smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005771 210098597 /nfs/dbraw/zinc/09/85/97/210098597.db2.gz GWNYATQURCVOGA-XFIJJGBISA-N 0 3 347.543 4.767 40 0 EJABHN C=Cn1cc(CN2CCC(c3cc4c(C)cccc4cn3)CC2)c(C)n1 ZINC000019236696 202001759 /nfs/dbraw/zinc/00/17/59/202001759.db2.gz BAXWCGGJXYOKAU-UHFFFAOYSA-N 0 3 346.478 4.528 40 0 EJABHN O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000031923891 202212914 /nfs/dbraw/zinc/21/29/14/202212914.db2.gz ZRLBPOAWKPNOPZ-XZOQPEGZSA-N 0 3 329.443 4.520 40 0 EJABHN COc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393731 216192580 /nfs/dbraw/zinc/19/25/80/216192580.db2.gz SRVDLGNPZROZRJ-OAHLLOKOSA-N 0 3 337.467 4.888 40 0 EJABHN CCN(CC)CCNCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000022076524 212276899 /nfs/dbraw/zinc/27/68/99/212276899.db2.gz IPIKJQNIAVTUPQ-UHFFFAOYSA-N 0 3 341.282 4.685 40 0 EJABHN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000230018707 242225019 /nfs/dbraw/zinc/22/50/19/242225019.db2.gz WPSGCUBUKCRVEC-KZNAEPCWSA-N 0 3 336.479 4.659 40 0 EJABHN Fc1ccccc1C1(NCc2c[nH]nc2-c2cccs2)CCCC1 ZINC000012116973 211296755 /nfs/dbraw/zinc/29/67/55/211296755.db2.gz GPHQPIGVEFSXQP-UHFFFAOYSA-N 0 3 341.455 4.836 40 0 EJABHN COc1ccccc1C1(NCc2c(C)nc3cc(C)ccn32)CCCC1 ZINC000012116979 211295223 /nfs/dbraw/zinc/29/52/23/211295223.db2.gz XRHVFFREWJVNJE-UHFFFAOYSA-N 0 3 349.478 4.519 40 0 EJABHN FC(F)(F)c1ccc(-c2ccc(OCCN3CCCC3)cc2)cc1 ZINC000000001039 563211377 /nfs/dbraw/zinc/21/13/77/563211377.db2.gz FOCUKKUAGZPPCU-UHFFFAOYSA-N 0 3 335.369 4.847 40 0 in-man EJABHN CC[n+]1c(/C=C/c2ccc([O-])c3ncccc23)ccc2cc(C)ccc21 ZINC000005049323 563519895 /nfs/dbraw/zinc/51/98/95/563519895.db2.gz FMOLZQHQNATYIU-UHFFFAOYSA-O 0 3 341.434 4.880 40 0 EJABHN C=CNCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl ZINC000005235849 563524038 /nfs/dbraw/zinc/52/40/38/563524038.db2.gz YADHPVXALDBIGE-UHFFFAOYSA-N 0 3 346.261 4.667 40 0 EJABHN CC[C@H](C)NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326782 563626941 /nfs/dbraw/zinc/62/69/41/563626941.db2.gz PQXZFTYFTVVGHO-AWEZNQCLSA-N 0 3 333.859 4.816 40 0 EJABHN COc1ccc(C2(NCc3c(C)nc4cc(C)ccn43)CCCC2)cc1 ZINC000012147589 563655161 /nfs/dbraw/zinc/65/51/61/563655161.db2.gz LKSNTLYOYHEHBQ-UHFFFAOYSA-N 0 3 349.478 4.519 40 0 EJABHN Fc1ccc(CNCc2cccc(OCc3ccccc3F)c2)cc1 ZINC000016450076 563812024 /nfs/dbraw/zinc/81/20/24/563812024.db2.gz FBVZQXIOZHEQJV-UHFFFAOYSA-N 0 3 339.385 4.834 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)CC1 ZINC000030944114 563911851 /nfs/dbraw/zinc/91/18/51/563911851.db2.gz FNCNORNEVYYOIM-UHFFFAOYSA-N 0 3 342.527 4.761 40 0 EJABHN N=C1Nc2nc3ccccc3n2[C@@H](C2CCCCCCCCCC2)N1 ZINC000054363787 563932937 /nfs/dbraw/zinc/93/29/37/563932937.db2.gz NNXUGAQFGWAHOL-SFHVURJKSA-N 0 3 339.487 4.615 40 0 EJABHN CO[C@@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21 ZINC000096100186 563979183 /nfs/dbraw/zinc/97/91/83/563979183.db2.gz GDLUJQUMHPMSLY-LJQANCHMSA-N 0 3 327.493 4.682 40 0 EJABHN CN1CCC[C@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266175 563981149 /nfs/dbraw/zinc/98/11/49/563981149.db2.gz FFBAAGIQURPOSY-HNNXBMFYSA-N 0 3 331.843 4.853 40 0 EJABHN Clc1cccc(Oc2ccccc2OCCN2CCCCC2)c1 ZINC000585265714 563981168 /nfs/dbraw/zinc/98/11/68/563981168.db2.gz ZGZOJHMMIAXEET-UHFFFAOYSA-N 0 3 331.843 4.997 40 0 EJABHN CCCCN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214522 563984791 /nfs/dbraw/zinc/98/47/91/563984791.db2.gz PHWHFBXKHRRUPD-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2CC)cn1 ZINC000072214694 563984882 /nfs/dbraw/zinc/98/48/82/563984882.db2.gz NVGHZYPQVGZKLW-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215383 563985238 /nfs/dbraw/zinc/98/52/38/563985238.db2.gz SWHUKGBUQJKKHC-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN CCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215433 563985318 /nfs/dbraw/zinc/98/53/18/563985318.db2.gz OMIWARQJOVQPLL-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN c1ccc(CN2CCC[C@@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216631 563985499 /nfs/dbraw/zinc/98/54/99/563985499.db2.gz QVJYCXWAFZLMSU-OAQYLSRUSA-N 0 3 335.495 4.799 40 0 EJABHN Cc1cc([C@@H]2CCCCN2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218826 563985669 /nfs/dbraw/zinc/98/56/69/563985669.db2.gz QSFPFLFQKYVMHE-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1cc([C@H]2CCCCN2Cc2ccccc2)cnc1N1CCCC1 ZINC000072218827 563985676 /nfs/dbraw/zinc/98/56/76/563985676.db2.gz QSFPFLFQKYVMHE-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1nc(N2CCCC2)ccc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218947 563985713 /nfs/dbraw/zinc/98/57/13/563985713.db2.gz BZCWEIFEUZEXTL-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN CCCCCCNCc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC000007261054 564015414 /nfs/dbraw/zinc/01/54/14/564015414.db2.gz QPBOHJXFGPRQFH-UHFFFAOYSA-N 0 3 329.440 4.793 40 0 EJABHN C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076595 564034226 /nfs/dbraw/zinc/03/42/26/564034226.db2.gz VZRPVBFYVPJKMO-XOBRGWDASA-N 0 3 341.838 4.812 40 0 EJABHN COc1ccc2[nH]cc([C@H]3CCN(Cc4ccccc4Cl)C3)c2c1 ZINC000057744980 564035009 /nfs/dbraw/zinc/03/50/09/564035009.db2.gz HCOHGEBGCABSNC-AWEZNQCLSA-N 0 3 340.854 4.819 40 0 EJABHN CC(C)(C)CC(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000224095506 564041659 /nfs/dbraw/zinc/04/16/59/564041659.db2.gz LOHOFMMOSQABRG-UHFFFAOYSA-N 0 3 330.516 4.617 40 0 EJABHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000224530506 564043029 /nfs/dbraw/zinc/04/30/29/564043029.db2.gz UEIUOSXNSMJRRL-LJQANCHMSA-N 0 3 344.543 4.540 40 0 EJABHN Cc1cccc(CN2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)c1 ZINC000224528276 564043059 /nfs/dbraw/zinc/04/30/59/564043059.db2.gz ADQFVLTWAKNHIG-UHFFFAOYSA-N 0 3 344.543 4.538 40 0 EJABHN O=C(c1ccc(F)cc1)C1CCN(CCCCc2ccccc2)CC1 ZINC000001542568 564065580 /nfs/dbraw/zinc/06/55/80/564065580.db2.gz FTJXZACAQRDRNT-UHFFFAOYSA-N 0 3 339.454 4.743 40 0 in-vitro EJABHN CCc1ccc2oc(C3=CCN(Cc4ccc(C)cc4)CC3)nc2c1 ZINC000226251245 564117262 /nfs/dbraw/zinc/11/72/62/564117262.db2.gz VNAJZZPLOYQBNA-UHFFFAOYSA-N 0 3 332.447 4.988 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 ZINC000038852447 213228358 /nfs/dbraw/zinc/22/83/58/213228358.db2.gz SXDJQMFGPOYURR-UHFFFAOYSA-N 0 3 340.511 4.539 40 0 EJABHN Fc1ccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348835 216160818 /nfs/dbraw/zinc/16/08/18/216160818.db2.gz YMOCWUUGHXYCNJ-IBGZPJMESA-N 0 3 347.437 4.662 40 0 EJABHN CCc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 ZINC000020042338 212096948 /nfs/dbraw/zinc/09/69/48/212096948.db2.gz ISWUHTNGCWEPPX-UHFFFAOYSA-N 0 3 336.479 4.733 40 0 EJABHN C[C@H](CN[C@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456524 212029240 /nfs/dbraw/zinc/02/92/40/212029240.db2.gz NNNZEKCJZYVZOT-RHSMWYFYSA-N 0 3 328.506 4.882 40 0 EJABHN C[C@@H](CN1[C@@H](C)CCC[C@@H]1C)OC(=O)c1ccc(Cl)cc1Cl ZINC000012342218 211353081 /nfs/dbraw/zinc/35/30/81/211353081.db2.gz ZJSORPWYRKFLDQ-AVGNSLFASA-N 0 3 344.282 4.802 40 0 EJABHN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 ZINC000010338736 257860959 /nfs/dbraw/zinc/86/09/59/257860959.db2.gz UTBJPASBOJXBEO-UHFFFAOYSA-N 0 3 346.833 4.717 40 0 EJABHN CN(C)CCOc1ccc(Cc2ccccc2)cc1Cc1ccccc1 ZINC000001718677 563406923 /nfs/dbraw/zinc/40/69/23/563406923.db2.gz PFPURQNLXHBEEL-UHFFFAOYSA-N 0 3 345.486 4.809 40 0 EJABHN CN(C)[C@H]1CCc2c3ccccc3ccc2[C@@H]1OC(=O)c1ccccc1 ZINC000006437269 563567960 /nfs/dbraw/zinc/56/79/60/563567960.db2.gz MABOKCQFSCINST-VXKWHMMOSA-N 0 3 345.442 4.614 40 0 EJABHN O=C(Nc1ccccc1)[C@@H](NC1CCCCC1)c1ccc(Cl)cc1 ZINC000408734322 563633640 /nfs/dbraw/zinc/63/36/40/563633640.db2.gz MZOHFSACIVVPHT-IBGZPJMESA-N 0 3 342.870 4.942 40 0 EJABHN O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCC2)cc1 ZINC000010336711 563647686 /nfs/dbraw/zinc/64/76/86/563647686.db2.gz YTBPNGKKDMHHQL-UHFFFAOYSA-N 0 3 348.368 4.554 40 0 EJABHN c1ccc(COc2ccc3ccccc3c2CNC[C@H]2CCCO2)cc1 ZINC000016480618 563812754 /nfs/dbraw/zinc/81/27/54/563812754.db2.gz BJHKOWYUKIGPPW-HXUWFJFHSA-N 0 3 347.458 4.687 40 0 EJABHN CC[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000044935454 563928530 /nfs/dbraw/zinc/92/85/30/563928530.db2.gz PJCVLTZXEDSIEQ-NRFANRHFSA-N 0 3 336.479 4.554 40 0 EJABHN c1ccc(COc2ccc([C@@H]3CCCN3Cc3ccccc3)cn2)cc1 ZINC000072212009 563984450 /nfs/dbraw/zinc/98/44/50/563984450.db2.gz FITSZYCSTWFXNF-QFIPXVFZSA-N 0 3 344.458 4.998 40 0 EJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214400 563984748 /nfs/dbraw/zinc/98/47/48/563984748.db2.gz DWNPVPOQWAOLTB-MRXNPFEDSA-N 0 3 333.476 4.612 40 0 EJABHN CCCCN1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214402 563984779 /nfs/dbraw/zinc/98/47/79/563984779.db2.gz GGFXOXNCRGPDJF-MRXNPFEDSA-N 0 3 333.476 4.756 40 0 EJABHN CCCCN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214463 563984806 /nfs/dbraw/zinc/98/48/06/563984806.db2.gz ONFCVLSVIBXOBE-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCCCN1CCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214624 563984855 /nfs/dbraw/zinc/98/48/55/563984855.db2.gz YXTRARIHYWFJCB-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214860 563985008 /nfs/dbraw/zinc/98/50/08/563985008.db2.gz ZTZZOACQJFUUBY-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072215142 563985148 /nfs/dbraw/zinc/98/51/48/563985148.db2.gz GLJXFSGZGBTCQP-RDJZCZTQSA-N 0 3 347.503 4.778 40 0 EJABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215338 563985210 /nfs/dbraw/zinc/98/52/10/563985210.db2.gz XWFPXJIVKOBWEQ-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN c1ccc(CN2CCCC[C@@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216068 563985508 /nfs/dbraw/zinc/98/55/08/563985508.db2.gz LMKHHBZXGSURIQ-OAQYLSRUSA-N 0 3 335.495 4.799 40 0 EJABHN C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000002105894 564003733 /nfs/dbraw/zinc/00/37/33/564003733.db2.gz GWNYATQURCVOGA-WQZMEWCLSA-N 0 3 347.543 4.767 40 0 EJABHN CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000224095658 564041703 /nfs/dbraw/zinc/04/17/03/564041703.db2.gz BEGWERSHDIFBFC-GOSISDBHSA-N 0 3 330.516 4.619 40 0 EJABHN O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000031923893 564177448 /nfs/dbraw/zinc/17/74/48/564177448.db2.gz ZRLBPOAWKPNOPZ-GOTSBHOMSA-N 0 3 329.443 4.520 40 0 EJABHN NC/C(=C\c1ccccc1Cl)c1nc(-c2ccccc2)cs1 ZINC000004577676 210225299 /nfs/dbraw/zinc/22/52/99/210225299.db2.gz WUXMMZFQXLVUMH-XNTDXEJSSA-N 0 3 326.852 4.963 40 0 EJABHN C[C@H](OC(=O)C[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000001569401 209760236 /nfs/dbraw/zinc/76/02/36/209760236.db2.gz WWFXXOLLBWVWJA-RXVVDRJESA-N 0 3 337.463 4.908 40 0 EJABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1cccc2ccccc21 ZINC000008300095 291012362 /nfs/dbraw/zinc/01/23/62/291012362.db2.gz HGWZSCZNOJQJHI-RYQLBKOJSA-N 0 3 338.451 4.509 40 0 biogenic,in-vitro EJABHN COc1ccccc1CN1CCC[C@@H](c2cc3ccccc3cn2)C1 ZINC000019570323 202013204 /nfs/dbraw/zinc/01/32/04/202013204.db2.gz LZNTVDJUUFYRPZ-LJQANCHMSA-N 0 3 332.447 4.623 40 0 EJABHN CCOc1c(Cl)cc(Cl)cc1CNCCc1ccc(F)cc1 ZINC000022074752 202078273 /nfs/dbraw/zinc/07/82/73/202078273.db2.gz GXWJRRKDGJZLLE-UHFFFAOYSA-N 0 3 342.241 4.864 40 0 EJABHN Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348796 216161242 /nfs/dbraw/zinc/16/12/42/216161242.db2.gz GYUNEUBTDDNWIM-OAQYLSRUSA-N 0 3 343.474 4.832 40 0 EJABHN Fc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348924 203203233 /nfs/dbraw/zinc/20/32/33/203203233.db2.gz DNJDHSPBBJZVRY-KRWDZBQOSA-N 0 3 347.437 4.662 40 0 EJABHN CCc1ccccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000019932791 212086522 /nfs/dbraw/zinc/08/65/22/212086522.db2.gz SIBOMMLNWQOYLT-UHFFFAOYSA-N 0 3 336.479 4.733 40 0 EJABHN C[C@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456520 212029423 /nfs/dbraw/zinc/02/94/23/212029423.db2.gz NNNZEKCJZYVZOT-PBHICJAKSA-N 0 3 328.506 4.882 40 0 EJABHN Cc1ccc2c(ccc(/C=C\c3cc(C)c4cccnc4c3[O-])[n+]2C)c1 ZINC000004823025 210287884 /nfs/dbraw/zinc/28/78/84/210287884.db2.gz BKZBDFLHSRXTPU-UHFFFAOYSA-O 0 3 341.434 4.705 40 0 EJABHN COc1ccc2c(-c3ccc(OCCN4CCCC4)cc3)coc2c1 ZINC000001716419 563406412 /nfs/dbraw/zinc/40/64/12/563406412.db2.gz NYURFRDXBWWITH-UHFFFAOYSA-N 0 3 337.419 4.583 40 0 EJABHN CCCCCNCc1cccc(OCC)c1OCc1ccccc1 ZINC000007261347 563598334 /nfs/dbraw/zinc/59/83/34/563598334.db2.gz AGCBHVONFDTWKU-UHFFFAOYSA-N 0 3 327.468 4.944 40 0 EJABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCC ZINC000007538056 563605078 /nfs/dbraw/zinc/60/50/78/563605078.db2.gz CJDDUUMOWZSTGJ-UHFFFAOYSA-N 0 3 333.859 4.736 40 0 EJABHN O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCC2)cc1 ZINC000010330555 563647208 /nfs/dbraw/zinc/64/72/08/563647208.db2.gz XZDHCQCSOMWWGU-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN Fc1ccccc1CCNCc1ccccc1OCc1ccccc1 ZINC000016480787 563812801 /nfs/dbraw/zinc/81/28/01/563812801.db2.gz ZRIGRZLTIFXSRR-UHFFFAOYSA-N 0 3 335.422 4.737 40 0 EJABHN Cc1c(C(=O)CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000013769335 563932894 /nfs/dbraw/zinc/93/28/94/563932894.db2.gz DWVYRXCRUOQLHN-AOMKIAJQSA-N 0 3 338.495 4.570 40 0 EJABHN c1coc(CN2CCC3(CCc4cc(-c5cccnc5)ccc43)CC2)c1 ZINC000096100172 563979213 /nfs/dbraw/zinc/97/92/13/563979213.db2.gz UVHIEMMZYRTZPS-UHFFFAOYSA-N 0 3 344.458 4.822 40 0 EJABHN CN1CCC[C@@H](COc2ccccc2Oc2ccc(Cl)cc2)C1 ZINC000585266176 563981159 /nfs/dbraw/zinc/98/11/59/563981159.db2.gz FFBAAGIQURPOSY-OAHLLOKOSA-N 0 3 331.843 4.853 40 0 EJABHN CCCCN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214462 563984742 /nfs/dbraw/zinc/98/47/42/563984742.db2.gz ONFCVLSVIBXOBE-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214859 563984980 /nfs/dbraw/zinc/98/49/80/563984980.db2.gz ZTZZOACQJFUUBY-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072214970 563985059 /nfs/dbraw/zinc/98/50/59/563985059.db2.gz CYNQMNCHHKSXAC-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CC(C)N1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215381 563985181 /nfs/dbraw/zinc/98/51/81/563985181.db2.gz FQZCDVMBIHVDSI-QGZVFWFLSA-N 0 3 345.487 4.531 40 0 EJABHN CC(C)N1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215382 563985187 /nfs/dbraw/zinc/98/51/87/563985187.db2.gz FQZCDVMBIHVDSI-KRWDZBQOSA-N 0 3 345.487 4.531 40 0 EJABHN CCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215323 563985204 /nfs/dbraw/zinc/98/52/04/563985204.db2.gz PSIJHKTZHVLPQS-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN c1ccc(CN2CCC[C@H]2c2ccc(N3CCCCCC3)nc2)cc1 ZINC000072216632 563985520 /nfs/dbraw/zinc/98/55/20/563985520.db2.gz QVJYCXWAFZLMSU-NRFANRHFSA-N 0 3 335.495 4.799 40 0 EJABHN CSc1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010368192 564017321 /nfs/dbraw/zinc/01/73/21/564017321.db2.gz VZAPMDFYOCYTBN-UHFFFAOYSA-N 0 3 340.492 4.647 40 0 EJABHN C[C@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000031923533 564049980 /nfs/dbraw/zinc/04/99/80/564049980.db2.gz BOZCOAZLVQXGKP-XXBNENTESA-N 0 3 331.459 4.811 40 0 EJABHN C[C@@H]([C@@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000031923526 564049991 /nfs/dbraw/zinc/04/99/91/564049991.db2.gz BOZCOAZLVQXGKP-WMZHIEFXSA-N 0 3 331.459 4.811 40 0 EJABHN FC(F)(F)c1cccc([C@H](OCCN2CCCC2)c2ccccc2)c1 ZINC000003640549 210070691 /nfs/dbraw/zinc/07/06/91/210070691.db2.gz OXZBMTDAPMORBJ-LJQANCHMSA-N 0 3 349.396 4.907 40 0 EJABHN Fc1ccccc1-c1cccc([C@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348837 216160479 /nfs/dbraw/zinc/16/04/79/216160479.db2.gz YKNMOIKBNAFJTO-SFHVURJKSA-N 0 3 347.437 4.662 40 0 EJABHN COc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393374 216192341 /nfs/dbraw/zinc/19/23/41/216192341.db2.gz DGBGCXDKPZAEEX-AWEZNQCLSA-N 0 3 335.451 4.642 40 0 EJABHN COc1ccc2[nH]c(-c3ccccc3)c(CN3CCCCC3)c(=O)c2c1 ZINC000009692065 211116895 /nfs/dbraw/zinc/11/68/95/211116895.db2.gz PFONEWCLHFLIKF-UHFFFAOYSA-N 0 3 348.446 4.602 40 0 EJABHN CN(C)[C@@H]1CCc2ccc3ccccc3c2[C@H]1OC(=O)c1ccccc1 ZINC000001569705 563392814 /nfs/dbraw/zinc/39/28/14/563392814.db2.gz KWZQTEDIPXRBIH-IRLDBZIGSA-N 0 3 345.442 4.614 40 0 EJABHN CN(C)[C@H]1CCc2ccc3ccccc3c2[C@H]1OC(=O)c1ccccc1 ZINC000001569704 563392851 /nfs/dbraw/zinc/39/28/51/563392851.db2.gz KWZQTEDIPXRBIH-UNMCSNQZSA-N 0 3 345.442 4.614 40 0 EJABHN Cc1cccc(CN(C)C)c1CC(O)(c1ccccc1)c1ccccc1 ZINC000001632683 563398151 /nfs/dbraw/zinc/39/81/51/563398151.db2.gz AZMGGIOWSZZIJB-UHFFFAOYSA-N 0 3 345.486 4.535 40 0 EJABHN CCC(=O)c1ccc2c(c1)N([C@@H](C)CN(C)C)c1ccccc1S2 ZINC000001678373 563402369 /nfs/dbraw/zinc/40/23/69/563402369.db2.gz DHNARGHLEOUOQR-AWEZNQCLSA-N 0 3 340.492 4.832 40 0 EJABHN CN(C)[C@@H]1CCc2c3ccccc3ccc2[C@H]1OC(=O)c1ccccc1 ZINC000006437242 563568136 /nfs/dbraw/zinc/56/81/36/563568136.db2.gz MABOKCQFSCINST-FGZHOGPDSA-N 0 3 345.442 4.614 40 0 EJABHN CCOc1cc(CNC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008253937 563624699 /nfs/dbraw/zinc/62/46/99/563624699.db2.gz QHMILYPOUQSFGX-UHFFFAOYSA-N 0 3 340.250 4.691 40 0 EJABHN CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010333640 563647163 /nfs/dbraw/zinc/64/71/63/563647163.db2.gz FXOITOWUPOEJKB-UHFFFAOYSA-N 0 3 336.479 4.660 40 0 EJABHN O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCCC2)cc1 ZINC000010336940 563647693 /nfs/dbraw/zinc/64/76/93/563647693.db2.gz SVRSQVAJTVAISS-UHFFFAOYSA-N 0 3 330.431 4.688 40 0 EJABHN Fc1ccc(COc2ccccc2CNCCc2ccccc2)cc1 ZINC000016479396 563812379 /nfs/dbraw/zinc/81/23/79/563812379.db2.gz IDVVPZQSBVQCTP-UHFFFAOYSA-N 0 3 335.422 4.737 40 0 EJABHN O=C(Nc1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1 ZINC000039772448 563900437 /nfs/dbraw/zinc/90/04/37/563900437.db2.gz NNFGCUPLSNGREB-UHFFFAOYSA-N 0 3 344.458 4.691 40 0 EJABHN CCc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)o1 ZINC000043277895 563925684 /nfs/dbraw/zinc/92/56/84/563925684.db2.gz VNNALVAURUFXHW-UHFFFAOYSA-N 0 3 343.496 4.501 40 0 EJABHN CCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215324 563985223 /nfs/dbraw/zinc/98/52/23/563985223.db2.gz PSIJHKTZHVLPQS-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN c1ccc(CN2CCCC[C@@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216128 563985496 /nfs/dbraw/zinc/98/54/96/563985496.db2.gz TXJVYQRUGVRPAO-OAQYLSRUSA-N 0 3 335.495 4.799 40 0 EJABHN Cc1nc(N2CCCc3ccccc32)ccc1[C@H](N)c1ccccc1 ZINC000072224968 563985855 /nfs/dbraw/zinc/98/58/55/563985855.db2.gz NTDKWKSJGHHPMJ-JOCHJYFZSA-N 0 3 329.447 4.522 40 0 EJABHN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000005969219 564014372 /nfs/dbraw/zinc/01/43/72/564014372.db2.gz CNTMAGNCBCMPGD-UHFFFAOYSA-N 0 3 342.870 4.887 40 0 EJABHN COc1cc2c(cc1OC)[C@H](CCc1ccc(Cl)cc1)N(C)CC2 ZINC000000000485 564041928 /nfs/dbraw/zinc/04/19/28/564041928.db2.gz YBCPYHQFUMNOJG-SFHVURJKSA-N 0 3 345.870 4.519 40 0 in-man EJABHN Cc1ccc(CN2CCC(C(=O)NC(C)(C)CC(C)(C)C)CC2)cc1 ZINC000224530300 564043051 /nfs/dbraw/zinc/04/30/51/564043051.db2.gz CGPTUBHIDULQDI-UHFFFAOYSA-N 0 3 344.543 4.538 40 0 EJABHN Fc1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 ZINC000035442905 564083533 /nfs/dbraw/zinc/08/35/33/564083533.db2.gz FHERDDJXPCXICG-ZDUSSCGKSA-N 0 3 330.790 4.610 40 0 biogenic,in-vitro EJABHN C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030866768 202200402 /nfs/dbraw/zinc/20/04/02/202200402.db2.gz LYHKDNBYXQTMKZ-GOSISDBHSA-N 0 3 348.490 4.510 40 0 EJABHN CCOc1cc(O)cc([C@@H](Cc2ccccc2)NCc2ccccc2)c1 ZINC000031923718 202213539 /nfs/dbraw/zinc/21/35/39/202213539.db2.gz VELFDPIFGLOMIY-HSZRJFAPSA-N 0 3 347.458 4.865 40 0 EJABHN Clc1cccc(CNCCCc2nc3ccccc3[nH]2)c1Cl ZINC000035287275 213018369 /nfs/dbraw/zinc/01/83/69/213018369.db2.gz FNJAVPOGMOMPBA-UHFFFAOYSA-N 0 3 334.250 4.592 40 0 EJABHN Fc1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348925 216160559 /nfs/dbraw/zinc/16/05/59/216160559.db2.gz KBLNUCCYFBCFJU-SFHVURJKSA-N 0 3 347.437 4.662 40 0 EJABHN CN(C)CCN(Cc1cccs1)Cc1ccc(Cl)cc1Cl ZINC000023247844 212363617 /nfs/dbraw/zinc/36/36/17/212363617.db2.gz ZFDNUGCCWVYSJR-UHFFFAOYSA-N 0 3 343.323 4.619 40 0 EJABHN Cc1cc2c(cc1CNC1(c3ccc(Cl)cc3)CCC1)OCO2 ZINC000012361785 211355780 /nfs/dbraw/zinc/35/57/80/211355780.db2.gz BIAIBBSBRXDDQP-UHFFFAOYSA-N 0 3 329.827 4.546 40 0 EJABHN CN(C)CCSC(=O)N1c2ccccc2C(C)(C)c2ccccc21 ZINC000000001038 521806084 /nfs/dbraw/zinc/80/60/84/521806084.db2.gz QXRUCDDVUMKOPI-UHFFFAOYSA-N 0 3 340.492 4.879 40 0 in-man EJABHN CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2N(C)C ZINC000004975125 563516661 /nfs/dbraw/zinc/51/66/61/563516661.db2.gz AWZOSLOOJDUKIT-KRWDZBQOSA-N 0 3 335.234 4.583 40 0 EJABHN CCn1ncc(CN(CCc2ccccc2)Cc2cccs2)c1C ZINC000012291807 563657332 /nfs/dbraw/zinc/65/73/32/563657332.db2.gz KWXQAXCPXOWSDU-UHFFFAOYSA-N 0 3 339.508 4.518 40 0 EJABHN Cc1ccc(-c2nnc([C@@H]3CCCN3CC3CCCCC3)o2)s1 ZINC000060016740 563949512 /nfs/dbraw/zinc/94/95/12/563949512.db2.gz SOLCJGSERISRDY-HNNXBMFYSA-N 0 3 331.485 4.824 40 0 EJABHN CN1CCC[C@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266246 563981140 /nfs/dbraw/zinc/98/11/40/563981140.db2.gz XSNVOEVYVIXECG-HNNXBMFYSA-N 0 3 331.843 4.853 40 0 EJABHN CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1)C1CCCC1 ZINC000072215635 563984379 /nfs/dbraw/zinc/98/43/79/563984379.db2.gz DOPSODROKTXFPQ-QGZVFWFLSA-N 0 3 345.487 4.580 40 0 EJABHN c1ccc(COc2ccc([C@H]3CCCN3Cc3ccccc3)cn2)cc1 ZINC000072212008 563984464 /nfs/dbraw/zinc/98/44/64/563984464.db2.gz FITSZYCSTWFXNF-JOCHJYFZSA-N 0 3 344.458 4.998 40 0 EJABHN CCCCN1CCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214804 563984914 /nfs/dbraw/zinc/98/49/14/563984914.db2.gz UQSBIEQAUXXFJN-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072214857 563985017 /nfs/dbraw/zinc/98/50/17/563985017.db2.gz XTBLHYOCGLBWKN-QGZVFWFLSA-N 0 3 347.503 4.777 40 0 EJABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072214969 563985036 /nfs/dbraw/zinc/98/50/36/563985036.db2.gz CYNQMNCHHKSXAC-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CC(C)N1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215321 563985213 /nfs/dbraw/zinc/98/52/13/563985213.db2.gz UOKFWWIALNJGJJ-QGZVFWFLSA-N 0 3 345.487 4.531 40 0 EJABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215384 563985229 /nfs/dbraw/zinc/98/52/29/563985229.db2.gz SWHUKGBUQJKKHC-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215457 563985307 /nfs/dbraw/zinc/98/53/07/563985307.db2.gz WGMWVMSCMGZMBR-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2)cn1)C1CCCC1 ZINC000072215575 563985379 /nfs/dbraw/zinc/98/53/79/563985379.db2.gz AWYAJPGLBAXHPW-QGZVFWFLSA-N 0 3 345.487 4.580 40 0 EJABHN c1ccc(CN2CCCC[C@H]2c2cccnc2N2CCCCC2)cc1 ZINC000072216129 563985481 /nfs/dbraw/zinc/98/54/81/563985481.db2.gz TXJVYQRUGVRPAO-NRFANRHFSA-N 0 3 335.495 4.799 40 0 EJABHN Cc1nc(N2CCCc3ccccc32)ccc1[C@@H](N)c1ccccc1 ZINC000072224969 563985884 /nfs/dbraw/zinc/98/58/84/563985884.db2.gz NTDKWKSJGHHPMJ-QFIPXVFZSA-N 0 3 329.447 4.522 40 0 EJABHN COc1cccc(CNC(C)(C)C)c1OCc1ccccc1Cl ZINC000006882593 564015198 /nfs/dbraw/zinc/01/51/98/564015198.db2.gz QXYYQUUEOTXVEO-UHFFFAOYSA-N 0 3 333.859 4.816 40 0 EJABHN C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556110 564018613 /nfs/dbraw/zinc/01/86/13/564018613.db2.gz GWNYATQURCVOGA-GZMOKQHVSA-N 0 3 347.543 4.767 40 0 EJABHN Cc1ccc2oc([C@H]3CCN(Cc4cnc5ccccc5c4)C3)nc2c1 ZINC000049168833 564032526 /nfs/dbraw/zinc/03/25/26/564032526.db2.gz YQWSEHBOTRWGLU-SFHVURJKSA-N 0 3 343.430 4.674 40 0 biogenic,in-vitro EJABHN C[C@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076591 564034217 /nfs/dbraw/zinc/03/42/17/564034217.db2.gz VZRPVBFYVPJKMO-VBKZILBWSA-N 0 3 341.838 4.812 40 0 EJABHN CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000224331104 564042431 /nfs/dbraw/zinc/04/24/31/564042431.db2.gz YIGCPSKLMAROCQ-IBGZPJMESA-N 0 3 344.543 4.865 40 0 EJABHN Fc1ccc2oc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000035446899 564083552 /nfs/dbraw/zinc/08/35/52/564083552.db2.gz PJMKCPOXLPKRES-ZDUSSCGKSA-N 0 3 330.790 4.610 40 0 biogenic,in-vitro EJABHN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCC2)cc1 ZINC000010333133 564127754 /nfs/dbraw/zinc/12/77/54/564127754.db2.gz RXSBINFXHFLVCT-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCC2)cc1 ZINC000010357401 564127767 /nfs/dbraw/zinc/12/77/67/564127767.db2.gz FYXBPVPZHUBXCT-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000038773214 213225241 /nfs/dbraw/zinc/22/52/41/213225241.db2.gz GKDSPYHSVNMXJU-UHFFFAOYSA-N 0 3 342.870 4.824 40 0 EJABHN Fc1ccccc1-c1cccc([C@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348801 216161076 /nfs/dbraw/zinc/16/10/76/216161076.db2.gz SEDZGKUARVGQTB-SFHVURJKSA-N 0 3 347.437 4.662 40 0 EJABHN Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348926 216161158 /nfs/dbraw/zinc/16/11/58/216161158.db2.gz KBLNUCCYFBCFJU-GOSISDBHSA-N 0 3 347.437 4.662 40 0 EJABHN CCn1c2ccccc2c2cc(CNC[C@@H](O)c3ccccc3)ccc21 ZINC000022076208 212276556 /nfs/dbraw/zinc/27/65/56/212276556.db2.gz ZNJQJKYNVCKKJV-HSZRJFAPSA-N 0 3 344.458 4.638 40 0 EJABHN Cc1cc(/C=C\C2=[N+](C)c3ccccc3C2(C)C)c([O-])c2ncccc12 ZINC000004919505 210323585 /nfs/dbraw/zinc/32/35/85/210323585.db2.gz UFFRGWXWWPRXTQ-UHFFFAOYSA-O 0 3 343.450 4.968 40 0 EJABHN CC(C)CN1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214460 257689748 /nfs/dbraw/zinc/68/97/48/257689748.db2.gz UYEGIPATYIFYGT-QGZVFWFLSA-N 0 3 347.503 4.636 40 0 EJABHN C[C@@H](OC(=O)C[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000001569404 563392769 /nfs/dbraw/zinc/39/27/69/563392769.db2.gz WWFXXOLLBWVWJA-WIYYLYMNSA-N 0 3 337.463 4.908 40 0 EJABHN CN(C)[C@@H]1CCc2ccc3ccccc3c2[C@@H]1OC(=O)c1ccccc1 ZINC000001569707 563392873 /nfs/dbraw/zinc/39/28/73/563392873.db2.gz KWZQTEDIPXRBIH-IFMALSPDSA-N 0 3 345.442 4.614 40 0 EJABHN CCCCCCC(N)(CCCCCC)C(=O)Nn1c(C)ccc1C ZINC000005782574 563550045 /nfs/dbraw/zinc/55/00/45/563550045.db2.gz SYDFYTUGXOUCAB-UHFFFAOYSA-N 0 3 335.536 4.813 40 0 EJABHN CN(C)[C@H]1CCc2c3ccccc3ccc2[C@H]1OC(=O)c1ccccc1 ZINC000006437270 563567969 /nfs/dbraw/zinc/56/79/69/563567969.db2.gz MABOKCQFSCINST-FCHUYYIVSA-N 0 3 345.442 4.614 40 0 EJABHN CC[C@@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326026 563626564 /nfs/dbraw/zinc/62/65/64/563626564.db2.gz BCEFZMJGUVIFCC-CQSZACIVSA-N 0 3 333.859 4.816 40 0 EJABHN COc1cc(CNCc2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000008550151 563632306 /nfs/dbraw/zinc/63/23/06/563632306.db2.gz MERZZZCPASJELC-UHFFFAOYSA-N 0 3 347.458 4.872 40 0 EJABHN COc1cc(CNCc2ccccc2)ccc1OCc1cccc(C)c1 ZINC000016349360 563809264 /nfs/dbraw/zinc/80/92/64/563809264.db2.gz LLBFUJWAOHIZIX-UHFFFAOYSA-N 0 3 347.458 4.872 40 0 EJABHN Fc1ccc(CNCc2cccc(OCc3ccc(F)cc3)c2)cc1 ZINC000016399584 563810532 /nfs/dbraw/zinc/81/05/32/563810532.db2.gz TZUVMDMYXTZMMA-UHFFFAOYSA-N 0 3 339.385 4.834 40 0 EJABHN N=C1Nc2nc3ccccc3n2[C@H](C2CCCCCCCCCC2)N1 ZINC000054363785 563932858 /nfs/dbraw/zinc/93/28/58/563932858.db2.gz NNXUGAQFGWAHOL-GOSISDBHSA-N 0 3 339.487 4.615 40 0 EJABHN C[C@@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867330 563973999 /nfs/dbraw/zinc/97/39/99/563973999.db2.gz GWNYATQURCVOGA-VELGLUOQSA-N 0 3 347.543 4.767 40 0 EJABHN CO[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 ZINC000096100194 563979204 /nfs/dbraw/zinc/97/92/04/563979204.db2.gz MQNRSTFMNOKCLC-OAQYLSRUSA-N 0 3 339.454 4.759 40 0 EJABHN CCCCN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214342 563984731 /nfs/dbraw/zinc/98/47/31/563984731.db2.gz NBVJOEGQUUHYNH-MRXNPFEDSA-N 0 3 333.476 4.756 40 0 EJABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(C)C)cn1 ZINC000072214638 563984828 /nfs/dbraw/zinc/98/48/28/563984828.db2.gz XQMYNHXSBAPFDD-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(C)C)cn1 ZINC000072214639 563984852 /nfs/dbraw/zinc/98/48/52/563984852.db2.gz XQMYNHXSBAPFDD-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN CCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214920 563985051 /nfs/dbraw/zinc/98/50/51/563985051.db2.gz ZMYXMXQRXRKZNR-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215547 563985276 /nfs/dbraw/zinc/98/52/76/563985276.db2.gz HGRQBAFJBFWAEJ-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN Cc1cc(N2CCCC2)ncc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218886 563985681 /nfs/dbraw/zinc/98/56/81/563985681.db2.gz JBWLFTHCNTYOLO-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN COc1cccc(CNC(C)(C)C)c1OCc1ccc(Cl)cc1 ZINC000006882589 564015205 /nfs/dbraw/zinc/01/52/05/564015205.db2.gz DJLBSGBEXQNADG-UHFFFAOYSA-N 0 3 333.859 4.816 40 0 EJABHN Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000038833561 213228109 /nfs/dbraw/zinc/22/81/09/213228109.db2.gz CMKXJLNDTMBZNS-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000020490818 202045457 /nfs/dbraw/zinc/04/54/57/202045457.db2.gz UQAWOYSLLJVEPP-UHFFFAOYSA-N 0 3 342.870 4.824 40 0 EJABHN COc1ccc(CCNCc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000022076587 202078804 /nfs/dbraw/zinc/07/88/04/202078804.db2.gz AUUDTDGXKPQBMH-UHFFFAOYSA-N 0 3 341.838 4.941 40 0 EJABHN CCN(CC)CCNCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000022076870 212277119 /nfs/dbraw/zinc/27/71/19/212277119.db2.gz NBUMFHHPGRMBMZ-UHFFFAOYSA-N 0 3 341.282 4.685 40 0 EJABHN CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348590 203203441 /nfs/dbraw/zinc/20/34/41/203203441.db2.gz BMIVVMOFVFPHCS-OAHLLOKOSA-N 0 3 334.385 4.500 40 0 EJABHN Clc1ccc(C2(NCc3ccccc3-n3cccn3)CCC2)cc1 ZINC000012361803 211355909 /nfs/dbraw/zinc/35/59/09/211355909.db2.gz SIBKIFVQGQRMPT-UHFFFAOYSA-N 0 3 337.854 4.695 40 0 EJABHN CCc1cc2cc(C)c(C)cc2nc1SCCN1CCCCC1 ZINC000004858662 210303111 /nfs/dbraw/zinc/30/31/11/210303111.db2.gz QTHKUJUKLZCAFS-UHFFFAOYSA-N 0 3 328.525 4.992 40 0 EJABHN Cc1ccc2ccc(/C=C\C3=[N+](C)c4ccccc4C3(C)C)c([O-])c2n1 ZINC000004824330 210289262 /nfs/dbraw/zinc/28/92/62/210289262.db2.gz KUJPMVMZKOSPOE-UHFFFAOYSA-O 0 3 343.450 4.968 40 0 EJABHN O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCC2)cc1 ZINC000010433859 257861066 /nfs/dbraw/zinc/86/10/66/257861066.db2.gz FCKDBPUTJNDQOE-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN C[C@@H](OC(=O)C[C@@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000001569402 563392921 /nfs/dbraw/zinc/39/29/21/563392921.db2.gz WWFXXOLLBWVWJA-NQIIRXRSSA-N 0 3 337.463 4.908 40 0 EJABHN CCOc1cccc(CNC2CCCC2)c1OCc1ccccc1 ZINC000008325499 563626544 /nfs/dbraw/zinc/62/65/44/563626544.db2.gz DKQHXZWCKSZPDY-UHFFFAOYSA-N 0 3 325.452 4.697 40 0 EJABHN O=C(Nc1ccccc1)[C@H](NC1CCCCC1)c1ccc(Cl)cc1 ZINC000408734324 563633645 /nfs/dbraw/zinc/63/36/45/563633645.db2.gz MZOHFSACIVVPHT-LJQANCHMSA-N 0 3 342.870 4.942 40 0 EJABHN COc1ccc(C2(NCc3c[nH]nc3-c3ccccc3)CCCC2)cc1 ZINC000012147624 563654989 /nfs/dbraw/zinc/65/49/89/563654989.db2.gz ZDWCFPPFQTWZKA-UHFFFAOYSA-N 0 3 347.462 4.644 40 0 EJABHN Cc1ccc(Oc2c(F)cccc2OCCN2CCCCC2)cc1 ZINC000585265219 563981108 /nfs/dbraw/zinc/98/11/08/563981108.db2.gz JEHHXIHEZZGVKW-UHFFFAOYSA-N 0 3 329.415 4.791 40 0 EJABHN CCCCN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214523 563984757 /nfs/dbraw/zinc/98/47/57/563984757.db2.gz PHWHFBXKHRRUPD-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CC(C)CN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214401 563984773 /nfs/dbraw/zinc/98/47/73/563984773.db2.gz DWNPVPOQWAOLTB-INIZCTEOSA-N 0 3 333.476 4.612 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072214738 563984888 /nfs/dbraw/zinc/98/48/88/563984888.db2.gz ZNBJJIWFYLTJHO-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN CCCN1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214817 563985004 /nfs/dbraw/zinc/98/50/04/563985004.db2.gz JTGPUQCILAPFEH-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072215141 563985169 /nfs/dbraw/zinc/98/51/69/563985169.db2.gz GLJXFSGZGBTCQP-WBVHZDCISA-N 0 3 347.503 4.778 40 0 EJABHN CC(C)N1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215322 563985194 /nfs/dbraw/zinc/98/51/94/563985194.db2.gz UOKFWWIALNJGJJ-KRWDZBQOSA-N 0 3 345.487 4.531 40 0 EJABHN CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2)cn1)C1CCCC1 ZINC000072215574 563985310 /nfs/dbraw/zinc/98/53/10/563985310.db2.gz AWYAJPGLBAXHPW-KRWDZBQOSA-N 0 3 345.487 4.580 40 0 EJABHN c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216691 563985535 /nfs/dbraw/zinc/98/55/35/563985535.db2.gz KQIIZZICHODSKM-OAQYLSRUSA-N 0 3 335.495 4.799 40 0 EJABHN CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@@H](C)C1 ZINC000004026389 564004692 /nfs/dbraw/zinc/00/46/92/564004692.db2.gz XIHJFMFAIYGPCL-VXSCBNMQSA-N 0 3 347.543 4.933 40 0 EJABHN Fc1ccc(CNCc2ccc(OCc3cccs3)cc2)cc1 ZINC000007523990 564015604 /nfs/dbraw/zinc/01/56/04/564015604.db2.gz XFGFKKUBTYLXHF-UHFFFAOYSA-N 0 3 327.424 4.756 40 0 EJABHN C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@@H](O)c1ccccc1 ZINC000022076589 564034214 /nfs/dbraw/zinc/03/42/14/564034214.db2.gz VZRPVBFYVPJKMO-JLTOFOAXSA-N 0 3 341.838 4.812 40 0 EJABHN CCCC[C@@H](CC)CNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000224528496 564043036 /nfs/dbraw/zinc/04/30/36/564043036.db2.gz ZAWPBJRSXOOYLB-LJQANCHMSA-N 0 3 344.543 4.540 40 0 EJABHN C[C@@H]([C@H](O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000031923531 564050003 /nfs/dbraw/zinc/05/00/03/564050003.db2.gz BOZCOAZLVQXGKP-CVDCTZTESA-N 0 3 331.459 4.811 40 0 EJABHN CN(C)CCOC1(Cc2ccc(F)cc2)CCC(C(C)(C)C)CC1 ZINC000003593045 210060160 /nfs/dbraw/zinc/06/01/60/210060160.db2.gz IPSVMEJXHXKMSE-UHFFFAOYSA-N 0 3 335.507 4.922 40 0 EJABHN O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000031923897 202213734 /nfs/dbraw/zinc/21/37/34/202213734.db2.gz ZRLBPOAWKPNOPZ-PKTZIBPZSA-N 0 3 329.443 4.520 40 0 EJABHN c1cc(-c2nnc([C@@H]3CCCCN3CCc3ccccc3)o2)cs1 ZINC000072390150 216190621 /nfs/dbraw/zinc/19/06/21/216190621.db2.gz NZHBGUWUPSHCME-KRWDZBQOSA-N 0 3 339.464 4.568 40 0 EJABHN CC(C)c1nccn1-c1cccc([C@H]2CCCN2Cc2ccccc2)n1 ZINC000072379086 203211264 /nfs/dbraw/zinc/21/12/64/203211264.db2.gz BTFRQMZLMLUPSI-HXUWFJFHSA-N 0 3 346.478 4.728 40 0 EJABHN CCCNCc1ccc(-c2ccc(Cl)cc2Br)o1 ZINC000020158485 212107285 /nfs/dbraw/zinc/10/72/85/212107285.db2.gz JAGTZKBRUXXCQV-UHFFFAOYSA-N 0 3 328.637 4.862 40 0 EJABHN Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccncc3)C2)n1 ZINC000072348800 203203857 /nfs/dbraw/zinc/20/38/57/203203857.db2.gz SEDZGKUARVGQTB-GOSISDBHSA-N 0 3 347.437 4.662 40 0 EJABHN Cc1ccsc1-c1nnc(C2CCN(Cc3cccs3)CC2)o1 ZINC000019238733 212008642 /nfs/dbraw/zinc/00/86/42/212008642.db2.gz XLVBGLUPFISTES-UHFFFAOYSA-N 0 3 345.493 4.548 40 0 EJABHN c1ccc(CN2CCC[C@H]2c2cccnc2N2CCCCCC2)cc1 ZINC000072216692 257687979 /nfs/dbraw/zinc/68/79/79/257687979.db2.gz KQIIZZICHODSKM-NRFANRHFSA-N 0 3 335.495 4.799 40 0 EJABHN COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccccc1 ZINC000007525178 563604683 /nfs/dbraw/zinc/60/46/83/563604683.db2.gz QRLHTWLABLTKNW-UHFFFAOYSA-N 0 3 347.458 4.872 40 0 EJABHN CCCCc1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 ZINC000010329817 563647159 /nfs/dbraw/zinc/64/71/59/563647159.db2.gz OKEZYIMMZDTPCM-UHFFFAOYSA-N 0 3 336.479 4.877 40 0 EJABHN CC(C)CN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214341 563984681 /nfs/dbraw/zinc/98/46/81/563984681.db2.gz YDMLKMFGJDTJEX-INIZCTEOSA-N 0 3 333.476 4.612 40 0 EJABHN CCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214874 563984974 /nfs/dbraw/zinc/98/49/74/563984974.db2.gz AIEMKWAPIKSUDO-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215339 563985207 /nfs/dbraw/zinc/98/52/07/563985207.db2.gz XWFPXJIVKOBWEQ-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN Cc1nc(N2CCCCC2)ccc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072219269 563985768 /nfs/dbraw/zinc/98/57/68/563985768.db2.gz XKUHDEMVKPZUNL-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000005721240 564014198 /nfs/dbraw/zinc/01/41/98/564014198.db2.gz WPSGCUBUKCRVEC-FGTMMUONSA-N 0 3 336.479 4.659 40 0 EJABHN O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccccc1Cl ZINC000005998254 564014428 /nfs/dbraw/zinc/01/44/28/564014428.db2.gz NLADJVJMXRMBGO-UHFFFAOYSA-N 0 3 328.843 4.578 40 0 EJABHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2ccc(C)cc2)CC1 ZINC000224530548 564043038 /nfs/dbraw/zinc/04/30/38/564043038.db2.gz UEIUOSXNSMJRRL-IBGZPJMESA-N 0 3 344.543 4.540 40 0 EJABHN FC(F)(F)c1cccc([C@@H](OCCN2CCCC2)c2ccccc2)c1 ZINC000003640548 210070740 /nfs/dbraw/zinc/07/07/40/210070740.db2.gz OXZBMTDAPMORBJ-IBGZPJMESA-N 0 3 349.396 4.907 40 0 EJABHN COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000022076537 212276883 /nfs/dbraw/zinc/27/68/83/212276883.db2.gz RRAYZALBTLLDIV-UHFFFAOYSA-N 0 3 341.838 4.941 40 0 EJABHN Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348802 203203111 /nfs/dbraw/zinc/20/31/11/203203111.db2.gz DAKRJXSWRPNPIO-LJQANCHMSA-N 0 3 347.437 4.662 40 0 EJABHN Fc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348838 203203141 /nfs/dbraw/zinc/20/31/41/203203141.db2.gz CLCDALOQQUCTTF-LJQANCHMSA-N 0 3 347.437 4.662 40 0 EJABHN COc1cc(C)c(CN2CCCCC[C@H]2c2cc(C)no2)cc1C ZINC000019567355 212043440 /nfs/dbraw/zinc/04/34/40/212043440.db2.gz GHRJEOOPWOUHFX-SFHVURJKSA-N 0 3 328.456 4.726 40 0 EJABHN C=Cn1ncc(CN2CCC(c3cc4c(C)cccc4cn3)CC2)c1C ZINC000019236699 212007025 /nfs/dbraw/zinc/00/70/25/212007025.db2.gz DGAWNPHVPUXHDD-UHFFFAOYSA-N 0 3 346.478 4.528 40 0 EJABHN Cc1cc([C@@H](N)c2ccccc2)cnc1N1CCCc2ccccc21 ZINC000072222883 257686854 /nfs/dbraw/zinc/68/68/54/257686854.db2.gz SJDPXHKXRVZXMW-NRFANRHFSA-N 0 3 329.447 4.522 40 0 EJABHN CCN(CC)CCOC(=O)N1c2ccccc2Sc2ccccc21 ZINC000001671691 563401668 /nfs/dbraw/zinc/40/16/68/563401668.db2.gz ZZXINSPSKSGPQB-UHFFFAOYSA-N 0 3 342.464 4.768 40 0 EJABHN CCCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000007261662 563598654 /nfs/dbraw/zinc/59/86/54/563598654.db2.gz FNDPDIKCXQRWAD-UHFFFAOYSA-N 0 3 348.284 4.918 40 0 EJABHN Clc1cc(Cl)cc(-c2ccc(CNC[C@@H]3CCCO3)o2)c1 ZINC000007524704 563604323 /nfs/dbraw/zinc/60/43/23/563604323.db2.gz WZMILFPCUVJRPT-AWEZNQCLSA-N 0 3 326.223 4.522 40 0 EJABHN COc1ccc(-c2ccc(CNCCc3ccccc3)o2)cc1Cl ZINC000007539582 563605448 /nfs/dbraw/zinc/60/54/48/563605448.db2.gz ZLMAHTKNVPXJIR-UHFFFAOYSA-N 0 3 341.838 4.941 40 0 EJABHN O=C(Nc1ccc(Cl)cc1)[C@H](NC1CCCCC1)c1ccccc1 ZINC000408734136 563634590 /nfs/dbraw/zinc/63/45/90/563634590.db2.gz KZYJAHUQFLMSAM-LJQANCHMSA-N 0 3 342.870 4.942 40 0 EJABHN Fc1ccccc1COc1cccc(CNCc2cccs2)c1 ZINC000016450084 563812087 /nfs/dbraw/zinc/81/20/87/563812087.db2.gz FCZVQCHXPWBJHE-UHFFFAOYSA-N 0 3 327.424 4.756 40 0 EJABHN C[C@H]1CC2=C(C[C@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867326 563974030 /nfs/dbraw/zinc/97/40/30/563974030.db2.gz GWNYATQURCVOGA-SFFNPBHPSA-N 0 3 347.543 4.767 40 0 EJABHN CO[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccc(C)cc21 ZINC000096100191 563979150 /nfs/dbraw/zinc/97/91/50/563979150.db2.gz APQLROJBCAPUMI-FQEVSTJZSA-N 0 3 325.452 4.521 40 0 EJABHN CO[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)c2ccc(C)cc21 ZINC000096100190 563979187 /nfs/dbraw/zinc/97/91/87/563979187.db2.gz APQLROJBCAPUMI-HXUWFJFHSA-N 0 3 325.452 4.521 40 0 EJABHN Fc1cccc(OCCN2CCCC2)c1Oc1ccc(Cl)cc1 ZINC000585265581 563981131 /nfs/dbraw/zinc/98/11/31/563981131.db2.gz TWWQAYBBPMQBBU-UHFFFAOYSA-N 0 3 335.806 4.746 40 0 EJABHN CC(C)CN1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 ZINC000072214461 563984754 /nfs/dbraw/zinc/98/47/54/563984754.db2.gz UYEGIPATYIFYGT-KRWDZBQOSA-N 0 3 347.503 4.636 40 0 EJABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214572 563984849 /nfs/dbraw/zinc/98/48/49/563984849.db2.gz WEBMAXBFKCSLSH-KRWDZBQOSA-N 0 3 347.503 4.636 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072214677 563984927 /nfs/dbraw/zinc/98/49/27/563984927.db2.gz KEQPNMBJMUFZDF-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CC(C)C ZINC000072214801 563984937 /nfs/dbraw/zinc/98/49/37/563984937.db2.gz NYWBWKJZSPNJBV-KRWDZBQOSA-N 0 3 347.503 4.636 40 0 EJABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072215101 563985109 /nfs/dbraw/zinc/98/51/09/563985109.db2.gz GZJHLFLPPACLTO-NVXWUHKLSA-N 0 3 347.503 4.778 40 0 EJABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CC)cn1 ZINC000072215102 563985133 /nfs/dbraw/zinc/98/51/33/563985133.db2.gz GZJHLFLPPACLTO-DOTOQJQBSA-N 0 3 347.503 4.778 40 0 EJABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072215143 563985166 /nfs/dbraw/zinc/98/51/66/563985166.db2.gz GLJXFSGZGBTCQP-NVXWUHKLSA-N 0 3 347.503 4.778 40 0 EJABHN Cc1cc(N2CCCCC2)ncc1[C@H]1CCCN1Cc1ccccc1 ZINC000072219210 563985744 /nfs/dbraw/zinc/98/57/44/563985744.db2.gz VFSXXYKZHIYWKT-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN O=C(CNC1CCCCC1)N1c2ccccc2Sc2ccccc21 ZINC000000411893 563998080 /nfs/dbraw/zinc/99/80/80/563998080.db2.gz WYFLXQSLHNEEOA-UHFFFAOYSA-N 0 3 338.476 4.738 40 0 EJABHN COc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 ZINC000008474535 564016212 /nfs/dbraw/zinc/01/62/12/564016212.db2.gz JGURBOOQJPVJMU-UHFFFAOYSA-N 0 3 347.458 4.607 40 0 EJABHN Clc1cccc(CN2CC[C@H](c3nc4ccccc4s3)C2)c1 ZINC000049168915 564032572 /nfs/dbraw/zinc/03/25/72/564032572.db2.gz AOQDTMMRYBJYPQ-AWEZNQCLSA-N 0 3 328.868 4.939 40 0 biogenic,in-vitro EJABHN C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076539 564034184 /nfs/dbraw/zinc/03/41/84/564034184.db2.gz OGFNMONHJWTTDB-JLTOFOAXSA-N 0 3 341.838 4.812 40 0 EJABHN C[C@@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076543 564034198 /nfs/dbraw/zinc/03/41/98/564034198.db2.gz OGFNMONHJWTTDB-VLIAUNLRSA-N 0 3 341.838 4.812 40 0 EJABHN COc1ccc2[nH]cc([C@@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744989 564035032 /nfs/dbraw/zinc/03/50/32/564035032.db2.gz DIEHEYPUACOTSS-OAHLLOKOSA-N 0 3 340.854 4.819 40 0 EJABHN O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCc2ccccc2C1 ZINC000031923896 564177456 /nfs/dbraw/zinc/17/74/56/564177456.db2.gz ZRLBPOAWKPNOPZ-DHIUTWEWSA-N 0 3 329.443 4.520 40 0 EJABHN Clc1ccc(Oc2ccccc2OCCN2CCCCC2)cc1 ZINC000003610758 210066009 /nfs/dbraw/zinc/06/60/09/210066009.db2.gz HTKDXOCKHAPJHT-UHFFFAOYSA-N 0 3 331.843 4.997 40 0 EJABHN COc1ccccc1CN1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000019570326 202012431 /nfs/dbraw/zinc/01/24/31/202012431.db2.gz LZNTVDJUUFYRPZ-IBGZPJMESA-N 0 3 332.447 4.623 40 0 EJABHN Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3cccnc3)C2)n1 ZINC000072348836 216160908 /nfs/dbraw/zinc/16/09/08/216160908.db2.gz YKNMOIKBNAFJTO-GOSISDBHSA-N 0 3 347.437 4.662 40 0 EJABHN CC(C)c1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccc2)n1 ZINC000072379085 216181121 /nfs/dbraw/zinc/18/11/21/216181121.db2.gz BTFRQMZLMLUPSI-FQEVSTJZSA-N 0 3 346.478 4.728 40 0 EJABHN COc1ccc([C@@H](C)N(C)Cc2c3cccnc3[nH]c2C2CC2)cc1 ZINC000072393375 216193218 /nfs/dbraw/zinc/19/32/18/216193218.db2.gz DGBGCXDKPZAEEX-CQSZACIVSA-N 0 3 335.451 4.642 40 0 EJABHN CCOc1ccc(Cl)cc1CNCCc1c[nH]c2ccccc12 ZINC000022075935 212277083 /nfs/dbraw/zinc/27/70/83/212277083.db2.gz XIPSVYRWUAPVQC-UHFFFAOYSA-N 0 3 328.843 4.552 40 0 EJABHN CCSc1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000020459555 212133669 /nfs/dbraw/zinc/13/36/69/212133669.db2.gz QLEQSEPEACBAKL-UHFFFAOYSA-N 0 3 340.492 4.647 40 0 EJABHN Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072375101 203208936 /nfs/dbraw/zinc/20/89/36/203208936.db2.gz DKQYUHVMEFUZNT-FQEVSTJZSA-N 0 3 344.462 4.866 40 0 EJABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2c(Cl)cccc2Cl)on1 ZINC000019120517 212001103 /nfs/dbraw/zinc/00/11/03/212001103.db2.gz UCAYWNXARACOLF-YVEFUNNKSA-N 0 3 339.266 4.791 40 0 EJABHN Cc1nc(N2CCCCC2)ccc1[C@H]1CCCN1Cc1ccccc1 ZINC000072219270 257686676 /nfs/dbraw/zinc/68/66/76/257686676.db2.gz XKUHDEMVKPZUNL-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072214737 257689274 /nfs/dbraw/zinc/68/92/74/257689274.db2.gz ZNBJJIWFYLTJHO-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000008300091 560108119 /nfs/dbraw/zinc/10/81/19/560108119.db2.gz QSUFNGZTOSFOJE-TXPKVOOTSA-N 0 3 344.499 4.653 40 0 biogenic,in-vitro EJABHN CC(=O)Nc1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2N(C)C ZINC000001662431 563400317 /nfs/dbraw/zinc/40/03/17/563400317.db2.gz AWZOSLOOJDUKIT-QGZVFWFLSA-N 0 3 335.234 4.583 40 0 EJABHN COc1cc2c(cc1OCc1ccccc1)[C@@H](CC(C)C)N(C)CC2 ZINC000003848587 563489430 /nfs/dbraw/zinc/48/94/30/563489430.db2.gz RZFYKKKRSXBCHL-HXUWFJFHSA-N 0 3 339.479 4.849 40 0 EJABHN CCCCCNCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000007261344 563598375 /nfs/dbraw/zinc/59/83/75/563598375.db2.gz VNRKGDGWQLAIKF-UHFFFAOYSA-N 0 3 331.431 4.693 40 0 EJABHN CCCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000007261731 563598583 /nfs/dbraw/zinc/59/85/83/563598583.db2.gz SHEZAPODFDGLRW-UHFFFAOYSA-N 0 3 333.859 4.817 40 0 EJABHN CCCNCc1cc(Br)ccc1OCc1ccccc1 ZINC000007262345 563598631 /nfs/dbraw/zinc/59/86/31/563598631.db2.gz UNNUJNAWZXGQJM-UHFFFAOYSA-N 0 3 334.257 4.528 40 0 EJABHN CCOc1cc(CNC)cc(Cl)c1OCc1ccccc1Cl ZINC000008254100 563625043 /nfs/dbraw/zinc/62/50/43/563625043.db2.gz SRSMQVJLQOWWGQ-UHFFFAOYSA-N 0 3 340.250 4.691 40 0 EJABHN CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccccc1 ZINC000008325936 563626536 /nfs/dbraw/zinc/62/65/36/563626536.db2.gz RMJKPJMVNJRAJD-CQSZACIVSA-N 0 3 348.284 4.916 40 0 EJABHN COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1 ZINC000008472041 563630795 /nfs/dbraw/zinc/63/07/95/563630795.db2.gz RPQPVSINUXKUSB-UHFFFAOYSA-N 0 3 333.431 4.564 40 0 EJABHN COc1cc(CNCc2ccccc2)ccc1OCc1ccccc1C ZINC000016362796 563809753 /nfs/dbraw/zinc/80/97/53/563809753.db2.gz SIHHNJZRKOXHAV-UHFFFAOYSA-N 0 3 347.458 4.872 40 0 EJABHN c1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)cc1 ZINC000016480621 563812744 /nfs/dbraw/zinc/81/27/44/563812744.db2.gz BJHKOWYUKIGPPW-FQEVSTJZSA-N 0 3 347.458 4.687 40 0 EJABHN C[C@H]1CC2=C(C[C@@H]1[C@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000085867332 563974002 /nfs/dbraw/zinc/97/40/02/563974002.db2.gz GWNYATQURCVOGA-KRQVXIAISA-N 0 3 347.543 4.767 40 0 EJABHN CCCCN1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C ZINC000072214403 563984776 /nfs/dbraw/zinc/98/47/76/563984776.db2.gz GGFXOXNCRGPDJF-INIZCTEOSA-N 0 3 333.476 4.756 40 0 EJABHN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(C)C ZINC000072214917 563985039 /nfs/dbraw/zinc/98/50/39/563985039.db2.gz QOPSKDJFCUSBCP-QGZVFWFLSA-N 0 3 347.503 4.777 40 0 EJABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072215100 563985106 /nfs/dbraw/zinc/98/51/06/563985106.db2.gz GZJHLFLPPACLTO-RDJZCZTQSA-N 0 3 347.503 4.778 40 0 EJABHN CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CC)cn1 ZINC000072215099 563985115 /nfs/dbraw/zinc/98/51/15/563985115.db2.gz GZJHLFLPPACLTO-WBVHZDCISA-N 0 3 347.503 4.778 40 0 EJABHN CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215456 563985269 /nfs/dbraw/zinc/98/52/69/563985269.db2.gz WGMWVMSCMGZMBR-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1 ZINC000008254059 564016024 /nfs/dbraw/zinc/01/60/24/564016024.db2.gz QSVZKQRRMUWNCM-UHFFFAOYSA-N 0 3 331.843 4.570 40 0 EJABHN C[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H](O)c1ccccc1 ZINC000022076544 564034233 /nfs/dbraw/zinc/03/42/33/564034233.db2.gz OGFNMONHJWTTDB-XOBRGWDASA-N 0 3 341.838 4.812 40 0 EJABHN Cc1sc(NC(=O)c2ccccc2)c(CN2CCC(C)CC2)c1C ZINC000000568541 564051110 /nfs/dbraw/zinc/05/11/10/564051110.db2.gz ZHSJUGZEAZRNDA-UHFFFAOYSA-N 0 3 342.508 4.849 40 0 EJABHN O=C(Nc1cccc2ccccc21)c1ccc(CN2CCCC2)cc1 ZINC000010332802 564127745 /nfs/dbraw/zinc/12/77/45/564127745.db2.gz MPXPXTAFIXORHK-UHFFFAOYSA-N 0 3 330.431 4.688 40 0 EJABHN Fc1ccccc1CN1CC[C@H](c2nc3cc(Cl)ccc3o2)C1 ZINC000035442904 213028686 /nfs/dbraw/zinc/02/86/86/213028686.db2.gz VPCYGSPTZYEMJT-ZDUSSCGKSA-N 0 3 330.790 4.610 40 0 biogenic,in-vitro EJABHN CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072348588 216160287 /nfs/dbraw/zinc/16/02/87/216160287.db2.gz HUTAFRINCKQPCY-UHFFFAOYSA-N 0 3 334.385 4.500 40 0 EJABHN Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348798 216161204 /nfs/dbraw/zinc/16/12/04/216161204.db2.gz QHEXOTGYMFYMMP-LJQANCHMSA-N 0 3 347.437 4.662 40 0 EJABHN COc1ccc([C@H](C)N(C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393730 216192642 /nfs/dbraw/zinc/19/26/42/216192642.db2.gz SRVDLGNPZROZRJ-HNNXBMFYSA-N 0 3 337.467 4.888 40 0 EJABHN Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348922 203202915 /nfs/dbraw/zinc/20/29/15/203202915.db2.gz JMPAYXRZELBZDR-GOSISDBHSA-N 0 3 347.437 4.662 40 0 EJABHN COc1cccc(C2(NCc3ccc4ncccc4c3)CCCC2)c1 ZINC000012328239 211349829 /nfs/dbraw/zinc/34/98/29/211349829.db2.gz UZAAKIGRSITCDV-UHFFFAOYSA-N 0 3 332.447 4.803 40 0 EJABHN COc1ccc(C2(NCc3c(C)nc4c(C)cccn34)CCCC2)cc1 ZINC000012147592 211307497 /nfs/dbraw/zinc/30/74/97/211307497.db2.gz HHZDRWGTXKATQO-UHFFFAOYSA-N 0 3 349.478 4.519 40 0 EJABHN Cc1cc(N2CCCCC2)ncc1[C@@H]1CCCN1Cc1ccccc1 ZINC000072219209 257687586 /nfs/dbraw/zinc/68/75/86/257687586.db2.gz VFSXXYKZHIYWKT-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN c1ccc(N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1 ZINC000031938376 526481451 /nfs/dbraw/zinc/48/14/51/526481451.db2.gz TVBGCVYNNJWKAX-UHFFFAOYSA-N 0 3 326.443 4.579 40 0 EJABHN CC(C)c1ccc(CN(CCO)Cc2ccc(C(C)C)cc2)cc1 ZINC000001600465 563395760 /nfs/dbraw/zinc/39/57/60/563395760.db2.gz OWVACFKJYXXTAG-UHFFFAOYSA-N 0 3 325.496 4.928 40 0 EJABHN CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1 ZINC000006882530 563590682 /nfs/dbraw/zinc/59/06/82/563590682.db2.gz NEIWMZNVOMNDLN-UHFFFAOYSA-N 0 3 348.284 4.916 40 0 EJABHN CCOCCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007524719 563604233 /nfs/dbraw/zinc/60/42/33/563604233.db2.gz JWUQGEQHAHVIMU-UHFFFAOYSA-N 0 3 328.239 4.770 40 0 EJABHN Brc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1 ZINC000008700484 563635707 /nfs/dbraw/zinc/63/57/07/563635707.db2.gz IXIPFXSBPXIFIC-UHFFFAOYSA-N 0 3 328.253 4.738 40 0 EJABHN Cc1nc2sccn2c1CNC1(c2ccc(Cl)cc2)CCC1 ZINC000013999950 563734974 /nfs/dbraw/zinc/73/49/74/563734974.db2.gz LNRQWNRHBMBJIC-UHFFFAOYSA-N 0 3 331.872 4.527 40 0 EJABHN Fc1ccccc1COc1ccccc1CNCCc1ccccc1 ZINC000016479408 563812766 /nfs/dbraw/zinc/81/27/66/563812766.db2.gz JRSNKVHWJMDTHL-UHFFFAOYSA-N 0 3 335.422 4.737 40 0 EJABHN Cc1cc2c(cc1C(F)(F)F)N(C(=O)OC(C)(C)C)CCC[C@@H]2N ZINC000091302078 563975245 /nfs/dbraw/zinc/97/52/45/563975245.db2.gz ZTMQESWFSUIDFM-ZDUSSCGKSA-N 0 3 344.377 4.549 40 0 EJABHN CCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214875 563985011 /nfs/dbraw/zinc/98/50/11/563985011.db2.gz AIEMKWAPIKSUDO-KRWDZBQOSA-N 0 3 347.503 4.778 40 0 EJABHN CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(C)C)cn1 ZINC000072214858 563985020 /nfs/dbraw/zinc/98/50/20/563985020.db2.gz XTBLHYOCGLBWKN-KRWDZBQOSA-N 0 3 347.503 4.777 40 0 EJABHN Cc1cc(N2CCCc3ccccc32)ncc1[C@H](N)c1ccccc1 ZINC000072223926 563985880 /nfs/dbraw/zinc/98/58/80/563985880.db2.gz QXMJYURJILUCDK-JOCHJYFZSA-N 0 3 329.447 4.522 40 0 EJABHN Cc1cc(N2CCCc3ccccc32)ncc1[C@@H](N)c1ccccc1 ZINC000072223927 563985886 /nfs/dbraw/zinc/98/58/86/563985886.db2.gz QXMJYURJILUCDK-QFIPXVFZSA-N 0 3 329.447 4.522 40 0 EJABHN Nc1c2c(nc3ccccc13)N(c1ccc(Cl)c(Cl)c1)CC2 ZINC000000104438 563986400 /nfs/dbraw/zinc/98/64/00/563986400.db2.gz SOMPZWPMMFOZCE-UHFFFAOYSA-N 0 3 330.218 4.818 40 0 EJABHN Cc1c(C(=O)CN2C[C@]3(C)C[C@H]2CC(C)(C)C3)c2ccccc2n1C ZINC000002416893 564003778 /nfs/dbraw/zinc/00/37/78/564003778.db2.gz DWVYRXCRUOQLHN-OPAMFIHVSA-N 0 3 338.495 4.570 40 0 EJABHN Fc1ccc(CN2CC[C@H](c3nc4ccccc4s3)C2)cc1F ZINC000049168927 564032523 /nfs/dbraw/zinc/03/25/23/564032523.db2.gz IBVMDDUGZXRUNZ-ZDUSSCGKSA-N 0 3 330.403 4.564 40 0 biogenic,in-vitro EJABHN CC1CCN(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)CC1 ZINC000224330818 564042440 /nfs/dbraw/zinc/04/24/40/564042440.db2.gz WMWZHCDVQCFUIO-UHFFFAOYSA-N 0 3 344.543 4.863 40 0 EJABHN C[C@@H](CN[C@@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456518 202008073 /nfs/dbraw/zinc/00/80/73/202008073.db2.gz NNNZEKCJZYVZOT-YOEHRIQHSA-N 0 3 328.506 4.882 40 0 EJABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C ZINC000038833624 213228580 /nfs/dbraw/zinc/22/85/80/213228580.db2.gz MCVVYHLMYKVPNI-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN Cc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348797 216160026 /nfs/dbraw/zinc/16/00/26/216160026.db2.gz GYUNEUBTDDNWIM-NRFANRHFSA-N 0 3 343.474 4.832 40 0 EJABHN CCCNCc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000020875642 212179522 /nfs/dbraw/zinc/17/95/22/212179522.db2.gz JXBGMSPPLMNIOH-UHFFFAOYSA-N 0 3 328.637 4.862 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000020036820 212096378 /nfs/dbraw/zinc/09/63/78/212096378.db2.gz RVXSFUFTVUEJFQ-UHFFFAOYSA-N 0 3 342.870 4.824 40 0 EJABHN COc1cc(C)c(CN2CCCCC[C@@H]2c2cc(C)no2)cc1C ZINC000019567352 212044016 /nfs/dbraw/zinc/04/40/16/212044016.db2.gz GHRJEOOPWOUHFX-GOSISDBHSA-N 0 3 328.456 4.726 40 0 EJABHN Cc1ccsc1CN(CCCO)Cc1oc2ccc(C)cc2c1C ZINC000012291856 211335613 /nfs/dbraw/zinc/33/56/13/211335613.db2.gz RGVVZAFOLIBKSI-UHFFFAOYSA-N 0 3 343.492 4.804 40 0 EJABHN C[C@@H]1CC(C)(C)N(C(=O)CNCCC2=CCCCC2)c2ccccc21 ZINC000004894669 210315245 /nfs/dbraw/zinc/31/52/45/210315245.db2.gz AMFNNUAJNVOMEE-QGZVFWFLSA-N 0 3 340.511 4.786 40 0 EJABHN O=C(OCCN1CCCCCC1)[C@@H](c1ccsc1)C1CCCCC1 ZINC000000000132 563211367 /nfs/dbraw/zinc/21/13/67/563211367.db2.gz MMNICIJVQJJHHF-LJQANCHMSA-N 0 3 349.540 4.831 40 0 in-man EJABHN O=C(OCCN1CCCCCC1)[C@H](c1ccsc1)C1CCCCC1 ZINC000001638266 563398187 /nfs/dbraw/zinc/39/81/87/563398187.db2.gz MMNICIJVQJJHHF-IBGZPJMESA-N 0 3 349.540 4.831 40 0 in-man EJABHN COc1cc2c(cc1OCc1ccccc1)[C@H](CC(C)C)N(C)CC2 ZINC000003848589 563489454 /nfs/dbraw/zinc/48/94/54/563489454.db2.gz RZFYKKKRSXBCHL-FQEVSTJZSA-N 0 3 339.479 4.849 40 0 EJABHN CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccccc1F ZINC000008254149 563625137 /nfs/dbraw/zinc/62/51/37/563625137.db2.gz FBGGXTOKGCYCLJ-UHFFFAOYSA-N 0 3 349.833 4.709 40 0 EJABHN O=C(Nc1ccc(Cl)cc1)[C@@H](NC1CCCCC1)c1ccccc1 ZINC000408734133 563634699 /nfs/dbraw/zinc/63/46/99/563634699.db2.gz KZYJAHUQFLMSAM-IBGZPJMESA-N 0 3 342.870 4.942 40 0 EJABHN Fc1ccc(CCNCc2ccccc2OCc2ccccc2)cc1 ZINC000016480781 563812712 /nfs/dbraw/zinc/81/27/12/563812712.db2.gz LGTWLMDCGUTOMQ-UHFFFAOYSA-N 0 3 335.422 4.737 40 0 EJABHN CO[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21 ZINC000096100195 563979206 /nfs/dbraw/zinc/97/92/06/563979206.db2.gz MQNRSTFMNOKCLC-NRFANRHFSA-N 0 3 339.454 4.759 40 0 EJABHN Fc1ccc(OCCN2CCCC2)c(Oc2cccc(Cl)c2)c1 ZINC000585265721 563981137 /nfs/dbraw/zinc/98/11/37/563981137.db2.gz ZKKOTOVHQLQBTJ-UHFFFAOYSA-N 0 3 335.806 4.746 40 0 EJABHN CN1CCC[C@@H](COc2ccccc2Oc2cccc(Cl)c2)C1 ZINC000585266247 563981146 /nfs/dbraw/zinc/98/11/46/563981146.db2.gz XSNVOEVYVIXECG-OAHLLOKOSA-N 0 3 331.843 4.853 40 0 EJABHN Cc1ccc(Oc2ccc(F)cc2OCCN2CCCCC2)cc1 ZINC000585265691 563981170 /nfs/dbraw/zinc/98/11/70/563981170.db2.gz YCAJLNABBYTCRS-UHFFFAOYSA-N 0 3 329.415 4.791 40 0 EJABHN CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CC(C)C ZINC000072214802 563984946 /nfs/dbraw/zinc/98/49/46/563984946.db2.gz NYWBWKJZSPNJBV-QGZVFWFLSA-N 0 3 347.503 4.636 40 0 EJABHN C[C@@H](NCc1ccc(-c2cccc(Cl)c2)o1)[C@H](O)c1ccccc1 ZINC000022076593 564034219 /nfs/dbraw/zinc/03/42/19/564034219.db2.gz VZRPVBFYVPJKMO-VLIAUNLRSA-N 0 3 341.838 4.812 40 0 EJABHN C[C@H](NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H](O)c1ccccc1 ZINC000022076541 564034222 /nfs/dbraw/zinc/03/42/22/564034222.db2.gz OGFNMONHJWTTDB-VBKZILBWSA-N 0 3 341.838 4.812 40 0 EJABHN CCCC[C@H](CC)CNC(=O)C1CCN(Cc2cccc(C)c2)CC1 ZINC000224528546 564043044 /nfs/dbraw/zinc/04/30/44/564043044.db2.gz ZAWPBJRSXOOYLB-IBGZPJMESA-N 0 3 344.543 4.540 40 0 EJABHN O=C(Nc1cccc2ccccc21)C1CCN(Cc2ccccc2)CC1 ZINC000009062771 564127619 /nfs/dbraw/zinc/12/76/19/564127619.db2.gz YBTHZNFHLRFSSK-UHFFFAOYSA-N 0 3 344.458 4.691 40 0 EJABHN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCC2)cc1 ZINC000010364366 564127790 /nfs/dbraw/zinc/12/77/90/564127790.db2.gz ALWMUEHBZUFFFV-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN O=C(NC1CCCCCCC1)c1ccc(CN2CCCCC2)cc1 ZINC000010370427 564127794 /nfs/dbraw/zinc/12/77/94/564127794.db2.gz HBUOWOWQDHUMGY-UHFFFAOYSA-N 0 3 328.500 4.515 40 0 EJABHN COc1c(Cl)cc(Cl)cc1CNCCc1c[nH]c2ccccc12 ZINC000022074816 202079068 /nfs/dbraw/zinc/07/90/68/202079068.db2.gz MGDBRIZYKUJUAO-UHFFFAOYSA-N 0 3 349.261 4.816 40 0 EJABHN Fc1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1F ZINC000035442902 213028839 /nfs/dbraw/zinc/02/88/39/213028839.db2.gz QDBLVVLBBSTXTI-LBPRGKRZSA-N 0 3 348.780 4.749 40 0 biogenic,in-vitro EJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2cccc(Cl)c2)o1 ZINC000036740248 202330171 /nfs/dbraw/zinc/33/01/71/202330171.db2.gz WRAQPMSZJJAIAW-UHFFFAOYSA-N 0 3 343.858 4.530 40 0 EJABHN Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348832 216160355 /nfs/dbraw/zinc/16/03/55/216160355.db2.gz BGPKMWCMFXEWDE-OAQYLSRUSA-N 0 3 343.474 4.832 40 0 EJABHN Cc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348919 216160582 /nfs/dbraw/zinc/16/05/82/216160582.db2.gz QEGMCYJDJOFWRO-HXUWFJFHSA-N 0 3 343.474 4.832 40 0 EJABHN Cc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348833 216160595 /nfs/dbraw/zinc/16/05/95/216160595.db2.gz BGPKMWCMFXEWDE-NRFANRHFSA-N 0 3 343.474 4.832 40 0 EJABHN Fc1ccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 ZINC000072348799 216161096 /nfs/dbraw/zinc/16/10/96/216161096.db2.gz QHEXOTGYMFYMMP-IBGZPJMESA-N 0 3 347.437 4.662 40 0 EJABHN Cc1ccccc1CN1CCC[C@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375264 216179214 /nfs/dbraw/zinc/17/92/14/216179214.db2.gz RTRCDARWIGPSMD-FQEVSTJZSA-N 0 3 344.462 4.866 40 0 EJABHN Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3ccccc3)n2)n1 ZINC000072375102 216178108 /nfs/dbraw/zinc/17/81/08/216178108.db2.gz DKQYUHVMEFUZNT-HXUWFJFHSA-N 0 3 344.462 4.866 40 0 EJABHN c1cc(-c2nnc([C@H]3CCCCN3CCc3ccccc3)o2)cs1 ZINC000072390149 216191436 /nfs/dbraw/zinc/19/14/36/216191436.db2.gz NZHBGUWUPSHCME-QGZVFWFLSA-N 0 3 339.464 4.568 40 0 EJABHN CCN(CC)CCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000022076575 212276872 /nfs/dbraw/zinc/27/68/72/212276872.db2.gz PIJSEOQOFKZVDY-UHFFFAOYSA-N 0 3 341.282 4.685 40 0 EJABHN CCOc1c(Cl)cc(Cl)cc1CNCCc1ccccc1F ZINC000022074746 212275679 /nfs/dbraw/zinc/27/56/79/212275679.db2.gz CQKCJBITVFJIKF-UHFFFAOYSA-N 0 3 342.241 4.864 40 0 EJABHN Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000020493667 212139009 /nfs/dbraw/zinc/13/90/09/212139009.db2.gz LXSCQEPUSRPLMR-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN c1ccc(CN2CCN(Cc3ccccc3)[C@H](c3ccccc3)C2)cc1 ZINC000019366319 212023053 /nfs/dbraw/zinc/02/30/53/212023053.db2.gz GENVHINXIOAJEH-DEOSSOPVSA-N 0 3 342.486 4.746 40 0 EJABHN COc1ccccc1C1(NCc2c(C)nc3c(C)cccn23)CCCC1 ZINC000012147591 211307809 /nfs/dbraw/zinc/30/78/09/211307809.db2.gz ORJCLWOQZGCKRS-UHFFFAOYSA-N 0 3 349.478 4.519 40 0 EJABHN CCCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2CCN(C)C1 ZINC000004976718 210346391 /nfs/dbraw/zinc/34/63/91/210346391.db2.gz CXLQUCPRQKBNSP-UHFFFAOYSA-N 0 3 329.484 4.775 40 0 in-vivo EJABHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@@H](C)C[C@H](C)C1 ZINC000004897849 210316642 /nfs/dbraw/zinc/31/66/42/210316642.db2.gz WPSGCUBUKCRVEC-BZSNNMDCSA-N 0 3 336.479 4.659 40 0 EJABHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C)C[C@H](C)C1 ZINC000004897848 210315746 /nfs/dbraw/zinc/31/57/46/210315746.db2.gz WPSGCUBUKCRVEC-KSZLIROESA-N 0 3 336.479 4.659 40 0 EJABHN C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1C[C@H](C)C[C@@H](C)C1 ZINC000004897850 210315575 /nfs/dbraw/zinc/31/55/75/210315575.db2.gz WPSGCUBUKCRVEC-KURKYZTESA-N 0 3 336.479 4.659 40 0 EJABHN Cc1ccc(C23C[C@H]4C[C@H](CC(C(=O)CNC(C)(C)C)(C4)C2)C3)cc1 ZINC000001506842 563391289 /nfs/dbraw/zinc/39/12/89/563391289.db2.gz ZDZWYBQALASASL-WVKNIADZSA-N 0 3 339.523 4.790 40 0 EJABHN Cc1n(-c2ccccc2)cc([N-]c2ccccc2)[n+]1-c1ccccc1 ZINC000016363238 563809727 /nfs/dbraw/zinc/80/97/27/563809727.db2.gz VRMGUBBEFUOBKK-UHFFFAOYSA-N 0 3 326.423 4.806 40 0 EJABHN CC1CCN(Cc2ccc(C(=O)N3CCCc4ccccc43)cc2)CC1 ZINC000022517566 563863088 /nfs/dbraw/zinc/86/30/88/563863088.db2.gz QKGCAGRYSNJDRB-UHFFFAOYSA-N 0 3 348.490 4.512 40 0 EJABHN CCCCN1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214343 563984751 /nfs/dbraw/zinc/98/47/51/563984751.db2.gz NBVJOEGQUUHYNH-INIZCTEOSA-N 0 3 333.476 4.756 40 0 EJABHN CC(C)CN1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214521 563984800 /nfs/dbraw/zinc/98/48/00/563984800.db2.gz SAKHFMDNNNNMFC-KRWDZBQOSA-N 0 3 347.503 4.636 40 0 EJABHN CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214573 563984822 /nfs/dbraw/zinc/98/48/22/563984822.db2.gz WEBMAXBFKCSLSH-QGZVFWFLSA-N 0 3 347.503 4.636 40 0 EJABHN CCCN1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214637 563984839 /nfs/dbraw/zinc/98/48/39/563984839.db2.gz YIXMVAVUFBXGSD-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1CCC ZINC000072214740 563984897 /nfs/dbraw/zinc/98/48/97/563984897.db2.gz NWJDHXBKHNSPHD-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(C)C)cn1 ZINC000072214678 563984920 /nfs/dbraw/zinc/98/49/20/563984920.db2.gz KEQPNMBJMUFZDF-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(C)C ZINC000072214918 563985033 /nfs/dbraw/zinc/98/50/33/563985033.db2.gz QOPSKDJFCUSBCP-KRWDZBQOSA-N 0 3 347.503 4.777 40 0 EJABHN CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072215144 563985138 /nfs/dbraw/zinc/98/51/38/563985138.db2.gz GLJXFSGZGBTCQP-DOTOQJQBSA-N 0 3 347.503 4.778 40 0 EJABHN c1ccc(CN2CCCC[C@H]2c2ccc(N3CCCCC3)nc2)cc1 ZINC000072216069 563985525 /nfs/dbraw/zinc/98/55/25/563985525.db2.gz LMKHHBZXGSURIQ-NRFANRHFSA-N 0 3 335.495 4.799 40 0 EJABHN COc1ccc2nc(C)cc(Nc3ccc(OC)c(Cl)c3)c2c1 ZINC000000303353 563996727 /nfs/dbraw/zinc/99/67/27/563996727.db2.gz LPJBDURFGOPNNW-UHFFFAOYSA-N 0 3 328.799 4.957 40 0 EJABHN C[C@H]1CC(C)(C)N(C(=O)CNCCC2=CCCCC2)c2ccccc21 ZINC000004894671 564005517 /nfs/dbraw/zinc/00/55/17/564005517.db2.gz AMFNNUAJNVOMEE-KRWDZBQOSA-N 0 3 340.511 4.786 40 0 EJABHN COc1ccc2[nH]cc([C@@H]3CCN(Cc4ccccc4Cl)C3)c2c1 ZINC000057744977 564035019 /nfs/dbraw/zinc/03/50/19/564035019.db2.gz HCOHGEBGCABSNC-CQSZACIVSA-N 0 3 340.854 4.819 40 0 EJABHN Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010364361 564127825 /nfs/dbraw/zinc/12/78/25/564127825.db2.gz CRJQNWZRYKJFEQ-UHFFFAOYSA-N 0 3 336.479 4.967 40 0 EJABHN C[C@H]1CC2=C(C[C@@H]1[C@@H]1OC[C@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000004005770 210098563 /nfs/dbraw/zinc/09/85/63/210098563.db2.gz GWNYATQURCVOGA-MCNSAMFCSA-N 0 3 347.543 4.767 40 0 EJABHN Clc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019401955 202007172 /nfs/dbraw/zinc/00/71/72/202007172.db2.gz NDXXEALOHDYODB-MUGJNUQGSA-N 0 3 326.871 4.797 40 0 EJABHN Cc1cccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1C ZINC000038835217 213228530 /nfs/dbraw/zinc/22/85/30/213228530.db2.gz GEXVWLXTSMIYMU-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072348589 216160377 /nfs/dbraw/zinc/16/03/77/216160377.db2.gz BMIVVMOFVFPHCS-HNNXBMFYSA-N 0 3 334.385 4.500 40 0 EJABHN C[C@@H](CN[C@H](Cc1ccsc1)c1nccs1)c1ccccc1 ZINC000019456522 212029699 /nfs/dbraw/zinc/02/96/99/212029699.db2.gz NNNZEKCJZYVZOT-WMLDXEAASA-N 0 3 328.506 4.882 40 0 EJABHN C[C@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556113 207169083 /nfs/dbraw/zinc/16/90/83/207169083.db2.gz GWNYATQURCVOGA-HKJQZYRSSA-N 0 3 347.543 4.767 40 0 EJABHN CCCN1CC=C(c2nc3ccc(Br)cc3s2)CC1 ZINC000073638882 563931147 /nfs/dbraw/zinc/93/11/47/563931147.db2.gz YWHDYGRBZBUXTH-UHFFFAOYSA-N 0 3 337.286 4.558 40 0 EJABHN CC(C)c1cc(Br)cc(C(C)C)c1OCCN(C)C ZINC000001734062 563408342 /nfs/dbraw/zinc/40/83/42/563408342.db2.gz KWTXXTQYZOIYHP-UHFFFAOYSA-N 0 3 328.294 4.636 40 0 EJABHN CN(C)[C@H]1CCc2ccc3ccccc3c2[C@@H]1OC(=O)c1ccccc1 ZINC000001569706 563392879 /nfs/dbraw/zinc/39/28/79/563392879.db2.gz KWZQTEDIPXRBIH-RBBKRZOGSA-N 0 3 345.442 4.614 40 0 EJABHN CN(C)[C@@H]1CCc2c3ccccc3ccc2[C@@H]1OC(=O)c1ccccc1 ZINC000006437240 563568007 /nfs/dbraw/zinc/56/80/07/563568007.db2.gz MABOKCQFSCINST-YADHBBJMSA-N 0 3 345.442 4.614 40 0 EJABHN CCCCCCNCc1cccc(OC)c1OCc1ccccc1 ZINC000007261079 563598390 /nfs/dbraw/zinc/59/83/90/563598390.db2.gz JCRJEVJDFKBPNM-UHFFFAOYSA-N 0 3 327.468 4.944 40 0 EJABHN CCCCCNCc1cccc(OC)c1OCc1ccccc1F ZINC000007261349 563598644 /nfs/dbraw/zinc/59/86/44/563598644.db2.gz UEIUTJULNKBMFO-UHFFFAOYSA-N 0 3 331.431 4.693 40 0 EJABHN CC[C@H](C)NCc1cc(Br)ccc1OCc1ccccc1 ZINC000008326695 563626786 /nfs/dbraw/zinc/62/67/86/563626786.db2.gz RMJKPJMVNJRAJD-AWEZNQCLSA-N 0 3 348.284 4.916 40 0 EJABHN CO[C@H]1CC2(CCN(Cc3ccsc3)CC2)c2ccc(C)cc21 ZINC000096100187 563979196 /nfs/dbraw/zinc/97/91/96/563979196.db2.gz GDLUJQUMHPMSLY-IBGZPJMESA-N 0 3 327.493 4.682 40 0 EJABHN Cc1sc2ccccc2c1CN1CCN(Cc2ccccc2)CC1 ZINC000096305882 563980693 /nfs/dbraw/zinc/98/06/93/563980693.db2.gz NUELMXAUZJZVEL-UHFFFAOYSA-N 0 3 336.504 4.528 40 0 EJABHN CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1)C1CCCC1 ZINC000072215634 563984357 /nfs/dbraw/zinc/98/43/57/563984357.db2.gz DOPSODROKTXFPQ-KRWDZBQOSA-N 0 3 345.487 4.580 40 0 EJABHN CC(C)CN1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000072214340 563984654 /nfs/dbraw/zinc/98/46/54/563984654.db2.gz YDMLKMFGJDTJEX-MRXNPFEDSA-N 0 3 333.476 4.612 40 0 EJABHN CCN1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214549 563984812 /nfs/dbraw/zinc/98/48/12/563984812.db2.gz IUZIZWWQZXXVEM-QGZVFWFLSA-N 0 3 347.503 4.636 40 0 EJABHN CCN1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214550 563984860 /nfs/dbraw/zinc/98/48/60/563984860.db2.gz IUZIZWWQZXXVEM-KRWDZBQOSA-N 0 3 347.503 4.636 40 0 EJABHN CCCCN1CCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214623 563984868 /nfs/dbraw/zinc/98/48/68/563984868.db2.gz YXTRARIHYWFJCB-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2CCC)cn1 ZINC000072214679 563984953 /nfs/dbraw/zinc/98/49/53/563984953.db2.gz FDHSGONMUSRFER-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215434 563985304 /nfs/dbraw/zinc/98/53/04/563985304.db2.gz OMIWARQJOVQPLL-KRWDZBQOSA-N 0 3 345.487 4.532 40 0 EJABHN CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000008227309 564016026 /nfs/dbraw/zinc/01/60/26/564016026.db2.gz AAWRMQJOTWLKIB-UHFFFAOYSA-N 0 3 340.250 4.691 40 0 EJABHN CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008377364 564016180 /nfs/dbraw/zinc/01/61/80/564016180.db2.gz WRMVNUZNJCGUFI-UHFFFAOYSA-N 0 3 330.642 4.945 40 0 EJABHN CCCC[C@H](CC)CNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000224095702 564041686 /nfs/dbraw/zinc/04/16/86/564041686.db2.gz BEGWERSHDIFBFC-SFHVURJKSA-N 0 3 330.516 4.619 40 0 EJABHN COc1cc2c(cc1OC)[C@@H](CCc1ccc(Cl)cc1)N(C)CC2 ZINC000002038844 564058174 /nfs/dbraw/zinc/05/81/74/564058174.db2.gz YBCPYHQFUMNOJG-GOSISDBHSA-N 0 3 345.870 4.519 40 0 in-man EJABHN CC(C)=CCCC1=CC[C@@H]([C@@H]2OC[C@H](CN3CCCCC3)O2)[C@H](C)C1 ZINC000004026388 210103257 /nfs/dbraw/zinc/10/32/57/210103257.db2.gz XIHJFMFAIYGPCL-FVTFTPSCSA-N 0 3 347.543 4.933 40 0 EJABHN Cc1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(C)c1 ZINC000020459660 202043598 /nfs/dbraw/zinc/04/35/98/202043598.db2.gz GBISTHHJHVBPJB-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN Fc1ccccc1-c1cccc([C@@H]2CCCN(Cc3ccccn3)C2)n1 ZINC000072348923 216160102 /nfs/dbraw/zinc/16/01/02/216160102.db2.gz DNJDHSPBBJZVRY-QGZVFWFLSA-N 0 3 347.437 4.662 40 0 EJABHN Fc1ccc(-c2cccc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000072348834 216160659 /nfs/dbraw/zinc/16/06/59/216160659.db2.gz YMOCWUUGHXYCNJ-LJQANCHMSA-N 0 3 347.437 4.662 40 0 EJABHN Fc1ccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072348921 216161103 /nfs/dbraw/zinc/16/11/03/216161103.db2.gz JMPAYXRZELBZDR-SFHVURJKSA-N 0 3 347.437 4.662 40 0 EJABHN Cc1ccc(-c2c3ccccc3nc(N)c2CN2CCCCC2)cc1 ZINC000020506701 212141015 /nfs/dbraw/zinc/14/10/15/212141015.db2.gz SJEAILFZJCTPMR-UHFFFAOYSA-N 0 3 331.463 4.778 40 0 EJABHN Fc1cccc(-c2cccc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 ZINC000072348839 203203343 /nfs/dbraw/zinc/20/33/43/203203343.db2.gz CLCDALOQQUCTTF-IBGZPJMESA-N 0 3 347.437 4.662 40 0 EJABHN Clc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019401958 212025689 /nfs/dbraw/zinc/02/56/89/212025689.db2.gz NDXXEALOHDYODB-ZRNYENFQSA-N 0 3 326.871 4.797 40 0 EJABHN Clc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019401952 212026264 /nfs/dbraw/zinc/02/62/64/212026264.db2.gz NDXXEALOHDYODB-FYQPLNBISA-N 0 3 326.871 4.797 40 0 EJABHN Cc1cc(C[C@@H]2CCC[C@H]2NCc2ccc(Cl)cc2Cl)on1 ZINC000019120567 212000961 /nfs/dbraw/zinc/00/09/61/212000961.db2.gz PXVCBFGRUACGFK-YVEFUNNKSA-N 0 3 339.266 4.791 40 0 EJABHN Cc1ccc(CN(CCCn2ccnc2)Cc2ccc(C)s2)s1 ZINC000013991337 211666472 /nfs/dbraw/zinc/66/64/72/211666472.db2.gz TWKPRCPNOUJQIK-UHFFFAOYSA-N 0 3 345.537 4.715 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2CCC)cn1 ZINC000072214680 257688576 /nfs/dbraw/zinc/68/85/76/257688576.db2.gz FDHSGONMUSRFER-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257246841 535301223 /nfs/dbraw/zinc/30/12/23/535301223.db2.gz IWAREPFVNANSOY-QGZVFWFLSA-N 0 3 337.467 4.558 40 0 EJABHN CCC(=O)N1CCC[C@H](c2cc(Nc3ccc(C)cc3)cc(C)n2)C1 ZINC000257246840 535306225 /nfs/dbraw/zinc/30/62/25/535306225.db2.gz IWAREPFVNANSOY-KRWDZBQOSA-N 0 3 337.467 4.558 40 0 EJABHN C[C@H](OC(=O)C[C@H](c1ccccc1)N1CCCCC1)c1ccccc1 ZINC000001569403 563392839 /nfs/dbraw/zinc/39/28/39/563392839.db2.gz WWFXXOLLBWVWJA-GHTZIAJQSA-N 0 3 337.463 4.908 40 0 EJABHN CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCC ZINC000008253907 563624674 /nfs/dbraw/zinc/62/46/74/563624674.db2.gz ZWBDYLSWLSABAT-AWEZNQCLSA-N 0 3 333.859 4.988 40 0 EJABHN CC[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 ZINC000044935457 563928500 /nfs/dbraw/zinc/92/85/00/563928500.db2.gz PJCVLTZXEDSIEQ-OAQYLSRUSA-N 0 3 336.479 4.554 40 0 EJABHN Cc1ccc(-c2nnc([C@H]3CCCN3CC3CCCCC3)o2)s1 ZINC000060016742 563949508 /nfs/dbraw/zinc/94/95/08/563949508.db2.gz SOLCJGSERISRDY-OAHLLOKOSA-N 0 3 331.485 4.824 40 0 EJABHN CC(C)CN1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C ZINC000072214520 563984803 /nfs/dbraw/zinc/98/48/03/563984803.db2.gz SAKHFMDNNNNMFC-QGZVFWFLSA-N 0 3 347.503 4.636 40 0 EJABHN CCCN1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214636 563984819 /nfs/dbraw/zinc/98/48/19/563984819.db2.gz YIXMVAVUFBXGSD-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2CC)cn1 ZINC000072214695 563984910 /nfs/dbraw/zinc/98/49/10/563984910.db2.gz NVGHZYPQVGZKLW-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1CCC ZINC000072214739 563984917 /nfs/dbraw/zinc/98/49/17/563984917.db2.gz NWJDHXBKHNSPHD-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C)cn1 ZINC000072214992 563985072 /nfs/dbraw/zinc/98/50/72/563985072.db2.gz MZFKOPJPRLRJJT-KRWDZBQOSA-N 0 3 347.503 4.780 40 0 EJABHN CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215548 563985295 /nfs/dbraw/zinc/98/52/95/563985295.db2.gz HGRQBAFJBFWAEJ-QGZVFWFLSA-N 0 3 345.487 4.532 40 0 EJABHN Cc1nc(N2CCCC2)ccc1[C@@H]1CCCCN1Cc1ccccc1 ZINC000072218946 563985756 /nfs/dbraw/zinc/98/57/56/563985756.db2.gz BZCWEIFEUZEXTL-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1cc([C@H](N)c2ccccc2)cnc1N1CCCc2ccccc21 ZINC000072222882 563985838 /nfs/dbraw/zinc/98/58/38/563985838.db2.gz SJDPXHKXRVZXMW-OAQYLSRUSA-N 0 3 329.447 4.522 40 0 EJABHN Fc1ccc(C2=CCN(Cc3c4cccnc4[nH]c3C3CC3)CC2)cc1 ZINC000057761909 564035276 /nfs/dbraw/zinc/03/52/76/564035276.db2.gz OZXRTPBDOCVQKK-UHFFFAOYSA-N 0 3 347.437 4.869 40 0 EJABHN CCCC[C@@H](CC)CNC(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000224331057 564042404 /nfs/dbraw/zinc/04/24/04/564042404.db2.gz YIGCPSKLMAROCQ-LJQANCHMSA-N 0 3 344.543 4.865 40 0 EJABHN O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCC2)cc1 ZINC000010338269 564127784 /nfs/dbraw/zinc/12/77/84/564127784.db2.gz IABNBWXAAMFYLZ-UHFFFAOYSA-N 0 3 349.261 4.842 40 0 EJABHN Cc1ccc(NC(=O)c2ccc(CN3CCCCC3)cc2)cc1Cl ZINC000010334671 564127786 /nfs/dbraw/zinc/12/77/86/564127786.db2.gz UZYWTYBNCSOGGQ-UHFFFAOYSA-N 0 3 342.870 4.887 40 0 EJABHN C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CN2CCC(C)CC2)cc1 ZINC000030866762 202200868 /nfs/dbraw/zinc/20/08/68/202200868.db2.gz LYHKDNBYXQTMKZ-SFHVURJKSA-N 0 3 348.490 4.510 40 0 EJABHN CCOc1cc(O)cc([C@H](Cc2ccccc2)NCc2ccccc2)c1 ZINC000031923720 202212988 /nfs/dbraw/zinc/21/29/88/202212988.db2.gz VELFDPIFGLOMIY-QHCPKHFHSA-N 0 3 347.458 4.865 40 0 EJABHN Cc1ccc2oc([C@H]3CCN(Cc4cccc(Cl)c4)C3)nc2c1 ZINC000035446471 202302945 /nfs/dbraw/zinc/30/29/45/202302945.db2.gz LHUUGKQLMUDCTQ-HNNXBMFYSA-N 0 3 326.827 4.779 40 0 biogenic,in-vitro EJABHN Fc1cccc(-c2cccc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 ZINC000072348803 216160457 /nfs/dbraw/zinc/16/04/57/216160457.db2.gz DAKRJXSWRPNPIO-IBGZPJMESA-N 0 3 347.437 4.662 40 0 EJABHN Cc1cccc(-c2cccc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 ZINC000072348920 216160990 /nfs/dbraw/zinc/16/09/90/216160990.db2.gz QEGMCYJDJOFWRO-FQEVSTJZSA-N 0 3 343.474 4.832 40 0 EJABHN Cc1ccccc1CN1CCC[C@@H]1c1cccc(Nc2ccccn2)n1 ZINC000072375263 216179513 /nfs/dbraw/zinc/17/95/13/216179513.db2.gz RTRCDARWIGPSMD-HXUWFJFHSA-N 0 3 344.462 4.866 40 0 EJABHN CN(C)CCN(Cc1cccs1)Cc1ccc(Cl)c(Cl)c1 ZINC000023247842 212364080 /nfs/dbraw/zinc/36/40/80/212364080.db2.gz URGQVWZBKCBSRV-UHFFFAOYSA-N 0 3 343.323 4.619 40 0 EJABHN Cc1ccc(C)c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c1 ZINC000022525363 212304223 /nfs/dbraw/zinc/30/42/23/212304223.db2.gz GNUXNUVJQHLNNQ-UHFFFAOYSA-N 0 3 336.479 4.788 40 0 EJABHN CCn1c2ccccc2c2cc(CNC[C@H](O)c3ccccc3)ccc21 ZINC000022076210 212276288 /nfs/dbraw/zinc/27/62/88/212276288.db2.gz ZNJQJKYNVCKKJV-QHCPKHFHSA-N 0 3 344.458 4.638 40 0 EJABHN Clc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NCc2ccccn2)cc1 ZINC000019401961 212026088 /nfs/dbraw/zinc/02/60/88/212026088.db2.gz NDXXEALOHDYODB-YRPNKDGESA-N 0 3 326.871 4.797 40 0 EJABHN Cc1ccc2[nH]c([C@H]3CCN(Cc4ccc(Cl)cc4)C3)nc2c1 ZINC000049168983 204369644 /nfs/dbraw/zinc/36/96/44/204369644.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 0 3 325.843 4.514 40 0 biogenic,in-vitro EJABHN Cc1ccc2nc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)[nH]c2c1 ZINC000049168983 204369645 /nfs/dbraw/zinc/36/96/45/204369645.db2.gz NYOTXGSFKOVFGP-HNNXBMFYSA-N 0 3 325.843 4.514 40 0 biogenic,in-vitro EJABHN Cc1ccc(-c2nnc(C3CCN(Cc4cccs4)CC3)o2)s1 ZINC000019217866 212005696 /nfs/dbraw/zinc/00/56/96/212005696.db2.gz FYNLHVPBJYHBMA-UHFFFAOYSA-N 0 3 345.493 4.548 40 0 EJABHN Cc1ccc(-c2nnc(C3CCN(Cc4ccsc4)CC3)o2)s1 ZINC000019217871 212005475 /nfs/dbraw/zinc/00/54/75/212005475.db2.gz PVXYJEZGPULRQU-UHFFFAOYSA-N 0 3 345.493 4.548 40 0 EJABHN COc1ccc(CNCc2ccc(OCc3ccccc3)cc2)cc1 ZINC000007538283 210811738 /nfs/dbraw/zinc/81/17/38/210811738.db2.gz GSOUSFJZUNVOMX-UHFFFAOYSA-N 0 3 333.431 4.564 40 0 EJABHN C[C@@H]1CC2=C(C[C@H]1[C@@H]1OC[C@@H](CN3CCCCC3)O1)C(C)(C)CCC2 ZINC000012556111 207169374 /nfs/dbraw/zinc/16/93/74/207169374.db2.gz GWNYATQURCVOGA-XLBJILASSA-N 0 3 347.543 4.767 40 0 EJABHN CCC(=O)c1ccc2c(c1)N([C@H](C)CN(C)C)c1ccccc1S2 ZINC000005837011 563551864 /nfs/dbraw/zinc/55/18/64/563551864.db2.gz DHNARGHLEOUOQR-CQSZACIVSA-N 0 3 340.492 4.832 40 0 EJABHN CCCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000007261736 563598527 /nfs/dbraw/zinc/59/85/27/563598527.db2.gz UOGLGOBFZKPMRY-UHFFFAOYSA-N 0 3 333.859 4.817 40 0 EJABHN Clc1cc(Cl)cc(-c2ccc(CNC[C@H]3CCCO3)o2)c1 ZINC000007524707 563604280 /nfs/dbraw/zinc/60/42/80/563604280.db2.gz WZMILFPCUVJRPT-CQSZACIVSA-N 0 3 326.223 4.522 40 0 EJABHN CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCC ZINC000008253908 563624784 /nfs/dbraw/zinc/62/47/84/563624784.db2.gz ZWBDYLSWLSABAT-CQSZACIVSA-N 0 3 333.859 4.988 40 0 EJABHN CC[C@@H](C)NCc1cccc(OC)c1OCc1ccccc1Cl ZINC000008326032 563626559 /nfs/dbraw/zinc/62/65/59/563626559.db2.gz PQXZFTYFTVVGHO-CQSZACIVSA-N 0 3 333.859 4.816 40 0 EJABHN CC[C@H](C)NCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000008326777 563626859 /nfs/dbraw/zinc/62/68/59/563626859.db2.gz BCEFZMJGUVIFCC-AWEZNQCLSA-N 0 3 333.859 4.816 40 0 EJABHN CCCCN1CCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214803 563984900 /nfs/dbraw/zinc/98/49/00/563984900.db2.gz UQSBIEQAUXXFJN-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214816 563984967 /nfs/dbraw/zinc/98/49/67/563984967.db2.gz JTGPUQCILAPFEH-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C)cn1 ZINC000072214993 563985086 /nfs/dbraw/zinc/98/50/86/563985086.db2.gz MZFKOPJPRLRJJT-QGZVFWFLSA-N 0 3 347.503 4.780 40 0 EJABHN CCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214919 563985099 /nfs/dbraw/zinc/98/50/99/563985099.db2.gz ZMYXMXQRXRKZNR-QGZVFWFLSA-N 0 3 347.503 4.778 40 0 EJABHN Cc1cc(N2CCCC2)ncc1[C@H]1CCCCN1Cc1ccccc1 ZINC000072218887 563985662 /nfs/dbraw/zinc/98/56/62/563985662.db2.gz JBWLFTHCNTYOLO-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1cc([C@H]2CCCN2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219150 563985704 /nfs/dbraw/zinc/98/57/04/563985704.db2.gz MVXADOZFQYOTDC-OAQYLSRUSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1cc([C@@H]2CCCN2Cc2ccccc2)cnc1N1CCCCC1 ZINC000072219149 563985736 /nfs/dbraw/zinc/98/57/36/563985736.db2.gz MVXADOZFQYOTDC-NRFANRHFSA-N 0 3 335.495 4.717 40 0 EJABHN Cc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1 ZINC000005968052 564014367 /nfs/dbraw/zinc/01/43/67/564014367.db2.gz IDQKBWNAAUYKTI-UHFFFAOYSA-N 0 3 342.870 4.887 40 0 EJABHN CCOc1ccc2nc(Cl)c(CNCCc3ccccc3)cc2c1 ZINC000013535362 564020106 /nfs/dbraw/zinc/02/01/06/564020106.db2.gz ZNQQQXONYBDHIP-UHFFFAOYSA-N 0 3 340.854 4.619 40 0 EJABHN Cc1ccsc1CN(CCCO)Cc1cccc2ccccc21 ZINC000013997305 564020881 /nfs/dbraw/zinc/02/08/81/564020881.db2.gz AXVRHDXCDOVEGT-UHFFFAOYSA-N 0 3 325.477 4.594 40 0 EJABHN COc1ccc2[nH]cc([C@H]3CCN(Cc4ccc(Cl)cc4)C3)c2c1 ZINC000057744995 564035049 /nfs/dbraw/zinc/03/50/49/564035049.db2.gz DIEHEYPUACOTSS-HNNXBMFYSA-N 0 3 340.854 4.819 40 0 EJABHN Brc1ccc(CNCc2cccc3ccccc32)cc1 ZINC000034467528 564038856 /nfs/dbraw/zinc/03/88/56/564038856.db2.gz YVUJZZPGVIMFPD-UHFFFAOYSA-N 0 3 326.237 4.892 40 0 EJABHN Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccccc2)C1 ZINC000008636109 564166175 /nfs/dbraw/zinc/16/61/75/564166175.db2.gz UQAMJBAKZAGSMK-NHCUHLMSSA-N 0 3 343.474 4.691 40 0 biogenic,in-vitro EJABHN