.gz KPGKLICEYBMSSY-UHFFFAOYSA-N 0 3 231.339 2.878 40 0 BFABHN C[C@@H]1NCc2cc(Br)ccc21 ZINC000044563642 386861735 /nfs/dbraw/zinc/86/17/35/386861735.db2.gz KTUCROBKAQWWPX-LURJTMIESA-N 0 3 212.090 2.613 40 0 BFABHN CN[C@@H]1CCc2c1cnn2C1CCCCC1 ZINC000095098083 386984187 /nfs/dbraw/zinc/98/41/87/386984187.db2.gz XCZSRSHBKRRDFO-GFCCVEGCSA-N 0 3 219.332 2.595 40 0 BFABHN CC(C)C[C@@H](N)c1nc2cccnc2n1C1CC1 ZINC000088872132 386993240 /nfs/dbraw/zinc/99/32/40/386993240.db2.gz BTYGSVFJZFGJQD-LLVKDONJSA-N 0 3 244.342 2.812 40 0 BFABHN CCCCCNCc1ccn(CC(C)C)n1 ZINC000256052863 387860447 /nfs/dbraw/zinc/86/04/47/387860447.db2.gz OZANXUMGGDMGEA-UHFFFAOYSA-N 0 3 223.364 2.819 40 0 BFABHN CCCCNCc1ccnn1[C@@H](C)CC ZINC000256052895 387861044 /nfs/dbraw/zinc/86/10/44/387861044.db2.gz PCCULJRXSMPQPT-NSHDSACASA-N 0 3 209.337 2.744 40 0 BFABHN CCOc1cccc([C@@H](C)NC[C@@H]2CCCO2)c1 ZINC000153097097 397739688 /nfs/dbraw/zinc/73/96/88/397739688.db2.gz AUPIDJVKGWCGIF-DOMZBBRYSA-N 0 3 249.354 2.915 40 0 BFABHN Clc1ccc(-c2nnc([C@H]3CCCN3)o2)cc1 ZINC000032104943 411215360 /nfs/dbraw/zinc/21/53/60/411215360.db2.gz XKBGKNVCDAQHDY-SNVBAGLBSA-N 0 3 249.701 2.815 40 0 BFABHN CC1CCN([C@H](CN)c2ccccc2F)CC1 ZINC000038916562 168188086 /nfs/dbraw/zinc/18/80/86/168188086.db2.gz LWGHCPPOLRADMS-CQSZACIVSA-N 0 3 236.334 2.557 40 0 BFABHN CCN[C@@H](C)C(=O)c1cccc(Cl)c1 ZINC000169332711 170139382 /nfs/dbraw/zinc/13/93/82/170139382.db2.gz ZMJIUWPWADQNLC-QMMMGPOBSA-N 0 3 211.692 2.521 40 0 in-vitro BFABHN CCOCCCNCc1ccccc1OCC ZINC000006536914 170381914 /nfs/dbraw/zinc/38/19/14/170381914.db2.gz GRDGDBJHUZRFHO-UHFFFAOYSA-N 0 3 237.343 2.602 40 0 BFABHN CC[C@H](C)Oc1ccc(CNCCOC)cc1 ZINC000062729043 171356291 /nfs/dbraw/zinc/35/62/91/171356291.db2.gz DCLVRCSYRLDRAS-LBPRGKRZSA-N 0 3 237.343 2.600 40 0 BFABHN CN1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035442906 173158182 /nfs/dbraw/zinc/15/81/82/173158182.db2.gz GIOMYCDRMIWRKH-QMMMGPOBSA-N 0 3 236.702 2.900 40 0 biogenic,in-vitro BFABHN COCCNCc1ccc(OC2CCCC2)cc1 ZINC000032104776 174335339 /nfs/dbraw/zinc/33/53/39/174335339.db2.gz FKMQKYWLIANNIG-UHFFFAOYSA-N 0 3 249.354 2.744 40 0 BFABHN COc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963605 175187942 /nfs/dbraw/zinc/18/79/42/175187942.db2.gz NICCLSBWWUDBHY-FZMZJTMJSA-N 0 3 235.327 2.525 40 0 BFABHN COc1cccc([C@H](C)NC[C@@H]2CCCO2)c1 ZINC000019963617 175293134 /nfs/dbraw/zinc/29/31/34/175293134.db2.gz ZVGASTUZMKBKCJ-FZMZJTMJSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@@H]1CCCN(Cc2cccc(O)c2)C1 ZINC000039619531 176102513 /nfs/dbraw/zinc/10/25/13/176102513.db2.gz QVDQDDRCNWEBIU-LLVKDONJSA-N 0 3 205.301 2.624 40 0 BFABHN CCn1cc(Cc2ccc(Cl)cc2)nc1N ZINC000199550237 523397515 /nfs/dbraw/zinc/39/75/15/523397515.db2.gz NHQSVTKZJJNMOJ-UHFFFAOYSA-N 0 3 235.718 2.729 40 0 BFABHN CCn1cc(Cc2cccc(Cl)c2)nc1N ZINC000199550143 523398315 /nfs/dbraw/zinc/39/83/15/523398315.db2.gz QUNNSNBLJYACEU-UHFFFAOYSA-N 0 3 235.718 2.729 40 0 BFABHN CCN1CCCC[C@H]1c1ccnc(C)c1 ZINC000072219474 259318692 /nfs/dbraw/zinc/31/86/92/259318692.db2.gz GJXQJUNIERFIQC-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N ZINC000072218460 259318316 /nfs/dbraw/zinc/31/83/16/259318316.db2.gz HXEGXQNCRROQMK-ZDUSSCGKSA-N 0 3 233.359 2.908 40 0 BFABHN CCCCCNCc1cccc(OC)c1OC ZINC000007261341 342790293 /nfs/dbraw/zinc/79/02/93/342790293.db2.gz BFFMBZNHCNLOHZ-UHFFFAOYSA-N 0 3 237.343 2.984 40 0 BFABHN CCOc1cc(C)c([C@@H](N)c2ccccc2)cn1 ZINC000072223138 259320761 /nfs/dbraw/zinc/32/07/61/259320761.db2.gz GWXKUHQCXBWTCA-HNNXBMFYSA-N 0 3 242.322 2.837 40 0 BFABHN CC(C)CC[C@@H]1CNCC2(CCCC2)O1 ZINC000242495720 398317826 /nfs/dbraw/zinc/31/78/26/398317826.db2.gz GNVYLRAJQJKVQI-GFCCVEGCSA-N 0 3 211.349 2.724 40 0 BFABHN CCOc1ccc([C@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963693 342965061 /nfs/dbraw/zinc/96/50/61/342965061.db2.gz GWZHNODLZKJLGW-WFASDCNBSA-N 0 3 249.354 2.915 40 0 BFABHN CN(Cn1nnc2ccccc21)C1CCCCC1 ZINC000003159441 347536997 /nfs/dbraw/zinc/53/69/97/347536997.db2.gz DYYDYJVYNMNHKD-UHFFFAOYSA-N 0 3 244.342 2.653 40 0 BFABHN CCCOc1ccc(OC)cc1CNC1CC1 ZINC000034656211 259411640 /nfs/dbraw/zinc/41/16/40/259411640.db2.gz CWBDPKVZOCWOIG-UHFFFAOYSA-N 0 3 235.327 2.736 40 0 BFABHN Clc1cccc(-c2nnc([C@@H]3CCCN3)o2)c1 ZINC000032104934 180589619 /nfs/dbraw/zinc/58/96/19/180589619.db2.gz WBFHNTINJPAVQY-JTQLQIEISA-N 0 3 249.701 2.815 40 0 BFABHN CC(C)[C@@H](N)c1nc2cnccc2n1C(C)C ZINC000088865768 188144119 /nfs/dbraw/zinc/14/41/19/188144119.db2.gz ZYDCDYOBXDDARL-GFCCVEGCSA-N 0 3 232.331 2.668 40 0 BFABHN N[C@@H]1CCCOc2c(Br)cccc21 ZINC000036926613 359692612 /nfs/dbraw/zinc/69/26/12/359692612.db2.gz BNPKOFKQHFBFJD-SECBINFHSA-N 0 3 242.116 2.622 40 0 BFABHN O[C@H]1CC[C@H](NCc2ccccc2Cl)CC1 ZINC000100173854 183201908 /nfs/dbraw/zinc/20/19/08/183201908.db2.gz GZQQYJGHLTXHSH-TXEJJXNPSA-N 0 3 239.746 2.733 40 0 BFABHN CCCN1CCc2[nH]ccc2[C@@H]1C(C)C ZINC000223710690 169208570 /nfs/dbraw/zinc/20/85/70/169208570.db2.gz JSHQBIDFDDFINF-ZDUSSCGKSA-N 0 3 206.333 2.980 40 0 BFABHN CCCOc1c(CNC)ccc(C)c1C ZINC000095094909 169313711 /nfs/dbraw/zinc/31/37/11/169313711.db2.gz DJBDCVRUIPZEET-UHFFFAOYSA-N 0 3 207.317 2.812 40 0 BFABHN CCC[C@@H](NC)C(=O)c1ccc(C)cc1 ZINC000299817077 169399441 /nfs/dbraw/zinc/39/94/41/169399441.db2.gz AKVKBEDACKJNPO-GFCCVEGCSA-N 0 3 205.301 2.566 40 0 in-vitro BFABHN CCN(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000049754185 383825047 /nfs/dbraw/zinc/82/50/47/383825047.db2.gz PPPGFMBEWNWVSI-UHFFFAOYSA-N 0 3 248.153 2.808 40 0 BFABHN CCN(CC)CC(=N)N(CC)c1ccccc1 ZINC000001625184 383915584 /nfs/dbraw/zinc/91/55/84/383915584.db2.gz LJFGHUIRQVPCAJ-UHFFFAOYSA-N 0 3 233.359 2.832 40 0 BFABHN CCN(CC)CCOC(=O)CC1CCCCC1 ZINC000001733977 383932791 /nfs/dbraw/zinc/93/27/91/383932791.db2.gz LLMPZKFDXMVUBR-UHFFFAOYSA-N 0 3 241.375 2.842 40 0 BFABHN CCNCc1cc(OC)ccc1OC(C)C ZINC000034655955 383981571 /nfs/dbraw/zinc/98/15/71/383981571.db2.gz MSTKVCSFFIFHHI-UHFFFAOYSA-N 0 3 223.316 2.592 40 0 BFABHN CCc1ccc2[nH]c(SCCN(C)C)nc2c1 ZINC000005985263 384139765 /nfs/dbraw/zinc/13/97/65/384139765.db2.gz QFFYPGLNDWBJJY-UHFFFAOYSA-N 0 3 249.383 2.779 40 0 BFABHN CCc1ccc2nc(SCCN(C)C)[nH]c2c1 ZINC000005985263 384139768 /nfs/dbraw/zinc/13/97/68/384139768.db2.gz QFFYPGLNDWBJJY-UHFFFAOYSA-N 0 3 249.383 2.779 40 0 BFABHN Cc1ccnc(C2CN(CC3CCCCC3)C2)n1 ZINC000072381794 384217165 /nfs/dbraw/zinc/21/71/65/384217165.db2.gz GGSULBCDWHJBGH-UHFFFAOYSA-N 0 3 245.370 2.765 40 0 BFABHN C[C@@H](NCc1ccccc1)O[C@@H]1CCCCO1 ZINC000075629614 384332745 /nfs/dbraw/zinc/33/27/45/384332745.db2.gz UBAVGIJCQUFVAA-GXTWGEPZSA-N 0 3 235.327 2.665 40 0 BFABHN FC1(F)CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 ZINC000096054645 384429030 /nfs/dbraw/zinc/42/90/30/384429030.db2.gz GTJGZYQUMUYSPA-NEPJUHHUSA-N 0 3 238.281 2.559 40 0 BFABHN CC[C@@H](C)NCc1cc(OC)ccc1OC ZINC000019882755 384549516 /nfs/dbraw/zinc/54/95/16/384549516.db2.gz UPQYKMWEBHXEMT-SNVBAGLBSA-N 0 3 223.316 2.592 40 0 BFABHN C[C@@H](NC(C)(C)C)C(=O)c1ccc(F)cc1 ZINC000022059414 384727103 /nfs/dbraw/zinc/72/71/03/384727103.db2.gz YTBHJXDTSQSFCF-SECBINFHSA-N 0 3 223.291 2.785 40 0 in-vitro BFABHN COc1ncccc1[C@H]1CCCN1C(C)C ZINC000072211720 385071841 /nfs/dbraw/zinc/07/18/41/385071841.db2.gz ALQWFKHEULFBFN-GFCCVEGCSA-N 0 3 220.316 2.636 40 0 BFABHN CC(C)Oc1ccc([C@@H]2CCCN2C)cn1 ZINC000072211884 385074461 /nfs/dbraw/zinc/07/44/61/385074461.db2.gz PCUFORPUSGQGKU-LBPRGKRZSA-N 0 3 220.316 2.636 40 0 BFABHN CC(C)Oc1ncccc1[C@H]1CCCCN1 ZINC000072211972 385075785 /nfs/dbraw/zinc/07/57/85/385075785.db2.gz XBGSWSSTABEIGB-GFCCVEGCSA-N 0 3 220.316 2.683 40 0 BFABHN CCN1CCCC[C@@H]1c1cccnc1N(C)C ZINC000072212672 385079735 /nfs/dbraw/zinc/07/97/35/385079735.db2.gz QDXDJBTXLRJNTF-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CC(C)N1CCC[C@H]1c1cccnc1N(C)C ZINC000072212656 385079972 /nfs/dbraw/zinc/07/99/72/385079972.db2.gz FPVHFPRYXJCOLR-ZDUSSCGKSA-N 0 3 233.359 2.693 40 0 BFABHN CNCc1cnc(OCc2ccccc2)c(C)c1 ZINC000072222396 385110945 /nfs/dbraw/zinc/11/09/45/385110945.db2.gz XNGZYVTYKOPXEE-UHFFFAOYSA-N 0 3 242.322 2.688 40 0 BFABHN CCCN1CCC[C@@H]1c1cnc(OC)c(C)c1 ZINC000072217722 385090490 /nfs/dbraw/zinc/09/04/90/385090490.db2.gz DUHWBEWYIXQRNT-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN CN1CCCC[C@H]1c1ccc(=S)[nH]c1 ZINC000072217016 385096567 /nfs/dbraw/zinc/09/65/67/385096567.db2.gz ZXENXLROHJDFGG-JTQLQIEISA-N 0 3 208.330 2.527 40 0 BFABHN CCN1CCC[C@H]1c1cccnc1SC ZINC000072216933 385098001 /nfs/dbraw/zinc/09/80/01/385098001.db2.gz BVNQPNPGSFHYFG-NSHDSACASA-N 0 3 222.357 2.960 40 0 BFABHN Cc1cc([C@H]2CCCN2C)cnc1N1CCCC1 ZINC000072218786 385103270 /nfs/dbraw/zinc/10/32/70/385103270.db2.gz KXRRPSPZBMAQFC-CQSZACIVSA-N 0 3 245.370 2.757 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(N(C)C)cc1C ZINC000072218671 385104175 /nfs/dbraw/zinc/10/41/75/385104175.db2.gz WQXKKEQCJANMHW-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN CCN1CCC[C@@H]1c1c(OC)cccc1OC ZINC000072221411 385107137 /nfs/dbraw/zinc/10/71/37/385107137.db2.gz UARXGYOEDCVSRL-LLVKDONJSA-N 0 3 235.327 2.861 40 0 BFABHN CC[C@@H](C)Oc1ccc(CNCCOC)cc1 ZINC000062729042 385183219 /nfs/dbraw/zinc/18/32/19/385183219.db2.gz DCLVRCSYRLDRAS-GFCCVEGCSA-N 0 3 237.343 2.600 40 0 BFABHN CCCc1nc2c(s1)[C@@H](CC)NCC2 ZINC000218332214 386109869 /nfs/dbraw/zinc/10/98/69/386109869.db2.gz LUIKPAYRWKBVSR-MRVPVSSYSA-N 0 3 210.346 2.692 40 0 BFABHN CCCc1nc2c(s1)[C@@H](C(C)C)NCC2 ZINC000218332467 386114457 /nfs/dbraw/zinc/11/44/57/386114457.db2.gz UYMQHAUHTXIDQQ-LLVKDONJSA-N 0 3 224.373 2.938 40 0 BFABHN CC(C)n1ccc(CNCCc2ccccc2)n1 ZINC000085160904 387854550 /nfs/dbraw/zinc/85/45/50/387854550.db2.gz IUFDEEOPDYLPLB-UHFFFAOYSA-N 0 3 243.354 2.796 40 0 BFABHN CCCCCNCc1ccn(CCC)n1 ZINC000256051576 387858383 /nfs/dbraw/zinc/85/83/83/387858383.db2.gz JSOFXUNYOAJNBV-UHFFFAOYSA-N 0 3 209.337 2.573 40 0 BFABHN CCCCCNCc1ccn(CC(F)(F)F)n1 ZINC000256050233 387858861 /nfs/dbraw/zinc/85/88/61/387858861.db2.gz DGMXKCRIZAOBRN-UHFFFAOYSA-N 0 3 249.280 2.725 40 0 BFABHN COc1cc2c(N)cc(C)nc2cc1Cl ZINC000064874617 388671174 /nfs/dbraw/zinc/67/11/74/388671174.db2.gz GBMNOSCRDVMVJA-UHFFFAOYSA-N 0 3 222.675 2.787 40 0 BFABHN CCCCCCNCc1cnc(SC)nc1 ZINC000062717218 388656073 /nfs/dbraw/zinc/65/60/73/388656073.db2.gz DMPQJKNXNCTZAP-UHFFFAOYSA-N 0 3 239.388 2.868 40 0 BFABHN CC[C@H](C)N1CCN(c2ccccc2OC)CC1 ZINC000005846383 132318109 /nfs/dbraw/zinc/31/81/09/132318109.db2.gz NVCSFEBABPLCIT-ZDUSSCGKSA-N 0 3 248.370 2.616 40 0 BFABHN CC(C)Oc1ccccc1CNC[C@H]1CCCO1 ZINC000032104793 167310847 /nfs/dbraw/zinc/31/08/47/167310847.db2.gz BOEUSBWYSAPXAK-CQSZACIVSA-N 0 3 249.354 2.742 40 0 BFABHN Cc1c(-c2ccc(Cl)cc2)nc(N)n1C ZINC000199560632 411208059 /nfs/dbraw/zinc/20/80/59/411208059.db2.gz RAABIOZFNBJGCG-UHFFFAOYSA-N 0 3 221.691 2.631 40 0 BFABHN CC1CCN([C@@H](CN)c2ccccc2F)CC1 ZINC000038916561 168186440 /nfs/dbraw/zinc/18/64/40/168186440.db2.gz LWGHCPPOLRADMS-AWEZNQCLSA-N 0 3 236.334 2.557 40 0 BFABHN CCNCc1ccccc1O[C@@H](C)CC ZINC000034658629 170129197 /nfs/dbraw/zinc/12/91/97/170129197.db2.gz NYCAHJCRVKCLDY-NSHDSACASA-N 0 3 207.317 2.973 40 0 BFABHN CCN[C@H](CC)c1cccc(OC)c1OC ZINC000147002266 170161664 /nfs/dbraw/zinc/16/16/64/170161664.db2.gz GGSGZHSZKMZPPU-LLVKDONJSA-N 0 3 223.316 2.764 40 0 BFABHN CCOC(=O)c1cc2cc(CN(C)C)ccc2o1 ZINC000016886486 170293928 /nfs/dbraw/zinc/29/39/28/170293928.db2.gz LZLJHNQXIWCMLY-UHFFFAOYSA-N 0 3 247.294 2.671 40 0 BFABHN CCn1c(N)ncc1-c1ccc(Cl)cc1 ZINC000022130282 172130885 /nfs/dbraw/zinc/13/08/85/172130885.db2.gz GKEVITJVOSSUBH-UHFFFAOYSA-N 0 3 221.691 2.806 40 0 BFABHN CN1[C@@H]2CC[C@H]1Cc1[nH]c3ccccc3c12 ZINC000001612418 173206825 /nfs/dbraw/zinc/20/68/25/173206825.db2.gz WYQXXIUOFPTASR-TVQRCGJNSA-N 0 3 212.296 2.859 40 0 BFABHN CNC[C@@H](OC(C)C)c1c(F)cccc1F ZINC000062711705 173366262 /nfs/dbraw/zinc/36/62/62/173366262.db2.gz KYPKZPDFSUNAJJ-LLVKDONJSA-N 0 3 229.270 2.650 40 0 BFABHN COCCNCc1cc2ccccc2s1 ZINC000004298832 174336238 /nfs/dbraw/zinc/33/62/38/174336238.db2.gz DLSVHICTLXDSJC-UHFFFAOYSA-N 0 3 221.325 2.637 40 0 BFABHN COc1ccc([C@@H](N)c2ccccc2)cc1OC ZINC000004312902 175180370 /nfs/dbraw/zinc/18/03/70/175180370.db2.gz PGBFJBABOKHGQU-HNNXBMFYSA-N 0 3 243.306 2.752 40 0 BFABHN C[C@H]1CCCCN1CCOc1cccc(C=O)c1 ZINC000009261371 177075271 /nfs/dbraw/zinc/07/52/71/177075271.db2.gz RBAGCJNEWBKCOX-ZDUSSCGKSA-N 0 3 247.338 2.752 40 0 BFABHN C[C@H]1CCCCN1Cc1cccc(O)c1 ZINC000062183929 177076902 /nfs/dbraw/zinc/07/69/02/177076902.db2.gz KHMPYRXDRBTNHP-NSHDSACASA-N 0 3 205.301 2.767 40 0 BFABHN C[C@H]1CCCN(CCC(=O)c2ccccc2)C1 ZINC000002044645 177097406 /nfs/dbraw/zinc/09/74/06/177097406.db2.gz PWJRCBZVIFAULR-ZDUSSCGKSA-N 0 3 231.339 2.991 40 0 BFABHN C[C@H]1CCCN(CCOc2cccc(C=O)c2)C1 ZINC000009261375 177099745 /nfs/dbraw/zinc/09/97/45/177099745.db2.gz PXOZTEYWXOHVGT-ZDUSSCGKSA-N 0 3 247.338 2.610 40 0 BFABHN CCc1ccc(CN2CC[C@@H]3O[C@@H](C)C[C@H]3C2)o1 ZINC000096070509 490360638 /nfs/dbraw/zinc/36/06/38/490360638.db2.gz XYAYDGUGLRBZAW-HUBLWGQQSA-N 0 3 249.354 2.841 40 0 BFABHN CCN(CC)CCOC(=O)c1ccc(C)c(C)c1 ZINC000001661316 520692494 /nfs/dbraw/zinc/69/24/94/520692494.db2.gz LDTKXLBQGLPLHI-UHFFFAOYSA-N 0 3 249.354 2.802 40 0 BFABHN NCc1cccn1-c1ccc(Cl)cc1 ZINC000023993757 518197568 /nfs/dbraw/zinc/19/75/68/518197568.db2.gz WSLFJBQELWDZPF-UHFFFAOYSA-N 0 3 206.676 2.589 40 0 BFABHN CCCOc1ccc(CNC[C@@H]2CCCO2)cc1 ZINC000020092402 520366942 /nfs/dbraw/zinc/36/69/42/520366942.db2.gz ATWHSTHTECUFBL-HNNXBMFYSA-N 0 3 249.354 2.744 40 0 BFABHN CCC(CC)(CN(C)C)OC(=O)c1ccccc1 ZINC000000123387 168321141 /nfs/dbraw/zinc/32/11/41/168321141.db2.gz USBXGBKQSALTNN-UHFFFAOYSA-N 0 3 249.354 2.964 40 0 BFABHN Cc1cc(C)cc(NC(=O)C2CCN(C)CC2)c1 ZINC000074713320 398208124 /nfs/dbraw/zinc/20/81/24/398208124.db2.gz HYXAGMYIZHZWOW-UHFFFAOYSA-N 0 3 246.354 2.584 40 0 BFABHN C[C@@](CO)(c1ccccc1Cl)N1CCCC1 ZINC000070453426 259313747 /nfs/dbraw/zinc/31/37/47/259313747.db2.gz FZMPXHCQEZFDDB-CYBMUJFWSA-N 0 3 239.746 2.643 40 0 BFABHN CCOC(=O)C[C@@H](NC)c1ccc(Cl)cc1 ZINC000072210269 259316511 /nfs/dbraw/zinc/31/65/11/259316511.db2.gz FFURIXAMZAMCQH-LLVKDONJSA-N 0 3 241.718 2.554 40 0 BFABHN CN1CCCC[C@H]1c1cccnc1NC1CC1 ZINC000072213733 259317847 /nfs/dbraw/zinc/31/78/47/259317847.db2.gz UOPVGRBJTSCRPY-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN CCCCOc1ccc(C(=O)CCN(C)C)cc1 ZINC000001622119 342706209 /nfs/dbraw/zinc/70/62/09/342706209.db2.gz VFWQNWFOLITBJZ-UHFFFAOYSA-N 0 3 249.354 3.000 40 0 BFABHN CCc1cccc(CC)c1OCCN(C)C ZINC000001734053 342711746 /nfs/dbraw/zinc/71/17/46/342711746.db2.gz PHNVQGZKUXFNAQ-UHFFFAOYSA-N 0 3 221.344 2.752 40 0 BFABHN C[C@H](CN(C)C)C(=O)c1cn(C)c2ccccc12 ZINC000002043342 342715281 /nfs/dbraw/zinc/71/52/81/342715281.db2.gz RWFPJKFBNPDMCR-LLVKDONJSA-N 0 3 244.338 2.559 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(N)cc1C ZINC000072218517 259318486 /nfs/dbraw/zinc/31/84/86/259318486.db2.gz VGDPRRRFEUOXRE-LBPRGKRZSA-N 0 3 219.332 2.519 40 0 BFABHN c1ccc(CN2CCC3=C(CCCO3)C2)cc1 ZINC000034581876 342726154 /nfs/dbraw/zinc/72/61/54/342726154.db2.gz XWHFCXSCCBJTAS-UHFFFAOYSA-N 0 3 229.323 2.957 40 0 BFABHN CCOc1ccc(OC)cc1CNC(C)C ZINC000034656056 342726290 /nfs/dbraw/zinc/72/62/90/342726290.db2.gz ISVMDVAGXLYZEP-UHFFFAOYSA-N 0 3 223.316 2.592 40 0 BFABHN CN1CCCC[C@@H]1c1cccnc1NC1CC1 ZINC000072213732 259318455 /nfs/dbraw/zinc/31/84/55/259318455.db2.gz UOPVGRBJTSCRPY-CYBMUJFWSA-N 0 3 231.343 2.813 40 0 BFABHN Cc1cc(CN)cnc1Sc1ccccc1 ZINC000072222140 259320205 /nfs/dbraw/zinc/32/02/05/259320205.db2.gz RXDFVDOWJPFQEZ-UHFFFAOYSA-N 0 3 230.336 3.000 40 0 BFABHN Cc1cc([C@H](N)c2ccccc2)c[nH]c1=S ZINC000072222749 259320771 /nfs/dbraw/zinc/32/07/71/259320771.db2.gz UIHKFRSIWUQTAG-GFCCVEGCSA-N 0 3 230.336 2.727 40 0 BFABHN Cc1cc(SC(C)(C)C)ncc1CN ZINC000072223858 259321520 /nfs/dbraw/zinc/32/15/20/259321520.db2.gz CCBSTPIMZPXTIS-UHFFFAOYSA-N 0 3 210.346 2.739 40 0 BFABHN CN(C)[C@H](CN)c1ccc(Cl)cc1Cl ZINC000019255034 342944411 /nfs/dbraw/zinc/94/44/11/342944411.db2.gz XGPRWFUASSGHKS-SNVBAGLBSA-N 0 3 233.142 2.555 40 0 BFABHN CCOc1ccc([C@@H](C)NC[C@@H]2CCCO2)cc1 ZINC000019963692 342965188 /nfs/dbraw/zinc/96/51/88/342965188.db2.gz GWZHNODLZKJLGW-DOMZBBRYSA-N 0 3 249.354 2.915 40 0 BFABHN CCn1cc(Cc2ccccc2Cl)nc1N ZINC000199550059 347434792 /nfs/dbraw/zinc/43/47/92/347434792.db2.gz JQSMHCMQMZTCTN-UHFFFAOYSA-N 0 3 235.718 2.729 40 0 BFABHN CC[C@](C)(O)CCCCCC1C=CC(=O)O1 ZINC000014490834 362889000 /nfs/dbraw/zinc/88/90/00/362889000.db2.gz SYVFGLXUEAXFAP-YPMHNXCESA-N 0 3 226.316 2.580 40 0 biogenic,in-vitro BFABHN Cc1c[nH]nc1[C@H]1CCCCN1CC1CC1 ZINC000205688096 348575204 /nfs/dbraw/zinc/57/52/04/348575204.db2.gz XUFXUPIHKOPARP-GFCCVEGCSA-N 0 3 219.332 2.655 40 0 BFABHN Cc1nc([C@@H]2CCCCN2)c2sccn12 ZINC000257308463 180041969 /nfs/dbraw/zinc/04/19/69/180041969.db2.gz TWUPKKGQBFKBBN-VIFPVBQESA-N 0 3 221.329 2.519 40 0 BFABHN N[C@H]1CN(c2ccccc2)[C@H]1c1ccccc1 ZINC000224239569 350314615 /nfs/dbraw/zinc/31/46/15/350314615.db2.gz VVQBLBPWBQUFOS-GJZGRUSLSA-N 0 3 224.307 2.575 40 0 BFABHN CCOc1ccccc1[C@@H](CN)N1CCCCC1 ZINC000038827640 350323742 /nfs/dbraw/zinc/32/37/42/350323742.db2.gz LOXXZSDJVWKOOL-CQSZACIVSA-N 0 3 248.370 2.571 40 0 BFABHN Clc1ccc(-c2noc([C@@H]3CCCN3)n2)cc1 ZINC000000325034 363050050 /nfs/dbraw/zinc/05/00/50/363050050.db2.gz LRTKGMLPJDOCKA-JTQLQIEISA-N 0 3 249.701 2.815 40 0 BFABHN CC(C)N(CCO)Cc1ccc(Cl)cc1 ZINC000049802012 188125291 /nfs/dbraw/zinc/12/52/91/188125291.db2.gz MEUYTDVVEFAKJX-UHFFFAOYSA-N 0 3 227.735 2.543 40 0 BFABHN COc1ccc(CN2CCC(C)CC2)c(OC)c1 ZINC000158842470 188158094 /nfs/dbraw/zinc/15/80/94/188158094.db2.gz SEJZBUPLCMWCIO-UHFFFAOYSA-N 0 3 249.354 2.936 40 0 BFABHN NC1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000034592813 181338786 /nfs/dbraw/zinc/33/87/86/181338786.db2.gz XOUOFYWYDVOBNR-CQSZACIVSA-N 0 3 237.306 2.910 40 0 BFABHN Cc1c[nH]nc1[C@@H]1CCCCN1CC1CC1 ZINC000205688080 368357834 /nfs/dbraw/zinc/35/78/34/368357834.db2.gz XUFXUPIHKOPARP-LBPRGKRZSA-N 0 3 219.332 2.655 40 0 BFABHN CCCOc1ccc([C@@H](C)NCCOC)cc1 ZINC000019881632 169320922 /nfs/dbraw/zinc/32/09/22/169320922.db2.gz LMHLGHVFTHVUMF-GFCCVEGCSA-N 0 3 237.343 2.772 40 0 BFABHN c1sc2c(c1CNC1CC1)CCCC2 ZINC000085396194 183555178 /nfs/dbraw/zinc/55/51/78/183555178.db2.gz MQBJIWGDVDXGMR-UHFFFAOYSA-N 0 3 207.342 2.879 40 0 BFABHN NCc1c(F)c(Cl)ccc1C(F)(F)F ZINC000036533628 383903099 /nfs/dbraw/zinc/90/30/99/383903099.db2.gz PFFHSWMYXNZCJJ-UHFFFAOYSA-N 0 3 227.588 2.957 40 0 BFABHN CCn1c2ccc(Cl)cc2nc1[C@H](C)N ZINC000037440351 383978588 /nfs/dbraw/zinc/97/85/88/383978588.db2.gz XMINNDFPMGEHTA-ZETCQYMHSA-N 0 3 223.707 2.729 40 0 BFABHN CN(C)CCO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2 ZINC000004416400 384062277 /nfs/dbraw/zinc/06/22/77/384062277.db2.gz SZZKEDPTVWMFNF-OUCADQQQSA-N 0 3 225.376 2.779 40 0 BFABHN O=Cc1ccc(OCCN2CCCCCC2)cc1 ZINC000006413975 384153369 /nfs/dbraw/zinc/15/33/69/384153369.db2.gz COFCTUNXRHGCRK-UHFFFAOYSA-N 0 3 247.338 2.754 40 0 BFABHN CC(C)(CO)NCc1cccc(Cl)c1Cl ZINC000006883175 384171460 /nfs/dbraw/zinc/17/14/60/384171460.db2.gz CQKNUEYZJIGXSH-UHFFFAOYSA-N 0 3 248.153 2.854 40 0 BFABHN CCCCNCc1cccc(OC)c1OC ZINC000007261729 384175872 /nfs/dbraw/zinc/17/58/72/384175872.db2.gz BMONATYNRAWNMZ-UHFFFAOYSA-N 0 3 223.316 2.594 40 0 BFABHN Cc1c[nH]nc1[C@H]1CCCN1C1CCCC1 ZINC000072356825 384210467 /nfs/dbraw/zinc/21/04/67/384210467.db2.gz NLDXHQFPZZRTNN-GFCCVEGCSA-N 0 3 219.332 2.798 40 0 BFABHN CC(=O)[C@@H](C)CCCCCC1C=CC(=O)O1 ZINC000014490848 384244287 /nfs/dbraw/zinc/24/42/87/384244287.db2.gz MSOHKYKACHEERC-CMPLNLGQSA-N 0 3 224.300 2.644 40 0 biogenic,in-vitro BFABHN NCc1cn(-c2cc(Cl)ccc2Cl)cn1 ZINC000082550306 384308793 /nfs/dbraw/zinc/30/87/93/384308793.db2.gz UJISONJQZVGWOI-UHFFFAOYSA-N 0 3 242.109 2.638 40 0 BFABHN COC[C@@]12CCC[C@@H]1CN(Cc1ccco1)C2 ZINC000096109133 384433433 /nfs/dbraw/zinc/43/34/33/384433433.db2.gz SNBQHOKSAUFCJU-OCCSQVGLSA-N 0 3 235.327 2.528 40 0 BFABHN NCc1cccn1Cc1ccc(Cl)cc1 ZINC000049453086 384537581 /nfs/dbraw/zinc/53/75/81/384537581.db2.gz UPBUCBLDEJQCMF-UHFFFAOYSA-N 0 3 220.703 2.649 40 0 BFABHN Fc1cccc(-c2nc3c(s2)CNCC3)c1 ZINC000053335637 384783209 /nfs/dbraw/zinc/78/32/09/384783209.db2.gz DLVSCFNXUMTMGB-UHFFFAOYSA-N 0 3 234.299 2.595 40 0 BFABHN Cc1ccc(C)c(-n2cccc2CN)c1 ZINC000023993761 384808897 /nfs/dbraw/zinc/80/88/97/384808897.db2.gz FPSNUOBUFWBARO-UHFFFAOYSA-N 0 3 200.285 2.553 40 0 BFABHN CCN1CCCC[C@H]1c1ncccc1C ZINC000072211148 385066869 /nfs/dbraw/zinc/06/68/69/385066869.db2.gz ULOVRFROGOBDNM-LBPRGKRZSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@H]1c1cc(C)ccn1 ZINC000072211202 385068398 /nfs/dbraw/zinc/06/83/98/385068398.db2.gz WWLASKOHCPXRIO-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN CCCN1CCCC[C@@H]1c1cccnc1N ZINC000072212434 385076863 /nfs/dbraw/zinc/07/68/63/385076863.db2.gz VZMQFYHZYNRAFR-GFCCVEGCSA-N 0 3 219.332 2.601 40 0 BFABHN CCN(CC)c1ncccc1[C@@H]1CCCCN1 ZINC000072212908 385079039 /nfs/dbraw/zinc/07/90/39/385079039.db2.gz HBZVFYQWXQXRBL-ZDUSSCGKSA-N 0 3 233.359 2.742 40 0 BFABHN CCN(C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072212708 385079780 /nfs/dbraw/zinc/07/97/80/385079780.db2.gz GVBQEUDIBWOXLC-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCCN1CCC[C@@H]1c1cccnc1N(C)C ZINC000072212657 385079949 /nfs/dbraw/zinc/07/99/49/385079949.db2.gz PZTCHVPFPJTCLP-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CCCN1CCC[C@H]1c1cccnc1N(C)C ZINC000072212658 385080521 /nfs/dbraw/zinc/08/05/21/385080521.db2.gz PZTCHVPFPJTCLP-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCN1CCCC[C@H]1c1cccnc1N(C)C ZINC000072212673 385080648 /nfs/dbraw/zinc/08/06/48/385080648.db2.gz QDXDJBTXLRJNTF-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCSc1ncc(CNCCC(C)C)cn1 ZINC000062717328 385030832 /nfs/dbraw/zinc/03/08/32/385030832.db2.gz XUKQRYHZQJEDOI-UHFFFAOYSA-N 0 3 239.388 2.724 40 0 BFABHN COc1ccc(OC)c([C@H]2CCCCN2C)c1 ZINC000072221879 385109347 /nfs/dbraw/zinc/10/93/47/385109347.db2.gz JRQCNXGGQADSMO-CYBMUJFWSA-N 0 3 235.327 2.861 40 0 BFABHN CCCN1CCC[C@H]1c1ccc(OC)nc1C ZINC000072218078 385090197 /nfs/dbraw/zinc/09/01/97/385090197.db2.gz CRTAHBKGJFGZME-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CN1CCCC[C@@H]1c1ccc(N2CCCC2)nc1 ZINC000072215936 385093536 /nfs/dbraw/zinc/09/35/36/385093536.db2.gz QVODXARGPBHTOF-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN Cc1cc([C@H]2CCCCN2)cnc1Cl ZINC000072217793 385094355 /nfs/dbraw/zinc/09/43/55/385094355.db2.gz OFHPQKDEULZUGP-SNVBAGLBSA-N 0 3 210.708 2.858 40 0 BFABHN CCN1CCC[C@@H]1c1cccnc1SC ZINC000072216932 385097834 /nfs/dbraw/zinc/09/78/34/385097834.db2.gz BVNQPNPGSFHYFG-LLVKDONJSA-N 0 3 222.357 2.960 40 0 BFABHN Cc1cc([C@@H]2CCCCN2C)cnc1N(C)C ZINC000072218634 385100449 /nfs/dbraw/zinc/10/04/49/385100449.db2.gz XVTWSVYZDWZCQR-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN Cc1cc([C@H]2CCCCN2C)cnc1N(C)C ZINC000072218635 385102199 /nfs/dbraw/zinc/10/21/99/385102199.db2.gz XVTWSVYZDWZCQR-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN COc1ccccc1[C@H]1CCCCN1C ZINC000072221473 385106800 /nfs/dbraw/zinc/10/68/00/385106800.db2.gz HTFMLIHDBUGANR-GFCCVEGCSA-N 0 3 205.301 2.852 40 0 BFABHN COc1ccc([C@@H]2CCCCN2C)cc1 ZINC000072221510 385107501 /nfs/dbraw/zinc/10/75/01/385107501.db2.gz KSVIBVRZHTZGFY-ZDUSSCGKSA-N 0 3 205.301 2.852 40 0 BFABHN CC(C)(C)c1c[nH]c([C@H]2CCCCN2)n1 ZINC000036876664 385587562 /nfs/dbraw/zinc/58/75/62/385587562.db2.gz ZAZFBZUBIYGKPW-SECBINFHSA-N 0 3 207.321 2.522 40 0 BFABHN CCCn1cccc1CN1CCCCC1 ZINC000225309238 386184215 /nfs/dbraw/zinc/18/42/15/386184215.db2.gz OQBDQPNEXIHUHS-UHFFFAOYSA-N 0 3 206.333 2.884 40 0 BFABHN c1cncc([C@@H]2CCC3CCN2CC3)c1 ZINC000034278843 386432382 /nfs/dbraw/zinc/43/23/82/386432382.db2.gz WIEWCOLOPGXZDJ-ZDUSSCGKSA-N 0 3 202.301 2.629 40 0 investigational BFABHN CC(C)CC[C@H]1CNCC2(CCCC2)O1 ZINC000242495721 388818552 /nfs/dbraw/zinc/81/85/52/388818552.db2.gz GNVYLRAJQJKVQI-LBPRGKRZSA-N 0 3 211.349 2.724 40 0 BFABHN CC(C)O[C@@H](CN)c1cccc(Cl)c1 ZINC000043017980 167280721 /nfs/dbraw/zinc/28/07/21/167280721.db2.gz YKHPLFHOQQECRS-NSHDSACASA-N 0 3 213.708 2.765 40 0 BFABHN Clc1cccc(-c2nnc([C@H]3CCCN3)o2)c1 ZINC000032104937 411215160 /nfs/dbraw/zinc/21/51/60/411215160.db2.gz WBFHNTINJPAVQY-SNVBAGLBSA-N 0 3 249.701 2.815 40 0 BFABHN Clc1ccc(-c2nnc([C@@H]3CCCN3)o2)cc1 ZINC000032104940 411215239 /nfs/dbraw/zinc/21/52/39/411215239.db2.gz XKBGKNVCDAQHDY-JTQLQIEISA-N 0 3 249.701 2.815 40 0 BFABHN CC1CCN(CCOc2cccc(C=O)c2)CC1 ZINC000009261378 168180261 /nfs/dbraw/zinc/18/02/61/168180261.db2.gz ZVQLSQMHJMSIRF-UHFFFAOYSA-N 0 3 247.338 2.610 40 0 BFABHN CCC(=O)[C@H](CCN(C)C)c1ccccc1 ZINC000001996569 168254028 /nfs/dbraw/zinc/25/40/28/168254028.db2.gz ZFQTWPRJPYNFEC-CYBMUJFWSA-N 0 3 219.328 2.701 40 0 BFABHN CCN[C@H](CC)C(=O)c1ccc2c(c1)CCC2 ZINC000071535496 170160894 /nfs/dbraw/zinc/16/08/94/170160894.db2.gz VJXZPPKMTRTYIH-CQSZACIVSA-N 0 3 231.339 2.746 40 0 in-vitro BFABHN CCOc1c(CNC2CC2)ccc(C)c1C ZINC000095094901 170513417 /nfs/dbraw/zinc/51/34/17/170513417.db2.gz HNWDNJLWIQTMCF-UHFFFAOYSA-N 0 3 219.328 2.954 40 0 BFABHN CC[C@@](C)(O)CCCCCC1C=CC(=O)O1 ZINC000014490828 171178521 /nfs/dbraw/zinc/17/85/21/171178521.db2.gz SYVFGLXUEAXFAP-WCQYABFASA-N 0 3 226.316 2.580 40 0 biogenic,in-vitro BFABHN CCc1nc2c(s1)[C@H](C(C)C)NCC2 ZINC000218331507 172009631 /nfs/dbraw/zinc/00/96/31/172009631.db2.gz JUHQHJJUTQUBBE-JTQLQIEISA-N 0 3 210.346 2.548 40 0 BFABHN CNCc1ccc(-c2ccc(F)cc2F)o1 ZINC000036818821 173388054 /nfs/dbraw/zinc/38/80/54/173388054.db2.gz LQGNQOGPFXJURU-UHFFFAOYSA-N 0 3 223.222 2.944 40 0 BFABHN COc1ccc([C@H](C)NC[C@H]2CCCO2)cc1 ZINC000019963607 175189709 /nfs/dbraw/zinc/18/97/09/175189709.db2.gz NICCLSBWWUDBHY-SMDDNHRTSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@@H](c1cccc(Cl)c1)N(CCO)C1CC1 ZINC000079421118 176018106 /nfs/dbraw/zinc/01/81/06/176018106.db2.gz ZXPFSCLOIHDLLL-JTQLQIEISA-N 0 3 239.746 2.858 40 0 BFABHN C[C@H]1CCCCN1Cc1cccc(C=O)c1 ZINC000095738621 177077460 /nfs/dbraw/zinc/07/74/60/177077460.db2.gz LFKSENBXQNHAGH-LBPRGKRZSA-N 0 3 217.312 2.874 40 0 BFABHN CN1CCC(O)(c2ccc(C(C)(C)C)cc2)CC1 ZINC000004722484 491085057 /nfs/dbraw/zinc/08/50/57/491085057.db2.gz ZDOVATNIWHRFET-UHFFFAOYSA-N 0 3 247.382 2.897 40 0 BFABHN Cc1cc(C)nc([C@@H]2CCCN(CC3CC3)C2)n1 ZINC000072361367 177948937 /nfs/dbraw/zinc/94/89/37/177948937.db2.gz JFJHLZUCMIEQFS-CQSZACIVSA-N 0 3 245.370 2.683 40 0 BFABHN COc1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072211725 259317534 /nfs/dbraw/zinc/31/75/34/259317534.db2.gz XYNCKLPODRTNMQ-ZDUSSCGKSA-N 0 3 234.343 2.883 40 0 BFABHN Cc1cc(=S)[nH]cc1[C@@H](N)c1ccccc1 ZINC000072223794 259321556 /nfs/dbraw/zinc/32/15/56/259321556.db2.gz SJWPBXWKRJQQEX-ZDUSSCGKSA-N 0 3 230.336 2.727 40 0 BFABHN C[C@@H]1CCCN([C@H](CN)c2cccc(F)c2)C1 ZINC000251569953 398298568 /nfs/dbraw/zinc/29/85/68/398298568.db2.gz AQJWATPQMKGMEX-BXUZGUMPSA-N 0 3 236.334 2.557 40 0 BFABHN CC[C@H]1CNCc2cc3cccc(C)c3nc2O1 ZINC000019500982 342950088 /nfs/dbraw/zinc/95/00/88/342950088.db2.gz HOISUKPDDHBXID-ZDUSSCGKSA-N 0 3 242.322 2.804 40 0 BFABHN CN(C)Cc1c[nH]c2cc(Cl)ccc12 ZINC000001688890 345937923 /nfs/dbraw/zinc/93/79/23/345937923.db2.gz PQOIPGFSMNOWAU-UHFFFAOYSA-N 0 3 208.692 2.883 40 0 BFABHN Cn1c(N)ncc1-c1ccc(Cl)c(Cl)c1 ZINC000000873776 346426395 /nfs/dbraw/zinc/42/63/95/346426395.db2.gz NVUQJXLKVZRBFC-UHFFFAOYSA-N 0 3 242.109 2.976 40 0 BFABHN Cc1cccc(NC(=O)CC2CCN(C)CC2)c1 ZINC000074920983 179126022 /nfs/dbraw/zinc/12/60/22/179126022.db2.gz YQGIIOKBLYRIDZ-UHFFFAOYSA-N 0 3 246.354 2.665 40 0 BFABHN CC[C@@H](C)N1CCN(Cc2ccc(C)cc2)CC1 ZINC000019889608 347375263 /nfs/dbraw/zinc/37/52/63/347375263.db2.gz KYJKJHIZDCHKLA-OAHLLOKOSA-N 0 3 246.398 2.911 40 0 BFABHN Cc1c(-c2ccccc2Cl)nc(N)n1C ZINC000199559899 187384314 /nfs/dbraw/zinc/38/43/14/187384314.db2.gz TXXBPZSRJDCMFO-UHFFFAOYSA-N 0 3 221.691 2.631 40 0 BFABHN Clc1cccc(-c2noc([C@H]3CCCN3)n2)c1 ZINC000000325031 363050270 /nfs/dbraw/zinc/05/02/70/363050270.db2.gz NPMYWCOYBYGCSM-SNVBAGLBSA-N 0 3 249.701 2.815 40 0 BFABHN CCOc1ccc(C)cc1CNC1CC1 ZINC000070955085 259523075 /nfs/dbraw/zinc/52/30/75/259523075.db2.gz NZWFSKFKGAVVFO-UHFFFAOYSA-N 0 3 205.301 2.646 40 0 BFABHN NC1(c2cc(Cl)ccc2Cl)CC1 ZINC000071508344 181334291 /nfs/dbraw/zinc/33/42/91/181334291.db2.gz CWKWHCDCFBSKLE-UHFFFAOYSA-N 0 3 202.084 2.941 40 0 BFABHN NC1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000034592812 181339292 /nfs/dbraw/zinc/33/92/92/181339292.db2.gz XOUOFYWYDVOBNR-AWEZNQCLSA-N 0 3 237.306 2.910 40 0 BFABHN CN1CCCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215997 259528142 /nfs/dbraw/zinc/52/81/42/259528142.db2.gz XLMQBMGCEIANSQ-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN Cc1nc([C@@H]2CCCCN2)cc(C(F)(F)F)n1 ZINC000019686146 368319221 /nfs/dbraw/zinc/31/92/21/368319221.db2.gz RBOYERHVYMZCET-QMMMGPOBSA-N 0 3 245.248 2.618 40 0 BFABHN CCN1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000057621050 369401661 /nfs/dbraw/zinc/40/16/61/369401661.db2.gz RJDHXOWPLVSCDD-CYBMUJFWSA-N 0 3 235.327 2.861 40 0 BFABHN N[C@H](c1cccs1)c1cccc(F)c1 ZINC000019842086 371194031 /nfs/dbraw/zinc/19/40/31/371194031.db2.gz CRDOIKVWLSKCIE-NSHDSACASA-N 0 3 207.273 2.935 40 0 BFABHN CCCC[C@@H](NC)C(=O)c1ccc(C)cc1 ZINC000096032832 371388690 /nfs/dbraw/zinc/38/86/90/371388690.db2.gz BDTHWVVHQBNAGU-CYBMUJFWSA-N 0 3 219.328 2.956 40 0 in-vitro BFABHN CCC[C@@H](CN(C)C)C(=O)c1ccccc1 ZINC000001733147 169382765 /nfs/dbraw/zinc/38/27/65/169382765.db2.gz DWCOQCYKJHJUSI-ZDUSSCGKSA-N 0 3 219.328 2.847 40 0 BFABHN CN(C)CC[C@@H](O)c1ccc2ccccc2c1 ZINC000035327607 383852636 /nfs/dbraw/zinc/85/26/36/383852636.db2.gz MOCSVQOLWDFOND-OAHLLOKOSA-N 0 3 229.323 2.825 40 0 BFABHN CN(C)CC[C@@H](C(=O)C(C)(C)C)c1ccccn1 ZINC000002045651 383947593 /nfs/dbraw/zinc/94/75/93/383947593.db2.gz WHFIZBVXVJYPFM-GFCCVEGCSA-N 0 3 248.370 2.732 40 0 in-vitro BFABHN Cc1ccc(C)c2nc(Cl)c(CN)cc12 ZINC000089261979 383954982 /nfs/dbraw/zinc/95/49/82/383954982.db2.gz IIMDXQGVAGMHKW-UHFFFAOYSA-N 0 3 220.703 2.964 40 0 BFABHN Cc1ccc([C@@H](O)[C@@H](N)c2ccccc2)cc1 ZINC000005546298 384120530 /nfs/dbraw/zinc/12/05/30/384120530.db2.gz CPTGAOPLCQIBTJ-LSDHHAIUSA-N 0 3 227.307 2.728 40 0 BFABHN CC[C@H](CO)NCc1ccc(Cl)c(Cl)c1 ZINC000008337043 384199458 /nfs/dbraw/zinc/19/94/58/384199458.db2.gz ANBJZCUFUYRUDR-SECBINFHSA-N 0 3 248.153 2.854 40 0 BFABHN Cc1c[nH]nc1[C@@H]1CCCN1C1CCCC1 ZINC000072356824 384211607 /nfs/dbraw/zinc/21/16/07/384211607.db2.gz NLDXHQFPZZRTNN-LBPRGKRZSA-N 0 3 219.332 2.798 40 0 BFABHN CN(C)CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000012649732 384327716 /nfs/dbraw/zinc/32/77/16/384327716.db2.gz MXOPILVGQYKXRO-NSHDSACASA-N 0 3 248.153 2.979 40 0 BFABHN CCOP(=O)(OCC)[C@H](N)[C@H](C)CC ZINC000001707654 384448988 /nfs/dbraw/zinc/44/89/88/384448988.db2.gz WLXZADYPHWHTPD-BDAKNGLRSA-N 0 3 223.253 2.583 40 0 BFABHN CC[C@H](C)n1c(CNC)nc2ccccc21 ZINC000040163803 384544450 /nfs/dbraw/zinc/54/44/50/384544450.db2.gz XSWVWXBNSXOLBM-JTQLQIEISA-N 0 3 217.316 2.727 40 0 BFABHN CN[C@H](C)c1ccccc1OC(F)F ZINC000021954198 384710899 /nfs/dbraw/zinc/71/08/99/384710899.db2.gz ZGZVCMBNUHRONP-SSDOTTSWSA-N 0 3 201.216 2.568 40 0 BFABHN NCc1ccc(-c2ccc(Cl)cc2)nc1 ZINC000083251474 384755911 /nfs/dbraw/zinc/75/59/11/384755911.db2.gz QDNBANFGWMMUMK-UHFFFAOYSA-N 0 3 218.687 2.861 40 0 BFABHN Cc1ccc(C2(O)CCN(C(C)C)CC2)s1 ZINC000084006871 384828513 /nfs/dbraw/zinc/82/85/13/384828513.db2.gz AHOZXXPYDDZZII-UHFFFAOYSA-N 0 3 239.384 2.748 40 0 BFABHN NCc1cccn1-c1ccccc1Cl ZINC000023993773 384808176 /nfs/dbraw/zinc/80/81/76/384808176.db2.gz VTXMOANICWEQJC-UHFFFAOYSA-N 0 3 206.676 2.589 40 0 BFABHN Cc1ccc(F)cc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000129093262 384978439 /nfs/dbraw/zinc/97/84/39/384978439.db2.gz UONWEWRDJGPRJA-MCIONIFRSA-N 0 3 235.302 2.544 40 0 BFABHN Cc1cc(Br)cc2cc(CN)[nH]c21 ZINC000095095260 385071958 /nfs/dbraw/zinc/07/19/58/385071958.db2.gz DGARGIMGASMFNM-UHFFFAOYSA-N 0 3 239.116 2.698 40 0 BFABHN COc1ncccc1[C@@H]1CCCN1C(C)C ZINC000072211721 385072958 /nfs/dbraw/zinc/07/29/58/385072958.db2.gz ALQWFKHEULFBFN-LBPRGKRZSA-N 0 3 220.316 2.636 40 0 BFABHN CC(C)Oc1ccc([C@@H]2CCCCN2)cn1 ZINC000072211911 385076237 /nfs/dbraw/zinc/07/62/37/385076237.db2.gz UULIVSMUAQWGNX-LBPRGKRZSA-N 0 3 220.316 2.683 40 0 BFABHN CC(C)N1CCCC[C@@H]1c1cccnc1N ZINC000072212436 385076643 /nfs/dbraw/zinc/07/66/43/385076643.db2.gz WNTJVHJPBNJFES-GFCCVEGCSA-N 0 3 219.332 2.599 40 0 BFABHN CCNc1ccc([C@@H]2CCCN2CC)cn1 ZINC000072213065 385078250 /nfs/dbraw/zinc/07/82/50/385078250.db2.gz RRRMCYJDEXKMIX-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CCN(C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072212707 385078416 /nfs/dbraw/zinc/07/84/16/385078416.db2.gz GVBQEUDIBWOXLC-CYBMUJFWSA-N 0 3 233.359 2.695 40 0 BFABHN CCN(CC)c1ccc([C@@H]2CCCN2C)cn1 ZINC000072212821 385080228 /nfs/dbraw/zinc/08/02/28/385080228.db2.gz FOQKKGFZDRJLOB-ZDUSSCGKSA-N 0 3 233.359 2.695 40 0 BFABHN CCN1CCC[C@H]1c1cccnc1NC1CC1 ZINC000072213710 385082891 /nfs/dbraw/zinc/08/28/91/385082891.db2.gz DYSWJCJBFNZTGU-ZDUSSCGKSA-N 0 3 231.343 2.813 40 0 BFABHN COc1ncc([C@H]2CCCCN2C)cc1C ZINC000072217736 385090633 /nfs/dbraw/zinc/09/06/33/385090633.db2.gz RBWDZKNOHAAYOK-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN CN1CCCC[C@@H]1c1cccnc1N1CCCC1 ZINC000072215996 385093159 /nfs/dbraw/zinc/09/31/59/385093159.db2.gz XLMQBMGCEIANSQ-CQSZACIVSA-N 0 3 245.370 2.839 40 0 BFABHN Cc1nc(Cl)ccc1[C@@H]1CCCCN1 ZINC000072217912 385093582 /nfs/dbraw/zinc/09/35/82/385093582.db2.gz KFTHMVKCXINEPX-JTQLQIEISA-N 0 3 210.708 2.858 40 0 BFABHN CCN1CCC[C@H]1c1c(OC)cccc1OC ZINC000072221412 385107231 /nfs/dbraw/zinc/10/72/31/385107231.db2.gz UARXGYOEDCVSRL-NSHDSACASA-N 0 3 235.327 2.861 40 0 BFABHN Cc1cc(C)cc(-n2cccc2CN)c1 ZINC000223682490 386091067 /nfs/dbraw/zinc/09/10/67/386091067.db2.gz FSRZCPYVFJROQL-UHFFFAOYSA-N 0 3 200.285 2.553 40 0 BFABHN Cc1ccc(CN)n1-c1nc2ccccc2s1 ZINC000223748108 386098531 /nfs/dbraw/zinc/09/85/31/386098531.db2.gz CPNGELBKQYEGJB-UHFFFAOYSA-N 0 3 243.335 2.854 40 0 BFABHN CCCCN(C)Cc1ccccc1C=O ZINC000095739697 387004666 /nfs/dbraw/zinc/00/46/66/387004666.db2.gz FHUJYBMSQATNAW-UHFFFAOYSA-N 0 3 205.301 2.731 40 0 BFABHN CCC[C@H](NC)C(=O)c1ccc(Cl)cc1 ZINC000575440695 387136820 /nfs/dbraw/zinc/13/68/20/387136820.db2.gz OPCMVVKRCLOEDQ-NSHDSACASA-N 0 3 225.719 2.911 40 0 in-vitro BFABHN c1ccc2c(c1)[nH]c1c2CCN2CCC[C@@H]12 ZINC000001630521 387458042 /nfs/dbraw/zinc/45/80/42/387458042.db2.gz LXJWBHIVLXMHDZ-ZDUSSCGKSA-N 0 3 212.296 2.861 40 0 in-vitro BFABHN CCCCCNCc1cc(C(C)C)nn1C ZINC000256050315 387859264 /nfs/dbraw/zinc/85/92/64/387859264.db2.gz DPLSXTFPDODYDF-UHFFFAOYSA-N 0 3 223.364 2.823 40 0 BFABHN CCC(=O)C[C@H]1CCC[C@H](CC(=O)CC)N1C ZINC000001716560 168210632 /nfs/dbraw/zinc/21/06/32/168210632.db2.gz UKHHFOBGFNUOCK-VXGBXAGGSA-N 0 3 239.359 2.578 40 0 BFABHN CCC(=O)C[C@H]1CCC[C@@H](CC(=O)CC)N1C ZINC000001716558 168210651 /nfs/dbraw/zinc/21/06/51/168210651.db2.gz UKHHFOBGFNUOCK-TXEJJXNPSA-N 0 3 239.359 2.578 40 0 BFABHN CCNCc1ccccc1O[C@H](C)CC ZINC000034658627 170129298 /nfs/dbraw/zinc/12/92/98/170129298.db2.gz NYCAHJCRVKCLDY-LLVKDONJSA-N 0 3 207.317 2.973 40 0 BFABHN CCc1sc(CN)cc1Br ZINC000085392803 172129499 /nfs/dbraw/zinc/12/94/99/172129499.db2.gz RCZSXNZHPNUASX-UHFFFAOYSA-N 0 3 220.135 2.532 40 0 BFABHN CCn1c(CNC2CC2)ccc1Cc1ccco1 ZINC000226021641 172144810 /nfs/dbraw/zinc/14/48/10/172144810.db2.gz FUVOLSFKLRXVIZ-UHFFFAOYSA-N 0 3 244.338 2.944 40 0 BFABHN CN(C)C1(c2ccc(F)cc2)CCC(=O)CC1 ZINC000027427970 172404432 /nfs/dbraw/zinc/40/44/32/172404432.db2.gz ULUPKLLIXIIQRH-UHFFFAOYSA-N 0 3 235.302 2.726 40 0 BFABHN COCCN1CCc2sccc2[C@H]1C1CC1 ZINC000072350994 174316175 /nfs/dbraw/zinc/31/61/75/174316175.db2.gz JDWAELZTSBCRGH-CYBMUJFWSA-N 0 3 237.368 2.704 40 0 BFABHN COc1ccc(COc2ccccc2CN)cc1 ZINC000020076648 175114250 /nfs/dbraw/zinc/11/42/50/175114250.db2.gz YWPAFVJEOSYUTH-UHFFFAOYSA-N 0 3 243.306 2.733 40 0 BFABHN COc1ccc([C@@H](N)c2cccs2)cc1 ZINC000019842006 175180185 /nfs/dbraw/zinc/18/01/85/175180185.db2.gz UGYQKUPMLNVCIX-GFCCVEGCSA-N 0 3 219.309 2.805 40 0 BFABHN COc1ccccc1[C@@H](C)NC[C@@H]1CCCO1 ZINC000019963508 175345104 /nfs/dbraw/zinc/34/51/04/175345104.db2.gz JOWYGUNQOPNQSW-NEPJUHHUSA-N 0 3 235.327 2.525 40 0 BFABHN C[C@@H](c1ccccc1)n1cccc1CN ZINC000223690642 176023521 /nfs/dbraw/zinc/02/35/21/176023521.db2.gz ZIQJLMBUPOBBAJ-NSHDSACASA-N 0 3 200.285 2.556 40 0 BFABHN C[C@@H]1CC(C)(C)NC2=NC(C)(C)CC[C@H]21 ZINC000057990120 176052700 /nfs/dbraw/zinc/05/27/00/176052700.db2.gz UIZGCTCJFKGHAI-ZJUUUORDSA-N 0 3 208.349 2.982 40 0 BFABHN C[C@@H]1CCCN([C@@H](CN)c2cccc(F)c2)C1 ZINC000022163605 176102832 /nfs/dbraw/zinc/10/28/32/176102832.db2.gz AQJWATPQMKGMEX-RISCZKNCSA-N 0 3 236.334 2.557 40 0 BFABHN CCC[C@H](NCC)C(=O)c1ccc(OC)cc1 ZINC000575598498 487862691 /nfs/dbraw/zinc/86/26/91/487862691.db2.gz HUCVECBJRKKMRN-ZDUSSCGKSA-N 0 3 235.327 2.656 40 0 in-vitro BFABHN CCN(CC)CCNCc1ccccc1Cl ZINC000019919117 520686362 /nfs/dbraw/zinc/68/63/62/520686362.db2.gz UMRRAWDIVCXZAB-UHFFFAOYSA-N 0 3 240.778 2.771 40 0 BFABHN C[C@](CO)(c1ccccc1Cl)N1CCCC1 ZINC000070453427 259313830 /nfs/dbraw/zinc/31/38/30/259313830.db2.gz FZMPXHCQEZFDDB-ZDUSSCGKSA-N 0 3 239.746 2.643 40 0 BFABHN Cc1[nH]c(=S)ccc1[C@H]1CCCCN1C ZINC000072218395 259318057 /nfs/dbraw/zinc/31/80/57/259318057.db2.gz KFTFDPYVFMDQKE-LLVKDONJSA-N 0 3 222.357 2.836 40 0 BFABHN Cc1cc(=S)[nH]cc1[C@H]1CCCCN1C ZINC000072218335 259318084 /nfs/dbraw/zinc/31/80/84/259318084.db2.gz HTOWNSYZQDREPI-LLVKDONJSA-N 0 3 222.357 2.836 40 0 BFABHN Cc1cc([C@@H]2CCCCN2C)c[nH]c1=S ZINC000072218274 259318374 /nfs/dbraw/zinc/31/83/74/259318374.db2.gz APSMQBIOZXCFOG-NSHDSACASA-N 0 3 222.357 2.836 40 0 BFABHN CNCc1cnc(Oc2ccccc2)cc1C ZINC000072223167 259320883 /nfs/dbraw/zinc/32/08/83/259320883.db2.gz PHEIUGNJCGAFFO-UHFFFAOYSA-N 0 3 228.295 2.902 40 0 BFABHN CSc1ccc([C@H](N)c2ccccc2)cn1 ZINC000072225093 259322210 /nfs/dbraw/zinc/32/22/10/259322210.db2.gz SBWFGOSLVRHKDT-CYBMUJFWSA-N 0 3 230.336 2.852 40 0 BFABHN CCOc1ccccc1[C@@H](C)NC[C@H]1CCCO1 ZINC000019963772 342965032 /nfs/dbraw/zinc/96/50/32/342965032.db2.gz ULLNWEZOXSSGKJ-CHWSQXEVSA-N 0 3 249.354 2.915 40 0 BFABHN O=C1CCC(N2CCc3ccccc3C2)CC1 ZINC000039120335 343385657 /nfs/dbraw/zinc/38/56/57/343385657.db2.gz BYRHPLCFXPSWTK-UHFFFAOYSA-N 0 3 229.323 2.556 40 0 BFABHN Nc1nc2cc(Cl)cc(Br)c2[nH]1 ZINC000238605004 345090030 /nfs/dbraw/zinc/09/00/30/345090030.db2.gz GVOJGYGGWAPZRD-UHFFFAOYSA-N 0 3 246.495 2.561 40 0 BFABHN N[C@H]1CCCOc2ccc(Br)cc21 ZINC000019408216 347219707 /nfs/dbraw/zinc/21/97/07/347219707.db2.gz CHGCHQWOZKAONL-VIFPVBQESA-N 0 3 242.116 2.622 40 0 BFABHN CN(C)[C@H](CN)c1cc(Cl)cc(Cl)c1 ZINC000037424803 348425269 /nfs/dbraw/zinc/42/52/69/348425269.db2.gz SZYDCMVJDVIPMS-SNVBAGLBSA-N 0 3 233.142 2.555 40 0 BFABHN COc1ccc(OC(C)C)c(CNC2CC2)c1 ZINC000034656232 259411441 /nfs/dbraw/zinc/41/14/41/259411441.db2.gz YNBDUMSBETVAJI-UHFFFAOYSA-N 0 3 235.327 2.734 40 0 BFABHN CCN1CCCC[C@H]1c1cc(C)n2ccnc2n1 ZINC000257297272 351044419 /nfs/dbraw/zinc/04/44/19/351044419.db2.gz RGOGZNUROFGEEV-ZDUSSCGKSA-N 0 3 244.342 2.585 40 0 BFABHN CCN1CCCC[C@@H]1c1cc(C)n2ccnc2n1 ZINC000257297271 351044778 /nfs/dbraw/zinc/04/47/78/351044778.db2.gz RGOGZNUROFGEEV-CYBMUJFWSA-N 0 3 244.342 2.585 40 0 BFABHN CCC[C@H](NCC)C(=O)c1ccc(C)cc1 ZINC000003631195 363146935 /nfs/dbraw/zinc/14/69/35/363146935.db2.gz IKIANZXWCBSIGA-ZDUSSCGKSA-N 0 3 219.328 2.956 40 0 in-vitro BFABHN C[C@H](CNCc1ccccc1)C(=O)OC(C)(C)C ZINC000001613184 353434958 /nfs/dbraw/zinc/43/49/58/353434958.db2.gz RFKHZTRHESXVAX-GFCCVEGCSA-N 0 3 249.354 2.754 40 0 BFABHN c1cc(CN2CC[C@@H]2C2CC2)nc2c1CCC2 ZINC000334646401 354436232 /nfs/dbraw/zinc/43/62/32/354436232.db2.gz XDFOEXQZTYSFCU-OAHLLOKOSA-N 0 3 228.339 2.555 40 0 BFABHN N[C@@H]1CN(c2ccccc2)[C@@H]1c1ccccc1 ZINC000224239419 358970832 /nfs/dbraw/zinc/97/08/32/358970832.db2.gz VVQBLBPWBQUFOS-HUUCEWRRSA-N 0 3 224.307 2.575 40 0 BFABHN CCCNc1ncccc1[C@H]1CCCN1C ZINC000072213120 259526268 /nfs/dbraw/zinc/52/62/68/259526268.db2.gz VTZQYRLHYFUEKC-GFCCVEGCSA-N 0 3 219.332 2.670 40 0 BFABHN CC(C)CNc1ncccc1[C@H]1CCCN1C ZINC000072213240 259527274 /nfs/dbraw/zinc/52/72/74/259527274.db2.gz NNHAVFOERAWROM-CYBMUJFWSA-N 0 3 233.359 2.916 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(NC)cc1C ZINC000072219056 259530434 /nfs/dbraw/zinc/53/04/34/259530434.db2.gz KXWBPAZSKQBKOE-CYBMUJFWSA-N 0 3 233.359 2.979 40 0 BFABHN O=C(Nc1ccccc1)OCCN1CCCCC1 ZINC000004832953 182376889 /nfs/dbraw/zinc/37/68/89/182376889.db2.gz WSYSHLQCHIOWNM-UHFFFAOYSA-N 0 3 248.326 2.721 40 0 BFABHN O[C@@H](CNCc1ccsc1)c1ccccc1 ZINC000022076639 183180511 /nfs/dbraw/zinc/18/05/11/183180511.db2.gz IQAQEIUNTHOGDR-ZDUSSCGKSA-N 0 3 233.336 2.571 40 0 BFABHN [O-]c1ccc2c(c1)CC[N+]1=C2CC[C@H]2CCC[C@H]21 ZINC000001718902 183280180 /nfs/dbraw/zinc/28/01/80/183280180.db2.gz AFZUMYMXNCDSQR-IAQYHMDHSA-O 0 3 242.342 2.712 40 0 in-man BFABHN CCCN1CCN(CCC)[C@H]2CCCC[C@@H]21 ZINC000019365565 169202476 /nfs/dbraw/zinc/20/24/76/169202476.db2.gz QLWLQPCFOSNUKV-KBPBESRZSA-N 0 3 224.392 2.735 40 0 BFABHN c1cc2c(cccc2CNCc2ccncc2)[nH]1 ZINC000015423543 183352049 /nfs/dbraw/zinc/35/20/49/183352049.db2.gz UWBRYFYJCBXQJT-UHFFFAOYSA-N 0 3 237.306 2.853 40 0 BFABHN c1cc2c(s1)CCN[C@@H]2Cc1ccncc1 ZINC000096526602 183354767 /nfs/dbraw/zinc/35/47/67/183354767.db2.gz NGJSQAMHFYLJCY-GFCCVEGCSA-N 0 3 230.336 2.573 40 0 BFABHN CCCOc1ccccc1CNC[C@H]1CCCO1 ZINC000020924403 169326525 /nfs/dbraw/zinc/32/65/25/169326525.db2.gz VUJURFLEWVEXGR-CQSZACIVSA-N 0 3 249.354 2.744 40 0 BFABHN CCCOc1ccccc1[C@H](C)NCCOC ZINC000225160545 169328438 /nfs/dbraw/zinc/32/84/38/169328438.db2.gz HWSPQYMUQZUXST-LBPRGKRZSA-N 0 3 237.343 2.772 40 0 BFABHN CCC[C@@H](NC)C(=O)c1ccc2c(c1)CCC2 ZINC000299817368 169399557 /nfs/dbraw/zinc/39/95/57/169399557.db2.gz ZCTUUSNQUQURDL-CQSZACIVSA-N 0 3 231.339 2.746 40 0 in-vitro BFABHN Cc1cc(C)c2nc(Cl)c(CN)cc2c1 ZINC000089261975 383955183 /nfs/dbraw/zinc/95/51/83/383955183.db2.gz TZYDSDWPDZUPTR-UHFFFAOYSA-N 0 3 220.703 2.964 40 0 BFABHN Cc1ccc2cc(CN)c(Cl)nc2c1 ZINC000089261968 383955648 /nfs/dbraw/zinc/95/56/48/383955648.db2.gz XXWWAGHNYINPMH-UHFFFAOYSA-N 0 3 206.676 2.655 40 0 BFABHN CC(C)C[C@H](N)c1nc2cccnc2n1C1CC1 ZINC000088872131 384117392 /nfs/dbraw/zinc/11/73/92/384117392.db2.gz BTYGSVFJZFGJQD-NSHDSACASA-N 0 3 244.342 2.812 40 0 BFABHN CCCCNCc1ccc(OC)cc1OC ZINC000007261704 384175281 /nfs/dbraw/zinc/17/52/81/384175281.db2.gz WNSRQFQVAMQOSB-UHFFFAOYSA-N 0 3 223.316 2.594 40 0 BFABHN CCOc1cc(CNC)cc(Cl)c1OCC ZINC000008253862 384198144 /nfs/dbraw/zinc/19/81/44/384198144.db2.gz ZOJZSVZEBLWDNB-UHFFFAOYSA-N 0 3 243.734 2.857 40 0 BFABHN Cc1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 ZINC000072356991 384210254 /nfs/dbraw/zinc/21/02/54/384210254.db2.gz UATRVSULFIGKJG-CYBMUJFWSA-N 0 3 233.359 2.681 40 0 BFABHN c1ccc([C@H]2CCCN2c2ccncc2)nc1 ZINC000072356931 384210490 /nfs/dbraw/zinc/21/04/90/384210490.db2.gz KTCUKKXOWCASOR-CQSZACIVSA-N 0 3 225.295 2.818 40 0 BFABHN Cc1cncnc1[C@H]1CCCCN1CC1CC1 ZINC000072361358 384212961 /nfs/dbraw/zinc/21/29/61/384212961.db2.gz XGTSLUUYKFLZQW-CYBMUJFWSA-N 0 3 231.343 2.722 40 0 BFABHN CNc1cc([C@@H]2CCN2C2CCCC2)nc(C)n1 ZINC000072387443 384219318 /nfs/dbraw/zinc/21/93/18/384219318.db2.gz VKENRTIGPVBAEE-ZDUSSCGKSA-N 0 3 246.358 2.516 40 0 BFABHN CCc1cccc2cc3c(nc21)O[C@@H](C)CNC3 ZINC000072392277 384220177 /nfs/dbraw/zinc/22/01/77/384220177.db2.gz HKTZEJCBDIVEIO-JTQLQIEISA-N 0 3 242.322 2.668 40 0 BFABHN CN[C@@H](C)c1ccccc1OC(F)F ZINC000021954197 384708799 /nfs/dbraw/zinc/70/87/99/384708799.db2.gz ZGZVCMBNUHRONP-ZETCQYMHSA-N 0 3 201.216 2.568 40 0 BFABHN CC(C)NCc1ccccc1OCCF ZINC000087774244 384846479 /nfs/dbraw/zinc/84/64/79/384846479.db2.gz NDXXKCZNDHIACM-UHFFFAOYSA-N 0 3 211.280 2.533 40 0 BFABHN CCOc1c(C)cccc1CNC1CC1 ZINC000095094837 384962375 /nfs/dbraw/zinc/96/23/75/384962375.db2.gz OJHIAFUGRWJDAH-UHFFFAOYSA-N 0 3 205.301 2.646 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(C)nc1 ZINC000072211253 385067156 /nfs/dbraw/zinc/06/71/56/385067156.db2.gz SHTLUNYUAGFTIH-ZDUSSCGKSA-N 0 3 204.317 2.937 40 0 BFABHN COc1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072211664 385072743 /nfs/dbraw/zinc/07/27/43/385072743.db2.gz QCYODRFILJSDMQ-GFCCVEGCSA-N 0 3 220.316 2.636 40 0 BFABHN C=Cc1ccc(N2CCN(C(C)C)CC2)nc1C ZINC000072224762 385118947 /nfs/dbraw/zinc/11/89/47/385118947.db2.gz DPNQDIWCSPOGET-UHFFFAOYSA-N 0 3 245.370 2.563 40 0 BFABHN N[C@@H](c1ccccc1)c1ccc(NC2CC2)nc1 ZINC000072225706 385124666 /nfs/dbraw/zinc/12/46/66/385124666.db2.gz SVKSCYJSIBETBK-HNNXBMFYSA-N 0 3 239.322 2.704 40 0 BFABHN COc1ccc([C@H]2CCCN2C(C)C)c(C)n1 ZINC000072218076 385089907 /nfs/dbraw/zinc/08/99/07/385089907.db2.gz XMOMAAZJAIUDBG-CYBMUJFWSA-N 0 3 234.343 2.944 40 0 BFABHN COc1ncc([C@@H]2CCCN2C(C)C)cc1C ZINC000072217720 385090536 /nfs/dbraw/zinc/09/05/36/385090536.db2.gz HAWDKJNRBZIGBP-ZDUSSCGKSA-N 0 3 234.343 2.944 40 0 BFABHN COc1ncc([C@H]2CCCN2C(C)C)cc1C ZINC000072217721 385091037 /nfs/dbraw/zinc/09/10/37/385091037.db2.gz HAWDKJNRBZIGBP-CYBMUJFWSA-N 0 3 234.343 2.944 40 0 BFABHN CCCN1CCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217723 385091433 /nfs/dbraw/zinc/09/14/33/385091433.db2.gz DUHWBEWYIXQRNT-ZDUSSCGKSA-N 0 3 234.343 2.946 40 0 BFABHN CCN1CCC[C@H]1c1cccnc1N1CCCC1 ZINC000072215974 385093002 /nfs/dbraw/zinc/09/30/02/385093002.db2.gz LHBBHPZCXGISLF-AWEZNQCLSA-N 0 3 245.370 2.839 40 0 BFABHN COc1cc(C)c([C@@H]2CCCN2C(C)C)cn1 ZINC000072218015 385093317 /nfs/dbraw/zinc/09/33/17/385093317.db2.gz SEOXTVWXHIWEIS-ZDUSSCGKSA-N 0 3 234.343 2.944 40 0 BFABHN Cc1cc(Cl)ncc1[C@H]1CCCCN1 ZINC000072217853 385094110 /nfs/dbraw/zinc/09/41/10/385094110.db2.gz XZUFXNBGYBPEGF-SNVBAGLBSA-N 0 3 210.708 2.858 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(NC)c(C)c1 ZINC000072218971 385103616 /nfs/dbraw/zinc/10/36/16/385103616.db2.gz RFUAFGRAVIOBIP-GFCCVEGCSA-N 0 3 219.332 2.589 40 0 BFABHN Cc1cc(N2CCCC2)ncc1[C@@H]1CCCN1C ZINC000072218845 385104426 /nfs/dbraw/zinc/10/44/26/385104426.db2.gz FSDDOLKUFFICJH-AWEZNQCLSA-N 0 3 245.370 2.757 40 0 BFABHN CCN1CCCC[C@H]1c1cnc(NC)c(C)c1 ZINC000072218997 385104429 /nfs/dbraw/zinc/10/44/29/385104429.db2.gz XKDZOOQNKZJHEH-ZDUSSCGKSA-N 0 3 233.359 2.979 40 0 BFABHN Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C ZINC000072218755 385105565 /nfs/dbraw/zinc/10/55/65/385105565.db2.gz GJNNQIXERKLWCK-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN COc1ccc([C@H]2CCCCN2C)cc1 ZINC000072221509 385106348 /nfs/dbraw/zinc/10/63/48/385106348.db2.gz KSVIBVRZHTZGFY-CYBMUJFWSA-N 0 3 205.301 2.852 40 0 BFABHN c1ccc2sc(NCCN3CCCC3)nc2c1 ZINC000004968547 385181425 /nfs/dbraw/zinc/18/14/25/385181425.db2.gz NNJQINVVFIUSMB-UHFFFAOYSA-N 0 3 247.367 2.804 40 0 BFABHN CC(C)c1ccccc1NC(=O)CNC1CC1 ZINC000037386694 385642874 /nfs/dbraw/zinc/64/28/74/385642874.db2.gz BOHRKDKBCDNLRE-UHFFFAOYSA-N 0 3 232.327 2.501 40 0 BFABHN Cc1cc(-c2cc([C@@H]3CCCN3C)ccn2)n[nH]1 ZINC000257269465 385757810 /nfs/dbraw/zinc/75/78/10/385757810.db2.gz MQBCWYOSHAQBEM-AWEZNQCLSA-N 0 3 242.326 2.547 40 0 BFABHN c1ccc2c(c1)nccc2[C@H]1CSCCN1 ZINC000306145949 385994637 /nfs/dbraw/zinc/99/46/37/385994637.db2.gz WZLDEEKAZZHEME-CYBMUJFWSA-N 0 3 230.336 2.612 40 0 BFABHN CCN(CC)[C@H](CN)c1c(F)cccc1Cl ZINC000019796254 386174889 /nfs/dbraw/zinc/17/48/89/386174889.db2.gz CQXUFPOTBVQJCP-LLVKDONJSA-N 0 3 244.741 2.821 40 0 BFABHN COc1cccc(OC)c1[C@H]1CCCCN1 ZINC000003734613 386835569 /nfs/dbraw/zinc/83/55/69/386835569.db2.gz IZWNTQGOMAUBLP-SNVBAGLBSA-N 0 3 221.300 2.518 40 0 BFABHN CC(C)n1nccc1CNCCc1ccccc1 ZINC000256055211 387863230 /nfs/dbraw/zinc/86/32/30/387863230.db2.gz ZTHBGDSQQRSFSP-UHFFFAOYSA-N 0 3 243.354 2.796 40 0 BFABHN CC(C)N1CC[C@H](OC(=O)Nc2ccccc2)C1 ZINC000001569160 167027893 /nfs/dbraw/zinc/02/78/93/167027893.db2.gz WNCJMZVHWSLECL-ZDUSSCGKSA-N 0 3 248.326 2.718 40 0 BFABHN CCC(=O)[C@@H](CCN(C)C)c1ccccc1 ZINC000001593288 168252392 /nfs/dbraw/zinc/25/23/92/168252392.db2.gz ZFQTWPRJPYNFEC-ZDUSSCGKSA-N 0 3 219.328 2.701 40 0 BFABHN CCN[C@@H](CC)c1cccc(OC)c1OC ZINC000147002087 170144267 /nfs/dbraw/zinc/14/42/67/170144267.db2.gz GGSGZHSZKMZPPU-NSHDSACASA-N 0 3 223.316 2.764 40 0 BFABHN CCOC(=O)CC1(NCc2ccccc2)CCC1 ZINC000259863360 170198291 /nfs/dbraw/zinc/19/82/91/170198291.db2.gz AMSWIMSSZHYILM-UHFFFAOYSA-N 0 3 247.338 2.652 40 0 BFABHN CC[C@@](C)(O)CCCCCC1C=CC(=O)O1 ZINC000014490832 171178859 /nfs/dbraw/zinc/17/88/59/171178859.db2.gz SYVFGLXUEAXFAP-DGCLKSJQSA-N 0 3 226.316 2.580 40 0 biogenic,in-vitro BFABHN COCCCNCc1ccccc1OC(C)C ZINC000033466316 174248476 /nfs/dbraw/zinc/24/84/76/174248476.db2.gz OGGUNGULUPDNKX-UHFFFAOYSA-N 0 3 237.343 2.600 40 0 BFABHN COCCN[C@H](C)c1ccccc1OC(C)C ZINC000225160640 174340054 /nfs/dbraw/zinc/34/00/54/174340054.db2.gz BJNHXCMKWHDUJJ-GFCCVEGCSA-N 0 3 237.343 2.771 40 0 BFABHN C[C@@H](c1cccc(Cl)c1)N1CCC[C@H](O)C1 ZINC000043220489 176017792 /nfs/dbraw/zinc/01/77/92/176017792.db2.gz JWCOLZVFSATOJX-GWCFXTLKSA-N 0 3 239.746 2.858 40 0 BFABHN C[C@@H]1CCCCN1Cc1cccc(C=O)c1 ZINC000095738620 176072888 /nfs/dbraw/zinc/07/28/88/176072888.db2.gz LFKSENBXQNHAGH-GFCCVEGCSA-N 0 3 217.312 2.874 40 0 BFABHN C[C@@H]1CCCN(Cc2ccccc2C=O)C1 ZINC000095738629 176101194 /nfs/dbraw/zinc/10/11/94/176101194.db2.gz SISUHXOCDSOAEI-GFCCVEGCSA-N 0 3 217.312 2.731 40 0 BFABHN C[C@H](c1cccc(Cl)c1)N(CCO)C1CC1 ZINC000079421120 177036948 /nfs/dbraw/zinc/03/69/48/177036948.db2.gz ZXPFSCLOIHDLLL-SNVBAGLBSA-N 0 3 239.746 2.858 40 0 BFABHN CC[C@@H]1Cc2[nH]ccc2[C@H](C(C)C)N1C ZINC000260825815 323128615 /nfs/dbraw/zinc/12/86/15/323128615.db2.gz FJMCVKFCWPJSRX-MFKMUULPSA-N 0 3 206.333 2.978 40 0 BFABHN CCCN1CCc2[nH]ccc2[C@H]1C(C)C ZINC000260825868 323128677 /nfs/dbraw/zinc/12/86/77/323128677.db2.gz JSHQBIDFDDFINF-CYBMUJFWSA-N 0 3 206.333 2.980 40 0 BFABHN CCN(C)C(=O)Oc1cccc(C(C)N(C)C)c1 ZINC001560410038 991471373 /nfs/dbraw/zinc/47/13/73/991471373.db2.gz SYZKBDPIKWPTEH-UHFFFAOYSA-N 0 3 249.334 2.599 40 0 BFABHN Cc1cc(Nc2ccnc(Cl)n2)ccn1 ZINC000038579813 178193777 /nfs/dbraw/zinc/19/37/77/178193777.db2.gz CCSHDESTZBCYLC-UHFFFAOYSA-N 0 3 220.663 2.577 40 0 BFABHN Cc1cc2cc3c(nc2cc1C)O[C@H](C)CNC3 ZINC000019126616 178296384 /nfs/dbraw/zinc/29/63/84/178296384.db2.gz PLPYCFIXJUQIDO-LLVKDONJSA-N 0 3 242.322 2.722 40 0 BFABHN CC(C)N(C(C)C)P1OC[C@H](C)O1 ZINC000001560421 342702867 /nfs/dbraw/zinc/70/28/67/342702867.db2.gz GSMHVHZJGLRSDI-LLTODGECSA-N 0 3 205.238 2.767 40 0 BFABHN FC(F)Oc1cccc(CNC2CC2)c1 ZINC000034816783 342731941 /nfs/dbraw/zinc/73/19/41/342731941.db2.gz QTNLZLNYXYPRPE-UHFFFAOYSA-N 0 3 213.227 2.540 40 0 BFABHN Cc1ccc([C@H](O)[C@H](N)c2ccccc2)cc1 ZINC000005546217 342765922 /nfs/dbraw/zinc/76/59/22/342765922.db2.gz CPTGAOPLCQIBTJ-CABCVRRESA-N 0 3 227.307 2.728 40 0 BFABHN CC[C@@H](C)NCc1cccc(OC)c1OC ZINC000008326023 342797833 /nfs/dbraw/zinc/79/78/33/342797833.db2.gz FPJIJINMLJVALZ-SNVBAGLBSA-N 0 3 223.316 2.592 40 0 BFABHN FC(F)COc1cccc(CNC2CC2)c1 ZINC000037755493 342975029 /nfs/dbraw/zinc/97/50/29/342975029.db2.gz QDKILPPMQACFJG-UHFFFAOYSA-N 0 3 227.254 2.583 40 0 BFABHN Cc1nc([C@@]2(C)CCCN(C)C2)c2sccn12 ZINC000585178936 344276176 /nfs/dbraw/zinc/27/61/76/344276176.db2.gz YZZMWJYCDIPNLB-ZDUSSCGKSA-N 0 3 249.383 2.688 40 0 BFABHN CCc1cccc(CC)c1NC(=O)CNC1CC1 ZINC000037386684 348411023 /nfs/dbraw/zinc/41/10/23/348411023.db2.gz VYZDCHYIRVNLCI-UHFFFAOYSA-N 0 3 246.354 2.502 40 0 BFABHN Cc1c(Cl)cccc1CN1CCC[C@@H](O)C1 ZINC000038539512 362965758 /nfs/dbraw/zinc/96/57/58/362965758.db2.gz NCKQWSMZYKGVHA-GFCCVEGCSA-N 0 3 239.746 2.605 40 0 BFABHN CC(C)c1ccc(C(=O)CCN(C)C)cc1 ZINC000004903956 191120295 /nfs/dbraw/zinc/12/02/95/191120295.db2.gz RWQGRZQVDTUUGU-UHFFFAOYSA-N 0 3 219.328 2.944 40 0 BFABHN Clc1ccc(-c2noc([C@H]3CCCN3)n2)cc1 ZINC000000325033 363050118 /nfs/dbraw/zinc/05/01/18/363050118.db2.gz LRTKGMLPJDOCKA-SNVBAGLBSA-N 0 3 249.701 2.815 40 0 BFABHN S=C1CC=C(CN2CCCCCC2)O1 ZINC000685936144 538757209 /nfs/dbraw/zinc/75/72/09/538757209.db2.gz HEZCZOHZJMFNCW-UHFFFAOYSA-N 0 3 211.330 2.944 40 0 BFABHN CCOc1ccc([C@H](CO)N2CCCCC2)cc1 ZINC000041303724 358753229 /nfs/dbraw/zinc/75/32/29/358753229.db2.gz GHOCMNIBXIVJIX-HNNXBMFYSA-N 0 3 249.354 2.605 40 0 BFABHN CN1CCC[C@H]1c1cccc(NCC(F)F)n1 ZINC000205697958 368360285 /nfs/dbraw/zinc/36/02/85/368360285.db2.gz SXTPPMITMCYLNV-JTQLQIEISA-N 0 3 241.285 2.525 40 0 BFABHN CCN1CCC[C@H]1c1cc(OC)ccc1OC ZINC000057621051 369401724 /nfs/dbraw/zinc/40/17/24/369401724.db2.gz RJDHXOWPLVSCDD-ZDUSSCGKSA-N 0 3 235.327 2.861 40 0 BFABHN CCCC[C@H](NC)C(=O)c1ccccc1 ZINC000299817090 169012091 /nfs/dbraw/zinc/01/20/91/169012091.db2.gz BHIZKPHLTVLXIV-LBPRGKRZSA-N 0 3 205.301 2.648 40 0 in-vitro BFABHN O[C@@]12CCCC[C@@H]1[C@@H](c1ccc(F)cc1)NCC2 ZINC000013494673 183218163 /nfs/dbraw/zinc/21/81/63/183218163.db2.gz DQJVTBCKCFMOEZ-RBSFLKMASA-N 0 3 249.329 2.781 40 0 BFABHN CC1(C)C[C@H](N)c2ccc(Cl)cc2O1 ZINC000036720536 383907501 /nfs/dbraw/zinc/90/75/01/383907501.db2.gz JGGLVHFQDFNMNK-VIFPVBQESA-N 0 3 211.692 2.901 40 0 BFABHN CN(C)CCC(=O)c1ccccc1C(F)(F)F ZINC000090502433 384053504 /nfs/dbraw/zinc/05/35/04/384053504.db2.gz UMFKUPSJKHHHGM-UHFFFAOYSA-N 0 3 245.244 2.840 40 0 BFABHN CCCCNCc1cccc(OC)c1OCC ZINC000007261730 384175710 /nfs/dbraw/zinc/17/57/10/384175710.db2.gz XUOAWAYRGRXZEV-UHFFFAOYSA-N 0 3 237.343 2.984 40 0 BFABHN Cc1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 ZINC000072356992 384211954 /nfs/dbraw/zinc/21/19/54/384211954.db2.gz UATRVSULFIGKJG-ZDUSSCGKSA-N 0 3 233.359 2.681 40 0 BFABHN C[C@@H](N)c1ccc(C(F)(F)F)nc1Cl ZINC000095715708 384391378 /nfs/dbraw/zinc/39/13/78/384391378.db2.gz VBOBDQRDNMGLBX-SCSAIBSYSA-N 0 3 224.613 2.774 40 0 BFABHN CCOP(=O)(OCC)[C@@H](N)[C@H](C)CC ZINC000001707656 384449824 /nfs/dbraw/zinc/44/98/24/384449824.db2.gz WLXZADYPHWHTPD-RKDXNWHRSA-N 0 3 223.253 2.583 40 0 BFABHN CCOP(=O)(OCC)[C@H](N)[C@@H](C)CC ZINC000001707655 384449943 /nfs/dbraw/zinc/44/99/43/384449943.db2.gz WLXZADYPHWHTPD-IUCAKERBSA-N 0 3 223.253 2.583 40 0 BFABHN CO[C@@H](CN)c1ccc(Cl)cc1Cl ZINC000062711411 384850352 /nfs/dbraw/zinc/85/03/52/384850352.db2.gz JEKKETLJQMYLAY-VIFPVBQESA-N 0 3 220.099 2.640 40 0 BFABHN CCN1CCCC[C@@H]1c1cccnc1C ZINC000072211304 385070008 /nfs/dbraw/zinc/07/00/08/385070008.db2.gz TZBRNZPVMYGCCA-CYBMUJFWSA-N 0 3 204.317 2.937 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(OC)nc1 ZINC000072211679 385071217 /nfs/dbraw/zinc/07/12/17/385071217.db2.gz UPDMWTHFYWSOKG-GFCCVEGCSA-N 0 3 220.316 2.637 40 0 BFABHN CCCN1CCC[C@H]1c1ccc(OC)nc1 ZINC000072211667 385073016 /nfs/dbraw/zinc/07/30/16/385073016.db2.gz DDWBXFINMMRYCA-LBPRGKRZSA-N 0 3 220.316 2.637 40 0 BFABHN CNc1ncccc1[C@H]1CCCN1C(C)C ZINC000072212535 385074759 /nfs/dbraw/zinc/07/47/59/385074759.db2.gz LGOHFEFREHQSCM-GFCCVEGCSA-N 0 3 219.332 2.669 40 0 BFABHN CC(C)Oc1ccc([C@H]2CCCN2C)cn1 ZINC000072211885 385075264 /nfs/dbraw/zinc/07/52/64/385075264.db2.gz PCUFORPUSGQGKU-GFCCVEGCSA-N 0 3 220.316 2.636 40 0 BFABHN CCN1CCCC[C@H]1c1ccc(NC)nc1 ZINC000072212493 385076594 /nfs/dbraw/zinc/07/65/94/385076594.db2.gz UMLLPUJWWCNBES-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CC(C)CNc1ncccc1[C@H]1CCCCN1 ZINC000072213267 385079023 /nfs/dbraw/zinc/07/90/23/385079023.db2.gz MMJOHVDPQJTHNX-CYBMUJFWSA-N 0 3 233.359 2.964 40 0 BFABHN CCNc1ccc([C@@H]2CCCCN2C)cn1 ZINC000072213088 385079659 /nfs/dbraw/zinc/07/96/59/385079659.db2.gz HHTOTOANMRVBDZ-LBPRGKRZSA-N 0 3 219.332 2.670 40 0 BFABHN CC(C)CNc1ccc([C@@H]2CCCN2C)cn1 ZINC000072213299 385079691 /nfs/dbraw/zinc/07/96/91/385079691.db2.gz SSGWODYVFJRHJE-ZDUSSCGKSA-N 0 3 233.359 2.916 40 0 BFABHN CCOc1ccc([C@@H](N)c2ccccc2)c(C)n1 ZINC000072224182 385116183 /nfs/dbraw/zinc/11/61/83/385116183.db2.gz RHOYCOJQJNGKBW-HNNXBMFYSA-N 0 3 242.322 2.837 40 0 BFABHN CCN1CCCC[C@@H]1c1cnc(OC)cc1C ZINC000072218032 385086688 /nfs/dbraw/zinc/08/66/88/385086688.db2.gz BMBUMDDQFHTIAW-CYBMUJFWSA-N 0 3 234.343 2.946 40 0 BFABHN COc1ccc([C@@H]2CCCCN2C)c(C)n1 ZINC000072218090 385089150 /nfs/dbraw/zinc/08/91/50/385089150.db2.gz QJWHRMJAZKAIIA-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN CCN1CCC[C@H]1c1cnc(OC)c(C)c1 ZINC000072217713 385089471 /nfs/dbraw/zinc/08/94/71/385089471.db2.gz CRBBZPCPGOPPJN-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN COc1ccc([C@H]2CCCCN2C)c(C)n1 ZINC000072218091 385089748 /nfs/dbraw/zinc/08/97/48/385089748.db2.gz QJWHRMJAZKAIIA-GFCCVEGCSA-N 0 3 220.316 2.555 40 0 BFABHN COc1ncc([C@@H]2CCCCN2C)cc1C ZINC000072217735 385089775 /nfs/dbraw/zinc/08/97/75/385089775.db2.gz RBWDZKNOHAAYOK-LBPRGKRZSA-N 0 3 220.316 2.555 40 0 BFABHN CSc1ccc([C@@H]2CCCCN2)cn1 ZINC000072216893 385098697 /nfs/dbraw/zinc/09/86/97/385098697.db2.gz JTMBFEGVALICMX-JTQLQIEISA-N 0 3 208.330 2.618 40 0 BFABHN CN1CCCC[C@@H]1c1ccc(=S)[nH]c1 ZINC000072217015 385098840 /nfs/dbraw/zinc/09/88/40/385098840.db2.gz ZXENXLROHJDFGG-SNVBAGLBSA-N 0 3 208.330 2.527 40 0 BFABHN CCN1CCC[C@@H]1c1cnc(N(C)C)c(C)c1 ZINC000072218611 385102214 /nfs/dbraw/zinc/10/22/14/385102214.db2.gz MVZMHDAFOGHOFT-CYBMUJFWSA-N 0 3 233.359 2.613 40 0 BFABHN CNc1ccc([C@@H]2CCCCN2C)c(C)n1 ZINC000072219114 385103463 /nfs/dbraw/zinc/10/34/63/385103463.db2.gz SFOAVQNHPANUAU-LBPRGKRZSA-N 0 3 219.332 2.589 40 0 BFABHN CCN1CCC[C@H]1c1ccc(N(C)C)nc1C ZINC000072218732 385103900 /nfs/dbraw/zinc/10/39/00/385103900.db2.gz BEKOXTWNHIBRFW-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN CCN1CCCC[C@@H]1c1ccc(NC)nc1C ZINC000072219116 385104668 /nfs/dbraw/zinc/10/46/68/385104668.db2.gz AGHWNGQYRIOJLZ-CYBMUJFWSA-N 0 3 233.359 2.979 40 0 BFABHN CCN1CCC[C@H]1c1cnc(N(C)C)cc1C ZINC000072218672 385105319 /nfs/dbraw/zinc/10/53/19/385105319.db2.gz WQXKKEQCJANMHW-ZDUSSCGKSA-N 0 3 233.359 2.613 40 0 BFABHN Cc1nc(N2CCCC2)ccc1[C@@H]1CCCN1C ZINC000072218905 385105594 /nfs/dbraw/zinc/10/55/94/385105594.db2.gz DSKBNCOHDBSCOK-AWEZNQCLSA-N 0 3 245.370 2.757 40 0 BFABHN CCOc1ccc2nc(Cl)c(CN)cc2c1 ZINC000089262007 385194061 /nfs/dbraw/zinc/19/40/61/385194061.db2.gz RFBYAZNLAOJPHQ-UHFFFAOYSA-N 0 3 236.702 2.746 40 0 BFABHN CCCCCNCc1cnc(NCCC)nc1 ZINC000062717690 385723798 /nfs/dbraw/zinc/72/37/98/385723798.db2.gz IHXGOZGJMGAZQD-UHFFFAOYSA-N 0 3 236.363 2.578 40 0 BFABHN C[C@H](c1ccccc1)n1cccc1CN ZINC000223690699 386094710 /nfs/dbraw/zinc/09/47/10/386094710.db2.gz ZIQJLMBUPOBBAJ-LLVKDONJSA-N 0 3 200.285 2.556 40 0 BFABHN NC[C@H](c1cccc(Cl)c1)N1CCCCC1 ZINC000038808895 386142896 /nfs/dbraw/zinc/14/28/96/386142896.db2.gz XPNKTKNBJXYUKL-CYBMUJFWSA-N 0 3 238.762 2.826 40 0 BFABHN Cc1ccc(CNCc2ccccc2)n1C ZINC000226018996 386232644 /nfs/dbraw/zinc/23/26/44/386232644.db2.gz KMBKYAIRQDUDPD-UHFFFAOYSA-N 0 3 214.312 2.623 40 0 BFABHN CCCc1nc2c(s1)[C@H](CC)NCC2 ZINC000218332294 386452843 /nfs/dbraw/zinc/45/28/43/386452843.db2.gz LUIKPAYRWKBVSR-QMMMGPOBSA-N 0 3 210.346 2.692 40 0 BFABHN O=Cc1cccc(CN2CCCCCC2)c1 ZINC000095738921 387004298 /nfs/dbraw/zinc/00/42/98/387004298.db2.gz OEKCHUXGLYFJOL-UHFFFAOYSA-N 0 3 217.312 2.875 40 0 BFABHN CCCn1ccc(CNCCc2ccccc2)n1 ZINC000256053156 387861327 /nfs/dbraw/zinc/86/13/27/387861327.db2.gz QGTKBIUJKKMUFN-UHFFFAOYSA-N 0 3 243.354 2.625 40 0 BFABHN CCCCCNCc1cc(C(F)(F)F)nn1C ZINC000256053790 387862908 /nfs/dbraw/zinc/86/29/08/387862908.db2.gz SWHKYAMESXZNKQ-UHFFFAOYSA-N 0 3 249.280 2.719 40 0 BFABHN CSc1ccc(OCCN2CCCC2)cc1 ZINC000076423028 388667479 /nfs/dbraw/zinc/66/74/79/388667479.db2.gz PSHQIIOAUVYNHJ-UHFFFAOYSA-N 0 3 237.368 2.883 40 0 BFABHN C(N1CCOCC1)C12CC3C[C@H](C1)CC[C@@H](C3)C2 ZINC000012343470 388717463 /nfs/dbraw/zinc/71/74/63/388717463.db2.gz CJUFPPXAFDHYKJ-PJPHBNEVSA-N 0 3 249.398 2.925 40 0 BFABHN c1cncc([C@@H]2CCN[C@H](c3cccnc3)C2)c1 ZINC000004654768 398084602 /nfs/dbraw/zinc/08/46/02/398084602.db2.gz COWQBMIVVHLMNO-DOMZBBRYSA-N 0 3 239.322 2.685 40 0 in-vitro BFABHN CCN[C@H](CC)C(=O)c1ccc(C)cc1 ZINC000071509591 170161152 /nfs/dbraw/zinc/16/11/52/170161152.db2.gz ZTIPDEPKTDPNQE-GFCCVEGCSA-N 0 3 205.301 2.566 40 0 in-vitro BFABHN CC[C@@H]1Cc2[nH]ccc2[C@@H](C(C)C)N1C ZINC000223714656 171143921 /nfs/dbraw/zinc/14/39/21/171143921.db2.gz FJMCVKFCWPJSRX-ZWNOBZJWSA-N 0 3 206.333 2.978 40 0 BFABHN CNCc1c(C)c(C)sc1Br ZINC000218676241 173384463 /nfs/dbraw/zinc/38/44/63/173384463.db2.gz MZNCDFRMZLIZIQ-UHFFFAOYSA-N 0 3 234.162 2.847 40 0 BFABHN C[C@H]1CC(C)(C)NC2=NC(C)(C)CC[C@H]21 ZINC000057990123 177064148 /nfs/dbraw/zinc/06/41/48/177064148.db2.gz UIZGCTCJFKGHAI-UWVGGRQHSA-N 0 3 208.349 2.982 40 0 BFABHN CCC[C@@H](NCC)C(=O)c1ccc(OC)cc1 ZINC000575598497 487862487 /nfs/dbraw/zinc/86/24/87/487862487.db2.gz HUCVECBJRKKMRN-CYBMUJFWSA-N 0 3 235.327 2.656 40 0 in-vitro BFABHN CCCCNCc1cc(-c2ccco2)n(C)n1 ZINC000072226279 520691146 /nfs/dbraw/zinc/69/11/46/520691146.db2.gz MGSQYEIFTYEHNT-UHFFFAOYSA-N 0 3 233.315 2.570 40 0 BFABHN CCc1ccc(CNCc2ccc(OC)cc2)[nH]1 ZINC000226019390 523942116 /nfs/dbraw/zinc/94/21/16/523942116.db2.gz AAOOTZPJEOQFAK-UHFFFAOYSA-N 0 3 244.338 2.876 40 0 BFABHN