smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1cncc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141767 203792496 /nfs/dbraw/zinc/79/24/96/203792496.db2.gz WFSVJNVGVQKKMX-LJQANCHMSA-N 0 3 356.433 3.176 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(OC(F)F)cc2)cc(C2CC2)n1 ZINC000328965609 203843896 /nfs/dbraw/zinc/84/38/96/203843896.db2.gz CENAZHUYUSKBFA-UHFFFAOYSA-N 0 3 363.412 3.094 40 0 FGABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079427471 205066795 /nfs/dbraw/zinc/06/67/95/205066795.db2.gz HPAOBEHLYZCSDI-XHSDSOJGSA-N 0 3 355.523 3.043 40 0 FGABHN Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746115 206022892 /nfs/dbraw/zinc/02/28/92/206022892.db2.gz ZYPHREITWGMBIL-VDGAXYAQSA-N 0 3 353.466 3.356 40 0 FGABHN CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 ZINC000108527948 206032986 /nfs/dbraw/zinc/03/29/86/206032986.db2.gz RNWXETWDPUYXMT-MRXNPFEDSA-N 0 3 365.905 3.125 40 0 FGABHN COc1cc(N2CCC[C@@]3(CCN(Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216576 132222494 /nfs/dbraw/zinc/22/24/94/132222494.db2.gz BLECEKFMHKSPRP-FQEVSTJZSA-N 0 3 356.470 3.188 40 0 FGABHN CN1CCCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216476 494145537 /nfs/dbraw/zinc/14/55/37/494145537.db2.gz AZBZSPBQTQNUMC-KRWDZBQOSA-N 0 3 360.502 3.296 40 0 FGABHN Nc1cc(-c2c[nH]nc2[C@@H]2CCCN(CCOc3ccccc3)C2)ccn1 ZINC000072356492 494156984 /nfs/dbraw/zinc/15/69/84/494156984.db2.gz AYZJNTQAPJOIFJ-QGZVFWFLSA-N 0 3 363.465 3.312 40 0 FGABHN COCCCNCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186359 494211078 /nfs/dbraw/zinc/21/10/78/494211078.db2.gz SHCDDBSHVQCXSO-UHFFFAOYSA-N 0 3 368.481 3.137 40 0 FGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188302 494211309 /nfs/dbraw/zinc/21/13/09/494211309.db2.gz GQYVEQVMGQTUMJ-OAQYLSRUSA-N 0 3 352.478 3.156 40 0 FGABHN CCn1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000012276756 494219368 /nfs/dbraw/zinc/21/93/68/494219368.db2.gz LXHRRDLKTCIKNR-ZLGUVYLKSA-N 0 3 357.473 3.470 40 0 FGABHN COc1ccc(C2(NCc3cn(CCC(N)=O)c4ccccc34)CC2)cc1 ZINC000012361916 494226892 /nfs/dbraw/zinc/22/68/92/494226892.db2.gz OFVYBHDHXMXXCE-UHFFFAOYSA-N 0 3 363.461 3.304 40 0 FGABHN O=C(N[C@@H](c1nccs1)[C@H]1CCCN(CC2CC2)C1)c1ccccn1 ZINC000012365843 494228208 /nfs/dbraw/zinc/22/82/08/494228208.db2.gz SEYSFPTUOOVIPS-DOTOQJQBSA-N 0 3 356.495 3.131 40 0 FGABHN Fc1ccccc1CN1CCC[C@@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012471597 494235678 /nfs/dbraw/zinc/23/56/78/494235678.db2.gz RLGXILIDWRDGNF-CQSZACIVSA-N 0 3 357.458 3.453 40 0 FGABHN Cc1cc(C)c(S(=O)(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(C)c1 ZINC000013613482 494290445 /nfs/dbraw/zinc/29/04/45/494290445.db2.gz QFQAQPVUIDTALP-HZPDHXFCSA-N 0 3 352.544 3.258 40 0 FGABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1cnc3ccccc3n1)C2 ZINC000019376667 494443639 /nfs/dbraw/zinc/44/36/39/494443639.db2.gz FPCGLKAKUORLSI-VSOVRNOCSA-N 0 3 360.461 3.145 40 0 FGABHN O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372788 494443649 /nfs/dbraw/zinc/44/36/49/494443649.db2.gz BOEPSUUHEHAJOV-PCCBWWKXSA-N 0 3 356.897 3.202 40 0 FGABHN COc1ccc(CN2CCC([C@H]3CNC(=O)c4ccccc43)CC2)cc1 ZINC000019554985 494448630 /nfs/dbraw/zinc/44/86/30/494448630.db2.gz KPBHVNDGCVJNLF-OAQYLSRUSA-N 0 3 350.462 3.434 40 0 FGABHN CN(C(=O)c1cccnc1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590887 494451687 /nfs/dbraw/zinc/45/16/87/494451687.db2.gz OFGJGSYUCHHYNG-UHFFFAOYSA-N 0 3 365.477 3.359 40 0 FGABHN CCOc1cc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)ccc1OC ZINC000022595887 494528784 /nfs/dbraw/zinc/52/87/84/494528784.db2.gz STRVWEOMXYDPHU-SXLOBPIMSA-N 0 3 356.510 3.424 40 0 FGABHN C[C@@H]1CCCCN1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000027528302 494870826 /nfs/dbraw/zinc/87/08/26/494870826.db2.gz JUCCUWNVDDWOLY-ZYHUDNBSSA-N 0 3 364.230 3.341 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047121 494998182 /nfs/dbraw/zinc/99/81/82/494998182.db2.gz CVPCGKOAUGHPCH-JOCHJYFZSA-N 0 3 367.468 3.278 40 0 FGABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096048082 494998496 /nfs/dbraw/zinc/99/84/96/494998496.db2.gz USMMEIKCFYMOMW-OAQYLSRUSA-N 0 3 369.484 3.476 40 0 FGABHN COc1ccc(CN2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048257 494999544 /nfs/dbraw/zinc/99/95/44/494999544.db2.gz NVMMFSJYEGPZKD-LEWJYISDSA-N 0 3 354.450 3.293 40 0 FGABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096048507 495000023 /nfs/dbraw/zinc/00/00/23/495000023.db2.gz JLEQOBORKYDHJM-MAUKXSAKSA-N 0 3 362.474 3.221 40 0 FGABHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2csc(C)n2)cc1 ZINC000096056582 495000087 /nfs/dbraw/zinc/00/00/87/495000087.db2.gz KWPBRXDNPVDPSX-RTBURBONSA-N 0 3 371.506 3.226 40 0 FGABHN CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2CCOC ZINC000096052440 495000315 /nfs/dbraw/zinc/00/03/15/495000315.db2.gz QVZAJXSHUZWRIT-FPOVZHCZSA-N 0 3 360.498 3.077 40 0 FGABHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)cc1 ZINC000096100248 495001329 /nfs/dbraw/zinc/00/13/29/495001329.db2.gz GSHOBOIBVSJNEY-HXUWFJFHSA-N 0 3 350.462 3.491 40 0 FGABHN Cc1ncsc1CN1CCC2(C[C@@H](OCc3cccnc3)CO2)CC1 ZINC000096106781 495002061 /nfs/dbraw/zinc/00/20/61/495002061.db2.gz WQPLCCGKSFXHGX-QGZVFWFLSA-N 0 3 359.495 3.187 40 0 FGABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215692 495007537 /nfs/dbraw/zinc/00/75/37/495007537.db2.gz SXZCZHWMJWKEMZ-OAQYLSRUSA-N 0 3 357.498 3.199 40 0 FGABHN CN(Cc1ccccc1)[C@@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220962 495007643 /nfs/dbraw/zinc/00/76/43/495007643.db2.gz WIURPJCWKQABRS-SFHVURJKSA-N 0 3 357.523 3.399 40 0 FGABHN CS(=O)(=O)N1CC2(CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000096241349 495008938 /nfs/dbraw/zinc/00/89/38/495008938.db2.gz LEMBDKQJMFQEFU-UHFFFAOYSA-N 0 3 362.520 3.062 40 0 FGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000100840393 495066425 /nfs/dbraw/zinc/06/64/25/495066425.db2.gz PJKMBJVXWCXJEX-OTWHNJEPSA-N 0 3 366.417 3.174 40 0 FGABHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)c(C)c1 ZINC000101319442 495068191 /nfs/dbraw/zinc/06/81/91/495068191.db2.gz ASDGJGNMSKPMGD-IBGZPJMESA-N 0 3 361.445 3.249 40 0 FGABHN Cc1n[nH]cc1CN1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267847 497396667 /nfs/dbraw/zinc/39/66/67/497396667.db2.gz MIZYZDLBHKUSCW-AWEZNQCLSA-N 0 3 369.498 3.163 40 0 FGABHN Cc1ccc(OCC2(O)CCN(Cc3ccc4[nH]cnc4c3)CC2)cc1 ZINC000257287621 497398871 /nfs/dbraw/zinc/39/88/71/497398871.db2.gz PQTBDKUJYWDMTR-UHFFFAOYSA-N 0 3 351.450 3.277 40 0 FGABHN Cc1ccc(OCC2(O)CCN(Cc3ccc4nc[nH]c4c3)CC2)cc1 ZINC000257287621 497398874 /nfs/dbraw/zinc/39/88/74/497398874.db2.gz PQTBDKUJYWDMTR-UHFFFAOYSA-N 0 3 351.450 3.277 40 0 FGABHN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C[C@H]3CCOC3)cc2N1 ZINC000257294175 497399858 /nfs/dbraw/zinc/39/98/58/497399858.db2.gz QSXDIHZYCFTLOZ-QHSBEEBCSA-N 0 3 358.408 3.364 40 0 FGABHN CC(=O)NCc1cccc([C@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000257302178 497400648 /nfs/dbraw/zinc/40/06/48/497400648.db2.gz SBUSYMIGSFYRLS-HXUWFJFHSA-N 0 3 357.429 3.073 40 0 FGABHN CN1CCC(Cc2cccc(F)c2)(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000257299874 497400847 /nfs/dbraw/zinc/40/08/47/497400847.db2.gz RSAKVZOVVVSKAT-UHFFFAOYSA-N 0 3 354.416 3.338 40 0 FGABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@@H](O)COCc3ccccc3)cc12 ZINC000585293453 507587038 /nfs/dbraw/zinc/58/70/38/507587038.db2.gz XEASAIAWLXPBHI-LJQANCHMSA-N 0 3 366.461 3.225 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@@H]2C1 ZINC000036734767 204386416 /nfs/dbraw/zinc/38/64/16/204386416.db2.gz VITLRXRNPGWSJZ-LRXVAGHRSA-N 0 3 352.478 3.437 40 0 FGABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(Cl)s3)c[nH]2)CC1 ZINC000072321976 205030369 /nfs/dbraw/zinc/03/03/69/205030369.db2.gz ZQVRUKUOFJBTAA-AWEZNQCLSA-N 0 3 366.918 3.259 40 0 biogenic,in-vitro FGABHN COc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)cc1 ZINC000096049232 132217501 /nfs/dbraw/zinc/21/75/01/132217501.db2.gz MHEMUVQCAYJHBI-UHFFFAOYSA-N 0 3 366.461 3.093 40 0 FGABHN Cc1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329005902 132372277 /nfs/dbraw/zinc/37/22/77/132372277.db2.gz LAKSNVXRXIQUAP-KRWDZBQOSA-N 0 3 360.889 3.430 40 0 FGABHN O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1 ZINC000017075525 263372320 /nfs/dbraw/zinc/37/23/20/263372320.db2.gz ODIHKORNWOSIJW-SFHVURJKSA-N 0 3 367.836 3.286 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)cc(C)c1 ZINC000001710831 493798435 /nfs/dbraw/zinc/79/84/35/493798435.db2.gz GQVUMCWXXJPOHD-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1ccccc1-c1nccnc1[C@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072359057 494156660 /nfs/dbraw/zinc/15/66/60/494156660.db2.gz WNLDLYYYEDREKV-KRWDZBQOSA-N 0 3 363.465 3.265 40 0 FGABHN COc1ccc(CN2CCC(O)(c3ccccc3F)CC2)cc1CN(C)C ZINC000012240559 494217185 /nfs/dbraw/zinc/21/71/85/494217185.db2.gz HMEURGKQFNTTOF-UHFFFAOYSA-N 0 3 372.484 3.380 40 0 FGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000012329985 494225628 /nfs/dbraw/zinc/22/56/28/494225628.db2.gz QRNVFCBDGINPCI-UXHICEINSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1cc(C)c(S(=O)(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c(C)c1 ZINC000013613488 494290283 /nfs/dbraw/zinc/29/02/83/494290283.db2.gz QFQAQPVUIDTALP-HOTGVXAUSA-N 0 3 352.544 3.258 40 0 FGABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013675000 494292298 /nfs/dbraw/zinc/29/22/98/494292298.db2.gz UDZUYLAPGIFGQW-GJZGRUSLSA-N 0 3 358.935 3.127 40 0 FGABHN Cc1ccc([C@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019136104 494437250 /nfs/dbraw/zinc/43/72/50/494437250.db2.gz WLSUASXLJKKMGQ-OXJNMPFZSA-N 0 3 364.493 3.288 40 0 FGABHN CC1CCC(NC(=O)[C@@H]2CN(C)C[C@]23CCc2ccccc2C3=O)CC1 ZINC000019496016 494445844 /nfs/dbraw/zinc/44/58/44/494445844.db2.gz PUHLDULZHIVREK-JVCWNBPMSA-N 0 3 354.494 3.058 40 0 FGABHN CCOc1ncc(C2(O)CCN(Cc3ccccc3C)CC2)c(OCC)n1 ZINC000019531745 494448004 /nfs/dbraw/zinc/44/80/04/494448004.db2.gz BDWXTXXKLHBJPJ-UHFFFAOYSA-N 0 3 371.481 3.066 40 0 FGABHN CCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527395 494448108 /nfs/dbraw/zinc/44/81/08/494448108.db2.gz LJIZRFPIKGGEBR-QFIPXVFZSA-N 0 3 363.505 3.481 40 0 FGABHN COc1ccccc1CN1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019570267 494449934 /nfs/dbraw/zinc/44/99/34/494449934.db2.gz GGOGGEZBXDLDLE-CYBMUJFWSA-N 0 3 373.407 3.450 40 0 FGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019566145 494450015 /nfs/dbraw/zinc/45/00/15/494450015.db2.gz FLFPIEHRHLBVIE-QGZVFWFLSA-N 0 3 362.433 3.154 40 0 FGABHN Cc1ccc(-c2cc(C(=O)Nc3ccnn3C3CCN(C)CC3)no2)cc1 ZINC000019665726 494453540 /nfs/dbraw/zinc/45/35/40/494453540.db2.gz RUXYGRFSRNGAAZ-UHFFFAOYSA-N 0 3 365.437 3.366 40 0 FGABHN O=C(Nc1ccccc1CN1CCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019659879 494454311 /nfs/dbraw/zinc/45/43/11/494454311.db2.gz AWRBONJFACGYLU-GOSISDBHSA-N 0 3 369.509 3.402 40 0 FGABHN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cn(C)c4ccccc34)O2)n1 ZINC000096040885 494998825 /nfs/dbraw/zinc/99/88/25/494998825.db2.gz FTZDXTJHUGYKRC-QRVBRYPASA-N 0 3 352.438 3.364 40 0 FGABHN CNC(=O)C[C@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096052577 494999735 /nfs/dbraw/zinc/99/97/35/494999735.db2.gz KSGGGCNLNGKGCR-KRWDZBQOSA-N 0 3 367.493 3.449 40 0 FGABHN O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050766 495000222 /nfs/dbraw/zinc/00/02/22/495000222.db2.gz HXLNDTYQYJXUSI-LJQANCHMSA-N 0 3 356.447 3.106 40 0 FGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076227 495000657 /nfs/dbraw/zinc/00/06/57/495000657.db2.gz HFGZCIUEANNHLP-JOCHJYFZSA-N 0 3 367.493 3.198 40 0 FGABHN c1ccc(COC[C@@H]2CC3(CO2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106176 495002188 /nfs/dbraw/zinc/00/21/88/495002188.db2.gz TYVTYQMFSKIWNM-FQEVSTJZSA-N 0 3 353.466 3.065 40 0 FGABHN Cc1noc(C)c1CN1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158108 495005365 /nfs/dbraw/zinc/00/53/65/495005365.db2.gz CBVNYLKGROVINV-LJQANCHMSA-N 0 3 359.495 3.481 40 0 FGABHN O=C(CC(F)(F)F)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158504 495005664 /nfs/dbraw/zinc/00/56/64/495005664.db2.gz FNRHWAZWFIWSNE-UHFFFAOYSA-N 0 3 355.404 3.239 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N(C)C)c2ccccc23)o1 ZINC000096187364 495006369 /nfs/dbraw/zinc/00/63/69/495006369.db2.gz HLLRGGNIFQLYJZ-IBGZPJMESA-N 0 3 354.450 3.239 40 0 FGABHN O=C(C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206085 495006719 /nfs/dbraw/zinc/00/67/19/495006719.db2.gz HUPFGFPTROPFFA-NXHRZFHOSA-N 0 3 357.479 3.009 40 0 FGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096223430 495007434 /nfs/dbraw/zinc/00/74/34/495007434.db2.gz USTHHVVYJDPNIW-LPHOPBHVSA-N 0 3 358.511 3.106 40 0 FGABHN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228787 495007714 /nfs/dbraw/zinc/00/77/14/495007714.db2.gz TWUDDKPEHOYNPH-JOCHJYFZSA-N 0 3 367.493 3.133 40 0 FGABHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096226092 495007820 /nfs/dbraw/zinc/00/78/20/495007820.db2.gz RNHPNNPQRBIJBS-OAQYLSRUSA-N 0 3 373.472 3.243 40 0 FGABHN Cc1ccc2[nH]cc(CCN[C@@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 ZINC000105331226 495356574 /nfs/dbraw/zinc/35/65/74/495356574.db2.gz DXAVGJJPVPNAND-HXUWFJFHSA-N 0 3 361.445 3.249 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914310 496926808 /nfs/dbraw/zinc/92/68/08/496926808.db2.gz LPAQBXVYIBNNSL-JLMWRMLUSA-N 0 3 352.478 3.437 40 0 FGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223253397 497033757 /nfs/dbraw/zinc/03/37/57/497033757.db2.gz UZBMNNJJKJTRCZ-GJZGRUSLSA-N 0 3 366.943 3.331 40 0 FGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223253571 497034544 /nfs/dbraw/zinc/03/45/44/497034544.db2.gz UZBMNNJJKJTRCZ-HUUCEWRRSA-N 0 3 366.943 3.331 40 0 FGABHN CN1CCC(Oc2ccc(CNC(=S)Nc3cccnc3)cc2)CC1 ZINC000225773920 497074999 /nfs/dbraw/zinc/07/49/99/497074999.db2.gz RMCAVZFYGPVRRF-UHFFFAOYSA-N 0 3 356.495 3.041 40 0 FGABHN Cc1cccc(CN2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)n1 ZINC000257320324 497404312 /nfs/dbraw/zinc/40/43/12/497404312.db2.gz VWGPOMUIENMJOF-JRGCBEDISA-N 0 3 353.466 3.234 40 0 FGABHN CCN(CC)CCCN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000575420958 505975521 /nfs/dbraw/zinc/97/55/21/505975521.db2.gz LLYDMXCNKSBQOB-GOSISDBHSA-N 0 3 372.962 3.061 40 0 FGABHN CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccco3)CC2)C1 ZINC000306135773 498739864 /nfs/dbraw/zinc/73/98/64/498739864.db2.gz PAFGHSXKUBLOIC-UHFFFAOYSA-N 0 3 369.494 3.036 40 0 FGABHN Cc1cccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306144427 498742383 /nfs/dbraw/zinc/74/23/83/498742383.db2.gz ZEUJQNNKQPHTSU-LJQANCHMSA-N 0 3 370.460 3.484 40 0 FGABHN COc1ccccc1C(=O)N1CCC[C@H](N2CCc3ccccc3C2)C1 ZINC000408613040 499593114 /nfs/dbraw/zinc/59/31/14/499593114.db2.gz WRKTZPJBOAWZAK-IBGZPJMESA-N 0 3 350.462 3.358 40 0 FGABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103295 507568474 /nfs/dbraw/zinc/56/84/74/507568474.db2.gz AVDZGKXVEVGDOW-QHCPKHFHSA-N 0 3 364.489 3.246 40 0 FGABHN Cc1ccc(CN2CC3(C2)CC[C@H](CN(C)Cc2cccnc2)CO3)o1 ZINC000585104154 507569950 /nfs/dbraw/zinc/56/99/50/507569950.db2.gz GIXLPTZTDHERHG-LJQANCHMSA-N 0 3 355.482 3.096 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585285755 507586186 /nfs/dbraw/zinc/58/61/86/507586186.db2.gz SPNGWHYTOKQVPZ-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccnc2ccccc12 ZINC000585292253 507586943 /nfs/dbraw/zinc/58/69/43/507586943.db2.gz GKWVYDZYEABZCG-HMXCVIKNSA-N 0 3 368.864 3.209 40 0 FGABHN CCN(CC)Cc1c2cc(C)cn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019526438 204687325 /nfs/dbraw/zinc/68/73/25/204687325.db2.gz CHVHAUZYOBDFFZ-UHFFFAOYSA-N 0 3 370.419 3.245 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964097 205047826 /nfs/dbraw/zinc/04/78/26/205047826.db2.gz ZTEPCVIVXJWHGD-KRWDZBQOSA-N 0 3 364.380 3.254 40 0 FGABHN Cc1noc(C)c1CN1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC000096199643 205849223 /nfs/dbraw/zinc/84/92/23/205849223.db2.gz YCDQWQSYZRLAMU-IBGZPJMESA-N 0 3 353.466 3.272 40 0 FGABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccccc3)C([O-])=C2ON1c1ccccc1 ZINC000102726660 206230113 /nfs/dbraw/zinc/23/01/13/206230113.db2.gz QJJLUJITDYPBBY-IPMKNSEASA-N 0 3 350.418 3.411 40 0 FGABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000102726660 206230117 /nfs/dbraw/zinc/23/01/17/206230117.db2.gz QJJLUJITDYPBBY-IPMKNSEASA-N 0 3 350.418 3.411 40 0 FGABHN Cn1c2ccc(CN(Cc3ccccc3)C[C@@H]3CCCO3)cc2n(C)c1=O ZINC000013993389 206306948 /nfs/dbraw/zinc/30/69/48/206306948.db2.gz SDOMACRRJBQABF-IBGZPJMESA-N 0 3 365.477 3.058 40 0 FGABHN O[C@@H]1C[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)N(CC2CCCCC2)C1 ZINC000015674970 206316083 /nfs/dbraw/zinc/31/60/83/206316083.db2.gz YBDJRSMKOUEFFK-CVEARBPZSA-N 0 3 371.437 3.153 40 0 biogenic,in-vitro FGABHN Cc1nn(C)c(C)c1CNCCC(=O)Sc1nc2ccccc2s1 ZINC000035323755 494075071 /nfs/dbraw/zinc/07/50/71/494075071.db2.gz NRBJQXXEDUQNDE-UHFFFAOYSA-N 0 3 360.508 3.445 40 0 FGABHN O=C(CCc1ccc(F)cc1)N1CCNC[C@H](COCc2ccccc2)C1 ZINC000072354538 494157491 /nfs/dbraw/zinc/15/74/91/494157491.db2.gz CNJUCPWYDCTQCM-FQEVSTJZSA-N 0 3 370.468 3.023 40 0 FGABHN Cn1cc(CN2CCC[C@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359051 494157665 /nfs/dbraw/zinc/15/76/65/494157665.db2.gz CHPOIXNMMGRVCX-KRWDZBQOSA-N 0 3 351.429 3.396 40 0 FGABHN COc1cc2c(cc1C[N@@H+]1[C@@H]3CC[C@H]1Cc1c(=O)[n-]c(C)nc1C3)CCC2 ZINC000072373031 494160056 /nfs/dbraw/zinc/16/00/56/494160056.db2.gz CBOOBMOXIDYEJA-ZWKOTPCHSA-N 0 3 365.477 3.120 40 0 FGABHN COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1c(=O)[n-]c(C)nc1C3)CCC2 ZINC000072373031 494160057 /nfs/dbraw/zinc/16/00/57/494160057.db2.gz CBOOBMOXIDYEJA-ZWKOTPCHSA-N 0 3 365.477 3.120 40 0 FGABHN CCn1cc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)c(C)n1 ZINC000072394188 494163402 /nfs/dbraw/zinc/16/34/02/494163402.db2.gz NGNQGHMVEWLKGJ-UHFFFAOYSA-N 0 3 368.525 3.379 40 0 FGABHN OC1(Cn2ccc3nc(Cl)ccc32)CCN(Cc2ccncc2)CC1 ZINC000012089014 494203524 /nfs/dbraw/zinc/20/35/24/494203524.db2.gz LVUCEMBEDCELRI-UHFFFAOYSA-N 0 3 356.857 3.112 40 0 FGABHN Cc1nccn1CC1(O)CCN(Cc2cc(Cl)c(C)c(C)c2N)CC1 ZINC000012221439 494214938 /nfs/dbraw/zinc/21/49/38/494214938.db2.gz BGPQSVHDOXXKFZ-UHFFFAOYSA-N 0 3 362.905 3.071 40 0 FGABHN CCOc1ccc([C@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292360 494219486 /nfs/dbraw/zinc/21/94/86/494219486.db2.gz QGDBVPNSAZMHIL-HXUWFJFHSA-N 0 3 359.441 3.241 40 0 FGABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329421 494224958 /nfs/dbraw/zinc/22/49/58/494224958.db2.gz JJEXCFPEDNMFBP-PMACEKPBSA-N 0 3 353.462 3.379 40 0 FGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329268 494225078 /nfs/dbraw/zinc/22/50/78/494225078.db2.gz XFDAIEMYKLXDJO-OALUTQOASA-N 0 3 357.425 3.210 40 0 FGABHN Cc1ccc2occ(CN(CCN(C)C)Cc3cccnc3)c(=O)c2c1 ZINC000019219775 494438102 /nfs/dbraw/zinc/43/81/02/494438102.db2.gz ZGWPYRHBLXYTMQ-UHFFFAOYSA-N 0 3 351.450 3.060 40 0 FGABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3cccc(OC)c3)C2)no1 ZINC000019503699 494445947 /nfs/dbraw/zinc/44/59/47/494445947.db2.gz VPQBSPWYCDOTHQ-MRXNPFEDSA-N 0 3 357.454 3.203 40 0 FGABHN Cc1c2ccccc2oc1C(=O)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019566148 494450319 /nfs/dbraw/zinc/45/03/19/494450319.db2.gz FLFPIEHRHLBVIE-KRWDZBQOSA-N 0 3 362.433 3.154 40 0 FGABHN Cc1cc(C[N@@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567993 494450432 /nfs/dbraw/zinc/45/04/32/494450432.db2.gz LXCKWZAVDJLEMR-UHFFFAOYSA-N 0 3 366.490 3.111 40 0 FGABHN Cc1cc(C[N@H+]2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c(C)s1 ZINC000019567993 494450435 /nfs/dbraw/zinc/45/04/35/494450435.db2.gz LXCKWZAVDJLEMR-UHFFFAOYSA-N 0 3 366.490 3.111 40 0 FGABHN Cc1cc(C)c(-n2cccn2)c(CN(CCN(C)C)Cc2cccnc2)c1 ZINC000019566877 494450477 /nfs/dbraw/zinc/45/04/77/494450477.db2.gz LUYYFSGBFKMGTE-UHFFFAOYSA-N 0 3 363.509 3.448 40 0 FGABHN Cc1nc2ccc(F)cc2cc1C(=O)Nc1ccnn1C1CCN(C)CC1 ZINC000019666892 494453600 /nfs/dbraw/zinc/45/36/00/494453600.db2.gz GYYUYTFANLBHTC-UHFFFAOYSA-N 0 3 367.428 3.398 40 0 FGABHN CCN(C(=O)COc1cc(C)nc2ccc(C)cc21)C1CCN(C)CC1 ZINC000019655449 494453694 /nfs/dbraw/zinc/45/36/94/494453694.db2.gz LNMNMBLTHUWRIU-UHFFFAOYSA-N 0 3 355.482 3.173 40 0 FGABHN Cc1nc(-c2cncnc2[C@H]2CCN(Cc3ccccc3Cl)C2)no1 ZINC000019693791 494455078 /nfs/dbraw/zinc/45/50/78/494455078.db2.gz HEVZDHBFWWWYQR-AWEZNQCLSA-N 0 3 355.829 3.478 40 0 FGABHN c1cncc(COC[C@]23CCCO[C@@H]2CCN(Cc2ccncc2)C3)c1 ZINC000096040103 494997762 /nfs/dbraw/zinc/99/77/62/494997762.db2.gz PHLHKOLRWDDKET-NHCUHLMSSA-N 0 3 353.466 3.065 40 0 FGABHN COc1ccc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000096062405 494999490 /nfs/dbraw/zinc/99/94/90/494999490.db2.gz HOGMRNNLBUQERZ-OAQYLSRUSA-N 0 3 372.534 3.481 40 0 FGABHN Cc1nc(COC[C@]23COC[C@H]2CN(Cc2cccs2)C3)cs1 ZINC000096108905 495001936 /nfs/dbraw/zinc/00/19/36/495001936.db2.gz PZTGQGSWCORFCO-PBHICJAKSA-N 0 3 350.509 3.178 40 0 FGABHN Cc1ncsc1CN1CCC2(C[C@H](OCc3cccnc3)CO2)CC1 ZINC000096106780 495002269 /nfs/dbraw/zinc/00/22/69/495002269.db2.gz WQPLCCGKSFXHGX-KRWDZBQOSA-N 0 3 359.495 3.187 40 0 FGABHN CN(C)CCNC(=O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn21 ZINC000096155228 495005778 /nfs/dbraw/zinc/00/57/78/495005778.db2.gz IMIOOHWWDVVNOQ-UHFFFAOYSA-N 0 3 373.460 3.083 40 0 FGABHN c1csc(CN2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096206785 495006844 /nfs/dbraw/zinc/00/68/44/495006844.db2.gz NIDYRTVIRQRXRG-HKUYNNGSSA-N 0 3 351.512 3.315 40 0 FGABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000100750205 495066138 /nfs/dbraw/zinc/06/61/38/495066138.db2.gz HFBNROMBRVZSAM-KPLVRAHFSA-N 0 3 366.509 3.245 40 0 FGABHN COc1cc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)ccc1O ZINC000247913421 496926577 /nfs/dbraw/zinc/92/65/77/496926577.db2.gz VIWZXVCCPCEWEL-XERREHJYSA-N 0 3 357.425 3.270 40 0 FGABHN c1ccc(COCC[C@@H]2CCOC23CCN(Cc2cccnc2)CC3)nc1 ZINC000247912254 496927019 /nfs/dbraw/zinc/92/70/19/496927019.db2.gz YPJAXHUCAJEMOL-HXUWFJFHSA-N 0 3 367.493 3.455 40 0 FGABHN COc1ccc(OC[C@@H](C)NCc2cnc(N3CCC[C@H](C)C3)nc2)cc1 ZINC000253613684 497346616 /nfs/dbraw/zinc/34/66/16/497346616.db2.gz ARRIVEKUSOJVQK-DLBZAZTESA-N 0 3 370.497 3.279 40 0 FGABHN O=C(CC1CCCCC1)N1CCNC[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257210102 497390098 /nfs/dbraw/zinc/39/00/98/497390098.db2.gz BTENXQVQGWREBJ-GOSISDBHSA-N 0 3 366.509 3.191 40 0 FGABHN Cc1cc(N)cc([C@H]2CN(C(=O)CCc3ccc(Cl)cc3)CCO2)n1 ZINC000257207256 497390249 /nfs/dbraw/zinc/39/02/49/497390249.db2.gz BHACINXDWYVONE-GOSISDBHSA-N 0 3 359.857 3.158 40 0 FGABHN Cc1csc(Nc2cc([C@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215226 497392342 /nfs/dbraw/zinc/39/23/42/497392342.db2.gz CPFAMRJSMYXFPJ-AWEZNQCLSA-N 0 3 369.498 3.396 40 0 FGABHN COc1cc(CN2CCC3(CC(N(C)c4ccncn4)C3)C2)ccc1F ZINC000257228404 497393343 /nfs/dbraw/zinc/39/33/43/497393343.db2.gz FTRYBZZGQDHKDO-UHFFFAOYSA-N 0 3 356.445 3.115 40 0 FGABHN Cc1cccc(Nc2cc([C@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343789 497405480 /nfs/dbraw/zinc/40/54/80/497405480.db2.gz ZUKSYJJAQHOMGL-INIZCTEOSA-N 0 3 363.469 3.335 40 0 FGABHN Cc1nc2c(n1C(C)C)CN(Cc1cccnc1)CC21CCN(C)CC1 ZINC000306126651 498739065 /nfs/dbraw/zinc/73/90/65/498739065.db2.gz FAYDAVCFAJQWKC-UHFFFAOYSA-N 0 3 353.514 3.147 40 0 FGABHN Cc1ccc(Nc2cc(-c3ccccc3)nc(NCCN(C)C)n2)cc1F ZINC000329013965 499016474 /nfs/dbraw/zinc/01/64/74/499016474.db2.gz MSUNUQLDBYHOFU-UHFFFAOYSA-N 0 3 365.456 3.152 40 0 FGABHN Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@H](CN2CC2CCCCC2)C1 ZINC000585107963 507573864 /nfs/dbraw/zinc/57/38/64/507573864.db2.gz NGENNOOBWPBCDV-MOPGFXCFSA-N 0 3 362.539 3.270 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000585283000 507584242 /nfs/dbraw/zinc/58/42/42/507584242.db2.gz AKUJQTUZWLBXEE-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN Cc1cccc(O[C@@H]2CCC[C@H](NCCOc3cccc(F)c3)[C@H]2O)c1 ZINC000585289606 507586247 /nfs/dbraw/zinc/58/62/47/507586247.db2.gz SDKXGEKAUALMQJ-PWRODBHTSA-N 0 3 359.441 3.464 40 0 FGABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 ZINC000585290067 507586535 /nfs/dbraw/zinc/58/65/35/507586535.db2.gz RLORXFPSXUUUQI-IPMKNSEASA-N 0 3 352.906 3.027 40 0 FGABHN Cc1ccc2cc(CNC[C@H](O)COc3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000585286192 507586967 /nfs/dbraw/zinc/58/69/67/507586967.db2.gz XAONUVNLPHIIDF-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN C[C@@]1(O)CCN(CC2CCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CC1 ZINC000514289638 560032307 /nfs/dbraw/zinc/03/23/07/560032307.db2.gz ACSQKDBPRVHYTE-JAXLGGSGSA-N 0 3 356.510 3.269 40 0 biogenic,in-vitro FGABHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000685938951 568434625 /nfs/dbraw/zinc/43/46/25/568434625.db2.gz HQMWMOHLMWYEOC-RLLQIKCJSA-N 0 3 359.514 3.240 40 0 FGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccccc3)CC1)C[C@@H]2O ZINC000012293302 219975971 /nfs/dbraw/zinc/97/59/71/219975971.db2.gz NLBZCFOSXWZRHN-VQTJNVASSA-N 0 3 369.461 3.079 40 0 FGABHN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000006617275 204257636 /nfs/dbraw/zinc/25/76/36/204257636.db2.gz GLAIIEFQDDCTQE-VMBXEPDQSA-N 0 3 361.526 3.073 40 0 FGABHN COc1ccc(CCNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848935 205043683 /nfs/dbraw/zinc/04/36/83/205043683.db2.gz CTWPQEHQTBXFPK-IBGZPJMESA-N 0 3 370.468 3.405 40 0 FGABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964089 205047220 /nfs/dbraw/zinc/04/72/20/205047220.db2.gz DPYOFCDTDNLGHP-SFHVURJKSA-N 0 3 360.417 3.424 40 0 FGABHN CN(C)C(=O)[C@@H]1OC2(CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000096058366 205813786 /nfs/dbraw/zinc/81/37/86/205813786.db2.gz UDNZOQDLVUJPNZ-GOSISDBHSA-N 0 3 356.491 3.399 40 0 FGABHN Cc1cncc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)c1 ZINC000107746112 206022372 /nfs/dbraw/zinc/02/23/72/206022372.db2.gz ZYPHREITWGMBIL-FFZOFVMBSA-N 0 3 353.466 3.356 40 0 FGABHN CC1CCN(C[C@@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000005307036 206194520 /nfs/dbraw/zinc/19/45/20/206194520.db2.gz BQPSDYNEQPFMBN-GFCCVEGCSA-N 0 3 364.230 3.199 40 0 FGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461221 206369822 /nfs/dbraw/zinc/36/98/22/206369822.db2.gz GENZUWQEDZYTAD-ACRUOGEOSA-N 0 3 373.518 3.225 40 0 FGABHN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccncc1)CCCC3 ZINC000045506754 220972880 /nfs/dbraw/zinc/97/28/80/220972880.db2.gz JYCNMGJHVNKCCF-KRWDZBQOSA-N 0 3 364.449 3.332 40 0 FGABHN CC1(C)[C@H](OC[C@@H](O)CN(CCO)Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000002679800 493815237 /nfs/dbraw/zinc/81/52/37/493815237.db2.gz GLAIIEFQDDCTQE-BPBCIEFSSA-N 0 3 361.526 3.073 40 0 FGABHN CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H](N)c3ccccc3)cn2)CC1 ZINC000072225576 494145783 /nfs/dbraw/zinc/14/57/83/494145783.db2.gz UXIXLCVUHHMEQZ-IBGZPJMESA-N 0 3 368.481 3.187 40 0 FGABHN COc1cccc(CN2CCCC[C@H]3CN(C(=O)c4cccnc4)C[C@H]32)c1 ZINC000072330716 494152795 /nfs/dbraw/zinc/15/27/95/494152795.db2.gz LXUKOMJNVOYIFX-PZJWPPBQSA-N 0 3 365.477 3.217 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340980 494154680 /nfs/dbraw/zinc/15/46/80/494154680.db2.gz RAEYJWJNGGKLRB-KPLVRAHFSA-N 0 3 367.493 3.167 40 0 FGABHN COc1cccc(-c2cncc([C@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072359725 494157219 /nfs/dbraw/zinc/15/72/19/494157219.db2.gz UYNPNMCWFRSXOU-SFHVURJKSA-N 0 3 363.465 3.265 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393041 494163209 /nfs/dbraw/zinc/16/32/09/494163209.db2.gz VKIBVPZSHLJXQV-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393041 494163213 /nfs/dbraw/zinc/16/32/13/494163213.db2.gz VKIBVPZSHLJXQV-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC[C@@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119167 494205812 /nfs/dbraw/zinc/20/58/12/494205812.db2.gz GXYNGJFWIHXDHZ-GOSISDBHSA-N 0 3 365.433 3.390 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012292568 494219827 /nfs/dbraw/zinc/21/98/27/494219827.db2.gz SHVUQXNNQBSXKG-NRFANRHFSA-N 0 3 367.489 3.201 40 0 FGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293315 494220628 /nfs/dbraw/zinc/22/06/28/494220628.db2.gz WRNMOFLGJASCSV-UXHICEINSA-N 0 3 369.461 3.079 40 0 FGABHN COc1ccc(C)cc1CN1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000014001514 494300434 /nfs/dbraw/zinc/30/04/34/494300434.db2.gz YXJNKCOOOKHNIR-QFIPXVFZSA-N 0 3 350.462 3.324 40 0 FGABHN COc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567635 494450605 /nfs/dbraw/zinc/45/06/05/494450605.db2.gz SIVRPSKTRGKGGI-INIZCTEOSA-N 0 3 366.421 3.138 40 0 FGABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575934 494451069 /nfs/dbraw/zinc/45/10/69/494451069.db2.gz OTXJAWDMHUKOCI-SOUVJXGZSA-N 0 3 369.490 3.196 40 0 FGABHN CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccc(N2CCCC2=O)cc1 ZINC000019712433 494456141 /nfs/dbraw/zinc/45/61/41/494456141.db2.gz VTZFAZUPEBKIAB-LEWJYISDSA-N 0 3 369.509 3.179 40 0 FGABHN Cn1cc(CN2CC[C@@H](C(=O)Nc3ccccn3)C2)c2cc(F)ccc21 ZINC000019747810 494458945 /nfs/dbraw/zinc/45/89/45/494458945.db2.gz LSSPRMSZXMBMPR-CQSZACIVSA-N 0 3 352.413 3.173 40 0 FGABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)CC1 ZINC000067898527 494688014 /nfs/dbraw/zinc/68/80/14/494688014.db2.gz YPIOVCGWQOCFPR-SFHVURJKSA-N 0 3 360.889 3.198 40 0 biogenic,in-vitro FGABHN O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050762 494999950 /nfs/dbraw/zinc/99/99/50/494999950.db2.gz QCOAGZUBGOURBJ-LJQANCHMSA-N 0 3 356.447 3.106 40 0 FGABHN COc1ncccc1CN1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC000096208916 495006855 /nfs/dbraw/zinc/00/68/55/495006855.db2.gz HLJPQKIVGWHNEO-CTNGQTDRSA-N 0 3 353.466 3.304 40 0 FGABHN c1ccc(CN2CCC3(CO[C@@H](COCc4cccnc4)C3)CC2)nc1 ZINC000096209572 495006873 /nfs/dbraw/zinc/00/68/73/495006873.db2.gz SXSRCJUVJQRLEH-HXUWFJFHSA-N 0 3 353.466 3.065 40 0 FGABHN O=C(c1cscn1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216310 495007681 /nfs/dbraw/zinc/00/76/81/495007681.db2.gz CDPOYEQXXBJFPT-FQEVSTJZSA-N 0 3 371.506 3.150 40 0 FGABHN COCC(=O)N[C@@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096241484 495009177 /nfs/dbraw/zinc/00/91/77/495009177.db2.gz OKLYXRWCZUYMHJ-LJQANCHMSA-N 0 3 354.450 3.021 40 0 FGABHN COc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000247886578 496925404 /nfs/dbraw/zinc/92/54/04/496925404.db2.gz LATIFVFCHPNAAX-GHTZIAJQSA-N 0 3 356.441 3.172 40 0 FGABHN O=C(c1cc2ccccc2o1)N1Cc2ccnn2[C@@H](CN2CCCCC2)C1 ZINC000247951971 496931284 /nfs/dbraw/zinc/93/12/84/496931284.db2.gz SZWDAXMNNYMPQP-SFHVURJKSA-N 0 3 364.449 3.312 40 0 FGABHN O[C@@]1(c2ccccc2)CCN(Cc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000247957512 496932380 /nfs/dbraw/zinc/93/23/80/496932380.db2.gz OGKGTIPNROVSPT-YADHBBJMSA-N 0 3 353.462 3.338 40 0 FGABHN O=S(=O)([N-]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccs1 ZINC000224697577 497051970 /nfs/dbraw/zinc/05/19/70/497051970.db2.gz DQEAIZBPUOPVMD-UHFFFAOYSA-N 0 3 350.509 3.213 40 0 FGABHN COc1ccc(CC(=O)NCCCN2CCc3ccccc3C2)cc1C ZINC000225846940 497077039 /nfs/dbraw/zinc/07/70/39/497077039.db2.gz HHQUXPZLWLENGW-UHFFFAOYSA-N 0 3 352.478 3.111 40 0 FGABHN CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2CN(C3CCC3)CCN21 ZINC000253408935 497331679 /nfs/dbraw/zinc/33/16/79/497331679.db2.gz ZAQVXDXNMNKFKC-SFHVURJKSA-N 0 3 361.917 3.113 40 0 biogenic,in-vitro FGABHN Cc1cccc(C(=O)N2CCN(C)C[C@@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257249854 497395583 /nfs/dbraw/zinc/39/55/83/497395583.db2.gz JJZYCXADESXXDG-LJQANCHMSA-N 0 3 374.488 3.185 40 0 FGABHN C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103072 507568520 /nfs/dbraw/zinc/56/85/20/507568520.db2.gz CDAIHZRRAVLUQB-PXNSSMCTSA-N 0 3 372.509 3.135 40 0 FGABHN C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103072 507568526 /nfs/dbraw/zinc/56/85/26/507568526.db2.gz CDAIHZRRAVLUQB-PXNSSMCTSA-N 0 3 372.509 3.135 40 0 FGABHN Cc1ccc2cc(CNC[C@H](O)COc3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000585286449 507586129 /nfs/dbraw/zinc/58/61/29/507586129.db2.gz ZYMRPYLNVFYZIQ-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc2ncccc2c1 ZINC000585292980 507586994 /nfs/dbraw/zinc/58/69/94/507586994.db2.gz QMBMTHMLSHRPIV-HMXCVIKNSA-N 0 3 368.864 3.209 40 0 FGABHN CO[C@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000626571953 571145719 /nfs/dbraw/zinc/14/57/19/571145719.db2.gz NJEXXPRVVCUGCU-VBNZEHGJSA-N 0 3 371.403 3.209 40 0 FGABHN Cc1ccc(CN2CCC3(CC[C@H]3NC(=O)c3cnccn3)CC2)s1 ZINC000096051491 205812106 /nfs/dbraw/zinc/81/21/06/205812106.db2.gz PRWPEYBVRHPOLY-QGZVFWFLSA-N 0 3 356.495 3.021 40 0 FGABHN c1cncc(COC[C@@]23CCCO[C@@H]2CCN(Cc2cccnc2)C3)c1 ZINC000107712289 206021047 /nfs/dbraw/zinc/02/10/47/206021047.db2.gz OXJBSEONSREVAP-RTWAWAEBSA-N 0 3 353.466 3.065 40 0 FGABHN COc1ccc(CN2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000107730598 206024114 /nfs/dbraw/zinc/02/41/14/206024114.db2.gz NVMMFSJYEGPZKD-RTWAWAEBSA-N 0 3 354.450 3.293 40 0 FGABHN Cc1ccc(OCCOC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000004942397 206183772 /nfs/dbraw/zinc/18/37/72/206183772.db2.gz JWCPBPCISMFPBK-NRFANRHFSA-N 0 3 355.478 3.118 40 0 FGABHN CCc1cccc2cc(CNCCc3cccc(OC)c3OC)c(=O)[nH]c21 ZINC000013998844 206308282 /nfs/dbraw/zinc/30/82/82/206308282.db2.gz NLUQSMSWRUPYCZ-UHFFFAOYSA-N 0 3 366.461 3.440 40 0 FGABHN Cc1nc([C@H]2CCCN2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257290509 132296804 /nfs/dbraw/zinc/29/68/04/132296804.db2.gz QDFSWTWCWXEGTP-GOSISDBHSA-N 0 3 350.466 3.122 40 0 FGABHN COCCCNCc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000036612750 494092737 /nfs/dbraw/zinc/09/27/37/494092737.db2.gz XRHCCNGOSZPBNF-UHFFFAOYSA-N 0 3 356.466 3.447 40 0 FGABHN CCn1cc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000072340441 494153778 /nfs/dbraw/zinc/15/37/78/494153778.db2.gz VUTKKGDZKVMGFB-DQLDELGASA-N 0 3 357.473 3.470 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072372994 494160036 /nfs/dbraw/zinc/16/00/36/494160036.db2.gz VPEZJHPWEBTPDZ-DLBZAZTESA-N 0 3 353.466 3.410 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(OC(C)C)cc1 ZINC000072372994 494160038 /nfs/dbraw/zinc/16/00/38/494160038.db2.gz VPEZJHPWEBTPDZ-DLBZAZTESA-N 0 3 353.466 3.410 40 0 FGABHN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1CN1CCCCC1 ZINC000012219620 494215224 /nfs/dbraw/zinc/21/52/24/494215224.db2.gz SACLZXSPJIMRPQ-HXUWFJFHSA-N 0 3 372.509 3.307 40 0 FGABHN COc1ccccc1CN1CCC(O)(Cn2ccc3ncccc32)CC1 ZINC000012222696 494216289 /nfs/dbraw/zinc/21/62/89/494216289.db2.gz FHHGMRCNQUGCFG-UHFFFAOYSA-N 0 3 351.450 3.072 40 0 FGABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293344 494220553 /nfs/dbraw/zinc/22/05/53/494220553.db2.gz RHBAEUWDTMCWSD-PMACEKPBSA-N 0 3 353.462 3.379 40 0 FGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccccc3)CC1)C[C@H]2O ZINC000012293311 494220600 /nfs/dbraw/zinc/22/06/00/494220600.db2.gz NLBZCFOSXWZRHN-UXHICEINSA-N 0 3 369.461 3.079 40 0 FGABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000012362966 494226509 /nfs/dbraw/zinc/22/65/09/494226509.db2.gz MUUZDPSBNIHMTO-OAHLLOKOSA-N 0 3 358.511 3.128 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)Cc1cc(F)ccc1F)[C@@H](CN(C)C)CO2 ZINC000012406627 494229874 /nfs/dbraw/zinc/22/98/74/494229874.db2.gz KQHFHRXYNJTRLL-SFHVURJKSA-N 0 3 374.431 3.167 40 0 FGABHN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCCN1CCCCC1 ZINC000013673789 494292732 /nfs/dbraw/zinc/29/27/32/494292732.db2.gz HRNIUIZMPTWKPA-UHFFFAOYSA-N 0 3 365.326 3.289 40 0 FGABHN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1cccnc1)CCCC3 ZINC000045506745 494435011 /nfs/dbraw/zinc/43/50/11/494435011.db2.gz ONYCNUPACZTCCG-QGZVFWFLSA-N 0 3 364.449 3.332 40 0 FGABHN CC(C)c1cc(C(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C)[nH]n1 ZINC000019451925 494444549 /nfs/dbraw/zinc/44/45/49/494444549.db2.gz ZSJNBUAKUJXMNU-NSISKUIASA-N 0 3 370.472 3.375 40 0 FGABHN COc1ccccc1/C=C/CN1C[C@H]2[C@H](CC[C@]2(O)c2ccccn2)C1 ZINC000019568557 494450655 /nfs/dbraw/zinc/45/06/55/494450655.db2.gz QKMKXHCVEGSGGR-BRWWSGQTSA-N 0 3 350.462 3.333 40 0 FGABHN COc1ccc(-c2n[nH]cc2CN(CCN(C)C)Cc2cccnc2)cc1 ZINC000019582638 494451512 /nfs/dbraw/zinc/45/15/12/494451512.db2.gz QFFFHCMBOOSACB-UHFFFAOYSA-N 0 3 365.481 3.044 40 0 FGABHN Cc1ncsc1CN1CC[C@@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040049 494997324 /nfs/dbraw/zinc/99/73/24/494997324.db2.gz BMHZUFYHTAGWDH-RBUKOAKNSA-N 0 3 359.495 3.297 40 0 FGABHN COc1ccc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049555 494999794 /nfs/dbraw/zinc/99/97/94/494999794.db2.gz TXYDNGRURCAPJA-JOCHJYFZSA-N 0 3 367.493 3.209 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N(C)C)c2ccccc23)o1 ZINC000096187363 495006877 /nfs/dbraw/zinc/00/68/77/495006877.db2.gz HLLRGGNIFQLYJZ-LJQANCHMSA-N 0 3 354.450 3.239 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000096219863 495007489 /nfs/dbraw/zinc/00/74/89/495007489.db2.gz VPRXMYIKZUOSJM-ICSRJNTNSA-N 0 3 357.523 3.317 40 0 FGABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000096215600 495007840 /nfs/dbraw/zinc/00/78/40/495007840.db2.gz YTLMTNRUFFZJRN-OAQYLSRUSA-N 0 3 354.450 3.417 40 0 FGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261640 495008809 /nfs/dbraw/zinc/00/88/09/495008809.db2.gz UUGXGVITOFBPPU-TVTNDZMWSA-N 0 3 369.484 3.467 40 0 FGABHN Cc1ccc(CN2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC000096249680 495008840 /nfs/dbraw/zinc/00/88/40/495008840.db2.gz RQNIPJLBERDSPM-UYAOXDASSA-N 0 3 357.523 3.174 40 0 FGABHN COc1ccccc1C(=O)N1CCC(N2CCc3ccccc3C2)CC1 ZINC000264228857 496845171 /nfs/dbraw/zinc/84/51/71/496845171.db2.gz XICXMQBQMAAGRQ-UHFFFAOYSA-N 0 3 350.462 3.358 40 0 FGABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cc1O ZINC000247871508 496923830 /nfs/dbraw/zinc/92/38/30/496923830.db2.gz DRWDJBPALHWASJ-UQASEVPWSA-N 0 3 357.425 3.270 40 0 FGABHN Cc1ncsc1CN1CC[C@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000248000032 496941540 /nfs/dbraw/zinc/94/15/40/496941540.db2.gz BMHZUFYHTAGWDH-MOPGFXCFSA-N 0 3 359.495 3.297 40 0 FGABHN Cc1ccsc1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1ccco1)CO2 ZINC000248116096 496955387 /nfs/dbraw/zinc/95/53/87/496955387.db2.gz LPQFOEAHEMUHAX-MRXNPFEDSA-N 0 3 374.506 3.403 40 0 FGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223262448 497034436 /nfs/dbraw/zinc/03/44/36/497034436.db2.gz XJTSCTYIYWHIQW-ROUUACIJSA-N 0 3 371.554 3.172 40 0 FGABHN Cc1ccc(CN2CCC(C(=O)NCCOc3ccccc3)CC2)cc1 ZINC000224530229 497049978 /nfs/dbraw/zinc/04/99/78/497049978.db2.gz CYLXWZSQAGARNT-UHFFFAOYSA-N 0 3 352.478 3.402 40 0 FGABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ncccn3)c2c1 ZINC000225216697 497058251 /nfs/dbraw/zinc/05/82/51/497058251.db2.gz SCVSDTSZXKELQP-UHFFFAOYSA-N 0 3 352.467 3.040 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2cncc(-c3cncn3C)n2)C1 ZINC000257248922 497395389 /nfs/dbraw/zinc/39/53/89/497395389.db2.gz JFUXBBRCVVBIKB-AWEZNQCLSA-N 0 3 354.483 3.022 40 0 FGABHN Cc1csc(Nc2cc(C)nc([C@@H]3CCN(C4CCOCC4)C3)n2)n1 ZINC000257290793 497399114 /nfs/dbraw/zinc/39/91/14/497399114.db2.gz QEIWFFDCPSKJND-CQSZACIVSA-N 0 3 359.499 3.262 40 0 FGABHN CNc1ncccc1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257342851 497405583 /nfs/dbraw/zinc/40/55/83/497405583.db2.gz ZQJHRLPOYKRPBK-HNNXBMFYSA-N 0 3 350.470 3.093 40 0 FGABHN Cc1ccsc1CN1CCC2(CC1)c1ccccc1N(C)S2(=O)=O ZINC000306135483 498740106 /nfs/dbraw/zinc/74/01/06/498740106.db2.gz OSGMWEYLJPSLBB-UHFFFAOYSA-N 0 3 362.520 3.327 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100435 507568371 /nfs/dbraw/zinc/56/83/71/507568371.db2.gz KNOSBLGIUSKMKL-TZIWHRDSSA-N 0 3 358.482 3.032 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100435 507568374 /nfs/dbraw/zinc/56/83/74/507568374.db2.gz KNOSBLGIUSKMKL-TZIWHRDSSA-N 0 3 358.482 3.032 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@H]3CCN(Cc4scnc4C)C3)ncn2)n1 ZINC000585178854 507580715 /nfs/dbraw/zinc/58/07/15/507580715.db2.gz QOGOHRLKDHQCPA-CQSZACIVSA-N 0 3 354.483 3.005 40 0 FGABHN C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCCCN1C ZINC000001693014 204017535 /nfs/dbraw/zinc/01/75/35/204017535.db2.gz AYEXHPIWIMINEM-YLJYHZDGSA-N 0 3 353.462 3.339 40 0 FGABHN Cc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964117 205048174 /nfs/dbraw/zinc/04/81/74/205048174.db2.gz ALIDRVQQCNOLPG-SFHVURJKSA-N 0 3 360.417 3.424 40 0 FGABHN CCc1cc(C(=O)N2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)on1 ZINC000012228248 494215628 /nfs/dbraw/zinc/21/56/28/494215628.db2.gz KVFQYUFXSPMMFO-UHFFFAOYSA-N 0 3 369.465 3.045 40 0 FGABHN CN(CCN1CCCCC1)C(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012238128 494216224 /nfs/dbraw/zinc/21/62/24/494216224.db2.gz BVUVFJLJEPRPDX-UHFFFAOYSA-N 0 3 361.486 3.436 40 0 FGABHN CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1 ZINC000013679455 494293577 /nfs/dbraw/zinc/29/35/77/494293577.db2.gz MVKOYEYNUAUXKK-UHFFFAOYSA-N 0 3 358.482 3.088 40 0 FGABHN COc1ccccc1OCCNC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000018075598 494423266 /nfs/dbraw/zinc/42/32/66/494423266.db2.gz MUTRRJRPDWIPIJ-UHFFFAOYSA-N 0 3 368.477 3.490 40 0 FGABHN COc1cccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129302 494435807 /nfs/dbraw/zinc/43/58/07/494435807.db2.gz UGGGVFRPNXKEGM-INIZCTEOSA-N 0 3 351.454 3.008 40 0 FGABHN COc1ccc(CN2CCC[C@@H](c3nn(C)c4ncccc34)C2)cc1OC ZINC000019289488 494440858 /nfs/dbraw/zinc/44/08/58/494440858.db2.gz IMHBPDVEGVKDBL-MRXNPFEDSA-N 0 3 366.465 3.365 40 0 FGABHN C[C@H]1CCCCN1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496338 494446409 /nfs/dbraw/zinc/44/64/09/494446409.db2.gz BBLAZTQPRHNJLW-INIZCTEOSA-N 0 3 366.509 3.397 40 0 FGABHN CCOc1cc(CN2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)ccc1OC ZINC000019531992 494447178 /nfs/dbraw/zinc/44/71/78/494447178.db2.gz UGDLQTLXGZAOKX-KRWDZBQOSA-N 0 3 371.481 3.174 40 0 FGABHN CCN1c2ncccc2C(=O)NC12CCN(Cc1sccc1C)CC2 ZINC000019528314 494447576 /nfs/dbraw/zinc/44/75/76/494447576.db2.gz YMXRXXCTESCQBF-UHFFFAOYSA-N 0 3 356.495 3.014 40 0 FGABHN CCOc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3N2CCOCC2)cc1OC ZINC000019533703 494448827 /nfs/dbraw/zinc/44/88/27/494448827.db2.gz JALYWSCHUIYOPH-QIDMFYOTSA-N 0 3 374.525 3.027 40 0 FGABHN COc1ccccc1C(=O)N1C[C@H]2CC[C@@H](CC1=O)N2Cc1ccccc1 ZINC000019568571 494450171 /nfs/dbraw/zinc/45/01/71/494450171.db2.gz PXURSLVMHIZNTH-ZWKOTPCHSA-N 0 3 364.445 3.101 40 0 FGABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575268 494451571 /nfs/dbraw/zinc/45/15/71/494451571.db2.gz ZIENODVQWPXTOT-BPLDGKMQSA-N 0 3 364.848 3.378 40 0 FGABHN CN1CCC(c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)CC1 ZINC000019588258 494451586 /nfs/dbraw/zinc/45/15/86/494451586.db2.gz SKJVZEAXSAZEGO-UHFFFAOYSA-N 0 3 356.514 3.141 40 0 FGABHN Cc1noc(C)c1C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019579744 494451826 /nfs/dbraw/zinc/45/18/26/494451826.db2.gz AWKLHOOBBIOKTL-UHFFFAOYSA-N 0 3 369.465 3.227 40 0 FGABHN CCOc1ccc(CN2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1OC ZINC000019712313 494456455 /nfs/dbraw/zinc/45/64/55/494456455.db2.gz SHNHPZRFCPVAHL-RBUKOAKNSA-N 0 3 360.498 3.459 40 0 FGABHN CCCc1ncc(CN(Cc2ccccn2)C[C@H]2CCCN2CC)cn1 ZINC000023247790 494558559 /nfs/dbraw/zinc/55/85/59/494558559.db2.gz DJUURZSDQCILRU-HXUWFJFHSA-N 0 3 353.514 3.311 40 0 FGABHN COc1ccc(CN2CCC3(CCN(C(=O)c4cccnc4)C3)CC2)cc1 ZINC000096046569 494998121 /nfs/dbraw/zinc/99/81/21/494998121.db2.gz KDQXDDTXKCBJEJ-UHFFFAOYSA-N 0 3 365.477 3.219 40 0 FGABHN O=C1N(Cc2cccnc2)CC[C@@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048625 495000264 /nfs/dbraw/zinc/00/02/64/495000264.db2.gz UVQJPEYUAQYYPN-OAQYLSRUSA-N 0 3 353.441 3.235 40 0 FGABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096065493 495000913 /nfs/dbraw/zinc/00/09/13/495000913.db2.gz SUCXTXDTVQHTOX-XIRDDKMYSA-N 0 3 357.479 3.070 40 0 FGABHN Cc1noc(C)c1CN1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC000096158109 495005977 /nfs/dbraw/zinc/00/59/77/495005977.db2.gz CBVNYLKGROVINV-IBGZPJMESA-N 0 3 359.495 3.481 40 0 FGABHN O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccc3ccccc32)O1 ZINC000096186966 495006573 /nfs/dbraw/zinc/00/65/73/495006573.db2.gz YEZSOACBVNDTGF-NJYVYQBISA-N 0 3 350.462 3.240 40 0 FGABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096208274 495006711 /nfs/dbraw/zinc/00/67/11/495006711.db2.gz GLSRILFUASFUSD-UYAOXDASSA-N 0 3 356.491 3.302 40 0 FGABHN CCN1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228864 495007698 /nfs/dbraw/zinc/00/76/98/495007698.db2.gz YIPRWLTUCGKHDD-JOCHJYFZSA-N 0 3 367.493 3.052 40 0 FGABHN FC1(F)CCN(Cc2cccnc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC000096239798 495008770 /nfs/dbraw/zinc/00/87/70/495008770.db2.gz IHKOBDGAENJKPJ-IBGZPJMESA-N 0 3 358.436 3.210 40 0 FGABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Cl ZINC000101319336 495068142 /nfs/dbraw/zinc/06/81/42/495068142.db2.gz WDTXDDHQSOQRCW-KRWDZBQOSA-N 0 3 367.836 3.286 40 0 FGABHN CN(Cc1ccco1)C[C@@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110115 496955006 /nfs/dbraw/zinc/95/50/06/496955006.db2.gz KAQUESWBTISWSB-INIZCTEOSA-N 0 3 372.440 3.172 40 0 FGABHN CSc1nnc(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)s1 ZINC000225823400 497076613 /nfs/dbraw/zinc/07/66/13/497076613.db2.gz FVPYUUNUCQWWLH-UHFFFAOYSA-N 0 3 362.524 3.419 40 0 FGABHN CNc1cc(C)nc([C@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1 ZINC000257234597 497392954 /nfs/dbraw/zinc/39/29/54/497392954.db2.gz GUHASZYFARHUKM-LJQANCHMSA-N 0 3 357.429 3.104 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256846 497396838 /nfs/dbraw/zinc/39/68/38/497396838.db2.gz KNCNYDUBUCIKQL-CQSZACIVSA-N 0 3 367.482 3.155 40 0 FGABHN CC(=O)Nc1nc(C)c(-c2cnc([C@H]3CCCN(C(C)C)C3)cn2)s1 ZINC000257320163 497402442 /nfs/dbraw/zinc/40/24/42/497402442.db2.gz VVPJLWOEMAISSZ-AWEZNQCLSA-N 0 3 359.499 3.455 40 0 FGABHN Cc1ncc(CN(C)C)c([C@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000257331961 497403417 /nfs/dbraw/zinc/40/34/17/497403417.db2.gz XVCGATLBJWXVKM-LJQANCHMSA-N 0 3 358.461 3.202 40 0 FGABHN CN1Cc2nnc(-c3ccco3)n2C2(CCN(Cc3cccs3)CC2)C1 ZINC000306133366 498740647 /nfs/dbraw/zinc/74/06/47/498740647.db2.gz MJQNKJAZUAQPRM-UHFFFAOYSA-N 0 3 369.494 3.036 40 0 FGABHN Cc1ccc(CN2CCO[C@@]3(CCCC[C@H]3NCc3cccnc3)C2)o1 ZINC000306140308 498740933 /nfs/dbraw/zinc/74/09/33/498740933.db2.gz UPLGBIPQGMCRFW-RTWAWAEBSA-N 0 3 355.482 3.286 40 0 FGABHN O=S(=O)(NCCCN1CCCC1)c1ccc(Oc2ccccc2)cc1 ZINC000020481065 527215097 /nfs/dbraw/zinc/21/50/97/527215097.db2.gz IUSWLUVOABWTID-UHFFFAOYSA-N 0 3 360.479 3.243 40 0 FGABHN C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCCCN1C ZINC000005065140 204189137 /nfs/dbraw/zinc/18/91/37/204189137.db2.gz AYEXHPIWIMINEM-PXNSSMCTSA-N 0 3 353.462 3.339 40 0 FGABHN Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000105670530 206007778 /nfs/dbraw/zinc/00/77/78/206007778.db2.gz KOCKVBFHDCQBQN-UHFFFAOYSA-N 0 3 362.470 3.208 40 0 FGABHN Fc1ccc(OCc2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 ZINC000049170408 206085824 /nfs/dbraw/zinc/08/58/24/206085824.db2.gz KBZDPZQEZFXWEI-HNNXBMFYSA-N 0 3 354.385 3.172 40 0 biogenic,in-vitro FGABHN NC(=O)c1cccc2[nH]c([C@H]3CCN(Cc4cccc(Cl)c4)C3)nc21 ZINC000049171107 206087068 /nfs/dbraw/zinc/08/70/68/206087068.db2.gz JKJAMZXPTXROAK-ZDUSSCGKSA-N 0 3 354.841 3.305 40 0 biogenic,in-vitro FGABHN CN1CCC(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000113935300 206092313 /nfs/dbraw/zinc/09/23/13/206092313.db2.gz UINFYQNADUTBAB-UHFFFAOYSA-N 0 3 363.505 3.069 40 0 FGABHN COCCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1cccs1 ZINC000008577848 206217615 /nfs/dbraw/zinc/21/76/15/206217615.db2.gz WMNKEZCPEGKKRS-MQVJKMGUSA-N 0 3 367.584 3.134 40 0 FGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000102692716 206229657 /nfs/dbraw/zinc/22/96/57/206229657.db2.gz PJKMBJVXWCXJEX-IPMKNSEASA-N 0 3 366.417 3.174 40 0 FGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000102692716 206229659 /nfs/dbraw/zinc/22/96/59/206229659.db2.gz PJKMBJVXWCXJEX-IPMKNSEASA-N 0 3 366.417 3.174 40 0 FGABHN COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCC3)nc(C)n1)C2 ZINC000329017464 132372460 /nfs/dbraw/zinc/37/24/60/132372460.db2.gz NMNLJRXQLPOHGX-UHFFFAOYSA-N 0 3 366.465 3.489 40 0 FGABHN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358622 494157563 /nfs/dbraw/zinc/15/75/63/494157563.db2.gz IURAIEUDTBBQFQ-GOSISDBHSA-N 0 3 373.460 3.017 40 0 FGABHN C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCCC1 ZINC000012087815 494202942 /nfs/dbraw/zinc/20/29/42/494202942.db2.gz QJUQFUIRMHQWBC-HNNXBMFYSA-N 0 3 352.482 3.007 40 0 FGABHN CC(=O)NC1(c2ccccc2F)CCN(C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188307 494211470 /nfs/dbraw/zinc/21/14/70/494211470.db2.gz YKLUFHYNJYZTED-OAQYLSRUSA-N 0 3 370.468 3.295 40 0 FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000012292441 494219083 /nfs/dbraw/zinc/21/90/83/494219083.db2.gz HKKVYNZWJTVDEZ-QUCCMNQESA-N 0 3 361.869 3.366 40 0 FGABHN O[C@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000012292555 494220580 /nfs/dbraw/zinc/22/05/80/494220580.db2.gz YWELHXQJIYSYMK-OAQYLSRUSA-N 0 3 355.453 3.331 40 0 FGABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2ccccn2)n1 ZINC000012362964 494226918 /nfs/dbraw/zinc/22/69/18/494226918.db2.gz MUUZDPSBNIHMTO-HNNXBMFYSA-N 0 3 358.511 3.128 40 0 FGABHN CC(=O)N1Cc2ccccc2O[C@@H](C2CCN(Cc3ccncc3)CC2)C1 ZINC000019019689 494434523 /nfs/dbraw/zinc/43/45/23/494434523.db2.gz DTHJYXHJNJTSNB-JOCHJYFZSA-N 0 3 365.477 3.103 40 0 FGABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c(OC)c1 ZINC000019237724 494439392 /nfs/dbraw/zinc/43/93/92/494439392.db2.gz QAHDBQRINJZTIA-NBCNXNJRSA-N 0 3 368.477 3.137 40 0 FGABHN CCOc1cc(CN2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522505 494447233 /nfs/dbraw/zinc/44/72/33/494447233.db2.gz DAPXGPFIEBHXTK-INIZCTEOSA-N 0 3 371.481 3.119 40 0 FGABHN Cc1nccn1C[C@@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656788 494453951 /nfs/dbraw/zinc/45/39/51/494453951.db2.gz ZIPFSOSEGZLZHA-QGZVFWFLSA-N 0 3 353.445 3.429 40 0 FGABHN CC(C)CN1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703963 494454667 /nfs/dbraw/zinc/45/46/67/494454667.db2.gz LHPOLEOTKIGBMU-HNNXBMFYSA-N 0 3 373.522 3.214 40 0 FGABHN CN1C(=O)NC2(CCN(Cc3cccc(-c4cccc(F)c4)c3)CC2)C1=O ZINC000019715700 494457104 /nfs/dbraw/zinc/45/71/04/494457104.db2.gz ZMSCEFGTYIGZNH-UHFFFAOYSA-N 0 3 367.424 3.009 40 0 FGABHN Cc1ccc(CN2CCC[C@]3(C[C@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000096048506 494999404 /nfs/dbraw/zinc/99/94/04/494999404.db2.gz JLEQOBORKYDHJM-YJBOKZPZSA-N 0 3 362.474 3.221 40 0 FGABHN c1cc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)ccn1 ZINC000096062766 495000934 /nfs/dbraw/zinc/00/09/34/495000934.db2.gz NPZIOQGUAYZBRJ-UHFFFAOYSA-N 0 3 362.481 3.104 40 0 FGABHN Cc1ccc(CN2CC[C@@]3(C[C@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000096219865 495007907 /nfs/dbraw/zinc/00/79/07/495007907.db2.gz VPRXMYIKZUOSJM-AZUAARDMSA-N 0 3 357.523 3.317 40 0 FGABHN Cn1cccc1C(=O)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216323 495008078 /nfs/dbraw/zinc/00/80/78/495008078.db2.gz XBDMPGJSMXGGBP-QFIPXVFZSA-N 0 3 367.493 3.032 40 0 FGABHN Cc1csc(Nc2cc([C@@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257215227 497392555 /nfs/dbraw/zinc/39/25/55/497392555.db2.gz CPFAMRJSMYXFPJ-CQSZACIVSA-N 0 3 369.498 3.396 40 0 FGABHN Cc1cc(N(C)C)cc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257261490 497396205 /nfs/dbraw/zinc/39/62/05/497396205.db2.gz LHNSBOJIDMGAFT-SFHVURJKSA-N 0 3 359.495 3.050 40 0 FGABHN Cc1n[nH]cc1CN1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 ZINC000257267848 497397890 /nfs/dbraw/zinc/39/78/90/497397890.db2.gz MIZYZDLBHKUSCW-CQSZACIVSA-N 0 3 369.498 3.163 40 0 FGABHN Cc1noc(C)c1-c1cc(C[C@@H]2CCCN(Cc3cnc[nH]3)CC2)ncn1 ZINC000257277675 497397946 /nfs/dbraw/zinc/39/79/46/497397946.db2.gz NYYBKTCPRBJZCA-MRXNPFEDSA-N 0 3 366.469 3.316 40 0 FGABHN Cc1nc2c(n1C(C)C)CN(Cc1cccc(C)n1)CC21CCN(C)CC1 ZINC000306137556 498740266 /nfs/dbraw/zinc/74/02/66/498740266.db2.gz QZUAJWJQLGZLJP-UHFFFAOYSA-N 0 3 367.541 3.455 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2cccnc2)nc1 ZINC000585105086 507570908 /nfs/dbraw/zinc/57/09/08/507570908.db2.gz PEVRZVXOTGZHNQ-FQEVSTJZSA-N 0 3 367.493 3.455 40 0 FGABHN C[C@H](c1ccccc1F)n1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)nn1 ZINC000227139406 526118895 /nfs/dbraw/zinc/11/88/95/526118895.db2.gz WVUUNZKCQDVQMJ-OWCLPIDISA-N 0 3 373.476 3.019 40 0 FGABHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000685938950 568434592 /nfs/dbraw/zinc/43/45/92/568434592.db2.gz HQMWMOHLMWYEOC-MISYRCLQSA-N 0 3 359.514 3.240 40 0 FGABHN CC[C@H]1C[C@H]2CN3CCc4c5cc(OC)ccc5[nH]c4[C@](C(=O)OC)(C2)[C@H]13 ZINC000002555121 204043861 /nfs/dbraw/zinc/04/38/61/204043861.db2.gz MMAYTCMMKJYIAM-PHKAQXKASA-N 0 3 368.477 3.264 40 0 biogenic,in-vitro FGABHN C[C@@H]1CC(C)(C)N2CC[C@H](C(=O)N3Cc4cc5ccccc5nc4C3)[C@@H]2O1 ZINC000005160916 204195947 /nfs/dbraw/zinc/19/59/47/204195947.db2.gz NPMYSDYHYASACI-ZVGUJKQYSA-N 0 3 365.477 3.312 40 0 FGABHN COc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1OC ZINC000019219368 204670661 /nfs/dbraw/zinc/67/06/61/204670661.db2.gz NWJVWYQYNGWAJP-IBGZPJMESA-N 0 3 370.493 3.337 40 0 FGABHN c1cncc(COC[C@@]23CCCO[C@H]2CCN(Cc2cccnc2)C3)c1 ZINC000107712292 206020676 /nfs/dbraw/zinc/02/06/76/206020676.db2.gz OXJBSEONSREVAP-SFTDATJTSA-N 0 3 353.466 3.065 40 0 FGABHN Cc1cccnc1CN1CCC[C@@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108532465 206034291 /nfs/dbraw/zinc/03/42/91/206034291.db2.gz IBGXLTRSYHPCSZ-QFIPXVFZSA-N 0 3 371.525 3.021 40 0 FGABHN Cc1c(C(=O)N2CCCC[C@H]2C)c(C(F)(F)F)nn1C1CCN(C)CC1 ZINC000049362636 206086928 /nfs/dbraw/zinc/08/69/28/206086928.db2.gz ZNGJKMYQLJPENF-GFCCVEGCSA-N 0 3 372.435 3.492 40 0 FGABHN CC(C)c1cc(N2Cc3ccccc3C(C)(C)C2)nc(NCCN(C)C)n1 ZINC000329038632 132372847 /nfs/dbraw/zinc/37/28/47/132372847.db2.gz RTNUJMFHOORIKE-UHFFFAOYSA-N 0 3 367.541 3.293 40 0 FGABHN COC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c1 ZINC000039762970 494123843 /nfs/dbraw/zinc/12/38/43/494123843.db2.gz LVGPFTOZERYLNB-UHFFFAOYSA-N 0 3 370.424 3.463 40 0 FGABHN CN1CCCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216477 494145200 /nfs/dbraw/zinc/14/52/00/494145200.db2.gz AZBZSPBQTQNUMC-QGZVFWFLSA-N 0 3 360.502 3.296 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392891 494162229 /nfs/dbraw/zinc/16/22/29/494162229.db2.gz OQQPEFKGQDFBAZ-OAHLLOKOSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392891 494162233 /nfs/dbraw/zinc/16/22/33/494162233.db2.gz OQQPEFKGQDFBAZ-OAHLLOKOSA-N 0 3 352.463 3.273 40 0 FGABHN OC1(c2ccccc2F)CCN(Cc2ccccc2-n2cccn2)CC1 ZINC000012363545 494226460 /nfs/dbraw/zinc/22/64/60/494226460.db2.gz VERKUGDXGGZCEL-UHFFFAOYSA-N 0 3 351.425 3.495 40 0 FGABHN COc1ccc(CN2CCC(c3nn(C)c4ncccc34)CC2)cc1OC ZINC000012670246 494249254 /nfs/dbraw/zinc/24/92/54/494249254.db2.gz MBXOEULFABBARR-UHFFFAOYSA-N 0 3 366.465 3.365 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286352 494439184 /nfs/dbraw/zinc/43/91/84/494439184.db2.gz SHKSJFUSVLTJGE-LSDHHAIUSA-N 0 3 363.383 3.229 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@@H]1CC[C@H](C2)[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286352 494439189 /nfs/dbraw/zinc/43/91/89/494439189.db2.gz SHKSJFUSVLTJGE-LSDHHAIUSA-N 0 3 363.383 3.229 40 0 FGABHN O=c1cc(-c2nccs2)nc(C2CC[NH+](Cc3cccs3)CC2)[n-]1 ZINC000019343416 494442000 /nfs/dbraw/zinc/44/20/00/494442000.db2.gz PBLIQSGJMHGEKM-UHFFFAOYSA-N 0 3 358.492 3.335 40 0 FGABHN O=c1cc(-c2ccccn2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]1 ZINC000019402436 494445475 /nfs/dbraw/zinc/44/54/75/494445475.db2.gz RILXQDZZXMMNKM-INIZCTEOSA-N 0 3 364.424 3.351 40 0 FGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019500945 494446525 /nfs/dbraw/zinc/44/65/25/494446525.db2.gz ZLPHSYRSKUEUAT-CTNGQTDRSA-N 0 3 362.489 3.290 40 0 FGABHN CC(C)CN1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019703962 494455507 /nfs/dbraw/zinc/45/55/07/494455507.db2.gz LHPOLEOTKIGBMU-OAHLLOKOSA-N 0 3 373.522 3.214 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)NC(C)C)CO3)CC2)s1 ZINC000096048164 494998219 /nfs/dbraw/zinc/99/82/19/494998219.db2.gz KKOYQXPZGHKOGG-INIZCTEOSA-N 0 3 350.528 3.342 40 0 FGABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048071 494998436 /nfs/dbraw/zinc/99/84/36/494998436.db2.gz FLDVUBKCBKMQGF-SFHVURJKSA-N 0 3 357.523 3.399 40 0 FGABHN Cc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)o1 ZINC000096047117 494998857 /nfs/dbraw/zinc/99/88/57/494998857.db2.gz JEWWMYVEJSAHGX-OAQYLSRUSA-N 0 3 353.466 3.040 40 0 FGABHN COCCN1c2ccccc2C2(CCN(Cc3ccc(F)cc3)CC2)C1=O ZINC000096052512 494999516 /nfs/dbraw/zinc/99/95/16/494999516.db2.gz DQPXZHPIEWQFEN-UHFFFAOYSA-N 0 3 368.452 3.353 40 0 FGABHN Cc1ccc(CNC[C@@H]2OCCc3cn(Cc4ccccn4)nc32)s1 ZINC000096059787 494999630 /nfs/dbraw/zinc/99/96/30/494999630.db2.gz RBFQYEBXTDJXBY-SFHVURJKSA-N 0 3 354.479 3.100 40 0 FGABHN C[C@H]1CN(Cc2ccc(F)cc2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 ZINC000096061291 494999681 /nfs/dbraw/zinc/99/96/81/494999681.db2.gz ASWYRJQGYYSZCZ-PAXLWEDBSA-N 0 3 360.473 3.112 40 0 FGABHN Fc1cccc(CN2CCC[C@@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 ZINC000096075792 495001183 /nfs/dbraw/zinc/00/11/83/495001183.db2.gz GTDIKBTVPGVICA-YLJYHZDGSA-N 0 3 356.445 3.099 40 0 FGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC000096076226 495001205 /nfs/dbraw/zinc/00/12/05/495001205.db2.gz HZQCTQPVIPUIEW-QFIPXVFZSA-N 0 3 367.493 3.198 40 0 FGABHN CC(=O)Nc1ccc(CNC[C@H]2COCc3nc4c(cccc4C)n32)cc1 ZINC000096112649 495001766 /nfs/dbraw/zinc/00/17/66/495001766.db2.gz GDMAXTHQPVPHML-SFHVURJKSA-N 0 3 364.449 3.164 40 0 biogenic,in-vitro FGABHN Cc1ccsc1CN1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1 ZINC000096107741 495002254 /nfs/dbraw/zinc/00/22/54/495002254.db2.gz LCGCHFZWZDFMFU-MJGOQNOKSA-N 0 3 351.512 3.233 40 0 FGABHN Cc1cccc(CN2CCC3(CO[C@H](COc4cccnc4)C3)CC2)n1 ZINC000096106091 495002348 /nfs/dbraw/zinc/00/23/48/495002348.db2.gz LUJMZLLGKJFYSP-FQEVSTJZSA-N 0 3 353.466 3.235 40 0 FGABHN c1cc(CN2CCC3(CCOC[C@H]3COc3cnccn3)CC2)cs1 ZINC000096209747 495006536 /nfs/dbraw/zinc/00/65/36/495006536.db2.gz HTBAKOCAHLFWOK-KRWDZBQOSA-N 0 3 359.495 3.236 40 0 FGABHN COc1ccc(CN2CCC3(C[C@@H](Nc4ccccn4)CO3)CC2)cc1 ZINC000096221289 495008001 /nfs/dbraw/zinc/00/80/01/495008001.db2.gz IDSZQQDTGVSHHW-GOSISDBHSA-N 0 3 353.466 3.326 40 0 FGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261634 495009005 /nfs/dbraw/zinc/00/90/05/495009005.db2.gz KZRAWITWRZXJRY-ZWCUEREDSA-N 0 3 369.484 3.467 40 0 FGABHN COc1ccc2cc(S(=O)(=O)NCCCN3CCCCC3)ccc2c1 ZINC000225115358 497057149 /nfs/dbraw/zinc/05/71/49/497057149.db2.gz ZYFJOGNXHOZXGB-UHFFFAOYSA-N 0 3 362.495 3.003 40 0 FGABHN Cc1cncc(CN2CC[C@@H]3O[C@@](C)(COc4cccnc4)C[C@@H]3C2)c1 ZINC000257239399 497393240 /nfs/dbraw/zinc/39/32/40/497393240.db2.gz HPCOVIOLFXOUTF-HLAWJBBLSA-N 0 3 353.466 3.234 40 0 FGABHN Cc1cnc(C(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCCN3C)cn1 ZINC000257298676 497400702 /nfs/dbraw/zinc/40/07/02/497400702.db2.gz RMVNQWUXWQOOEB-AQNXPRMDSA-N 0 3 350.466 3.225 40 0 FGABHN O=C(NCc1ccccc1)N1CC[C@@H]2CCN(Cc3ccccn3)CC[C@@H]21 ZINC000306138903 498741519 /nfs/dbraw/zinc/74/15/19/498741519.db2.gz SKLJXMCNLZCWGI-FPOVZHCZSA-N 0 3 364.493 3.278 40 0 FGABHN O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1Cc1ccc(OC(F)F)cc1 ZINC000585108951 507574340 /nfs/dbraw/zinc/57/43/40/507574340.db2.gz HMLRLBVVHNFOEV-ROUUACIJSA-N 0 3 373.403 3.058 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000585283679 507584754 /nfs/dbraw/zinc/58/47/54/507584754.db2.gz GPVRTTAJIXEFNM-SFHVURJKSA-N 0 3 352.434 3.087 40 0 FGABHN CC1(C)CCC(N2CCOC[C@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282008 507584813 /nfs/dbraw/zinc/58/48/13/507584813.db2.gz FLTUQLAQFWJRNJ-FQEVSTJZSA-N 0 3 351.462 3.237 40 0 FGABHN COc1cc(OC)c(OC)cc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019789270 522820451 /nfs/dbraw/zinc/82/04/51/522820451.db2.gz LGLXDKDKXSRHFV-FGTMMUONSA-N 0 3 372.509 3.042 40 0 FGABHN CO[C@@H]1CCN([C@@H]2CCC[C@@H]2N(C)C(=O)Nc2cc(F)cc(F)c2F)C1 ZINC000626571952 571145711 /nfs/dbraw/zinc/14/57/11/571145711.db2.gz NJEXXPRVVCUGCU-UHOFOFEASA-N 0 3 371.403 3.209 40 0 FGABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1cccnc1N ZINC000257341255 210005303 /nfs/dbraw/zinc/00/53/03/210005303.db2.gz ZJNYBZBVHWUTMW-GBESFXJTSA-N 0 3 350.466 3.104 40 0 FGABHN Cc1cc(C)nc(Nc2cc(C3CCN([C@@H]4CCOC4)CC3)ccn2)n1 ZINC000257311397 209996291 /nfs/dbraw/zinc/99/62/91/209996291.db2.gz UJGPNXVTOJGPSJ-GOSISDBHSA-N 0 3 353.470 3.200 40 0 FGABHN CC(C)C[C@@H]1N[C@H](C(=O)NC2CCOCC2)Cc2c[nH]c3cccc1c23 ZINC000049172029 209333669 /nfs/dbraw/zinc/33/36/69/209333669.db2.gz YVXJCCPCBWGVDU-OALUTQOASA-N 0 3 355.482 3.065 40 0 biogenic,in-vitro FGABHN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@H]3C2)n1 ZINC000107746104 209279518 /nfs/dbraw/zinc/27/95/18/209279518.db2.gz WNSPPFIOWBRUPQ-XKGZKEIXSA-N 0 3 353.466 3.356 40 0 FGABHN COCCN1CCC2(CC1)C[C@@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242766 209143138 /nfs/dbraw/zinc/14/31/38/209143138.db2.gz FJYGYQAFPVQETL-QGZVFWFLSA-N 0 3 370.449 3.014 40 0 FGABHN O=C(c1nc2c(s1)CCN(Cc1ccccc1)CC2)N1CCCCC1 ZINC000096147007 209121965 /nfs/dbraw/zinc/12/19/65/209121965.db2.gz ACGUABWIUNCQQR-UHFFFAOYSA-N 0 3 355.507 3.370 40 0 FGABHN COc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCCN(C)C)n3n2)c1 ZINC000004980221 207068135 /nfs/dbraw/zinc/06/81/35/207068135.db2.gz NYOUXGBZLVBIFX-UHFFFAOYSA-N 0 3 369.469 3.004 40 0 FGABHN Cc1ncsc1C(=O)NC1CCN(CC2(c3ccccc3)CC2)CC1 ZINC000012187133 207346585 /nfs/dbraw/zinc/34/65/85/207346585.db2.gz VJYGYZUTXFWBTQ-UHFFFAOYSA-N 0 3 355.507 3.378 40 0 FGABHN COc1ccc(OC)c(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1 ZINC000012089067 207337424 /nfs/dbraw/zinc/33/74/24/207337424.db2.gz KRSZOTHNJFQWDX-VSOVRNOCSA-N 0 3 368.477 3.219 40 0 FGABHN COc1cccc(-c2nccc3ccn(CC(=O)Nc4cnccc4N)c32)c1 ZINC000012134771 207341159 /nfs/dbraw/zinc/34/11/59/207341159.db2.gz DYNQZCBROHRHIC-UHFFFAOYSA-N 0 3 373.416 3.328 40 0 FGABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055087 209102614 /nfs/dbraw/zinc/10/26/14/209102614.db2.gz URJOYYSFRMYGFF-MOPGFXCFSA-N 0 3 357.523 3.235 40 0 FGABHN COc1cc(N2CCC[C@]3(CCN(Cc4ccc(C)s4)C3)C2)ncn1 ZINC000096216513 132222647 /nfs/dbraw/zinc/22/26/47/132222647.db2.gz UVQGWLMQEPYWAG-LJQANCHMSA-N 0 3 358.511 3.348 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cccc(C)c1C ZINC000001710828 493797726 /nfs/dbraw/zinc/79/77/26/493797726.db2.gz DFPMATMGEZMBLB-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000002763661 493818544 /nfs/dbraw/zinc/81/85/44/493818544.db2.gz JEXTZQCTSOIZIM-IBGZPJMESA-N 0 3 366.461 3.194 40 0 FGABHN Cc1ccccc1CS(=O)(=O)NCc1ccccc1CN1CCCC1 ZINC000076671394 493948681 /nfs/dbraw/zinc/94/86/81/493948681.db2.gz NXANHJSQOOVJFM-UHFFFAOYSA-N 0 3 358.507 3.210 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)c(C)c1 ZINC000006382282 493961263 /nfs/dbraw/zinc/96/12/63/493961263.db2.gz RCPDVOGPLYLOSK-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN CC(=O)Nc1cccc(NC(=O)C2CCN(Cc3ccccc3)CC2)c1 ZINC000009062853 494112819 /nfs/dbraw/zinc/11/28/19/494112819.db2.gz SMXQCJWLIAZORE-UHFFFAOYSA-N 0 3 351.450 3.496 40 0 FGABHN CCOc1ncccc1C(=O)N1CCC(c2cc(N(C)C)cc(C)n2)CC1 ZINC000072391704 494161792 /nfs/dbraw/zinc/16/17/92/494161792.db2.gz QGFQJEGVMCYIBL-UHFFFAOYSA-N 0 3 368.481 3.270 40 0 FGABHN c1ccc(-c2cnc(-c3ccncc3)c(CNC[C@@H]3COCCO3)c2)cc1 ZINC000012233856 494215887 /nfs/dbraw/zinc/21/58/87/494215887.db2.gz WTHKDJODOAJFIY-OAQYLSRUSA-N 0 3 361.445 3.316 40 0 FGABHN O=C(CNCCc1ccccc1)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000015935927 494372901 /nfs/dbraw/zinc/37/29/01/494372901.db2.gz HIBNFBRLZWHUIE-UHFFFAOYSA-N 0 3 365.477 3.084 40 0 FGABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cc5c(cc4C)OCO5)C[C@H]32)nc1 ZINC000019215980 494438139 /nfs/dbraw/zinc/43/81/39/494438139.db2.gz TYIXZIXPRGBRBS-CECAUBDESA-N 0 3 366.461 3.157 40 0 FGABHN CCOc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)ccc1OC ZINC000019532119 494447825 /nfs/dbraw/zinc/44/78/25/494447825.db2.gz YXYZEJUKVXBLLD-SVMVAKDDSA-N 0 3 368.477 3.219 40 0 FGABHN CCOc1ccc(CN2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533814 494448960 /nfs/dbraw/zinc/44/89/60/494448960.db2.gz QBDMHTTZECGOOW-QGZVFWFLSA-N 0 3 371.481 3.174 40 0 FGABHN COc1ccc(CN2CCC([C@@H]3CNC(=O)c4ccccc43)CC2)cc1 ZINC000019554982 494449069 /nfs/dbraw/zinc/44/90/69/494449069.db2.gz KPBHVNDGCVJNLF-NRFANRHFSA-N 0 3 350.462 3.434 40 0 FGABHN Cc1cc2nc([C@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569999 494450649 /nfs/dbraw/zinc/45/06/49/494450649.db2.gz YHEBFVWHMBAVIJ-KRWDZBQOSA-N 0 3 365.481 3.322 40 0 FGABHN Cc1ccc(C2(C(=O)NCC(C)(C)N3CCCCC3)CCOCC2)cc1 ZINC000019657445 494454113 /nfs/dbraw/zinc/45/41/13/494454113.db2.gz CQEAJKUETXUYHK-UHFFFAOYSA-N 0 3 358.526 3.424 40 0 FGABHN CNc1cc(CN(C)Cc2cccc3cccnc32)nc([C@H]2CCCN2)n1 ZINC000019759851 494460352 /nfs/dbraw/zinc/46/03/52/494460352.db2.gz ROEXSMXWLRIDLC-GOSISDBHSA-N 0 3 362.481 3.123 40 0 FGABHN CCOc1ccc([C@@H](N)c2nc(CNc3ccccc3)n[nH]2)cc1OCC ZINC000095534541 494989397 /nfs/dbraw/zinc/98/93/97/494989397.db2.gz NDTRTZYOFYJOOQ-LJQANCHMSA-N 0 3 367.453 3.262 40 0 FGABHN c1cncc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)c1 ZINC000247819484 496919134 /nfs/dbraw/zinc/91/91/34/496919134.db2.gz CMRARAQNICGHJQ-NRFANRHFSA-N 0 3 367.493 3.455 40 0 FGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 ZINC000223253454 497034109 /nfs/dbraw/zinc/03/41/09/497034109.db2.gz UZBMNNJJKJTRCZ-CABCVRRESA-N 0 3 366.943 3.331 40 0 FGABHN Cn1c2ccc(NC(=O)c3ccc(CN4CCCC4)cc3)cc2sc1=O ZINC000225041220 497055587 /nfs/dbraw/zinc/05/55/87/497055587.db2.gz GWLZVDFJVVIWCO-UHFFFAOYSA-N 0 3 367.474 3.448 40 0 FGABHN Cc1ncccc1C(=O)N1CCN(C)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257262610 497396626 /nfs/dbraw/zinc/39/66/26/497396626.db2.gz LMCKCMTZCBBUIU-GOSISDBHSA-N 0 3 374.488 3.185 40 0 FGABHN Cc1cc(C)nc(Nc2cc(C3CCN(Cc4cnc[nH]4)CC3)ccn2)n1 ZINC000257291150 497399978 /nfs/dbraw/zinc/39/99/78/497399978.db2.gz QFWPKHBTGCRBOB-UHFFFAOYSA-N 0 3 363.469 3.335 40 0 FGABHN Cc1cc(F)ccc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329065949 499030815 /nfs/dbraw/zinc/03/08/15/499030815.db2.gz XVSODELFEVPJAY-UHFFFAOYSA-N 0 3 357.355 3.082 40 0 FGABHN Cn1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CCCC2)cn1 ZINC000585103214 507567753 /nfs/dbraw/zinc/56/77/53/507567753.db2.gz ADZGCWXYHNSAFL-FQEVSTJZSA-N 0 3 361.530 3.388 40 0 FGABHN Cc1ccc(CN2CC3(C2)CC[C@@H](CN(C)Cc2cccnc2)CO3)o1 ZINC000585104152 507570752 /nfs/dbraw/zinc/57/07/52/507570752.db2.gz GIXLPTZTDHERHG-IBGZPJMESA-N 0 3 355.482 3.096 40 0 FGABHN CC1(C)CCC(N2CCOC[C@@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585281742 507585102 /nfs/dbraw/zinc/58/51/02/507585102.db2.gz ADTLOCAAPPZAON-HXUWFJFHSA-N 0 3 369.452 3.376 40 0 FGABHN COCC(=O)N1CC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257332609 210000631 /nfs/dbraw/zinc/00/06/31/210000631.db2.gz XYADWNVLOJFDLF-HNNXBMFYSA-N 0 3 355.438 3.105 40 0 FGABHN Cc1ccccc1CN1CC[C@@H]2OCCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000108531351 209289313 /nfs/dbraw/zinc/28/93/13/209289313.db2.gz VGPFEHGGPZVRDW-OALUTQOASA-N 0 3 356.491 3.172 40 0 FGABHN O=C1CC2(CN1Cc1ccncc1)CCN(Cc1ccc(F)cc1)CC2 ZINC000108525221 209288482 /nfs/dbraw/zinc/28/84/82/209288482.db2.gz KAJQZOBIPWCYKF-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN Cc1ccc(CN2CCC[C@@]3(C[C@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000096223433 209139832 /nfs/dbraw/zinc/13/98/32/209139832.db2.gz USTHHVVYJDPNIW-QFBILLFUSA-N 0 3 358.511 3.106 40 0 FGABHN FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1cnccn1)C2 ZINC000096239717 209142297 /nfs/dbraw/zinc/14/22/97/209142297.db2.gz YZVHGELZTMMANG-INIZCTEOSA-N 0 3 350.438 3.276 40 0 FGABHN COc1ccc(CN2CCC3(C[C@H](Oc4ccccn4)CO3)CC2)cc1 ZINC000096106958 209112573 /nfs/dbraw/zinc/11/25/73/209112573.db2.gz JELODSFHVMAUNJ-IBGZPJMESA-N 0 3 354.450 3.293 40 0 FGABHN CCN1CCC2(CC1)C[C@@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096079765 209109911 /nfs/dbraw/zinc/10/99/11/209109911.db2.gz WAGDVOXCUIXSSQ-GOSISDBHSA-N 0 3 351.450 3.190 40 0 FGABHN Cc1noc(C)c1CN1CCOC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096062398 209106618 /nfs/dbraw/zinc/10/66/18/209106618.db2.gz OKXHOKGTJVQQHC-IBGZPJMESA-N 0 3 361.511 3.077 40 0 FGABHN Cc1ccc(C(=O)N2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)o1 ZINC000096062410 209105958 /nfs/dbraw/zinc/10/59/58/209105958.db2.gz WBXDWWYOPBSOCQ-IBGZPJMESA-N 0 3 360.479 3.014 40 0 FGABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293335 207353252 /nfs/dbraw/zinc/35/32/52/207353252.db2.gz RHBAEUWDTMCWSD-UXHICEINSA-N 0 3 353.462 3.379 40 0 FGABHN O[C@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000012292562 207353635 /nfs/dbraw/zinc/35/36/35/207353635.db2.gz MKEUSTPRGRMTEO-OAQYLSRUSA-N 0 3 355.453 3.331 40 0 FGABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@@H]21 ZINC000096043508 209101001 /nfs/dbraw/zinc/10/10/01/209101001.db2.gz ATRSGOKMHKMUJF-KZNAEPCWSA-N 0 3 357.479 3.009 40 0 FGABHN CN(Cc1cccnc1)[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096047978 209100442 /nfs/dbraw/zinc/10/04/42/209100442.db2.gz DMWHUJZRQITVLD-LJQANCHMSA-N 0 3 357.523 3.399 40 0 FGABHN Cc1ccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c2c1 ZINC000072396112 136144789 /nfs/dbraw/zinc/14/47/89/136144789.db2.gz MQGCXCKEEXSIAO-UHFFFAOYSA-N 0 3 362.477 3.200 40 0 FGABHN C[C@H]1CCCCN1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000003893515 493859218 /nfs/dbraw/zinc/85/92/18/493859218.db2.gz JUCCUWNVDDWOLY-JQWIXIFHSA-N 0 3 364.230 3.341 40 0 FGABHN CCN1CCC[C@@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216453 494144474 /nfs/dbraw/zinc/14/44/74/494144474.db2.gz CDYDZDWAKPFBSN-QGZVFWFLSA-N 0 3 360.502 3.296 40 0 FGABHN Cc1ccc(C(=O)N2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)o1 ZINC000072393751 494163329 /nfs/dbraw/zinc/16/33/29/494163329.db2.gz ICNBHJQWEBGJRC-UHFFFAOYSA-N 0 3 354.450 3.396 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc(C)c(C)c2)C1 ZINC000012292216 494218747 /nfs/dbraw/zinc/21/87/47/494218747.db2.gz JTCGSYDFKVFFNL-IFMALSPDSA-N 0 3 355.478 3.329 40 0 FGABHN CC(=O)N1CCc2nc([C@@H]3CCCCN3CC3CCCCC3)ncc2C1 ZINC000019018260 494434405 /nfs/dbraw/zinc/43/44/05/494434405.db2.gz MWRHSBIGSZQLDC-FQEVSTJZSA-N 0 3 356.514 3.489 40 0 FGABHN Cc1ccc(C2(CN3CCC(NC(=O)C4CCOCC4)CC3)CC2)cc1 ZINC000019208338 494438602 /nfs/dbraw/zinc/43/86/02/494438602.db2.gz HNMDSVARIWXNSE-UHFFFAOYSA-N 0 3 356.510 3.034 40 0 FGABHN COc1ccc(CN2CCC[C@H](c3nn(C)c4ncccc34)C2)cc1OC ZINC000019289489 494440891 /nfs/dbraw/zinc/44/08/91/494440891.db2.gz IMHBPDVEGVKDBL-INIZCTEOSA-N 0 3 366.465 3.365 40 0 FGABHN COc1ccc2nc(Cl)c(CNCC(C)C)c(N3CCOCC3)c2c1 ZINC000019447372 494444653 /nfs/dbraw/zinc/44/46/53/494444653.db2.gz HVTXMYLRORAIBR-UHFFFAOYSA-N 0 3 363.889 3.479 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000019523307 494447976 /nfs/dbraw/zinc/44/79/76/494447976.db2.gz VKTJQXSXGKQACM-LDQXTDLNSA-N 0 3 355.457 3.298 40 0 FGABHN Cc1cccnc1CNC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 ZINC000096296385 495009868 /nfs/dbraw/zinc/00/98/68/495009868.db2.gz FOBXGJQAGPBWMB-KRWDZBQOSA-N 0 3 352.413 3.081 40 0 biogenic,in-vitro FGABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247915212 496926852 /nfs/dbraw/zinc/92/68/52/496926852.db2.gz FSMDWPYUEPHJNZ-FQEVSTJZSA-N 0 3 374.500 3.313 40 0 FGABHN CSc1nnc(NC(=O)C2CCN(Cc3ccccc3C)CC2)s1 ZINC000223300895 497035816 /nfs/dbraw/zinc/03/58/16/497035816.db2.gz DXBYVAKCCRKMAY-UHFFFAOYSA-N 0 3 362.524 3.419 40 0 FGABHN CCn1cc(CN2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)cn1 ZINC000249681487 497230808 /nfs/dbraw/zinc/23/08/08/497230808.db2.gz BIMHTULBYRSACT-LJQANCHMSA-N 0 3 370.497 3.138 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000253606534 497345685 /nfs/dbraw/zinc/34/56/85/497345685.db2.gz RAEYJWJNGGKLRB-JLMWRMLUSA-N 0 3 367.493 3.167 40 0 FGABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC000257199965 497389016 /nfs/dbraw/zinc/38/90/16/497389016.db2.gz ABMDHBOVHIYEHX-CQSZACIVSA-N 0 3 368.506 3.292 40 0 FGABHN CN1CCN(Cc2ncccc2F)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257207379 497390191 /nfs/dbraw/zinc/39/01/91/497390191.db2.gz BHMMEENFROWJTH-QGZVFWFLSA-N 0 3 364.468 3.375 40 0 FGABHN CC(=O)N[C@@H]1C[C@H](c2ccccc2OCCN(C)C)O[C@@H]2CCCC[C@@H]12 ZINC000257284026 497399278 /nfs/dbraw/zinc/39/92/78/497399278.db2.gz PAYGUWJSQGDTQA-RCVZYCBYSA-N 0 3 360.498 3.152 40 0 FGABHN Cc1cc(N)cc([C@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 ZINC000257301589 497400439 /nfs/dbraw/zinc/40/04/39/497400439.db2.gz RZBJNBUUZOANEI-MRXNPFEDSA-N 0 3 353.447 3.401 40 0 FGABHN COc1ncccc1CN1C[C@@H]2Cc3ncc(-c4ccccc4)n3C[C@H]2C1 ZINC000306129166 498739199 /nfs/dbraw/zinc/73/91/99/498739199.db2.gz HWGOUQUQAYZHKI-RBUKOAKNSA-N 0 3 360.461 3.258 40 0 FGABHN Cc1c(F)cccc1Nc1cc(-c2ccccc2)nc(NCCN(C)C)n1 ZINC000328964918 499000285 /nfs/dbraw/zinc/00/02/85/499000285.db2.gz BYEWMVCXXYMZCC-UHFFFAOYSA-N 0 3 365.456 3.152 40 0 FGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 ZINC000585105183 507572710 /nfs/dbraw/zinc/57/27/10/507572710.db2.gz PSKQGAPDTNMETN-HXUWFJFHSA-N 0 3 369.484 3.334 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@@H]3CCN(Cc4scnc4C)C3)ncn2)n1 ZINC000585178853 507579716 /nfs/dbraw/zinc/57/97/16/507579716.db2.gz QOGOHRLKDHQCPA-AWEZNQCLSA-N 0 3 354.483 3.005 40 0 FGABHN Cc1ccc2cc(CNC[C@H](O)COc3c(C)cccc3C)c(=O)[nH]c2c1 ZINC000585284515 507584055 /nfs/dbraw/zinc/58/40/55/507584055.db2.gz LQEJMDGTPGEBLD-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN Cc1cccc2nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C)C4)cn21 ZINC000257337234 210001732 /nfs/dbraw/zinc/00/17/32/210001732.db2.gz YRYYSNRSPZFQSU-CQSHLORDSA-N 0 3 352.482 3.120 40 0 FGABHN COCCN1c2ccccc2C2(CCN(Cc3ccsc3)CC2)C1=O ZINC000105524861 209267603 /nfs/dbraw/zinc/26/76/03/209267603.db2.gz CDTPOJMMNGDAPJ-UHFFFAOYSA-N 0 3 356.491 3.275 40 0 FGABHN Cc1ncsc1CN1CC[C@@]2(C1)CCC[C@H](CNc1ccccn1)O2 ZINC000096209900 209135977 /nfs/dbraw/zinc/13/59/77/209135977.db2.gz BDUGUQRMKVQDHX-VQIMIIECSA-N 0 3 358.511 3.472 40 0 FGABHN Cc1cnc(N[C@@H]2CCO[C@]3(CCN(Cc4cccc(F)c4)C3)C2)nc1 ZINC000096209215 209136428 /nfs/dbraw/zinc/13/64/28/209136428.db2.gz VVAALRLMEHHJAO-UYAOXDASSA-N 0 3 356.445 3.160 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C2)C[C@H](NC(=O)c2ccco2)CCO3)cc1 ZINC000096216142 209136449 /nfs/dbraw/zinc/13/64/49/209136449.db2.gz IRTDEVBDGARKSF-WIYYLYMNSA-N 0 3 354.450 3.142 40 0 FGABHN CCCCOc1c(OC)cc(C(=O)OCCN2CCCC2)cc1OC ZINC000004215138 207007676 /nfs/dbraw/zinc/00/76/76/207007676.db2.gz IDMYDMZQNZFFBK-UHFFFAOYSA-N 0 3 351.443 3.135 40 0 in-man FGABHN CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188315 207346071 /nfs/dbraw/zinc/34/60/71/207346071.db2.gz WCLREPAHNKINIR-NRFANRHFSA-N 0 3 370.468 3.295 40 0 FGABHN Cc1cnccc1CN1CCC(O)(Cn2ccc3nc(Cl)ccc32)CC1 ZINC000012089015 207336713 /nfs/dbraw/zinc/33/67/13/207336713.db2.gz UDKRVXPAXYJDIH-UHFFFAOYSA-N 0 3 370.884 3.420 40 0 FGABHN Cc1ccc([C@H](O)CN2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233108 207350267 /nfs/dbraw/zinc/35/02/67/207350267.db2.gz PVGPVPRFOJAMST-OAQYLSRUSA-N 0 3 362.477 3.477 40 0 FGABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)C1(c2ccccc2F)CC1 ZINC000012366172 207366146 /nfs/dbraw/zinc/36/61/46/207366146.db2.gz RYSGSDGJAMFQJV-QGZVFWFLSA-N 0 3 368.452 3.209 40 0 FGABHN CC(C)(C)c1n[nH]cc1CN1CCC(O)(Cn2cnc3ccccc32)CC1 ZINC000019083481 207641121 /nfs/dbraw/zinc/64/11/21/207641121.db2.gz VDMXXTJTQPNBJO-UHFFFAOYSA-N 0 3 367.497 3.084 40 0 FGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374904 207668190 /nfs/dbraw/zinc/66/81/90/207668190.db2.gz VSBHTGOEVXWQNB-RTBURBONSA-N 0 3 357.425 3.210 40 0 FGABHN Cc1cccc(CN2CCC(C(=O)NCCN(C)c3ccccc3)CC2)c1 ZINC000044916787 208322933 /nfs/dbraw/zinc/32/29/33/208322933.db2.gz UYLCALGVJHAJAG-UHFFFAOYSA-N 0 3 365.521 3.460 40 0 FGABHN CC(C)c1cc(N2CCc3cc(Cl)ccc3C2)nc(NCCN(C)C)n1 ZINC000329001463 132372352 /nfs/dbraw/zinc/37/23/52/132372352.db2.gz KEPJSDGFRLKGIW-UHFFFAOYSA-N 0 3 373.932 3.212 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544237 263366247 /nfs/dbraw/zinc/36/62/47/263366247.db2.gz PUSGNZCDJAHWOM-INIZCTEOSA-N 0 3 358.935 3.414 40 0 FGABHN COc1ccc(CCNCC(=O)Nc2ccccc2N2CCCCC2)cc1 ZINC000035311441 494073849 /nfs/dbraw/zinc/07/38/49/494073849.db2.gz FHSYMFVFFMXNKW-UHFFFAOYSA-N 0 3 367.493 3.456 40 0 FGABHN O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039772786 494123557 /nfs/dbraw/zinc/12/35/57/494123557.db2.gz JRYDTELREQUNQY-UHFFFAOYSA-N 0 3 356.397 3.405 40 0 FGABHN COc1ccc(CN2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351246 494156241 /nfs/dbraw/zinc/15/62/41/494156241.db2.gz UDEXLYOZJNLNRK-MRXNPFEDSA-N 0 3 357.454 3.196 40 0 FGABHN C[C@H](O)CN(Cc1ccc2c(c1)OCO2)CC1=Cc2ccccc2OC1 ZINC000013991917 494298765 /nfs/dbraw/zinc/29/87/65/494298765.db2.gz VNJHYDWIQSOUMS-HNNXBMFYSA-N 0 3 353.418 3.074 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000019133205 494436867 /nfs/dbraw/zinc/43/68/67/494436867.db2.gz LPAQBXVYIBNNSL-KPLVRAHFSA-N 0 3 352.478 3.437 40 0 FGABHN COc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1OC ZINC000019567632 494450240 /nfs/dbraw/zinc/45/02/40/494450240.db2.gz SIVRPSKTRGKGGI-MRXNPFEDSA-N 0 3 366.421 3.138 40 0 FGABHN CCCc1ncc(CN(Cc2ccccn2)C[C@@H]2CCCN2CC)cn1 ZINC000023247789 494559165 /nfs/dbraw/zinc/55/91/65/494559165.db2.gz DJUURZSDQCILRU-FQEVSTJZSA-N 0 3 353.514 3.311 40 0 FGABHN O=C1[C@@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111829 495002239 /nfs/dbraw/zinc/00/22/39/495002239.db2.gz UIZKAPBCDFCYAQ-ICSRJNTNSA-N 0 3 363.461 3.393 40 0 biogenic,in-vitro FGABHN COC[C@@H]1CN(C(C)=O)CC12CCN(Cc1ccccc1Cl)CC2 ZINC000247929396 496928825 /nfs/dbraw/zinc/92/88/25/496928825.db2.gz JHRSSAPXQWNSQC-KRWDZBQOSA-N 0 3 350.890 3.047 40 0 FGABHN COc1ccccc1CN1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 ZINC000248140408 496961462 /nfs/dbraw/zinc/96/14/62/496961462.db2.gz PKUABBPGGFVGTD-ONTIZHBOSA-N 0 3 368.477 3.144 40 0 FGABHN Cc1cccnc1NC(=S)NCc1ccc(OC2CCN(C)CC2)cc1 ZINC000225773779 497074720 /nfs/dbraw/zinc/07/47/20/497074720.db2.gz VCDUHRSBJULZDR-UHFFFAOYSA-N 0 3 370.522 3.350 40 0 FGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(CC)cc1 ZINC000252516842 497309682 /nfs/dbraw/zinc/30/96/82/497309682.db2.gz XFDUMIFOQNTHGJ-NJDAHSKKSA-N 0 3 373.518 3.170 40 0 FGABHN Cc1ccsc1CN1CCC[C@@](C)(c2nc3c(c(C)n2)CC(=O)N3C)C1 ZINC000257232232 497393359 /nfs/dbraw/zinc/39/33/59/497393359.db2.gz GJXMRONOBKEOBF-HXUWFJFHSA-N 0 3 370.522 3.228 40 0 FGABHN CN1CCC(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257265552 497396165 /nfs/dbraw/zinc/39/61/65/497396165.db2.gz LZDJSBIOYXQDEX-LJQANCHMSA-N 0 3 371.456 3.410 40 0 FGABHN Cc1ncsc1CN1CCC(Cc2cc(-c3nccn3C)ncn2)CC1 ZINC000257256841 497396531 /nfs/dbraw/zinc/39/65/31/497396531.db2.gz KNBYNRCSCBXXFZ-UHFFFAOYSA-N 0 3 368.510 3.097 40 0 FGABHN O=C(NCc1ccccc1)N1CC[C@H]2CCN(Cc3ccccn3)CC[C@H]21 ZINC000306138905 498741506 /nfs/dbraw/zinc/74/15/06/498741506.db2.gz SKLJXMCNLZCWGI-TZIWHRDSSA-N 0 3 364.493 3.278 40 0 FGABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(C(=O)c3ccccc3F)C2)C1 ZINC000306137413 498741611 /nfs/dbraw/zinc/74/16/11/498741611.db2.gz QVQRLNCNNOWOSI-KRWDZBQOSA-N 0 3 360.473 3.179 40 0 FGABHN Cc1cc(Nc2cc(-c3ccncc3)nc(NCCN(C)C)n2)ccc1F ZINC000328981572 499005389 /nfs/dbraw/zinc/00/53/89/499005389.db2.gz GUJXNEAQDGDUAG-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN c1nc([N-]c2cncc(C[C@@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263281 507581566 /nfs/dbraw/zinc/58/15/66/507581566.db2.gz UXTAEZQJYFGWEU-AWEZNQCLSA-N 0 3 351.479 3.308 40 0 FGABHN CCCN1CC[C@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000257329830 210000094 /nfs/dbraw/zinc/00/00/94/210000094.db2.gz XLSIHCFRTDACSA-KRWDZBQOSA-N 0 3 350.466 3.074 40 0 FGABHN O=C1CC2(CN1Cc1cccnc1)CCN(Cc1ccc(F)cc1)CC2 ZINC000108534652 209290079 /nfs/dbraw/zinc/29/00/79/209290079.db2.gz KFLYGUHOWRCYKB-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000100750206 209217590 /nfs/dbraw/zinc/21/75/90/209217590.db2.gz HFBNROMBRVZSAM-ZWCUEREDSA-N 0 3 366.509 3.245 40 0 FGABHN Cc1ccc(CN2CCC3(CCOC[C@H]3COc3cnccn3)CC2)o1 ZINC000096218392 209137772 /nfs/dbraw/zinc/13/77/72/209137772.db2.gz PGWZKABMSPYWLF-KRWDZBQOSA-N 0 3 357.454 3.076 40 0 FGABHN O=C(N[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2)c1cccs1 ZINC000096221216 209137558 /nfs/dbraw/zinc/13/75/58/209137558.db2.gz AMEJWOHRNZDBEA-AWEZNQCLSA-N 0 3 362.520 3.363 40 0 FGABHN O=C(c1cscn1)N1CCC2(CCN(Cc3ccncc3)CC2)CC1 ZINC000096158435 209127635 /nfs/dbraw/zinc/12/76/35/209127635.db2.gz OVZAPMZGFKPOTE-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@H](C(=O)OCC)[C@H](C)N[C@@H]1C ZINC000005328091 207095037 /nfs/dbraw/zinc/09/50/37/207095037.db2.gz NEWAJILYNWSANI-PZRRSQMKSA-N 0 3 367.873 3.162 40 0 FGABHN CC(=O)NC1(c2ccccc2F)CCN(C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188310 207346977 /nfs/dbraw/zinc/34/69/77/207346977.db2.gz YKLUFHYNJYZTED-NRFANRHFSA-N 0 3 370.468 3.295 40 0 FGABHN C[C@@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCCCC1 ZINC000012087810 207336718 /nfs/dbraw/zinc/33/67/18/207336718.db2.gz HEGHOCZGFYDIJZ-INIZCTEOSA-N 0 3 366.509 3.397 40 0 FGABHN COc1ccccc1C1(O)CCN(Cc2ccccc2-n2cccn2)CC1 ZINC000012328808 207364249 /nfs/dbraw/zinc/36/42/49/207364249.db2.gz BHPYHOCJLHNBPO-UHFFFAOYSA-N 0 3 363.461 3.365 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCC3)C1 ZINC000036741296 208171228 /nfs/dbraw/zinc/17/12/28/208171228.db2.gz WLTDFPCOGHSCOJ-JTHBVZDNSA-N 0 3 367.489 3.201 40 0 FGABHN Nc1cc(-c2c[nH]nc2[C@H]2CCN(CCOCc3ccccc3)C2)ccn1 ZINC000072370833 494160051 /nfs/dbraw/zinc/16/00/51/494160051.db2.gz OGRUSMPENHMUHG-SFHVURJKSA-N 0 3 363.465 3.060 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393046 494163305 /nfs/dbraw/zinc/16/33/05/494163305.db2.gz URPDTQOSZZEGMY-OAHLLOKOSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393046 494163308 /nfs/dbraw/zinc/16/33/08/494163308.db2.gz URPDTQOSZZEGMY-OAHLLOKOSA-N 0 3 352.463 3.273 40 0 FGABHN COc1ccc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)cc1 ZINC000019020511 494434691 /nfs/dbraw/zinc/43/46/91/494434691.db2.gz DLBCEYCFMJYFKZ-OAQYLSRUSA-N 0 3 353.466 3.180 40 0 FGABHN CC(=O)Nc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1 ZINC000019219374 494438114 /nfs/dbraw/zinc/43/81/14/494438114.db2.gz OZLHAKFNBCQFBZ-OAQYLSRUSA-N 0 3 367.493 3.278 40 0 FGABHN c1cnc2ccc(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)cc2c1 ZINC000019347009 494442178 /nfs/dbraw/zinc/44/21/78/494442178.db2.gz CMVHAVTYUKNTOK-UHFFFAOYSA-N 0 3 372.432 3.454 40 0 FGABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575270 494451284 /nfs/dbraw/zinc/45/12/84/494451284.db2.gz ZIENODVQWPXTOT-VHDGCEQUSA-N 0 3 364.848 3.378 40 0 FGABHN Cn1cc(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000019704720 494454588 /nfs/dbraw/zinc/45/45/88/494454588.db2.gz PYILHLJDZOYJJY-HNNXBMFYSA-N 0 3 371.872 3.365 40 0 FGABHN CCc1ncc(CN2C[C@@H](c3ccccc3)[C@@H]3NC(=O)CCCC[C@H]32)cn1 ZINC000019712626 494456325 /nfs/dbraw/zinc/45/63/25/494456325.db2.gz IBKAIHNEQBCWCC-JQVVWYNYSA-N 0 3 364.493 3.066 40 0 FGABHN C[C@@H]1CCCN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[n-]2)C1 ZINC000019717514 494457438 /nfs/dbraw/zinc/45/74/38/494457438.db2.gz YNAOFVRBXGGCHF-MRXNPFEDSA-N 0 3 367.497 3.193 40 0 FGABHN CCN1CCN(c2ccc(NC(=O)c3ccc4nsnc4c3)cc2)CC1 ZINC000057314138 494712375 /nfs/dbraw/zinc/71/23/75/494712375.db2.gz JRRVXYYNAZYHQE-UHFFFAOYSA-N 0 3 367.478 3.086 40 0 FGABHN CCN(CC)C[C@H]1O[C@H](Cc2cc(-c3ccc(F)cc3)on2)CC[C@@H]1O ZINC000096296014 495010014 /nfs/dbraw/zinc/01/00/14/495010014.db2.gz JEHHSBMABMVSQZ-CMKODMSKSA-N 0 3 362.445 3.274 40 0 biogenic,in-vitro FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc(C)c(C)c2)C1 ZINC000248151003 496964379 /nfs/dbraw/zinc/96/43/79/496964379.db2.gz JTCGSYDFKVFFNL-UNMCSNQZSA-N 0 3 355.478 3.329 40 0 FGABHN CC1(C)[C@H](OC[C@H](O)CN(CCO)Cc2ccccc2)[C@]2(C)CC[C@H]1C2 ZINC000245253814 497377631 /nfs/dbraw/zinc/37/76/31/497377631.db2.gz GLAIIEFQDDCTQE-CUXKYVRBSA-N 0 3 361.526 3.073 40 0 FGABHN COCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 ZINC000257213666 497392371 /nfs/dbraw/zinc/39/23/71/497392371.db2.gz CIPODUQYFLWTIE-MRXNPFEDSA-N 0 3 369.465 3.495 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257234604 497393897 /nfs/dbraw/zinc/39/38/97/497393897.db2.gz GUIGLSKTJKIMTB-AWEZNQCLSA-N 0 3 354.483 3.320 40 0 FGABHN CN1CCC(c2cccc(N3C(=O)OC[C@H]3Cc3ccccc3)n2)CC1 ZINC000257290340 497399426 /nfs/dbraw/zinc/39/94/26/497399426.db2.gz QCNVGUUJGVFPSU-GOSISDBHSA-N 0 3 351.450 3.459 40 0 FGABHN Fc1ccc(CN2CC[C@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257315340 497402777 /nfs/dbraw/zinc/40/27/77/497402777.db2.gz VAWQXYURIQXDJO-HNNXBMFYSA-N 0 3 350.401 3.139 40 0 FGABHN c1cncc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306144076 498742867 /nfs/dbraw/zinc/74/28/67/498742867.db2.gz YVOUIPPHRBSXTM-IBGZPJMESA-N 0 3 356.433 3.176 40 0 FGABHN CC(C)CN1CC[C@@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102323 507568324 /nfs/dbraw/zinc/56/83/24/507568324.db2.gz XCGQKYAWIVCLAF-JOCHJYFZSA-N 0 3 369.509 3.372 40 0 FGABHN CN1CC[C@H](COCc2ccncc2)CC12CN(Cc1ccsc1)C2 ZINC000585103060 507568736 /nfs/dbraw/zinc/56/87/36/507568736.db2.gz OQTSJAVNORJEKB-SFHVURJKSA-N 0 3 357.523 3.256 40 0 FGABHN C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585105035 507569903 /nfs/dbraw/zinc/56/99/03/507569903.db2.gz YWLPSBFEKCPUKP-XXBNENTESA-N 0 3 364.489 3.499 40 0 FGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@@H](CN2CC2CCCCC2)C1 ZINC000585107965 507574173 /nfs/dbraw/zinc/57/41/73/507574173.db2.gz NGENNOOBWPBCDV-RBUKOAKNSA-N 0 3 362.539 3.270 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000585283262 507583541 /nfs/dbraw/zinc/58/35/41/507583541.db2.gz DTFWSEVZRHFHOS-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 ZINC000585289157 507585949 /nfs/dbraw/zinc/58/59/49/507585949.db2.gz FKHPJKIQOWAQFV-IPMKNSEASA-N 0 3 352.906 3.027 40 0 FGABHN Cc1ccc2cc(CNC[C@@H](O)COc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000585285781 507587116 /nfs/dbraw/zinc/58/71/16/507587116.db2.gz TXRMMSZQVKFYSI-QGZVFWFLSA-N 0 3 372.852 3.432 40 0 FGABHN CCCN1CC[C@@H](c2nc3c(c(C)n2)CC(=O)N3Cc2ccccc2)C1 ZINC000257329831 210000240 /nfs/dbraw/zinc/00/02/40/210000240.db2.gz XLSIHCFRTDACSA-QGZVFWFLSA-N 0 3 350.466 3.074 40 0 FGABHN Cc1cccnc1CN1CC[C@]2(CCC[C@@H]2C(=O)NC2CC(F)(F)C2)C1 ZINC000108533662 209289558 /nfs/dbraw/zinc/28/95/58/209289558.db2.gz OOOZICLXHZLMHU-VQIMIIECSA-N 0 3 363.452 3.296 40 0 FGABHN FC1(F)CCN(Cc2ccncc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC000096239801 209142053 /nfs/dbraw/zinc/14/20/53/209142053.db2.gz UIVNGWMALJSRNJ-LJQANCHMSA-N 0 3 358.436 3.210 40 0 FGABHN O=C(N1CCCC1)N1CC[C@@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216494 209135782 /nfs/dbraw/zinc/13/57/82/209135782.db2.gz FETHFPJRAKWKPM-NRFANRHFSA-N 0 3 357.498 3.069 40 0 FGABHN c1cc(CN2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)cs1 ZINC000096209198 209136045 /nfs/dbraw/zinc/13/60/45/209136045.db2.gz NNITXDWDYUCRPE-MOPGFXCFSA-N 0 3 351.512 3.315 40 0 FGABHN COc1cccc(CN2CC[C@]3(C2)C[C@H](Nc2ccccn2)CCO3)c1 ZINC000096208252 209134711 /nfs/dbraw/zinc/13/47/11/209134711.db2.gz NSHKPJBYIJJWQA-WIYYLYMNSA-N 0 3 353.466 3.326 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000013670581 220082876 /nfs/dbraw/zinc/08/28/76/220082876.db2.gz DCGWLWZRVJNHLP-KRWDZBQOSA-N 0 3 358.935 3.414 40 0 FGABHN O=C(CNCCN1CCCCC1)Nc1ccc(N2CCCCCC2)cc1 ZINC000035311428 207130825 /nfs/dbraw/zinc/13/08/25/207130825.db2.gz UFHVPHDYZQWNQQ-UHFFFAOYSA-N 0 3 358.530 3.081 40 0 FGABHN CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC3CC3)cc12 ZINC000012186531 207345709 /nfs/dbraw/zinc/34/57/09/207345709.db2.gz RQZBGABOVIHTIA-UHFFFAOYSA-N 0 3 354.429 3.402 40 0 FGABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c1OC ZINC000012089069 207337179 /nfs/dbraw/zinc/33/71/79/207337179.db2.gz WHAAEORZLXUCKQ-VSOVRNOCSA-N 0 3 368.477 3.219 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964112 208213338 /nfs/dbraw/zinc/21/33/38/208213338.db2.gz AFPLMIBTXQMHGB-QGZVFWFLSA-N 0 3 364.380 3.254 40 0 FGABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079410314 208247755 /nfs/dbraw/zinc/24/77/55/208247755.db2.gz HPAOBEHLYZCSDI-PMPSAXMXSA-N 0 3 355.523 3.043 40 0 FGABHN c1cncc(COC[C@@]23CCCO[C@@H]2CCN(Cc2ccncc2)C3)c1 ZINC000096040102 209097878 /nfs/dbraw/zinc/09/78/78/209097878.db2.gz PHLHKOLRWDDKET-RTWAWAEBSA-N 0 3 353.466 3.065 40 0 FGABHN COc1ccc(CN2CC[C@]3(C2)CCCN(c2ncc(F)cn2)C3)cc1 ZINC000096158304 132220953 /nfs/dbraw/zinc/22/09/53/132220953.db2.gz ZIKWRZCTULIYOD-FQEVSTJZSA-N 0 3 356.445 3.117 40 0 FGABHN COc1ccc(N2C(=O)OC3(CCN(Cc4ccccc4)CC3)C2=O)cc1 ZINC000001668996 493797971 /nfs/dbraw/zinc/79/79/71/493797971.db2.gz OUGJXCYNFMQATP-UHFFFAOYSA-N 0 3 366.417 3.213 40 0 FGABHN CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1OC ZINC000072373017 494159906 /nfs/dbraw/zinc/15/99/06/494159906.db2.gz QUMSHCDLXSECGA-JKSUJKDBSA-N 0 3 369.465 3.030 40 0 FGABHN CCOc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[n-]c(C)nc2C3)cc1OC ZINC000072373017 494159910 /nfs/dbraw/zinc/15/99/10/494159910.db2.gz QUMSHCDLXSECGA-JKSUJKDBSA-N 0 3 369.465 3.030 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292424 494219559 /nfs/dbraw/zinc/21/95/59/494219559.db2.gz WGNBFJKNAYQOTJ-SFHVURJKSA-N 0 3 361.869 3.366 40 0 FGABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000013676409 494292458 /nfs/dbraw/zinc/29/24/58/494292458.db2.gz ACKRNUVCLWYFQQ-GASCZTMLSA-N 0 3 358.935 3.127 40 0 FGABHN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccncc1 ZINC000019017782 494434393 /nfs/dbraw/zinc/43/43/93/494434393.db2.gz BMRXNQDOQZIXTI-NJDAHSKKSA-N 0 3 353.441 3.200 40 0 FGABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccc4c(c3)C[C@@H](C)O4)C[C@@H]21 ZINC000019237866 494439132 /nfs/dbraw/zinc/43/91/32/494439132.db2.gz QODWZSKJILONGU-KALSDKHNSA-N 0 3 364.489 3.443 40 0 FGABHN CCN1CCN(Cc2c3cccnc3[nH]c2-c2ccc(OC)cc2)CC1 ZINC000019528211 494447481 /nfs/dbraw/zinc/44/74/81/494447481.db2.gz KDEUPMZCJWSYCI-UHFFFAOYSA-N 0 3 350.466 3.376 40 0 FGABHN Cc1c2ccccc2[nH]c1CN[C@H](C)c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019565949 494450261 /nfs/dbraw/zinc/45/02/61/494450261.db2.gz OROKKRYOSZGIIW-CQSZACIVSA-N 0 3 359.433 3.472 40 0 FGABHN O=C(Cc1ccc2[nH]cnc2c1)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000019654719 494452715 /nfs/dbraw/zinc/45/27/15/494452715.db2.gz KCCHJJKPJPKPIH-NRFANRHFSA-N 0 3 362.477 3.449 40 0 FGABHN O=C(Cc1ccc2nc[nH]c2c1)NC[C@@H](c1ccccc1)N1CCCCC1 ZINC000019654719 494452719 /nfs/dbraw/zinc/45/27/19/494452719.db2.gz KCCHJJKPJPKPIH-NRFANRHFSA-N 0 3 362.477 3.449 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019698295 494454934 /nfs/dbraw/zinc/45/49/34/494454934.db2.gz VZWASCMHABGQPT-NRFANRHFSA-N 0 3 370.541 3.386 40 0 FGABHN COc1ccc2[nH]c(CN(CCN(C)C)Cc3ccccn3)c(C)c2c1 ZINC000022913961 494542508 /nfs/dbraw/zinc/54/25/08/494542508.db2.gz YKBSGGAFOQYMCO-UHFFFAOYSA-N 0 3 352.482 3.444 40 0 FGABHN COc1ccc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cc1O ZINC000247871509 496923461 /nfs/dbraw/zinc/92/34/61/496923461.db2.gz DRWDJBPALHWASJ-XERREHJYSA-N 0 3 357.425 3.270 40 0 FGABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccccc1F)CC2 ZINC000247945336 496930206 /nfs/dbraw/zinc/93/02/06/496930206.db2.gz OOPQLEZYZSVYJZ-HXUWFJFHSA-N 0 3 374.500 3.313 40 0 FGABHN CC(C)N1CCC(O)(c2csc(CN3CCc4ccccc4C3)n2)CC1 ZINC000225474098 497063681 /nfs/dbraw/zinc/06/36/81/497063681.db2.gz CXPSIMFCHVRHFK-UHFFFAOYSA-N 0 3 371.550 3.393 40 0 biogenic,in-vitro FGABHN CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000257277446 497397688 /nfs/dbraw/zinc/39/76/88/497397688.db2.gz NXZYZUQUSRFILB-INIZCTEOSA-N 0 3 363.465 3.039 40 0 FGABHN CN1CCN(C(=O)CC2CCCC2)C[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257273209 497397699 /nfs/dbraw/zinc/39/76/99/497397699.db2.gz NFRVJIGDNMBSDS-SFHVURJKSA-N 0 3 366.509 3.143 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@H]3CCCN(Cc4scnc4C)C3)ncn2)n1 ZINC000257277460 497397811 /nfs/dbraw/zinc/39/78/11/497397811.db2.gz NYBPGINIEXPQRL-OAHLLOKOSA-N 0 3 368.510 3.395 40 0 FGABHN Cn1cc2c(n1)[C@@]1(CCN(Cc3ccccc3)C1)CN(Cc1ccoc1)C2 ZINC000306125331 498736324 /nfs/dbraw/zinc/73/63/24/498736324.db2.gz CMROMPQVBBXNJS-JOCHJYFZSA-N 0 3 362.477 3.173 40 0 FGABHN Cc1noc(C)c1CN1C(=O)CC[C@@]12CCCN(Cc1cccnc1)CC2 ZINC000585099888 507566396 /nfs/dbraw/zinc/56/63/96/507566396.db2.gz QQJDMHHNCJLYID-OAQYLSRUSA-N 0 3 368.481 3.234 40 0 FGABHN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4cccnc4)C[C@@H]32)no1 ZINC000585109603 507574117 /nfs/dbraw/zinc/57/41/17/507574117.db2.gz CWUSJAXQERWJQR-IRFCIJBXSA-N 0 3 374.444 3.078 40 0 FGABHN OC1(COc2ccccc2F)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000585271152 507582676 /nfs/dbraw/zinc/58/26/76/507582676.db2.gz RXFLSDIVHWNCJH-UHFFFAOYSA-N 0 3 355.413 3.108 40 0 FGABHN OC1(COc2ccccc2F)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000585271152 507582684 /nfs/dbraw/zinc/58/26/84/507582684.db2.gz RXFLSDIVHWNCJH-UHFFFAOYSA-N 0 3 355.413 3.108 40 0 FGABHN CN1CCCC[C@H]2[C@H]1C[C@@H](c1ccccc1)N2C(=O)c1n[nH]c2c1CCC2 ZINC000257294373 530053077 /nfs/dbraw/zinc/05/30/77/530053077.db2.gz QTUXHLKITBHMNP-SLFFLAALSA-N 0 3 364.493 3.339 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257341927 210004327 /nfs/dbraw/zinc/00/43/27/210004327.db2.gz ZMLWXRBRAWYOFB-MRXNPFEDSA-N 0 3 352.507 3.298 40 0 FGABHN O=C1CC2(CN1Cc1cccc(F)c1)CCN(Cc1ccccn1)CC2 ZINC000108532401 209288770 /nfs/dbraw/zinc/28/87/70/209288770.db2.gz YUDZAWZZFUEKAK-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN COc1cccc(CN2CCC3(CCN(C(=O)C4CC=CC4)C3)CC2)c1 ZINC000096157614 209126240 /nfs/dbraw/zinc/12/62/40/209126240.db2.gz CXDWPOJDOWYBQJ-UHFFFAOYSA-N 0 3 354.494 3.476 40 0 FGABHN Cn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096146487 209121434 /nfs/dbraw/zinc/12/14/34/209121434.db2.gz GYCXWJJLXKRDKG-UHFFFAOYSA-N 0 3 364.493 3.369 40 0 FGABHN c1ccc(COC[C@@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)nc1 ZINC000096106175 209113167 /nfs/dbraw/zinc/11/31/67/209113167.db2.gz ONSJLKRUBLSOGX-FQEVSTJZSA-N 0 3 353.466 3.065 40 0 FGABHN CCCCN[C@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001667305 206892881 /nfs/dbraw/zinc/89/28/81/206892881.db2.gz HVRXOTZKIFBAIX-WOJBJXKFSA-N 0 3 357.406 3.308 40 0 FGABHN CN(CCN1CCCCC1)C(=O)[C@](O)(c1ccccc1)C1CCCCC1 ZINC000006437481 207141085 /nfs/dbraw/zinc/14/10/85/207141085.db2.gz DKIBIYZRPUJJPU-QFIPXVFZSA-N 0 3 358.526 3.399 40 0 FGABHN CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1NCCN1CCCC1 ZINC000012276312 207353363 /nfs/dbraw/zinc/35/33/63/207353363.db2.gz FOBURUYMKCFOHH-UHFFFAOYSA-N 0 3 354.458 3.071 40 0 FGABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293314 207354438 /nfs/dbraw/zinc/35/44/38/207354438.db2.gz WRNMOFLGJASCSV-WOJBJXKFSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1[nH]c2ccc(C)cc2c1CC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000012360901 207365777 /nfs/dbraw/zinc/36/57/77/207365777.db2.gz OYVCWSLPCOCCTJ-UHFFFAOYSA-N 0 3 364.493 3.313 40 0 FGABHN CCOC(=O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCN(CC)CC1 ZINC000019527040 207677024 /nfs/dbraw/zinc/67/70/24/207677024.db2.gz IGWWRNVBKRBFRR-QGZVFWFLSA-N 0 3 362.445 3.374 40 0 FGABHN Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000031075460 208010905 /nfs/dbraw/zinc/01/09/05/208010905.db2.gz PSPDBIDDJLCBHJ-UHFFFAOYSA-N 0 3 358.507 3.378 40 0 FGABHN CC(C)[C@H](N)C(=O)NC1CCC(N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000079410310 208246580 /nfs/dbraw/zinc/24/65/80/208246580.db2.gz LLXDYWCPBMVTED-GPANFISMSA-N 0 3 355.523 3.043 40 0 FGABHN Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)s1 ZINC000096050774 209102894 /nfs/dbraw/zinc/10/28/94/209102894.db2.gz QGZWTMGSLBXNNN-HXUWFJFHSA-N 0 3 370.474 3.414 40 0 FGABHN Fc1ccc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049553 209103306 /nfs/dbraw/zinc/10/33/06/209103306.db2.gz NQOGOMSMSKNGOZ-NRFANRHFSA-N 0 3 355.457 3.340 40 0 FGABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096051806 209103145 /nfs/dbraw/zinc/10/31/45/209103145.db2.gz DYZRYNJQBNHWID-IBGZPJMESA-N 0 3 370.472 3.123 40 0 FGABHN COc1ccc(CN2CC[C@@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC000096050913 209101796 /nfs/dbraw/zinc/10/17/96/209101796.db2.gz CJDWWJUYVYJTIE-HXUWFJFHSA-N 0 3 371.506 3.085 40 0 FGABHN O=C(c1cccnc1)N1CCC[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047045 209100550 /nfs/dbraw/zinc/10/05/50/209100550.db2.gz WJQSWWSLLPZXDX-OAQYLSRUSA-N 0 3 353.441 3.349 40 0 FGABHN O=C1N(Cc2ccncc2)CC[C@@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048661 209100232 /nfs/dbraw/zinc/10/02/32/209100232.db2.gz ISJKJHWKKYOUPI-OAQYLSRUSA-N 0 3 353.441 3.235 40 0 FGABHN c1cncc(COC[C@]23CCCO[C@H]2CCN(Cc2cccnc2)C3)c1 ZINC000096040101 209098962 /nfs/dbraw/zinc/09/89/62/209098962.db2.gz OXJBSEONSREVAP-LEWJYISDSA-N 0 3 353.466 3.065 40 0 FGABHN c1ccc(OCCN2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1 ZINC000019373509 494443528 /nfs/dbraw/zinc/44/35/28/494443528.db2.gz KPZSLAKAPNRAHQ-UHFFFAOYSA-N 0 3 350.422 3.390 40 0 FGABHN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccnc3)CC[C@H]21 ZINC000019499205 494445978 /nfs/dbraw/zinc/44/59/78/494445978.db2.gz PQHHDKSXOHWKSA-NJDAHSKKSA-N 0 3 367.468 3.447 40 0 FGABHN CN1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)C1 ZINC000019588560 494451901 /nfs/dbraw/zinc/45/19/01/494451901.db2.gz MHICTCPSCPJGJI-QGZVFWFLSA-N 0 3 356.514 3.141 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)CC2CCCC2)n1 ZINC000019698296 494454718 /nfs/dbraw/zinc/45/47/18/494454718.db2.gz VZWASCMHABGQPT-OAQYLSRUSA-N 0 3 370.541 3.386 40 0 FGABHN CCN1CCC[C@@H]1CN(Cc1c(C)nn(CC)c1C)Cc1ccccn1 ZINC000023247781 494558231 /nfs/dbraw/zinc/55/82/31/494558231.db2.gz ABNSXFHLKTWJAM-HXUWFJFHSA-N 0 3 355.530 3.401 40 0 FGABHN O=C(c1cc2ccccc2o1)N1Cc2ccnn2[C@H](CN2CCCCC2)C1 ZINC000247951966 496931287 /nfs/dbraw/zinc/93/12/87/496931287.db2.gz SZWDAXMNNYMPQP-GOSISDBHSA-N 0 3 364.449 3.312 40 0 FGABHN O=C(NCCN1CCCCC1)c1cccn2cc(-c3ccc(F)cc3)nc12 ZINC000257230570 497393562 /nfs/dbraw/zinc/39/35/62/497393562.db2.gz GCWWCKZBCIGQIE-UHFFFAOYSA-N 0 3 366.440 3.356 40 0 FGABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257278842 497397538 /nfs/dbraw/zinc/39/75/38/497397538.db2.gz ODWDIMYFARNORB-MRXNPFEDSA-N 0 3 374.510 3.038 40 0 FGABHN Cc1c[nH]c(-c2cncc(C[C@@H]3CCCN(Cc4cncs4)C3)n2)n1 ZINC000257274389 497397867 /nfs/dbraw/zinc/39/78/67/497397867.db2.gz NKWZQLOGBBULEK-AWEZNQCLSA-N 0 3 354.483 3.086 40 0 FGABHN CC(C)N1CCC[C@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257277189 497398271 /nfs/dbraw/zinc/39/82/71/497398271.db2.gz NWULEIHBSHPWDL-INIZCTEOSA-N 0 3 359.470 3.175 40 0 FGABHN COc1ccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCN4C)on2)cc1 ZINC000257328337 497403985 /nfs/dbraw/zinc/40/39/85/497403985.db2.gz XFEUSOUQJMHXHW-FPOVZHCZSA-N 0 3 369.465 3.439 40 0 FGABHN Cc1nc2c(n1C(C)C)CN(Cc1nccs1)CC21CCN(C)CC1 ZINC000306143254 498743649 /nfs/dbraw/zinc/74/36/49/498743649.db2.gz XXCMZFMFFCFUOU-UHFFFAOYSA-N 0 3 359.543 3.208 40 0 FGABHN Cc1cc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)ccc1F ZINC000328962502 499000476 /nfs/dbraw/zinc/00/04/76/499000476.db2.gz BIHYPCRWFXOXQR-UHFFFAOYSA-N 0 3 357.355 3.082 40 0 FGABHN Cc1cc(Nc2cc(-c3ccccn3)nc(NCCN(C)C)n2)ccc1F ZINC000328995130 499010000 /nfs/dbraw/zinc/01/00/00/499010000.db2.gz JGGUYQHUODLXGW-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccncc4)C[C@@H]32)no1 ZINC000585109744 507574262 /nfs/dbraw/zinc/57/42/62/507574262.db2.gz NWRLEYFKRSARCV-IRFCIJBXSA-N 0 3 374.444 3.078 40 0 FGABHN Cc1c[nH]c(-c2nccnc2C[C@@H]2CCCN(Cc3cncs3)C2)n1 ZINC000257336616 210003811 /nfs/dbraw/zinc/00/38/11/210003811.db2.gz YPFRSBKNIQWTGE-AWEZNQCLSA-N 0 3 354.483 3.086 40 0 FGABHN Cc1ccnc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000225773885 209834594 /nfs/dbraw/zinc/83/45/94/209834594.db2.gz UUWYHPQJLKGEOY-UHFFFAOYSA-N 0 3 370.522 3.350 40 0 FGABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107731241 209278615 /nfs/dbraw/zinc/27/86/15/209278615.db2.gz JLEQOBORKYDHJM-CRAIPNDOSA-N 0 3 362.474 3.221 40 0 FGABHN CN1CCC2(CC1)CN(C(=O)COc1ccccc1)Cc1ccccc12 ZINC000096242398 209143219 /nfs/dbraw/zinc/14/32/19/209143219.db2.gz XLXSUFPKKRXLJD-UHFFFAOYSA-N 0 3 350.462 3.071 40 0 FGABHN CN(Cc1ccccc1)[C@H]1COC2(C1)CCN(Cc1nccs1)CC2 ZINC000096220960 209138294 /nfs/dbraw/zinc/13/82/94/209138294.db2.gz WIURPJCWKQABRS-GOSISDBHSA-N 0 3 357.523 3.399 40 0 FGABHN COc1ncccc1CN1CCC2(CCN(Cc3nccs3)C2)CC1 ZINC000096157444 209125700 /nfs/dbraw/zinc/12/57/00/209125700.db2.gz SJSXOICVOSTHJH-UHFFFAOYSA-N 0 3 358.511 3.035 40 0 FGABHN O=C(c1cscn1)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158379 209125510 /nfs/dbraw/zinc/12/55/10/209125510.db2.gz HRPAZVFXZULHRV-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN Cc1ncccc1NC(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 ZINC000096065369 209107434 /nfs/dbraw/zinc/10/74/34/209107434.db2.gz WZXCULGTKIVNSL-KURKYZTESA-N 0 3 357.479 3.212 40 0 FGABHN C[C@H]1CC(C)(C)N2CC[C@H](C(=O)N3Cc4cc5ccccc5nc4C3)[C@@H]2O1 ZINC000005160918 207084681 /nfs/dbraw/zinc/08/46/81/207084681.db2.gz NPMYSDYHYASACI-OXTHUFEASA-N 0 3 365.477 3.312 40 0 FGABHN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN(CCO)Cc1ccccc1)C2 ZINC000009970714 207290756 /nfs/dbraw/zinc/29/07/56/207290756.db2.gz NWYPYGCCRUVMTM-VMBXEPDQSA-N 0 3 361.526 3.073 40 0 FGABHN COc1cccc(CN2CCC3(CC2)Nc2ccccc2C2=NCCN23)c1 ZINC000012086098 207336482 /nfs/dbraw/zinc/33/64/82/207336482.db2.gz PHJTTXSGIYSPGY-UHFFFAOYSA-N 0 3 362.477 3.175 40 0 FGABHN O=C1NC[C@]2(CCCN(CCCOc3ccccc3)C2)Oc2ccccc21 ZINC000012087285 207336761 /nfs/dbraw/zinc/33/67/61/207336761.db2.gz ILYSKFULPLYKFE-QFIPXVFZSA-N 0 3 366.461 3.113 40 0 FGABHN OCCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1 ZINC000012293206 207352988 /nfs/dbraw/zinc/35/29/88/207352988.db2.gz BXIUIGXLRGOHMW-VSOVRNOCSA-N 0 3 371.452 3.211 40 0 FGABHN O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849343 208207687 /nfs/dbraw/zinc/20/76/87/208207687.db2.gz AKBJRKKUPZQZPA-OAHLLOKOSA-N 0 3 356.397 3.405 40 0 FGABHN c1csc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)c1 ZINC000096056422 209104559 /nfs/dbraw/zinc/10/45/59/209104559.db2.gz HUYQOAGXTHDARA-BHIYHBOVSA-N 0 3 351.512 3.313 40 0 FGABHN Fc1ccc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cc1 ZINC000096056425 209104464 /nfs/dbraw/zinc/10/44/64/209104464.db2.gz SKMUOYOTBQGKFQ-NJDAHSKKSA-N 0 3 363.473 3.391 40 0 FGABHN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047975 209100869 /nfs/dbraw/zinc/10/08/69/209100869.db2.gz CEIZHMUPPUKTDE-SFHVURJKSA-N 0 3 357.523 3.399 40 0 FGABHN COc1ccc(CN2CCC3(C2)CCN(C(=O)c2cccnc2)CC3)cc1 ZINC000096046666 209100737 /nfs/dbraw/zinc/10/07/37/209100737.db2.gz DQIWRONTODUJAE-UHFFFAOYSA-N 0 3 365.477 3.219 40 0 FGABHN COc1ccc(CN2CCC[C@@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048466 209100925 /nfs/dbraw/zinc/10/09/25/209100925.db2.gz HUUGNFFMTNKIER-WIYYLYMNSA-N 0 3 368.481 3.029 40 0 FGABHN C[C@H]1Cc2ccccc2CN1c1cc(NCCN(C)C)nc(C2CC2)n1 ZINC000328996716 132372398 /nfs/dbraw/zinc/37/23/98/132372398.db2.gz JMKUWUGJFDKADU-HNNXBMFYSA-N 0 3 351.498 3.279 40 0 FGABHN CCN(CC)CCN1c2ccc(Cl)cc2C(c2ccccn2)=NCC1=O ZINC000001615078 493796848 /nfs/dbraw/zinc/79/68/48/493796848.db2.gz CCTVZTYWZYFTIB-UHFFFAOYSA-N 0 3 370.884 3.261 40 0 FGABHN COc1cccc(OCC(=O)NCc2ccccc2CN2CCCCC2)c1 ZINC000048399854 493826211 /nfs/dbraw/zinc/82/62/11/493826211.db2.gz OLXIGYMKGILZMH-UHFFFAOYSA-N 0 3 368.477 3.376 40 0 FGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1C ZINC000030326193 493887129 /nfs/dbraw/zinc/88/71/29/493887129.db2.gz MSUZCMXUXRQKFK-UHFFFAOYSA-N 0 3 374.506 3.078 40 0 FGABHN COc1ccccc1CNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039768425 494123722 /nfs/dbraw/zinc/12/37/22/494123722.db2.gz YFOCRWBXEREHOC-UHFFFAOYSA-N 0 3 356.441 3.363 40 0 FGABHN COC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039757977 494124272 /nfs/dbraw/zinc/12/42/72/494124272.db2.gz QECPJFVBOYUXEY-UHFFFAOYSA-N 0 3 370.424 3.463 40 0 FGABHN CC(C)N1CCC(Nc2ncc(-c3nccn3C)c(-c3ccco3)n2)CC1 ZINC000072340788 494153467 /nfs/dbraw/zinc/15/34/67/494153467.db2.gz TZCTYSLZPMXUNN-UHFFFAOYSA-N 0 3 366.469 3.422 40 0 FGABHN COc1cccc(-c2cncc([C@@H]3CCCN(Cc4cnn(C)c4)C3)n2)c1 ZINC000072359726 494156850 /nfs/dbraw/zinc/15/68/50/494156850.db2.gz UYNPNMCWFRSXOU-GOSISDBHSA-N 0 3 363.465 3.265 40 0 FGABHN COc1cccc(-c2nccnc2[C@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359059 494157212 /nfs/dbraw/zinc/15/72/12/494157212.db2.gz WORGFGUJWYHXTG-SFHVURJKSA-N 0 3 363.465 3.265 40 0 FGABHN Cc1nc2ccccn2c1CN1C[C@H]2[C@H](CC[C@]2(O)c2ccc(C)cn2)C1 ZINC000012221555 494214420 /nfs/dbraw/zinc/21/44/20/494214420.db2.gz CTPLHSMEURQVFS-KGVIQGDOSA-N 0 3 362.477 3.076 40 0 FGABHN CN(C)C[C@@H]1COc2ccccc2CN1C(=O)C1(c2ccccc2)CC1 ZINC000012366118 494227600 /nfs/dbraw/zinc/22/76/00/494227600.db2.gz WDLSWWFVRPXNRH-LJQANCHMSA-N 0 3 350.462 3.070 40 0 FGABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3cnc4ccccc4n3)C[C@@H]21 ZINC000013227723 494282912 /nfs/dbraw/zinc/28/29/12/494282912.db2.gz VMBDVSPNEYMOEL-TVTNDZMWSA-N 0 3 360.461 3.063 40 0 FGABHN CC(=O)N1Cc2ccccc2O[C@H](C2CCN(Cc3ccncc3)CC2)C1 ZINC000019019686 494434623 /nfs/dbraw/zinc/43/46/23/494434623.db2.gz DTHJYXHJNJTSNB-QFIPXVFZSA-N 0 3 365.477 3.103 40 0 FGABHN CC(=O)Nc1ccc(CN2Cc3cc(C)ccc3OC[C@@H]2CN(C)C)cc1 ZINC000019219376 494437626 /nfs/dbraw/zinc/43/76/26/494437626.db2.gz OZLHAKFNBCQFBZ-NRFANRHFSA-N 0 3 367.493 3.278 40 0 FGABHN Cc1ccc(O[C@H](C)C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)cc1C ZINC000019214096 494438331 /nfs/dbraw/zinc/43/83/31/494438331.db2.gz BEHWTJNHLGZWKZ-NQIIRXRSSA-N 0 3 374.525 3.173 40 0 FGABHN COc1cccc(CNCc2cc(-c3cccc(C)c3)cn3nnnc23)c1 ZINC000019235306 494439174 /nfs/dbraw/zinc/43/91/74/494439174.db2.gz XHAVHVGDZQZULU-UHFFFAOYSA-N 0 3 359.433 3.398 40 0 FGABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccc4c(c3)C[C@H](C)O4)C[C@@H]21 ZINC000019237867 494440040 /nfs/dbraw/zinc/44/00/40/494440040.db2.gz QODWZSKJILONGU-KZHMMYNISA-N 0 3 364.489 3.443 40 0 FGABHN CCCCc1ncc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cn1 ZINC000019502373 494446123 /nfs/dbraw/zinc/44/61/23/494446123.db2.gz KXMKXFGYLTWXBH-JQVVWYNYSA-N 0 3 366.509 3.252 40 0 FGABHN CN1CCc2nc(C3CCN(C(=O)CC4CCCCC4)CC3)ncc2C1 ZINC000019590665 494451182 /nfs/dbraw/zinc/45/11/82/494451182.db2.gz QGSLTVSZYXZPNJ-UHFFFAOYSA-N 0 3 356.514 3.141 40 0 FGABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@@H]1CCCO1 ZINC000019590804 494451607 /nfs/dbraw/zinc/45/16/07/494451607.db2.gz LPRJCNMKLKCLMF-YRPNKDGESA-N 0 3 360.473 3.174 40 0 FGABHN COCCOc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 ZINC000019593691 494452860 /nfs/dbraw/zinc/45/28/60/494452860.db2.gz QGKQIUSEOHCVTN-UHFFFAOYSA-N 0 3 366.465 3.363 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019698138 494454739 /nfs/dbraw/zinc/45/47/39/494454739.db2.gz XOSVLSDYWVUUOI-OAQYLSRUSA-N 0 3 370.541 3.386 40 0 FGABHN CNc1cc(CN(C)Cc2ccnc3ccccc23)nc([C@H]2CCCN2)n1 ZINC000019759883 494460301 /nfs/dbraw/zinc/46/03/01/494460301.db2.gz DVWIJVCZOFSBEU-LJQANCHMSA-N 0 3 362.481 3.123 40 0 FGABHN CCN1CCC[C@H]1CN(Cc1cccnc1)Cc1cnc(C(C)C)nc1 ZINC000022931864 494542908 /nfs/dbraw/zinc/54/29/08/494542908.db2.gz KNZPVMTWXYJNPN-FQEVSTJZSA-N 0 3 353.514 3.482 40 0 FGABHN COc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047646 494998018 /nfs/dbraw/zinc/99/80/18/494998018.db2.gz JUBQICUQWMOVFS-JXFKEZNVSA-N 0 3 357.429 3.075 40 0 FGABHN COc1ccc2nc3n(c2c1)[C@@H](CNCc1cnc2ccccc2c1)COC3 ZINC000096112622 495002131 /nfs/dbraw/zinc/00/21/31/495002131.db2.gz ZZMAIGMBLJQNHI-KRWDZBQOSA-N 0 3 374.444 3.454 40 0 biogenic,in-vitro FGABHN Cc1ccc2c(n1)N(C)[C@H](CO)CCN(Cc1cn(C)c3ccccc13)C2 ZINC000225494964 497065362 /nfs/dbraw/zinc/06/53/62/497065362.db2.gz KYQXQLQGQMIGNL-IBGZPJMESA-N 0 3 364.493 3.085 40 0 biogenic,in-vitro FGABHN Cc1cccc(CN2CC[C@@H](c3ccnc(Nc4cc(F)ccn4)n3)C2)n1 ZINC000257276605 497397786 /nfs/dbraw/zinc/39/77/86/497397786.db2.gz NULMBEQLXZSMGC-OAHLLOKOSA-N 0 3 364.428 3.447 40 0 FGABHN Cc1c[nH]c(-c2cncc(C[C@H]3CCCN(Cc4cncs4)C3)n2)n1 ZINC000257274390 497397851 /nfs/dbraw/zinc/39/78/51/497397851.db2.gz NKWZQLOGBBULEK-CQSZACIVSA-N 0 3 354.483 3.086 40 0 FGABHN Cc1cccnc1CN1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257301484 497400351 /nfs/dbraw/zinc/40/03/51/497400351.db2.gz RYPISABUPJFBKX-JRGCBEDISA-N 0 3 353.466 3.234 40 0 FGABHN Cc1cccc(CN2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 ZINC000306123396 498736298 /nfs/dbraw/zinc/73/62/98/498736298.db2.gz AMAWWDVYRWPEMD-FCHUYYIVSA-N 0 3 372.472 3.273 40 0 FGABHN Cn1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CCCC2)cn1 ZINC000585103220 507567676 /nfs/dbraw/zinc/56/76/76/507567676.db2.gz ADZGCWXYHNSAFL-HXUWFJFHSA-N 0 3 361.530 3.388 40 0 FGABHN O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCCC2)C1 ZINC000585284614 507583837 /nfs/dbraw/zinc/58/38/37/507583837.db2.gz YVGCOPSLZTWMGJ-GOSISDBHSA-N 0 3 357.853 3.254 40 0 FGABHN CC(C)CN1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 ZINC000514289868 560031196 /nfs/dbraw/zinc/03/11/96/560031196.db2.gz PKKTZMMDVLFFNU-GOSISDBHSA-N 0 3 362.493 3.094 40 0 biogenic,in-vitro FGABHN Cc1ncsc1CN1CCC(c2nccnc2-c2nccn2C)CC1 ZINC000257228603 209969985 /nfs/dbraw/zinc/96/99/85/209969985.db2.gz FUNPEWKNACSQOV-UHFFFAOYSA-N 0 3 354.483 3.022 40 0 FGABHN Cc1nc(Nc2ncccn2)cc([C@@H]2CCCCN2CC2CCOCC2)n1 ZINC000257296212 223055403 /nfs/dbraw/zinc/05/54/03/223055403.db2.gz RBTABXDCSMWKTK-SFHVURJKSA-N 0 3 368.485 3.272 40 0 FGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ncc(F)cn4)CO3)C2)s1 ZINC000107731246 209279179 /nfs/dbraw/zinc/27/91/79/209279179.db2.gz JLEQOBORKYDHJM-QAPCUYQASA-N 0 3 362.474 3.221 40 0 FGABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012292594 219976093 /nfs/dbraw/zinc/97/60/93/219976093.db2.gz DPLXMYLCUJSQGL-JOCHJYFZSA-N 0 3 367.489 3.201 40 0 FGABHN O=C(CCc1cccnc1)N1CC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096203022 209132838 /nfs/dbraw/zinc/13/28/38/209132838.db2.gz XTVQXRITPCRFAW-UHFFFAOYSA-N 0 3 367.468 3.278 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cn1 ZINC000036740028 207290857 /nfs/dbraw/zinc/29/08/57/207290857.db2.gz VKTJQXSXGKQACM-SCWSEQNSSA-N 0 3 355.457 3.298 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC[C@@H]3CN(C(=O)CC(C)C)C[C@@H]32)cc1 ZINC000012188232 207346441 /nfs/dbraw/zinc/34/64/41/207346441.db2.gz ZRRUTDWSKYNLCJ-QUCCMNQESA-N 0 3 357.498 3.114 40 0 FGABHN Cc1nc(C)c(C(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)o1 ZINC000012187140 207346869 /nfs/dbraw/zinc/34/68/69/207346869.db2.gz FMZQZWLCWDFYBY-UHFFFAOYSA-N 0 3 353.466 3.217 40 0 FGABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329420 207364147 /nfs/dbraw/zinc/36/41/47/207364147.db2.gz JJEXCFPEDNMFBP-WOJBJXKFSA-N 0 3 353.462 3.379 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)Cc1cc(F)ccc1F)[C@H](CN(C)C)CO2 ZINC000012406623 207371177 /nfs/dbraw/zinc/37/11/77/207371177.db2.gz KQHFHRXYNJTRLL-GOSISDBHSA-N 0 3 374.431 3.167 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)CCc1ccccc1)[C@@H](CN(C)C)CO2 ZINC000012406640 207372305 /nfs/dbraw/zinc/37/23/05/207372305.db2.gz BABHTGHUOVDXPU-FQEVSTJZSA-N 0 3 352.478 3.279 40 0 FGABHN CN(Cc1ccccc1)C[C@@H](O)c1cccc(I)c1 ZINC000031772638 208018734 /nfs/dbraw/zinc/01/87/34/208018734.db2.gz YPGSEFDICUTVAP-MRXNPFEDSA-N 0 3 367.230 3.457 40 0 FGABHN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000038834510 208205054 /nfs/dbraw/zinc/20/50/54/208205054.db2.gz MFJLJFKCQRYKTP-KRWDZBQOSA-N 0 3 352.434 3.324 40 0 FGABHN Cc1ccccc1CN1CCC(C(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000039748542 263399417 /nfs/dbraw/zinc/39/94/17/263399417.db2.gz VGLXIRBKYDJAKC-UHFFFAOYSA-N 0 3 363.461 3.192 40 0 FGABHN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)nn1 ZINC000004986382 493906065 /nfs/dbraw/zinc/90/60/65/493906065.db2.gz WVUUNZKCQDVQMJ-OAGGEKHMSA-N 0 3 373.476 3.019 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cccc(C)c1C ZINC000006382291 493961147 /nfs/dbraw/zinc/96/11/47/493961147.db2.gz DFPMATMGEZMBLB-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cnn(C)c3)C2)c1 ZINC000072359060 494157115 /nfs/dbraw/zinc/15/71/15/494157115.db2.gz WORGFGUJWYHXTG-GOSISDBHSA-N 0 3 363.465 3.265 40 0 FGABHN COC[C@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCCCC2)C1 ZINC000072354451 494157293 /nfs/dbraw/zinc/15/72/93/494157293.db2.gz MUTNUPJDLZEAKI-FQEVSTJZSA-N 0 3 358.526 3.216 40 0 FGABHN c1ccc(CC[N@@H+]2CCC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377576 494159233 /nfs/dbraw/zinc/15/92/33/494159233.db2.gz LHFVSVKOXZQIIZ-GOSISDBHSA-N 0 3 360.465 3.432 40 0 FGABHN c1ccc(CC[N@H+]2CCC[C@@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377576 494159236 /nfs/dbraw/zinc/15/92/36/494159236.db2.gz LHFVSVKOXZQIIZ-GOSISDBHSA-N 0 3 360.465 3.432 40 0 FGABHN CC(=O)N1CCc2nc([C@H]3CCCCN3CC3CCCCC3)ncc2C1 ZINC000019018262 494434831 /nfs/dbraw/zinc/43/48/31/494434831.db2.gz MWRHSBIGSZQLDC-HXUWFJFHSA-N 0 3 356.514 3.489 40 0 FGABHN Cc1ccc([C@@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019136107 494436853 /nfs/dbraw/zinc/43/68/53/494436853.db2.gz WLSUASXLJKKMGQ-UZLBHIALSA-N 0 3 364.493 3.288 40 0 FGABHN O=c1cc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292844 494440841 /nfs/dbraw/zinc/44/08/41/494440841.db2.gz XENLCXATLAKEKJ-OAHLLOKOSA-N 0 3 368.387 3.100 40 0 FGABHN CN(C)[C@@H]1CN(C(=O)c2ccccc2F)C[C@H]1c1cn(C)c2ccccc12 ZINC000019290459 494440909 /nfs/dbraw/zinc/44/09/09/494440909.db2.gz UMEMOGZLXNNKJJ-GHTZIAJQSA-N 0 3 365.452 3.487 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 ZINC000100722344 495066081 /nfs/dbraw/zinc/06/60/81/495066081.db2.gz NRGSUXPIXSRJFZ-OTWHNJEPSA-N 0 3 360.369 3.331 40 0 FGABHN c1cncc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)c1 ZINC000247819488 496918684 /nfs/dbraw/zinc/91/86/84/496918684.db2.gz CMRARAQNICGHJQ-OAQYLSRUSA-N 0 3 367.493 3.455 40 0 FGABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000252516843 497309487 /nfs/dbraw/zinc/30/94/87/497309487.db2.gz XFDUMIFOQNTHGJ-PWRODBHTSA-N 0 3 373.518 3.170 40 0 FGABHN COc1cccc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCN4C)on2)c1 ZINC000257248996 497395137 /nfs/dbraw/zinc/39/51/37/497395137.db2.gz JGFQVLKWROCWKQ-FPOVZHCZSA-N 0 3 369.465 3.439 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@@H]3CCN(Cc4ccc(F)cc4)C3)ncn2)n1 ZINC000257272037 497397635 /nfs/dbraw/zinc/39/76/35/497397635.db2.gz NAVKAPRFOZXBNM-INIZCTEOSA-N 0 3 351.429 3.379 40 0 FGABHN CN(Cc1cnc[nH]1)[C@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@@H]1O ZINC000257325986 497403916 /nfs/dbraw/zinc/40/39/16/497403916.db2.gz WVHJZTZASQRXRC-OCVXTVMPSA-N 0 3 369.509 3.476 40 0 FGABHN COc1ccccc1C(=O)N1CCC[C@@H](N2CCc3ccccc3C2)C1 ZINC000408613041 499593057 /nfs/dbraw/zinc/59/30/57/499593057.db2.gz WRKTZPJBOAWZAK-LJQANCHMSA-N 0 3 350.462 3.358 40 0 FGABHN Cc1ccncc1CN1CCC[C@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182519 507580272 /nfs/dbraw/zinc/58/02/72/507580272.db2.gz XFPVNLKOMIXARD-SFHVURJKSA-N 0 3 360.465 3.120 40 0 FGABHN O[C@]1(COc2ccc(F)c(Cl)c2)COCCN(C2CCCCC2)C1 ZINC000585284616 507584878 /nfs/dbraw/zinc/58/48/78/507584878.db2.gz YVGCOPSLZTWMGJ-SFHVURJKSA-N 0 3 357.853 3.254 40 0 FGABHN COc1cc(Br)c(CNCCc2ccc(O)cc2)cc1O ZINC000020518178 522022442 /nfs/dbraw/zinc/02/24/42/522022442.db2.gz JBFKJIRYXUAQSW-UHFFFAOYSA-N 0 3 352.228 3.201 40 0 FGABHN c1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)ccn1 ZINC000306142070 210057028 /nfs/dbraw/zinc/05/70/28/210057028.db2.gz WOPHGRZTXYVRBN-SFHVURJKSA-N 0 3 362.481 3.104 40 0 FGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141920 210056899 /nfs/dbraw/zinc/05/68/99/210056899.db2.gz WJZXBBGVJFIVRX-IBGZPJMESA-N 0 3 369.509 3.021 40 0 FGABHN Cc1nc(C[C@H]2CCCN(Cc3ccsc3)C2)cc(C(=O)N(C)C)n1 ZINC000257225834 223028362 /nfs/dbraw/zinc/02/83/62/223028362.db2.gz FIBPHVVBVHDNOI-OAHLLOKOSA-N 0 3 358.511 3.003 40 0 FGABHN Cc1ccc(C(=O)N2CCN(C)C[C@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284053 223049711 /nfs/dbraw/zinc/04/97/11/223049711.db2.gz PBBOIBAUGAQCSB-SFHVURJKSA-N 0 3 374.488 3.185 40 0 FGABHN COCC(=O)N1CC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257332610 223069436 /nfs/dbraw/zinc/06/94/36/223069436.db2.gz XYADWNVLOJFDLF-OAHLLOKOSA-N 0 3 355.438 3.105 40 0 FGABHN Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000019580478 211238563 /nfs/dbraw/zinc/23/85/63/211238563.db2.gz IHYORKLJWWURTH-FQEVSTJZSA-N 0 3 355.482 3.423 40 0 FGABHN COc1ccc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)no2)cc1 ZINC000019661067 211242389 /nfs/dbraw/zinc/24/23/89/211242389.db2.gz SJPBQIUUELQRBF-UHFFFAOYSA-N 0 3 357.454 3.345 40 0 FGABHN CC(C)c1cc(C(=O)N2CCc3nc([C@@H]4CCCN4)ncc3C2)cs1 ZINC000019452204 211224006 /nfs/dbraw/zinc/22/40/06/211224006.db2.gz BJMKLJWVPYFJOQ-INIZCTEOSA-N 0 3 356.495 3.285 40 0 FGABHN COc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)c(OC)c1OC ZINC000019552800 211231566 /nfs/dbraw/zinc/23/15/66/211231566.db2.gz HNQGOVXRLJJCDW-JZXOWHBKSA-N 0 3 360.498 3.019 40 0 FGABHN Cn1cnc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)CN3C)c1 ZINC000019290782 211211010 /nfs/dbraw/zinc/21/10/10/211211010.db2.gz FALLLZMVCNSRFP-SXLOBPIMSA-N 0 3 370.472 3.042 40 0 FGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374903 211220991 /nfs/dbraw/zinc/22/09/91/211220991.db2.gz VSBHTGOEVXWQNB-MOPGFXCFSA-N 0 3 357.425 3.210 40 0 FGABHN O[C@@H]1C[C@H]2CN(Cc3cccc(Cl)c3)[C@H](Cc3ccccc3)CN2C1 ZINC000019372768 211218306 /nfs/dbraw/zinc/21/83/06/211218306.db2.gz BOEPSUUHEHAJOV-QHAWAJNXSA-N 0 3 356.897 3.202 40 0 FGABHN CNc1cc(C)nc([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)c1 ZINC000257261380 533046854 /nfs/dbraw/zinc/04/68/54/533046854.db2.gz LHARPCMLTSUKDL-INIZCTEOSA-N 0 3 353.413 3.157 40 0 FGABHN CNc1ncccc1CN1CCC(c2cc(C)n3nc(C)cc3n2)CC1 ZINC000257342142 533089580 /nfs/dbraw/zinc/08/95/80/533089580.db2.gz ZNGDZASCHODTKS-UHFFFAOYSA-N 0 3 350.470 3.162 40 0 FGABHN COc1cccc(OCCc2cc([C@H]3CN(CC(C)C)CCO3)n[nH]2)c1 ZINC000257251748 533665448 /nfs/dbraw/zinc/66/54/48/533665448.db2.gz JSBNEPRZNLSNGD-HXUWFJFHSA-N 0 3 359.470 3.069 40 0 FGABHN O=C1[C@@H]2C[C@@H](CN2C2CCCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111855 222029578 /nfs/dbraw/zinc/02/95/78/222029578.db2.gz HNZLFVZQPZKSJJ-ICSRJNTNSA-N 0 3 363.461 3.393 40 0 biogenic,in-vitro FGABHN Cn1cc(CN2CCC[C@@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047550 222000312 /nfs/dbraw/zinc/00/03/12/222000312.db2.gz BXNAJNNGGCGOGX-OAQYLSRUSA-N 0 3 370.472 3.107 40 0 FGABHN COc1ccc(CN2CCC3(CCC(=O)N3Cc3cccnc3)CC2)cc1 ZINC000096049379 222002039 /nfs/dbraw/zinc/00/20/39/222002039.db2.gz ONYKPQKLXWNJHP-UHFFFAOYSA-N 0 3 365.477 3.247 40 0 FGABHN c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cc(N2CCCC2)n1 ZINC000035426341 494076039 /nfs/dbraw/zinc/07/60/39/494076039.db2.gz FCTMCPHMKXAVFE-KRWDZBQOSA-N 0 3 369.469 3.048 40 0 biogenic,in-vitro FGABHN COc1ccc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000036739988 494097913 /nfs/dbraw/zinc/09/79/13/494097913.db2.gz DRWDJBPALHWASJ-KLHJMIIUSA-N 0 3 357.425 3.270 40 0 FGABHN COc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848883 494118486 /nfs/dbraw/zinc/11/84/86/494118486.db2.gz ATRAEAQJQRXOBN-GOSISDBHSA-N 0 3 356.441 3.363 40 0 FGABHN CCN1CCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216393 494144721 /nfs/dbraw/zinc/14/47/21/494144721.db2.gz AFRQBMMCVUZAQM-QGZVFWFLSA-N 0 3 360.502 3.296 40 0 FGABHN CCn1ncc(CN2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340440 494153885 /nfs/dbraw/zinc/15/38/85/494153885.db2.gz LXHRRDLKTCIKNR-HBGVWJBISA-N 0 3 357.473 3.470 40 0 FGABHN Cc1nccn1-c1cncc([C@@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000072355572 494157052 /nfs/dbraw/zinc/15/70/52/494157052.db2.gz MHFXLIFLZKZMBS-GOSISDBHSA-N 0 3 363.465 3.229 40 0 FGABHN OCc1ccc(-c2cncc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072359432 494157540 /nfs/dbraw/zinc/15/75/40/494157540.db2.gz XOOPQBDIPBNAQR-LJQANCHMSA-N 0 3 360.461 3.411 40 0 FGABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@@](O)(c2ccc(F)cc2)CC1 ZINC000019500946 494446265 /nfs/dbraw/zinc/44/62/65/494446265.db2.gz ZLPHSYRSKUEUAT-FPOVZHCZSA-N 0 3 362.489 3.290 40 0 FGABHN COc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728595 494591392 /nfs/dbraw/zinc/59/13/92/494591392.db2.gz JUBQICUQWMOVFS-UZLBHIALSA-N 0 3 357.429 3.075 40 0 FGABHN COc1ccccc1CN[C@H]1C[C@@H](Cc2cc(CN(C)C)on2)C1(C)C ZINC000067890215 494684327 /nfs/dbraw/zinc/68/43/27/494684327.db2.gz KAQKZLALRFZOCF-UZLBHIALSA-N 0 3 357.498 3.492 40 0 biogenic,in-vitro FGABHN COc1ccc(CN2CCC(c3nnc4ncc(C5CC5)cn43)CC2)cc1 ZINC000306123143 498736681 /nfs/dbraw/zinc/73/66/81/498736681.db2.gz AFNXMGFMFRPJOY-UHFFFAOYSA-N 0 3 363.465 3.390 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178828 507580154 /nfs/dbraw/zinc/58/01/54/507580154.db2.gz GWOKQHSJAVYODC-HNNXBMFYSA-N 0 3 368.510 3.330 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257341926 529775160 /nfs/dbraw/zinc/77/51/60/529775160.db2.gz ZMLWXRBRAWYOFB-INIZCTEOSA-N 0 3 352.507 3.298 40 0 FGABHN CCOc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1 ZINC000329054028 210133810 /nfs/dbraw/zinc/13/38/10/210133810.db2.gz VJDIPPAPRKPQSH-UHFFFAOYSA-N 0 3 369.391 3.033 40 0 FGABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306143667 210057313 /nfs/dbraw/zinc/05/73/13/210057313.db2.gz YIMBSWNVORRCCR-QFIPXVFZSA-N 0 3 360.461 3.402 40 0 FGABHN Cc1cccnc1Nc1cc(CC2CCN(Cc3cnc[nH]3)CC2)ncn1 ZINC000257298891 223056478 /nfs/dbraw/zinc/05/64/78/223056478.db2.gz RNRXIAKKZJDXGZ-UHFFFAOYSA-N 0 3 363.469 3.101 40 0 FGABHN COc1ccccc1-c1cc(C(=O)N2CCC[C@@H]3N(C)CCC[C@@]32C)[nH]n1 ZINC000257334303 223069234 /nfs/dbraw/zinc/06/92/34/223069234.db2.gz YFJBYUZKJCOOMP-FPOVZHCZSA-N 0 3 368.481 3.174 40 0 FGABHN Cc1ccc([C@@H](O)CN2CCCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887457 211367161 /nfs/dbraw/zinc/36/71/61/211367161.db2.gz PNALMXWLBIBGGR-QFIPXVFZSA-N 0 3 353.510 3.248 40 0 FGABHN COc1ccc2c(c1)OCC(CN1CC[C@](O)(c3ccc(C)cc3)C1)=C2 ZINC000019715759 211249716 /nfs/dbraw/zinc/24/97/16/211249716.db2.gz MLFAGNFDGIPYEK-JOCHJYFZSA-N 0 3 351.446 3.373 40 0 FGABHN CC(C)c1nc2c(nnn2C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(=O)[n-]1 ZINC000019453789 211223791 /nfs/dbraw/zinc/22/37/91/211223791.db2.gz WFNNNFOLTKWTQY-CYBMUJFWSA-N 0 3 372.498 3.024 40 0 FGABHN CC(C)c1nc2c(nnn2C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(=O)[n-]1 ZINC000019453789 211223797 /nfs/dbraw/zinc/22/37/97/211223797.db2.gz WFNNNFOLTKWTQY-CYBMUJFWSA-N 0 3 372.498 3.024 40 0 FGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374907 211221635 /nfs/dbraw/zinc/22/16/35/211221635.db2.gz VSBHTGOEVXWQNB-RBUKOAKNSA-N 0 3 357.425 3.210 40 0 FGABHN CC(C)NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019449953 211220523 /nfs/dbraw/zinc/22/05/23/211220523.db2.gz WZLOGCZSUCPQGZ-WOJBJXKFSA-N 0 3 368.452 3.281 40 0 FGABHN COc1ccc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)cc1 ZINC000019020514 211199954 /nfs/dbraw/zinc/19/99/54/211199954.db2.gz DLBCEYCFMJYFKZ-NRFANRHFSA-N 0 3 353.466 3.180 40 0 FGABHN COc1ccccc1CN1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129329 211204731 /nfs/dbraw/zinc/20/47/31/211204731.db2.gz NGJINJLYZJVVAZ-OAHLLOKOSA-N 0 3 351.454 3.008 40 0 FGABHN CNc1ncccc1CN1CCC[C@@H](c2ccc3c(C)nn(C)c3n2)C1 ZINC000257342852 533089475 /nfs/dbraw/zinc/08/94/75/533089475.db2.gz ZQJHRLPOYKRPBK-OAHLLOKOSA-N 0 3 350.470 3.093 40 0 FGABHN CN(C)CCNc1nc(C2CC2)cc(N2Cc3ccccc3CC2(C)C)n1 ZINC000328993033 132372417 /nfs/dbraw/zinc/37/24/17/132372417.db2.gz IXTTWGXCTAAARV-UHFFFAOYSA-N 0 3 365.525 3.091 40 0 FGABHN c1csc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106679 222024879 /nfs/dbraw/zinc/02/48/79/222024879.db2.gz JHHMSAJFXQLVTL-QGZVFWFLSA-N 0 3 351.512 3.315 40 0 FGABHN Cc1nc(CN2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)cs1 ZINC000096062401 222009673 /nfs/dbraw/zinc/00/96/73/222009673.db2.gz PRGMHPYKINQAQH-GOSISDBHSA-N 0 3 363.552 3.238 40 0 FGABHN Cc1occc1C(=O)N1CCC2(CC(N(C)Cc3ccccn3)C2)CC1 ZINC000096159267 222057997 /nfs/dbraw/zinc/05/79/97/222057997.db2.gz GBZCAXXNTKRIGM-UHFFFAOYSA-N 0 3 353.466 3.500 40 0 FGABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3cccs3)cc2)CC1 ZINC000006517686 493965959 /nfs/dbraw/zinc/96/59/59/493965959.db2.gz NBNGBSUOARJVSA-UHFFFAOYSA-N 0 3 374.535 3.017 40 0 FGABHN Cn1c(COc2ccc(Cl)cc2)nnc1SCCN1CCCC1 ZINC000035291596 494073844 /nfs/dbraw/zinc/07/38/44/494073844.db2.gz FASAZVLMKVXIFE-UHFFFAOYSA-N 0 3 352.891 3.235 40 0 FGABHN Nc1cc(-c2c[nH]nc2[C@H]2CCCN(CCOc3ccccc3)C2)ccn1 ZINC000072356491 494157094 /nfs/dbraw/zinc/15/70/94/494157094.db2.gz AYZJNTQAPJOIFJ-KRWDZBQOSA-N 0 3 363.465 3.312 40 0 FGABHN Cc1ccc([C@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000012292212 494218763 /nfs/dbraw/zinc/21/87/63/494218763.db2.gz PVOMWUYNPGMSTH-LJQANCHMSA-N 0 3 369.461 3.049 40 0 FGABHN CCOc1ccc([C@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012327730 494224651 /nfs/dbraw/zinc/22/46/51/494224651.db2.gz MRLILVPXHCEKNO-OAQYLSRUSA-N 0 3 355.478 3.411 40 0 FGABHN Cc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329415 494225326 /nfs/dbraw/zinc/22/53/26/494225326.db2.gz JJEXCFPEDNMFBP-UXHICEINSA-N 0 3 353.462 3.379 40 0 FGABHN COCCOc1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012363619 494226305 /nfs/dbraw/zinc/22/63/05/494226305.db2.gz YCRWGVGYRNJSTM-UHFFFAOYSA-N 0 3 359.441 3.335 40 0 FGABHN CN(CCNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916759 494388300 /nfs/dbraw/zinc/38/83/00/494388300.db2.gz KJKFMTOYMRPSEG-IBGZPJMESA-N 0 3 369.484 3.290 40 0 FGABHN Cc1ccc2[nH]cc(CCN[C@H]3CC(=O)N(c4cccc(C)c4)C3=O)c2c1 ZINC000017074420 494407843 /nfs/dbraw/zinc/40/78/43/494407843.db2.gz DXAVGJJPVPNAND-FQEVSTJZSA-N 0 3 361.445 3.249 40 0 FGABHN Cn1cc(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704722 494455260 /nfs/dbraw/zinc/45/52/60/494455260.db2.gz HDOTWOAFIGRKQZ-HNNXBMFYSA-N 0 3 371.872 3.365 40 0 FGABHN CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1cnc(C(C)C)nc1 ZINC000022931861 494543892 /nfs/dbraw/zinc/54/38/92/494543892.db2.gz KNZPVMTWXYJNPN-HXUWFJFHSA-N 0 3 353.514 3.482 40 0 FGABHN c1ccc(CN2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040187 494997300 /nfs/dbraw/zinc/99/73/00/494997300.db2.gz SQNPUZHTVDNRGL-LEWJYISDSA-N 0 3 353.466 3.065 40 0 FGABHN COc1ccc(CN2CCC3(C[C@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047880 494998467 /nfs/dbraw/zinc/99/84/67/494998467.db2.gz QMUOHCKNMUDBNX-NRFANRHFSA-N 0 3 368.477 3.431 40 0 FGABHN Cc1ccc(CN2CCC[C@@]3(CCN(Cc4cccc(C)n4)C3=O)C2)o1 ZINC000096048793 494999713 /nfs/dbraw/zinc/99/97/13/494999713.db2.gz KUYMHWKDMZMYCH-OAQYLSRUSA-N 0 3 353.466 3.306 40 0 FGABHN c1ccc(CN2CC[C@H]3OCCC[C@@]3(COCc3cccnc3)C2)nc1 ZINC000247834723 496920295 /nfs/dbraw/zinc/92/02/95/496920295.db2.gz ISSPGGPHHDAFOE-RTWAWAEBSA-N 0 3 353.466 3.065 40 0 FGABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)COC)cc1 ZINC000218519608 497003207 /nfs/dbraw/zinc/00/32/07/497003207.db2.gz LIOYCOABXWMXEA-HKBOAZHASA-N 0 3 373.518 3.089 40 0 FGABHN CC(C)n1cc2c(n1)C1(CCN(Cc3cccs3)CC1)CN(C)C2=O ZINC000306123086 498737135 /nfs/dbraw/zinc/73/71/35/498737135.db2.gz AEDLQXZXRDHRIG-UHFFFAOYSA-N 0 3 358.511 3.145 40 0 FGABHN Cc1c[nH]c(-c2cnc(C[C@@H]3CCN(Cc4scnc4C)C3)cn2)n1 ZINC000585178833 507580297 /nfs/dbraw/zinc/58/02/97/507580297.db2.gz IGVKOHKUNRHEGK-AWEZNQCLSA-N 0 3 354.483 3.005 40 0 FGABHN CCOCCOc1ccc(CN(C)C[C@H](O)COC2CCCCC2)cc1 ZINC000585270272 507581402 /nfs/dbraw/zinc/58/14/02/507581402.db2.gz SHLQWUKFHUSELT-IBGZPJMESA-N 0 3 365.514 3.244 40 0 FGABHN CN1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COc1ccc(F)cc1F ZINC000257280105 529824101 /nfs/dbraw/zinc/82/41/01/529824101.db2.gz OJLTXQVGDGJJNL-XBQLCILLSA-N 0 3 364.436 3.207 40 0 FGABHN CN1CCC(c2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1 ZINC000257290341 530051105 /nfs/dbraw/zinc/05/11/05/530051105.db2.gz QCNVGUUJGVFPSU-SFHVURJKSA-N 0 3 351.450 3.459 40 0 FGABHN O=c1c2ccccc2nc(SCCN2CCCCC2)n1C[C@@H]1CCCO1 ZINC000000933527 219342394 /nfs/dbraw/zinc/34/23/94/219342394.db2.gz WHHAMHIESPDCNL-INIZCTEOSA-N 0 3 373.522 3.154 40 0 FGABHN Cc1cnccc1CN1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 ZINC000257256033 223040422 /nfs/dbraw/zinc/04/04/22/223040422.db2.gz KJUORQNNUURBPC-QGZVFWFLSA-N 0 3 361.453 3.093 40 0 FGABHN COCC(=O)N1CCC[C@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257260401 223041243 /nfs/dbraw/zinc/04/12/43/223041243.db2.gz LCSARBOCYCAMLR-INIZCTEOSA-N 0 3 369.465 3.495 40 0 FGABHN Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000019580481 211237280 /nfs/dbraw/zinc/23/72/80/211237280.db2.gz IHYORKLJWWURTH-HXUWFJFHSA-N 0 3 355.482 3.423 40 0 FGABHN COc1ccccc1CN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCN(C)CC1 ZINC000019588152 211237018 /nfs/dbraw/zinc/23/70/18/211237018.db2.gz AUAJPNIELFYOAZ-FUHIMQAGSA-N 0 3 354.494 3.330 40 0 FGABHN O=C(Nc1ccccc1CN1CCCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000019659881 211242724 /nfs/dbraw/zinc/24/27/24/211242724.db2.gz AWRBONJFACGYLU-SFHVURJKSA-N 0 3 369.509 3.402 40 0 FGABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575932 211234704 /nfs/dbraw/zinc/23/47/04/211234704.db2.gz OTXJAWDMHUKOCI-RRFJBIMHSA-N 0 3 369.490 3.196 40 0 FGABHN O=c1cc(-c2ccccn2)nc([C@H]2CCCN(Cc3cccc(F)c3)C2)[nH]1 ZINC000019402442 211220382 /nfs/dbraw/zinc/22/03/82/211220382.db2.gz WSCVFVLNQQNLMK-INIZCTEOSA-N 0 3 364.424 3.351 40 0 FGABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(c2ncc(F)cn2)C3)cc1 ZINC000096158303 132220833 /nfs/dbraw/zinc/22/08/33/132220833.db2.gz ZIKWRZCTULIYOD-HXUWFJFHSA-N 0 3 356.445 3.117 40 0 FGABHN Cc1ncsc1CN1CCC2(CO[C@@H](COc3cccnc3)C2)CC1 ZINC000096106110 222024635 /nfs/dbraw/zinc/02/46/35/222024635.db2.gz RJGIDOKZTXYWNL-QGZVFWFLSA-N 0 3 359.495 3.297 40 0 FGABHN COc1ccc(CN2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000096055154 222004960 /nfs/dbraw/zinc/00/49/60/222004960.db2.gz LATIFVFCHPNAAX-WIYYLYMNSA-N 0 3 356.441 3.172 40 0 FGABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261478 222104800 /nfs/dbraw/zinc/10/48/00/222104800.db2.gz XSHVLUJLTOKWHH-PLMTUMEDSA-N 0 3 355.457 3.077 40 0 FGABHN Clc1cncc(OC[C@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)c1 ZINC000096219490 222084512 /nfs/dbraw/zinc/08/45/12/222084512.db2.gz RHDFDRHIKFPGOT-IAOVAPTHSA-N 0 3 350.871 3.322 40 0 FGABHN c1csc(CN2CCC[C@@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229316 222091435 /nfs/dbraw/zinc/09/14/35/222091435.db2.gz GKWXDZYIMJVOSE-FQEVSTJZSA-N 0 3 357.523 3.258 40 0 FGABHN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853740 494119086 /nfs/dbraw/zinc/11/90/86/494119086.db2.gz HSZLPUHFGAWLSS-MRXNPFEDSA-N 0 3 370.424 3.448 40 0 FGABHN COc1ccc(CN2CCC(c3nccnc3-n3ccnc3C)CC2)cc1 ZINC000072350513 494156439 /nfs/dbraw/zinc/15/64/39/494156439.db2.gz BCJAJGVJAKFZHZ-UHFFFAOYSA-N 0 3 363.465 3.359 40 0 FGABHN c1cc(CN2CCn3c(nnc3[C@H]3CCCN3)C2)cc(OC2CCCC2)c1 ZINC000072373969 494160064 /nfs/dbraw/zinc/16/00/64/494160064.db2.gz PMOPDVNGRVQIHP-LJQANCHMSA-N 0 3 367.497 3.040 40 0 FGABHN CC[C@@H](CN1CCC(C)CC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012239883 494217144 /nfs/dbraw/zinc/21/71/44/494217144.db2.gz AMTWTTGYTSHQHP-IBGZPJMESA-N 0 3 360.498 3.067 40 0 FGABHN CCOc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012275811 494218835 /nfs/dbraw/zinc/21/88/35/494218835.db2.gz BKRPCIQOLBCKPC-KRWDZBQOSA-N 0 3 365.481 3.398 40 0 FGABHN CC[C@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012362867 494226433 /nfs/dbraw/zinc/22/64/33/494226433.db2.gz PBQMBPGRBSCSFT-MRXNPFEDSA-N 0 3 361.486 3.482 40 0 FGABHN C=Cn1cc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)c(C)n1 ZINC000012345364 494226542 /nfs/dbraw/zinc/22/65/42/494226542.db2.gz SLGWRXJREIHUMD-PMSBKCLSSA-N 0 3 353.466 3.315 40 0 FGABHN Cc1cc(C)n(CCCN(C)Cc2cnc(N3CCC(C)CC3)nc2)n1 ZINC000019719784 494458895 /nfs/dbraw/zinc/45/88/95/494458895.db2.gz JXFUGISXUMVDCZ-UHFFFAOYSA-N 0 3 356.518 3.048 40 0 FGABHN COc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000096047647 494998447 /nfs/dbraw/zinc/99/84/47/494998447.db2.gz JUBQICUQWMOVFS-OXJNMPFZSA-N 0 3 357.429 3.075 40 0 FGABHN c1cncc(COCC[C@H]2CCOC23CCN(Cc2cccnc2)CC3)c1 ZINC000247815392 496918761 /nfs/dbraw/zinc/91/87/61/496918761.db2.gz AXRFAKQJHWJZHB-NRFANRHFSA-N 0 3 367.493 3.455 40 0 FGABHN c1cncc(COCC[C@@H]2CCOC23CCN(Cc2cccnc2)CC3)c1 ZINC000247815396 496918980 /nfs/dbraw/zinc/91/89/80/496918980.db2.gz AXRFAKQJHWJZHB-OAQYLSRUSA-N 0 3 367.493 3.455 40 0 FGABHN c1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCc3cccnc3)C2)nc1 ZINC000247834726 496920602 /nfs/dbraw/zinc/92/06/02/496920602.db2.gz ISSPGGPHHDAFOE-SFTDATJTSA-N 0 3 353.466 3.065 40 0 FGABHN CN(Cc1ccc(OCCF)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257212997 497390288 /nfs/dbraw/zinc/39/02/88/497390288.db2.gz CFTVXMMKVNSIHM-IBGZPJMESA-N 0 3 356.441 3.483 40 0 FGABHN Cc1c[nH]c(-c2cnc(C[C@H]3CCN(Cc4scnc4C)C3)cn2)n1 ZINC000585178834 507580454 /nfs/dbraw/zinc/58/04/54/507580454.db2.gz IGVKOHKUNRHEGK-CQSZACIVSA-N 0 3 354.483 3.005 40 0 FGABHN CN(C)C/C=C/C(=O)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585292657 507586266 /nfs/dbraw/zinc/58/62/66/507586266.db2.gz PZZPGQSAYFVIEH-PPYMECGQSA-N 0 3 371.510 3.106 40 0 FGABHN Cc1cccc(O[C@@H]2CCC[C@H](N(CCO)Cc3ccccc3)[C@H]2O)c1 ZINC000585288572 507586764 /nfs/dbraw/zinc/58/67/64/507586764.db2.gz DZKVAFFKYPXSOK-BHDDXSALSA-N 0 3 355.478 3.150 40 0 FGABHN CC[C@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257261813 529441522 /nfs/dbraw/zinc/44/15/22/529441522.db2.gz LIXGHPSCZJRZKW-SEEKVXKWSA-N 0 3 372.509 3.198 40 0 FGABHN CN1CCC[C@@H]2N(C(=O)COc3ccc(F)c(Cl)c3)CCC[C@@]21C ZINC000257342402 530059157 /nfs/dbraw/zinc/05/91/57/530059157.db2.gz ZOKNVMBUYWOZSN-WMZOPIPTSA-N 0 3 354.853 3.333 40 0 FGABHN Cc1cc(Cl)cc(C)c1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329021781 210130332 /nfs/dbraw/zinc/13/03/32/210130332.db2.gz OJKVWSLCSURECB-UHFFFAOYSA-N 0 3 359.905 3.185 40 0 FGABHN c1cc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)ccn1 ZINC000306142069 210057331 /nfs/dbraw/zinc/05/73/31/210057331.db2.gz WOPHGRZTXYVRBN-GOSISDBHSA-N 0 3 362.481 3.104 40 0 FGABHN Cc1nc(Nc2ncccn2)cc([C@H]2CCCCN2CC2CCOCC2)n1 ZINC000257296211 223055449 /nfs/dbraw/zinc/05/54/49/223055449.db2.gz RBTABXDCSMWKTK-GOSISDBHSA-N 0 3 368.485 3.272 40 0 FGABHN COc1ccccc1-c1noc(C)c1C(=O)NCCN1CCC(C)CC1 ZINC000019579683 211238586 /nfs/dbraw/zinc/23/85/86/211238586.db2.gz PEFSDDKUWWIIPB-UHFFFAOYSA-N 0 3 357.454 3.120 40 0 FGABHN COc1c(CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(C)nn1C ZINC000019654486 211243623 /nfs/dbraw/zinc/24/36/23/211243623.db2.gz BTGDAQSNBSBHKP-HNNXBMFYSA-N 0 3 353.470 3.068 40 0 FGABHN Cc1nc2ccccc2n1Cc1cc(NC[C@H]2CCCN(C)C2)nc(C)n1 ZINC000019655897 211242842 /nfs/dbraw/zinc/24/28/42/211242842.db2.gz DHLRTRNMQMIEKP-QGZVFWFLSA-N 0 3 364.497 3.245 40 0 FGABHN CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2CN2CCSCC2)C1 ZINC000019498699 211225488 /nfs/dbraw/zinc/22/54/88/211225488.db2.gz GRNMCNJFHFIBJI-OAHLLOKOSA-N 0 3 372.538 3.228 40 0 FGABHN O=C(c1cc([C@@H]2CCCN(CCc3ccccc3)C2)no1)N1CCCC1 ZINC000019371271 211218774 /nfs/dbraw/zinc/21/87/74/211218774.db2.gz LGEDQPDCXHWCKS-GOSISDBHSA-N 0 3 353.466 3.333 40 0 FGABHN COc1cccc(CN2CCC([C@H](NC(C)=O)c3ccccn3)CC2)c1 ZINC000019020556 211198902 /nfs/dbraw/zinc/19/89/02/211198902.db2.gz OBFHEZHQHIXETK-NRFANRHFSA-N 0 3 353.466 3.180 40 0 FGABHN COc1ccc(OC)c(CN2C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C2)c1 ZINC000019215793 211205515 /nfs/dbraw/zinc/20/55/15/211205515.db2.gz IZMBGBIPCSOVJX-NBCNXNJRSA-N 0 3 368.477 3.137 40 0 FGABHN CCN(CC)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O ZINC000005470993 210622968 /nfs/dbraw/zinc/62/29/68/210622968.db2.gz MIRIREYUAUBEPX-UHFFFAOYSA-N 0 3 351.450 3.265 40 0 FGABHN CCN1CCN(c2cc(NC(=O)c3cccc(C)c3)c(N)cc2C)CC1 ZINC000216867921 132271671 /nfs/dbraw/zinc/27/16/71/132271671.db2.gz RLCIKEQXFZWXPE-UHFFFAOYSA-N 0 3 352.482 3.280 40 0 FGABHN O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CN2CCCC2)cc1 ZINC000073047324 136149794 /nfs/dbraw/zinc/14/97/94/136149794.db2.gz QPIWPOSFVQILNB-UHFFFAOYSA-N 0 3 365.477 3.371 40 0 FGABHN Cc1ncsc1CN1CC[C@H]2OCC[C@@]2(COCc2cccnc2)C1 ZINC000096110398 222028041 /nfs/dbraw/zinc/02/80/41/222028041.db2.gz PHINXVGIKVRAIT-MOPGFXCFSA-N 0 3 359.495 3.044 40 0 FGABHN Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052253 222002904 /nfs/dbraw/zinc/00/29/04/222002904.db2.gz DWALCSUBUOCBSC-LJQANCHMSA-N 0 3 354.450 3.455 40 0 FGABHN COc1cccc(CN2CC[C@@]3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077351 222013462 /nfs/dbraw/zinc/01/34/62/222013462.db2.gz NJVYCWPAIAEVQG-JOCHJYFZSA-N 0 3 368.452 3.459 40 0 FGABHN O=C(c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1)N1CCCCC1 ZINC000096155930 222056808 /nfs/dbraw/zinc/05/68/08/222056808.db2.gz UOODDDYPZZFPSA-UHFFFAOYSA-N 0 3 366.509 3.097 40 0 FGABHN Cc1ccc(CN2CCC3(CCOC[C@@H]3NC(=O)C(C)C)CC2)s1 ZINC000096209794 222079730 /nfs/dbraw/zinc/07/97/30/222079730.db2.gz LWEHJGHBTTYPKJ-KRWDZBQOSA-N 0 3 350.528 3.200 40 0 FGABHN COc1ccc(OC[C@H](C)NCc2cnc(N3CCC[C@H](C)C3)nc2)cc1 ZINC000036734493 494096786 /nfs/dbraw/zinc/09/67/86/494096786.db2.gz ARRIVEKUSOJVQK-IRXDYDNUSA-N 0 3 370.497 3.279 40 0 FGABHN O=C1N[C@@]2(COC3(C2)CCN(Cc2cccs2)CC3)Nc2ccccc21 ZINC000072325387 494152075 /nfs/dbraw/zinc/15/20/75/494152075.db2.gz AEHFEAKLJOLDOS-FQEVSTJZSA-N 0 3 369.490 3.055 40 0 FGABHN COC(=O)[C@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341111 494155056 /nfs/dbraw/zinc/15/50/56/494155056.db2.gz LVJACXWVFKPSDY-QTEQDKRBSA-N 0 3 363.457 3.395 40 0 FGABHN Cn1cc(CN2CCC[C@H](c3nccnc3-c3ccccc3F)C2)cn1 ZINC000072359053 494157337 /nfs/dbraw/zinc/15/73/37/494157337.db2.gz ZCSYABASUBCBGQ-INIZCTEOSA-N 0 3 351.429 3.396 40 0 FGABHN CCN1CCN(c2ccc(NC(=O)c3ccc(OC)cc3OC)cc2)CC1 ZINC000011946872 494198110 /nfs/dbraw/zinc/19/81/10/494198110.db2.gz JSGJZAQJQFFRFU-UHFFFAOYSA-N 0 3 369.465 3.098 40 0 FGABHN COC[C@@H](C)NCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186378 494211937 /nfs/dbraw/zinc/21/19/37/494211937.db2.gz LPYMURKDLVPLEE-CQSZACIVSA-N 0 3 368.481 3.136 40 0 FGABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccccc3)CC1)C[C@@H]2O ZINC000012293307 494220167 /nfs/dbraw/zinc/22/01/67/494220167.db2.gz NLBZCFOSXWZRHN-PMACEKPBSA-N 0 3 369.461 3.079 40 0 FGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccccc3)CC1)O2 ZINC000012293322 494220669 /nfs/dbraw/zinc/22/06/69/494220669.db2.gz WRNMOFLGJASCSV-PMACEKPBSA-N 0 3 369.461 3.079 40 0 FGABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012362811 494227094 /nfs/dbraw/zinc/22/70/94/494227094.db2.gz YAWJAMWIEJBPAN-HNNXBMFYSA-N 0 3 360.498 3.276 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047112 494998457 /nfs/dbraw/zinc/99/84/57/494998457.db2.gz MXZAONUWQZMQPU-FQEVSTJZSA-N 0 3 355.507 3.200 40 0 FGABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccccc1F)CC2 ZINC000247945329 496930446 /nfs/dbraw/zinc/93/04/46/496930446.db2.gz OOPQLEZYZSVYJZ-FQEVSTJZSA-N 0 3 374.500 3.313 40 0 FGABHN CCc1ccc2c(c1)onc2-c1nc(C)c(C(=O)NCCN(C)C)s1 ZINC000206336967 496973580 /nfs/dbraw/zinc/97/35/80/496973580.db2.gz WNBVCPUADZLXIS-UHFFFAOYSA-N 0 3 358.467 3.114 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224674440 497051803 /nfs/dbraw/zinc/05/18/03/497051803.db2.gz QBUZDDLGRKLBRL-QGZVFWFLSA-N 0 3 368.543 3.245 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@H]3C2)cn1 ZINC000253606537 497346236 /nfs/dbraw/zinc/34/62/36/497346236.db2.gz RAEYJWJNGGKLRB-LQBOVUBWSA-N 0 3 367.493 3.167 40 0 FGABHN O=C(CCC1CCCC1)N1CCNC[C@H](Cc2ccnc3cccnc23)C1 ZINC000257334200 534329900 /nfs/dbraw/zinc/32/99/00/534329900.db2.gz YEZVBVPVIVQILL-SFHVURJKSA-N 0 3 366.509 3.191 40 0 FGABHN CCc1nc(C)c(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)CN3C(C)=O)[nH]1 ZINC000257258414 529723559 /nfs/dbraw/zinc/72/35/59/529723559.db2.gz KTTHYLDXIZDKFO-SFHLNBCPSA-N 0 3 366.509 3.117 40 0 FGABHN CN1CCC[C@@]2(C)[C@@H]1CCCCN2C(=O)c1cccc(-c2cncnc2)n1 ZINC000257250418 530059218 /nfs/dbraw/zinc/05/92/18/530059218.db2.gz JMKXJBZJSISMMD-FPOVZHCZSA-N 0 3 365.481 3.018 40 0 FGABHN Cc1cccc(CN2CC[C@]3(C2)CN(Cc2cccnc2)c2cccnc23)n1 ZINC000306142537 210058331 /nfs/dbraw/zinc/05/83/31/210058331.db2.gz XCLRMVWHOGURCN-QHCPKHFHSA-N 0 3 371.488 3.344 40 0 FGABHN Cc1c[nH]c(-c2nccnc2CC2CCN(Cc3scnc3C)CC2)n1 ZINC000257223913 223026994 /nfs/dbraw/zinc/02/69/94/223026994.db2.gz DZMFCTXCXXWTOC-UHFFFAOYSA-N 0 3 368.510 3.395 40 0 FGABHN O=C(Cc1ccc2[nH]cnc2c1)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000019654717 211243793 /nfs/dbraw/zinc/24/37/93/211243793.db2.gz KCCHJJKPJPKPIH-OAQYLSRUSA-N 0 3 362.477 3.449 40 0 FGABHN O=C(Cc1ccc2nc[nH]c2c1)NC[C@H](c1ccccc1)N1CCCCC1 ZINC000019654717 211243795 /nfs/dbraw/zinc/24/37/95/211243795.db2.gz KCCHJJKPJPKPIH-OAQYLSRUSA-N 0 3 362.477 3.449 40 0 FGABHN C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575278 211234673 /nfs/dbraw/zinc/23/46/73/211234673.db2.gz OTXJAWDMHUKOCI-QLFBSQMISA-N 0 3 369.490 3.196 40 0 FGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)cc1OC ZINC000019560763 211232722 /nfs/dbraw/zinc/23/27/22/211232722.db2.gz APTDSUWNOUEOPP-QIDMFYOTSA-N 0 3 368.477 3.219 40 0 FGABHN CCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019527394 211229053 /nfs/dbraw/zinc/22/90/53/211229053.db2.gz LJIZRFPIKGGEBR-JOCHJYFZSA-N 0 3 363.505 3.481 40 0 FGABHN COc1c(C)cccc1CN1CC[C@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235938 211209302 /nfs/dbraw/zinc/20/93/02/211209302.db2.gz LHZBUYCBYWUYNP-QFIPXVFZSA-N 0 3 350.462 3.324 40 0 FGABHN COc1ccc(CN2CC[C@H](O)[C@@H](Oc3cccc(OC)c3)CC2)cc1 ZINC000257230032 533570185 /nfs/dbraw/zinc/57/01/85/533570185.db2.gz GAMGVGLEWLARHC-SFTDATJTSA-N 0 3 357.450 3.108 40 0 FGABHN Cc1ccc(CNC[C@H]2OCCc3cn(Cc4ccccn4)nc32)s1 ZINC000096059786 222006985 /nfs/dbraw/zinc/00/69/85/222006985.db2.gz RBFQYEBXTDJXBY-GOSISDBHSA-N 0 3 354.479 3.100 40 0 FGABHN c1cc(CN2CC[C@H]3O[C@@H](COCC4CCOCC4)CC[C@H]32)cs1 ZINC000096083129 222016889 /nfs/dbraw/zinc/01/68/89/222016889.db2.gz VGATWGKBXVZDDA-GUDVDZBRSA-N 0 3 351.512 3.313 40 0 FGABHN Clc1cncc(OC[C@@H]2CO[C@@H]3CN(Cc4ccsc4)C[C@H]23)c1 ZINC000096219435 222083361 /nfs/dbraw/zinc/08/33/61/222083361.db2.gz RHDFDRHIKFPGOT-KBRIMQKVSA-N 0 3 350.871 3.322 40 0 FGABHN O=C(c1ccc2[nH]ccc2c1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228786 222089459 /nfs/dbraw/zinc/08/94/59/222089459.db2.gz TWUDDKPEHOYNPH-QFIPXVFZSA-N 0 3 367.493 3.133 40 0 FGABHN CCCNC(=S)NC1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1OC ZINC000035290516 494073809 /nfs/dbraw/zinc/07/38/09/494073809.db2.gz PAXOTYMMLPPXJJ-AYHJJNSGSA-N 0 3 361.555 3.455 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741290 494097337 /nfs/dbraw/zinc/09/73/37/494097337.db2.gz HKKVYNZWJTVDEZ-AZUAARDMSA-N 0 3 361.869 3.366 40 0 FGABHN CC1CCN(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)CC1 ZINC000012087800 494202990 /nfs/dbraw/zinc/20/29/90/494202990.db2.gz JLGQUGOLCKSZOF-UHFFFAOYSA-N 0 3 366.509 3.255 40 0 FGABHN COc1cc(C)c(CN2CCC3(CC2)OCCc2cnc(C)nc23)cc1C ZINC000012126197 494206804 /nfs/dbraw/zinc/20/68/04/494206804.db2.gz JFXYZMDDLOTVJN-UHFFFAOYSA-N 0 3 367.493 3.474 40 0 FGABHN CN(C)Cc1ccc(CN2C[C@H](CN3CCOCC3)c3ccccc32)cc1 ZINC000012148202 494209512 /nfs/dbraw/zinc/20/95/12/494209512.db2.gz BSSWAECRIMRGCQ-NRFANRHFSA-N 0 3 365.521 3.184 40 0 FGABHN CCN(CCN(C)C)c1ncc(-c2cnccn2)c(-c2cccs2)n1 ZINC000012186297 494211127 /nfs/dbraw/zinc/21/11/27/494211127.db2.gz HOIWVMKWJFQFNF-UHFFFAOYSA-N 0 3 354.483 3.050 40 0 FGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc(C)cc2)CC1 ZINC000012188304 494211805 /nfs/dbraw/zinc/21/18/05/494211805.db2.gz GQYVEQVMGQTUMJ-NRFANRHFSA-N 0 3 352.478 3.156 40 0 FGABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)cc1CO ZINC000012293111 494219964 /nfs/dbraw/zinc/21/99/64/494219964.db2.gz BGADEUNHLILKHS-VSOVRNOCSA-N 0 3 371.452 3.341 40 0 FGABHN Cc1cc(C)n(CCNCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012338376 494225375 /nfs/dbraw/zinc/22/53/75/494225375.db2.gz FJDYEMOZXDNBMH-UHFFFAOYSA-N 0 3 356.857 3.298 40 0 FGABHN Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(Br)s2)on1 ZINC000012366574 494227605 /nfs/dbraw/zinc/22/76/05/494227605.db2.gz JQYVPOQSWZQNSQ-ZWNOBZJWSA-N 0 3 357.273 3.154 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CC1)[C@H](CN(C)C)CO2 ZINC000012406607 494230441 /nfs/dbraw/zinc/23/04/41/494230441.db2.gz CTCQRGXBVVJAIM-HXUWFJFHSA-N 0 3 364.489 3.378 40 0 FGABHN CC(C)(C)OC(=O)N1CC(NCCc2ccc(Br)cc2)C1 ZINC000090635727 494490026 /nfs/dbraw/zinc/49/00/26/494490026.db2.gz VBOSSDDHOCSJCZ-UHFFFAOYSA-N 0 3 355.276 3.201 40 0 FGABHN c1ccc(CN2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)nc1 ZINC000096040186 494997370 /nfs/dbraw/zinc/99/73/70/494997370.db2.gz SQNPUZHTVDNRGL-NHCUHLMSSA-N 0 3 353.466 3.065 40 0 FGABHN CN(Cc1cccnc1)[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096047974 494998304 /nfs/dbraw/zinc/99/83/04/494998304.db2.gz CEIZHMUPPUKTDE-GOSISDBHSA-N 0 3 357.523 3.399 40 0 FGABHN COc1ccc(CN2CCC3(CCN(C(=O)c4cscn4)C3)CC2)cc1 ZINC000096046543 494998669 /nfs/dbraw/zinc/99/86/69/494998669.db2.gz UUPXXONDZPZTTB-UHFFFAOYSA-N 0 3 371.506 3.280 40 0 FGABHN CCN(CC)CCCN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 ZINC000575420965 505975388 /nfs/dbraw/zinc/97/53/88/505975388.db2.gz LLYDMXCNKSBQOB-SFHVURJKSA-N 0 3 372.962 3.061 40 0 FGABHN Cc1ccccc1S(=O)(=O)N1CC[C@@H]2[C@H](CN2CC2CCCCC2)C1 ZINC000585107966 507574502 /nfs/dbraw/zinc/57/45/02/507574502.db2.gz NGENNOOBWPBCDV-RTBURBONSA-N 0 3 362.539 3.270 40 0 FGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@@H](O)c1ccccc1 ZINC000585270306 507582946 /nfs/dbraw/zinc/58/29/46/507582946.db2.gz UHWOKEPCUJRTOM-HXUWFJFHSA-N 0 3 351.450 3.165 40 0 FGABHN Cc1cccc(OC[C@@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000585283157 507583692 /nfs/dbraw/zinc/58/36/92/507583692.db2.gz CQWCWUWGRLGZCZ-SFHVURJKSA-N 0 3 352.434 3.087 40 0 FGABHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000685938952 568434613 /nfs/dbraw/zinc/43/46/13/568434613.db2.gz HQMWMOHLMWYEOC-SXLOBPIMSA-N 0 3 359.514 3.240 40 0 FGABHN CN1CCN(Cc2cncs2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257295233 529775347 /nfs/dbraw/zinc/77/53/47/529775347.db2.gz QXNLXUXMTVMUDB-MRXNPFEDSA-N 0 3 352.507 3.298 40 0 FGABHN COc1ccc(C)cc1CN1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000014001517 210180811 /nfs/dbraw/zinc/18/08/11/210180811.db2.gz YXJNKCOOOKHNIR-JOCHJYFZSA-N 0 3 350.462 3.324 40 0 FGABHN Cc1ccc(CN2CCO[C@]3(CCCC[C@H]3NCc3cccnc3)C2)o1 ZINC000306140307 210056268 /nfs/dbraw/zinc/05/62/68/210056268.db2.gz UPLGBIPQGMCRFW-NHCUHLMSSA-N 0 3 355.482 3.286 40 0 FGABHN c1csc(CN[C@@H]2CCc3nc(NCc4ccccc4)ncc3C2)n1 ZINC000306129528 210052512 /nfs/dbraw/zinc/05/25/12/210052512.db2.gz IGDCPDAUGRBRTK-MRXNPFEDSA-N 0 3 351.479 3.192 40 0 FGABHN CCn1cc(-c2cc(C(=O)N3CCC[C@@]4(C)[C@@H]3CCCCN4C)on2)cn1 ZINC000257265352 223042658 /nfs/dbraw/zinc/04/26/58/223042658.db2.gz LYHYBWVNOZREBR-ICSRJNTNSA-N 0 3 371.485 3.037 40 0 FGABHN Cc1c[nH]c(-c2nccnc2C2CCN(Cc3scnc3C)CC2)n1 ZINC000257276816 223046697 /nfs/dbraw/zinc/04/66/97/223046697.db2.gz NVGFOXLGVGNZKL-UHFFFAOYSA-N 0 3 354.483 3.320 40 0 FGABHN COc1ccc2nc(CN(CCN(C)C)Cc3ccccn3)ccc2c1 ZINC000022913953 211367831 /nfs/dbraw/zinc/36/78/31/211367831.db2.gz YPHFFQMIKHPCQY-UHFFFAOYSA-N 0 3 350.466 3.202 40 0 FGABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)[C@H]1CCCO1 ZINC000019590805 211239915 /nfs/dbraw/zinc/23/99/15/211239915.db2.gz LPRJCNMKLKCLMF-NMLBUPMWSA-N 0 3 360.473 3.174 40 0 FGABHN Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239190 211208552 /nfs/dbraw/zinc/20/85/52/211208552.db2.gz PVPICOALNLXFHR-AWEZNQCLSA-N 0 3 355.829 3.478 40 0 FGABHN O=c1cc(-c2ccncc2)nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]1 ZINC000019334054 211215553 /nfs/dbraw/zinc/21/55/53/211215553.db2.gz UTZQJQHDFKYZDK-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN CCN(CC)CCOC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1 ZINC000001711012 210368376 /nfs/dbraw/zinc/36/83/76/210368376.db2.gz KMMFOJSQYACPCG-UHFFFAOYSA-N 0 3 355.478 3.424 40 0 FGABHN CO[C@H]1CCCOC12CCN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257308782 533234586 /nfs/dbraw/zinc/23/45/86/533234586.db2.gz TYBYRSYPUCIICC-IBGZPJMESA-N 0 3 353.466 3.304 40 0 FGABHN Cc1cc(CNC(=O)c2ncccc2-c2cccc(CN(C)C)c2)on1 ZINC000257238630 533682150 /nfs/dbraw/zinc/68/21/50/533682150.db2.gz HLVWWZBBJPGFDR-UHFFFAOYSA-N 0 3 350.422 3.037 40 0 FGABHN COC[C@@H]1COCCC12CCN(CCOc1ccc(Cl)cc1)CC2 ZINC000096106330 222024767 /nfs/dbraw/zinc/02/47/67/222024767.db2.gz BAJSYIDURUMULL-MRXNPFEDSA-N 0 3 353.890 3.484 40 0 FGABHN Fc1ccc(CN2CC[C@H]3OCC[C@@]3(COCc3cccnc3)C2)cc1 ZINC000096110396 222027545 /nfs/dbraw/zinc/02/75/45/222027545.db2.gz XJGLVHHNNNNVDM-RTWAWAEBSA-N 0 3 356.441 3.419 40 0 FGABHN Cc1ccsc1CN1CC[C@]2(C[C@H](OCC3CCOCC3)CO2)C1 ZINC000096110871 222029391 /nfs/dbraw/zinc/02/93/91/222029391.db2.gz LCGCHFZWZDFMFU-HKUYNNGSSA-N 0 3 351.512 3.233 40 0 FGABHN Cc1cccc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)n1 ZINC000096296384 222112355 /nfs/dbraw/zinc/11/23/55/222112355.db2.gz QOCMHEDSAVAUIM-SFHVURJKSA-N 0 3 352.413 3.081 40 0 biogenic,in-vitro FGABHN CN(C)CCNC(=O)c1cc(-c2ccn(C3CCCC3)n2)n2ccccc12 ZINC000096154729 222056021 /nfs/dbraw/zinc/05/60/21/222056021.db2.gz AWONJHBLHSHIDG-UHFFFAOYSA-N 0 3 365.481 3.209 40 0 FGABHN Cc1occc1C(=O)N1CCC2(CC(N(C)Cc3ccncc3)C2)CC1 ZINC000096159277 222057946 /nfs/dbraw/zinc/05/79/46/222057946.db2.gz XXEKQCDCHPXYCI-UHFFFAOYSA-N 0 3 353.466 3.500 40 0 FGABHN O=C(N[C@@H]1COCCC12CCN(Cc1ccoc1)CC2)c1ccccc1 ZINC000096209859 222080699 /nfs/dbraw/zinc/08/06/99/222080699.db2.gz NZOIZDMKXAGJRY-LJQANCHMSA-N 0 3 354.450 3.081 40 0 FGABHN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000004986376 493905549 /nfs/dbraw/zinc/90/55/49/493905549.db2.gz WVUUNZKCQDVQMJ-JYJNAYRXSA-N 0 3 373.476 3.019 40 0 FGABHN O=S(=O)(NCc1ccccc1CN1CCCC1)c1ccc(Cl)cc1 ZINC000031075252 493922841 /nfs/dbraw/zinc/92/28/41/493922841.db2.gz MTJPMASVPFVDBS-UHFFFAOYSA-N 0 3 364.898 3.414 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)cc(C)c1 ZINC000006382278 493961477 /nfs/dbraw/zinc/96/14/77/493961477.db2.gz GQVUMCWXXJPOHD-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN COCCNc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 ZINC000035425202 494076452 /nfs/dbraw/zinc/07/64/52/494076452.db2.gz RYFYKOSJOCDHKW-HNNXBMFYSA-N 0 3 359.474 3.373 40 0 biogenic,in-vitro FGABHN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834535 494119102 /nfs/dbraw/zinc/11/91/02/494119102.db2.gz PESXULKPAHJOOP-MRXNPFEDSA-N 0 3 370.424 3.463 40 0 FGABHN Cc1nccn1-c1cncc([C@H]2CCCN(CCOc3ccccc3)C2)n1 ZINC000072355573 494157445 /nfs/dbraw/zinc/15/74/45/494157445.db2.gz MHFXLIFLZKZMBS-SFHVURJKSA-N 0 3 363.465 3.229 40 0 FGABHN Cc1cc(Oc2ccc(F)cc2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000072363077 494158408 /nfs/dbraw/zinc/15/84/08/494158408.db2.gz CNEXXIKTLNAWRN-UHFFFAOYSA-N 0 3 372.444 3.160 40 0 FGABHN COc1ccccc1CC(=O)N1CCC(c2cc(N(C)C)cc(C)n2)CC1 ZINC000072391706 494161861 /nfs/dbraw/zinc/16/18/61/494161861.db2.gz VOEPPCNWKCIHGN-UHFFFAOYSA-N 0 3 367.493 3.413 40 0 FGABHN C[C@@H]1CCCN(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000012087798 494202485 /nfs/dbraw/zinc/20/24/85/494202485.db2.gz QIPPBUVFJSBLCR-MRXNPFEDSA-N 0 3 366.509 3.255 40 0 FGABHN C[C@H]1CCCN(CC(=O)N2CCC(c3nc4ccccc4cc3N)CC2)C1 ZINC000012087799 494202508 /nfs/dbraw/zinc/20/25/08/494202508.db2.gz QIPPBUVFJSBLCR-INIZCTEOSA-N 0 3 366.509 3.255 40 0 FGABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012292235 494218756 /nfs/dbraw/zinc/21/87/56/494218756.db2.gz XAIWFUNHGPDQJU-NRFANRHFSA-N 0 3 355.478 3.329 40 0 FGABHN CCc1ncc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccc(OC)cc2)cn1 ZINC000012361664 494226702 /nfs/dbraw/zinc/22/67/02/494226702.db2.gz PMBUUPNTWARAON-QIDMFYOTSA-N 0 3 367.493 3.167 40 0 FGABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)ccc1O ZINC000019550042 494448482 /nfs/dbraw/zinc/44/84/82/494448482.db2.gz VIWZXVCCPCEWEL-RRMPHLOHSA-N 0 3 357.425 3.270 40 0 FGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OCC ZINC000095534531 494989627 /nfs/dbraw/zinc/98/96/27/494989627.db2.gz CCYRGKVBZGMAKP-QGZVFWFLSA-N 0 3 354.410 3.023 40 0 FGABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 ZINC000096043362 494998523 /nfs/dbraw/zinc/99/85/23/494998523.db2.gz HJVIZPPTNVRRBD-FGTMMUONSA-N 0 3 357.479 3.009 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047122 494998541 /nfs/dbraw/zinc/99/85/41/494998541.db2.gz CVPCGKOAUGHPCH-QFIPXVFZSA-N 0 3 367.468 3.278 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@H](N(C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048078 494998589 /nfs/dbraw/zinc/99/85/89/494998589.db2.gz KJKPHSOCANYJJO-IBGZPJMESA-N 0 3 355.482 3.239 40 0 FGABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048045 494998687 /nfs/dbraw/zinc/99/86/87/494998687.db2.gz UQNUZWDFTFDJSL-SFHVURJKSA-N 0 3 357.523 3.399 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(C(=O)c2ccccc2)CCO3)o1 ZINC000096049002 494999406 /nfs/dbraw/zinc/99/94/06/494999406.db2.gz ULJHAIYWMRLOPR-UHFFFAOYSA-N 0 3 354.450 3.095 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2cccnc2)CCO3)s1 ZINC000096048934 494999815 /nfs/dbraw/zinc/99/98/15/494999815.db2.gz UKECPLVZHYIJNP-UHFFFAOYSA-N 0 3 357.523 3.319 40 0 FGABHN CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000257237075 497393578 /nfs/dbraw/zinc/39/35/78/497393578.db2.gz HFBNROMBRVZSAM-JLMWRMLUSA-N 0 3 366.509 3.245 40 0 FGABHN Cc1ccc2ncc(CN3CCC4(CC(NC(=O)OCCF)C4)CC3)n2c1 ZINC000585102944 507567822 /nfs/dbraw/zinc/56/78/22/507567822.db2.gz JQUOXZWENPOQRQ-UHFFFAOYSA-N 0 3 374.460 3.083 40 0 FGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccsc3)C2)OC1 ZINC000585103244 507568207 /nfs/dbraw/zinc/56/82/07/507568207.db2.gz AJWQFMKKRHWCKN-SFHVURJKSA-N 0 3 357.523 3.256 40 0 FGABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104079 507569984 /nfs/dbraw/zinc/56/99/84/507569984.db2.gz IWLDMHNSYXEZDR-JOCHJYFZSA-N 0 3 368.452 3.390 40 0 FGABHN CN(Cc1cccnc1)C[C@@H]1CCC2(CN(Cc3ccc(F)cc3)C2)OC1 ZINC000585105182 507570286 /nfs/dbraw/zinc/57/02/86/507570286.db2.gz PSKQGAPDTNMETN-FQEVSTJZSA-N 0 3 369.484 3.334 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000585285606 507584019 /nfs/dbraw/zinc/58/40/19/507584019.db2.gz QYCAFGXPLDQNMA-SFHVURJKSA-N 0 3 352.434 3.087 40 0 FGABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)nc2C)C1 ZINC000257199964 529954708 /nfs/dbraw/zinc/95/47/08/529954708.db2.gz ABMDHBOVHIYEHX-AWEZNQCLSA-N 0 3 368.506 3.292 40 0 FGABHN Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1Cl ZINC000329025288 210130590 /nfs/dbraw/zinc/13/05/90/210130590.db2.gz PFILAEFEOYQQTI-UHFFFAOYSA-N 0 3 373.810 3.018 40 0 FGABHN Cc1cccc(CN2CC[C@@]3(C2)CN(Cc2cccnc2)c2cccnc23)n1 ZINC000306142536 210057456 /nfs/dbraw/zinc/05/74/56/210057456.db2.gz XCLRMVWHOGURCN-HSZRJFAPSA-N 0 3 371.488 3.344 40 0 FGABHN Cc1cccc(CN2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123399 210049530 /nfs/dbraw/zinc/04/95/30/210049530.db2.gz AMAWWDVYRWPEMD-YADHBBJMSA-N 0 3 372.472 3.273 40 0 FGABHN c1cnc2c(c1)N(Cc1cccnc1)C[C@]21CCN(Cc2cccnc2)C1 ZINC000306124554 210048613 /nfs/dbraw/zinc/04/86/13/210048613.db2.gz BTNGITUORWVNJP-JOCHJYFZSA-N 0 3 357.461 3.036 40 0 FGABHN Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccncc1 ZINC000000686141 219313442 /nfs/dbraw/zinc/31/34/42/219313442.db2.gz ZAIYJOXKHRMYMI-XDHOZWIPSA-N 0 3 372.453 3.259 40 0 FGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CN(C)C)C2)n1 ZINC000257225778 223028408 /nfs/dbraw/zinc/02/84/08/223028408.db2.gz FHTKTNBGVFAUCC-HNNXBMFYSA-N 0 3 356.445 3.150 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2cncc(-c3nccn3C)n2)C1 ZINC000257273061 223045130 /nfs/dbraw/zinc/04/51/30/223045130.db2.gz NFCKEUYZRUIUNB-AWEZNQCLSA-N 0 3 354.483 3.022 40 0 FGABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)c1 ZINC000257285174 223050876 /nfs/dbraw/zinc/05/08/76/223050876.db2.gz PFYONGNUDXGWIL-UHFFFAOYSA-N 0 3 374.366 3.280 40 0 FGABHN Cc1csc(Nc2cc(C)nc([C@H]3CCN(C4CCOCC4)C3)n2)n1 ZINC000257290792 223052614 /nfs/dbraw/zinc/05/26/14/223052614.db2.gz QEIWFFDCPSKJND-AWEZNQCLSA-N 0 3 359.499 3.262 40 0 FGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000059616879 212017290 /nfs/dbraw/zinc/01/72/90/212017290.db2.gz WBPLFGZLXPQFKC-NRFANRHFSA-N 0 3 352.478 3.326 40 0 FGABHN CCn1cc(-c2cc(C(=O)Nc3ccccc3CN3CCCC3)no2)cn1 ZINC000019719241 211251204 /nfs/dbraw/zinc/25/12/04/211251204.db2.gz OBOIDFWXWJVTFC-UHFFFAOYSA-N 0 3 365.437 3.406 40 0 FGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)Cc1cccnc1 ZINC000019590187 211238696 /nfs/dbraw/zinc/23/86/96/211238696.db2.gz DUNWUKDGYDDKKM-MQSCRBSSSA-N 0 3 363.505 3.493 40 0 FGABHN CN(C)CCN(Cc1ccccn1)Cc1cc2ccccc2nc1N(C)C ZINC000019582622 211237811 /nfs/dbraw/zinc/23/78/11/211237811.db2.gz HXMCPESBXFUTPZ-UHFFFAOYSA-N 0 3 363.509 3.260 40 0 FGABHN CN1CCC[C@H](c2ncc3c(n2)CCN(C(=O)CC2CCCCC2)C3)C1 ZINC000019588562 211237835 /nfs/dbraw/zinc/23/78/35/211237835.db2.gz MHICTCPSCPJGJI-KRWDZBQOSA-N 0 3 356.514 3.141 40 0 FGABHN COc1c(CNCC2(c3cc(C)cc(C)c3)CCOCC2)c(C)nn1C ZINC000019569619 211235075 /nfs/dbraw/zinc/23/50/75/211235075.db2.gz CIEZKWCKBDSQSR-UHFFFAOYSA-N 0 3 357.498 3.192 40 0 FGABHN CCN1CCN(C2CCN(C(=O)c3oc4ccc(C)cc4c3C)CC2)CC1 ZINC000019528132 211227970 /nfs/dbraw/zinc/22/79/70/211227970.db2.gz FKZJDTTXYFJREQ-UHFFFAOYSA-N 0 3 369.509 3.292 40 0 FGABHN COc1ccc(C2(O)CCN(C[C@@H](O)c3ccc(C)c(C)c3)CC2)cc1 ZINC000012292233 210935011 /nfs/dbraw/zinc/93/50/11/210935011.db2.gz XAIWFUNHGPDQJU-OAQYLSRUSA-N 0 3 355.478 3.329 40 0 FGABHN COc1ccc(CN(C)C)cc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 ZINC000257308306 533536835 /nfs/dbraw/zinc/53/68/35/533536835.db2.gz TWGPOTFVGRVXIV-RCVZYCBYSA-N 0 3 360.498 3.282 40 0 FGABHN c1csc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)c1 ZINC000096106678 222024709 /nfs/dbraw/zinc/02/47/09/222024709.db2.gz JHHMSAJFXQLVTL-KRWDZBQOSA-N 0 3 351.512 3.315 40 0 FGABHN c1ccc(COC[C@H]2CC3(CO2)CCN(Cc2cccnc2)CC3)nc1 ZINC000096106177 222025300 /nfs/dbraw/zinc/02/53/00/222025300.db2.gz TYVTYQMFSKIWNM-HXUWFJFHSA-N 0 3 353.466 3.065 40 0 FGABHN O=C(N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccsc1 ZINC000096206613 222076581 /nfs/dbraw/zinc/07/65/81/222076581.db2.gz JUOBROQQKGVNJH-UYAOXDASSA-N 0 3 356.491 3.302 40 0 FGABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1)c1ccsc1 ZINC000096209549 222079422 /nfs/dbraw/zinc/07/94/22/222079422.db2.gz JUOBROQQKGVNJH-AZUAARDMSA-N 0 3 356.491 3.302 40 0 FGABHN COc1ccc(CN2CCC3(C[C@H](Nc4ccccn4)CO3)CC2)cc1 ZINC000096221285 222085649 /nfs/dbraw/zinc/08/56/49/222085649.db2.gz IDSZQQDTGVSHHW-SFHVURJKSA-N 0 3 353.466 3.326 40 0 FGABHN CC[C@@H](C)c1ccccc1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000006440505 493963854 /nfs/dbraw/zinc/96/38/54/493963854.db2.gz LUARTIXBNIEQLK-UYAOXDASSA-N 0 3 357.494 3.434 40 0 FGABHN CC[C@H](C)c1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1 ZINC000006449920 493964281 /nfs/dbraw/zinc/96/42/81/493964281.db2.gz LUARTIXBNIEQLK-ICSRJNTNSA-N 0 3 357.494 3.434 40 0 FGABHN Cc1cccc(CN2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)c1 ZINC000039759843 494124133 /nfs/dbraw/zinc/12/41/33/494124133.db2.gz PVTDBEVZKRCBOA-UHFFFAOYSA-N 0 3 363.461 3.192 40 0 FGABHN COC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000039743756 494124197 /nfs/dbraw/zinc/12/41/97/494124197.db2.gz ADHOVNKVKWWMGD-UHFFFAOYSA-N 0 3 352.434 3.324 40 0 FGABHN Nc1cc(C2CCN(Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000072352937 494156452 /nfs/dbraw/zinc/15/64/52/494156452.db2.gz LFMSRPJVSSUPGU-UHFFFAOYSA-N 0 3 364.428 3.035 40 0 FGABHN O=C(C1CCC1)N1CCN(Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355150 494156890 /nfs/dbraw/zinc/15/68/90/494156890.db2.gz DXPJCEFDBJJKPX-FQEVSTJZSA-N 0 3 363.505 3.385 40 0 FGABHN CC[C@H]1CCCCN1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012147459 494208962 /nfs/dbraw/zinc/20/89/62/494208962.db2.gz VLKZUSFRWCCRDU-KRWDZBQOSA-N 0 3 352.482 3.226 40 0 FGABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713229 494456185 /nfs/dbraw/zinc/45/61/85/494456185.db2.gz FYMFCGYXJWYZPA-VQTJNVASSA-N 0 3 370.472 3.261 40 0 FGABHN O[C@]1(c2ccccc2)CCN(Cc2ccccc2OC[C@H]2CCCO2)C1 ZINC000247955717 496933013 /nfs/dbraw/zinc/93/30/13/496933013.db2.gz NENIBONWCBTBBS-IFMALSPDSA-N 0 3 353.462 3.338 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000224674486 497052133 /nfs/dbraw/zinc/05/21/33/497052133.db2.gz QBUZDDLGRKLBRL-KRWDZBQOSA-N 0 3 368.543 3.245 40 0 FGABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000255963057 497382044 /nfs/dbraw/zinc/38/20/44/497382044.db2.gz ASGBDICQONEGBH-HUUCEWRRSA-N 0 3 373.419 3.304 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)cc1 ZINC000585285604 507584925 /nfs/dbraw/zinc/58/49/25/507584925.db2.gz QYCAFGXPLDQNMA-GOSISDBHSA-N 0 3 352.434 3.087 40 0 FGABHN Cc1ccccc1O[C@@H]1CCC[C@H](N(CCO)Cc2ccccc2)[C@H]1O ZINC000585289176 507586338 /nfs/dbraw/zinc/58/63/38/507586338.db2.gz FTXVNBDNLUYSFX-KSEOMHKRSA-N 0 3 355.478 3.150 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(C)C(=O)c2cn(C(C)C)nc23)s1 ZINC000306136965 533920793 /nfs/dbraw/zinc/92/07/93/533920793.db2.gz QHTDYUBQMAPGHK-UHFFFAOYSA-N 0 3 372.538 3.453 40 0 FGABHN COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccncc3)c2C)C1=O ZINC000409147054 570732071 /nfs/dbraw/zinc/73/20/71/570732071.db2.gz UOGWEPHAAVKYOZ-LFIBNONCSA-N 0 3 357.435 3.172 40 0 FGABHN CN(C)CCNc1nc(Nc2c(Cl)cccc2Cl)cc(C2CC2)n1 ZINC000328990969 210128602 /nfs/dbraw/zinc/12/86/02/210128602.db2.gz IRDOUQPMMAHOHO-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN COc1cccc(-c2ccc3nc([C@H]4CCCN(C)C4)nn3c2)c1OC ZINC000306134119 210053850 /nfs/dbraw/zinc/05/38/50/210053850.db2.gz NDXBGJLOJVZUEA-HNNXBMFYSA-N 0 3 352.438 3.223 40 0 FGABHN CN(C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccccc1)c1ccccc1 ZINC000008635698 291068992 /nfs/dbraw/zinc/06/89/92/291068992.db2.gz GZDBUPRMPUGVRU-JAXLGGSGSA-N 0 3 363.505 3.263 40 0 biogenic,in-vitro FGABHN COCC(=O)N1CCC[C@@H](c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1 ZINC000257260402 223041870 /nfs/dbraw/zinc/04/18/70/223041870.db2.gz LCSARBOCYCAMLR-MRXNPFEDSA-N 0 3 369.465 3.495 40 0 FGABHN Cc1ncccc1C(=O)N1CCN(C)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257262611 223042673 /nfs/dbraw/zinc/04/26/73/223042673.db2.gz LMCKCMTZCBBUIU-SFHVURJKSA-N 0 3 374.488 3.185 40 0 FGABHN COc1cccc(CCNCc2cc3ccc(C)c(C)c3[nH]c2=O)c1OC ZINC000013998808 220101436 /nfs/dbraw/zinc/10/14/36/220101436.db2.gz ZDERSEBJDOSCIB-UHFFFAOYSA-N 0 3 366.461 3.494 40 0 FGABHN COc1cc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc(OC)c1OC ZINC000019789478 211256013 /nfs/dbraw/zinc/25/60/13/211256013.db2.gz LZSQOPTVZODGAM-JQHSSLGASA-N 0 3 360.498 3.019 40 0 FGABHN CCN(C(=O)CCc1nc2cc(Cl)ccc2n1C)C1CCN(C)CC1 ZINC000019663185 211244298 /nfs/dbraw/zinc/24/42/98/211244298.db2.gz OWGVJCLKGKJZTG-UHFFFAOYSA-N 0 3 362.905 3.102 40 0 FGABHN COc1ccc(-c2cc(C(=O)NC(C)(C)CN3CCCCC3)[nH]n2)cc1 ZINC000019660067 211243084 /nfs/dbraw/zinc/24/30/84/211243084.db2.gz AYXHDRFSVYEDAJ-UHFFFAOYSA-N 0 3 356.470 3.080 40 0 FGABHN CCOc1cc(CN2CCC[C@@H](c3nc(C)c(C)c(=O)[nH]3)C2)ccc1OC ZINC000019531990 211231732 /nfs/dbraw/zinc/23/17/32/211231732.db2.gz UGDLQTLXGZAOKX-QGZVFWFLSA-N 0 3 371.481 3.174 40 0 FGABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3Cl)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372793 211218114 /nfs/dbraw/zinc/21/81/14/211218114.db2.gz KKZOXUZTTJUWMY-SLFFLAALSA-N 0 3 356.897 3.202 40 0 FGABHN Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360754 211128884 /nfs/dbraw/zinc/12/88/84/211128884.db2.gz IHGPHORQJROUNL-UHFFFAOYSA-N 0 3 358.507 3.459 40 0 FGABHN Cc1ncsc1CN1CCC2(C[C@H](OCc3ccccn3)CO2)CC1 ZINC000096106916 222026899 /nfs/dbraw/zinc/02/68/99/222026899.db2.gz SSJUWPDEXGHNOK-KRWDZBQOSA-N 0 3 359.495 3.187 40 0 FGABHN Fc1ccc(CN2CC[C@@H](N3CCOCC3)[C@@H]2Cc2ccccc2)cc1 ZINC000096061688 222009285 /nfs/dbraw/zinc/00/92/85/222009285.db2.gz PQUVZUVKJBEURS-YADHBBJMSA-N 0 3 354.469 3.344 40 0 FGABHN FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1cnccn1)C2 ZINC000096239716 222095662 /nfs/dbraw/zinc/09/56/62/222095662.db2.gz YZVHGELZTMMANG-MRXNPFEDSA-N 0 3 350.438 3.276 40 0 FGABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261534 222104511 /nfs/dbraw/zinc/10/45/11/222104511.db2.gz DQZARUSHUNIJRR-SLYNCCJLSA-N 0 3 357.473 3.323 40 0 FGABHN Cc1noc(C)c1CN1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC000096199644 222073542 /nfs/dbraw/zinc/07/35/42/222073542.db2.gz YCDQWQSYZRLAMU-LJQANCHMSA-N 0 3 353.466 3.272 40 0 FGABHN Cc1cnc(N[C@@H]2CCO[C@]3(CCN(Cc4ccc(F)cc4)C3)C2)nc1 ZINC000096209364 222079545 /nfs/dbraw/zinc/07/95/45/222079545.db2.gz RZSBPWUOOOHLAW-UYAOXDASSA-N 0 3 356.445 3.160 40 0 FGABHN c1ccc(CN2CCC3(CO[C@H](COCc4cccnc4)C3)CC2)nc1 ZINC000096209573 222079840 /nfs/dbraw/zinc/07/98/40/222079840.db2.gz SXSRCJUVJQRLEH-FQEVSTJZSA-N 0 3 353.466 3.065 40 0 FGABHN O=C(c1cscn1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216314 222081137 /nfs/dbraw/zinc/08/11/37/222081137.db2.gz CDPOYEQXXBJFPT-HXUWFJFHSA-N 0 3 371.506 3.150 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C ZINC000100687660 222248913 /nfs/dbraw/zinc/24/89/13/222248913.db2.gz GSVRWQBJGISZPS-KSZLIROESA-N 0 3 358.530 3.228 40 0 FGABHN COc1ccccc1CNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848831 494118884 /nfs/dbraw/zinc/11/88/84/494118884.db2.gz IOPQCAYVCUPLIS-GOSISDBHSA-N 0 3 356.441 3.363 40 0 FGABHN CC[C@@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000012239751 494216819 /nfs/dbraw/zinc/21/68/19/494216819.db2.gz UNLNUGQZZZJTIM-INIZCTEOSA-N 0 3 358.511 3.128 40 0 FGABHN CCCN1C[C@H](NC(=O)c2ccccc2F)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364761 494226492 /nfs/dbraw/zinc/22/64/92/494226492.db2.gz YEYKTJWRJKLYJR-QUCCMNQESA-N 0 3 356.441 3.442 40 0 FGABHN COc1ccc(CN2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC000096048177 494999423 /nfs/dbraw/zinc/99/94/23/494999423.db2.gz FBXOGMWKFXCVMG-LJQANCHMSA-N 0 3 372.509 3.079 40 0 FGABHN CN(C)C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248120877 496956457 /nfs/dbraw/zinc/95/64/57/496956457.db2.gz NAEJXMMVDFNIBM-OAHLLOKOSA-N 0 3 358.829 3.041 40 0 FGABHN CCOC[C@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461151 497002409 /nfs/dbraw/zinc/00/24/09/497002409.db2.gz GENZUWQEDZYTAD-QHAWAJNXSA-N 0 3 373.518 3.225 40 0 FGABHN CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)COC)cc1 ZINC000218519679 497003155 /nfs/dbraw/zinc/00/31/55/497003155.db2.gz LIOYCOABXWMXEA-ACRUOGEOSA-N 0 3 373.518 3.089 40 0 FGABHN Cc1cccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)n1 ZINC000225773849 497075234 /nfs/dbraw/zinc/07/52/34/497075234.db2.gz XUWBLHKDCNHEHL-UHFFFAOYSA-N 0 3 370.522 3.350 40 0 FGABHN CCn1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)cn1 ZINC000585103663 507570928 /nfs/dbraw/zinc/57/09/28/507570928.db2.gz CLVBYBOEHFDWNX-IBGZPJMESA-N 0 3 370.497 3.138 40 0 FGABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@@H](O)COCc3ccccc3)cc2c1 ZINC000585294757 507587918 /nfs/dbraw/zinc/58/79/18/507587918.db2.gz JGMYDNHQMMRVKV-HXUWFJFHSA-N 0 3 366.461 3.225 40 0 FGABHN O=C(Nc1nccs1)c1cccc([C@H]2CCCN2CC2CCOCC2)n1 ZINC000257224073 534476575 /nfs/dbraw/zinc/47/65/75/534476575.db2.gz FAFBHTKRGLDNCG-QGZVFWFLSA-N 0 3 372.494 3.354 40 0 FGABHN Cc1cccc(C(=O)N2CCN(C)C[C@H](Cc3ccc4ncccc4c3)C2)n1 ZINC000257249853 534594427 /nfs/dbraw/zinc/59/44/27/534594427.db2.gz JJZYCXADESXXDG-IBGZPJMESA-N 0 3 374.488 3.185 40 0 FGABHN COc1cc(C=O)ccc1OCCCCN1CCN(c2ccccc2)CC1 ZINC000217798173 522313479 /nfs/dbraw/zinc/31/34/79/522313479.db2.gz FIIJVXZFWWSJEF-UHFFFAOYSA-N 0 3 368.477 3.489 40 0 FGABHN CCCCc1nc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)c[nH]1 ZINC000257287166 529039587 /nfs/dbraw/zinc/03/95/87/529039587.db2.gz POUDSDXZAKULEA-GOSISDBHSA-N 0 3 356.518 3.249 40 0 FGABHN CCCCc1ncc(CN2CCC[C@@H]2c2nc(C)ncc2CN(C)C)[nH]1 ZINC000257287166 529039590 /nfs/dbraw/zinc/03/95/90/529039590.db2.gz POUDSDXZAKULEA-GOSISDBHSA-N 0 3 356.518 3.249 40 0 FGABHN c1coc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128898 223108712 /nfs/dbraw/zinc/10/87/12/223108712.db2.gz HNWSOQOBUNAJEE-INIZCTEOSA-N 0 3 351.454 3.302 40 0 FGABHN c1ccc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133189 223109826 /nfs/dbraw/zinc/10/98/26/223109826.db2.gz MEPIFNKOSHINJH-GOSISDBHSA-N 0 3 356.433 3.176 40 0 FGABHN Cc1cccc(CN2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)c1 ZINC000306136838 223111891 /nfs/dbraw/zinc/11/18/91/223111891.db2.gz QESXKJZYWIOCPZ-UHFFFAOYSA-N 0 3 356.491 3.266 40 0 FGABHN CN(C)CCNc1nc(Nc2cc(Cl)cc(Cl)c2)cc(C2CC2)n1 ZINC000329023054 223129604 /nfs/dbraw/zinc/12/96/04/223129604.db2.gz ORKPARRKEJXVJY-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN Cc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019209768 220238645 /nfs/dbraw/zinc/23/86/45/220238645.db2.gz LOAVMWWRQVILCB-FQEVSTJZSA-N 0 3 364.493 3.069 40 0 FGABHN Cc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(Cn2ccc4ccncc42)C3)o1 ZINC000019216546 220241886 /nfs/dbraw/zinc/24/18/86/220241886.db2.gz IFCMGXMOBGQBHP-HTZLVSCSSA-N 0 3 351.450 3.496 40 0 FGABHN CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccn3)CC[C@H]21 ZINC000019499204 220262575 /nfs/dbraw/zinc/26/25/75/220262575.db2.gz LIRMKHKGGTUWGX-NJDAHSKKSA-N 0 3 367.468 3.447 40 0 FGABHN CCCc1ccc(CN2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)s1 ZINC000019525491 220265726 /nfs/dbraw/zinc/26/57/26/220265726.db2.gz CVLLCRGFFGJXOT-UHFFFAOYSA-N 0 3 366.490 3.404 40 0 FGABHN CN(C(=O)c1ccncc1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586672 220278201 /nfs/dbraw/zinc/27/82/01/220278201.db2.gz FGBAIYHKMKQJPN-UHFFFAOYSA-N 0 3 351.450 3.017 40 0 FGABHN CNc1cc([C@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)ccn1 ZINC000257225064 533055201 /nfs/dbraw/zinc/05/52/01/533055201.db2.gz FERHUDWIFPXEMW-IBGZPJMESA-N 0 3 352.482 3.205 40 0 FGABHN Clc1ccc(-c2cnc3n2C[C@H](CNCc2cccnc2)OC3)cc1 ZINC000096112929 222030917 /nfs/dbraw/zinc/03/09/17/222030917.db2.gz WZQRNBASCBVSEF-KRWDZBQOSA-N 0 3 354.841 3.287 40 0 biogenic,in-vitro FGABHN CN(C)C(=O)[C@@H]1OC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096058370 222007725 /nfs/dbraw/zinc/00/77/25/222007725.db2.gz RKNNJAQLWQRLNN-GOSISDBHSA-N 0 3 356.491 3.399 40 0 FGABHN Cn1cc(CNC2CCC3(CCC(=O)N3Cc3ccccc3)CC2)cn1 ZINC000096075883 222013959 /nfs/dbraw/zinc/01/39/59/222013959.db2.gz ATBXHHGKFHRJSM-UHFFFAOYSA-N 0 3 352.482 3.014 40 0 FGABHN CN(C)CCNC(=O)c1cc(-c2ccn(-c3ccccc3)n2)n2ccccc12 ZINC000096154751 222057175 /nfs/dbraw/zinc/05/71/75/222057175.db2.gz HQVJCZGCPXUFOR-UHFFFAOYSA-N 0 3 373.460 3.083 40 0 FGABHN Cc1ccc(CN2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228839 222392630 /nfs/dbraw/zinc/39/26/30/222392630.db2.gz USTHHVVYJDPNIW-APWZRJJASA-N 0 3 358.511 3.106 40 0 FGABHN CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCC(N)=O ZINC000007537942 263351730 /nfs/dbraw/zinc/35/17/30/263351730.db2.gz TVUAQBRNRZGBAD-UHFFFAOYSA-N 0 3 362.857 3.201 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccccc1Cl ZINC000010544236 263366265 /nfs/dbraw/zinc/36/62/65/263366265.db2.gz PUSGNZCDJAHWOM-MRXNPFEDSA-N 0 3 358.935 3.414 40 0 FGABHN COc1ccc2[nH]c([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 ZINC000035446777 494077840 /nfs/dbraw/zinc/07/78/40/494077840.db2.gz YXFJSQFHWDDYCH-AWEZNQCLSA-N 0 3 351.406 3.290 40 0 biogenic,in-vitro FGABHN CCCC[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072341106 494154823 /nfs/dbraw/zinc/15/48/23/494154823.db2.gz ZKOOZQHMIWXUNW-MMOPVJDHSA-N 0 3 359.466 3.351 40 0 FGABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC(C)C)on3)C2)c1 ZINC000072352764 494156047 /nfs/dbraw/zinc/15/60/47/494156047.db2.gz JPYSKCHWARBEBK-MRXNPFEDSA-N 0 3 357.454 3.201 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544239 494156839 /nfs/dbraw/zinc/15/68/39/494156839.db2.gz IPSCAOJXRDDLQJ-KRWDZBQOSA-N 0 3 358.935 3.414 40 0 FGABHN COC[C@H](C)NCc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186380 494211182 /nfs/dbraw/zinc/21/11/82/494211182.db2.gz LPYMURKDLVPLEE-AWEZNQCLSA-N 0 3 368.481 3.136 40 0 FGABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329272 494225445 /nfs/dbraw/zinc/22/54/45/494225445.db2.gz XFDAIEMYKLXDJO-RBUKOAKNSA-N 0 3 357.425 3.210 40 0 FGABHN Cc1nc(C2CCN(C(C)C)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766583 494459533 /nfs/dbraw/zinc/45/95/33/494459533.db2.gz DDLLPUYNIQAYEE-UHFFFAOYSA-N 0 3 370.472 3.442 40 0 FGABHN COc1ccc(CN2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cc1 ZINC000107730593 494591578 /nfs/dbraw/zinc/59/15/78/494591578.db2.gz NVMMFSJYEGPZKD-NHCUHLMSSA-N 0 3 354.450 3.293 40 0 FGABHN Cc1ccc(F)c(CN2CCC3(CC(NC(=O)c4ccncc4)C3)C2)c1 ZINC000108526825 494729279 /nfs/dbraw/zinc/72/92/79/494729279.db2.gz UYZIDYRUIKVRMT-UHFFFAOYSA-N 0 3 353.441 3.314 40 0 FGABHN Cc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096043069 494998888 /nfs/dbraw/zinc/99/88/88/494998888.db2.gz WYJXDRQOHOWFQC-FFZOFVMBSA-N 0 3 351.450 3.008 40 0 FGABHN O=S(=O)(Cc1ccccc1F)NCc1ccccc1CN1CCCC1 ZINC000170657224 495548880 /nfs/dbraw/zinc/54/88/80/495548880.db2.gz PECOHZHXGOMIDI-UHFFFAOYSA-N 0 3 362.470 3.041 40 0 FGABHN COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000247817673 496918699 /nfs/dbraw/zinc/91/86/99/496918699.db2.gz CBBXAILFQKMCBY-QGZVFWFLSA-N 0 3 374.506 3.342 40 0 FGABHN COC[C@H]1CN(C(C)=O)CC12CCN(Cc1ccccc1Cl)CC2 ZINC000247929398 496929349 /nfs/dbraw/zinc/92/93/49/496929349.db2.gz JHRSSAPXQWNSQC-QGZVFWFLSA-N 0 3 350.890 3.047 40 0 FGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223262559 497033992 /nfs/dbraw/zinc/03/39/92/497033992.db2.gz XJTSCTYIYWHIQW-ZWKOTPCHSA-N 0 3 371.554 3.172 40 0 FGABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)COC)cc1 ZINC000242548298 497354799 /nfs/dbraw/zinc/35/47/99/497354799.db2.gz LIOYCOABXWMXEA-NJDAHSKKSA-N 0 3 373.518 3.089 40 0 FGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccc(F)cc3)n[nH]1)C2 ZINC000257235059 497393262 /nfs/dbraw/zinc/39/32/62/497393262.db2.gz GWGBAFLZTYPUEZ-RMYQPGKMSA-N 0 3 368.456 3.303 40 0 FGABHN CCN(CC)CCCN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000575422855 505975456 /nfs/dbraw/zinc/97/54/56/505975456.db2.gz WVYSWGLYGSLZHY-QGZVFWFLSA-N 0 3 372.962 3.061 40 0 FGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(Cc3ccsc3)C2)OC1 ZINC000585103243 507567471 /nfs/dbraw/zinc/56/74/71/507567471.db2.gz AJWQFMKKRHWCKN-GOSISDBHSA-N 0 3 357.523 3.256 40 0 FGABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccc(C)cc1)CC2 ZINC000585103195 507568084 /nfs/dbraw/zinc/56/80/84/507568084.db2.gz MQRFQEVDHAEMPJ-JOCHJYFZSA-N 0 3 370.537 3.482 40 0 FGABHN Cc1cncc(C(=O)N2CCN(C)C[C@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000585261162 507579802 /nfs/dbraw/zinc/57/98/02/507579802.db2.gz VZMYIMDXXCODRY-IBGZPJMESA-N 0 3 374.488 3.185 40 0 FGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccccc1Cl ZINC000585292822 507586592 /nfs/dbraw/zinc/58/65/92/507586592.db2.gz OQHWFOOQCBCBQC-KBAYOESNSA-N 0 3 352.261 3.315 40 0 FGABHN Cc1ccc(C)c2[nH]c(=O)c(CNC[C@H](O)COCc3ccccc3)cc12 ZINC000585293451 507586726 /nfs/dbraw/zinc/58/67/26/507586726.db2.gz XEASAIAWLXPBHI-IBGZPJMESA-N 0 3 366.461 3.225 40 0 FGABHN Cc1c(CN2CC[C@@]3(CCCO3)[C@@H](OCc3ccccc3)C2)cnn1C ZINC000257318274 533846909 /nfs/dbraw/zinc/84/69/09/533846909.db2.gz VNFIBHCWXGZHPT-SFTDATJTSA-N 0 3 355.482 3.069 40 0 FGABHN c1cc2nccc(C3CCN(Cc4c[nH]nc4-c4ccccc4)CC3)n2n1 ZINC000257342828 534479729 /nfs/dbraw/zinc/47/97/29/534479729.db2.gz ZQHZNAAJLUTRGL-UHFFFAOYSA-N 0 3 358.449 3.499 40 0 FGABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514289954 560030995 /nfs/dbraw/zinc/03/09/95/560030995.db2.gz QBUAPJLGNFOOLO-IRFCIJBXSA-N 0 3 370.518 3.455 40 0 biogenic,in-vitro FGABHN Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2CC2CCOCC2)n1 ZINC000257277393 223048109 /nfs/dbraw/zinc/04/81/09/223048109.db2.gz NXUHJOPBLDAGCK-SFHVURJKSA-N 0 3 368.485 3.272 40 0 FGABHN Cc1c[nH]c(-c2nccnc2C[C@H]2CCCN(Cc3cncs3)C2)n1 ZINC000257336617 223071186 /nfs/dbraw/zinc/07/11/86/223071186.db2.gz YPFRSBKNIQWTGE-CQSZACIVSA-N 0 3 354.483 3.086 40 0 FGABHN CN(C)CCNc1nc(Nc2cc(Cl)ccc2Cl)cc(C2CC2)n1 ZINC000328991033 223128612 /nfs/dbraw/zinc/12/86/12/223128612.db2.gz IRTVGBMYVNTURC-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN Cc1ccc(O[C@@H](C)C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)cc1C ZINC000019214103 220239598 /nfs/dbraw/zinc/23/95/98/220239598.db2.gz BEHWTJNHLGZWKZ-GHTZIAJQSA-N 0 3 374.525 3.173 40 0 FGABHN O=C(c1cc2c(s1)CCCC2)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019292482 220247303 /nfs/dbraw/zinc/24/73/03/220247303.db2.gz LAXNKQWXILVKNU-INIZCTEOSA-N 0 3 368.506 3.040 40 0 FGABHN Clc1ccc(CN2CCC[C@@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019341553 220251486 /nfs/dbraw/zinc/25/14/86/220251486.db2.gz SNJCSECZZHFTON-MRXNPFEDSA-N 0 3 368.872 3.301 40 0 FGABHN c1ccc2nc(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)ccc2c1 ZINC000019376323 220256293 /nfs/dbraw/zinc/25/62/93/220256293.db2.gz DWCCKISVQZJQGW-UHFFFAOYSA-N 0 3 372.432 3.454 40 0 FGABHN CCOc1ccccc1CN1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520175 220265536 /nfs/dbraw/zinc/26/55/36/220265536.db2.gz XNIAJWKRFYIBOY-MRXNPFEDSA-N 0 3 365.481 3.398 40 0 FGABHN COc1ccc2[nH]cc([C@H](O)CN3CCC(Oc4cccnc4)CC3)c2c1 ZINC000019563200 220274403 /nfs/dbraw/zinc/27/44/03/220274403.db2.gz LCKRSAVATGYXHN-OAQYLSRUSA-N 0 3 367.449 3.148 40 0 FGABHN COc1nc(N(C)C)sc1-c1cncn1Cc1ccc(CN(C)C)cc1 ZINC000019720027 220292604 /nfs/dbraw/zinc/29/26/04/220292604.db2.gz ONTSIMZQZCFRHL-UHFFFAOYSA-N 0 3 371.510 3.191 40 0 FGABHN CCOC(=O)c1sc(N2CCNCC2)nc1-c1cccc(Cl)c1 ZINC000021986857 220372348 /nfs/dbraw/zinc/37/23/48/220372348.db2.gz KSGYSCLRTCFYJD-UHFFFAOYSA-N 0 3 351.859 3.050 40 0 FGABHN CC1(C)S[C@H](CN)N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022796902 220398699 /nfs/dbraw/zinc/39/86/99/220398699.db2.gz VJDBJGIOWKYECA-SJLPKXTDSA-N 0 3 356.491 3.088 40 0 FGABHN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054586 222003230 /nfs/dbraw/zinc/00/32/30/222003230.db2.gz WNSPPFIOWBRUPQ-ILZDJORESA-N 0 3 353.466 3.356 40 0 FGABHN Cc1ccccc1CN1CC[C@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244097 222098124 /nfs/dbraw/zinc/09/81/24/222098124.db2.gz FVZIIJNLDISDRH-QFIPXVFZSA-N 0 3 364.493 3.281 40 0 FGABHN CC[C@@H](C)c1ccccc1OC[C@@H](O)CN(CCO)Cc1ccccc1 ZINC000002694433 493815367 /nfs/dbraw/zinc/81/53/67/493815367.db2.gz LUARTIXBNIEQLK-QUCCMNQESA-N 0 3 357.494 3.434 40 0 FGABHN O=C(CNCCN1CCCCC1)Nc1ccccc1N1CCCCCC1 ZINC000035311419 494074304 /nfs/dbraw/zinc/07/43/04/494074304.db2.gz WREFEPXJOXXCGC-UHFFFAOYSA-N 0 3 358.530 3.081 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC[C@H](n3c4ccccc4oc3=O)C2)cc1 ZINC000012119169 494205997 /nfs/dbraw/zinc/20/59/97/494205997.db2.gz GXYNGJFWIHXDHZ-SFHVURJKSA-N 0 3 365.433 3.390 40 0 FGABHN COc1ccc(CN2CCC3(CC2)OCCc2cnc(C)nc23)c(C)c1C ZINC000012337916 494225158 /nfs/dbraw/zinc/22/51/58/494225158.db2.gz PYKXHVLQTRCBMB-UHFFFAOYSA-N 0 3 367.493 3.474 40 0 FGABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000012362865 494226774 /nfs/dbraw/zinc/22/67/74/494226774.db2.gz PBQMBPGRBSCSFT-INIZCTEOSA-N 0 3 361.486 3.482 40 0 FGABHN COc1ccc(OC[C@H](C)NCc2cnc(N3CCC(C)CC3)nc2)cc1 ZINC000019497093 494446196 /nfs/dbraw/zinc/44/61/96/494446196.db2.gz GIPXDTKLMCBXGH-KRWDZBQOSA-N 0 3 370.497 3.279 40 0 FGABHN CN1CCCCC[C@@H]2[C@@H]1C[C@@H](Cc1ccccc1)N2C(=O)c1cnccn1 ZINC000019712872 494456395 /nfs/dbraw/zinc/45/63/95/494456395.db2.gz VHJNRLPHCSUMIP-NRSPTQNISA-N 0 3 364.493 3.177 40 0 FGABHN CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@H]2CCCN2)n1 ZINC000019759956 494460478 /nfs/dbraw/zinc/46/04/78/494460478.db2.gz KDOYBQVJEUSBEL-LJQANCHMSA-N 0 3 362.481 3.123 40 0 FGABHN Cc1ncc(CN2CCC3(CC(=O)N(Cc4cccc(C)c4)C3)CC2)[nH]1 ZINC000108524789 494730315 /nfs/dbraw/zinc/73/03/15/494730315.db2.gz UHJIZBNWVGKSDL-UHFFFAOYSA-N 0 3 352.482 3.041 40 0 FGABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048074 494998740 /nfs/dbraw/zinc/99/87/40/494998740.db2.gz ZSEFMFNQHRMMOY-LJQANCHMSA-N 0 3 357.523 3.399 40 0 FGABHN COC[C@@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000247846095 496919926 /nfs/dbraw/zinc/91/99/26/496919926.db2.gz MRMGBLFDEDGTFB-INIZCTEOSA-N 0 3 374.506 3.342 40 0 FGABHN O[C@]1(c2ccccc2)CCN(Cc2cccc(OC[C@H]3CCCO3)c2)C1 ZINC000247957509 496932360 /nfs/dbraw/zinc/93/23/60/496932360.db2.gz OGKGTIPNROVSPT-FGZHOGPDSA-N 0 3 353.462 3.338 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105301 497032042 /nfs/dbraw/zinc/03/20/42/497032042.db2.gz HWXHNPLGQGSSIA-QGZVFWFLSA-N 0 3 368.543 3.245 40 0 FGABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccncc3)cc2)CC1 ZINC000225775362 497074864 /nfs/dbraw/zinc/07/48/64/497074864.db2.gz ZQKIQBTWXOQPGA-UHFFFAOYSA-N 0 3 356.495 3.041 40 0 FGABHN CC(C)CN1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102075 507568295 /nfs/dbraw/zinc/56/82/95/507568295.db2.gz QIMCHCZMGAOITE-KRWDZBQOSA-N 0 3 355.404 3.437 40 0 FGABHN CC1(C)CCC(N2CCOC[C@@](O)(COc3cccc(F)c3)C2)CC1 ZINC000585282009 507583903 /nfs/dbraw/zinc/58/39/03/507583903.db2.gz FLTUQLAQFWJRNJ-HXUWFJFHSA-N 0 3 351.462 3.237 40 0 FGABHN CN(C)C/C=C/C(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 ZINC000585292458 507586951 /nfs/dbraw/zinc/58/69/51/507586951.db2.gz MWGWFIPVOATJIK-PPYMECGQSA-N 0 3 357.483 3.063 40 0 FGABHN Cc1cc(C)c2[nH]c(=O)c(CNC[C@H](O)COCc3ccccc3)cc2c1 ZINC000585294756 507588314 /nfs/dbraw/zinc/58/83/14/507588314.db2.gz JGMYDNHQMMRVKV-FQEVSTJZSA-N 0 3 366.461 3.225 40 0 FGABHN Cc1cc(CN(C)C(=O)c2ncccc2-c2cccc(CN(C)C)c2)no1 ZINC000257292775 534165265 /nfs/dbraw/zinc/16/52/65/534165265.db2.gz QMXZIUSSMTZNEG-UHFFFAOYSA-N 0 3 364.449 3.379 40 0 FGABHN CCc1cnc(N2CCC3(CCCN(Cc4ccccn4)C3)CC2)nc1 ZINC000096158495 536057483 /nfs/dbraw/zinc/05/74/83/536057483.db2.gz IDBHBQHSAWNDOU-UHFFFAOYSA-N 0 3 351.498 3.317 40 0 FGABHN CC(C)CN1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 ZINC000514289911 560031337 /nfs/dbraw/zinc/03/13/37/560031337.db2.gz PXMJKDSERMPDQW-GOSISDBHSA-N 0 3 363.933 3.217 40 0 biogenic,in-vitro FGABHN Cc1ncsc1CN1CCC(c2cncc(-c3nccn3C)n2)CC1 ZINC000257210289 223019946 /nfs/dbraw/zinc/01/99/46/223019946.db2.gz BTZIWPDVETYIAP-UHFFFAOYSA-N 0 3 354.483 3.022 40 0 FGABHN O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 ZINC000019293374 220245913 /nfs/dbraw/zinc/24/59/13/220245913.db2.gz SCDOQOASCLOOLX-SFHVURJKSA-N 0 3 370.884 3.072 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286351 220246610 /nfs/dbraw/zinc/24/66/10/220246610.db2.gz SHKSJFUSVLTJGE-CABCVRRESA-N 0 3 363.383 3.229 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000019286351 220246613 /nfs/dbraw/zinc/24/66/13/220246613.db2.gz SHKSJFUSVLTJGE-CABCVRRESA-N 0 3 363.383 3.229 40 0 FGABHN Fc1ccccc1CN1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019348977 220253012 /nfs/dbraw/zinc/25/30/12/220253012.db2.gz JSVVPJGMTBTDQO-VNQPRFMTSA-N 0 3 365.403 3.320 40 0 FGABHN CCc1nccn1CC1(O)CCN(Cc2ccccc2N2CCCC2)CC1 ZINC000019523624 220265262 /nfs/dbraw/zinc/26/52/62/220265262.db2.gz HIZXMHWFRONMER-UHFFFAOYSA-N 0 3 368.525 3.073 40 0 FGABHN CCOc1ccc(CN2CCc3nc([C@@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019533364 220268860 /nfs/dbraw/zinc/26/88/60/220268860.db2.gz CZLCWJHWNNONNS-GOSISDBHSA-N 0 3 366.509 3.243 40 0 FGABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2)CC1 ZINC000020112494 220312403 /nfs/dbraw/zinc/31/24/03/220312403.db2.gz FVOBDOUPNAXMFA-UHFFFAOYSA-N 0 3 351.450 3.270 40 0 FGABHN Cc1ncsc1CN1CCC2(CCOC[C@@H]2COCC2CC2)CC1 ZINC000096106488 222025462 /nfs/dbraw/zinc/02/54/62/222025462.db2.gz CQEZNNWGLJZPMO-QGZVFWFLSA-N 0 3 350.528 3.497 40 0 FGABHN Cc1ncsc1CN1CCC2(CO[C@@H](COc3ccccn3)C2)CC1 ZINC000096110799 222028029 /nfs/dbraw/zinc/02/80/29/222028029.db2.gz IRVDQCPYKIDOGX-MRXNPFEDSA-N 0 3 359.495 3.297 40 0 FGABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096051807 222003798 /nfs/dbraw/zinc/00/37/98/222003798.db2.gz DYZRYNJQBNHWID-LJQANCHMSA-N 0 3 370.472 3.123 40 0 FGABHN O=C(C[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)Nc1cccnc1 ZINC000096206494 222075984 /nfs/dbraw/zinc/07/59/84/222075984.db2.gz HUPFGFPTROPFFA-KBAYOESNSA-N 0 3 357.479 3.009 40 0 FGABHN Cc1ccc(CN2CCC3(CCOC[C@H]3NC(=O)C(C)C)CC2)s1 ZINC000096209795 222080133 /nfs/dbraw/zinc/08/01/33/222080133.db2.gz LWEHJGHBTTYPKJ-QGZVFWFLSA-N 0 3 350.528 3.200 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C ZINC000100687659 222249067 /nfs/dbraw/zinc/24/90/67/222249067.db2.gz GSVRWQBJGISZPS-FGTMMUONSA-N 0 3 358.530 3.228 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1cc(C)ccc1C ZINC000006382263 493961389 /nfs/dbraw/zinc/96/13/89/493961389.db2.gz ZHWURNQSWYLVPL-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1ccc(CN2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000072351247 494155756 /nfs/dbraw/zinc/15/57/56/494155756.db2.gz UDEXLYOZJNLNRK-INIZCTEOSA-N 0 3 357.454 3.196 40 0 FGABHN CCOc1ccc(CN2CCC[C@H](c3[nH]nc4nccnc43)C2)cc1OC ZINC000072393832 494163839 /nfs/dbraw/zinc/16/38/39/494163839.db2.gz UPOWTLCMBJAVMZ-HNNXBMFYSA-N 0 3 367.453 3.140 40 0 FGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)c1 ZINC000012329990 494225483 /nfs/dbraw/zinc/22/54/83/494225483.db2.gz QRNVFCBDGINPCI-WOJBJXKFSA-N 0 3 369.461 3.079 40 0 FGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329872 494225520 /nfs/dbraw/zinc/22/55/20/494225520.db2.gz SJKPVXRWVPWKOM-WOJBJXKFSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3ccncc3)C2)CC1 ZINC000108530395 494731352 /nfs/dbraw/zinc/73/13/52/494731352.db2.gz QXBBABJMXCJOJD-UHFFFAOYSA-N 0 3 356.495 3.021 40 0 FGABHN Cc1cccnc1CN1CC[C@]2(CCC[C@@H]2C(=O)NCc2ccco2)C1 ZINC000108532679 494731479 /nfs/dbraw/zinc/73/14/79/494731479.db2.gz XBLOLYDHAVFJGW-WIYYLYMNSA-N 0 3 353.466 3.292 40 0 FGABHN Cc1cc(C(=O)N2CCC3(C2)CCN(Cc2cccc(F)c2)CC3)no1 ZINC000096046632 494999004 /nfs/dbraw/zinc/99/90/04/494999004.db2.gz DEIURBCCFWBUHO-UHFFFAOYSA-N 0 3 357.429 3.250 40 0 FGABHN CN1CCN(CCNc2c3ccc(Cl)cc3nc3c2CCCC3)CC1 ZINC000142668923 495517821 /nfs/dbraw/zinc/51/78/21/495517821.db2.gz AKZZUONQDIGIBX-UHFFFAOYSA-N 0 3 358.917 3.426 40 0 in-vitro FGABHN O=C(c1cc2ccccc2s1)N1Cc2ccnn2[C@@H](CN2CCCC2)C1 ZINC000247939644 496930230 /nfs/dbraw/zinc/93/02/30/496930230.db2.gz PEJMRVCEPWRZBI-KRWDZBQOSA-N 0 3 366.490 3.391 40 0 FGABHN O=C(NCCOCc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553032 497050111 /nfs/dbraw/zinc/05/01/11/497050111.db2.gz ZIQSUDWIRHPKEO-UHFFFAOYSA-N 0 3 370.468 3.371 40 0 FGABHN COc1cccc(NC(=S)NCCCN2CCc3ccccc3C2)c1 ZINC000225742435 497073670 /nfs/dbraw/zinc/07/36/70/497073670.db2.gz IGQVNPHLHHWEBM-UHFFFAOYSA-N 0 3 355.507 3.430 40 0 FGABHN CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@]2(CN)COC)cc1 ZINC000242548299 497354830 /nfs/dbraw/zinc/35/48/30/497354830.db2.gz LIOYCOABXWMXEA-QHAWAJNXSA-N 0 3 373.518 3.089 40 0 FGABHN Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4C[C@H]4CCCO4)C3)CC2)cc1 ZINC000585102050 507567657 /nfs/dbraw/zinc/56/76/57/507567657.db2.gz OPSRTHRDMXKSCO-IRLDBZIGSA-N 0 3 368.521 3.273 40 0 FGABHN CN1CCC(Oc2ccc(NS(=O)(=O)Cc3ccccc3)cc2)CC1 ZINC000078578795 523782320 /nfs/dbraw/zinc/78/23/20/523782320.db2.gz NQWRLTRDJRKFNM-UHFFFAOYSA-N 0 3 360.479 3.102 40 0 FGABHN CCOC[C@@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542369 222683419 /nfs/dbraw/zinc/68/34/19/222683419.db2.gz XFDUMIFOQNTHGJ-ACRUOGEOSA-N 0 3 373.518 3.170 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)c(C)c1 ZINC000001768929 219417883 /nfs/dbraw/zinc/41/78/83/219417883.db2.gz RCPDVOGPLYLOSK-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN C[C@]12CCN(Cc3ccccn3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257270345 223045085 /nfs/dbraw/zinc/04/50/85/223045085.db2.gz MTVFOMWLSXQESM-FPOVZHCZSA-N 0 3 353.441 3.376 40 0 FGABHN Cc1c[nH]c(-c2cncc(CC3CCN(Cc4scnc4C)CC3)n2)n1 ZINC000257313532 223061800 /nfs/dbraw/zinc/06/18/00/223061800.db2.gz UTAJAYVQPIMDSH-UHFFFAOYSA-N 0 3 368.510 3.395 40 0 FGABHN Cc1ccc([C@H](C)C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019136113 220237495 /nfs/dbraw/zinc/23/74/95/220237495.db2.gz WLSUASXLJKKMGQ-JXFKEZNVSA-N 0 3 364.493 3.288 40 0 FGABHN COc1cccc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)c1 ZINC000019236369 220243446 /nfs/dbraw/zinc/24/34/46/220243446.db2.gz ZZVWZCDTNDDWFF-SIKLNZKXSA-N 0 3 365.477 3.037 40 0 FGABHN Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239172 220243661 /nfs/dbraw/zinc/24/36/61/220243661.db2.gz YOHHGFGKWPEJQC-CYBMUJFWSA-N 0 3 357.364 3.103 40 0 FGABHN COc1cccc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c1OC ZINC000019237745 220243998 /nfs/dbraw/zinc/24/39/98/220243998.db2.gz ZNROLZVNIXJLQH-CECAUBDESA-N 0 3 368.477 3.137 40 0 FGABHN COc1ccc2[nH]c(CN3CCC(N4C[C@@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497376 220264563 /nfs/dbraw/zinc/26/45/63/220264563.db2.gz QXJUVXWLNPJYJH-IYBDPMFKSA-N 0 3 357.498 3.250 40 0 FGABHN CCCNC(=O)c1cc([C@@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 ZINC000019503687 220266958 /nfs/dbraw/zinc/26/69/58/220266958.db2.gz MZFMWSCBBSZFSR-MRXNPFEDSA-N 0 3 357.454 3.203 40 0 FGABHN COc1ccc2[nH]cc([C@@H](O)CN3CCC(Oc4cccnc4)CC3)c2c1 ZINC000019563198 220274286 /nfs/dbraw/zinc/27/42/86/220274286.db2.gz LCKRSAVATGYXHN-NRFANRHFSA-N 0 3 367.449 3.148 40 0 FGABHN CC(=O)NC1(c2ccccc2)CCN(Cc2c(C)nc3ccccn32)CC1 ZINC000019659051 220283536 /nfs/dbraw/zinc/28/35/36/220283536.db2.gz MDSKNXWAMLRLEK-UHFFFAOYSA-N 0 3 362.477 3.270 40 0 FGABHN CC(C)C[C@@H]1N[C@H](C(=O)N2CCC(CO)CC2)Cc2c[nH]c3cccc1c23 ZINC000049172037 221020672 /nfs/dbraw/zinc/02/06/72/221020672.db2.gz NTEWVIULYXVUIE-PMACEKPBSA-N 0 3 369.509 3.000 40 0 biogenic,in-vitro FGABHN c1ccc(N2CCC[C@@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000096216664 132222632 /nfs/dbraw/zinc/22/26/32/132222632.db2.gz FBDZKNIKHSGIFJ-NRFANRHFSA-N 0 3 351.450 3.303 40 0 FGABHN Cc1cnc(N2CCC3(C[C@@H](N(C)Cc4cccs4)CO3)CC2)nc1 ZINC000104950170 132238456 /nfs/dbraw/zinc/23/84/56/132238456.db2.gz RMNRYLLWPSADAR-MRXNPFEDSA-N 0 3 358.511 3.106 40 0 FGABHN Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3)C3(C2)CCOCC3)o1 ZINC000096052254 222003075 /nfs/dbraw/zinc/00/30/75/222003075.db2.gz DWALCSUBUOCBSC-IBGZPJMESA-N 0 3 354.450 3.455 40 0 FGABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544110 263366231 /nfs/dbraw/zinc/36/62/31/263366231.db2.gz BZMMVTJDAWGHQE-HUUCEWRRSA-N 0 3 358.935 3.127 40 0 FGABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544109 263366589 /nfs/dbraw/zinc/36/65/89/263366589.db2.gz BZMMVTJDAWGHQE-GJZGRUSLSA-N 0 3 358.935 3.127 40 0 FGABHN CN1CCC(N2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)CC1 ZINC000072322127 494151685 /nfs/dbraw/zinc/15/16/85/494151685.db2.gz HLZSCSSWWPAULH-SFHVURJKSA-N 0 3 360.889 3.198 40 0 biogenic,in-vitro FGABHN O[C@@H]1C[C@H](c2ccccc2)[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H]1O ZINC000072321869 494152055 /nfs/dbraw/zinc/15/20/55/494152055.db2.gz ABIGVQAHXVGLGA-BRSBDYLESA-N 0 3 351.368 3.073 40 0 biogenic,in-vitro FGABHN CCCC[C@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 ZINC000072341107 494155069 /nfs/dbraw/zinc/15/50/69/494155069.db2.gz ZKOOZQHMIWXUNW-PLMTUMEDSA-N 0 3 359.466 3.351 40 0 FGABHN OCCN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358379 494157650 /nfs/dbraw/zinc/15/76/50/494157650.db2.gz VWQZEFACGNHEGO-AWEZNQCLSA-N 0 3 351.372 3.334 40 0 FGABHN CC[C@@H](CN1CCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012362875 494226322 /nfs/dbraw/zinc/22/63/22/494226322.db2.gz IJHLHCXJCXRBJC-AWEZNQCLSA-N 0 3 361.486 3.482 40 0 FGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)c1 ZINC000012361306 494226727 /nfs/dbraw/zinc/22/67/27/494226727.db2.gz LOGIFICAZOISOG-UTKZUKDTSA-N 0 3 367.489 3.335 40 0 FGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OCC ZINC000095534497 494989593 /nfs/dbraw/zinc/98/95/93/494989593.db2.gz CQVYZWJGNAVSIZ-QGZVFWFLSA-N 0 3 356.401 3.456 40 0 FGABHN COc1ccc(CN2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1 ZINC000096048256 494999450 /nfs/dbraw/zinc/99/94/50/494999450.db2.gz NVMMFSJYEGPZKD-SFTDATJTSA-N 0 3 354.450 3.293 40 0 FGABHN OC1(COc2ccc(F)cc2)CCN(Cc2ccc3[nH]cnc3c2)CC1 ZINC000257216892 497391881 /nfs/dbraw/zinc/39/18/81/497391881.db2.gz CWNVQFGSGALQMH-UHFFFAOYSA-N 0 3 355.413 3.108 40 0 FGABHN OC1(COc2ccc(F)cc2)CCN(Cc2ccc3nc[nH]c3c2)CC1 ZINC000257216892 497391885 /nfs/dbraw/zinc/39/18/85/497391885.db2.gz CWNVQFGSGALQMH-UHFFFAOYSA-N 0 3 355.413 3.108 40 0 FGABHN Fc1ccccc1CN1CCC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257319884 497402283 /nfs/dbraw/zinc/40/22/83/497402283.db2.gz VULDZSNBYJEQOV-HNNXBMFYSA-N 0 3 351.429 3.461 40 0 FGABHN CN1CCC(n2ccc(=NC(=O)N3CCC[C@H]3c3ccsc3)[nH]2)CC1 ZINC000330208258 498061827 /nfs/dbraw/zinc/06/18/27/498061827.db2.gz GQIHUCJEASQOSC-INIZCTEOSA-N 0 3 359.499 3.002 40 0 FGABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585104772 507570403 /nfs/dbraw/zinc/57/04/03/507570403.db2.gz SYVLUUGAKWRDCG-QFIPXVFZSA-N 0 3 368.452 3.390 40 0 FGABHN Cc1cc(N)cc([C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)CCO2)n1 ZINC000257207257 533886916 /nfs/dbraw/zinc/88/69/16/533886916.db2.gz BHACINXDWYVONE-SFHVURJKSA-N 0 3 359.857 3.158 40 0 FGABHN CC(C)(C)OC(=O)N1CC(CNCc2ccccc2Br)C1 ZINC000090635722 518799374 /nfs/dbraw/zinc/79/93/74/518799374.db2.gz BMQYZOAIWQHYLJ-UHFFFAOYSA-N 0 3 355.276 3.406 40 0 FGABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000306144535 528938708 /nfs/dbraw/zinc/93/87/08/528938708.db2.gz ZICKSACICDLPPF-GOSISDBHSA-N 0 3 360.498 3.250 40 0 FGABHN Cc1c[nH]c(-c2cncc([C@@H]3CCCN(Cc4scnc4C)C3)n2)n1 ZINC000257221216 223026881 /nfs/dbraw/zinc/02/68/81/223026881.db2.gz DOAAOOCXFQYQSA-CQSZACIVSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1noc(C)c1-c1cc(C[C@H]2CCCN(Cc3cnc[nH]3)CC2)ncn1 ZINC000257277674 223047893 /nfs/dbraw/zinc/04/78/93/223047893.db2.gz NYYBKTCPRBJZCA-INIZCTEOSA-N 0 3 366.469 3.316 40 0 FGABHN C[C@]12CCN(Cc3cccnc3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257299174 223056761 /nfs/dbraw/zinc/05/67/61/223056761.db2.gz RPAHETPXDCQPDH-FPOVZHCZSA-N 0 3 353.441 3.376 40 0 FGABHN CN(C)CCNc1nc(Nc2cccc(Cl)c2Cl)cc(C2CC2)n1 ZINC000329007218 223128254 /nfs/dbraw/zinc/12/82/54/223128254.db2.gz LJDWOQOHCSUVHD-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000013670580 220082174 /nfs/dbraw/zinc/08/21/74/220082174.db2.gz DCGWLWZRVJNHLP-QGZVFWFLSA-N 0 3 358.935 3.414 40 0 FGABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccncc4)[C@@H]32)cc1 ZINC000019019381 220233988 /nfs/dbraw/zinc/23/39/88/220233988.db2.gz XJSJMTBGWRRSES-YPAWHYETSA-N 0 3 365.477 3.069 40 0 FGABHN COc1ccc(CN2Cc3cc(C)ccc3OC[C@H]2CN(C)C)cc1OC ZINC000019219371 220240746 /nfs/dbraw/zinc/24/07/46/220240746.db2.gz NWJVWYQYNGWAJP-LJQANCHMSA-N 0 3 370.493 3.337 40 0 FGABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(F)cc1 ZINC000019374905 220255758 /nfs/dbraw/zinc/25/57/58/220255758.db2.gz VSBHTGOEVXWQNB-OALUTQOASA-N 0 3 357.425 3.210 40 0 FGABHN CCCOc1ccccc1CN1CC[C@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019525160 220265751 /nfs/dbraw/zinc/26/57/51/220265751.db2.gz MEFMTJAGUGKYRE-INIZCTEOSA-N 0 3 365.437 3.305 40 0 FGABHN CNc1nc(C)c(C(=O)N2CCCC[C@H]2CN2CCCCCC2)s1 ZINC000019560890 220273365 /nfs/dbraw/zinc/27/33/65/220273365.db2.gz ABQDTQVKBKPYFY-HNNXBMFYSA-N 0 3 350.532 3.364 40 0 FGABHN Cc1cc(C)c(-n2cccn2)c(CN(CCN(C)C)Cc2ccccn2)c1 ZINC000019566874 220273169 /nfs/dbraw/zinc/27/31/69/220273169.db2.gz WWGROQLLZORRLM-UHFFFAOYSA-N 0 3 363.509 3.448 40 0 FGABHN C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000019575276 220276844 /nfs/dbraw/zinc/27/68/44/220276844.db2.gz OTXJAWDMHUKOCI-RBSFLKMASA-N 0 3 369.490 3.196 40 0 FGABHN Fc1cccc(-c2cnc3c(N4CCN(CC5CC5)CC4)nccn23)c1 ZINC000306130993 132301284 /nfs/dbraw/zinc/30/12/84/132301284.db2.gz JUEBSGLMTOWWTB-UHFFFAOYSA-N 0 3 351.429 3.067 40 0 FGABHN CC(C)c1cc(N2Cc3ccccc3CC2(C)C)nc(NCCN(C)C)n1 ZINC000329031343 132372868 /nfs/dbraw/zinc/37/28/68/132372868.db2.gz QISWLCAUFLWUCJ-UHFFFAOYSA-N 0 3 367.541 3.337 40 0 FGABHN O=C(c1cscn1)N1CCC2(CCN(Cc3cccnc3)CC2)CC1 ZINC000096158434 222058241 /nfs/dbraw/zinc/05/82/41/222058241.db2.gz GARCGUJSCASBQY-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228741 222089610 /nfs/dbraw/zinc/08/96/10/222089610.db2.gz VQPFWFQWFVMVSF-NRFANRHFSA-N 0 3 355.482 3.131 40 0 FGABHN NC1(C(=O)N2CCC(c3cccc(Br)n3)CC2)CCCCC1 ZINC000072360857 494158238 /nfs/dbraw/zinc/15/82/38/494158238.db2.gz DIHHTFSGKIYJKD-UHFFFAOYSA-N 0 3 366.303 3.212 40 0 FGABHN COc1cc(CN2CCC(c3[nH]nc4ncccc43)CC2)cc(OC)c1 ZINC000012221373 494215130 /nfs/dbraw/zinc/21/51/30/494215130.db2.gz DJSNWLUIFVVOBE-UHFFFAOYSA-N 0 3 352.438 3.355 40 0 FGABHN Cc1cc(-c2cnc(N3CCN4CCC[C@@H]4C3)nc2-c2ccoc2C)on1 ZINC000012251524 494217271 /nfs/dbraw/zinc/21/72/71/494217271.db2.gz ONCNAOXJHBGGMA-OAHLLOKOSA-N 0 3 365.437 3.293 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012292207 494219243 /nfs/dbraw/zinc/21/92/43/494219243.db2.gz IULXBGUFJGFAAB-FQEVSTJZSA-N 0 3 355.478 3.329 40 0 FGABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329261 494225653 /nfs/dbraw/zinc/22/56/53/494225653.db2.gz XFDAIEMYKLXDJO-MOPGFXCFSA-N 0 3 357.425 3.210 40 0 FGABHN CCN(C)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704919 494455112 /nfs/dbraw/zinc/45/51/12/494455112.db2.gz DJUIPWZGTUVHCG-MRXNPFEDSA-N 0 3 354.491 3.243 40 0 FGABHN Cc1ncsc1CN1CCC(c2nc(C)cc(-c3nccn3C)n2)CC1 ZINC000257319937 497402204 /nfs/dbraw/zinc/40/22/04/497402204.db2.gz VURBVGRDTCJFSV-UHFFFAOYSA-N 0 3 368.510 3.330 40 0 FGABHN Cc1nc2c(n1CC1CC1)CN(Cc1nccs1)CC21CCN(C)CC1 ZINC000306123118 498736464 /nfs/dbraw/zinc/73/64/64/498736464.db2.gz AEXDEPYXEQKLJD-UHFFFAOYSA-N 0 3 371.554 3.037 40 0 FGABHN CC(C)N(C)CC(=O)N1CC[C@@H](OCC2CC2)[C@H](Cc2ccccc2)C1 ZINC000585113516 507576490 /nfs/dbraw/zinc/57/64/90/507576490.db2.gz WSQDILVRKISXMI-NHCUHLMSSA-N 0 3 358.526 3.213 40 0 FGABHN c1cncc(-c2ccc3nc([C@H]4CCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306134835 534504841 /nfs/dbraw/zinc/50/48/41/534504841.db2.gz NZJWUXJZYWXFAX-IBGZPJMESA-N 0 3 356.433 3.176 40 0 FGABHN CC[C@@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257261812 529556001 /nfs/dbraw/zinc/55/60/01/529556001.db2.gz LIXGHPSCZJRZKW-LZRWSTQFSA-N 0 3 372.509 3.198 40 0 FGABHN CO[C@@H]1CCCOC12CCN(Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000257308783 223060533 /nfs/dbraw/zinc/06/05/33/223060533.db2.gz TYBYRSYPUCIICC-LJQANCHMSA-N 0 3 353.466 3.304 40 0 FGABHN Cc1cc(C)nc(Nc2cc(C3CCN([C@H]4CCOC4)CC3)ccn2)n1 ZINC000257311398 223062225 /nfs/dbraw/zinc/06/22/25/223062225.db2.gz UJGPNXVTOJGPSJ-SFHVURJKSA-N 0 3 353.470 3.200 40 0 FGABHN c1cc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128784 223109231 /nfs/dbraw/zinc/10/92/31/223109231.db2.gz HKGSRXPVUUJLOE-LJQANCHMSA-N 0 3 356.433 3.176 40 0 FGABHN Cc1ccc([C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCNC3)cc1 ZINC000019136100 220238400 /nfs/dbraw/zinc/23/84/00/220238400.db2.gz WLSUASXLJKKMGQ-OXQOHEQNSA-N 0 3 364.493 3.288 40 0 FGABHN Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccc(F)c(F)c4)C3)o2)cn1 ZINC000019239173 220244020 /nfs/dbraw/zinc/24/40/20/220244020.db2.gz YOHHGFGKWPEJQC-ZDUSSCGKSA-N 0 3 357.364 3.103 40 0 FGABHN Fc1ccc(OCCNCc2cc(-c3ccccc3)cn3nnnc23)cc1 ZINC000019374026 220256281 /nfs/dbraw/zinc/25/62/81/220256281.db2.gz GHDIJKAXEVKRQV-UHFFFAOYSA-N 0 3 363.396 3.099 40 0 FGABHN CCN1CCN(CC2CC2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527443 220268117 /nfs/dbraw/zinc/26/81/17/220268117.db2.gz IYDVYPGDFGOZTB-QFIPXVFZSA-N 0 3 363.505 3.481 40 0 FGABHN COc1ccccc1C(=O)N1C[C@@H]2CC[C@H](CC1=O)N2Cc1ccccc1 ZINC000019568574 220274620 /nfs/dbraw/zinc/27/46/20/220274620.db2.gz PXURSLVMHIZNTH-MSOLQXFVSA-N 0 3 364.445 3.101 40 0 FGABHN C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575926 220275176 /nfs/dbraw/zinc/27/51/76/220275176.db2.gz ZIENODVQWPXTOT-AEGPPILISA-N 0 3 364.848 3.378 40 0 FGABHN CC1(C)Cc2cc(CN3CC[C@@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747787 220294147 /nfs/dbraw/zinc/29/41/47/220294147.db2.gz XSSCQCHYQMFWOW-MRXNPFEDSA-N 0 3 351.450 3.256 40 0 FGABHN c1ccc(Cc2nnc([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)o2)cc1 ZINC000049169847 221021069 /nfs/dbraw/zinc/02/10/69/221021069.db2.gz ZLQAGTPDYZREIU-KRWDZBQOSA-N 0 3 363.417 3.379 40 0 biogenic,in-vitro FGABHN COCCN1c2ccccc2C2(CCN(Cc3ccc(C)o3)CC2)C1=O ZINC000096052510 222003910 /nfs/dbraw/zinc/00/39/10/222003910.db2.gz ZHXZENYRAJFKJU-UHFFFAOYSA-N 0 3 354.450 3.115 40 0 FGABHN Cc1ccc(CN2CC[C@@H]3CN(Cc4ccncc4)CCO[C@@H]3C2)s1 ZINC000096055180 222004591 /nfs/dbraw/zinc/00/45/91/222004591.db2.gz CPERSQQVLXVPMY-UYAOXDASSA-N 0 3 357.523 3.174 40 0 FGABHN COc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3Cc2cccc(C)n2)cc1 ZINC000096056638 222005710 /nfs/dbraw/zinc/00/57/10/222005710.db2.gz YAMVPMINLJYFRJ-NHCUHLMSSA-N 0 3 365.477 3.164 40 0 FGABHN CN(C)C(=O)[C@H]1OC2(CCN(Cc3cccs3)CC2)c2ccccc21 ZINC000096058365 222007278 /nfs/dbraw/zinc/00/72/78/222007278.db2.gz UDNZOQDLVUJPNZ-SFHVURJKSA-N 0 3 356.491 3.399 40 0 FGABHN Cc1noc(C)c1CN1CCC2(C1)CCN(C(=O)c1ccsc1)CC2 ZINC000096157638 222058159 /nfs/dbraw/zinc/05/81/59/222058159.db2.gz YSVCJVLSVSANPX-UHFFFAOYSA-N 0 3 359.495 3.481 40 0 FGABHN CN(Cc1ccccn1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159268 222058813 /nfs/dbraw/zinc/05/88/13/222058813.db2.gz ITIHQISWWLTUNA-UHFFFAOYSA-N 0 3 356.495 3.055 40 0 FGABHN Fc1ccccc1CN1CC[C@H]2OCC[C@@]2(CCNc2ncccn2)C1 ZINC000096208473 222078806 /nfs/dbraw/zinc/07/88/06/222078806.db2.gz NUSWKANLKLJMNP-QUCCMNQESA-N 0 3 356.445 3.099 40 0 FGABHN O=C(N[C@H]1COCCC12CCN(Cc1ccoc1)CC2)c1ccccc1 ZINC000096209860 222080414 /nfs/dbraw/zinc/08/04/14/222080414.db2.gz NZOIZDMKXAGJRY-IBGZPJMESA-N 0 3 354.450 3.081 40 0 FGABHN Cc1cccc(CN2CC[C@@]3(CCCN(Cc4ccsc4)C3)C2=O)n1 ZINC000096224713 222086856 /nfs/dbraw/zinc/08/68/56/222086856.db2.gz RFMNQDJSOCETHK-HXUWFJFHSA-N 0 3 355.507 3.466 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C ZINC000100687616 222249390 /nfs/dbraw/zinc/24/93/90/222249390.db2.gz XYKYWDWTDGVVSZ-KURKYZTESA-N 0 3 358.530 3.228 40 0 FGABHN CC(C)C[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000101036458 222260373 /nfs/dbraw/zinc/26/03/73/222260373.db2.gz QJJLUJITDYPBBY-FHWLQOOXSA-N 0 3 350.418 3.411 40 0 FGABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2cccc(Cl)c2)C1 ZINC000010544108 263366279 /nfs/dbraw/zinc/36/62/79/263366279.db2.gz BZMMVTJDAWGHQE-GASCZTMLSA-N 0 3 358.935 3.127 40 0 FGABHN O=C1N[C@]2(COC3(C2)CCN(Cc2cccs2)CC3)Nc2ccccc21 ZINC000072325389 494152004 /nfs/dbraw/zinc/15/20/04/494152004.db2.gz AEHFEAKLJOLDOS-HXUWFJFHSA-N 0 3 369.490 3.055 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392897 494163374 /nfs/dbraw/zinc/16/33/74/494163374.db2.gz FTHYFVVABNRIAZ-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392897 494163377 /nfs/dbraw/zinc/16/33/77/494163377.db2.gz FTHYFVVABNRIAZ-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393040 494163719 /nfs/dbraw/zinc/16/37/19/494163719.db2.gz VKIBVPZSHLJXQV-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393040 494163723 /nfs/dbraw/zinc/16/37/23/494163723.db2.gz VKIBVPZSHLJXQV-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN CCOc1cc(CN2CCC(c3[nH]nc4nccnc43)CC2)ccc1OC ZINC000012228325 494216070 /nfs/dbraw/zinc/21/60/70/494216070.db2.gz AZLYBUIHEVYVIK-UHFFFAOYSA-N 0 3 367.453 3.140 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012292204 494218803 /nfs/dbraw/zinc/21/88/03/494218803.db2.gz IULXBGUFJGFAAB-HXUWFJFHSA-N 0 3 355.478 3.329 40 0 FGABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000013676405 494292600 /nfs/dbraw/zinc/29/26/00/494292600.db2.gz ACKRNUVCLWYFQQ-HUUCEWRRSA-N 0 3 358.935 3.127 40 0 FGABHN c1ccc(CN2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712412 494589399 /nfs/dbraw/zinc/58/93/99/494589399.db2.gz SQNPUZHTVDNRGL-RTWAWAEBSA-N 0 3 353.466 3.065 40 0 FGABHN Fc1cccc(CN2CCC[C@@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 ZINC000107790879 494600168 /nfs/dbraw/zinc/60/01/68/494600168.db2.gz GTDIKBTVPGVICA-FXAWDEMLSA-N 0 3 356.445 3.099 40 0 FGABHN COc1cccc(CN2CCC3(CCN(C(=O)c4ccccn4)C3)CC2)c1 ZINC000096046644 494998805 /nfs/dbraw/zinc/99/88/05/494998805.db2.gz MICNDJCSDAIZMG-UHFFFAOYSA-N 0 3 365.477 3.219 40 0 FGABHN Fc1cccnc1OCC[C@@H]1CCOC12CCN(Cc1cccnc1)CC2 ZINC000247496220 496873081 /nfs/dbraw/zinc/87/30/81/496873081.db2.gz CZTSBRIEVWIJPN-GOSISDBHSA-N 0 3 371.456 3.456 40 0 FGABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461298 497002083 /nfs/dbraw/zinc/00/20/83/497002083.db2.gz GENZUWQEDZYTAD-PCCBWWKXSA-N 0 3 373.518 3.225 40 0 FGABHN c1ccc(CN2CC[C@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306122967 498736380 /nfs/dbraw/zinc/73/63/80/498736380.db2.gz AAYCDEJNOPXLHI-SFHVURJKSA-N 0 3 356.433 3.176 40 0 FGABHN O=C(NCc1ccccc1)N1CC[C@H]2CCN(Cc3ccccn3)CC[C@@H]21 ZINC000306138902 534676058 /nfs/dbraw/zinc/67/60/58/534676058.db2.gz SKLJXMCNLZCWGI-CTNGQTDRSA-N 0 3 364.493 3.278 40 0 FGABHN Cc1ncc(CN(C)C)c([C@@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000257331960 534734445 /nfs/dbraw/zinc/73/44/45/534734445.db2.gz XVCGATLBJWXVKM-IBGZPJMESA-N 0 3 358.461 3.202 40 0 FGABHN CC(=O)N[C@@H]1C[C@H](c2cccc(OCCN(C)C)c2)O[C@@H]2CCCC[C@@H]12 ZINC000257303711 526864904 /nfs/dbraw/zinc/86/49/04/526864904.db2.gz SIJUQMCYKWITHY-DOIPELPJSA-N 0 3 360.498 3.152 40 0 FGABHN CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccc4ccccc4n3)C[C@H]12 ZINC000257296549 530037632 /nfs/dbraw/zinc/03/76/32/530037632.db2.gz RDHRPMPGNQNDQY-SLYNCCJLSA-N 0 3 359.477 3.372 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2cnc(Nc3cnccn3)cn2)C1 ZINC000257256845 223039964 /nfs/dbraw/zinc/03/99/64/223039964.db2.gz KNCNYDUBUCIKQL-AWEZNQCLSA-N 0 3 367.482 3.155 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2cncc(-c3nccn3C)n2)C1 ZINC000257273062 223044934 /nfs/dbraw/zinc/04/49/34/223044934.db2.gz NFCKEUYZRUIUNB-CQSZACIVSA-N 0 3 354.483 3.022 40 0 FGABHN Cc1ncsc1CN1CCC(Cc2cnc(-c3nccn3C)cn2)CC1 ZINC000257296175 223054904 /nfs/dbraw/zinc/05/49/04/223054904.db2.gz RBNXLTHSUWPFDX-UHFFFAOYSA-N 0 3 368.510 3.097 40 0 FGABHN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CCN(C)C3)cc1 ZINC000019209770 220238830 /nfs/dbraw/zinc/23/88/30/220238830.db2.gz LOAVMWWRQVILCB-HXUWFJFHSA-N 0 3 364.493 3.069 40 0 FGABHN O=c1cc([C@H]2CCN(Cc3ccc(F)c(F)c3)C2)nc(-c2ccncc2)[nH]1 ZINC000019292845 220247157 /nfs/dbraw/zinc/24/71/57/220247157.db2.gz XENLCXATLAKEKJ-HNNXBMFYSA-N 0 3 368.387 3.100 40 0 FGABHN O=C(c1cc([C@H]2CCCN(CCc3ccccc3)C2)no1)N1CCCC1 ZINC000019371273 220253433 /nfs/dbraw/zinc/25/34/33/220253433.db2.gz LGEDQPDCXHWCKS-SFHVURJKSA-N 0 3 353.466 3.333 40 0 FGABHN O=C(NC1CC1)[C@@H]1CN(Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019372625 220253967 /nfs/dbraw/zinc/25/39/67/220253967.db2.gz JLJOYKTVVNZZFM-XUZZJYLKSA-N 0 3 374.484 3.213 40 0 FGABHN COc1ccc(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555158 220270774 /nfs/dbraw/zinc/27/07/74/220270774.db2.gz NDFNRWOTAPRCRP-QGZVFWFLSA-N 0 3 369.465 3.299 40 0 FGABHN Cn1cc(CN2CC[C@H](C(=O)Nc3ccccn3)C2)c2cc(F)ccc21 ZINC000019747811 220293838 /nfs/dbraw/zinc/29/38/38/220293838.db2.gz LSSPRMSZXMBMPR-AWEZNQCLSA-N 0 3 352.413 3.173 40 0 FGABHN Cc1cnc(N2CCC3(C[C@H](N(C)Cc4cccs4)CO3)CC2)nc1 ZINC000104950168 132238797 /nfs/dbraw/zinc/23/87/97/132238797.db2.gz RMNRYLLWPSADAR-INIZCTEOSA-N 0 3 358.511 3.106 40 0 FGABHN COc1ccc2c(c1)CCN(c1cc(NCCN(C)C)nc(C(C)C)n1)C2 ZINC000328982079 132372178 /nfs/dbraw/zinc/37/21/78/132372178.db2.gz GXWWQPZDSYXSQL-UHFFFAOYSA-N 0 3 369.513 3.145 40 0 FGABHN Cc1ncsc1CN1CCC2(CO[C@H](COc3ccccn3)C2)CC1 ZINC000096110800 222028375 /nfs/dbraw/zinc/02/83/75/222028375.db2.gz IRVDQCPYKIDOGX-INIZCTEOSA-N 0 3 359.495 3.297 40 0 FGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000096054570 222003340 /nfs/dbraw/zinc/00/33/40/222003340.db2.gz OJGLYWYCPRXLMP-FFZOFVMBSA-N 0 3 374.506 3.201 40 0 FGABHN Cc1ccc(CN2CCN3C[C@@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055089 222004556 /nfs/dbraw/zinc/00/45/56/222004556.db2.gz URJOYYSFRMYGFF-OALUTQOASA-N 0 3 357.523 3.235 40 0 FGABHN O=C(CCc1cccnc1)N1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245518 222100230 /nfs/dbraw/zinc/10/02/30/222100230.db2.gz IIEGMLLZJXFTFE-OALUTQOASA-N 0 3 369.896 3.258 40 0 FGABHN CC(=O)Nc1nc(C)c(-c2cnc([C@@H]3CCCN(C(C)C)C3)cn2)s1 ZINC000257320164 263464055 /nfs/dbraw/zinc/46/40/55/263464055.db2.gz VVPJLWOEMAISSZ-CQSZACIVSA-N 0 3 359.499 3.455 40 0 FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000036741289 494097676 /nfs/dbraw/zinc/09/76/76/494097676.db2.gz HKKVYNZWJTVDEZ-ICSRJNTNSA-N 0 3 361.869 3.366 40 0 FGABHN O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CC(=O)Nc2ccccc21 ZINC000009063632 494113736 /nfs/dbraw/zinc/11/37/36/494113736.db2.gz WTWXOTCWSQMBKI-UHFFFAOYSA-N 0 3 367.424 3.023 40 0 FGABHN Cc1ccccc1NC(=O)CC1C(=O)N(C2CC2)c2nc3ccccc3n21 ZINC000039964116 494124619 /nfs/dbraw/zinc/12/46/19/494124619.db2.gz ALIDRVQQCNOLPG-GOSISDBHSA-N 0 3 360.417 3.424 40 0 FGABHN Cn1cc(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000019704721 494455426 /nfs/dbraw/zinc/45/54/26/494455426.db2.gz HDOTWOAFIGRKQZ-OAHLLOKOSA-N 0 3 371.872 3.365 40 0 FGABHN CN(C)c1nc2ccccc2cc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2C ZINC000019713182 494456171 /nfs/dbraw/zinc/45/61/71/494456171.db2.gz XCJNTSMVEUEODY-VQTJNVASSA-N 0 3 366.509 3.276 40 0 FGABHN c1nc2n(c1-c1ccccc1)CCNC21CCN(Cc2cccnc2)CC1 ZINC000096037105 494997125 /nfs/dbraw/zinc/99/71/25/494997125.db2.gz MBZUHTVUHZDIMO-UHFFFAOYSA-N 0 3 359.477 3.040 40 0 FGABHN O=C1N(Cc2ccncc2)CC[C@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048660 494999393 /nfs/dbraw/zinc/99/93/93/494999393.db2.gz ISJKJHWKKYOUPI-NRFANRHFSA-N 0 3 353.441 3.235 40 0 FGABHN Cc1cccc(CO[C@@H]2Cn3cccc3CN(CC3CCOCC3)C2)n1 ZINC000247873025 496923794 /nfs/dbraw/zinc/92/37/94/496923794.db2.gz MFFVHQTVKIVILS-NRFANRHFSA-N 0 3 355.482 3.019 40 0 FGABHN COc1cccc(CN2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)c1 ZINC000247882521 496924856 /nfs/dbraw/zinc/92/48/56/496924856.db2.gz JSSMHUMZIMJTAK-NYVOZVTQSA-N 0 3 368.477 3.144 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942427 496930634 /nfs/dbraw/zinc/93/06/34/496930634.db2.gz VITLRXRNPGWSJZ-JLMWRMLUSA-N 0 3 352.478 3.437 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544970 497049940 /nfs/dbraw/zinc/04/99/40/497049940.db2.gz CUAGSIOKBGBQQB-KRWDZBQOSA-N 0 3 368.543 3.245 40 0 FGABHN Cc1c2ccccc2oc1C(=O)N1Cc2cncn2[C@H](CN2CCCC2)C1 ZINC000253599686 497344700 /nfs/dbraw/zinc/34/47/00/497344700.db2.gz YFCKSJCEDRQLLR-QGZVFWFLSA-N 0 3 364.449 3.231 40 0 FGABHN Cc1c2ccccc2oc1C(=O)N1Cc2cncn2[C@@H](CN2CCCC2)C1 ZINC000253599683 497345203 /nfs/dbraw/zinc/34/52/03/497345203.db2.gz YFCKSJCEDRQLLR-KRWDZBQOSA-N 0 3 364.449 3.231 40 0 FGABHN CN1CC[C@H](COCc2ccncc2)CC12CN(Cc1cccs1)C2 ZINC000585102648 507569032 /nfs/dbraw/zinc/56/90/32/507569032.db2.gz DUAQZNLYEOXHLV-SFHVURJKSA-N 0 3 357.523 3.256 40 0 FGABHN Cc1cccc(OC[C@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284293 507584173 /nfs/dbraw/zinc/58/41/73/507584173.db2.gz JLZNDKODRFGQSI-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@H](O)COc3ccc(C)c(C)c3)cc2c1 ZINC000585285753 507586378 /nfs/dbraw/zinc/58/63/78/507586378.db2.gz SPNGWHYTOKQVPZ-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN COc1ccccc1CN1CCC(Cc2cnc(CN(C)C)cn2)CC1 ZINC000257279268 534078075 /nfs/dbraw/zinc/07/80/75/534078075.db2.gz OFVMPXDBHIKNPF-UHFFFAOYSA-N 0 3 354.498 3.002 40 0 FGABHN O=C(CCC1CCCC1)N1CCNC[C@@H](Cc2ccnc3cccnc23)C1 ZINC000257334199 534329242 /nfs/dbraw/zinc/32/92/42/534329242.db2.gz YEZVBVPVIVQILL-GOSISDBHSA-N 0 3 366.509 3.191 40 0 FGABHN CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000685938949 568434694 /nfs/dbraw/zinc/43/46/94/568434694.db2.gz HQMWMOHLMWYEOC-DFQSSKMNSA-N 0 3 359.514 3.240 40 0 FGABHN Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 ZINC000257261489 223040998 /nfs/dbraw/zinc/04/09/98/223040998.db2.gz LHNSBOJIDMGAFT-GOSISDBHSA-N 0 3 359.495 3.050 40 0 FGABHN C[C@@]1(C2CCN(Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257267687 223044695 /nfs/dbraw/zinc/04/46/95/223044695.db2.gz MIJMHAVONAURPJ-IBGZPJMESA-N 0 3 358.417 3.176 40 0 FGABHN C[C@]1(C2CCN(Cc3cnc[nH]3)CC2)CN(c2ccc(F)cc2)C(=O)O1 ZINC000257267688 223044300 /nfs/dbraw/zinc/04/43/00/223044300.db2.gz MIJMHAVONAURPJ-LJQANCHMSA-N 0 3 358.417 3.176 40 0 FGABHN Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2CC2CCOCC2)n1 ZINC000257277392 223048780 /nfs/dbraw/zinc/04/87/80/223048780.db2.gz NXUHJOPBLDAGCK-GOSISDBHSA-N 0 3 368.485 3.272 40 0 FGABHN COc1cccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1 ZINC000019129298 220237681 /nfs/dbraw/zinc/23/76/81/220237681.db2.gz UGGGVFRPNXKEGM-MRXNPFEDSA-N 0 3 351.454 3.008 40 0 FGABHN CCCOc1ccccc1CN1CC[C@@H](c2nnc(-c3cnccn3)o2)C1 ZINC000019525159 220265221 /nfs/dbraw/zinc/26/52/21/220265221.db2.gz MEFMTJAGUGKYRE-MRXNPFEDSA-N 0 3 365.437 3.305 40 0 FGABHN CCOc1cc2c(cc1CN(CCN(C)C)Cc1cccnc1)O[C@@H](C)C2 ZINC000019532388 220268023 /nfs/dbraw/zinc/26/80/23/220268023.db2.gz IQANHRYQSJKEQS-KRWDZBQOSA-N 0 3 369.509 3.368 40 0 FGABHN Cc1nnsc1C(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C ZINC000019563509 220273215 /nfs/dbraw/zinc/27/32/15/220273215.db2.gz OBPJNVSXYBVTDW-KZNAEPCWSA-N 0 3 370.522 3.329 40 0 FGABHN COc1ccc2c(c1)C(=O)NC[C@@H]([C@H]1CCCN(Cc3ccccc3)C1)O2 ZINC000019562129 220274513 /nfs/dbraw/zinc/27/45/13/220274513.db2.gz WBKXQMHJBQCHOG-UWJYYQICSA-N 0 3 366.461 3.098 40 0 FGABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1cnccn1 ZINC000019590818 220277417 /nfs/dbraw/zinc/27/74/17/220277417.db2.gz FDRWNSPEOUUJAR-SXLOBPIMSA-N 0 3 368.456 3.098 40 0 FGABHN COCCC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 ZINC000019593245 220278525 /nfs/dbraw/zinc/27/85/25/220278525.db2.gz OMSLQGZUKIBTNT-UHFFFAOYSA-N 0 3 362.489 3.255 40 0 FGABHN CC(C)c1cc(C(=O)Nc2ccccc2CN2CCCC2)nn2cnnc12 ZINC000019716278 220290541 /nfs/dbraw/zinc/29/05/41/220290541.db2.gz JUVXMHMCRQHIIR-UHFFFAOYSA-N 0 3 364.453 3.096 40 0 FGABHN Cc1cccn2cc(C(=O)N(Cc3ccccc3)C3CCN(C)CC3)nc12 ZINC000019718847 220290585 /nfs/dbraw/zinc/29/05/85/220290585.db2.gz FUMKXFWRABQQNO-UHFFFAOYSA-N 0 3 362.477 3.379 40 0 FGABHN c1ccc(N2CCC[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)nc1 ZINC000096216659 132222594 /nfs/dbraw/zinc/22/25/94/132222594.db2.gz FBDZKNIKHSGIFJ-OAQYLSRUSA-N 0 3 351.450 3.303 40 0 FGABHN COc1ncccc1CN1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC000096111035 222029443 /nfs/dbraw/zinc/02/94/43/222029443.db2.gz KUTBOKRYZWWYDH-CTNGQTDRSA-N 0 3 353.466 3.304 40 0 FGABHN Cc1cncc(C(=O)N2C[C@@H]3CCC[C@@H](N(C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054590 222003138 /nfs/dbraw/zinc/00/31/38/222003138.db2.gz ZYPHREITWGMBIL-PWIZWCRZSA-N 0 3 353.466 3.356 40 0 FGABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 ZINC000096245519 222100685 /nfs/dbraw/zinc/10/06/85/222100685.db2.gz IIEGMLLZJXFTFE-RTBURBONSA-N 0 3 369.896 3.258 40 0 FGABHN O=C1N(Cc2cccc(F)c2)CCC12CCN(Cc1cccnc1)CC2 ZINC000096157994 222058343 /nfs/dbraw/zinc/05/83/43/222058343.db2.gz LTMVPPIENONZHR-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN Cc1noc(C)c1CN1CCC2(CCN(C(=O)c3ccsc3)C2)CC1 ZINC000096157473 222058538 /nfs/dbraw/zinc/05/85/38/222058538.db2.gz JZCZYVMTWCDMNQ-UHFFFAOYSA-N 0 3 359.495 3.481 40 0 FGABHN COc1ccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 ZINC000010292225 263364595 /nfs/dbraw/zinc/36/45/95/263364595.db2.gz WTVBJJYQZOLHGE-UHFFFAOYSA-N 0 3 368.477 3.490 40 0 FGABHN CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000031075283 493922945 /nfs/dbraw/zinc/92/29/45/493922945.db2.gz KOMBXUNLPXMQAC-UHFFFAOYSA-N 0 3 374.506 3.160 40 0 FGABHN COc1cccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)c1 ZINC000035835358 494082436 /nfs/dbraw/zinc/08/24/36/494082436.db2.gz BBEMCIMKDSHOGW-FQEVSTJZSA-N 0 3 350.462 3.358 40 0 FGABHN CCn1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c1C ZINC000072340439 494153316 /nfs/dbraw/zinc/15/33/16/494153316.db2.gz LXHRRDLKTCIKNR-DQLDELGASA-N 0 3 357.473 3.470 40 0 FGABHN O=C(C1CCC1)N1CCN(Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355149 494156910 /nfs/dbraw/zinc/15/69/10/494156910.db2.gz DXPJCEFDBJJKPX-HXUWFJFHSA-N 0 3 363.505 3.385 40 0 FGABHN OCCN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072358378 494157185 /nfs/dbraw/zinc/15/71/85/494157185.db2.gz VWQZEFACGNHEGO-CQSZACIVSA-N 0 3 351.372 3.334 40 0 FGABHN CCOc1ccc(CN2CCC[C@@H](c3[nH]nc4nccnc43)C2)cc1OC ZINC000072393833 494163159 /nfs/dbraw/zinc/16/31/59/494163159.db2.gz UPOWTLCMBJAVMZ-OAHLLOKOSA-N 0 3 367.453 3.140 40 0 FGABHN CCCO[C@H]1CCCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1 ZINC000012241471 494217085 /nfs/dbraw/zinc/21/70/85/494217085.db2.gz XSRCTVSALBLIHZ-IBGZPJMESA-N 0 3 369.509 3.311 40 0 FGABHN CCOc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 ZINC000012275809 494218925 /nfs/dbraw/zinc/21/89/25/494218925.db2.gz BKRPCIQOLBCKPC-QGZVFWFLSA-N 0 3 365.481 3.398 40 0 FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc(C)c(C)c2)C1 ZINC000012292219 494218979 /nfs/dbraw/zinc/21/89/79/494218979.db2.gz JTCGSYDFKVFFNL-IRLDBZIGSA-N 0 3 355.478 3.329 40 0 FGABHN Fc1cccc(CN2CCC[C@]3(C[C@@H](CNc4ncccn4)CO3)C2)c1 ZINC000107790885 494600572 /nfs/dbraw/zinc/60/05/72/494600572.db2.gz GTDIKBTVPGVICA-PXNSSMCTSA-N 0 3 356.445 3.099 40 0 FGABHN c1ccc(CN2CC[C@@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040099 494997492 /nfs/dbraw/zinc/99/74/92/494997492.db2.gz ISSPGGPHHDAFOE-LEWJYISDSA-N 0 3 353.466 3.065 40 0 FGABHN Cc1ccccc1C(=O)N1CC2(C1)CC[C@H](CN(C)Cc1ccco1)CO2 ZINC000248072626 496951044 /nfs/dbraw/zinc/95/10/44/496951044.db2.gz BGKPCNTUQDWLRI-GOSISDBHSA-N 0 3 368.477 3.341 40 0 FGABHN CCN1CCN(c2cc(NC(=O)c3ccc(C)cc3)c(N)cc2C)CC1 ZINC000216867671 496993634 /nfs/dbraw/zinc/99/36/34/496993634.db2.gz JPZRFGUQSKTNFU-UHFFFAOYSA-N 0 3 352.482 3.280 40 0 FGABHN CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223263506 497034496 /nfs/dbraw/zinc/03/44/96/497034496.db2.gz QMHSLANSMXULGU-MOPGFXCFSA-N 0 3 371.554 3.054 40 0 FGABHN CN1CC[C@@H](COCc2cccnc2)CC12CN(Cc1ccsc1)C2 ZINC000585103703 507570241 /nfs/dbraw/zinc/57/02/41/507570241.db2.gz YVKOLIAHMRUWDK-QGZVFWFLSA-N 0 3 357.523 3.256 40 0 FGABHN c1nc([N-]c2cncc(C[C@H]3CCC[NH2+]C3)n2)sc1-c1ccccc1 ZINC000585263283 507582047 /nfs/dbraw/zinc/58/20/47/507582047.db2.gz UXTAEZQJYFGWEU-CQSZACIVSA-N 0 3 351.479 3.308 40 0 FGABHN O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1NCCOc1cccc(F)c1 ZINC000585289163 507587004 /nfs/dbraw/zinc/58/70/04/507587004.db2.gz NFVAIPKAMZKBRF-XUVXKRRUSA-N 0 3 363.404 3.294 40 0 FGABHN O=C(COc1ccc(Cl)cc1)N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019888743 526952085 /nfs/dbraw/zinc/95/20/85/526952085.db2.gz NFKLZXLSUYXVJK-IKGGRYGDSA-N 0 3 360.885 3.075 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1c(C)cccc1C ZINC000005572724 204215539 /nfs/dbraw/zinc/21/55/39/204215539.db2.gz MDXUMQALCQXJNR-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@H]3C2)n1 ZINC000107746108 206023679 /nfs/dbraw/zinc/02/36/79/206023679.db2.gz WNSPPFIOWBRUPQ-QRFRQXIXSA-N 0 3 353.466 3.356 40 0 FGABHN Cc1ccc(CN2CC[C@]3(CCC[C@@H]3C(=O)NC3CC(F)(F)C3)C2)o1 ZINC000108534782 206034588 /nfs/dbraw/zinc/03/45/88/206034588.db2.gz IDQDOHSYXXESMQ-SJLPKXTDSA-N 0 3 352.425 3.494 40 0 FGABHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccncc1 ZINC000102732783 206230387 /nfs/dbraw/zinc/23/03/87/206230387.db2.gz CYMUQKWPHCOSDQ-ZCNNSNEGSA-N 0 3 371.396 3.133 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102732783 206230391 /nfs/dbraw/zinc/23/03/91/206230391.db2.gz CYMUQKWPHCOSDQ-ZCNNSNEGSA-N 0 3 371.396 3.133 40 0 FGABHN COc1ccccc1CN1CCC2(CC1)Nc1ccccc1C1=NCCN12 ZINC000072327124 494152517 /nfs/dbraw/zinc/15/25/17/494152517.db2.gz FYOPOVKPQKXUOQ-UHFFFAOYSA-N 0 3 362.477 3.175 40 0 FGABHN CC(C)(C)c1nc2c(nnn2C2CCN(Cc3cccs3)CC2)c(=O)[nH]1 ZINC000072337621 494153341 /nfs/dbraw/zinc/15/33/41/494153341.db2.gz ZEDMUMVLYXXPLA-UHFFFAOYSA-N 0 3 372.498 3.123 40 0 FGABHN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358584 494157286 /nfs/dbraw/zinc/15/72/86/494157286.db2.gz AWDTVYYWYIEXNU-IBGZPJMESA-N 0 3 373.460 3.017 40 0 FGABHN CC[C@H](CN1CCCCC1)NC(=O)Cc1csc(-c2cccnc2)n1 ZINC000012239752 494216919 /nfs/dbraw/zinc/21/69/19/494216919.db2.gz UNLNUGQZZZJTIM-MRXNPFEDSA-N 0 3 358.511 3.128 40 0 FGABHN COc1ccc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)cc1OC ZINC000012407689 494230040 /nfs/dbraw/zinc/23/00/40/494230040.db2.gz BZCOURFDRGROFF-GOSISDBHSA-N 0 3 356.466 3.029 40 0 FGABHN COc1ccccc1CN1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019129335 494436111 /nfs/dbraw/zinc/43/61/11/494436111.db2.gz NGJINJLYZJVVAZ-HNNXBMFYSA-N 0 3 351.454 3.008 40 0 FGABHN CN1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2C(=O)c1ccnn1C ZINC000019289143 494441157 /nfs/dbraw/zinc/44/11/57/494441157.db2.gz IGZYRSFNMGYCKH-NSHGMRRFSA-N 0 3 370.472 3.042 40 0 FGABHN CN(C)CCN(Cc1cccnc1)Cc1cccc(Oc2ncccn2)c1 ZINC000019582602 494451501 /nfs/dbraw/zinc/45/15/01/494451501.db2.gz YNDSSPIJWKDKRU-UHFFFAOYSA-N 0 3 363.465 3.228 40 0 FGABHN COCCN1CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000019593424 494452338 /nfs/dbraw/zinc/45/23/38/494452338.db2.gz SSGUUBVKQSXSDA-UHFFFAOYSA-N 0 3 356.495 3.055 40 0 FGABHN CCN(C(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000019655391 494452733 /nfs/dbraw/zinc/45/27/33/494452733.db2.gz TXUKNXIMLZLNND-ZDUSSCGKSA-N 0 3 358.404 3.415 40 0 FGABHN Cc1nccn1C[C@H]1CCCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019656790 494453716 /nfs/dbraw/zinc/45/37/16/494453716.db2.gz ZIPFSOSEGZLZHA-KRWDZBQOSA-N 0 3 353.445 3.429 40 0 FGABHN O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC[C@@H](N2CCCC2)C1 ZINC000019715120 494457676 /nfs/dbraw/zinc/45/76/76/494457676.db2.gz KUGRMKMCPZYGAH-MRXNPFEDSA-N 0 3 358.873 3.226 40 0 FGABHN CNc1cc(CN(C)Cc2cccc3ncccc23)nc([C@@H]2CCCN2)n1 ZINC000019759954 494460425 /nfs/dbraw/zinc/46/04/25/494460425.db2.gz KDOYBQVJEUSBEL-IBGZPJMESA-N 0 3 362.481 3.123 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN(Cc3cccs3)C2)C1 ZINC000096047111 494998660 /nfs/dbraw/zinc/99/86/60/494998660.db2.gz MXZAONUWQZMQPU-HXUWFJFHSA-N 0 3 355.507 3.200 40 0 FGABHN Cc1nc(CO[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cs1 ZINC000096106799 495002109 /nfs/dbraw/zinc/00/21/09/495002109.db2.gz PEKJBZOHBVPERI-SFHVURJKSA-N 0 3 359.495 3.187 40 0 FGABHN Cc1noc(C)c1CN1CCC2(C[C@@H](N(C)Cc3ccco3)CO2)CC1 ZINC000096158678 495005416 /nfs/dbraw/zinc/00/54/16/495005416.db2.gz CRTBVDPALYSELM-QGZVFWFLSA-N 0 3 359.470 3.140 40 0 FGABHN CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223263616 497034219 /nfs/dbraw/zinc/03/42/19/497034219.db2.gz QMHSLANSMXULGU-OALUTQOASA-N 0 3 371.554 3.054 40 0 FGABHN Cc1ccnc(NC(=S)NCCNc2cc(C)nc3ccccc32)n1 ZINC000225215611 497058622 /nfs/dbraw/zinc/05/86/22/497058622.db2.gz MQVNCORNXFHXLV-UHFFFAOYSA-N 0 3 352.467 3.040 40 0 FGABHN COc1ccc(Oc2cncc(C3CCN([C@H]4CCOC4)CC3)n2)cc1 ZINC000257228115 497393605 /nfs/dbraw/zinc/39/36/05/497393605.db2.gz FSIUCCVAJMDVAE-INIZCTEOSA-N 0 3 355.438 3.246 40 0 FGABHN Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5N(C)C4)nc12 ZINC000257312723 497402831 /nfs/dbraw/zinc/40/28/31/497402831.db2.gz UPGXMZIYSAKIKD-CQSHLORDSA-N 0 3 352.482 3.120 40 0 FGABHN Cc1ncsc1C(=O)N1CCC[C@@H]1c1ccnc(CN2CCCC2)c1 ZINC000257327192 497403323 /nfs/dbraw/zinc/40/33/23/497403323.db2.gz XAJDHMZINCWJBI-QGZVFWFLSA-N 0 3 356.495 3.420 40 0 FGABHN Cc1ncsc1C(=O)N1CCC[C@H]1c1ccnc(CN2CCCC2)c1 ZINC000257327191 497403335 /nfs/dbraw/zinc/40/33/35/497403335.db2.gz XAJDHMZINCWJBI-KRWDZBQOSA-N 0 3 356.495 3.420 40 0 FGABHN COc1cccc(CN2CCC(Cc3cnc(CN(C)C)cn3)CC2)c1 ZINC000257327319 497403553 /nfs/dbraw/zinc/40/35/53/497403553.db2.gz XAXVHKFPKDEIGJ-UHFFFAOYSA-N 0 3 354.498 3.002 40 0 FGABHN COc1ccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000408608934 499593169 /nfs/dbraw/zinc/59/31/69/499593169.db2.gz NCEHVVPTAGUBHE-UHFFFAOYSA-N 0 3 350.462 3.358 40 0 FGABHN c1nc([N-]c2cncc(CC[C@@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262967 507581808 /nfs/dbraw/zinc/58/18/08/507581808.db2.gz GHIMGOIWJHHWGX-HNNXBMFYSA-N 0 3 351.479 3.450 40 0 FGABHN OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1ccc(Cl)cc1 ZINC000585292375 507587096 /nfs/dbraw/zinc/58/70/96/507587096.db2.gz IFFSUVNBOVOYBU-KZNAEPCWSA-N 0 3 352.261 3.315 40 0 FGABHN O=C(COc1ccc(Cl)cc1)N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019888746 526951236 /nfs/dbraw/zinc/95/12/36/526951236.db2.gz NFKLZXLSUYXVJK-IXDOHACOSA-N 0 3 360.885 3.075 40 0 FGABHN O=C(NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1)c1ccn[nH]1 ZINC000019332837 204677549 /nfs/dbraw/zinc/67/75/49/204677549.db2.gz CPEWZJLJEGRJDB-UHFFFAOYSA-N 0 3 372.900 3.379 40 0 FGABHN Cc1cccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 ZINC000039964105 205047187 /nfs/dbraw/zinc/04/71/87/205047187.db2.gz PTHGSKZZHVDINL-SFHVURJKSA-N 0 3 360.417 3.424 40 0 FGABHN c1cc(CN2CCC3(C[C@@H](OCC4CCOCC4)CO3)CC2)cs1 ZINC000096106681 205823975 /nfs/dbraw/zinc/82/39/75/205823975.db2.gz HFBNUDCTPCQQQU-GOSISDBHSA-N 0 3 351.512 3.315 40 0 FGABHN COc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc1 ZINC000107746908 206023493 /nfs/dbraw/zinc/02/34/93/206023493.db2.gz LATIFVFCHPNAAX-NQIIRXRSSA-N 0 3 356.441 3.172 40 0 FGABHN CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 ZINC000108527951 206033072 /nfs/dbraw/zinc/03/30/72/206033072.db2.gz RNWXETWDPUYXMT-INIZCTEOSA-N 0 3 365.905 3.125 40 0 FGABHN CC(C)n1nnnc1[C@@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000019454640 206326039 /nfs/dbraw/zinc/32/60/39/206326039.db2.gz KIVYCCZHJVYDQL-LJQANCHMSA-N 0 3 372.492 3.043 40 0 FGABHN CCOC[C@@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542198 206371219 /nfs/dbraw/zinc/37/12/19/206371219.db2.gz XFDUMIFOQNTHGJ-HKBOAZHASA-N 0 3 373.518 3.170 40 0 FGABHN Cc1cc2cc(C(=O)N3CCO[C@H](c4cc(N)cc(C)n4)C3)ccc2o1 ZINC000257272270 206612744 /nfs/dbraw/zinc/61/27/44/206612744.db2.gz NBSLSNBSRZWXRO-IBGZPJMESA-N 0 3 351.406 3.241 40 0 FGABHN Cc1cccc2cc(CNc3ccc(N4CCN(C)CC4)cc3)c(=O)[nH]c12 ZINC000072396111 136144762 /nfs/dbraw/zinc/14/47/62/136144762.db2.gz PGPVUJLKCNGQCD-UHFFFAOYSA-N 0 3 362.477 3.200 40 0 FGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1OC ZINC000012089065 494203594 /nfs/dbraw/zinc/20/35/94/494203594.db2.gz MJAFMEOVFPKCGT-VSOVRNOCSA-N 0 3 368.477 3.219 40 0 FGABHN COc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000012292406 494219025 /nfs/dbraw/zinc/21/90/25/494219025.db2.gz PLJNUSNFLPWVPW-IBGZPJMESA-N 0 3 371.477 3.029 40 0 FGABHN COc1ccc([C@@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1OC ZINC000012292412 494219204 /nfs/dbraw/zinc/21/92/04/494219204.db2.gz QCAFHRJMHFRTIJ-IBGZPJMESA-N 0 3 371.477 3.029 40 0 FGABHN O=C(N[C@H](c1nccs1)[C@@H]1CCCN(CC2CC2)C1)c1ccccn1 ZINC000012365840 494227646 /nfs/dbraw/zinc/22/76/46/494227646.db2.gz SEYSFPTUOOVIPS-WBVHZDCISA-N 0 3 356.495 3.131 40 0 FGABHN COc1cccc(CN2CCC([C@@H](NC(C)=O)c3ccccn3)CC2)c1 ZINC000019020554 494434350 /nfs/dbraw/zinc/43/43/50/494434350.db2.gz OBFHEZHQHIXETK-OAQYLSRUSA-N 0 3 353.466 3.180 40 0 FGABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4ccccn4)[C@@H]32)cc1 ZINC000019019375 494434682 /nfs/dbraw/zinc/43/46/82/494434682.db2.gz BYYHEMUXIIEEGO-YPAWHYETSA-N 0 3 365.477 3.069 40 0 FGABHN C[C@H]1Cc2cc(CN3CCC(c4nn(C)c5nccnc45)CC3)ccc2O1 ZINC000019498182 494446608 /nfs/dbraw/zinc/44/66/08/494446608.db2.gz CIACCCUCEKXEQM-AWEZNQCLSA-N 0 3 363.465 3.066 40 0 FGABHN CCOc1cc(CN2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)ccc1OC ZINC000019522504 494447852 /nfs/dbraw/zinc/44/78/52/494447852.db2.gz DAPXGPFIEBHXTK-MRXNPFEDSA-N 0 3 371.481 3.119 40 0 FGABHN CCN1CCN(CC2CC2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019527442 494448124 /nfs/dbraw/zinc/44/81/24/494448124.db2.gz IYDVYPGDFGOZTB-JOCHJYFZSA-N 0 3 363.505 3.481 40 0 FGABHN Cc1cc2nc([C@@H]3CCCN(Cc4cc(C)c(O)c(C)c4)C3)cc(N)n2n1 ZINC000019569996 494449776 /nfs/dbraw/zinc/44/97/76/494449776.db2.gz YHEBFVWHMBAVIJ-QGZVFWFLSA-N 0 3 365.481 3.322 40 0 FGABHN CN1CCc2nc([C@@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590288 494451554 /nfs/dbraw/zinc/45/15/54/494451554.db2.gz ATBCUTLYEUHENS-FQEVSTJZSA-N 0 3 364.493 3.151 40 0 FGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)c1ccc(=O)oc1 ZINC000019590192 494451810 /nfs/dbraw/zinc/45/18/10/494451810.db2.gz JLKSVNGSLMNXDC-SFHLNBCPSA-N 0 3 366.461 3.122 40 0 FGABHN CCN(C(=O)Cn1c(CC(C)C)nc2ccccc21)C1CCN(C)CC1 ZINC000019666619 494454028 /nfs/dbraw/zinc/45/40/28/494454028.db2.gz CWNZUEUVCRSXDR-UHFFFAOYSA-N 0 3 356.514 3.178 40 0 FGABHN COc1cc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc(OC)c1OC ZINC000019789477 494459736 /nfs/dbraw/zinc/45/97/36/494459736.db2.gz LZSQOPTVZODGAM-CGTJXYLNSA-N 0 3 360.498 3.019 40 0 FGABHN CCOC[C@@H](CN(CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000022581401 494528008 /nfs/dbraw/zinc/52/80/08/494528008.db2.gz DIWYWVXXZQKSHS-LJQANCHMSA-N 0 3 363.546 3.311 40 0 FGABHN CCOc1ccc([C@H](N)c2nc(CNc3ccccc3)n[nH]2)cc1OCC ZINC000095534540 494989252 /nfs/dbraw/zinc/98/92/52/494989252.db2.gz NDTRTZYOFYJOOQ-IBGZPJMESA-N 0 3 367.453 3.262 40 0 FGABHN CC(=O)N1CCn2c(-c3ccccc3)cnc2C12CCN(CC1CC1)CC2 ZINC000096036944 494997746 /nfs/dbraw/zinc/99/77/46/494997746.db2.gz HXHAXTMBTKCMPL-UHFFFAOYSA-N 0 3 364.493 3.113 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@@H](N(C)Cc4ccncc4)CO3)CC2)o1 ZINC000096048079 494998774 /nfs/dbraw/zinc/99/87/74/494998774.db2.gz KJKPHSOCANYJJO-LJQANCHMSA-N 0 3 355.482 3.239 40 0 FGABHN COc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)cc1 ZINC000096048981 494999397 /nfs/dbraw/zinc/99/93/97/494999397.db2.gz VLPINCUWQWQPLP-UHFFFAOYSA-N 0 3 373.522 3.019 40 0 FGABHN O=C(CC1CCC2(CC1)CCN(Cc1ccoc1)CC2)N1CCOCC1 ZINC000096049288 495000073 /nfs/dbraw/zinc/00/00/73/495000073.db2.gz LGPCMFFYGFCPKQ-UHFFFAOYSA-N 0 3 360.498 3.301 40 0 FGABHN COc1ccc(CN2CC[C@@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050728 495000324 /nfs/dbraw/zinc/00/03/24/495000324.db2.gz BDUCPEYQZFOXIJ-OAQYLSRUSA-N 0 3 354.425 3.463 40 0 FGABHN Fc1cccc(CN2CCC[C@]3(C[C@H](CNc4ncccn4)CO3)C2)c1 ZINC000096075791 495001226 /nfs/dbraw/zinc/00/12/26/495001226.db2.gz GTDIKBTVPGVICA-XLIONFOSSA-N 0 3 356.445 3.099 40 0 FGABHN COCCn1c(C(=O)NCCN(C)C)cc2c1c1ccccc1n2C(C)C ZINC000096146344 495004417 /nfs/dbraw/zinc/00/44/17/495004417.db2.gz DTNYOFQAARFLSH-UHFFFAOYSA-N 0 3 370.497 3.115 40 0 FGABHN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@@]2(C1)COCCN(CC1CC1)C2 ZINC000096228791 495007918 /nfs/dbraw/zinc/00/79/18/495007918.db2.gz LGSLXNBGEBFELV-JOCHJYFZSA-N 0 3 367.493 3.133 40 0 FGABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000101039236 495067531 /nfs/dbraw/zinc/06/75/31/495067531.db2.gz ASGBDICQONEGBH-LSDHHAIUSA-N 0 3 373.419 3.304 40 0 FGABHN CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1 ZINC000257237076 497394026 /nfs/dbraw/zinc/39/40/26/497394026.db2.gz HFBNROMBRVZSAM-SFGWALBWSA-N 0 3 366.509 3.245 40 0 FGABHN NCc1cn(-c2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)cn1 ZINC000257279319 497397614 /nfs/dbraw/zinc/39/76/14/497397614.db2.gz OGAYIMGHPSGDFQ-UHFFFAOYSA-N 0 3 374.366 3.280 40 0 FGABHN Cc1nc2cc([C@H]3CCCCN3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257334826 497403469 /nfs/dbraw/zinc/40/34/69/497403469.db2.gz YHMXOWLWGOJLFK-MRXNPFEDSA-N 0 3 357.502 3.008 40 0 FGABHN Cc1cccc(CN2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123397 498736206 /nfs/dbraw/zinc/73/62/06/498736206.db2.gz AMAWWDVYRWPEMD-FGZHOGPDSA-N 0 3 372.472 3.273 40 0 FGABHN Cc1cc(F)ccc1Nc1cc(-c2ccncc2)nc(NCCN(C)C)n1 ZINC000329007569 499013325 /nfs/dbraw/zinc/01/33/25/499013325.db2.gz LKTGIZKPUSRWJL-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN Cc1cc(Nc2cc(-c3cccnc3)nc(NCCN(C)C)n2)ccc1F ZINC000329023500 499018324 /nfs/dbraw/zinc/01/83/24/499018324.db2.gz OUGAORSVMCNQSC-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN Cc1cccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1 ZINC000585284290 507584649 /nfs/dbraw/zinc/58/46/49/507584649.db2.gz JLZNDKODRFGQSI-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN CN1C(=O)c2cc(C(F)(F)F)ccc2O[C@H]2CN(C3CCCC3)C[C@H]21 ZINC000514288566 560034561 /nfs/dbraw/zinc/03/45/61/560034561.db2.gz ACEKPDATJYYAEZ-ZBFHGGJFSA-N 0 3 354.372 3.165 40 0 biogenic,in-vitro FGABHN CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@@H](C)N[C@@H]1C ZINC000005328095 204203251 /nfs/dbraw/zinc/20/32/51/204203251.db2.gz NEWAJILYNWSANI-MPTQWLOMSA-N 0 3 367.873 3.162 40 0 FGABHN CC(C)[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079410319 205066948 /nfs/dbraw/zinc/06/69/48/205066948.db2.gz HPAOBEHLYZCSDI-JYJNAYRXSA-N 0 3 355.523 3.043 40 0 FGABHN CC[C@@H]1CCCCN1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016380 205284133 /nfs/dbraw/zinc/28/41/33/205284133.db2.gz ZLPHSYRSKUEUAT-TZIWHRDSSA-N 0 3 362.489 3.290 40 0 FGABHN Cc1c(C(=O)N2CCCC[C@@H]2C)c(C(F)(F)F)nn1C1CCN(C)CC1 ZINC000049362631 206086599 /nfs/dbraw/zinc/08/65/99/206086599.db2.gz ZNGJKMYQLJPENF-LBPRGKRZSA-N 0 3 372.435 3.492 40 0 FGABHN C[C@@H]1Cc2ccccc2CN1c1cc(NCCN(C)C)nc(C2CC2)n1 ZINC000328996717 132372453 /nfs/dbraw/zinc/37/24/53/132372453.db2.gz JMKUWUGJFDKADU-OAHLLOKOSA-N 0 3 351.498 3.279 40 0 FGABHN CC[C@@H]1C[C@H]2CN3CCc4c5cc(OC)ccc5[nH]c4[C@@](C(=O)OC)(C2)[C@H]13 ZINC000002008830 493800085 /nfs/dbraw/zinc/80/00/85/493800085.db2.gz MMAYTCMMKJYIAM-WNSHACJQSA-N 0 3 368.477 3.264 40 0 FGABHN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000030946485 493914253 /nfs/dbraw/zinc/91/42/53/493914253.db2.gz OBBYTMZDPCAYJL-QGZVFWFLSA-N 0 3 370.424 3.463 40 0 FGABHN CN(Cc1ccccc1)C[C@H](O)c1cccc(I)c1 ZINC000031772640 493960213 /nfs/dbraw/zinc/96/02/13/493960213.db2.gz YPGSEFDICUTVAP-INIZCTEOSA-N 0 3 367.230 3.457 40 0 FGABHN CN1CCCC[C@@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216417 494144317 /nfs/dbraw/zinc/14/43/17/494144317.db2.gz YQRHMXNHUSYCBS-QGZVFWFLSA-N 0 3 360.502 3.296 40 0 FGABHN Cc1cccc(Oc2cncc([C@@H]3CCCN(C(=O)C(C)(C)N)C3)n2)c1 ZINC000072363072 494158244 /nfs/dbraw/zinc/15/82/44/494158244.db2.gz YICOZZKRCFKCEZ-OAHLLOKOSA-N 0 3 354.454 3.021 40 0 FGABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(NC3CCCC3)n2)c1 ZINC000012163732 494210148 /nfs/dbraw/zinc/21/01/48/494210148.db2.gz ZFUPAHHGFWTLBR-DLBZAZTESA-N 0 3 354.454 3.016 40 0 FGABHN COc1ccc([C@H](O)CN2CCC(O)(c3cccc(C)c3)CC2)cc1OC ZINC000012292413 494219607 /nfs/dbraw/zinc/21/96/07/494219607.db2.gz QCAFHRJMHFRTIJ-LJQANCHMSA-N 0 3 371.477 3.029 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc3c(c2)CCC3)CC1 ZINC000012292564 494220440 /nfs/dbraw/zinc/22/04/40/494220440.db2.gz SHVUQXNNQBSXKG-OAQYLSRUSA-N 0 3 367.489 3.201 40 0 FGABHN O=c1oc2ccc(Cl)cc2n1[C@@H]1CCCN(CCN2CCCCC2)C1 ZINC000019346003 494442625 /nfs/dbraw/zinc/44/26/25/494442625.db2.gz UCDHMCNUSYMBOL-MRXNPFEDSA-N 0 3 363.889 3.371 40 0 FGABHN COc1ccc(CN2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)cc1 ZINC000019555161 494448943 /nfs/dbraw/zinc/44/89/43/494448943.db2.gz NDFNRWOTAPRCRP-KRWDZBQOSA-N 0 3 369.465 3.299 40 0 FGABHN COc1ccc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C ZINC000019577357 494451424 /nfs/dbraw/zinc/45/14/24/494451424.db2.gz FEGDWTLJORPNSZ-GOSISDBHSA-N 0 3 367.493 3.195 40 0 FGABHN Cc1nn(C)cc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713197 494456300 /nfs/dbraw/zinc/45/63/00/494456300.db2.gz UQHWTNNDGNMUAA-RTWAWAEBSA-N 0 3 366.509 3.274 40 0 FGABHN Cc1nccn1CC1CCN(Cc2cnc(N3CCC[C@H](C)C3)nc2)CC1 ZINC000019715675 494457647 /nfs/dbraw/zinc/45/76/47/494457647.db2.gz XNZULNFLLWDXHL-KRWDZBQOSA-N 0 3 368.529 3.130 40 0 FGABHN O=S(=O)(Cc1c(Cl)cccc1Cl)NCCN1CCCCCC1 ZINC000026111109 494801515 /nfs/dbraw/zinc/80/15/15/494801515.db2.gz LCYVJQDEELDZPS-UHFFFAOYSA-N 0 3 365.326 3.289 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@H](N(C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048050 494998109 /nfs/dbraw/zinc/99/81/09/494998109.db2.gz BSNWHPPWSAAKDD-IBGZPJMESA-N 0 3 355.482 3.239 40 0 FGABHN COc1ccc(CN2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)cc1 ZINC000096048176 494998134 /nfs/dbraw/zinc/99/81/34/494998134.db2.gz FBXOGMWKFXCVMG-IBGZPJMESA-N 0 3 372.509 3.079 40 0 FGABHN CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1CN(Cc1ccco1)CCC2 ZINC000096056026 494999415 /nfs/dbraw/zinc/99/94/15/494999415.db2.gz FWBRHEMMMRHPAV-RXVVDRJESA-N 0 3 372.465 3.150 40 0 FGABHN COc1ccc(CN2CCC3(CCC(=O)N3Cc3ccncc3)CC2)cc1 ZINC000096049395 494999508 /nfs/dbraw/zinc/99/95/08/494999508.db2.gz RUQJKSLGOVVEON-UHFFFAOYSA-N 0 3 365.477 3.247 40 0 FGABHN COc1ccc(CN2CC[C@]3(CC(=O)N(Cc4csc(C)n4)C3)C2)cc1 ZINC000096050912 494999645 /nfs/dbraw/zinc/99/96/45/494999645.db2.gz CJDWWJUYVYJTIE-FQEVSTJZSA-N 0 3 371.506 3.085 40 0 FGABHN Cc1ncsc1CN1CCC2(CO[C@H](COc3cccnc3)C2)CC1 ZINC000096106111 495001720 /nfs/dbraw/zinc/00/17/20/495001720.db2.gz RJGIDOKZTXYWNL-KRWDZBQOSA-N 0 3 359.495 3.297 40 0 FGABHN Cn1ccnc1CN1CCC2(CC1)CCN(Cc1cccc(F)c1)CC2 ZINC000096158404 495005763 /nfs/dbraw/zinc/00/57/63/495005763.db2.gz FKNOSSOZQDCDBJ-UHFFFAOYSA-N 0 3 356.489 3.437 40 0 FGABHN Cc1ccsc1CN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000097953808 495046489 /nfs/dbraw/zinc/04/64/89/495046489.db2.gz SUCXTXDTVQHTOX-USXIJHARSA-N 0 3 357.479 3.070 40 0 FGABHN O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccccc1 ZINC000105331238 495356332 /nfs/dbraw/zinc/35/63/32/495356332.db2.gz ODIHKORNWOSIJW-GOSISDBHSA-N 0 3 367.836 3.286 40 0 FGABHN Cc1cccc(CO[C@H]2Cn3cccc3CN(CC3CCOCC3)C2)n1 ZINC000247873026 496923595 /nfs/dbraw/zinc/92/35/95/496923595.db2.gz MFFVHQTVKIVILS-OAQYLSRUSA-N 0 3 355.482 3.019 40 0 FGABHN COc1ccc(CN2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc1 ZINC000247886583 496925703 /nfs/dbraw/zinc/92/57/03/496925703.db2.gz LATIFVFCHPNAAX-RXVVDRJESA-N 0 3 356.441 3.172 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000224544922 497050006 /nfs/dbraw/zinc/05/00/06/497050006.db2.gz CUAGSIOKBGBQQB-QGZVFWFLSA-N 0 3 368.543 3.245 40 0 FGABHN CC1(C(=O)N2CCNC[C@@H](Cc3ccnc4cccnc34)C2)CCCCC1 ZINC000257260770 497396610 /nfs/dbraw/zinc/39/66/10/497396610.db2.gz LEGPGLWXPQQWQO-QGZVFWFLSA-N 0 3 366.509 3.191 40 0 FGABHN Cc1n[nH]c(C)c1CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C ZINC000257316065 497401950 /nfs/dbraw/zinc/40/19/50/497401950.db2.gz VDYWGMPYGZCGFL-PCCBWWKXSA-N 0 3 366.509 3.396 40 0 FGABHN CC(C)Cn1cc2c(n1)C1(CCN(Cc3cccs3)CC1)CN(C)C2=O ZINC000306144041 498743047 /nfs/dbraw/zinc/74/30/47/498743047.db2.gz YUHHONZYKIIFAO-UHFFFAOYSA-N 0 3 372.538 3.220 40 0 FGABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585103185 507568771 /nfs/dbraw/zinc/56/87/71/507568771.db2.gz LZLJUOQZDJFBFO-IBGZPJMESA-N 0 3 362.539 3.235 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000585284491 507584984 /nfs/dbraw/zinc/58/49/84/507584984.db2.gz LIJHDXKPPIURTO-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN COc1ccccc1C1(O)CCN(C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000012292423 219975379 /nfs/dbraw/zinc/97/53/79/219975379.db2.gz WGNBFJKNAYQOTJ-GOSISDBHSA-N 0 3 361.869 3.366 40 0 FGABHN COc1cccc(CN(C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)c1 ZINC000006605245 204255858 /nfs/dbraw/zinc/25/58/58/204255858.db2.gz WSKOWHSLJSBACL-SFHLNBCPSA-N 0 3 359.510 3.497 40 0 FGABHN CN(C(=O)OCc1ccccc1)[C@@H](CN1CC[C@H](O)C1)c1ccccc1 ZINC000008375042 204329309 /nfs/dbraw/zinc/32/93/09/204329309.db2.gz XXJCJEOBWAOPCT-PMACEKPBSA-N 0 3 354.450 3.063 40 0 FGABHN Cc1ccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)cc1 ZINC000039964088 205047462 /nfs/dbraw/zinc/04/74/62/205047462.db2.gz DPYOFCDTDNLGHP-GOSISDBHSA-N 0 3 360.417 3.424 40 0 FGABHN O=C(Nc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038849342 205042539 /nfs/dbraw/zinc/04/25/39/205042539.db2.gz AKBJRKKUPZQZPA-HNNXBMFYSA-N 0 3 356.397 3.405 40 0 FGABHN COc1ccc(NC(=S)NCCCN2CCc3ccccc3C2)cc1 ZINC000046103188 205133451 /nfs/dbraw/zinc/13/34/51/205133451.db2.gz PNSSJOQGTIZUKU-UHFFFAOYSA-N 0 3 355.507 3.430 40 0 FGABHN c1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)nc1 ZINC000107712416 206022096 /nfs/dbraw/zinc/02/20/96/206022096.db2.gz SQNPUZHTVDNRGL-SFTDATJTSA-N 0 3 353.466 3.065 40 0 FGABHN O=C1[C@@H]2C(=C([O-])N1c1ccccc1)ON(c1ccccc1)[C@H]2c1ccco1 ZINC000137809431 206135056 /nfs/dbraw/zinc/13/50/56/206135056.db2.gz NRGSUXPIXSRJFZ-FHWLQOOXSA-N 0 3 360.369 3.331 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 ZINC000137809431 206135060 /nfs/dbraw/zinc/13/50/60/206135060.db2.gz NRGSUXPIXSRJFZ-FHWLQOOXSA-N 0 3 360.369 3.331 40 0 FGABHN Cc1ccc(CN(CCCN2CCOCC2)Cc2cccnc2)cc1C ZINC000013569031 206303765 /nfs/dbraw/zinc/30/37/65/206303765.db2.gz UYBOHBZNGFYXOX-UHFFFAOYSA-N 0 3 353.510 3.423 40 0 FGABHN CC(C)C[C@@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019446795 206325707 /nfs/dbraw/zinc/32/57/07/206325707.db2.gz AEKDRLNJOTUSGS-IBGZPJMESA-N 0 3 360.550 3.436 40 0 FGABHN CCC(C)(C)n1nnnc1[C@H](CC(C)C)N1CCN(C2CCCC2)CC1 ZINC000019499522 206326257 /nfs/dbraw/zinc/32/62/57/206326257.db2.gz YQEHKTOZHCRAFF-SFHVURJKSA-N 0 3 362.566 3.466 40 0 FGABHN Cc1nccn1-c1nccnc1C1CCN(Cc2ccc(F)cc2)CC1 ZINC000072350502 494156109 /nfs/dbraw/zinc/15/61/09/494156109.db2.gz AJNFZCCGBPYGSM-UHFFFAOYSA-N 0 3 351.429 3.489 40 0 FGABHN Cc1ccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)cc1 ZINC000072363071 494158821 /nfs/dbraw/zinc/15/88/21/494158821.db2.gz VEJQVUBXILDHTA-UHFFFAOYSA-N 0 3 354.454 3.021 40 0 FGABHN Cc1cc(Oc2ccccc2F)nc([C@@H]2CCCN2C(=O)C(C)(C)N)n1 ZINC000072384384 494162062 /nfs/dbraw/zinc/16/20/62/494162062.db2.gz PVRPYRJLNWXVMA-AWEZNQCLSA-N 0 3 358.417 3.117 40 0 FGABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3c[nH]nc3C(C)(C)C)C[C@H]21 ZINC000072392543 494162605 /nfs/dbraw/zinc/16/26/05/494162605.db2.gz VDHAMBCRRFAGSX-XPIZARPCSA-N 0 3 354.498 3.140 40 0 FGABHN Nc1cc2ccccc2nc1C1CCN(C(=O)CN2CCCCCC2)CC1 ZINC000012087802 494202182 /nfs/dbraw/zinc/20/21/82/494202182.db2.gz WWASRNWFUOMSIT-UHFFFAOYSA-N 0 3 366.509 3.399 40 0 FGABHN COc1ccc(OC)c(CN2CCC(c3[nH]nc4ncccc43)CC2)c1 ZINC000012143425 494208187 /nfs/dbraw/zinc/20/81/87/494208187.db2.gz FKVIGVCDZJKMAK-UHFFFAOYSA-N 0 3 352.438 3.355 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCC3)C1 ZINC000012292576 494220297 /nfs/dbraw/zinc/22/02/97/494220297.db2.gz WLTDFPCOGHSCOJ-FYYLOGMGSA-N 0 3 367.489 3.201 40 0 FGABHN Fc1ccccc1CN1CCC[C@H](Cn2nnc(-c3cccs3)n2)C1 ZINC000012471609 494235850 /nfs/dbraw/zinc/23/58/50/494235850.db2.gz RLGXILIDWRDGNF-AWEZNQCLSA-N 0 3 357.458 3.453 40 0 FGABHN COc1ccc(OC)c(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)c1 ZINC000019237849 494439728 /nfs/dbraw/zinc/43/97/28/494439728.db2.gz YIPWGJRUFQRDMC-NBCNXNJRSA-N 0 3 368.477 3.137 40 0 FGABHN COc1ccc(OC[C@H](C)NCc2cnc(N3CCC[C@@H](C)C3)nc2)cc1 ZINC000019496656 494445821 /nfs/dbraw/zinc/44/58/21/494445821.db2.gz ARRIVEKUSOJVQK-SJORKVTESA-N 0 3 370.497 3.279 40 0 FGABHN COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1OC ZINC000019552808 494448542 /nfs/dbraw/zinc/44/85/42/494448542.db2.gz HXPUHVSTHVLUKG-AOIWGVFYSA-N 0 3 372.509 3.042 40 0 FGABHN Cc1c2ccccc2[nH]c1CN[C@@H](C)c1cc(=O)[nH]c(-c2ccncc2)n1 ZINC000019565951 494449743 /nfs/dbraw/zinc/44/97/43/494449743.db2.gz OROKKRYOSZGIIW-AWEZNQCLSA-N 0 3 359.433 3.472 40 0 FGABHN COc1ccccc1CN1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 ZINC000019570270 494450002 /nfs/dbraw/zinc/45/00/02/494450002.db2.gz GGOGGEZBXDLDLE-ZDUSSCGKSA-N 0 3 373.407 3.450 40 0 FGABHN CNc1cc([C@@H]2CCCN(Cc3ccccn3)C2)nc(-c2ccncc2)n1 ZINC000019592282 494450962 /nfs/dbraw/zinc/45/09/62/494450962.db2.gz RNVXMSXQWDTYDZ-QGZVFWFLSA-N 0 3 360.465 3.355 40 0 FGABHN CNc1cc([C@@H]2CCCN(CC3=CCCOC3)C2)nc(-c2cccnc2)n1 ZINC000019592199 494451093 /nfs/dbraw/zinc/45/10/93/494451093.db2.gz YAULDPLOTNKGKX-GOSISDBHSA-N 0 3 365.481 3.106 40 0 FGABHN COc1ccccc1CN(C(=O)CCc1ccncc1)C1CCN(C)CC1 ZINC000019588150 494451577 /nfs/dbraw/zinc/45/15/77/494451577.db2.gz MJIZOQZDXBZPKK-UHFFFAOYSA-N 0 3 367.493 3.146 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)N4CCCC4)CO3)CC2)s1 ZINC000096048175 494998411 /nfs/dbraw/zinc/99/84/11/494998411.db2.gz FDCVWQJXVNVUQX-QGZVFWFLSA-N 0 3 362.539 3.440 40 0 FGABHN COc1ccc(CN2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc1 ZINC000096100388 495001262 /nfs/dbraw/zinc/00/12/62/495001262.db2.gz VQJUEBUEHMVUOB-PKTZIBPZSA-N 0 3 364.489 3.460 40 0 FGABHN c1cncc(OC[C@H]2COCCC23CCN(Cc2ccncc2)CC3)c1 ZINC000096215585 495007929 /nfs/dbraw/zinc/00/79/29/495007929.db2.gz SDISEFMXTUZTDZ-LJQANCHMSA-N 0 3 353.466 3.174 40 0 FGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)C1 ZINC000096228740 495008052 /nfs/dbraw/zinc/00/80/52/495008052.db2.gz VQPFWFQWFVMVSF-OAQYLSRUSA-N 0 3 355.482 3.131 40 0 FGABHN Clc1cncc(OC[C@H]2CO[C@@H]3CN(Cc4cccs4)C[C@H]23)c1 ZINC000096219097 495008098 /nfs/dbraw/zinc/00/80/98/495008098.db2.gz JSSMGINXTRLTQL-JCURWCKSSA-N 0 3 350.871 3.322 40 0 FGABHN c1nc2n(c1-c1ccccc1)CCNC21CCN(Cc2ccncc2)CC1 ZINC000096263404 495008713 /nfs/dbraw/zinc/00/87/13/495008713.db2.gz SCARHXDAHKBOKL-UHFFFAOYSA-N 0 3 359.477 3.040 40 0 FGABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000247915218 496926515 /nfs/dbraw/zinc/92/65/15/496926515.db2.gz FSMDWPYUEPHJNZ-HXUWFJFHSA-N 0 3 374.500 3.313 40 0 FGABHN CCOC[C@]1(CN)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000242495417 497354576 /nfs/dbraw/zinc/35/45/76/497354576.db2.gz GENZUWQEDZYTAD-PWRODBHTSA-N 0 3 373.518 3.225 40 0 FGABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)COc1ccc(F)c(Cl)c1 ZINC000257282906 497399174 /nfs/dbraw/zinc/39/91/74/497399174.db2.gz OVVLXKVKHLEOSH-WMZOPIPTSA-N 0 3 354.853 3.333 40 0 FGABHN c1ccc(CC[NH+]2CCC(c3cncc([N-]c4ncccn4)n3)CC2)cc1 ZINC000257283576 497399640 /nfs/dbraw/zinc/39/96/40/497399640.db2.gz OYWZLLFZFSVSOV-UHFFFAOYSA-N 0 3 360.465 3.432 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@@H]3C=CCC3)CC2)nn1C ZINC000257332730 497404261 /nfs/dbraw/zinc/40/42/61/497404261.db2.gz XYKYWDWTDGVVSZ-KZNAEPCWSA-N 0 3 358.530 3.228 40 0 FGABHN Cc1ccc(-c2cnc3n2C[C@@]2(CCN(Cc4ccncc4)C2)OC3)cc1 ZINC000306133140 498739372 /nfs/dbraw/zinc/73/93/72/498739372.db2.gz MDBRDYGOVNYVNN-QFIPXVFZSA-N 0 3 360.461 3.428 40 0 FGABHN Cc1cc(F)ccc1Nc1cc(-c2cccnc2)nc(NCCN(C)C)n1 ZINC000328987048 499007970 /nfs/dbraw/zinc/00/79/70/499007970.db2.gz IAGSXBQDSUAXHO-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN O=C(c1nccc2ccccc21)N1CCC[C@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585102106 507568615 /nfs/dbraw/zinc/56/86/15/507568615.db2.gz RVRDORXXJHDBFO-GCJKJVERSA-N 0 3 365.477 3.094 40 0 FGABHN C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103073 507568929 /nfs/dbraw/zinc/56/89/29/507568929.db2.gz CDAIHZRRAVLUQB-XLIONFOSSA-N 0 3 372.509 3.135 40 0 FGABHN C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103073 507568936 /nfs/dbraw/zinc/56/89/36/507568936.db2.gz CDAIHZRRAVLUQB-XLIONFOSSA-N 0 3 372.509 3.135 40 0 FGABHN C[C@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104443 507570680 /nfs/dbraw/zinc/57/06/80/507570680.db2.gz NFMDMGGFVSHBOI-XXBNENTESA-N 0 3 364.489 3.499 40 0 FGABHN O=C1C[C@]2(CN1c1ccc(F)cc1)COCCN(Cc1ccccc1)C2 ZINC000585104565 507571401 /nfs/dbraw/zinc/57/14/01/507571401.db2.gz QNTILDBIOUPZHH-NRFANRHFSA-N 0 3 354.425 3.081 40 0 FGABHN Cc1cncc(C(=O)N2CCN(C)C[C@@H](Cc3ccc4ncccc4c3)C2)c1 ZINC000585261163 507580477 /nfs/dbraw/zinc/58/04/77/507580477.db2.gz VZMYIMDXXCODRY-LJQANCHMSA-N 0 3 374.488 3.185 40 0 FGABHN c1nc([N-]c2cncc(CC[C@H]3CCC[NH2+]3)n2)sc1-c1ccccc1 ZINC000585262969 507582814 /nfs/dbraw/zinc/58/28/14/507582814.db2.gz GHIMGOIWJHHWGX-OAHLLOKOSA-N 0 3 351.479 3.450 40 0 FGABHN CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000078578697 523783227 /nfs/dbraw/zinc/78/32/27/523783227.db2.gz IYOSDFUTVUYZHR-FMIVXFBMSA-N 0 3 350.462 3.489 40 0 FGABHN C[C@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@H]1CCCCN1C ZINC000005065142 204189487 /nfs/dbraw/zinc/18/94/87/204189487.db2.gz AYEXHPIWIMINEM-FXAWDEMLSA-N 0 3 353.462 3.339 40 0 FGABHN CC[C@H](C)c1ccccc1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000006449908 204247834 /nfs/dbraw/zinc/24/78/34/204247834.db2.gz LUARTIXBNIEQLK-AZUAARDMSA-N 0 3 357.494 3.434 40 0 FGABHN CCOc1cc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)ccc1OC ZINC000169685775 206254437 /nfs/dbraw/zinc/25/44/37/206254437.db2.gz STRVWEOMXYDPHU-DFQSSKMNSA-N 0 3 356.510 3.424 40 0 FGABHN C[C@@H](O)CN(Cc1ccc2c(c1)OCO2)CC1=Cc2ccccc2OC1 ZINC000013991915 206306999 /nfs/dbraw/zinc/30/69/99/206306999.db2.gz VNJHYDWIQSOUMS-OAHLLOKOSA-N 0 3 353.418 3.074 40 0 FGABHN COc1cccc(CCNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1OC ZINC000013998817 206307358 /nfs/dbraw/zinc/30/73/58/206307358.db2.gz CCAGLFBRICTCMK-UHFFFAOYSA-N 0 3 366.461 3.494 40 0 FGABHN Cc1cccc(N2C(=O)c3cccc4c(N5CCNCC5)ccc(c43)C2=O)c1 ZINC000004713023 132255224 /nfs/dbraw/zinc/25/52/24/132255224.db2.gz JKUCOGWZCUBBDF-UHFFFAOYSA-N 0 3 371.440 3.358 40 0 FGABHN Cc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1C ZINC000025224546 263388591 /nfs/dbraw/zinc/38/85/91/263388591.db2.gz SYAUBRIALUEHBB-FQEVSTJZSA-N 0 3 361.445 3.249 40 0 FGABHN CCN1CCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216394 494144572 /nfs/dbraw/zinc/14/45/72/494144572.db2.gz AFRQBMMCVUZAQM-KRWDZBQOSA-N 0 3 360.502 3.296 40 0 FGABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC(C)C)on3)C2)c1 ZINC000072352765 494155960 /nfs/dbraw/zinc/15/59/60/494155960.db2.gz JPYSKCHWARBEBK-INIZCTEOSA-N 0 3 357.454 3.201 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393084 494163046 /nfs/dbraw/zinc/16/30/46/494163046.db2.gz IOLBLEZOBLKVAP-MRXNPFEDSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393084 494163049 /nfs/dbraw/zinc/16/30/49/494163049.db2.gz IOLBLEZOBLKVAP-MRXNPFEDSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393047 494163189 /nfs/dbraw/zinc/16/31/89/494163189.db2.gz URPDTQOSZZEGMY-HNNXBMFYSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393047 494163191 /nfs/dbraw/zinc/16/31/91/494163191.db2.gz URPDTQOSZZEGMY-HNNXBMFYSA-N 0 3 352.463 3.273 40 0 FGABHN O[C@@H](c1cccnc1)c1ccccc1N1CCN(CC2CCCC2)CC1 ZINC000012089525 494204107 /nfs/dbraw/zinc/20/41/07/494204107.db2.gz LBMQDJRRIQMIGG-QFIPXVFZSA-N 0 3 351.494 3.476 40 0 FGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012188319 494211707 /nfs/dbraw/zinc/21/17/07/494211707.db2.gz DHEGDKQALFVIBT-QFIPXVFZSA-N 0 3 366.505 3.464 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000012292438 494219147 /nfs/dbraw/zinc/21/91/47/494219147.db2.gz HKKVYNZWJTVDEZ-UYAOXDASSA-N 0 3 361.869 3.366 40 0 FGABHN O=C(NC1CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019372519 494443126 /nfs/dbraw/zinc/44/31/26/494443126.db2.gz NTHHKWWTXUIDLL-WOJBJXKFSA-N 0 3 366.436 3.035 40 0 FGABHN Cc1ccc([C@H](O)CN2CCCN(Cc3ncccc3C)CC2)c(C)c1 ZINC000022887463 494540467 /nfs/dbraw/zinc/54/04/67/494540467.db2.gz PNALMXWLBIBGGR-JOCHJYFZSA-N 0 3 353.510 3.248 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047116 494998208 /nfs/dbraw/zinc/99/82/08/494998208.db2.gz RRNYYRMAHZOTLC-FQEVSTJZSA-N 0 3 355.507 3.200 40 0 FGABHN COc1cccc(CN2CCC3(CCN(C(=O)c4ccc[nH]4)C3)CC2)c1 ZINC000096046640 494998674 /nfs/dbraw/zinc/99/86/74/494998674.db2.gz NFXDHRKUIJWJBH-UHFFFAOYSA-N 0 3 353.466 3.152 40 0 FGABHN COc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cc1 ZINC000096061419 494999444 /nfs/dbraw/zinc/99/94/44/494999444.db2.gz FBDABUSOFSRPAA-HXUWFJFHSA-N 0 3 350.462 3.334 40 0 FGABHN COc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)cc1 ZINC000096100249 495001059 /nfs/dbraw/zinc/00/10/59/495001059.db2.gz GSHOBOIBVSJNEY-FQEVSTJZSA-N 0 3 350.462 3.491 40 0 FGABHN O=C(c1cccc(Cl)c1)N1Cc2cncn2[C@@H](CN2CCCCC2)C1 ZINC000247940857 496930309 /nfs/dbraw/zinc/93/03/09/496930309.db2.gz PPOVFFDHNLEEPW-SFHVURJKSA-N 0 3 358.873 3.220 40 0 FGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]21 ZINC000248125008 496957006 /nfs/dbraw/zinc/95/70/06/496957006.db2.gz OJGLYWYCPRXLMP-LSTHTHJFSA-N 0 3 374.506 3.201 40 0 FGABHN Cc1cc(S(=O)(=O)NCc2ccccc2CN2CCCC2)ccc1F ZINC000224804961 497053081 /nfs/dbraw/zinc/05/30/81/497053081.db2.gz XQQWJOWWZQHLJD-UHFFFAOYSA-N 0 3 362.470 3.208 40 0 FGABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3nccc(C)n3)c2c1 ZINC000225215669 497058299 /nfs/dbraw/zinc/05/82/99/497058299.db2.gz MBWLSXZRBYFGMJ-UHFFFAOYSA-N 0 3 366.494 3.349 40 0 FGABHN Cc1c[nH]c(-c2nccnc2[C@H]2CCCN(Cc3scnc3C)C2)n1 ZINC000257225173 497392390 /nfs/dbraw/zinc/39/23/90/497392390.db2.gz FFDZLHPZWJBJCL-AWEZNQCLSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1c[nH]c(-c2cncc(C[C@@H]3CCCN(Cc4scnc4C)C3)n2)n1 ZINC000257241394 497395207 /nfs/dbraw/zinc/39/52/07/497395207.db2.gz HXXCKTMIJOXMJI-HNNXBMFYSA-N 0 3 368.510 3.395 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@@H]3CCCN(Cc4scnc4C)C3)ncn2)n1 ZINC000257277459 497398239 /nfs/dbraw/zinc/39/82/39/497398239.db2.gz NYBPGINIEXPQRL-HNNXBMFYSA-N 0 3 368.510 3.395 40 0 FGABHN CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000257277447 497398563 /nfs/dbraw/zinc/39/85/63/497398563.db2.gz NXZYZUQUSRFILB-MRXNPFEDSA-N 0 3 363.465 3.039 40 0 FGABHN Cc1cnc([C@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)s1 ZINC000257282649 497399777 /nfs/dbraw/zinc/39/97/77/497399777.db2.gz OUQHXRGHNQEYJL-KRWDZBQOSA-N 0 3 358.511 3.075 40 0 FGABHN Cc1noc(CCC(=O)N2[C@@H](c3ccccc3)C[C@H]3[C@H]2CCCCN3C)n1 ZINC000257305795 497401034 /nfs/dbraw/zinc/40/10/34/497401034.db2.gz SROOEJZFSNRRNK-QRVBRYPASA-N 0 3 368.481 3.137 40 0 FGABHN c1ccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306127046 498738532 /nfs/dbraw/zinc/73/85/32/498738532.db2.gz FMNSYUGXZZRUTP-GOSISDBHSA-N 0 3 356.433 3.176 40 0 FGABHN Cc1occc1C(=O)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306137845 498740880 /nfs/dbraw/zinc/74/08/80/498740880.db2.gz RHWVSJHJCCNOOG-IBGZPJMESA-N 0 3 372.509 3.331 40 0 FGABHN Cc1noc(C)c1CN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 ZINC000585099887 507566657 /nfs/dbraw/zinc/56/66/57/507566657.db2.gz QQJDMHHNCJLYID-NRFANRHFSA-N 0 3 368.481 3.234 40 0 FGABHN CC(C)CN1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102324 507568652 /nfs/dbraw/zinc/56/86/52/507568652.db2.gz XCGQKYAWIVCLAF-QFIPXVFZSA-N 0 3 369.509 3.372 40 0 FGABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1ccc(C)cc1)CC2 ZINC000585103196 507568967 /nfs/dbraw/zinc/56/89/67/507568967.db2.gz MQRFQEVDHAEMPJ-QFIPXVFZSA-N 0 3 370.537 3.482 40 0 FGABHN C[C@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104431 507569924 /nfs/dbraw/zinc/56/99/24/507569924.db2.gz NFMDMGGFVSHBOI-AUSIDOKSSA-N 0 3 364.489 3.499 40 0 FGABHN Cc1ccccc1S(=O)(=O)N1CC[C@H]2[C@@H](CN2CC2CCCCC2)C1 ZINC000585107964 507573904 /nfs/dbraw/zinc/57/39/04/507573904.db2.gz NGENNOOBWPBCDV-OALUTQOASA-N 0 3 362.539 3.270 40 0 FGABHN CN(Cc1ccc(OCc2nccn2C)cc1)C[C@H](O)c1ccccc1 ZINC000585270304 507582009 /nfs/dbraw/zinc/58/20/09/507582009.db2.gz UHWOKEPCUJRTOM-FQEVSTJZSA-N 0 3 351.450 3.165 40 0 FGABHN CN(C)C/C=C/C(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 ZINC000585292658 507587052 /nfs/dbraw/zinc/58/70/52/507587052.db2.gz PZZPGQSAYFVIEH-RZIFZGNASA-N 0 3 371.510 3.106 40 0 FGABHN CC(C)(C)OC(=O)N1CCC(OC2CCN(c3ccncc3)CC2)CC1 ZINC000306145188 534803448 /nfs/dbraw/zinc/80/34/48/534803448.db2.gz FPZAUOUVATUDQY-UHFFFAOYSA-N 0 3 361.486 3.467 40 0 FGABHN COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000038834509 205043072 /nfs/dbraw/zinc/04/30/72/205043072.db2.gz MFJLJFKCQRYKTP-QGZVFWFLSA-N 0 3 352.434 3.324 40 0 FGABHN COc1ccc(CCNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848934 205042690 /nfs/dbraw/zinc/04/26/90/205042690.db2.gz CTWPQEHQTBXFPK-LJQANCHMSA-N 0 3 370.468 3.405 40 0 FGABHN COc1cc(N2CCC[C@]3(CCN(Cc4ccc(C)cc4)C3)C2)ncn1 ZINC000096216518 132222573 /nfs/dbraw/zinc/22/25/73/132222573.db2.gz HKQCIBMKVDFHQQ-OAQYLSRUSA-N 0 3 352.482 3.286 40 0 FGABHN COc1cc(N2CCC[C@@]3(CCN(Cc4ccc(C)s4)C3)C2)ncn1 ZINC000096216515 132222660 /nfs/dbraw/zinc/22/26/60/132222660.db2.gz UVQGWLMQEPYWAG-IBGZPJMESA-N 0 3 358.511 3.348 40 0 FGABHN c1coc(CN2C[C@@H]3CN(c4ncccn4)CC[C@@]3(c3ccccc3)C2)c1 ZINC000247878632 132292133 /nfs/dbraw/zinc/29/21/33/132292133.db2.gz BHOFFDZNVARFKO-KNQAVFIVSA-N 0 3 360.461 3.350 40 0 FGABHN CCOC(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000001437865 493794145 /nfs/dbraw/zinc/79/41/45/493794145.db2.gz WKRBIEGHCJQYMX-RBUKOAKNSA-N 0 3 354.406 3.374 40 0 FGABHN CCOc1ccc([C@@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1 ZINC000012327726 494224660 /nfs/dbraw/zinc/22/46/60/494224660.db2.gz MRLILVPXHCEKNO-NRFANRHFSA-N 0 3 355.478 3.411 40 0 FGABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)c(C)c1 ZINC000014671957 494322691 /nfs/dbraw/zinc/32/26/91/494322691.db2.gz ASDGJGNMSKPMGD-LJQANCHMSA-N 0 3 361.445 3.249 40 0 FGABHN CC(=O)N1CCC(c2ncc3c(n2)CCN(CC2CCCCC2)C3)CC1 ZINC000019016860 494434853 /nfs/dbraw/zinc/43/48/53/494434853.db2.gz GTOUOIPJSDIHPC-UHFFFAOYSA-N 0 3 356.514 3.141 40 0 FGABHN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@H]1c1cccnc1)CCCC3 ZINC000045506748 494435120 /nfs/dbraw/zinc/43/51/20/494435120.db2.gz ONYCNUPACZTCCG-KRWDZBQOSA-N 0 3 364.449 3.332 40 0 FGABHN O=C(NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1)c1ccn[nH]1 ZINC000019293635 494440785 /nfs/dbraw/zinc/44/07/85/494440785.db2.gz BHCLOUCWJLBKMG-UHFFFAOYSA-N 0 3 370.472 3.255 40 0 FGABHN c1ccc2c(CN3CCC(c4nnc(-c5cnccn5)o4)CC3)ccnc2c1 ZINC000019376073 494443099 /nfs/dbraw/zinc/44/30/99/494443099.db2.gz TZMWOTPZBZPXMJ-UHFFFAOYSA-N 0 3 372.432 3.454 40 0 FGABHN O=C(CN1CCCCCC1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 ZINC000019405454 494445436 /nfs/dbraw/zinc/44/54/36/494445436.db2.gz XTCPYGYXIGNPIL-IBGZPJMESA-N 0 3 367.497 3.401 40 0 FGABHN CCN1C(=O)CCC[C@@H]2[C@H]1CCN2Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000019713130 494456596 /nfs/dbraw/zinc/45/65/96/494456596.db2.gz VETLLDICNFJSRV-RTBURBONSA-N 0 3 368.481 3.061 40 0 FGABHN COc1ccc(CN2CC[C@@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047047 494997958 /nfs/dbraw/zinc/99/79/58/494997958.db2.gz ZXWXGHIQCOTINM-JOCHJYFZSA-N 0 3 365.477 3.219 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CCN(C(=O)Cc2cccnc2)CC3)o1 ZINC000096047331 494998663 /nfs/dbraw/zinc/99/86/63/494998663.db2.gz RZIVAWYMEYLOLF-UHFFFAOYSA-N 0 3 367.493 3.430 40 0 FGABHN CNC(=O)C[C@@H]1CC2(CCN(Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096052578 495000242 /nfs/dbraw/zinc/00/02/42/495000242.db2.gz KSGGGCNLNGKGCR-QGZVFWFLSA-N 0 3 367.493 3.449 40 0 FGABHN COc1cccc(CN2CCC3(C2)CCN(C(=O)C2CC=CC2)CC3)c1 ZINC000096157465 495005458 /nfs/dbraw/zinc/00/54/58/495005458.db2.gz UENLCSHHCPYCOX-UHFFFAOYSA-N 0 3 354.494 3.476 40 0 FGABHN CN(Cc1cccnc1)C1CC2(C1)CCN(C(=O)c1cscn1)CC2 ZINC000096159249 495005751 /nfs/dbraw/zinc/00/57/51/495005751.db2.gz NHYMCODHUDPIQS-UHFFFAOYSA-N 0 3 356.495 3.055 40 0 FGABHN Cc1ccc(CN2CCc3cc(C(=O)N(C)C)c(NC(C)C)nc3CC2)o1 ZINC000096260430 495008973 /nfs/dbraw/zinc/00/89/73/495008973.db2.gz UGQSDSSVZBYBSL-UHFFFAOYSA-N 0 3 370.497 3.106 40 0 FGABHN Cc1cc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2cccs2)on1 ZINC000253599993 497345266 /nfs/dbraw/zinc/34/52/66/497345266.db2.gz BOGRBGYMYWSEAW-AWEZNQCLSA-N 0 3 367.478 3.453 40 0 FGABHN CN(Cc1ccc(OCCF)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257212998 497390726 /nfs/dbraw/zinc/39/07/26/497390726.db2.gz CFTVXMMKVNSIHM-LJQANCHMSA-N 0 3 356.441 3.483 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccccc3)C2)cc1 ZINC000257214080 497391631 /nfs/dbraw/zinc/39/16/31/497391631.db2.gz CKLDIGJYAVIGIJ-NRFANRHFSA-N 0 3 354.450 3.051 40 0 FGABHN Cc1ncsc1CN1CC[C@@H]2O[C@@](C)(COc3cccnc3)C[C@@H]2C1 ZINC000257220491 497391672 /nfs/dbraw/zinc/39/16/72/497391672.db2.gz DLAYYGYKCLUMGB-HHXXYDBFSA-N 0 3 359.495 3.295 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257227863 497393144 /nfs/dbraw/zinc/39/31/44/497393144.db2.gz FRGWSSCCQGFTND-HNNXBMFYSA-N 0 3 368.510 3.330 40 0 FGABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CN(C)C)C2)n1 ZINC000257225779 497393794 /nfs/dbraw/zinc/39/37/94/497393794.db2.gz FHTKTNBGVFAUCC-OAHLLOKOSA-N 0 3 356.445 3.150 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@@H]3CC=CCC3)CC2)nn1C ZINC000257234276 497394034 /nfs/dbraw/zinc/39/40/34/497394034.db2.gz GSVRWQBJGISZPS-KZNAEPCWSA-N 0 3 358.530 3.228 40 0 FGABHN Cc1cc2cc(C(=O)N3CCO[C@@H](c4cc(N)cc(C)n4)C3)ccc2o1 ZINC000257272271 497397477 /nfs/dbraw/zinc/39/74/77/497397477.db2.gz NBSLSNBSRZWXRO-LJQANCHMSA-N 0 3 351.406 3.241 40 0 FGABHN Fc1ccccc1CN1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291840 497399883 /nfs/dbraw/zinc/39/98/83/497399883.db2.gz QIVDPSITIOXHQF-HNNXBMFYSA-N 0 3 351.429 3.461 40 0 FGABHN CC(C)[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257317266 497402528 /nfs/dbraw/zinc/40/25/28/497402528.db2.gz VJBRXPGKXKKFIP-UZKILMIQSA-N 0 3 372.509 3.136 40 0 FGABHN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102051 507567871 /nfs/dbraw/zinc/56/78/71/507567871.db2.gz OPSRTHRDMXKSCO-RBBKRZOGSA-N 0 3 368.521 3.273 40 0 FGABHN CN1CCN(Cc2cncs2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000585261157 507579984 /nfs/dbraw/zinc/57/99/84/507579984.db2.gz UQDWREQTYJBZJL-MRXNPFEDSA-N 0 3 352.507 3.298 40 0 FGABHN Cc1ccncc1CN1CCC[C@@H](c2ccnc(Nc3cnccn3)c2)C1 ZINC000585182518 507580096 /nfs/dbraw/zinc/58/00/96/507580096.db2.gz XFPVNLKOMIXARD-GOSISDBHSA-N 0 3 360.465 3.120 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585285668 507587046 /nfs/dbraw/zinc/58/70/46/507587046.db2.gz RQHZJMFQQIZNBY-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN CCCCN[C@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001667307 204016308 /nfs/dbraw/zinc/01/63/08/204016308.db2.gz HVRXOTZKIFBAIX-UXHICEINSA-N 0 3 357.406 3.308 40 0 FGABHN CCOc1ccc(NC(=O)CCN2CCC(O)(c3ccccc3)CC2)cc1 ZINC000001726861 204018082 /nfs/dbraw/zinc/01/80/82/204018082.db2.gz ZOOCPGGPTLKXGE-UHFFFAOYSA-N 0 3 368.477 3.398 40 0 FGABHN CCN(CC)CCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 ZINC000001872287 204021640 /nfs/dbraw/zinc/02/16/40/204021640.db2.gz SWVOGYGBJDEOSK-UHFFFAOYSA-N 0 3 367.471 3.196 40 0 FGABHN CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@@H](C(=O)OCC)[C@H](C)N[C@@H]1C ZINC000005328093 204203474 /nfs/dbraw/zinc/20/34/74/204203474.db2.gz NEWAJILYNWSANI-WNCCPSPASA-N 0 3 367.873 3.162 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@@H]2C1 ZINC000036734783 204386664 /nfs/dbraw/zinc/38/66/64/204386664.db2.gz LPAQBXVYIBNNSL-LRXVAGHRSA-N 0 3 352.478 3.437 40 0 FGABHN CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cc(OC)cc(OC)c1 ZINC000008254553 206214275 /nfs/dbraw/zinc/21/42/75/206214275.db2.gz KJTANPQTPGUKEA-OFQRWUPVSA-N 0 3 363.527 3.111 40 0 biogenic,in-vitro FGABHN c1coc(CN2C[C@H]3CN(c4ncccn4)CC[C@@]3(c3ccccc3)C2)c1 ZINC000096083306 132218663 /nfs/dbraw/zinc/21/86/63/132218663.db2.gz BHOFFDZNVARFKO-UGKGYDQZSA-N 0 3 360.461 3.350 40 0 FGABHN COc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000002763662 493818185 /nfs/dbraw/zinc/81/81/85/493818185.db2.gz JEXTZQCTSOIZIM-LJQANCHMSA-N 0 3 366.461 3.194 40 0 FGABHN CCN1CCN(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1 ZINC000006953415 493989555 /nfs/dbraw/zinc/98/95/55/493989555.db2.gz SSYHVZUNDDYWRN-UHFFFAOYSA-N 0 3 363.505 3.023 40 0 FGABHN COc1ccc(-c2c(C)nn3c2nc(C)c(C)c3NCCN(C)C)cc1 ZINC000072341716 494154645 /nfs/dbraw/zinc/15/46/45/494154645.db2.gz QVQCPRLXPQYGEP-UHFFFAOYSA-N 0 3 353.470 3.304 40 0 FGABHN CCc1ncc(CN2C[C@H]3CCC[C@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000072340981 494155082 /nfs/dbraw/zinc/15/50/82/494155082.db2.gz RAEYJWJNGGKLRB-JUXOCIIHSA-N 0 3 367.493 3.167 40 0 FGABHN C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCCC1 ZINC000012087814 494202758 /nfs/dbraw/zinc/20/27/58/494202758.db2.gz QJUQFUIRMHQWBC-OAHLLOKOSA-N 0 3 352.482 3.007 40 0 FGABHN CCCOc1ccccc1CN1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012117024 494205786 /nfs/dbraw/zinc/20/57/86/494205786.db2.gz KEZNMZKTSSOTKA-HTZLVSCSSA-N 0 3 355.482 3.224 40 0 FGABHN COc1cccc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)c1 ZINC000012121492 494207320 /nfs/dbraw/zinc/20/73/20/494207320.db2.gz GHMMKJKKRYZLNJ-UHFFFAOYSA-N 0 3 351.454 3.008 40 0 FGABHN O[C@@]1(c2ccccc2)CCN(Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241347 494217208 /nfs/dbraw/zinc/21/72/08/494217208.db2.gz NENIBONWCBTBBS-UNMCSNQZSA-N 0 3 353.462 3.338 40 0 FGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@@H](C)O4)CC2)c1 ZINC000012361312 494226386 /nfs/dbraw/zinc/22/63/86/494226386.db2.gz LOGIFICAZOISOG-DYESRHJHSA-N 0 3 367.489 3.335 40 0 FGABHN C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000019575924 494451530 /nfs/dbraw/zinc/45/15/30/494451530.db2.gz ZIENODVQWPXTOT-NWANDNLSSA-N 0 3 364.848 3.378 40 0 FGABHN CCN(C)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C2(C1)CCCCC2 ZINC000019704918 494455475 /nfs/dbraw/zinc/45/54/75/494455475.db2.gz DJUIPWZGTUVHCG-INIZCTEOSA-N 0 3 354.491 3.243 40 0 FGABHN Cc1cccc(CN(C)Cc2cc(N(C)C)nc([C@H]3CCCCN3)n2)c1 ZINC000019709864 494456439 /nfs/dbraw/zinc/45/64/39/494456439.db2.gz SJEBAFDTWGFOBG-LJQANCHMSA-N 0 3 353.514 3.298 40 0 FGABHN COc1ccc(CN2CCC3(CC2)CN(c2ccsc2)C(=O)CO3)cc1 ZINC000096049251 494999725 /nfs/dbraw/zinc/99/97/25/494999725.db2.gz SQDWBEDUQBQMPN-UHFFFAOYSA-N 0 3 372.490 3.155 40 0 FGABHN O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1Cc1cccnc1 ZINC000096049378 495000174 /nfs/dbraw/zinc/00/01/74/495000174.db2.gz BNOIPFYDWXFANV-UHFFFAOYSA-N 0 3 353.441 3.378 40 0 FGABHN Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@@H]3C2)c1 ZINC000096054588 495000290 /nfs/dbraw/zinc/00/02/90/495000290.db2.gz ZYPHREITWGMBIL-DBVUQKKJSA-N 0 3 353.466 3.356 40 0 FGABHN FC(F)(F)c1ccc(CNC[C@H]2COCc3nc4cccnc4n32)cc1 ZINC000096112794 495001873 /nfs/dbraw/zinc/00/18/73/495001873.db2.gz DBWFKLZERHBDOU-AWEZNQCLSA-N 0 3 362.355 3.311 40 0 biogenic,in-vitro FGABHN COc1ccccc1CN1CCC2(C[C@@H](Oc3ccccn3)CO2)CC1 ZINC000096106997 495002022 /nfs/dbraw/zinc/00/20/22/495002022.db2.gz BQOWMKGDRQKYDX-GOSISDBHSA-N 0 3 354.450 3.293 40 0 FGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228736 495007511 /nfs/dbraw/zinc/00/75/11/495007511.db2.gz VVHIYJKMENPWBG-OAQYLSRUSA-N 0 3 355.482 3.131 40 0 FGABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215625 495007995 /nfs/dbraw/zinc/00/79/95/495007995.db2.gz AAUFDWDIEWHLSZ-NRFANRHFSA-N 0 3 353.466 3.152 40 0 FGABHN CN1CCC2(CC1)CN(C(=O)c1ccc3c(c1)OCO3)Cc1ccccc12 ZINC000096242397 495008858 /nfs/dbraw/zinc/00/88/58/495008858.db2.gz SFNNNSSHAIVIRS-UHFFFAOYSA-N 0 3 364.445 3.035 40 0 FGABHN CC(C)CN1CCC(O)(c2csc(CN(C)Cc3cccnc3)n2)CC1 ZINC000225475937 497063580 /nfs/dbraw/zinc/06/35/80/497063580.db2.gz XFZTXIUTWMCUHS-UHFFFAOYSA-N 0 3 374.554 3.110 40 0 biogenic,in-vitro FGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000242548446 497354791 /nfs/dbraw/zinc/35/47/91/497354791.db2.gz LLXDYWCPBMVTED-JYJNAYRXSA-N 0 3 355.523 3.043 40 0 FGABHN COCC(=O)N1CCC[C@H](c2cc(Nc3cccc(OC)c3)cc(C)n2)C1 ZINC000257213665 497392362 /nfs/dbraw/zinc/39/23/62/497392362.db2.gz CIPODUQYFLWTIE-INIZCTEOSA-N 0 3 369.465 3.495 40 0 FGABHN O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(Cc1ccc(F)cc1)CC2 ZINC000257282463 497399629 /nfs/dbraw/zinc/39/96/29/497399629.db2.gz OTVRJWJNKWNCAD-UXHICEINSA-N 0 3 368.452 3.030 40 0 FGABHN Cc1ncsc1CN1CCC[C@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285720 497399827 /nfs/dbraw/zinc/39/98/27/497399827.db2.gz PILRLYXGYHVKHR-AWEZNQCLSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1ncsc1CN1CCC(Cc2nccnc2-c2ncc[nH]2)CC1 ZINC000257307357 497400543 /nfs/dbraw/zinc/40/05/43/497400543.db2.gz SYHOJKWBOXPSEQ-UHFFFAOYSA-N 0 3 354.483 3.086 40 0 FGABHN c1ccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)nc1 ZINC000306133190 498740490 /nfs/dbraw/zinc/74/04/90/498740490.db2.gz MEPIFNKOSHINJH-SFHVURJKSA-N 0 3 356.433 3.176 40 0 FGABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC000306137384 498741059 /nfs/dbraw/zinc/74/10/59/498741059.db2.gz QUZBAERCXANCEC-IBGZPJMESA-N 0 3 371.525 3.052 40 0 FGABHN c1ccc(CN2C[C@@]3(CCN(Cc4ccncc4)C3)c3ncccc32)nc1 ZINC000306145049 498743505 /nfs/dbraw/zinc/74/35/05/498743505.db2.gz ZWBQWKFXPCZHJN-QFIPXVFZSA-N 0 3 357.461 3.036 40 0 FGABHN CN(CCN1CCCCC1)C(=O)[C@@](O)(c1ccccc1)C1CCCCC1 ZINC000005048107 204188625 /nfs/dbraw/zinc/18/86/25/204188625.db2.gz DKIBIYZRPUJJPU-JOCHJYFZSA-N 0 3 358.526 3.399 40 0 FGABHN CCOc1cc(CNCCN(C)C)c(Br)cc1OC(C)C ZINC000022945085 206335296 /nfs/dbraw/zinc/33/52/96/206335296.db2.gz CEQRZAMHOFPJND-UHFFFAOYSA-N 0 3 359.308 3.286 40 0 FGABHN CCOC[C@]1(CN)[C@@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542447 206372564 /nfs/dbraw/zinc/37/25/64/206372564.db2.gz XFDUMIFOQNTHGJ-PCCBWWKXSA-N 0 3 373.518 3.170 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1c(C)cccc1C ZINC000001710852 493798124 /nfs/dbraw/zinc/79/81/24/493798124.db2.gz MDXUMQALCQXJNR-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000035622939 494081375 /nfs/dbraw/zinc/08/13/75/494081375.db2.gz ASGBDICQONEGBH-CABCVRRESA-N 0 3 373.419 3.304 40 0 FGABHN NC(=O)c1cccc(-c2nccnc2[C@@H]2CCCN(Cc3cccnc3)C2)c1 ZINC000072358583 494157005 /nfs/dbraw/zinc/15/70/05/494157005.db2.gz AWDTVYYWYIEXNU-LJQANCHMSA-N 0 3 373.460 3.017 40 0 FGABHN Cn1cc(CN2CCC[C@@H](c3nccnc3-c3ccccc3F)C2)cn1 ZINC000072359054 494157263 /nfs/dbraw/zinc/15/72/63/494157263.db2.gz ZCSYABASUBCBGQ-MRXNPFEDSA-N 0 3 351.429 3.396 40 0 FGABHN Cn1cc(CN2CCC[C@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000072359055 494157407 /nfs/dbraw/zinc/15/74/07/494157407.db2.gz JBMOMZHHQROTGJ-KRWDZBQOSA-N 0 3 351.429 3.396 40 0 FGABHN Cc1cccc(Oc2cncc([C@H]3CCCN(C(=O)C(C)(C)N)C3)n2)c1 ZINC000072363073 494158833 /nfs/dbraw/zinc/15/88/33/494158833.db2.gz YICOZZKRCFKCEZ-HNNXBMFYSA-N 0 3 354.454 3.021 40 0 FGABHN C[C@H](C(=O)N1CCC(c2nc3ccccc3cc2N)CC1)N1CCCCC1 ZINC000012087809 494202244 /nfs/dbraw/zinc/20/22/44/494202244.db2.gz HEGHOCZGFYDIJZ-MRXNPFEDSA-N 0 3 366.509 3.397 40 0 FGABHN O=C(N[C@H](c1nccs1)[C@H]1CCCN(CC2CC2)C1)c1ccccn1 ZINC000012365842 494227795 /nfs/dbraw/zinc/22/77/95/494227795.db2.gz SEYSFPTUOOVIPS-RDJZCZTQSA-N 0 3 356.495 3.131 40 0 FGABHN O=C(N[C@@H](c1nccs1)[C@@H]1CCCN(CC2CC2)C1)c1ccccn1 ZINC000012365841 494227872 /nfs/dbraw/zinc/22/78/72/494227872.db2.gz SEYSFPTUOOVIPS-NVXWUHKLSA-N 0 3 356.495 3.131 40 0 FGABHN Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)N(C)CCN(C)C)s1 ZINC000019240600 494440056 /nfs/dbraw/zinc/44/00/56/494440056.db2.gz ZWQVQGZVBDWDSI-UHFFFAOYSA-N 0 3 351.903 3.334 40 0 FGABHN O=C(c1cc2c(s1)CCCC2)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019292483 494440924 /nfs/dbraw/zinc/44/09/24/494440924.db2.gz LAXNKQWXILVKNU-MRXNPFEDSA-N 0 3 368.506 3.040 40 0 FGABHN CC(C)Oc1cccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)c1 ZINC000019450897 494445312 /nfs/dbraw/zinc/44/53/12/494445312.db2.gz XOTHNHHRAOICBU-HXUWFJFHSA-N 0 3 352.482 3.247 40 0 FGABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3ccc(OC)cc3)C2)no1 ZINC000019503689 494446542 /nfs/dbraw/zinc/44/65/42/494446542.db2.gz MZFMWSCBBSZFSR-INIZCTEOSA-N 0 3 357.454 3.203 40 0 FGABHN CCc1ncc(CN[C@@H]2CCCN(C(C)=O)[C@H]2c2ccc(C)s2)cn1 ZINC000019523467 494448035 /nfs/dbraw/zinc/44/80/35/494448035.db2.gz NVXAXDCYPKCLHJ-VQIMIIECSA-N 0 3 358.511 3.251 40 0 FGABHN Cc1nc(-c2cncnc2[C@@H]2CCN(Cc3ccccc3Cl)C2)no1 ZINC000019693790 494454535 /nfs/dbraw/zinc/45/45/35/494454535.db2.gz HEVZDHBFWWWYQR-CQSZACIVSA-N 0 3 355.829 3.478 40 0 FGABHN COc1cccc(CN2CCC3(CCN(C(=O)c4cc(C)on4)C3)CC2)c1 ZINC000096046639 494998977 /nfs/dbraw/zinc/99/89/77/494998977.db2.gz FGSNESOPPOOJBL-UHFFFAOYSA-N 0 3 369.465 3.120 40 0 FGABHN O=C1CCC2(CCN(Cc3ccc(F)cc3)CC2)N1Cc1ccncc1 ZINC000096049394 495000249 /nfs/dbraw/zinc/00/02/49/495000249.db2.gz GOADNJOTOPJARY-UHFFFAOYSA-N 0 3 353.441 3.378 40 0 FGABHN O=C(c1ccccc1)N1CCOC2(CCN(Cc3cccs3)CC2)C1 ZINC000096048999 495000319 /nfs/dbraw/zinc/00/03/19/495000319.db2.gz LJRYRKKXCQCOTK-UHFFFAOYSA-N 0 3 356.491 3.255 40 0 FGABHN Cc1ccc(CN2C[C@H]3[C@H](CC[C@@]34NC(c3ccccc3)=NC4=O)C2)s1 ZINC000096087554 495001046 /nfs/dbraw/zinc/00/10/46/495001046.db2.gz BHXPKMQXTSBESX-PLMTUMEDSA-N 0 3 365.502 3.214 40 0 FGABHN CC(=O)Nc1ccc(CNC[C@H]2COCc3nc4cc(C)ccc4n32)cc1 ZINC000096112813 495002122 /nfs/dbraw/zinc/00/21/22/495002122.db2.gz HNZLXXUUPRWTQD-SFHVURJKSA-N 0 3 364.449 3.164 40 0 biogenic,in-vitro FGABHN CN(C)[C@@H]1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)C1 ZINC000096146502 495004636 /nfs/dbraw/zinc/00/46/36/495004636.db2.gz VDHMWIYSFHNSKA-MRXNPFEDSA-N 0 3 364.493 3.319 40 0 FGABHN Cc1cc(C)cc(CN2CCC3(CCN(c4cncnc4)C3=O)CC2)c1 ZINC000096157916 495005545 /nfs/dbraw/zinc/00/55/45/495005545.db2.gz SFWDVZFFSFVEEL-UHFFFAOYSA-N 0 3 350.466 3.113 40 0 FGABHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(CC3CCCCC3)C2)C1 ZINC000096226093 495007390 /nfs/dbraw/zinc/00/73/90/495007390.db2.gz RNHPNNPQRBIJBS-NRFANRHFSA-N 0 3 373.472 3.243 40 0 FGABHN O=C(c1cccc(Cl)c1)N1Cc2cncn2[C@H](CN2CCCCC2)C1 ZINC000247940851 496930119 /nfs/dbraw/zinc/93/01/19/496930119.db2.gz PPOVFFDHNLEEPW-GOSISDBHSA-N 0 3 358.873 3.220 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000253606586 497345503 /nfs/dbraw/zinc/34/55/03/497345503.db2.gz VKTJQXSXGKQACM-LRQRDZAKSA-N 0 3 355.457 3.298 40 0 FGABHN CN1CCC(Cc2ccccc2F)(C(=O)N2CCC(F)(F)CC2)CC1 ZINC000257225160 497392433 /nfs/dbraw/zinc/39/24/33/497392433.db2.gz FFCOJIIOGMMWNY-UHFFFAOYSA-N 0 3 354.416 3.338 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@H](Cc2cccc3ncccc23)C1 ZINC000257286236 497399369 /nfs/dbraw/zinc/39/93/69/497399369.db2.gz PKVASMSXXAVPRV-MRXNPFEDSA-N 0 3 352.507 3.298 40 0 FGABHN Cc1ccc(-c2cnc3n2C[C@]2(CCN(Cc4ccncc4)C2)OC3)cc1 ZINC000306133139 498738414 /nfs/dbraw/zinc/73/84/14/498738414.db2.gz MDBRDYGOVNYVNN-JOCHJYFZSA-N 0 3 360.461 3.428 40 0 FGABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(C(=O)c3cc(C)nc(C)c3)C2)C1 ZINC000306137385 498740845 /nfs/dbraw/zinc/74/08/45/498740845.db2.gz QUZBAERCXANCEC-LJQANCHMSA-N 0 3 371.525 3.052 40 0 FGABHN O=C(NCc1ccccc1)N1CC[C@@H]2CCN(Cc3ccccn3)CC[C@H]21 ZINC000306138904 498741010 /nfs/dbraw/zinc/74/10/10/498741010.db2.gz SKLJXMCNLZCWGI-PZJWPPBQSA-N 0 3 364.493 3.278 40 0 FGABHN O=C(COc1ccc(C2SCCS2)cc1)NCCN1CCCCC1 ZINC000408567326 499592496 /nfs/dbraw/zinc/59/24/96/499592496.db2.gz CYCFQJNHKVBIQE-UHFFFAOYSA-N 0 3 366.552 3.146 40 0 FGABHN Cc1ccsc1CN1Cc2cccn2C[C@H](CC(=O)NCC2CC2)C1 ZINC000585099002 507566870 /nfs/dbraw/zinc/56/68/70/507566870.db2.gz AJAMKVMODURMQO-QGZVFWFLSA-N 0 3 357.523 3.406 40 0 FGABHN Cc1ccc2cc(CNC[C@@H](O)COc3cccc(C)c3C)c(=O)[nH]c2c1 ZINC000585286194 507586859 /nfs/dbraw/zinc/58/68/59/507586859.db2.gz XAONUVNLPHIIDF-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN Cc1n[nH]cc1CNC[C@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345940 571151345 /nfs/dbraw/zinc/15/13/45/571151345.db2.gz HDGTZOPTTLHZRO-GOSISDBHSA-N 0 3 362.905 3.313 40 0 FGABHN O=C1N(C[C@@H]2CCCO2)c2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000109754235 209311588 /nfs/dbraw/zinc/31/15/88/209311588.db2.gz MGOZBLFOQYYEPH-SFHVURJKSA-N 0 3 366.461 3.339 40 0 FGABHN Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000107717913 209279541 /nfs/dbraw/zinc/27/95/41/209279541.db2.gz WYJXDRQOHOWFQC-PWIZWCRZSA-N 0 3 351.450 3.008 40 0 FGABHN CN(C)C(=O)N1CCOC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096243977 209142846 /nfs/dbraw/zinc/14/28/46/209142846.db2.gz DLGNLQQUAXMSNI-UHFFFAOYSA-N 0 3 369.465 3.289 40 0 FGABHN CCC(CC)CN1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226100 209139426 /nfs/dbraw/zinc/13/94/26/209139426.db2.gz UVUIJHWYDZTCGQ-FQEVSTJZSA-N 0 3 361.461 3.099 40 0 FGABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000096215632 209136017 /nfs/dbraw/zinc/13/60/17/209136017.db2.gz IMCFYVIVQKZEHD-QFIPXVFZSA-N 0 3 365.477 3.219 40 0 FGABHN O=C1N(Cc2cccc(F)c2)CCC12CCN(Cc1ccccn1)CC2 ZINC000096157993 209126534 /nfs/dbraw/zinc/12/65/34/209126534.db2.gz JDYUIGGDKPITQQ-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN O=c1ccc2c(n1Cc1cccnc1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096086862 209110277 /nfs/dbraw/zinc/11/02/77/209110277.db2.gz QFBSLTWUGZMWOL-UHFFFAOYSA-N 0 3 363.436 3.032 40 0 FGABHN COc1cc(CN2C[C@@H]3CC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)ccc1O ZINC000036739984 207291274 /nfs/dbraw/zinc/29/12/74/207291274.db2.gz VIWZXVCCPCEWEL-KLHJMIIUSA-N 0 3 357.425 3.270 40 0 FGABHN COc1cccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)c1 ZINC000012187330 207346628 /nfs/dbraw/zinc/34/66/28/207346628.db2.gz QUFNKVBIQPKKOA-UHFFFAOYSA-N 0 3 365.437 3.223 40 0 FGABHN CC[C@H](CN1CCC(C)CC1)NC(=O)Cc1cc(C(C)=O)ccc1OC ZINC000012239886 207351408 /nfs/dbraw/zinc/35/14/08/207351408.db2.gz AMTWTTGYTSHQHP-LJQANCHMSA-N 0 3 360.498 3.067 40 0 FGABHN COc1cccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000012329997 207362380 /nfs/dbraw/zinc/36/23/80/207362380.db2.gz QRNVFCBDGINPCI-VQTJNVASSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1ccc(C2(C(=O)N3Cc4ccccc4OC[C@@H]3CN(C)C)CC2)cc1 ZINC000012366137 207366409 /nfs/dbraw/zinc/36/64/09/207366409.db2.gz RSTMQBUPJUNJLI-FQEVSTJZSA-N 0 3 364.489 3.378 40 0 FGABHN COc1ccc(C)cc1CN1CCC2(CC1)OCCc1cnc(C)nc12 ZINC000019133380 207644671 /nfs/dbraw/zinc/64/46/71/207644671.db2.gz RRHHHUVBYAVYJC-UHFFFAOYSA-N 0 3 353.466 3.166 40 0 FGABHN COC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c1 ZINC000030946488 208007561 /nfs/dbraw/zinc/00/75/61/208007561.db2.gz OBBYTMZDPCAYJL-KRWDZBQOSA-N 0 3 370.424 3.463 40 0 FGABHN Cc1cccc(NC(=O)CC2C(=O)N(C3CC3)c3nc4ccccc4n32)c1 ZINC000039964104 208213685 /nfs/dbraw/zinc/21/36/85/208213685.db2.gz PTHGSKZZHVDINL-GOSISDBHSA-N 0 3 360.417 3.424 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2ccccn2)CCO3)s1 ZINC000096048959 209102115 /nfs/dbraw/zinc/10/21/15/209102115.db2.gz VWONISCDTRXAMM-UHFFFAOYSA-N 0 3 357.523 3.319 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@@H](CC(=O)NC(C)C)CO3)CC2)s1 ZINC000096048165 209100582 /nfs/dbraw/zinc/10/05/82/209100582.db2.gz KKOYQXPZGHKOGG-MRXNPFEDSA-N 0 3 350.528 3.342 40 0 FGABHN CCCCN[C@@H](c1ccc2c(c1)OCO2)[C@H](O)c1ccc2c(c1)OCO2 ZINC000001667304 493798250 /nfs/dbraw/zinc/79/82/50/493798250.db2.gz HVRXOTZKIFBAIX-VQTJNVASSA-N 0 3 357.406 3.308 40 0 FGABHN Cc1ccc(O[C@@H](C)C(=O)N(C[C@@H]2CCCO2)C2CCN(C)CC2)cc1C ZINC000019214099 494437926 /nfs/dbraw/zinc/43/79/26/494437926.db2.gz BEHWTJNHLGZWKZ-RXVVDRJESA-N 0 3 374.525 3.173 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019335711 494441638 /nfs/dbraw/zinc/44/16/38/494441638.db2.gz UWZKAFLFVDFFGK-CQSZACIVSA-N 0 3 353.397 3.487 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1 ZINC000019335711 494441642 /nfs/dbraw/zinc/44/16/42/494441642.db2.gz UWZKAFLFVDFFGK-CQSZACIVSA-N 0 3 353.397 3.487 40 0 FGABHN O=C1NC2(CCN(Cc3ccc4ncccc4c3)CC2)Nc2ccccc21 ZINC000019374671 494443788 /nfs/dbraw/zinc/44/37/88/494443788.db2.gz DXNBSTRIJMTLER-UHFFFAOYSA-N 0 3 358.445 3.382 40 0 FGABHN CC(C)n1nnnc1[C@H](c1ccc(F)cc1)N1CCN(C2CCCC2)CC1 ZINC000019454638 494445111 /nfs/dbraw/zinc/44/51/11/494445111.db2.gz KIVYCCZHJVYDQL-IBGZPJMESA-N 0 3 372.492 3.043 40 0 FGABHN CNc1cc([C@H]2CCCN(Cc3ccccn3)C2)nc(-c2ccncc2)n1 ZINC000019592283 494451435 /nfs/dbraw/zinc/45/14/35/494451435.db2.gz RNVXMSXQWDTYDZ-KRWDZBQOSA-N 0 3 360.465 3.355 40 0 FGABHN COc1ccc([C@H]2CN(C)[C@@H]3CCCN(C(=O)Cc4ccccc4)[C@@H]32)cc1 ZINC000019590787 494451878 /nfs/dbraw/zinc/45/18/78/494451878.db2.gz AMHBKYXWMCRWKR-MQSCRBSSSA-N 0 3 364.489 3.327 40 0 FGABHN O=C(c1cc(-n2cccn2)ccc1Cl)N1CCC[C@H](N2CCCC2)C1 ZINC000019715121 494457168 /nfs/dbraw/zinc/45/71/68/494457168.db2.gz KUGRMKMCPZYGAH-INIZCTEOSA-N 0 3 358.873 3.226 40 0 FGABHN Cc1cc(C(=O)N2CC3(C2)CC[C@@H](CN(C)Cc2ccco2)CO3)c(C)o1 ZINC000248085951 496954067 /nfs/dbraw/zinc/95/40/67/496954067.db2.gz DNHWSJSMPKFMTL-KRWDZBQOSA-N 0 3 372.465 3.243 40 0 FGABHN CCOC[C@]1(CN)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218542280 497003679 /nfs/dbraw/zinc/00/36/79/497003679.db2.gz XFDUMIFOQNTHGJ-QHAWAJNXSA-N 0 3 373.518 3.170 40 0 FGABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 ZINC000225742758 497073735 /nfs/dbraw/zinc/07/37/35/497073735.db2.gz LYQTUHJWWPEBEM-UHFFFAOYSA-N 0 3 369.490 3.150 40 0 FGABHN Cc1cccc(C(=O)N2CCN(C)C[C@H](Cc3cccc4cccnc43)C2)n1 ZINC000257224081 497391946 /nfs/dbraw/zinc/39/19/46/497391946.db2.gz FAFHNQXLXXIHPI-SFHVURJKSA-N 0 3 374.488 3.185 40 0 FGABHN Cc1c(CN2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)cnn1C ZINC000257275492 497397767 /nfs/dbraw/zinc/39/77/67/497397767.db2.gz NPPQWWPKSUBPKV-JRGCBEDISA-N 0 3 355.482 3.177 40 0 FGABHN CN1CCN(Cc2ccc(F)cn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257273621 497398428 /nfs/dbraw/zinc/39/84/28/497398428.db2.gz NHLJLZWMQZVLKA-QGZVFWFLSA-N 0 3 364.468 3.375 40 0 FGABHN CN1CCN(Cc2ccc(F)cn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257273620 497398444 /nfs/dbraw/zinc/39/84/44/497398444.db2.gz NHLJLZWMQZVLKA-KRWDZBQOSA-N 0 3 364.468 3.375 40 0 FGABHN Fc1ccc(CN2CC[C@@H](c3ccnc(Nc4cnccn4)n3)C2)cc1 ZINC000257315341 497402739 /nfs/dbraw/zinc/40/27/39/497402739.db2.gz VAWQXYURIQXDJO-OAHLLOKOSA-N 0 3 350.401 3.139 40 0 FGABHN COc1ncccc1CN1C[C@@H]2Cn3c(-c4ccccc4)cnc3C[C@@H]2C1 ZINC000306129167 498737671 /nfs/dbraw/zinc/73/76/71/498737671.db2.gz HWGOUQUQAYZHKI-RTBURBONSA-N 0 3 360.461 3.258 40 0 FGABHN COc1ncccc1CN1C[C@@H]2Cc3ncc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129165 498738042 /nfs/dbraw/zinc/73/80/42/498738042.db2.gz HWGOUQUQAYZHKI-OALUTQOASA-N 0 3 360.461 3.258 40 0 FGABHN Cc1ccc(Cl)c(C)c1Nc1cc(C2CC2)nc(NCCN(C)C)n1 ZINC000329008510 499013339 /nfs/dbraw/zinc/01/33/39/499013339.db2.gz LRSRUEGJLVGSSO-UHFFFAOYSA-N 0 3 359.905 3.185 40 0 FGABHN COc1ccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408613184 499593223 /nfs/dbraw/zinc/59/32/23/499593223.db2.gz XUZMREQUMNVBEO-HXUWFJFHSA-N 0 3 350.462 3.358 40 0 FGABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383138 506809386 /nfs/dbraw/zinc/80/93/86/506809386.db2.gz OYLNTXTUFZDPQX-CMKODMSKSA-N 0 3 362.539 3.331 40 0 biogenic,in-vitro FGABHN Cc1ccc(C2(C(=O)N3CCC[C@@]4(CCN4C[C@H]4CCCO4)C3)CC2)cc1 ZINC000585102049 507567372 /nfs/dbraw/zinc/56/73/72/507567372.db2.gz OPSRTHRDMXKSCO-IFMALSPDSA-N 0 3 368.521 3.273 40 0 FGABHN C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103074 507567405 /nfs/dbraw/zinc/56/74/05/507567405.db2.gz CDAIHZRRAVLUQB-YLJYHZDGSA-N 0 3 372.509 3.135 40 0 FGABHN C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103074 507567414 /nfs/dbraw/zinc/56/74/14/507567414.db2.gz CDAIHZRRAVLUQB-YLJYHZDGSA-N 0 3 372.509 3.135 40 0 FGABHN Cc1ccccc1CN1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 ZINC000585104085 507570488 /nfs/dbraw/zinc/57/04/88/507570488.db2.gz IWLDMHNSYXEZDR-QFIPXVFZSA-N 0 3 368.452 3.390 40 0 FGABHN C[C@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585105028 507570777 /nfs/dbraw/zinc/57/07/77/507570777.db2.gz YWLPSBFEKCPUKP-AUSIDOKSSA-N 0 3 364.489 3.499 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 ZINC000585283260 507583623 /nfs/dbraw/zinc/58/36/23/507583623.db2.gz DTFWSEVZRHFHOS-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN Cc1cccc(Nc2cc([C@@H]3CCCN(Cc4cnc[nH]4)C3)nc(C)n2)n1 ZINC000257343790 210004217 /nfs/dbraw/zinc/00/42/17/210004217.db2.gz ZUKSYJJAQHOMGL-MRXNPFEDSA-N 0 3 363.469 3.335 40 0 FGABHN CC(C)N1CCN(c2ccc3ccc(C(=O)N4CCCCC4)cn32)CC1 ZINC000096267414 209147052 /nfs/dbraw/zinc/14/70/52/209147052.db2.gz XMEXOJRLTSMDGB-UHFFFAOYSA-N 0 3 354.498 3.096 40 0 FGABHN O=C(NC1CCCC1)c1ccc2ccc(N3CCN(CC4CC4)CC3)n2c1 ZINC000096155916 209126373 /nfs/dbraw/zinc/12/63/73/209126373.db2.gz QHUHJCVZIVGZRP-UHFFFAOYSA-N 0 3 366.509 3.144 40 0 FGABHN CN(C)CCNC(=O)C12CC3(Br)C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000005043931 207075108 /nfs/dbraw/zinc/07/51/08/207075108.db2.gz ZIEXGWQEHSHNLR-RYTJFDOTSA-N 0 3 357.336 3.178 40 0 FGABHN CC(C)Oc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000012220300 207349345 /nfs/dbraw/zinc/34/93/45/207349345.db2.gz BEFZVXRNKXYLSM-QIDMFYOTSA-N 0 3 369.509 3.327 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)c1ccc(C)nc1)CC1(CCN(C)CC1)O2 ZINC000012228276 207350562 /nfs/dbraw/zinc/35/05/62/207350562.db2.gz FIDRCDJFOCLQDL-UHFFFAOYSA-N 0 3 365.477 3.198 40 0 FGABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccccc1 ZINC000012329265 207362323 /nfs/dbraw/zinc/36/23/23/207362323.db2.gz XFDAIEMYKLXDJO-RTBURBONSA-N 0 3 357.425 3.210 40 0 FGABHN COC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038835137 208205419 /nfs/dbraw/zinc/20/54/19/208205419.db2.gz HKJLJHQQCXZBRJ-QGZVFWFLSA-N 0 3 370.424 3.463 40 0 FGABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048048 209100087 /nfs/dbraw/zinc/10/00/87/209100087.db2.gz OKBOQWBGXBHNDZ-LJQANCHMSA-N 0 3 357.523 3.399 40 0 FGABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccc(C)n4)C[C@H]3C2)s1 ZINC000096055088 209102684 /nfs/dbraw/zinc/10/26/84/209102684.db2.gz URJOYYSFRMYGFF-RBUKOAKNSA-N 0 3 357.523 3.235 40 0 FGABHN O=C1N(Cc2cccnc2)CC[C@]12CCCN(Cc1ccc(F)cc1)C2 ZINC000096048624 209100768 /nfs/dbraw/zinc/10/07/68/209100768.db2.gz UVQJPEYUAQYYPN-NRFANRHFSA-N 0 3 353.441 3.235 40 0 FGABHN COc1ccc(CN2CCC3(CCN(Cc4ccccn4)C3=O)CC2)cc1 ZINC000096046900 209100723 /nfs/dbraw/zinc/10/07/23/209100723.db2.gz QEMBEFQRDOVROQ-UHFFFAOYSA-N 0 3 365.477 3.105 40 0 FGABHN CC(C)(C)c1nc2c(nnn2C2CC[NH+](Cc3ccccc3)CC2)c(=O)[n-]1 ZINC000072337619 208834837 /nfs/dbraw/zinc/83/48/37/208834837.db2.gz MNDYRJOZWYENEI-UHFFFAOYSA-N 0 3 366.469 3.062 40 0 FGABHN c1ccc(-c2nc3c(nc(-c4ccccc4)nc3N3CCNCC3)o2)cc1 ZINC000053994360 136125050 /nfs/dbraw/zinc/12/50/50/136125050.db2.gz VZMOALNAVCNQIF-UHFFFAOYSA-N 0 3 357.417 3.361 40 0 FGABHN Cc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1C ZINC000008215700 263353088 /nfs/dbraw/zinc/35/30/88/263353088.db2.gz SYAUBRIALUEHBB-HXUWFJFHSA-N 0 3 361.445 3.249 40 0 FGABHN COc1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3C)C2)cc1 ZINC000072350514 494155724 /nfs/dbraw/zinc/15/57/24/494155724.db2.gz LBRLJUXAEJVIQX-GOSISDBHSA-N 0 3 363.465 3.359 40 0 FGABHN CCOc1ccc([C@@H](O)CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012292356 494219131 /nfs/dbraw/zinc/21/91/31/494219131.db2.gz QGDBVPNSAZMHIL-FQEVSTJZSA-N 0 3 359.441 3.241 40 0 FGABHN COc1ccccc1CN1CCC(c2cc(N)n3nc(C)cc3n2)CC1 ZINC000019129427 494435642 /nfs/dbraw/zinc/43/56/42/494435642.db2.gz HYRSZTNORSLSDF-UHFFFAOYSA-N 0 3 351.454 3.008 40 0 FGABHN CC(C)Oc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 ZINC000019450895 494445080 /nfs/dbraw/zinc/44/50/80/494445080.db2.gz XOTHNHHRAOICBU-FQEVSTJZSA-N 0 3 352.482 3.247 40 0 FGABHN CCOc1ccc(CN2CCC[C@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522503 494447350 /nfs/dbraw/zinc/44/73/50/494447350.db2.gz IOHVLZHQNJBHTN-INIZCTEOSA-N 0 3 371.481 3.119 40 0 FGABHN COc1ccc2c(c1)C(=O)NC[C@H]([C@@H]1CCCN(Cc3ccccc3)C1)O2 ZINC000019562120 494449985 /nfs/dbraw/zinc/44/99/85/494449985.db2.gz WBKXQMHJBQCHOG-DYESRHJHSA-N 0 3 366.461 3.098 40 0 FGABHN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccccc1F)C2 ZINC000096269418 495009705 /nfs/dbraw/zinc/00/97/05/495009705.db2.gz AMQIRKAZIUNONS-INIZCTEOSA-N 0 3 367.424 3.386 40 0 biogenic,in-vitro FGABHN c1ccc(OCC[C@H]2CCOC23CCN(Cc2cccnc2)CC3)nc1 ZINC000253602301 497345957 /nfs/dbraw/zinc/34/59/57/497345957.db2.gz MZKQQZIVYCMPRP-IBGZPJMESA-N 0 3 353.466 3.317 40 0 FGABHN CN1CCN(Cc2ncccc2F)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257207378 497390534 /nfs/dbraw/zinc/39/05/34/497390534.db2.gz BHMMEENFROWJTH-KRWDZBQOSA-N 0 3 364.468 3.375 40 0 FGABHN Cc1cccc(Nc2cc(C[C@@H]3CCCN(Cc4cnc[nH]4)C3)ncn2)n1 ZINC000257223868 497391471 /nfs/dbraw/zinc/39/14/71/497391471.db2.gz DZHHZEGQNGPGSQ-INIZCTEOSA-N 0 3 363.469 3.101 40 0 FGABHN Cc1cccc(Nc2cc(C[C@H]3CCCN(Cc4cnc[nH]4)C3)ncn2)n1 ZINC000257223869 497391813 /nfs/dbraw/zinc/39/18/13/497391813.db2.gz DZHHZEGQNGPGSQ-MRXNPFEDSA-N 0 3 363.469 3.101 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2cncc(-c3cncn3C)n2)C1 ZINC000257248923 497394458 /nfs/dbraw/zinc/39/44/58/497394458.db2.gz JFUXBBRCVVBIKB-CQSZACIVSA-N 0 3 354.483 3.022 40 0 FGABHN Cc1c[nH]c(-c2cncc(C[C@H]3CCCN(Cc4scnc4C)C3)n2)n1 ZINC000257241395 497395192 /nfs/dbraw/zinc/39/51/92/497395192.db2.gz HXXCKTMIJOXMJI-OAHLLOKOSA-N 0 3 368.510 3.395 40 0 FGABHN Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)n1 ZINC000257278262 497398548 /nfs/dbraw/zinc/39/85/48/497398548.db2.gz OBNLUIXMIPEFRW-HNNXBMFYSA-N 0 3 356.470 3.272 40 0 FGABHN CC1(C)O[C@@](C)([C@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)CC[C@@H]1O ZINC000257316571 497401792 /nfs/dbraw/zinc/40/17/92/497401792.db2.gz VGDPGKDGQACIFO-QKNQBKEWSA-N 0 3 374.525 3.161 40 0 FGABHN CN(C(=O)c1cc(C(C)(C)C)ccc1[O-])[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O ZINC000257308032 497402805 /nfs/dbraw/zinc/40/28/05/497402805.db2.gz TVDNTPWJGAFWSI-QWFCFKBJSA-N 0 3 374.525 3.140 40 0 FGABHN c1coc(CN2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)c1 ZINC000306128899 498739144 /nfs/dbraw/zinc/73/91/44/498739144.db2.gz HNWSOQOBUNAJEE-MRXNPFEDSA-N 0 3 351.454 3.302 40 0 FGABHN Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103591 507571257 /nfs/dbraw/zinc/57/12/57/507571257.db2.gz DREBCVBJHYFEAV-QHCPKHFHSA-N 0 3 364.489 3.246 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2cc(-c3nccn3C)nc(C)n2)C1 ZINC000585178829 507580081 /nfs/dbraw/zinc/58/00/81/507580081.db2.gz GWOKQHSJAVYODC-OAHLLOKOSA-N 0 3 368.510 3.330 40 0 FGABHN Cc1cccnc1CN1CCC2(CCC(=O)N(CC3CCOCC3)C2)CC1 ZINC000108533368 209290135 /nfs/dbraw/zinc/29/01/35/209290135.db2.gz CBZDBIBAXLZICJ-UHFFFAOYSA-N 0 3 371.525 3.021 40 0 FGABHN Cc1ccc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)o1 ZINC000096218391 209137803 /nfs/dbraw/zinc/13/78/03/209137803.db2.gz PGWZKABMSPYWLF-QGZVFWFLSA-N 0 3 357.454 3.076 40 0 FGABHN COc1cccc(CN2CC[C@]3(C2)C[C@@H](Nc2ccccn2)CCO3)c1 ZINC000096208385 209135222 /nfs/dbraw/zinc/13/52/22/209135222.db2.gz NSHKPJBYIJJWQA-GHTZIAJQSA-N 0 3 353.466 3.326 40 0 FGABHN Cc1noc(C)c1CN1CCC2(C[C@H](N(C)Cc3ccco3)CO2)CC1 ZINC000096158677 209127896 /nfs/dbraw/zinc/12/78/96/209127896.db2.gz CRTBVDPALYSELM-KRWDZBQOSA-N 0 3 359.470 3.140 40 0 FGABHN O=C(c1cccc(F)c1)N1CCC2(C1)CCN(Cc1ccccn1)CC2 ZINC000096157562 209126354 /nfs/dbraw/zinc/12/63/54/209126354.db2.gz DJUBBYMZSFJRQV-UHFFFAOYSA-N 0 3 353.441 3.349 40 0 FGABHN Cc1cccc(CN2CCC3(C[C@@H](Oc4ncccc4F)CO3)CC2)n1 ZINC000096107037 209113481 /nfs/dbraw/zinc/11/34/81/209113481.db2.gz HKRGPKSRVRTHLC-QGZVFWFLSA-N 0 3 357.429 3.127 40 0 FGABHN C[C@@H]1Cc2cc(CN3CCC(c4nn(C)c5nccnc45)CC3)ccc2O1 ZINC000019498181 220263318 /nfs/dbraw/zinc/26/33/18/220263318.db2.gz CIACCCUCEKXEQM-CQSZACIVSA-N 0 3 363.465 3.066 40 0 FGABHN COc1ccccc1OCC(=O)NCc1ccccc1CN1CCCCC1 ZINC000007696793 207202338 /nfs/dbraw/zinc/20/23/38/207202338.db2.gz QUQJTQNBOVXQGS-UHFFFAOYSA-N 0 3 368.477 3.376 40 0 FGABHN COc1cccc(OC)c1CN1C[C@H]2CCC[C@@H](C1)C2(O)c1ccccn1 ZINC000012089061 207337015 /nfs/dbraw/zinc/33/70/15/207337015.db2.gz AGXWLTSHHUILBB-AQKKSAQBSA-N 0 3 368.477 3.219 40 0 FGABHN COc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c1OC ZINC000012134967 207340472 /nfs/dbraw/zinc/34/04/72/207340472.db2.gz RWOAJFWWVAOVEN-QIDMFYOTSA-N 0 3 368.477 3.219 40 0 FGABHN COc1nc2cc(C)ccc2cc1CN1CCC2(CCCNC2=O)CC1 ZINC000012132389 207341047 /nfs/dbraw/zinc/34/10/47/207341047.db2.gz OGOHMUOXKFYFES-UHFFFAOYSA-N 0 3 353.466 3.044 40 0 FGABHN CN(C)CCN(Cc1cccnc1)C(=O)Cc1ccc2c(c1)CCCC2 ZINC000012222338 207349574 /nfs/dbraw/zinc/34/95/74/207349574.db2.gz FHWRLEBBYFHHEK-UHFFFAOYSA-N 0 3 351.494 3.093 40 0 FGABHN CCn1cc(CC(=O)N(CCN(C)C)Cc2cccnc2)c2ccccc21 ZINC000012222319 207350219 /nfs/dbraw/zinc/35/02/19/207350219.db2.gz YWQIWGZVTSSZGI-UHFFFAOYSA-N 0 3 364.493 3.189 40 0 FGABHN COc1ccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC2)cc1 ZINC000012292598 207353183 /nfs/dbraw/zinc/35/31/83/207353183.db2.gz DPLXMYLCUJSQGL-QFIPXVFZSA-N 0 3 367.489 3.201 40 0 FGABHN Cc1ccc(CN2CCOC[C@@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062427 209107145 /nfs/dbraw/zinc/10/71/45/209107145.db2.gz UIURYFJAWBQFKF-GOSISDBHSA-N 0 3 363.552 3.238 40 0 FGABHN CN(C)C(=O)[C@@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096058376 209104151 /nfs/dbraw/zinc/10/41/51/209104151.db2.gz VRZTXHPQUHQMJC-HXUWFJFHSA-N 0 3 368.452 3.477 40 0 FGABHN Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H](N(C)Cc4ccco4)[C@@H]3C2)n1 ZINC000096054584 209101937 /nfs/dbraw/zinc/10/19/37/209101937.db2.gz WNSPPFIOWBRUPQ-HQRMLTQVSA-N 0 3 353.466 3.356 40 0 FGABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048044 209100661 /nfs/dbraw/zinc/10/06/61/209100661.db2.gz UQNUZWDFTFDJSL-GOSISDBHSA-N 0 3 357.523 3.399 40 0 FGABHN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(Cc1cccs1)CC2 ZINC000096048070 209101074 /nfs/dbraw/zinc/10/10/74/209101074.db2.gz FLDVUBKCBKMQGF-GOSISDBHSA-N 0 3 357.523 3.399 40 0 FGABHN CN(Cc1cccnc1)[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096047979 209100312 /nfs/dbraw/zinc/10/03/12/209100312.db2.gz DMWHUJZRQITVLD-IBGZPJMESA-N 0 3 357.523 3.399 40 0 FGABHN COc1cc(N2CCC[C@]3(CCN(Cc4cc(C)c(C)o4)C3)C2)ncn1 ZINC000096216573 132222566 /nfs/dbraw/zinc/22/25/66/132222566.db2.gz BLECEKFMHKSPRP-HXUWFJFHSA-N 0 3 356.470 3.188 40 0 FGABHN FC(F)(F)c1cc(N2CCNCC2)c2cc(Br)ccc2n1 ZINC000002243378 132382841 /nfs/dbraw/zinc/38/28/41/132382841.db2.gz NMODVQMGKQKWHA-UHFFFAOYSA-N 0 3 360.177 3.426 40 0 FGABHN CN1CCCC[C@H]1c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 ZINC000072216416 494144016 /nfs/dbraw/zinc/14/40/16/494144016.db2.gz YQRHMXNHUSYCBS-KRWDZBQOSA-N 0 3 360.502 3.296 40 0 FGABHN Cn1cc(CN2CCC[C@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349968 494155696 /nfs/dbraw/zinc/15/56/96/494155696.db2.gz HEFLSTRRWUVUKL-FQEVSTJZSA-N 0 3 362.477 3.354 40 0 FGABHN CN(C)[C@@H]1CN(C(=O)c2cccc(F)c2)C[C@H]1c1cn(C)c2ccccc12 ZINC000072395153 494163505 /nfs/dbraw/zinc/16/35/05/494163505.db2.gz FQPOTIRIZPNNLM-PZJWPPBQSA-N 0 3 365.452 3.487 40 0 FGABHN O[C@@H](CN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc2c(c1)CCC2 ZINC000012292552 494218793 /nfs/dbraw/zinc/21/87/93/494218793.db2.gz YWELHXQJIYSYMK-NRFANRHFSA-N 0 3 355.453 3.331 40 0 FGABHN Cc1ccn(C[C@H](C)NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670740 494249379 /nfs/dbraw/zinc/24/93/79/494249379.db2.gz PQNRHYLQKZDPEH-AWEZNQCLSA-N 0 3 356.857 3.379 40 0 FGABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCCN(Cc4cccnc4)[C@@H]32)cc1 ZINC000019019378 494434767 /nfs/dbraw/zinc/43/47/67/494434767.db2.gz QTRVJKDNMMQZOY-YPAWHYETSA-N 0 3 365.477 3.069 40 0 FGABHN O=C(CCc1ccc(Cl)cc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 ZINC000019333573 494442575 /nfs/dbraw/zinc/44/25/75/494442575.db2.gz XXXRFBMEHXUYJM-GOSISDBHSA-N 0 3 370.884 3.072 40 0 FGABHN O[C@]1(c2ccccc2)CCN(Cc2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000019369771 494443182 /nfs/dbraw/zinc/44/31/82/494443182.db2.gz OGKGTIPNROVSPT-FCHUYYIVSA-N 0 3 353.462 3.338 40 0 FGABHN CC1(C)S[C@@H](CN)N[C@@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000019365603 494443880 /nfs/dbraw/zinc/44/38/80/494443880.db2.gz VJDBJGIOWKYECA-FUHWJXTLSA-N 0 3 356.491 3.088 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)C2CCCCC2)n1 ZINC000019698137 494455457 /nfs/dbraw/zinc/45/54/57/494455457.db2.gz XOSVLSDYWVUUOI-NRFANRHFSA-N 0 3 370.541 3.386 40 0 FGABHN CC(C)c1nnc(CC(=O)Nc2cccc(CN3CCCC[C@H]3C)c2)[nH]1 ZINC000019718454 494457604 /nfs/dbraw/zinc/45/76/04/494457604.db2.gz IASUWCMESKWSBO-OAHLLOKOSA-N 0 3 355.486 3.484 40 0 FGABHN CCN1CCC[C@H]1CN(Cc1c(C)nn(CC)c1C)Cc1ccccn1 ZINC000023247782 494559136 /nfs/dbraw/zinc/55/91/36/494559136.db2.gz ABNSXFHLKTWJAM-FQEVSTJZSA-N 0 3 355.530 3.401 40 0 FGABHN O=C(c1cc2ccccc2s1)N1Cc2ccnn2[C@H](CN2CCCC2)C1 ZINC000247939649 496930296 /nfs/dbraw/zinc/93/02/96/496930296.db2.gz PEJMRVCEPWRZBI-QGZVFWFLSA-N 0 3 366.490 3.391 40 0 FGABHN Cc1ncsc1CN1CC[C@@H]2OCCC[C@@]2(COc2cccnc2)C1 ZINC000248000036 496941426 /nfs/dbraw/zinc/94/14/26/496941426.db2.gz BMHZUFYHTAGWDH-OALUTQOASA-N 0 3 359.495 3.297 40 0 FGABHN Cc1cc(-c2cnc(N3CCN4CCC[C@H]4C3)nc2-c2ccoc2C)on1 ZINC000253600404 497344386 /nfs/dbraw/zinc/34/43/86/497344386.db2.gz ONCNAOXJHBGGMA-HNNXBMFYSA-N 0 3 365.437 3.293 40 0 FGABHN COc1cc(C)ccc1CN1CC[C@@H](c2ncncc2-c2noc(C)n2)C1 ZINC000257213489 497391428 /nfs/dbraw/zinc/39/14/28/497391428.db2.gz CHUCKIADRIABGH-MRXNPFEDSA-N 0 3 365.437 3.142 40 0 FGABHN Cc1cnccc1CN1CCC[C@H](c2nccnc2Nc2cnccn2)C1 ZINC000257256032 497396049 /nfs/dbraw/zinc/39/60/49/497396049.db2.gz KJUORQNNUURBPC-KRWDZBQOSA-N 0 3 361.453 3.093 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100434 507567776 /nfs/dbraw/zinc/56/77/76/507567776.db2.gz KNOSBLGIUSKMKL-PZJWPPBQSA-N 0 3 358.482 3.032 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100434 507567785 /nfs/dbraw/zinc/56/77/85/507567785.db2.gz KNOSBLGIUSKMKL-PZJWPPBQSA-N 0 3 358.482 3.032 40 0 FGABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N(c4ccc(F)cc4)C3)C2)c1 ZINC000585104770 507570050 /nfs/dbraw/zinc/57/00/50/507570050.db2.gz SYVLUUGAKWRDCG-JOCHJYFZSA-N 0 3 368.452 3.390 40 0 FGABHN c1cncc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)c1 ZINC000585104756 507570525 /nfs/dbraw/zinc/57/05/25/507570525.db2.gz MAJSJWSCRAUGMD-LJQANCHMSA-N 0 3 353.466 3.317 40 0 FGABHN CC(C)(C)OC(=O)N1CC(NCCc2ccccc2Br)C1 ZINC000090635728 518799262 /nfs/dbraw/zinc/79/92/62/518799262.db2.gz XSWSLUZCGGFFPU-UHFFFAOYSA-N 0 3 355.276 3.201 40 0 FGABHN CC(=O)N[C@@H]1C[C@H](c2cccc(OCCN3CCCC3)c2)O[C@@H]2CCC[C@H]21 ZINC000257251788 526864641 /nfs/dbraw/zinc/86/46/41/526864641.db2.gz JSFQENXWUNHBTM-DXBBTUNJSA-N 0 3 372.509 3.296 40 0 FGABHN Cc1ccc(F)c(CN2CCC3(CC(NC(=O)c4cccnc4)C3)C2)c1 ZINC000108526217 209288262 /nfs/dbraw/zinc/28/82/62/209288262.db2.gz LAGJBAURDMKHDB-UHFFFAOYSA-N 0 3 353.441 3.314 40 0 FGABHN CC(C)c1nc(-c2cc(C(=O)NCCN(C)C)c3ccccn23)cs1 ZINC000096266752 209147590 /nfs/dbraw/zinc/14/75/90/209147590.db2.gz DVCFDLJEEGCLQX-UHFFFAOYSA-N 0 3 356.495 3.478 40 0 FGABHN FC1(F)CCN(Cc2cccnc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC000096239799 209142377 /nfs/dbraw/zinc/14/23/77/209142377.db2.gz IHKOBDGAENJKPJ-LJQANCHMSA-N 0 3 358.436 3.210 40 0 FGABHN O=C(N1CCCC1)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216498 209136741 /nfs/dbraw/zinc/13/67/41/209136741.db2.gz FETHFPJRAKWKPM-OAQYLSRUSA-N 0 3 357.498 3.069 40 0 FGABHN O=C(c1cnccn1)N1CCC2(CCN(Cc3ccsc3)CC2)CC1 ZINC000096158444 209127303 /nfs/dbraw/zinc/12/73/03/209127303.db2.gz YCAGPBXTJZXNMG-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN CCN1CCC2(CC1)C[C@H](NC(=O)c1ccncc1)c1ccccc1O2 ZINC000096079764 209110341 /nfs/dbraw/zinc/11/03/41/209110341.db2.gz WAGDVOXCUIXSSQ-SFHVURJKSA-N 0 3 351.450 3.190 40 0 FGABHN Cc1cc2c(cc1CN1C[C@H]3CCC[C@@H](C1)C3(O)c1ccccn1)OCO2 ZINC000012089077 207337045 /nfs/dbraw/zinc/33/70/45/207337045.db2.gz YCWNFLIQIHILAX-VSOVRNOCSA-N 0 3 366.461 3.238 40 0 FGABHN COc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)cc1CO ZINC000012328947 207363117 /nfs/dbraw/zinc/36/31/17/207363117.db2.gz KJJKXNSOTQOFMG-RLAPIPATSA-N 0 3 371.452 3.341 40 0 FGABHN Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239180 207652992 /nfs/dbraw/zinc/65/29/92/207652992.db2.gz KBOPSMACBGIKGP-MRXNPFEDSA-N 0 3 372.432 3.373 40 0 FGABHN Cc1nc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)c2ccccn12 ZINC000019240723 207654001 /nfs/dbraw/zinc/65/40/01/207654001.db2.gz APKFJRAHKJTQQE-UZLBHIALSA-N 0 3 370.403 3.030 40 0 FGABHN O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038858767 208207836 /nfs/dbraw/zinc/20/78/36/208207836.db2.gz ZIZUWOIDLVDRGV-KRWDZBQOSA-N 0 3 370.424 3.083 40 0 FGABHN COc1ccc(CN2CCC[C@@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049556 209103053 /nfs/dbraw/zinc/10/30/53/209103053.db2.gz TXYDNGRURCAPJA-QFIPXVFZSA-N 0 3 367.493 3.209 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccccc1 ZINC000002366124 493807235 /nfs/dbraw/zinc/80/72/35/493807235.db2.gz CYMUQKWPHCOSDQ-AQNXPRMDSA-N 0 3 371.396 3.133 40 0 FGABHN CC(C)C[C@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1 ZINC000013138368 494279441 /nfs/dbraw/zinc/27/94/41/494279441.db2.gz QJJLUJITDYPBBY-OTWHNJEPSA-N 0 3 350.418 3.411 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@@](O)(c3ncccc3C)[C@@H]2C1 ZINC000019133198 494437213 /nfs/dbraw/zinc/43/72/13/494437213.db2.gz VITLRXRNPGWSJZ-KPLVRAHFSA-N 0 3 352.478 3.437 40 0 FGABHN O[C@@H]1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@@H](Cc3ccccc3)CN2C1 ZINC000019372784 494443338 /nfs/dbraw/zinc/44/33/38/494443338.db2.gz HJXZQAWAEYDLOF-PCCBWWKXSA-N 0 3 356.897 3.202 40 0 FGABHN O=C(C1CCC1)N1CCC(c2[nH]c3nccnc3c2CN2CCCC2)CC1 ZINC000019404241 494444843 /nfs/dbraw/zinc/44/48/43/494444843.db2.gz XVPWTZIKGNZADI-UHFFFAOYSA-N 0 3 367.497 3.060 40 0 FGABHN O=C(CN1CCCCCC1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 ZINC000019405452 494445423 /nfs/dbraw/zinc/44/54/23/494445423.db2.gz XTCPYGYXIGNPIL-LJQANCHMSA-N 0 3 367.497 3.401 40 0 FGABHN CCCNC(=O)c1cc([C@H]2CCCN(Cc3cccc(OC)c3)C2)no1 ZINC000019503701 494446088 /nfs/dbraw/zinc/44/60/88/494446088.db2.gz VPQBSPWYCDOTHQ-INIZCTEOSA-N 0 3 357.454 3.203 40 0 FGABHN CCC[C@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019501956 494446220 /nfs/dbraw/zinc/44/62/20/494446220.db2.gz DEIOWZXJOVAWES-GOSISDBHSA-N 0 3 374.558 3.184 40 0 FGABHN CN1CCc2nc([C@H]3CCCCN3C(=O)CCc3ccccc3)ncc2C1 ZINC000019590289 494451667 /nfs/dbraw/zinc/45/16/67/494451667.db2.gz ATBCUTLYEUHENS-HXUWFJFHSA-N 0 3 364.493 3.151 40 0 FGABHN COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccccc2F)C3)cc1 ZINC000096269253 495008694 /nfs/dbraw/zinc/00/86/94/495008694.db2.gz GOYXPOIVIYSLSD-SFHVURJKSA-N 0 3 367.424 3.386 40 0 biogenic,in-vitro FGABHN c1ccc(COCC[C@H]2CCOC23CCN(Cc2cccnc2)CC3)nc1 ZINC000247912251 496926613 /nfs/dbraw/zinc/92/66/13/496926613.db2.gz YPJAXHUCAJEMOL-FQEVSTJZSA-N 0 3 367.493 3.455 40 0 FGABHN Cc1ccccc1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1ccco1)CO2 ZINC000248072631 496951704 /nfs/dbraw/zinc/95/17/04/496951704.db2.gz BGKPCNTUQDWLRI-SFHVURJKSA-N 0 3 368.477 3.341 40 0 FGABHN CN(Cc1ccco1)[C@@H]1CCC[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000248125010 496957666 /nfs/dbraw/zinc/95/76/66/496957666.db2.gz OJGLYWYCPRXLMP-PWIZWCRZSA-N 0 3 374.506 3.201 40 0 FGABHN COc1cc(C)c(S(=O)(=O)NCCCN2CCCCC2)cc1C(C)C ZINC000223541649 497038861 /nfs/dbraw/zinc/03/88/61/497038861.db2.gz RRLKCBRYZPUJCW-UHFFFAOYSA-N 0 3 368.543 3.281 40 0 FGABHN CN1CCC(Oc2ccc(NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 ZINC000225404141 497062037 /nfs/dbraw/zinc/06/20/37/497062037.db2.gz KWZATXBBXIPFRB-UHFFFAOYSA-N 0 3 368.433 3.183 40 0 FGABHN CC(C)(Br)C(=O)Nc1ccc(OCCN2CCCC2)cc1 ZINC000225594254 497068785 /nfs/dbraw/zinc/06/87/85/497068785.db2.gz OOFOWGTYWDUTRF-UHFFFAOYSA-N 0 3 355.276 3.273 40 0 FGABHN CC(C)CN1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C ZINC000253399420 497331944 /nfs/dbraw/zinc/33/19/44/497331944.db2.gz JDUBURPJKAJJOW-SFHVURJKSA-N 0 3 363.933 3.217 40 0 biogenic,in-vitro FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)cn1 ZINC000253606587 497346169 /nfs/dbraw/zinc/34/61/69/497346169.db2.gz VKTJQXSXGKQACM-NBHGPNQESA-N 0 3 355.457 3.298 40 0 FGABHN CC(C)N1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257220214 497391894 /nfs/dbraw/zinc/39/18/94/497391894.db2.gz DKAWXZRHHRMCQI-IBGZPJMESA-N 0 3 360.527 3.342 40 0 FGABHN Cc1noc(C)c1-c1cccc(C(=O)NCc2ccccc2CN(C)C)n1 ZINC000257213873 497392288 /nfs/dbraw/zinc/39/22/88/497392288.db2.gz CJKPIBSEWUBTRS-UHFFFAOYSA-N 0 3 364.449 3.345 40 0 FGABHN CN1CCC[C@@H]2N(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CCC[C@@]21C ZINC000257281620 497397836 /nfs/dbraw/zinc/39/78/36/497397836.db2.gz OQDVQRCALHSFIS-ICSRJNTNSA-N 0 3 356.445 3.305 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2nc(C)cc(-c3ncc[nH]3)n2)C1 ZINC000257285721 497399040 /nfs/dbraw/zinc/39/90/40/497399040.db2.gz PILRLYXGYHVKHR-CQSZACIVSA-N 0 3 354.483 3.320 40 0 FGABHN CN1CCC(n2ccc(=NC(=O)N3CCC[C@@H]3c3ccsc3)[nH]2)CC1 ZINC000330208259 498062472 /nfs/dbraw/zinc/06/24/72/498062472.db2.gz GQIHUCJEASQOSC-MRXNPFEDSA-N 0 3 359.499 3.002 40 0 FGABHN CN1Cc2nnc(-c3cccs3)n2C2(CCN(Cc3ccoc3)CC2)C1 ZINC000306144027 498743612 /nfs/dbraw/zinc/74/36/12/498743612.db2.gz YTTKODAOBRGSNF-UHFFFAOYSA-N 0 3 369.494 3.036 40 0 FGABHN Cc1ccc(Cl)cc1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000328981249 499005439 /nfs/dbraw/zinc/00/54/39/499005439.db2.gz GTPXZTQCVILMIN-UHFFFAOYSA-N 0 3 373.810 3.018 40 0 FGABHN CC1(C)CCC(N2CCOC[C@@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585281209 507584480 /nfs/dbraw/zinc/58/44/80/507584480.db2.gz GQKAAMAREYPPIK-HXUWFJFHSA-N 0 3 369.452 3.376 40 0 FGABHN O=C1CC2(CN1Cc1ccncc1)CCN(Cc1cccc(F)c1)CC2 ZINC000108525651 209288958 /nfs/dbraw/zinc/28/89/58/209288958.db2.gz ISDLESSNWHQOHL-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN CCN1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228865 209140727 /nfs/dbraw/zinc/14/07/27/209140727.db2.gz YIPRWLTUCGKHDD-QFIPXVFZSA-N 0 3 367.493 3.052 40 0 FGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228734 209140004 /nfs/dbraw/zinc/14/00/04/209140004.db2.gz HZSNSKFAETVRCI-OAQYLSRUSA-N 0 3 355.482 3.131 40 0 FGABHN Cc1cccc(CN2CC[C@H]3OCC[C@@]3(CCNc3ccccn3)C2)n1 ZINC000096206109 209135095 /nfs/dbraw/zinc/13/50/95/209135095.db2.gz HUYSYLMFGNBNHT-CTNGQTDRSA-N 0 3 352.482 3.268 40 0 FGABHN COC[C@H]1COCCC12CCN(CCOc1ccc(Cl)cc1)CC2 ZINC000096106331 209113500 /nfs/dbraw/zinc/11/35/00/209113500.db2.gz BAJSYIDURUMULL-INIZCTEOSA-N 0 3 353.890 3.484 40 0 FGABHN COc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@@H]3C2)cc1 ZINC000096100387 209111735 /nfs/dbraw/zinc/11/17/35/209111735.db2.gz VQJUEBUEHMVUOB-DHIUTWEWSA-N 0 3 364.489 3.460 40 0 FGABHN COCCOc1cccc(CN2CCC(O)(c3ccc(F)cc3)CC2)c1 ZINC000012240707 207352168 /nfs/dbraw/zinc/35/21/68/207352168.db2.gz XOAIXLSHFVDHQX-UHFFFAOYSA-N 0 3 359.441 3.335 40 0 FGABHN Cc1ccc2c(c1)CN(C)C[C@@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366371 207365548 /nfs/dbraw/zinc/36/55/48/207365548.db2.gz ZBIXAIJXPJBBFR-HSZRJFAPSA-N 0 3 364.489 3.423 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1cccc(F)c1 ZINC000039964113 208214091 /nfs/dbraw/zinc/21/40/91/208214091.db2.gz AFPLMIBTXQMHGB-KRWDZBQOSA-N 0 3 364.380 3.254 40 0 FGABHN CN(CCNC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000044916752 208323283 /nfs/dbraw/zinc/32/32/83/208323283.db2.gz KJKFMTOYMRPSEG-LJQANCHMSA-N 0 3 369.484 3.290 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@H](N(C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047982 209100752 /nfs/dbraw/zinc/10/07/52/209100752.db2.gz XHHFMLOAVRPGOP-IBGZPJMESA-N 0 3 355.482 3.239 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@@H](N(C)Cc4cccnc4)CO3)CC2)o1 ZINC000096047983 209100678 /nfs/dbraw/zinc/10/06/78/209100678.db2.gz XHHFMLOAVRPGOP-LJQANCHMSA-N 0 3 355.482 3.239 40 0 FGABHN Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2cccs2)CC3)cn1 ZINC000096047295 209100564 /nfs/dbraw/zinc/10/05/64/209100564.db2.gz GOWUTFQIYLCOBK-UHFFFAOYSA-N 0 3 358.511 3.000 40 0 FGABHN c1ccc(CN2CC[C@H]3OCCC[C@]3(COCc3cccnc3)C2)nc1 ZINC000096040098 209098736 /nfs/dbraw/zinc/09/87/36/209098736.db2.gz ISSPGGPHHDAFOE-NHCUHLMSSA-N 0 3 353.466 3.065 40 0 FGABHN c1cncc(COC[C@@]23CCCO[C@H]2CCN(Cc2ccncc2)C3)c1 ZINC000096040104 209097564 /nfs/dbraw/zinc/09/75/64/209097564.db2.gz PHLHKOLRWDDKET-SFTDATJTSA-N 0 3 353.466 3.065 40 0 FGABHN O=C(CCc1ccc(F)cc1)N1CCNC[C@@H](COCc2ccccc2)C1 ZINC000072354537 494157104 /nfs/dbraw/zinc/15/71/04/494157104.db2.gz CNJUCPWYDCTQCM-HXUWFJFHSA-N 0 3 370.468 3.023 40 0 FGABHN c1ccc(CC[N@@H+]2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377575 494159337 /nfs/dbraw/zinc/15/93/37/494159337.db2.gz LHFVSVKOXZQIIZ-SFHVURJKSA-N 0 3 360.465 3.432 40 0 FGABHN c1ccc(CC[N@H+]2CCC[C@H](c3ccnc([N-]c4cnccn4)n3)C2)cc1 ZINC000072377575 494159340 /nfs/dbraw/zinc/15/93/40/494159340.db2.gz LHFVSVKOXZQIIZ-SFHVURJKSA-N 0 3 360.465 3.432 40 0 FGABHN COc1ccc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 ZINC000012121494 494207233 /nfs/dbraw/zinc/20/72/33/494207233.db2.gz ONDVVZWWSSRTBE-UHFFFAOYSA-N 0 3 351.454 3.008 40 0 FGABHN Cn1cccc1CN1CCC(c2cc(N)n3nc(C(C)(C)C)cc3n2)CC1 ZINC000012120856 494207366 /nfs/dbraw/zinc/20/73/66/494207366.db2.gz HGTYTOUSJKFHHN-UHFFFAOYSA-N 0 3 366.513 3.327 40 0 FGABHN CCc1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccccc4OC)[C@@H]3C2)cn1 ZINC000012276708 494219101 /nfs/dbraw/zinc/21/91/01/494219101.db2.gz RAEYJWJNGGKLRB-LRXVAGHRSA-N 0 3 367.493 3.167 40 0 FGABHN Cn1c2ccc(CN(Cc3ccccc3)C[C@H]3CCCO3)cc2n(C)c1=O ZINC000013993392 494298876 /nfs/dbraw/zinc/29/88/76/494298876.db2.gz SDOMACRRJBQABF-LJQANCHMSA-N 0 3 365.477 3.058 40 0 FGABHN COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CCCCC3)n2)cc1 ZINC000015674681 494364977 /nfs/dbraw/zinc/36/49/77/494364977.db2.gz IXJPYQFKYGFZRF-AEFFLSMTSA-N 0 3 357.454 3.433 40 0 biogenic,in-vitro FGABHN COc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C2)c(F)c1 ZINC000019216125 494438294 /nfs/dbraw/zinc/43/82/94/494438294.db2.gz OJFNCFNNAUZZTK-FYINFDKHSA-N 0 3 356.441 3.267 40 0 FGABHN CN(C)C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)Cc2cncn21 ZINC000248120875 496955916 /nfs/dbraw/zinc/95/59/16/496955916.db2.gz NAEJXMMVDFNIBM-HNNXBMFYSA-N 0 3 358.829 3.041 40 0 FGABHN Cc1ccc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)nc1 ZINC000225773810 497074894 /nfs/dbraw/zinc/07/48/94/497074894.db2.gz UWIWYINSTUMSOO-UHFFFAOYSA-N 0 3 370.522 3.350 40 0 FGABHN Cc1c[nH]c(-c2cncc([C@H]3CCCN(Cc4scnc4C)C3)n2)n1 ZINC000257221215 497392538 /nfs/dbraw/zinc/39/25/38/497392538.db2.gz DOAAOOCXFQYQSA-AWEZNQCLSA-N 0 3 354.483 3.320 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)[C@H]3CC=CCC3)CC2)nn1C ZINC000257234275 497393436 /nfs/dbraw/zinc/39/34/36/497393436.db2.gz GSVRWQBJGISZPS-BZSNNMDCSA-N 0 3 358.530 3.228 40 0 FGABHN CC[C@@H](N)C(=O)N1CC[C@H]2O[C@H]3c4ccc(C)cc4OC(C)(C)[C@@H]3C[C@H]2C1 ZINC000257261811 497396796 /nfs/dbraw/zinc/39/67/96/497396796.db2.gz LIXGHPSCZJRZKW-FXTJJVCJSA-N 0 3 372.509 3.198 40 0 FGABHN Cc1cc(N)cc([C@@H]2CN(C(=O)c3cc4ccccc4s3)CCO2)n1 ZINC000257301588 497400660 /nfs/dbraw/zinc/40/06/60/497400660.db2.gz RZBJNBUUZOANEI-INIZCTEOSA-N 0 3 353.447 3.401 40 0 FGABHN Fc1ccccc1CN1CCC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 ZINC000257319885 497402118 /nfs/dbraw/zinc/40/21/18/497402118.db2.gz VULDZSNBYJEQOV-OAHLLOKOSA-N 0 3 351.429 3.461 40 0 FGABHN CN(Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3=CCCCC3)C2)OC1 ZINC000306141921 498742995 /nfs/dbraw/zinc/74/29/95/498742995.db2.gz WJZXBBGVJFIVRX-LJQANCHMSA-N 0 3 369.509 3.021 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100335 507567956 /nfs/dbraw/zinc/56/79/56/507567956.db2.gz KNOSBLGIUSKMKL-CTNGQTDRSA-N 0 3 358.482 3.032 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@H+]2C[C@H]2CCCO2)CC1 ZINC000585100335 507567962 /nfs/dbraw/zinc/56/79/62/507567962.db2.gz KNOSBLGIUSKMKL-CTNGQTDRSA-N 0 3 358.482 3.032 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2cccnc2)nc1 ZINC000585105089 507570541 /nfs/dbraw/zinc/57/05/41/507570541.db2.gz PEVRZVXOTGZHNQ-HXUWFJFHSA-N 0 3 367.493 3.455 40 0 FGABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2cccnc2)Cc2c[nH]c3cccc1c23 ZINC000049171417 209334825 /nfs/dbraw/zinc/33/48/25/209334825.db2.gz NGLQXQNGRLNJTN-PMACEKPBSA-N 0 3 362.477 3.481 40 0 biogenic,in-vitro FGABHN Cc1cccc(CN2CC[C@]3(CCCN(Cc4ccsc4)C3)C2=O)n1 ZINC000096224712 209139435 /nfs/dbraw/zinc/13/94/35/209139435.db2.gz RFMNQDJSOCETHK-FQEVSTJZSA-N 0 3 355.507 3.466 40 0 FGABHN CCC(CC)NC(=O)c1ccc2ccc(N3CCN(C(C)C)CC3)n2c1 ZINC000096156094 209125873 /nfs/dbraw/zinc/12/58/73/209125873.db2.gz RYIXRLYNRAQUHX-UHFFFAOYSA-N 0 3 356.514 3.388 40 0 FGABHN COc1cccc(CN2CC[C@]3(CCN(Cc4ccc(F)cc4)C3)C2=O)c1 ZINC000096077350 209108571 /nfs/dbraw/zinc/10/85/71/209108571.db2.gz NJVYCWPAIAEVQG-QFIPXVFZSA-N 0 3 368.452 3.459 40 0 FGABHN CC(C)N1CCOC[C@]2(CCCN(C(=O)c3cnc4ccccc4c3)C2)C1 ZINC000096076225 209108352 /nfs/dbraw/zinc/10/83/52/209108352.db2.gz HZQCTQPVIPUIEW-JOCHJYFZSA-N 0 3 367.493 3.198 40 0 FGABHN Cc1ccsc1CN1CC[C@H]2C[C@H](C(=O)Nc3cccnc3)O[C@H]2C1 ZINC000096066312 209106803 /nfs/dbraw/zinc/10/68/03/209106803.db2.gz SUCXTXDTVQHTOX-UAGQMJEPSA-N 0 3 357.479 3.070 40 0 FGABHN Cc1nc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)cs1 ZINC000096062400 209106758 /nfs/dbraw/zinc/10/67/58/209106758.db2.gz PRGMHPYKINQAQH-SFHVURJKSA-N 0 3 363.552 3.238 40 0 FGABHN COc1cccc(CN(C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)c1 ZINC000006605238 207148864 /nfs/dbraw/zinc/14/88/64/207148864.db2.gz WSKOWHSLJSBACL-ZVDOUQERSA-N 0 3 359.510 3.497 40 0 FGABHN CS(=O)(=O)c1ccc(CN2CC[C@H](c3nc4ccc(F)cc4[nH]3)C2)cc1 ZINC000035446630 207180562 /nfs/dbraw/zinc/18/05/62/207180562.db2.gz VFDBRKORZKHPPZ-AWEZNQCLSA-N 0 3 373.453 3.095 40 0 biogenic,in-vitro FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000010544238 207302935 /nfs/dbraw/zinc/30/29/35/207302935.db2.gz IPSCAOJXRDDLQJ-QGZVFWFLSA-N 0 3 358.935 3.414 40 0 FGABHN CC(C)(C)c1cc2nc(C3CCN(Cc4ccccn4)CC3)cc(N)n2n1 ZINC000012088788 207336690 /nfs/dbraw/zinc/33/66/90/207336690.db2.gz ZFQQRYSSMVDOME-UHFFFAOYSA-N 0 3 364.497 3.384 40 0 FGABHN Cc1ncsc1C(=O)N1Cc2cc(C)ccc2OC2(CCN(C)CC2)C1 ZINC000012365217 207365400 /nfs/dbraw/zinc/36/54/00/207365400.db2.gz NUBUHBISRGBSHI-UHFFFAOYSA-N 0 3 371.506 3.259 40 0 FGABHN CN(C)C[C@H]1COc2ccccc2CN1C(=O)C1(c2ccccc2F)CC1 ZINC000012366173 207366493 /nfs/dbraw/zinc/36/64/93/207366493.db2.gz RYSGSDGJAMFQJV-KRWDZBQOSA-N 0 3 368.452 3.209 40 0 FGABHN CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(C(F)(F)F)cc2)C1 ZINC000035622940 208133197 /nfs/dbraw/zinc/13/31/97/208133197.db2.gz ASGBDICQONEGBH-GJZGRUSLSA-N 0 3 373.419 3.304 40 0 FGABHN COC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038834536 208205326 /nfs/dbraw/zinc/20/53/26/208205326.db2.gz PESXULKPAHJOOP-INIZCTEOSA-N 0 3 370.424 3.463 40 0 FGABHN COc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)o4)C3)C2=O)c1 ZINC000096050657 209102170 /nfs/dbraw/zinc/10/21/70/209102170.db2.gz MWNQMVHNCWFELP-NRFANRHFSA-N 0 3 354.450 3.221 40 0 FGABHN FC1(F)CCN(Cc2cccs2)C[C@@]12CCN(c1ncccn1)C2 ZINC000096051163 209101718 /nfs/dbraw/zinc/10/17/18/209101718.db2.gz BLPHMHGAGUSMEV-MRXNPFEDSA-N 0 3 350.438 3.276 40 0 FGABHN CN(C)CCNc1nc(C2CC2)cc(N2Cc3ccccc3C(C)(C)C2)n1 ZINC000328995806 132372332 /nfs/dbraw/zinc/37/23/32/132372332.db2.gz JIJQLBJFUDQSKW-UHFFFAOYSA-N 0 3 365.525 3.047 40 0 FGABHN CC(C)OCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220667 493780284 /nfs/dbraw/zinc/78/02/84/493780284.db2.gz HYJNJIPYSOCGRM-KRWDZBQOSA-N 0 3 352.906 3.483 40 0 FGABHN CC[C@H]1CCCCN1CC(=O)N1CCC[C@](O)(c2ccc(F)cc2)CC1 ZINC000060016381 493912155 /nfs/dbraw/zinc/91/21/55/493912155.db2.gz ZLPHSYRSKUEUAT-PZJWPPBQSA-N 0 3 362.489 3.290 40 0 FGABHN CC1CCN(C[C@H](O)COc2c(F)cc(Br)cc2F)CC1 ZINC000005307024 493924307 /nfs/dbraw/zinc/92/43/07/493924307.db2.gz BQPSDYNEQPFMBN-LBPRGKRZSA-N 0 3 364.230 3.199 40 0 FGABHN Cn1cc(CN2CCC[C@@H](c3nccnc3-c3cccc(F)c3)C2)cn1 ZINC000072359056 494157698 /nfs/dbraw/zinc/15/76/98/494157698.db2.gz JBMOMZHHQROTGJ-QGZVFWFLSA-N 0 3 351.429 3.396 40 0 FGABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cc4c(cc3C)OCO4)C[C@H]21 ZINC000019237850 494439605 /nfs/dbraw/zinc/43/96/05/494439605.db2.gz FABPCOJZGWAMGB-CECAUBDESA-N 0 3 366.461 3.157 40 0 FGABHN CCOc1ccc(-c2nc([C@@H](N)c3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095533775 494989865 /nfs/dbraw/zinc/98/98/65/494989865.db2.gz PCMNTTSVLSVYGR-SFHVURJKSA-N 0 3 368.437 3.326 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000223105364 497032583 /nfs/dbraw/zinc/03/25/83/497032583.db2.gz HWXHNPLGQGSSIA-KRWDZBQOSA-N 0 3 368.543 3.245 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccccc3)C2)cc1 ZINC000257214081 497392568 /nfs/dbraw/zinc/39/25/68/497392568.db2.gz CKLDIGJYAVIGIJ-OAQYLSRUSA-N 0 3 354.450 3.051 40 0 FGABHN Fc1ccccc1CN1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257291841 497399657 /nfs/dbraw/zinc/39/96/57/497399657.db2.gz QIVDPSITIOXHQF-OAHLLOKOSA-N 0 3 351.429 3.461 40 0 FGABHN Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)[nH]n2)cc1 ZINC000257317169 497401992 /nfs/dbraw/zinc/40/19/92/497401992.db2.gz VIRADEVYGLPDJZ-FPOVZHCZSA-N 0 3 352.482 3.474 40 0 FGABHN CCN(CC)CCCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000575422854 505975463 /nfs/dbraw/zinc/97/54/63/505975463.db2.gz WVYSWGLYGSLZHY-KRWDZBQOSA-N 0 3 372.962 3.061 40 0 FGABHN c1cnc2c(c1)N(Cc1cccnc1)C[C@@]21CCN(Cc2cccnc2)C1 ZINC000306124555 498736263 /nfs/dbraw/zinc/73/62/63/498736263.db2.gz BTNGITUORWVNJP-QFIPXVFZSA-N 0 3 357.461 3.036 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)c2ccccc2N(C)S3(=O)=O)s1 ZINC000306143903 498742671 /nfs/dbraw/zinc/74/26/71/498742671.db2.gz YQKDWMHMJNPFPC-UHFFFAOYSA-N 0 3 362.520 3.327 40 0 FGABHN c1cncc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)c1 ZINC000306141766 498742958 /nfs/dbraw/zinc/74/29/58/498742958.db2.gz WFSVJNVGVQKKMX-IBGZPJMESA-N 0 3 356.433 3.176 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)c(Cl)c2)cc(C2CC2)n1 ZINC000328988255 499007945 /nfs/dbraw/zinc/00/79/45/499007945.db2.gz IFOUUZGHWIBAPX-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN O=C(c1nccc2ccccc21)N1CCC[C@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585102105 507567840 /nfs/dbraw/zinc/56/78/40/507567840.db2.gz RVRDORXXJHDBFO-AVRDEDQJSA-N 0 3 365.477 3.094 40 0 FGABHN CCn1cc(CN2CCC3(CC2)OCC[C@H]3CCOc2cccnc2)cn1 ZINC000585103668 507570875 /nfs/dbraw/zinc/57/08/75/507570875.db2.gz CLVBYBOEHFDWNX-LJQANCHMSA-N 0 3 370.497 3.138 40 0 FGABHN COc1ccccc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108528662 209288941 /nfs/dbraw/zinc/28/89/41/209288941.db2.gz JONXQLPFKZBIRK-SFHVURJKSA-N 0 3 368.481 3.111 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)C[C@H](Nc2ncccn2)CCO3)s1 ZINC000108528675 209289064 /nfs/dbraw/zinc/28/90/64/209289064.db2.gz QBNBQLWBKJPGHL-MRXNPFEDSA-N 0 3 358.511 3.472 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)s1 ZINC000096206813 209133927 /nfs/dbraw/zinc/13/39/27/209133927.db2.gz IGWGERXHMCTDNT-HKUYNNGSSA-N 0 3 351.512 3.233 40 0 FGABHN Cc1cc2ncc3c(n2n1)CC1CCC3N1C(=O)c1sc(C)nc1C ZINC000012154869 207344189 /nfs/dbraw/zinc/34/41/89/207344189.db2.gz LYSAUOUTKALJSL-OCCSQVGLSA-N 0 3 353.451 3.013 40 0 FGABHN CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@H](O)c2ccc(F)cc2)CC1 ZINC000012188392 207346093 /nfs/dbraw/zinc/34/60/93/207346093.db2.gz XMQJTKGHYZKCSB-FQEVSTJZSA-N 0 3 374.431 3.126 40 0 FGABHN CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000012188312 207346538 /nfs/dbraw/zinc/34/65/38/207346538.db2.gz WCLREPAHNKINIR-OAQYLSRUSA-N 0 3 370.468 3.295 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccc(F)cc1 ZINC000039964096 208214621 /nfs/dbraw/zinc/21/46/21/208214621.db2.gz ZTEPCVIVXJWHGD-QGZVFWFLSA-N 0 3 364.380 3.254 40 0 FGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)NCc4ccco4)CC[C@H]32)s1 ZINC000096057548 209105075 /nfs/dbraw/zinc/10/50/75/209105075.db2.gz MBMSCBXUQCNTJN-KZNAEPCWSA-N 0 3 360.479 3.088 40 0 FGABHN COc1cccc(CN2CC[C@@]3(CCN(Cc4ccc(C)o4)C3)C2=O)c1 ZINC000096050658 209101996 /nfs/dbraw/zinc/10/19/96/209101996.db2.gz MWNQMVHNCWFELP-OAQYLSRUSA-N 0 3 354.450 3.221 40 0 FGABHN Cc1ccc(CN2CCC[C@]3(CCN(Cc4cccc(C)n4)C3=O)C2)o1 ZINC000096048792 209100948 /nfs/dbraw/zinc/10/09/48/209100948.db2.gz KUYMHWKDMZMYCH-NRFANRHFSA-N 0 3 353.466 3.306 40 0 FGABHN O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 ZINC000096043364 209099183 /nfs/dbraw/zinc/09/91/83/209099183.db2.gz ATRSGOKMHKMUJF-FGTMMUONSA-N 0 3 357.479 3.009 40 0 FGABHN CN(C)[C@@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000038628579 494115907 /nfs/dbraw/zinc/11/59/07/494115907.db2.gz MGFFJCUWCJKARW-FQEVSTJZSA-N 0 3 352.478 3.154 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393051 494163620 /nfs/dbraw/zinc/16/36/20/494163620.db2.gz OENVYWXVSGMIOP-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393051 494163624 /nfs/dbraw/zinc/16/36/24/494163624.db2.gz OENVYWXVSGMIOP-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN Cc1ccc([C@@H](O)CN2CC=C(c3cc4nc(C)cc(C)n4n3)CC2)cc1 ZINC000012233104 494215989 /nfs/dbraw/zinc/21/59/89/494215989.db2.gz PVGPVPRFOJAMST-NRFANRHFSA-N 0 3 362.477 3.477 40 0 FGABHN COc1cccc(CCNCc2cc3cc(C)cc(C)c3[nH]c2=O)c1OC ZINC000013998850 494299284 /nfs/dbraw/zinc/29/92/84/494299284.db2.gz OELJLDOHADBOLW-UHFFFAOYSA-N 0 3 366.461 3.494 40 0 FGABHN COc1cccc(CCNCc2cc3cccc(C)c3[nH]c2=O)c1OC ZINC000013998802 494299374 /nfs/dbraw/zinc/29/93/74/494299374.db2.gz BJNZGJJSULNZHD-UHFFFAOYSA-N 0 3 352.434 3.186 40 0 FGABHN Cc1ccc(C2(CN3CCC(NC(=O)c4[nH]ncc4Cl)CC3)CC2)cc1 ZINC000019208386 494438016 /nfs/dbraw/zinc/43/80/16/494438016.db2.gz MUMUQDJXXSQOIZ-UHFFFAOYSA-N 0 3 372.900 3.298 40 0 FGABHN c1cnc2c(c1)cccc2CN1CCC(c2nnc(-c3cnccn3)o2)CC1 ZINC000019347303 494442028 /nfs/dbraw/zinc/44/20/28/494442028.db2.gz SGAVEICGQOXHON-UHFFFAOYSA-N 0 3 372.432 3.454 40 0 FGABHN COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c(OC)c1OC ZINC000019552811 494448675 /nfs/dbraw/zinc/44/86/75/494448675.db2.gz HXPUHVSTHVLUKG-ZIFCJYIRSA-N 0 3 372.509 3.042 40 0 FGABHN COc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c(OC)c1OC ZINC000019552797 494449095 /nfs/dbraw/zinc/44/90/95/494449095.db2.gz HNQGOVXRLJJCDW-LZLYRXPVSA-N 0 3 360.498 3.019 40 0 FGABHN COc1ccc2c(c1)C(=O)NC[C@@H]([C@@H]1CCCN(Cc3ccccc3)C1)O2 ZINC000019562123 494449874 /nfs/dbraw/zinc/44/98/74/494449874.db2.gz WBKXQMHJBQCHOG-UTKZUKDTSA-N 0 3 366.461 3.098 40 0 FGABHN Cc1c2cc(F)ccc2[nH]c1C[N@H+]1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1 ZINC000019565529 494449964 /nfs/dbraw/zinc/44/99/64/494449964.db2.gz XKBXTAFYUMABTO-DYVFJYSZSA-N 0 3 366.440 3.169 40 0 FGABHN Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1C[C@@H]2c3nc(C)[n-]c(=O)c3CC[C@@H]2C1 ZINC000019565529 494449967 /nfs/dbraw/zinc/44/99/67/494449967.db2.gz XKBXTAFYUMABTO-DYVFJYSZSA-N 0 3 366.440 3.169 40 0 FGABHN O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1CN1CCCC1 ZINC000025371001 494729923 /nfs/dbraw/zinc/72/99/23/494729923.db2.gz QOIHHVFNYWBHBT-UHFFFAOYSA-N 0 3 362.470 3.041 40 0 FGABHN CCOc1ccc(-c2nc([C@@H](N)c3ccc(F)cc3)n[nH]2)cc1OCC ZINC000095533367 494989488 /nfs/dbraw/zinc/98/94/88/494989488.db2.gz COBHKXDLWDTXQG-KRWDZBQOSA-N 0 3 356.401 3.456 40 0 FGABHN COc1ccc(CNC[C@H]2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1 ZINC000096112930 495002605 /nfs/dbraw/zinc/00/26/05/495002605.db2.gz KSPVMPYIIMQBIR-IBGZPJMESA-N 0 3 367.424 3.386 40 0 biogenic,in-vitro FGABHN CC(=O)Nc1ccc(CNC[C@H]2COCc3nc4ccc(C)cc4n32)cc1 ZINC000096112832 495002691 /nfs/dbraw/zinc/00/26/91/495002691.db2.gz GQHIHGJUTJDKIB-SFHVURJKSA-N 0 3 364.449 3.164 40 0 biogenic,in-vitro FGABHN COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1ccc(F)cc1)C2 ZINC000096112895 495002914 /nfs/dbraw/zinc/00/29/14/495002914.db2.gz LELYRTBJRWRPSQ-KRWDZBQOSA-N 0 3 367.424 3.386 40 0 biogenic,in-vitro FGABHN c1ccc(OCC[C@@H]2CCOC23CCN(Cc2cccnc2)CC3)nc1 ZINC000253602302 497345970 /nfs/dbraw/zinc/34/59/70/497345970.db2.gz MZKQQZIVYCMPRP-LJQANCHMSA-N 0 3 353.466 3.317 40 0 FGABHN Cc1ccsc1CN1CCC[C@](C)(c2nc3c(c(C)n2)CC(=O)N3C)C1 ZINC000257232231 497393908 /nfs/dbraw/zinc/39/39/08/497393908.db2.gz GJXMRONOBKEOBF-FQEVSTJZSA-N 0 3 370.522 3.228 40 0 FGABHN Cc1ncsc1CN1CCC(c2nccnc2-c2cncn2C)CC1 ZINC000257260717 497396252 /nfs/dbraw/zinc/39/62/52/497396252.db2.gz LEAKEAZLOQPSCS-UHFFFAOYSA-N 0 3 354.483 3.022 40 0 FGABHN Cn1cncc1-c1cncc(C2CCN(Cc3ccccc3F)CC2)n1 ZINC000257271494 497397456 /nfs/dbraw/zinc/39/74/56/497397456.db2.gz MYOQTFGHCZNTTO-UHFFFAOYSA-N 0 3 351.429 3.396 40 0 FGABHN Cc1ccc(S(=O)(=O)N2CCC(N3CCc4ccccc4C3)CC2)cc1 ZINC000408613036 499593020 /nfs/dbraw/zinc/59/30/20/499593020.db2.gz WPNTVFWEUGEPTG-UHFFFAOYSA-N 0 3 370.518 3.206 40 0 FGABHN C[C@@]1(O)CCN(CC2CC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000604383322 506809365 /nfs/dbraw/zinc/80/93/65/506809365.db2.gz WAEITXBTIFRCSE-JAXLGGSGSA-N 0 3 356.510 3.269 40 0 biogenic,in-vitro FGABHN COc1ccccc1CN1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000585260832 507579755 /nfs/dbraw/zinc/57/97/55/507579755.db2.gz IMUCGBIBJZNRCP-SIKLNZKXSA-N 0 3 350.462 3.334 40 0 FGABHN CN1CCN(Cc2cncs2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000585261156 507580765 /nfs/dbraw/zinc/58/07/65/507580765.db2.gz UQDWREQTYJBZJL-INIZCTEOSA-N 0 3 352.507 3.298 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284979 507584950 /nfs/dbraw/zinc/58/49/50/507584950.db2.gz MRKFDYQQWHHOIB-GOSISDBHSA-N 0 3 366.461 3.395 40 0 FGABHN CN(CCOc1ccccc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585289908 507585633 /nfs/dbraw/zinc/58/56/33/507585633.db2.gz XDZLGCIHOFEADO-PWRODBHTSA-N 0 3 359.441 3.497 40 0 FGABHN COc1ccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1 ZINC000078578668 523712938 /nfs/dbraw/zinc/71/29/38/523712938.db2.gz VQIMPJBAYMPGMN-UHFFFAOYSA-N 0 3 354.450 3.098 40 0 FGABHN CCc1cnc(N2CCC3(CC(N(C)Cc4ccccn4)C3)CC2)nc1 ZINC000096159265 536056370 /nfs/dbraw/zinc/05/63/70/536056370.db2.gz AOXOKJCSVUIMEC-UHFFFAOYSA-N 0 3 351.498 3.315 40 0 FGABHN Cc1cccnc1CN1CCC2(CCCN(Cc3ccncc3)C2=O)CC1 ZINC000108527886 209288901 /nfs/dbraw/zinc/28/89/01/209288901.db2.gz JSAAQHZSRZWVLT-UHFFFAOYSA-N 0 3 364.493 3.190 40 0 FGABHN COc1ccc(C[C@H]2CN(Cc3cccnc3OC)CC[C@H]2OC)cc1 ZINC000096209450 209135665 /nfs/dbraw/zinc/13/56/65/209135665.db2.gz SEMGATBJGHOXSN-AZUAARDMSA-N 0 3 356.466 3.178 40 0 FGABHN CN(C)[C@H]1CCN(C(=O)c2cc3c(c4ccccc4n3CC3CC3)n2C)C1 ZINC000096146501 209122300 /nfs/dbraw/zinc/12/23/00/209122300.db2.gz VDHMWIYSFHNSKA-INIZCTEOSA-N 0 3 364.493 3.319 40 0 FGABHN Cc1ccc(CN2CCOC[C@]3(CCN(Cc4nccs4)C3)C2)s1 ZINC000096062426 209106376 /nfs/dbraw/zinc/10/63/76/209106376.db2.gz UIURYFJAWBQFKF-SFHVURJKSA-N 0 3 363.552 3.238 40 0 FGABHN CCOC(=O)[C@@H]1C(c2ccccc2Cl)[C@H](C(=O)OCC)[C@@H](C)N[C@@H]1C ZINC000005328094 207094678 /nfs/dbraw/zinc/09/46/78/207094678.db2.gz NEWAJILYNWSANI-WVKAWXBWSA-N 0 3 367.873 3.162 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000005572745 207106767 /nfs/dbraw/zinc/10/67/67/207106767.db2.gz SNKBOBDWDBNOPR-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1ccc(CN(C)C[C@@H](O)COCC2=CC[C@H]3C[C@@H]2C3(C)C)cc1 ZINC000007063393 207185352 /nfs/dbraw/zinc/18/53/52/207185352.db2.gz LXVDMUCOTJZXFF-ZVDOUQERSA-N 0 3 359.510 3.497 40 0 FGABHN COc1cccc(CN2CCC(O)(Cn3ccc4ccncc43)CC2)c1 ZINC000012222682 207349606 /nfs/dbraw/zinc/34/96/06/207349606.db2.gz DFUGMWUAUJYISZ-UHFFFAOYSA-N 0 3 351.450 3.072 40 0 FGABHN O[C@]1(c2ccccc2)CCN(Cc2ccccc2OC[C@@H]2CCCO2)C1 ZINC000012241351 207351575 /nfs/dbraw/zinc/35/15/75/207351575.db2.gz NENIBONWCBTBBS-RBBKRZOGSA-N 0 3 353.462 3.338 40 0 FGABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293319 207353348 /nfs/dbraw/zinc/35/33/48/207353348.db2.gz WRNMOFLGJASCSV-VQTJNVASSA-N 0 3 369.461 3.079 40 0 FGABHN COc1cccc([C@@H]2C[NH2+]C[C@H]2c2cc(=O)[n-]c(N3CCCCCC3)n2)c1 ZINC000012329869 207363641 /nfs/dbraw/zinc/36/36/41/207363641.db2.gz BUUXUSDQGFKFCL-ZWKOTPCHSA-N 0 3 368.481 3.042 40 0 FGABHN Cc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329424 207363700 /nfs/dbraw/zinc/36/37/00/207363700.db2.gz JJEXCFPEDNMFBP-VQTJNVASSA-N 0 3 353.462 3.379 40 0 FGABHN CC(C)[C@H](N)C(=O)N(C(C)C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000079391473 208247733 /nfs/dbraw/zinc/24/77/33/208247733.db2.gz IBJIRJWFTKLTPW-GPANFISMSA-N 0 3 355.523 3.043 40 0 FGABHN FC1(F)CCN(Cc2cccs2)C[C@]12CCN(c1ncccn1)C2 ZINC000096051164 209103356 /nfs/dbraw/zinc/10/33/56/209103356.db2.gz BLPHMHGAGUSMEV-INIZCTEOSA-N 0 3 350.438 3.276 40 0 FGABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096048083 209100481 /nfs/dbraw/zinc/10/04/81/209100481.db2.gz USMMEIKCFYMOMW-NRFANRHFSA-N 0 3 369.484 3.476 40 0 FGABHN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096048054 209099842 /nfs/dbraw/zinc/09/98/42/209099842.db2.gz OUUVDMGXIQMNNV-OAQYLSRUSA-N 0 3 369.484 3.476 40 0 FGABHN COc1ccc(CN2CCC[C@]3(C[C@@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048468 209099334 /nfs/dbraw/zinc/09/93/34/209099334.db2.gz HUUGNFFMTNKIER-NQIIRXRSSA-N 0 3 368.481 3.029 40 0 FGABHN C[C@@H]1CCCCN1C[C@H](O)COc1c(F)cc(Br)cc1F ZINC000003893514 493859184 /nfs/dbraw/zinc/85/91/84/493859184.db2.gz JUCCUWNVDDWOLY-PWSUYJOCSA-N 0 3 364.230 3.341 40 0 FGABHN C[C@@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013674999 494292288 /nfs/dbraw/zinc/29/22/88/494292288.db2.gz UDZUYLAPGIFGQW-GASCZTMLSA-N 0 3 358.935 3.127 40 0 FGABHN Cc1ccc(O[C@H](C)C(=O)N(C[C@H]2CCCO2)C2CCN(C)CC2)cc1C ZINC000019214101 494437665 /nfs/dbraw/zinc/43/76/65/494437665.db2.gz BEHWTJNHLGZWKZ-WIYYLYMNSA-N 0 3 374.525 3.173 40 0 FGABHN OCCOc1ccc(CN2[C@@H]3CC[C@H]2CC(O)(c2cccc(F)c2)C3)cc1 ZINC000019293622 494440897 /nfs/dbraw/zinc/44/08/97/494440897.db2.gz YBTFVTGJMOMHNH-RLAPIPATSA-N 0 3 371.452 3.211 40 0 FGABHN O=C(NC1CCN(CC2(c3ccccc3F)CCCC2)CC1)c1ccn[nH]1 ZINC000019347919 494442512 /nfs/dbraw/zinc/44/25/12/494442512.db2.gz LLAGZMCABMXHPH-UHFFFAOYSA-N 0 3 370.472 3.255 40 0 FGABHN COc1cc2[nH]c(C(=O)N[C@@H](C)CN3CCCCCC3)cc2c(OC)c1 ZINC000019456147 494444659 /nfs/dbraw/zinc/44/46/59/494444659.db2.gz BHAZPSGCCAVKKW-AWEZNQCLSA-N 0 3 359.470 3.179 40 0 FGABHN CCOc1ccc(CN2CCc3nc([C@H]4CCCN(C)C4)ncc3C2)cc1 ZINC000019533366 494447685 /nfs/dbraw/zinc/44/76/85/494447685.db2.gz CZLCWJHWNNONNS-SFHVURJKSA-N 0 3 366.509 3.243 40 0 FGABHN CCOc1ccc(CN2CCC[C@H](c3nc(C)c(C)c(=O)[nH]3)C2)cc1OC ZINC000019533816 494449126 /nfs/dbraw/zinc/44/91/26/494449126.db2.gz QBDMHTTZECGOOW-KRWDZBQOSA-N 0 3 371.481 3.174 40 0 FGABHN Cc1nccn1CC1CCN(Cc2cnc(N3CCC[C@@H](C)C3)nc2)CC1 ZINC000019715674 494457457 /nfs/dbraw/zinc/45/74/57/494457457.db2.gz XNZULNFLLWDXHL-QGZVFWFLSA-N 0 3 368.529 3.130 40 0 FGABHN Cc1ccc(OCCN(C)C)c(NC(=O)c2cn3cccc(C)c3n2)c1 ZINC000019718773 494457671 /nfs/dbraw/zinc/45/76/71/494457671.db2.gz RAJJZQYWONUZOT-UHFFFAOYSA-N 0 3 352.438 3.144 40 0 FGABHN CCn1ncc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247832806 496920538 /nfs/dbraw/zinc/92/05/38/496920538.db2.gz LXHRRDLKTCIKNR-ORYQWCPZSA-N 0 3 357.473 3.470 40 0 FGABHN CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223263457 497034093 /nfs/dbraw/zinc/03/40/93/497034093.db2.gz QMHSLANSMXULGU-RTBURBONSA-N 0 3 371.554 3.054 40 0 FGABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 ZINC000223253509 497034744 /nfs/dbraw/zinc/03/47/44/497034744.db2.gz UZBMNNJJKJTRCZ-LSDHHAIUSA-N 0 3 366.943 3.331 40 0 FGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cn1 ZINC000225931154 497079539 /nfs/dbraw/zinc/07/95/39/497079539.db2.gz KJBFFPMJJPCTKK-UHFFFAOYSA-N 0 3 353.466 3.473 40 0 FGABHN COC1CCN(C(=O)c2ncccc2-c2cccc(CN(C)C)c2)CC1 ZINC000257212819 497390445 /nfs/dbraw/zinc/39/04/45/497390445.db2.gz CFBVJXWYPMQBLK-UHFFFAOYSA-N 0 3 353.466 3.061 40 0 FGABHN O=C(Nc1nccs1)c1cccc([C@@H]2CCCN2CC2CCOCC2)n1 ZINC000257224072 497391727 /nfs/dbraw/zinc/39/17/27/497391727.db2.gz FAFBHTKRGLDNCG-KRWDZBQOSA-N 0 3 372.494 3.354 40 0 FGABHN CCNc1nc(C)c(C(=O)N2CCCC[C@@H]3N(C)CCC[C@@]32C)s1 ZINC000257219627 497391834 /nfs/dbraw/zinc/39/18/34/497391834.db2.gz DHMBZJPOSRXVIE-KSSFIOAISA-N 0 3 350.532 3.362 40 0 FGABHN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C[C@H]3CCOC3)cc2N1 ZINC000257294176 497399225 /nfs/dbraw/zinc/39/92/25/497399225.db2.gz QSXDIHZYCFTLOZ-RJZRQDKASA-N 0 3 358.408 3.364 40 0 FGABHN CC(C)N(Cc1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1O ZINC000257297721 497400896 /nfs/dbraw/zinc/40/08/96/497400896.db2.gz RIOXUNPPENBUPW-SFTDATJTSA-N 0 3 368.477 3.279 40 0 FGABHN c1cncc(-c2ccc3nc([C@@H]4CCN(Cc5ccncc5)C4)nn3c2)c1 ZINC000306134836 498741086 /nfs/dbraw/zinc/74/10/86/498741086.db2.gz NZJWUXJZYWXFAX-LJQANCHMSA-N 0 3 356.433 3.176 40 0 FGABHN Cc1ccc(CN2CCO[C@@]3(CCCC[C@@H]3NCc3cccnc3)C2)o1 ZINC000306140309 498741211 /nfs/dbraw/zinc/74/12/11/498741211.db2.gz UPLGBIPQGMCRFW-SFTDATJTSA-N 0 3 355.482 3.286 40 0 FGABHN C[C@@H](c1ccccc1)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104435 507571385 /nfs/dbraw/zinc/57/13/85/507571385.db2.gz NFMDMGGFVSHBOI-CVDCTZTESA-N 0 3 364.489 3.499 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2cccnc2)n1 ZINC000328976900 210126313 /nfs/dbraw/zinc/12/63/13/210126313.db2.gz FRDWKZJZRHAYHG-UHFFFAOYSA-N 0 3 368.872 3.331 40 0 FGABHN CC(C)[C@H](N)C(=O)N[C@H]1CC[C@H](N(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000100177777 210084654 /nfs/dbraw/zinc/08/46/54/210084654.db2.gz LLXDYWCPBMVTED-XHSDSOJGSA-N 0 3 355.523 3.043 40 0 FGABHN CCOC[C@H]1CCN(CC2CC2)C2(CN(C(=O)c3cc(C)oc3C)C2)C1 ZINC000306144536 210058131 /nfs/dbraw/zinc/05/81/31/210058131.db2.gz ZICKSACICDLPPF-SFHVURJKSA-N 0 3 360.498 3.250 40 0 FGABHN Cc1ccc(CN2CCO[C@]3(CCCC[C@@H]3NCc3cccnc3)C2)o1 ZINC000306140306 210055455 /nfs/dbraw/zinc/05/54/55/210055455.db2.gz UPLGBIPQGMCRFW-LEWJYISDSA-N 0 3 355.482 3.286 40 0 FGABHN COc1ncccc1CN1C[C@H]2Cc3ncc(-c4ccccc4)n3C[C@@H]2C1 ZINC000306129164 210051249 /nfs/dbraw/zinc/05/12/49/210051249.db2.gz HWGOUQUQAYZHKI-MOPGFXCFSA-N 0 3 360.461 3.258 40 0 FGABHN COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1cccs1)CC2 ZINC000247846096 222952132 /nfs/dbraw/zinc/95/21/32/222952132.db2.gz MRMGBLFDEDGTFB-MRXNPFEDSA-N 0 3 374.506 3.342 40 0 FGABHN Cc1nc(Nc2nccnc2C2CCN([C@@H]3CCOC3)CC2)sc1C ZINC000257262373 223042261 /nfs/dbraw/zinc/04/22/61/223042261.db2.gz LLDSKLSXPUDJJB-OAHLLOKOSA-N 0 3 359.499 3.262 40 0 FGABHN Clc1ccc(CN(CCCN2CCOCC2)Cc2ccncc2)cc1 ZINC000013989974 220099639 /nfs/dbraw/zinc/09/96/39/220099639.db2.gz BAWZMTKTGJXMIJ-UHFFFAOYSA-N 0 3 359.901 3.460 40 0 FGABHN CCOc1cc2c(cc1CN(CCN(C)C)Cc1ccccn1)O[C@H](C)C2 ZINC000019532382 211230415 /nfs/dbraw/zinc/23/04/15/211230415.db2.gz WIKBVCGISUOZNN-QGZVFWFLSA-N 0 3 369.509 3.368 40 0 FGABHN CCOc1cc2c(cc1CN(CCN(C)C)Cc1cccnc1)O[C@H](C)C2 ZINC000019532386 211229497 /nfs/dbraw/zinc/22/94/97/211229497.db2.gz IQANHRYQSJKEQS-QGZVFWFLSA-N 0 3 369.509 3.368 40 0 FGABHN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1ccccn1 ZINC000019017778 211199623 /nfs/dbraw/zinc/19/96/23/211199623.db2.gz UNXRVUSFQKDFCB-NJDAHSKKSA-N 0 3 353.441 3.200 40 0 FGABHN COc1ccc(Oc2cncc(C3CCN([C@@H]4CCOC4)CC3)n2)cc1 ZINC000257228116 533036522 /nfs/dbraw/zinc/03/65/22/533036522.db2.gz FSIUCCVAJMDVAE-MRXNPFEDSA-N 0 3 355.438 3.246 40 0 FGABHN Cc1cccc(CN2CCC3(CO[C@@H](COc4cccnc4)C3)CC2)n1 ZINC000096106090 222025247 /nfs/dbraw/zinc/02/52/47/222025247.db2.gz LUJMZLLGKJFYSP-HXUWFJFHSA-N 0 3 353.466 3.235 40 0 FGABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1cccs1)CC2 ZINC000096051802 222002918 /nfs/dbraw/zinc/00/29/18/222002918.db2.gz PUSUNDDXMXQFRE-INIZCTEOSA-N 0 3 358.511 3.046 40 0 FGABHN CN(C)C(=O)[C@H]1OC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000096058375 222007798 /nfs/dbraw/zinc/00/77/98/222007798.db2.gz VRZTXHPQUHQMJC-FQEVSTJZSA-N 0 3 368.452 3.477 40 0 FGABHN Cc1noc(C)c1CN1CCC2(C[C@@H](OCCO)c3ccccc32)CC1 ZINC000096079248 222014976 /nfs/dbraw/zinc/01/49/76/222014976.db2.gz KYYSBOQKOQFLQJ-HXUWFJFHSA-N 0 3 356.466 3.279 40 0 FGABHN COCCN1CCC2(CC1)C[C@H](NC(=O)c1ccco1)c1ccccc1O2 ZINC000096242765 222097011 /nfs/dbraw/zinc/09/70/11/222097011.db2.gz FJYGYQAFPVQETL-KRWDZBQOSA-N 0 3 370.449 3.014 40 0 FGABHN Cc1nc(CO[C@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cs1 ZINC000096206276 222076202 /nfs/dbraw/zinc/07/62/02/222076202.db2.gz SWTWAFVZDCRHTB-GOSISDBHSA-N 0 3 359.495 3.187 40 0 FGABHN Cn1cccc1C(=O)N1CC[C@]2(C1)CCCN(CCOc1ccccc1)C2 ZINC000096216325 222081167 /nfs/dbraw/zinc/08/11/67/222081167.db2.gz XBDMPGJSMXGGBP-JOCHJYFZSA-N 0 3 367.493 3.032 40 0 FGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cc4ccccc4[nH]3)C2)C1 ZINC000096228735 222089180 /nfs/dbraw/zinc/08/91/80/222089180.db2.gz HZSNSKFAETVRCI-NRFANRHFSA-N 0 3 355.482 3.131 40 0 FGABHN c1csc(CN2CCC[C@]3(C2)COCCN(Cc2ccccn2)C3)c1 ZINC000096229317 222090840 /nfs/dbraw/zinc/09/08/40/222090840.db2.gz GKWXDZYIMJVOSE-HXUWFJFHSA-N 0 3 357.523 3.258 40 0 FGABHN Cc1ccc(OCCOC[C@H](O)CN2CCc3ccccc3C2)cc1C ZINC000004942396 493902106 /nfs/dbraw/zinc/90/21/06/493902106.db2.gz JWCPBPCISMFPBK-OAQYLSRUSA-N 0 3 355.478 3.118 40 0 FGABHN C[C@@H](c1ccccc1F)n1cc(C(=O)NCCN2[C@H](C)CCC[C@@H]2C)nn1 ZINC000004986369 493905869 /nfs/dbraw/zinc/90/58/69/493905869.db2.gz WVUUNZKCQDVQMJ-XHSDSOJGSA-N 0 3 373.476 3.019 40 0 FGABHN COc1ccc(CN2CCC[C@H](c3nccnc3-n3ccnc3C)C2)cc1 ZINC000072350515 494155598 /nfs/dbraw/zinc/15/55/98/494155598.db2.gz LBRLJUXAEJVIQX-SFHVURJKSA-N 0 3 363.465 3.359 40 0 FGABHN Cc1cccc(Oc2nccnc2C2CCN(C(=O)C(C)(C)N)CC2)c1 ZINC000072363070 494158305 /nfs/dbraw/zinc/15/83/05/494158305.db2.gz HAVBGIDAVLUZBY-UHFFFAOYSA-N 0 3 354.454 3.021 40 0 FGABHN CN(CCc1cn[nH]c1)Cc1ccccc1OCc1ccc2c(c1)OCO2 ZINC000012188563 494212784 /nfs/dbraw/zinc/21/27/84/494212784.db2.gz BAJLCHMMQKSLBY-UHFFFAOYSA-N 0 3 365.433 3.392 40 0 FGABHN COc1ccccc1C1(O)CCN(Cc2ccc(-n3cccn3)cc2)CC1 ZINC000012344403 494226422 /nfs/dbraw/zinc/22/64/22/494226422.db2.gz WEPVXGRJNPEEFZ-UHFFFAOYSA-N 0 3 363.461 3.365 40 0 FGABHN Cc1cccc(CN2CC3(CC2=O)CCN(Cc2ncccc2C)CC3)n1 ZINC000108525196 494729386 /nfs/dbraw/zinc/72/93/86/494729386.db2.gz IWRLGAPAXAOXDA-UHFFFAOYSA-N 0 3 364.493 3.108 40 0 FGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(F)cc3)n2)cc1OCC ZINC000095534496 494989793 /nfs/dbraw/zinc/98/97/93/494989793.db2.gz CQVYZWJGNAVSIZ-KRWDZBQOSA-N 0 3 356.401 3.456 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)Cc2cccnc2)C3)o1 ZINC000096047118 494998679 /nfs/dbraw/zinc/99/86/79/494998679.db2.gz JEWWMYVEJSAHGX-NRFANRHFSA-N 0 3 353.466 3.040 40 0 FGABHN COc1ccc(CN2CCC[C@@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048467 495000206 /nfs/dbraw/zinc/00/02/06/495000206.db2.gz HUUGNFFMTNKIER-GHTZIAJQSA-N 0 3 368.481 3.029 40 0 FGABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(Cc1ccsc1)C2 ZINC000585103059 507568872 /nfs/dbraw/zinc/56/88/72/507568872.db2.gz OQTSJAVNORJEKB-GOSISDBHSA-N 0 3 357.523 3.256 40 0 FGABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102709 507568885 /nfs/dbraw/zinc/56/88/85/507568885.db2.gz BGHOJESIWFUWOK-GOSISDBHSA-N 0 3 362.539 3.235 40 0 FGABHN C[C@H](N[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]1(C)O)c1ccccc1 ZINC000585261621 507581450 /nfs/dbraw/zinc/58/14/50/507581450.db2.gz XRWVQDARMZBJNF-UCNVEGJOSA-N 0 3 368.477 3.499 40 0 FGABHN Cc1nc2cc([C@@H]3CCCCN3)nn2c(C)c1CCC(=O)NC(C)(C)C ZINC000257334825 534647636 /nfs/dbraw/zinc/64/76/36/534647636.db2.gz YHMXOWLWGOJLFK-INIZCTEOSA-N 0 3 357.502 3.008 40 0 FGABHN CC[C@H](N)C(=O)N1CC[C@@H]2O[C@@H]3c4ccc(C)cc4OC(C)(C)[C@H]3C[C@@H]2C1 ZINC000257261814 529441358 /nfs/dbraw/zinc/44/13/58/529441358.db2.gz LIXGHPSCZJRZKW-SORZXXQLSA-N 0 3 372.509 3.198 40 0 FGABHN CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000257206523 530059026 /nfs/dbraw/zinc/05/90/26/530059026.db2.gz BDWBHNBZJSBDDO-ICSRJNTNSA-N 0 3 356.445 3.305 40 0 FGABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565123 211233496 /nfs/dbraw/zinc/23/34/96/211233496.db2.gz KHWKIJGJWWXLNX-KRWDZBQOSA-N 0 3 369.465 3.299 40 0 FGABHN COc1cc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC ZINC000019549840 211230222 /nfs/dbraw/zinc/23/02/22/211230222.db2.gz ACUYWIJYRNMARV-NEWSRXKRSA-N 0 3 372.509 3.042 40 0 FGABHN CC(C)CSc1ncc(CNCCc2nc3ccccc3n2C)cn1 ZINC000019447381 211221307 /nfs/dbraw/zinc/22/13/07/211221307.db2.gz GQEFVNXWKDXAGJ-UHFFFAOYSA-N 0 3 355.511 3.444 40 0 FGABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)C2ON1c1ccccc1 ZINC000013142867 211026526 /nfs/dbraw/zinc/02/65/26/211026526.db2.gz PJKMBJVXWCXJEX-FHWLQOOXSA-N 0 3 366.417 3.174 40 0 FGABHN CCOc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc1OC ZINC000019533928 220269112 /nfs/dbraw/zinc/26/91/12/220269112.db2.gz HVBUGBJWNVVDMW-SVMVAKDDSA-N 0 3 368.477 3.219 40 0 FGABHN CCN(CC)CCOC(=O)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000001671205 210364976 /nfs/dbraw/zinc/36/49/76/210364976.db2.gz HSSAWUQXYHLJOI-LJQANCHMSA-N 0 3 354.450 3.294 40 0 FGABHN CC[C@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)n1 ZINC000328960977 132371941 /nfs/dbraw/zinc/37/19/41/132371941.db2.gz AZVPCWNHWDWIRF-ZDUSSCGKSA-N 0 3 354.454 3.345 40 0 FGABHN Cc1ncsc1CN1CCC2(CCOC[C@H]2COCC2CC2)CC1 ZINC000096106489 222025384 /nfs/dbraw/zinc/02/53/84/222025384.db2.gz CQEZNNWGLJZPMO-KRWDZBQOSA-N 0 3 350.528 3.497 40 0 FGABHN Cc1nc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)cs1 ZINC000096107624 222026827 /nfs/dbraw/zinc/02/68/27/222026827.db2.gz WLNITLAHRCHDPK-IRXDYDNUSA-N 0 3 350.509 3.463 40 0 FGABHN Cc1cccc(CN2CCC3(C[C@H](Oc4ncccc4F)CO3)CC2)n1 ZINC000096107036 222027088 /nfs/dbraw/zinc/02/70/88/222027088.db2.gz HKRGPKSRVRTHLC-KRWDZBQOSA-N 0 3 357.429 3.127 40 0 FGABHN Cn1cc(CN2CCC[C@]3(CCC(=O)N3Cc3cccc(F)c3)CC2)cn1 ZINC000096047551 222000103 /nfs/dbraw/zinc/00/01/03/222000103.db2.gz BXNAJNNGGCGOGX-NRFANRHFSA-N 0 3 370.472 3.107 40 0 FGABHN O=C(CC1CCC2(CC1)CCN(Cc1ccco1)CC2)N1CCOCC1 ZINC000096049286 222001465 /nfs/dbraw/zinc/00/14/65/222001465.db2.gz USTWFQADXLODLF-UHFFFAOYSA-N 0 3 360.498 3.301 40 0 FGABHN CCCCCN1CCC2(CCCN2S(=O)(=O)c2ccccc2)CC1 ZINC000096075188 222012655 /nfs/dbraw/zinc/01/26/55/222012655.db2.gz BQQTWALFLROJQB-UHFFFAOYSA-N 0 3 350.528 3.496 40 0 FGABHN O=C(CCc1cccnc1)N1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C1 ZINC000096245517 222100315 /nfs/dbraw/zinc/10/03/15/222100315.db2.gz IIEGMLLZJXFTFE-KDURUIRLSA-N 0 3 369.896 3.258 40 0 FGABHN Cc1noc(C)c1CN1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC000096255275 222102336 /nfs/dbraw/zinc/10/23/36/222102336.db2.gz JAWUBSLANHYJKB-UHFFFAOYSA-N 0 3 352.413 3.488 40 0 FGABHN CC(C)N1CCN(c2ccc3ccc(C(=O)NC4CCCC4)cn32)CC1 ZINC000096156082 222056330 /nfs/dbraw/zinc/05/63/30/222056330.db2.gz YRYHWODSBCZIBC-UHFFFAOYSA-N 0 3 354.498 3.142 40 0 FGABHN O=C(c1cscn1)N1CCC2(CCCN(Cc3ccccn3)C2)CC1 ZINC000096158497 222057628 /nfs/dbraw/zinc/05/76/28/222057628.db2.gz ARXLWTHQRQLOKV-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN COc1ccccc1CN1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206028 222076485 /nfs/dbraw/zinc/07/64/85/222076485.db2.gz RZKLKBJOAYHMDZ-WIYYLYMNSA-N 0 3 353.466 3.326 40 0 FGABHN COc1cccc(C(=O)N2CCC[C@@H](N3CCc4ccccc4C3)C2)c1 ZINC000035835361 494082359 /nfs/dbraw/zinc/08/23/59/494082359.db2.gz BBEMCIMKDSHOGW-HXUWFJFHSA-N 0 3 350.462 3.358 40 0 FGABHN O=C(Nc1ccc2c(c1)OCCO2)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063589 494114098 /nfs/dbraw/zinc/11/40/98/494114098.db2.gz XNJBTFPVZGWAPJ-UHFFFAOYSA-N 0 3 370.424 3.448 40 0 FGABHN O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038858770 494118968 /nfs/dbraw/zinc/11/89/68/494118968.db2.gz ZIZUWOIDLVDRGV-QGZVFWFLSA-N 0 3 370.424 3.083 40 0 FGABHN Cc1nccn1-c1nccnc1[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072350504 494156186 /nfs/dbraw/zinc/15/61/86/494156186.db2.gz CAEBPYLBWQWKCJ-KRWDZBQOSA-N 0 3 351.429 3.489 40 0 FGABHN CC(=O)NC1(c2ccccc2)CCN(C[C@@H](O)c2ccc(C)c(C)c2)CC1 ZINC000012188318 494211140 /nfs/dbraw/zinc/21/11/40/494211140.db2.gz DHEGDKQALFVIBT-JOCHJYFZSA-N 0 3 366.505 3.464 40 0 FGABHN Cc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293332 494220695 /nfs/dbraw/zinc/22/06/95/494220695.db2.gz RHBAEUWDTMCWSD-WOJBJXKFSA-N 0 3 353.462 3.379 40 0 FGABHN C[C@H]1C[C@H](C)CN(CCCNS(=O)(=O)Cc2ccc(Cl)cc2)C1 ZINC000013676411 494292650 /nfs/dbraw/zinc/29/26/50/494292650.db2.gz ACKRNUVCLWYFQQ-GJZGRUSLSA-N 0 3 358.935 3.127 40 0 FGABHN Cn1cc(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cn1 ZINC000019704719 494455496 /nfs/dbraw/zinc/45/54/96/494455496.db2.gz PYILHLJDZOYJJY-OAHLLOKOSA-N 0 3 371.872 3.365 40 0 FGABHN Cc1ncsc1CN1CCC2(CC(NC(=O)c3cccnc3)C2)CC1 ZINC000108535213 494731851 /nfs/dbraw/zinc/73/18/51/494731851.db2.gz DYUHWSILWPWLEU-UHFFFAOYSA-N 0 3 356.495 3.021 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)C[C@@H](Nc2ncccn2)CCO3)s1 ZINC000108528671 494732097 /nfs/dbraw/zinc/73/20/97/494732097.db2.gz QBNBQLWBKJPGHL-INIZCTEOSA-N 0 3 358.511 3.472 40 0 FGABHN Cc1ncsc1CN1CC[C@H]2OCCC[C@]2(COc2cccnc2)C1 ZINC000096040048 494997690 /nfs/dbraw/zinc/99/76/90/494997690.db2.gz BMHZUFYHTAGWDH-RTBURBONSA-N 0 3 359.495 3.297 40 0 FGABHN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)COC)cc1 ZINC000218519846 497003471 /nfs/dbraw/zinc/00/34/71/497003471.db2.gz LIOYCOABXWMXEA-HBMCJLEFSA-N 0 3 373.518 3.089 40 0 FGABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C(Cl)(Cl)Cl ZINC000225589781 497068761 /nfs/dbraw/zinc/06/87/61/497068761.db2.gz GSAFDLQLYWWSTR-UHFFFAOYSA-N 0 3 351.661 3.470 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C ZINC000257332729 497403871 /nfs/dbraw/zinc/40/38/71/497403871.db2.gz XYKYWDWTDGVVSZ-BZSNNMDCSA-N 0 3 358.530 3.228 40 0 FGABHN Cc1ccccc1CN1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585103285 507568064 /nfs/dbraw/zinc/56/80/64/507568064.db2.gz AVDZGKXVEVGDOW-HSZRJFAPSA-N 0 3 364.489 3.246 40 0 FGABHN O=C(c1nccc2ccccc21)N1CCC[C@@]2(CCN2C[C@H]2CCCO2)C1 ZINC000585102108 507569104 /nfs/dbraw/zinc/56/91/04/507569104.db2.gz RVRDORXXJHDBFO-XMSQKQJNSA-N 0 3 365.477 3.094 40 0 FGABHN Cc1cc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)C(C)(C)C)[C@H]3C2)n(C)n1 ZINC000585109585 507573839 /nfs/dbraw/zinc/57/38/39/507573839.db2.gz XKWHXDBELXQQPY-SLFFLAALSA-N 0 3 366.509 3.161 40 0 FGABHN Cc1ccc2cc(CNC[C@H](O)COc3ccc(Cl)cc3)c(=O)[nH]c2c1 ZINC000585285780 507586982 /nfs/dbraw/zinc/58/69/82/507586982.db2.gz TXRMMSZQVKFYSI-KRWDZBQOSA-N 0 3 372.852 3.432 40 0 FGABHN Cc1nc(C[C@@H]2CCCN(Cc3ccsc3)C2)cc(C(=O)N(C)C)n1 ZINC000257225833 534410177 /nfs/dbraw/zinc/41/01/77/534410177.db2.gz FIBPHVVBVHDNOI-HNNXBMFYSA-N 0 3 358.511 3.003 40 0 FGABHN COc1cccc(C(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1 ZINC000078578719 525820703 /nfs/dbraw/zinc/82/07/03/525820703.db2.gz RRDNSDHRGCGBNR-UHFFFAOYSA-N 0 3 354.450 3.098 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@@H](Cc2cccc3ncccc23)C1 ZINC000257286235 529775103 /nfs/dbraw/zinc/77/51/03/529775103.db2.gz PKVASMSXXAVPRV-INIZCTEOSA-N 0 3 352.507 3.298 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2Cl)cc(C2CC2)n1 ZINC000329014384 210131560 /nfs/dbraw/zinc/13/15/60/210131560.db2.gz MVQUXKXRYKUIGU-UHFFFAOYSA-N 0 3 366.296 3.222 40 0 FGABHN COc1ccccc1-c1cnc2n1C[C@@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306143685 210058682 /nfs/dbraw/zinc/05/86/82/210058682.db2.gz YIXZZYWRJMQNTR-QFIPXVFZSA-N 0 3 360.461 3.402 40 0 FGABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3cccnc3)C1)C2 ZINC000306143666 210057219 /nfs/dbraw/zinc/05/72/19/210057219.db2.gz YIMBSWNVORRCCR-JOCHJYFZSA-N 0 3 360.461 3.402 40 0 FGABHN Cc1ncc(-c2nccnc2CC2CCN(Cc3cccnc3)CC2)n1C ZINC000257271892 223046225 /nfs/dbraw/zinc/04/62/25/223046225.db2.gz NAFOGGRPVDDWIR-UHFFFAOYSA-N 0 3 362.481 3.035 40 0 FGABHN Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cc(CC(C)C)no3)C2)n1 ZINC000257278263 223048165 /nfs/dbraw/zinc/04/81/65/223048165.db2.gz OBNLUIXMIPEFRW-OAHLLOKOSA-N 0 3 356.470 3.272 40 0 FGABHN Cc1ncsc1CN1CCC(Cc2cnc(-c3ncc[nH]3)cn2)CC1 ZINC000257292385 223054388 /nfs/dbraw/zinc/05/43/88/223054388.db2.gz QLFSCADKPZCLNC-UHFFFAOYSA-N 0 3 354.483 3.086 40 0 FGABHN CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)C1CCN(C)CC1 ZINC000019656535 211243105 /nfs/dbraw/zinc/24/31/05/211243105.db2.gz CWCUBRMNAVXZOU-UHFFFAOYSA-N 0 3 374.460 3.141 40 0 FGABHN CC(C)c1cc(C(=O)N2CCc3nc([C@H]4CCCN4)ncc3C2)cs1 ZINC000019452206 211223304 /nfs/dbraw/zinc/22/33/04/211223304.db2.gz BJMKLJWVPYFJOQ-MRXNPFEDSA-N 0 3 356.495 3.285 40 0 FGABHN CCOc1ccc(CN2CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C2)cc1OC ZINC000019522502 211227579 /nfs/dbraw/zinc/22/75/79/211227579.db2.gz IOHVLZHQNJBHTN-MRXNPFEDSA-N 0 3 371.481 3.119 40 0 FGABHN O[C@@]1(c2ccccn2)CC[C@H]2CN(Cc3c[nH]nc3-c3cccs3)C[C@H]21 ZINC000019402282 211220812 /nfs/dbraw/zinc/22/08/12/211220812.db2.gz YCBFYGLYHCSMMH-NBQZKYEYSA-N 0 3 366.490 3.263 40 0 FGABHN O=C(CCc1ccc(Cl)cc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 ZINC000019333569 211215835 /nfs/dbraw/zinc/21/58/35/211215835.db2.gz XXXRFBMEHXUYJM-SFHVURJKSA-N 0 3 370.884 3.072 40 0 FGABHN COc1cccc(-c2cc(C(=O)N3CCC[C@@H]4N(C)CCC[C@@]43C)[nH]n2)c1 ZINC000257333980 533367234 /nfs/dbraw/zinc/36/72/34/533367234.db2.gz YDZJDMDZADLHAF-FPOVZHCZSA-N 0 3 368.481 3.174 40 0 FGABHN Cc1nc([C@@H]2CCCN2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000257290510 132296821 /nfs/dbraw/zinc/29/68/21/132296821.db2.gz QDFSWTWCWXEGTP-SFHVURJKSA-N 0 3 350.466 3.122 40 0 FGABHN Cc1cccc(CO[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)n1 ZINC000096106804 222025431 /nfs/dbraw/zinc/02/54/31/222025431.db2.gz SPWDDPXIVQZZMT-HXUWFJFHSA-N 0 3 353.466 3.125 40 0 FGABHN COc1ccc(O[C@H]2COCCN(Cc3c[nH]c4ccccc34)C2)cc1 ZINC000096113226 222031170 /nfs/dbraw/zinc/03/11/70/222031170.db2.gz VOMVVSQPDWIECJ-LJQANCHMSA-N 0 3 352.434 3.456 40 0 biogenic,in-vitro FGABHN O=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050765 222002083 /nfs/dbraw/zinc/00/20/83/222002083.db2.gz HXLNDTYQYJXUSI-IBGZPJMESA-N 0 3 356.447 3.106 40 0 FGABHN Cn1ccc(C(=O)N[C@@H]2CCC23CCN(Cc2ccc(F)cc2)CC3)c1 ZINC000096051698 222002399 /nfs/dbraw/zinc/00/23/99/222002399.db2.gz CJUOXRNNGGGPMX-LJQANCHMSA-N 0 3 355.457 3.339 40 0 FGABHN COc1ccc(CN2CCOC[C@]3(CCN(Cc4cccs4)C3)C2)cc1 ZINC000096062404 222008719 /nfs/dbraw/zinc/00/87/19/222008719.db2.gz HOGMRNNLBUQERZ-NRFANRHFSA-N 0 3 372.534 3.481 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)OCCN(CCO)c2ccccc23)s1 ZINC000096243972 222099151 /nfs/dbraw/zinc/09/91/51/222099151.db2.gz ALVXRIJOPYBLPL-UHFFFAOYSA-N 0 3 372.534 3.377 40 0 FGABHN Cc1ccc(CN2CCOC3(CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000096158886 222057921 /nfs/dbraw/zinc/05/79/21/222057921.db2.gz GFLFASZKUPTJJU-UHFFFAOYSA-N 0 3 351.494 3.257 40 0 FGABHN COc1cccc(CN2CCC3(CCN(c4ncc(C)cn4)C3)CC2)c1 ZINC000096157607 222058877 /nfs/dbraw/zinc/05/88/77/222058877.db2.gz LHAOLTGJEGDQSF-UHFFFAOYSA-N 0 3 352.482 3.286 40 0 FGABHN c1cc(CN2CCC3(CCOC[C@@H]3COc3cnccn3)CC2)cs1 ZINC000096209746 222080368 /nfs/dbraw/zinc/08/03/68/222080368.db2.gz HTBAKOCAHLFWOK-QGZVFWFLSA-N 0 3 359.495 3.236 40 0 FGABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccc[nH]4)C3)C2)c1 ZINC000096215628 222080544 /nfs/dbraw/zinc/08/05/44/222080544.db2.gz AAUFDWDIEWHLSZ-OAQYLSRUSA-N 0 3 353.466 3.152 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)C1(c3ccccc3)CC1)[C@@H](CN(C)C)CO2 ZINC000100738667 222251122 /nfs/dbraw/zinc/25/11/22/222251122.db2.gz CTCQRGXBVVJAIM-FQEVSTJZSA-N 0 3 364.489 3.378 40 0 FGABHN c1ccc(CN2CC[C@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150357 222263062 /nfs/dbraw/zinc/26/30/62/222263062.db2.gz SVLVBPZYBXWCGJ-QFIPXVFZSA-N 0 3 358.445 3.213 40 0 FGABHN Cc1ccc(CN2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 ZINC000009063169 494114073 /nfs/dbraw/zinc/11/40/73/494114073.db2.gz WQGQVATXVXXKHR-UHFFFAOYSA-N 0 3 363.461 3.192 40 0 FGABHN CC(=O)N1Cc2ccccc2OC2(CCN(Cc3ccccc3)CC2)C1 ZINC000072394333 494163414 /nfs/dbraw/zinc/16/34/14/494163414.db2.gz BGJNGRZDKVRXBN-UHFFFAOYSA-N 0 3 350.462 3.462 40 0 FGABHN CCn1ncc(CN2Cc3cc(C)ccc3OC3(CCN(C)CC3)C2)c1C ZINC000072394187 494163546 /nfs/dbraw/zinc/16/35/46/494163546.db2.gz PEOJKIVCLMTDPQ-UHFFFAOYSA-N 0 3 368.525 3.379 40 0 FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@@H](O)c2ccc3c(c2)CCC3)C1 ZINC000012292580 494220066 /nfs/dbraw/zinc/22/00/66/494220066.db2.gz WLTDFPCOGHSCOJ-GGAORHGYSA-N 0 3 367.489 3.201 40 0 FGABHN COc1ccc(CN2CCC(c3noc(-c4cnc(C)cn4)n3)CC2)cc1 ZINC000012337360 494225468 /nfs/dbraw/zinc/22/54/68/494225468.db2.gz SJWAPWLKHPUAEC-UHFFFAOYSA-N 0 3 365.437 3.223 40 0 FGABHN CC[C@H](CN1CCCC1)NC(=O)Cc1c(C)oc2c1C(=O)CC(C)(C)C2 ZINC000012362814 494226782 /nfs/dbraw/zinc/22/67/82/494226782.db2.gz YAWJAMWIEJBPAN-OAHLLOKOSA-N 0 3 360.498 3.276 40 0 FGABHN Cc1ccc2c(c1)CN(C(=O)CCc1ccccc1)[C@H](CN(C)C)CO2 ZINC000012406637 494229779 /nfs/dbraw/zinc/22/97/79/494229779.db2.gz BABHTGHUOVDXPU-HXUWFJFHSA-N 0 3 352.478 3.279 40 0 FGABHN Cc1ccn(C[C@@H](C)NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)n1 ZINC000012670746 494249311 /nfs/dbraw/zinc/24/93/11/494249311.db2.gz PQNRHYLQKZDPEH-CQSZACIVSA-N 0 3 356.857 3.379 40 0 FGABHN COc1ccc2c(c1)C=C(CN1CC[C@H]3[C@H]1CCCCCN3C(C)=O)CO2 ZINC000019712172 494455852 /nfs/dbraw/zinc/45/58/52/494455852.db2.gz WXEXFIBOJWTMKF-RTWAWAEBSA-N 0 3 370.493 3.336 40 0 FGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000046724190 494556971 /nfs/dbraw/zinc/55/69/71/494556971.db2.gz VRXPTDFEAFEIHA-UHFFFAOYSA-N 0 3 368.477 3.314 40 0 FGABHN O=C1N(C[C@H]2CCCO2)c2ccccc2C12CCN(Cc1ccco1)CC2 ZINC000109754237 494914264 /nfs/dbraw/zinc/91/42/64/494914264.db2.gz MGOZBLFOQYYEPH-GOSISDBHSA-N 0 3 366.461 3.339 40 0 FGABHN CCOc1ccc(-c2nc([C@H](N)c3ccc(OC)cc3)n[nH]2)cc1OCC ZINC000095533774 494989139 /nfs/dbraw/zinc/98/91/39/494989139.db2.gz PCMNTTSVLSVYGR-GOSISDBHSA-N 0 3 368.437 3.326 40 0 FGABHN Cc1ccsc1CN1CC[C@H]2C[C@@H](C(=O)Nc3cccnc3)O[C@@H]2C1 ZINC000096043072 494998601 /nfs/dbraw/zinc/99/86/01/494998601.db2.gz SUCXTXDTVQHTOX-BHYGNILZSA-N 0 3 357.479 3.070 40 0 FGABHN CCn1cc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c(C)n1 ZINC000248046940 496947219 /nfs/dbraw/zinc/94/72/19/496947219.db2.gz VUTKKGDZKVMGFB-NDXORKPFSA-N 0 3 357.473 3.470 40 0 FGABHN CC[C@@H]1CCCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222896761 497029582 /nfs/dbraw/zinc/02/95/82/497029582.db2.gz RNTRTQHSNOVVIB-OAHLLOKOSA-N 0 3 374.934 3.282 40 0 FGABHN Cc1ccsc1CN1Cc2cccn2C[C@@H](CC(=O)NCC2CC2)C1 ZINC000585099001 507566918 /nfs/dbraw/zinc/56/69/18/507566918.db2.gz AJAMKVMODURMQO-KRWDZBQOSA-N 0 3 357.523 3.406 40 0 FGABHN Cc1ccc(CN2CC3(C2)C[C@H](COCc2ccncc2)CCN3C)o1 ZINC000585102826 507568112 /nfs/dbraw/zinc/56/81/12/507568112.db2.gz JBJXIFDQSZCBHM-LJQANCHMSA-N 0 3 355.482 3.096 40 0 FGABHN CCNc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4N(C)C3)s1 ZINC000257341675 528441239 /nfs/dbraw/zinc/44/12/39/528441239.db2.gz ZLKCUGNRDIWBJK-QCUYGVNKSA-N 0 3 362.543 3.361 40 0 FGABHN c1ccc(CN2C[C@]3(CCN(Cc4ccncc4)C3)c3ncccc32)nc1 ZINC000306145048 210060531 /nfs/dbraw/zinc/06/05/31/210060531.db2.gz ZWBQWKFXPCZHJN-JOCHJYFZSA-N 0 3 357.461 3.036 40 0 FGABHN c1csc(CN[C@H]2CCc3nc(NCc4ccccc4)ncc3C2)n1 ZINC000306129527 210051024 /nfs/dbraw/zinc/05/10/24/210051024.db2.gz IGDCPDAUGRBRTK-INIZCTEOSA-N 0 3 351.479 3.192 40 0 FGABHN Cc1cccc(CN2CC[C@@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306124243 210049786 /nfs/dbraw/zinc/04/97/86/210049786.db2.gz BKKCQDSPNFDOIA-LJQANCHMSA-N 0 3 370.460 3.484 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 ZINC000257227864 223029698 /nfs/dbraw/zinc/02/96/98/223029698.db2.gz FRGWSSCCQGFTND-OAHLLOKOSA-N 0 3 368.510 3.330 40 0 FGABHN O=C(NCc1ccccc1CN1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000030551611 211522920 /nfs/dbraw/zinc/52/29/20/211522920.db2.gz CLTOTAZSPSZOJM-UHFFFAOYSA-N 0 3 366.461 3.374 40 0 FGABHN CN(C)[C@H](CNC(=O)C1(c2ccccc2)CCOCC1)c1ccccc1 ZINC000038628581 211444031 /nfs/dbraw/zinc/44/40/31/211444031.db2.gz MGFFJCUWCJKARW-HXUWFJFHSA-N 0 3 352.478 3.154 40 0 FGABHN CC(C)c1nnc(CC(=O)Nc2cccc(CN3CCCC[C@@H]3C)c2)[nH]1 ZINC000019718453 211251245 /nfs/dbraw/zinc/25/12/45/211251245.db2.gz IASUWCMESKWSBO-HNNXBMFYSA-N 0 3 355.486 3.484 40 0 FGABHN Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNCCc3ccco3)cc12 ZINC000019565289 211234171 /nfs/dbraw/zinc/23/41/71/211234171.db2.gz FVQRACCCSBWYCD-UHFFFAOYSA-N 0 3 366.396 3.087 40 0 FGABHN Cc1nc2ccccn2c1CN1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2 ZINC000019555011 211230658 /nfs/dbraw/zinc/23/06/58/211230658.db2.gz CVHJBPGJRPWEIY-WMZHIEFXSA-N 0 3 374.488 3.281 40 0 FGABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ncccc4C)[C@@H]3C2)cc1OC ZINC000019237714 211209683 /nfs/dbraw/zinc/20/96/83/211209683.db2.gz HFHUVBGTTNBFTC-SVMVAKDDSA-N 0 3 368.477 3.137 40 0 FGABHN Clc1ccc(CN2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)cc1 ZINC000019341583 211216940 /nfs/dbraw/zinc/21/69/40/211216940.db2.gz SNJCSECZZHFTON-INIZCTEOSA-N 0 3 368.872 3.301 40 0 FGABHN O=c1cc(-c2ccncc2)nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]1 ZINC000019334058 211216364 /nfs/dbraw/zinc/21/63/64/211216364.db2.gz UTZQJQHDFKYZDK-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN Cc1ccc(C(=O)Nc2ccccc2CN2CCCCCC2)c(=O)n1C ZINC000019131878 211204911 /nfs/dbraw/zinc/20/49/11/211204911.db2.gz XMWQRYCPKKYSOE-UHFFFAOYSA-N 0 3 353.466 3.322 40 0 FGABHN O=S(=O)(NCc1ccccc1CN1CCCCC1)c1ccc(F)cc1 ZINC000015360755 211128209 /nfs/dbraw/zinc/12/82/09/211128209.db2.gz AKWDTPKCNYIDMY-UHFFFAOYSA-N 0 3 362.470 3.290 40 0 FGABHN COc1cccc(CN2CCC3(CC2)CCN(c2ncccn2)CC3)c1 ZINC000096158416 132221088 /nfs/dbraw/zinc/22/10/88/132221088.db2.gz YPRPRQIBJLEJDV-UHFFFAOYSA-N 0 3 352.482 3.368 40 0 FGABHN Cc1nc(CO[C@H]2COC3(C2)CCN(Cc2cccnc2)CC3)cs1 ZINC000096106798 222025613 /nfs/dbraw/zinc/02/56/13/222025613.db2.gz PEKJBZOHBVPERI-GOSISDBHSA-N 0 3 359.495 3.187 40 0 FGABHN COc1ccc2c(c1)nc1n2[C@@H](CNCc2cnc3ccccc3c2)COC1 ZINC000096112675 222030167 /nfs/dbraw/zinc/03/01/67/222030167.db2.gz KMEWRISBXHUIRV-KRWDZBQOSA-N 0 3 374.444 3.454 40 0 biogenic,in-vitro FGABHN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(Cc1nccs1)CC2 ZINC000096051792 222002684 /nfs/dbraw/zinc/00/26/84/222002684.db2.gz KQVKXZXULUHXTN-SFHVURJKSA-N 0 3 372.538 3.041 40 0 FGABHN Cc1noc(C)c1CN1CCOC[C@@]2(CCN(Cc3cccs3)C2)C1 ZINC000096062399 222009530 /nfs/dbraw/zinc/00/95/30/222009530.db2.gz OKXHOKGTJVQQHC-LJQANCHMSA-N 0 3 361.511 3.077 40 0 FGABHN Cc1cccc(S(=O)(=O)N2Cc3ccccc3C3(CCN(C)CC3)C2)c1 ZINC000096242391 222096935 /nfs/dbraw/zinc/09/69/35/222096935.db2.gz ZSUANYFOQUFBND-UHFFFAOYSA-N 0 3 370.518 3.163 40 0 FGABHN COc1ccc(CCNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000039749261 263399259 /nfs/dbraw/zinc/39/92/59/263399259.db2.gz QARKAVMDGZCEAW-UHFFFAOYSA-N 0 3 370.468 3.405 40 0 FGABHN Oc1ccc(CCNCc2cc3c(cc2Br)OCO3)cc1 ZINC000031719558 493957558 /nfs/dbraw/zinc/95/75/58/493957558.db2.gz QZNVRCIXEYLABT-UHFFFAOYSA-N 0 3 350.212 3.216 40 0 in-vitro FGABHN CCC[C@H]1[C@@H]2C(=O)N(c3ccccc3OC)C(=O)C2ON1c1ccccc1 ZINC000006576909 493969221 /nfs/dbraw/zinc/96/92/21/493969221.db2.gz HUDWMABWHZFEIK-WDSOQIARSA-N 0 3 366.417 3.174 40 0 FGABHN O=C(CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1)NC1CCCC1 ZINC000035291789 494073905 /nfs/dbraw/zinc/07/39/05/494073905.db2.gz JZIDAXLBLUQVGW-UHFFFAOYSA-N 0 3 360.889 3.455 40 0 FGABHN O=C1NC[C@@]2(CCCN(CCCOc3ccccc3)C2)Oc2ccccc21 ZINC000012087284 494202344 /nfs/dbraw/zinc/20/23/44/494202344.db2.gz ILYSKFULPLYKFE-JOCHJYFZSA-N 0 3 366.461 3.113 40 0 FGABHN C[C@@H]1C[C@@H](C)CN(CCCNS(=O)(=O)Cc2ccccc2Cl)C1 ZINC000013674994 494292409 /nfs/dbraw/zinc/29/24/09/494292409.db2.gz UDZUYLAPGIFGQW-HUUCEWRRSA-N 0 3 358.935 3.127 40 0 FGABHN FC(F)(F)c1ccc2c(c1)ncc(Br)c2N1CCNCC1 ZINC000044628731 494370302 /nfs/dbraw/zinc/37/03/02/494370302.db2.gz YTXYEWOQYJBJDF-UHFFFAOYSA-N 0 3 360.177 3.426 40 0 FGABHN c1cncc(COC[C@]23CCCO[C@@H]2CCN(Cc2cccnc2)C3)c1 ZINC000096040100 494997387 /nfs/dbraw/zinc/99/73/87/494997387.db2.gz OXJBSEONSREVAP-NHCUHLMSSA-N 0 3 353.466 3.065 40 0 FGABHN Cc1cc(C(=O)N2CC3(C2)CC[C@H](CN(C)Cc2ccco2)CO3)c(C)o1 ZINC000248085956 496954265 /nfs/dbraw/zinc/95/42/65/496954265.db2.gz DNHWSJSMPKFMTL-QGZVFWFLSA-N 0 3 372.465 3.243 40 0 FGABHN Cc1ccsc1C(=O)N1CC2(C1)CC[C@@H](CN(C)Cc1ccco1)CO2 ZINC000248116095 496955218 /nfs/dbraw/zinc/95/52/18/496955218.db2.gz LPQFOEAHEMUHAX-INIZCTEOSA-N 0 3 374.506 3.403 40 0 FGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 ZINC000223262609 497034631 /nfs/dbraw/zinc/03/46/31/497034631.db2.gz XJTSCTYIYWHIQW-QZTJIDSGSA-N 0 3 371.554 3.172 40 0 FGABHN CN(CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N(C)C2)Cc1ccccc1F ZINC000257320135 497401750 /nfs/dbraw/zinc/40/17/50/497401750.db2.gz VVMYQSXPRXJGCJ-ZJDLJICXSA-N 0 3 373.516 3.121 40 0 FGABHN CCOC(=O)C1CCN(C(=O)C2CCN(Cc3cccc(C)c3)CC2)CC1 ZINC000408710396 499594271 /nfs/dbraw/zinc/59/42/71/499594271.db2.gz GDYYOJNADRQALF-UHFFFAOYSA-N 0 3 372.509 3.009 40 0 FGABHN c1cc2n(c1)C[C@H](CCNc1ccccn1)CN(CC1CCOCC1)C2 ZINC000585095308 507566694 /nfs/dbraw/zinc/56/66/94/507566694.db2.gz ORHPRBKXWFQEQX-LJQANCHMSA-N 0 3 354.498 3.244 40 0 FGABHN CC(=O)N1C[C@H](COCC2CC2)C2(C1)CCN(Cc1ccsc1)CC2 ZINC000585103186 507568999 /nfs/dbraw/zinc/56/89/99/507568999.db2.gz LZLJUOQZDJFBFO-LJQANCHMSA-N 0 3 362.539 3.235 40 0 FGABHN CCOCCOc1ccc(CN(C)C[C@@H](O)COC2CCCCC2)cc1 ZINC000585270275 507582450 /nfs/dbraw/zinc/58/24/50/507582450.db2.gz SHLQWUKFHUSELT-LJQANCHMSA-N 0 3 365.514 3.244 40 0 FGABHN Cc1ccc2cc(CNC[C@@H](O)COc3c(C)cccc3C)c(=O)[nH]c2c1 ZINC000585284518 507584609 /nfs/dbraw/zinc/58/46/09/507584609.db2.gz LQEJMDGTPGEBLD-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 ZINC000585282994 507584859 /nfs/dbraw/zinc/58/48/59/507584859.db2.gz AKUJQTUZWLBXEE-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN Cc1cccc(C(=O)N2CCN(C)C[C@@H](Cc3cccc4cccnc43)C2)n1 ZINC000257224080 534593940 /nfs/dbraw/zinc/59/39/40/534593940.db2.gz FAFHNQXLXXIHPI-GOSISDBHSA-N 0 3 374.488 3.185 40 0 FGABHN COc1cc(OC)c(OC)cc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000019789268 522822259 /nfs/dbraw/zinc/82/22/59/522822259.db2.gz LGLXDKDKXSRHFV-SQNIBIBYSA-N 0 3 372.509 3.042 40 0 FGABHN CC1(C(=O)N2CCNC[C@H](Cc3ccnc4cccnc34)C2)CCCCC1 ZINC000257260769 528849592 /nfs/dbraw/zinc/84/95/92/528849592.db2.gz LEGPGLWXPQQWQO-KRWDZBQOSA-N 0 3 366.509 3.191 40 0 FGABHN CN(Cc1cnc[nH]1)[C@@H]1CC[C@@]2(C)C[C@H](c3ccccc3)C[C@](C)(O2)[C@H]1O ZINC000257325985 529974794 /nfs/dbraw/zinc/97/47/94/529974794.db2.gz WVHJZTZASQRXRC-KVEDYDLGSA-N 0 3 369.509 3.476 40 0 FGABHN CCOC[C@@H]1CCN(CC2CC2)C2(CN(C(=O)c3ccccc3F)C2)C1 ZINC000306137414 210056322 /nfs/dbraw/zinc/05/63/22/210056322.db2.gz QVQRLNCNNOWOSI-QGZVFWFLSA-N 0 3 360.473 3.179 40 0 FGABHN O=c1c2ccccc2nc(SCCN2CCCCC2)n1C[C@H]1CCCO1 ZINC000000933526 219341946 /nfs/dbraw/zinc/34/19/46/219341946.db2.gz WHHAMHIESPDCNL-MRXNPFEDSA-N 0 3 373.522 3.154 40 0 FGABHN CN(C)C(=O)c1cnc(C2(C)CCN(CCc3ccccc3)CC2)s1 ZINC000257315486 223063227 /nfs/dbraw/zinc/06/32/27/223063227.db2.gz VBPGXTIIWHGIPQ-UHFFFAOYSA-N 0 3 357.523 3.441 40 0 FGABHN COc1ccc(-c2cc(C(=O)N3CCC[C@@H](N4CCCC4)C3)on2)cc1 ZINC000019718920 211250395 /nfs/dbraw/zinc/25/03/95/211250395.db2.gz YZBARBCLJUDFGC-MRXNPFEDSA-N 0 3 355.438 3.051 40 0 FGABHN CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCn1cccn1 ZINC000019590184 211237735 /nfs/dbraw/zinc/23/77/35/211237735.db2.gz OUIBYPQAYXBZLZ-KCZVDYSFSA-N 0 3 366.509 3.142 40 0 FGABHN COc1ccccc1CN(Cc1cccnc1N(C)C)C1CCN(C)CC1 ZINC000019714044 211247476 /nfs/dbraw/zinc/24/74/76/211247476.db2.gz BOVRTGKHRSZOKE-UHFFFAOYSA-N 0 3 368.525 3.253 40 0 FGABHN COc1cc2[nH]c(C(=O)N[C@H](C)CN3CCCCCC3)cc2c(OC)c1 ZINC000019456149 211223211 /nfs/dbraw/zinc/22/32/11/211223211.db2.gz BHAZPSGCCAVKKW-CQSZACIVSA-N 0 3 359.470 3.179 40 0 FGABHN CCOC(=O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCN(CC)CC1 ZINC000019527039 211228107 /nfs/dbraw/zinc/22/81/07/211228107.db2.gz IGWWRNVBKRBFRR-KRWDZBQOSA-N 0 3 362.445 3.374 40 0 FGABHN COc1ccc(CN2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000019236368 211210575 /nfs/dbraw/zinc/21/05/75/211210575.db2.gz JVQUXSHLPJUGID-SIKLNZKXSA-N 0 3 365.477 3.037 40 0 FGABHN CCC(C)(C)n1nnnc1[C@@H](CC(C)C)N1CCN(C2CCCC2)CC1 ZINC000019499521 220263978 /nfs/dbraw/zinc/26/39/78/220263978.db2.gz YQEHKTOZHCRAFF-GOSISDBHSA-N 0 3 362.566 3.466 40 0 FGABHN CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1cc(C)ccc1C ZINC000001710830 210367864 /nfs/dbraw/zinc/36/78/64/210367864.db2.gz ZHWURNQSWYLVPL-QFIPXVFZSA-N 0 3 355.478 3.424 40 0 FGABHN COc1cccc(OCCc2cc([C@@H]3CN(CC(C)C)CCO3)n[nH]2)c1 ZINC000257251747 533666656 /nfs/dbraw/zinc/66/66/56/533666656.db2.gz JSBNEPRZNLSNGD-FQEVSTJZSA-N 0 3 359.470 3.069 40 0 FGABHN COc1ccc(CN2CCC3(C[C@@H](Oc4ccccn4)CO3)CC2)cc1 ZINC000096106959 222027119 /nfs/dbraw/zinc/02/71/19/222027119.db2.gz JELODSFHVMAUNJ-LJQANCHMSA-N 0 3 354.450 3.293 40 0 FGABHN Cc1ccc(CN2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)s1 ZINC000096050773 222000432 /nfs/dbraw/zinc/00/04/32/222000432.db2.gz QGZWTMGSLBXNNN-FQEVSTJZSA-N 0 3 370.474 3.414 40 0 FGABHN COc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cc1 ZINC000096061418 222009017 /nfs/dbraw/zinc/00/90/17/222009017.db2.gz FBDABUSOFSRPAA-FQEVSTJZSA-N 0 3 350.462 3.334 40 0 FGABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1ccsc1)CC2 ZINC000096240382 222096139 /nfs/dbraw/zinc/09/61/39/222096139.db2.gz FTUUSGFZJVHJSL-QGZVFWFLSA-N 0 3 358.511 3.046 40 0 FGABHN CCC1=N[C@@]2(CC[C@@H]3CN(Cc4c(C)noc4C)C[C@@H]32)C(=O)N1CC(C)C ZINC000096261679 222104675 /nfs/dbraw/zinc/10/46/75/222104675.db2.gz KQEZWFRMYXEOOW-PLMTUMEDSA-N 0 3 372.513 3.179 40 0 FGABHN c1csc(CN2CCC[C@@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)n1 ZINC000096215728 222081964 /nfs/dbraw/zinc/08/19/64/222081964.db2.gz GRAWCLSPSHWNJL-HXUWFJFHSA-N 0 3 371.506 3.360 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102724765 222305365 /nfs/dbraw/zinc/30/53/65/222305365.db2.gz YKFWAKMOOYQKRM-ZCNNSNEGSA-N 0 3 371.396 3.133 40 0 FGABHN CCc1ccccc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000008215684 263353153 /nfs/dbraw/zinc/35/31/53/263353153.db2.gz SSCDIJLWHFYWPE-LJQANCHMSA-N 0 3 361.445 3.195 40 0 FGABHN CCN(CC)CCOC(=O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000006382237 493961227 /nfs/dbraw/zinc/96/12/27/493961227.db2.gz HSSAWUQXYHLJOI-IBGZPJMESA-N 0 3 354.450 3.294 40 0 FGABHN OCc1ccc(-c2cncc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 ZINC000072359431 494157230 /nfs/dbraw/zinc/15/72/30/494157230.db2.gz XOOPQBDIPBNAQR-IBGZPJMESA-N 0 3 360.461 3.411 40 0 FGABHN CCC(CC)C(=O)N1CCC(c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)CC1 ZINC000072398714 494163788 /nfs/dbraw/zinc/16/37/88/494163788.db2.gz AGDRUZRUYYDLLS-UHFFFAOYSA-N 0 3 374.529 3.091 40 0 FGABHN Cc1ccc([C@@H](O)CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1C ZINC000012292208 494218857 /nfs/dbraw/zinc/21/88/57/494218857.db2.gz PVOMWUYNPGMSTH-IBGZPJMESA-N 0 3 369.461 3.049 40 0 FGABHN COc1ccc([C@H](O)CN2CCC(O)(c3ccccc3C)CC2)cc1OC ZINC000012292408 494218987 /nfs/dbraw/zinc/21/89/87/494218987.db2.gz PLJNUSNFLPWVPW-LJQANCHMSA-N 0 3 371.477 3.029 40 0 FGABHN CCn1cc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000012325247 494224596 /nfs/dbraw/zinc/22/45/96/494224596.db2.gz VUTKKGDZKVMGFB-ZLGUVYLKSA-N 0 3 357.473 3.470 40 0 FGABHN COc1ccccc1CN1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 ZINC000012337359 494225530 /nfs/dbraw/zinc/22/55/30/494225530.db2.gz BAJDFZSOSZIIBK-UHFFFAOYSA-N 0 3 365.437 3.223 40 0 FGABHN CCOC(=O)C1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccncc1)CCCC3 ZINC000045506751 494434782 /nfs/dbraw/zinc/43/47/82/494434782.db2.gz JYCNMGJHVNKCCF-QGZVFWFLSA-N 0 3 364.449 3.332 40 0 FGABHN Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[n-]1 ZINC000019285273 494439097 /nfs/dbraw/zinc/43/90/97/494439097.db2.gz HIPMLQZNNPVJGQ-QGZVFWFLSA-N 0 3 352.482 3.058 40 0 FGABHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[n-]1 ZINC000019285273 494439098 /nfs/dbraw/zinc/43/90/98/494439098.db2.gz HIPMLQZNNPVJGQ-QGZVFWFLSA-N 0 3 352.482 3.058 40 0 FGABHN COc1cccc([C@@H]2CN(Cc3ccccn3)[C@@H]3CCCCC(=O)N[C@@H]23)c1 ZINC000019712846 494456384 /nfs/dbraw/zinc/45/63/84/494456384.db2.gz VNBZQKPCVWOCBD-VWPQPMDRSA-N 0 3 365.477 3.117 40 0 FGABHN COc1ccccc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108528666 494731015 /nfs/dbraw/zinc/73/10/15/494731015.db2.gz JONXQLPFKZBIRK-GOSISDBHSA-N 0 3 368.481 3.111 40 0 FGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(O)cc3)n2)cc1OCC ZINC000095534530 494989761 /nfs/dbraw/zinc/98/97/61/494989761.db2.gz CCYRGKVBZGMAKP-KRWDZBQOSA-N 0 3 354.410 3.023 40 0 FGABHN CN(Cc1ccncc1)[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048075 494998384 /nfs/dbraw/zinc/99/83/84/494998384.db2.gz ZSEFMFNQHRMMOY-IBGZPJMESA-N 0 3 357.523 3.399 40 0 FGABHN COc1cccc(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)c1 ZINC000264177537 496829439 /nfs/dbraw/zinc/82/94/39/496829439.db2.gz LDMVNYOQQVRSGL-UHFFFAOYSA-N 0 3 350.462 3.358 40 0 FGABHN COc1cc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)ccc1O ZINC000247913416 496926986 /nfs/dbraw/zinc/92/69/86/496926986.db2.gz VIWZXVCCPCEWEL-UQASEVPWSA-N 0 3 357.425 3.270 40 0 FGABHN O[C@@]1(c2ccccc2)CCN(Cc2ccccc2OC[C@H]2CCCO2)C1 ZINC000247955721 496932861 /nfs/dbraw/zinc/93/28/61/496932861.db2.gz NENIBONWCBTBBS-IRLDBZIGSA-N 0 3 353.462 3.338 40 0 FGABHN CN(Cc1ccco1)[C@@H]1CCC[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]21 ZINC000248125009 496957701 /nfs/dbraw/zinc/95/77/01/496957701.db2.gz OJGLYWYCPRXLMP-NSISKUIASA-N 0 3 374.506 3.201 40 0 FGABHN C[C@@H](c1ccccc1)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 ZINC000585104439 507570152 /nfs/dbraw/zinc/57/01/52/507570152.db2.gz NFMDMGGFVSHBOI-WMZHIEFXSA-N 0 3 364.489 3.499 40 0 FGABHN CC1(C)CCC(N2CCOC[C@](O)(COc3ccc(F)c(F)c3)C2)CC1 ZINC000585281208 507583802 /nfs/dbraw/zinc/58/38/02/507583802.db2.gz GQKAAMAREYPPIK-FQEVSTJZSA-N 0 3 369.452 3.376 40 0 FGABHN CCOc1ccc(CN2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)cc1 ZINC000585293554 507586466 /nfs/dbraw/zinc/58/64/66/507586466.db2.gz ZHZANGHTUTYPNA-VAMGGRTRSA-N 0 3 361.869 3.060 40 0 FGABHN CCOc1cc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)ccc1OC ZINC000019789397 520698986 /nfs/dbraw/zinc/69/89/86/520698986.db2.gz STRVWEOMXYDPHU-HOJAQTOUSA-N 0 3 356.510 3.424 40 0 FGABHN c1cncc(CN2CC[C@@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)c1 ZINC000306144077 210057236 /nfs/dbraw/zinc/05/72/36/210057236.db2.gz YVOUIPPHRBSXTM-LJQANCHMSA-N 0 3 356.433 3.176 40 0 FGABHN Cc1occc1C(=O)N1CC2(C1)C[C@H](COCC1CC1)CCN2CC1CC1 ZINC000306137846 210055701 /nfs/dbraw/zinc/05/57/01/210055701.db2.gz RHWVSJHJCCNOOG-LJQANCHMSA-N 0 3 372.509 3.331 40 0 FGABHN O=C(NCCCN1CCc2ccccc2C1)c1ccc(Cn2ccnc2)cc1 ZINC000060626476 212023533 /nfs/dbraw/zinc/02/35/33/212023533.db2.gz ZMIKWBYZZDIJRP-UHFFFAOYSA-N 0 3 374.488 3.110 40 0 FGABHN Cc1noc2nc(-c3cccs3)cc(C(=O)NC3CCN(C)CC3)c12 ZINC000021441819 211313337 /nfs/dbraw/zinc/31/33/37/211313337.db2.gz XPJSKFWIOAWCIT-UHFFFAOYSA-N 0 3 356.451 3.084 40 0 FGABHN CNc1cc([C@H]2CCCN(CC3=CCCOC3)C2)nc(-c2cccnc2)n1 ZINC000019592200 211239674 /nfs/dbraw/zinc/23/96/74/211239674.db2.gz YAULDPLOTNKGKX-SFHVURJKSA-N 0 3 365.481 3.106 40 0 FGABHN COc1ccc2c(c1)OCC(CN1CC[C@@](O)(c3ccc(C)cc3)C1)=C2 ZINC000019715758 211248904 /nfs/dbraw/zinc/24/89/04/211248904.db2.gz MLFAGNFDGIPYEK-QFIPXVFZSA-N 0 3 351.446 3.373 40 0 FGABHN CC(C)c1nc2c(nnn2C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(=O)[n-]1 ZINC000019453799 211224172 /nfs/dbraw/zinc/22/41/72/211224172.db2.gz WFNNNFOLTKWTQY-ZDUSSCGKSA-N 0 3 372.498 3.024 40 0 FGABHN CC(C)c1nc2c(nnn2C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(=O)[n-]1 ZINC000019453799 211224176 /nfs/dbraw/zinc/22/41/76/211224176.db2.gz WFNNNFOLTKWTQY-ZDUSSCGKSA-N 0 3 372.498 3.024 40 0 FGABHN COc1ccc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)c(C)c1C ZINC000019577359 211235294 /nfs/dbraw/zinc/23/52/94/211235294.db2.gz FEGDWTLJORPNSZ-SFHVURJKSA-N 0 3 367.493 3.195 40 0 FGABHN CCN1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)C1CC1 ZINC000019527067 211227950 /nfs/dbraw/zinc/22/79/50/211227950.db2.gz UWLFGHOQMCJUMH-UHFFFAOYSA-N 0 3 367.493 3.282 40 0 FGABHN O=c1cc(-c2ccccn2)nc([C@@H]2CCCN(Cc3cccc(F)c3)C2)[nH]1 ZINC000019402439 211220716 /nfs/dbraw/zinc/22/07/16/211220716.db2.gz WSCVFVLNQQNLMK-MRXNPFEDSA-N 0 3 364.424 3.351 40 0 FGABHN CNc1ncccc1CN1CCC(CCc2ccnc(NC(C)=O)c2)CC1 ZINC000257236969 533088816 /nfs/dbraw/zinc/08/88/16/533088816.db2.gz HEQDAGLTVFBLDM-UHFFFAOYSA-N 0 3 367.497 3.322 40 0 FGABHN Cc1nc(COC[C@@]23CCO[C@@H]2CCN(Cc2ccncc2)C3)cs1 ZINC000096110403 222027995 /nfs/dbraw/zinc/02/79/95/222027995.db2.gz IDXOAPKPDPFCCJ-MOPGFXCFSA-N 0 3 359.495 3.044 40 0 FGABHN Cn1cc(CN2CCC3(CC2)CCN(C(=O)c2ccsc2)CC3)cn1 ZINC000096047270 221998761 /nfs/dbraw/zinc/99/87/61/221998761.db2.gz XTYSFMPZPAXLKP-UHFFFAOYSA-N 0 3 358.511 3.000 40 0 FGABHN Fc1ccc(CN2CCC[C@]3(C2)COCCN(c2cccnc2)C3)cc1 ZINC000096049554 222000713 /nfs/dbraw/zinc/00/07/13/222000713.db2.gz NQOGOMSMSKNGOZ-OAQYLSRUSA-N 0 3 355.457 3.340 40 0 FGABHN CN(C)C(=O)[C@H]1OC2(CCN(Cc3ccsc3)CC2)c2ccccc21 ZINC000096058369 222008043 /nfs/dbraw/zinc/00/80/43/222008043.db2.gz RKNNJAQLWQRLNN-SFHVURJKSA-N 0 3 356.491 3.399 40 0 FGABHN Cc1nc(CO[C@@H]2COC3(C2)CCN(Cc2ccccn2)CC3)cs1 ZINC000096206277 222076716 /nfs/dbraw/zinc/07/67/16/222076716.db2.gz SWTWAFVZDCRHTB-SFHVURJKSA-N 0 3 359.495 3.187 40 0 FGABHN O=C(N[C@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1)c1ccccc1 ZINC000096208285 222078672 /nfs/dbraw/zinc/07/86/72/222078672.db2.gz GLSRILFUASFUSD-AZUAARDMSA-N 0 3 356.491 3.302 40 0 FGABHN O=C(N[C@H]1COC2(C1)CCN(Cc1cccs1)CC2)c1cccs1 ZINC000096221219 222085929 /nfs/dbraw/zinc/08/59/29/222085929.db2.gz AMEJWOHRNZDBEA-CQSZACIVSA-N 0 3 362.520 3.363 40 0 FGABHN O[C@@H]1C[C@@](CNCc2cccc(Cl)c2)(COc2ccccc2)C[C@@H]1O ZINC000107430311 222393360 /nfs/dbraw/zinc/39/33/60/222393360.db2.gz AYUIEWAXGREMNN-ACDBMABISA-N 0 3 361.869 3.011 40 0 biogenic,in-vitro FGABHN Cc1cc(C)n(-c2cccc(CN(CCN(C)C)Cc3cccnc3)c2)n1 ZINC000019574780 263374291 /nfs/dbraw/zinc/37/42/91/263374291.db2.gz ULZOGHAKNCMXSF-UHFFFAOYSA-N 0 3 363.509 3.448 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964118 494124728 /nfs/dbraw/zinc/12/47/28/494124728.db2.gz HOKWACBZZPVSQS-QGZVFWFLSA-N 0 3 364.380 3.254 40 0 FGABHN COCCN1CCC(c2nccnc2Oc2ccc(NC(C)=O)cc2)CC1 ZINC000072361789 494158382 /nfs/dbraw/zinc/15/83/82/494158382.db2.gz SHYSPLVWMCNFRF-UHFFFAOYSA-N 0 3 370.453 3.053 40 0 FGABHN Cc1nn2c(nc3c(c2NCCN(C)C)CCC3)c1-c1ccc(F)cc1 ZINC000012113385 494203829 /nfs/dbraw/zinc/20/38/29/494203829.db2.gz AWJZQUTWWFHYNY-UHFFFAOYSA-N 0 3 353.445 3.306 40 0 FGABHN Cc1cc(-c2cnc(N3CCN4CCC[C@@H]4C3)nc2-c2cccs2)on1 ZINC000012154320 494209375 /nfs/dbraw/zinc/20/93/75/494209375.db2.gz BOGRBGYMYWSEAW-CQSZACIVSA-N 0 3 367.478 3.453 40 0 FGABHN COc1ccc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)cc1OC ZINC000012407691 494230222 /nfs/dbraw/zinc/23/02/22/494230222.db2.gz BZCOURFDRGROFF-SFHVURJKSA-N 0 3 356.466 3.029 40 0 FGABHN COc1ccc(OC[C@@H](C)NCc2cnc(N3CCC[C@@H](C)C3)nc2)cc1 ZINC000019496655 494446287 /nfs/dbraw/zinc/44/62/87/494446287.db2.gz ARRIVEKUSOJVQK-IAGOWNOFSA-N 0 3 370.497 3.279 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@H]3CCOCc2ccncc2)nc1 ZINC000247910953 496926642 /nfs/dbraw/zinc/92/66/42/496926642.db2.gz YKSABPWCFZCXQJ-HXUWFJFHSA-N 0 3 367.493 3.455 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@H]3CCOc2ccccn2)nc1 ZINC000248083255 496952582 /nfs/dbraw/zinc/95/25/82/496952582.db2.gz JLUPMUFZYOIGSU-GOSISDBHSA-N 0 3 353.466 3.317 40 0 FGABHN CCOC[C@@]1(CN)[C@H](S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000242495415 497354842 /nfs/dbraw/zinc/35/48/42/497354842.db2.gz GENZUWQEDZYTAD-NJDAHSKKSA-N 0 3 373.518 3.225 40 0 FGABHN c1cc2n(c1)C[C@@H](CCNc1ccccn1)CN(CC1CCOCC1)C2 ZINC000585095307 507566505 /nfs/dbraw/zinc/56/65/05/507566505.db2.gz ORHPRBKXWFQEQX-IBGZPJMESA-N 0 3 354.498 3.244 40 0 FGABHN CN1CC[C@@H](COCc2ccncc2)CC12CN(Cc1cccs1)C2 ZINC000585102647 507567601 /nfs/dbraw/zinc/56/76/01/507567601.db2.gz DUAQZNLYEOXHLV-GOSISDBHSA-N 0 3 357.523 3.256 40 0 FGABHN CC(=O)N1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cccs1)CC2 ZINC000585102710 507568306 /nfs/dbraw/zinc/56/83/06/507568306.db2.gz BGHOJESIWFUWOK-SFHVURJKSA-N 0 3 362.539 3.235 40 0 FGABHN Cc1ccc(CN2CC3(C2)C[C@@H](COCc2ccncc2)CCN3C)o1 ZINC000585102825 507568392 /nfs/dbraw/zinc/56/83/92/507568392.db2.gz JBJXIFDQSZCBHM-IBGZPJMESA-N 0 3 355.482 3.096 40 0 FGABHN CN1CC[C@H](COCc2cccnc2)CC12CN(Cc1ccsc1)C2 ZINC000585103700 507570257 /nfs/dbraw/zinc/57/02/57/507570257.db2.gz YVKOLIAHMRUWDK-KRWDZBQOSA-N 0 3 357.523 3.256 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC(O)(COc3ccccc3F)CC2)cc1 ZINC000585270541 507582332 /nfs/dbraw/zinc/58/23/32/507582332.db2.gz MFMHYFPBHWIUSM-UHFFFAOYSA-N 0 3 372.440 3.190 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3cc(C)ccc3[nH]c2=O)cc1 ZINC000585283675 507583880 /nfs/dbraw/zinc/58/38/80/507583880.db2.gz GPVRTTAJIXEFNM-GOSISDBHSA-N 0 3 352.434 3.087 40 0 FGABHN Cc1cccc(OC[C@H](O)CNCc2cc3ccc(C)cc3[nH]c2=O)c1 ZINC000585283153 507583954 /nfs/dbraw/zinc/58/39/54/507583954.db2.gz CQWCWUWGRLGZCZ-GOSISDBHSA-N 0 3 352.434 3.087 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585286421 507587107 /nfs/dbraw/zinc/58/71/07/507587107.db2.gz ZJOQXUIKNNFOEF-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN CC(C)(C)OC(=O)N1CC(NCCc2cccc(Br)c2)C1 ZINC000090550249 518800159 /nfs/dbraw/zinc/80/01/59/518800159.db2.gz DDGAECCTDPXGRP-UHFFFAOYSA-N 0 3 355.276 3.201 40 0 FGABHN Cc1ncc(-c2cncc(CC3CCN(Cc4cccnc4)CC3)n2)n1C ZINC000257283699 534722387 /nfs/dbraw/zinc/72/23/87/534722387.db2.gz OZLBICBXRSLZKC-UHFFFAOYSA-N 0 3 362.481 3.035 40 0 FGABHN CCCCc1nc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)c[nH]1 ZINC000257287167 529039320 /nfs/dbraw/zinc/03/93/20/529039320.db2.gz POUDSDXZAKULEA-SFHVURJKSA-N 0 3 356.518 3.249 40 0 FGABHN CCCCc1ncc(CN2CCC[C@H]2c2nc(C)ncc2CN(C)C)[nH]1 ZINC000257287167 529039323 /nfs/dbraw/zinc/03/93/23/529039323.db2.gz POUDSDXZAKULEA-SFHVURJKSA-N 0 3 356.518 3.249 40 0 FGABHN CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(-c3ccccc3F)n[nH]1)C2 ZINC000257208469 529832273 /nfs/dbraw/zinc/83/22/73/529832273.db2.gz BMGVBFOGPAGPRN-KZCJGOGDSA-N 0 3 368.456 3.303 40 0 FGABHN Cc1cccc(CN2CC[C@H](c3nc4ccc(-c5cccnc5)cn4n3)C2)n1 ZINC000306144426 210057750 /nfs/dbraw/zinc/05/77/50/210057750.db2.gz ZEUJQNNKQPHTSU-IBGZPJMESA-N 0 3 370.460 3.484 40 0 FGABHN Cc1ncsc1CN1CCC[C@@H](c2cc(-c3ncc[nH]3)nc(C)n2)C1 ZINC000257234605 223030956 /nfs/dbraw/zinc/03/09/56/223030956.db2.gz GUIGLSKTJKIMTB-CQSZACIVSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1c[nH]c(-c2cc(C[C@H]3CCN(Cc4ccc(F)cc4)C3)ncn2)n1 ZINC000257272038 223044955 /nfs/dbraw/zinc/04/49/55/223044955.db2.gz NAVKAPRFOZXBNM-MRXNPFEDSA-N 0 3 351.429 3.379 40 0 FGABHN CN1CCc2nc(C3CCN(C(=O)CCC4CCCC4)CC3)ncc2C1 ZINC000019590666 211240302 /nfs/dbraw/zinc/24/03/02/211240302.db2.gz MWIFMTRJFPCWKE-UHFFFAOYSA-N 0 3 356.514 3.141 40 0 FGABHN COc1ccc(-c2cc(C(=O)NCC(C)(C)N3CCCCC3)[nH]n2)cc1 ZINC000019660063 211241796 /nfs/dbraw/zinc/24/17/96/211241796.db2.gz VBEBYCOZNQQZCG-UHFFFAOYSA-N 0 3 356.470 3.080 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000019576659 211236084 /nfs/dbraw/zinc/23/60/84/211236084.db2.gz CPBJHCMHADRJNG-CJNGLKHVSA-N 0 3 363.383 3.259 40 0 FGABHN Cc1nc2c(c(=O)[n-]1)CC[C@@H]1C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]21 ZINC000019576659 211236091 /nfs/dbraw/zinc/23/60/91/211236091.db2.gz CPBJHCMHADRJNG-CJNGLKHVSA-N 0 3 363.383 3.259 40 0 FGABHN CCc1c(C)nc([C@@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)[nH]c1=O ZINC000019521548 211225259 /nfs/dbraw/zinc/22/52/59/211225259.db2.gz OJOJJJDUMUQRPN-MRXNPFEDSA-N 0 3 371.481 3.038 40 0 FGABHN O=C1CC[C@@H](NCc2cccn2-c2cccnc2)[C@H](c2ccccc2F)N1 ZINC000019368240 211217606 /nfs/dbraw/zinc/21/76/06/211217606.db2.gz VLMIUZGHMVSGHZ-CTNGQTDRSA-N 0 3 364.424 3.121 40 0 FGABHN O=c1oc2ccc(Cl)cc2n1[C@H]1CCCN(CCN2CCCCC2)C1 ZINC000019346005 211216242 /nfs/dbraw/zinc/21/62/42/211216242.db2.gz UCDHMCNUSYMBOL-INIZCTEOSA-N 0 3 363.889 3.371 40 0 FGABHN COc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329876 210943601 /nfs/dbraw/zinc/94/36/01/210943601.db2.gz SJKPVXRWVPWKOM-VQTJNVASSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Cl)ccc3C2)n1 ZINC000329005904 132372225 /nfs/dbraw/zinc/37/22/25/132372225.db2.gz LAKSNVXRXIQUAP-QGZVFWFLSA-N 0 3 360.889 3.430 40 0 FGABHN Cc1ncsc1CN1CCC2(C[C@@H](OCc3ccccn3)CO2)CC1 ZINC000096106917 222026797 /nfs/dbraw/zinc/02/67/97/222026797.db2.gz SSJUWPDEXGHNOK-QGZVFWFLSA-N 0 3 359.495 3.187 40 0 FGABHN O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1ccc2c(c1)OCO2 ZINC000096050761 222000548 /nfs/dbraw/zinc/00/05/48/222000548.db2.gz QCOAGZUBGOURBJ-IBGZPJMESA-N 0 3 356.447 3.106 40 0 FGABHN Cc1noc(C)c1CN1CCC2(C[C@H](OCCO)c3ccccc32)CC1 ZINC000096079247 222015122 /nfs/dbraw/zinc/01/51/22/222015122.db2.gz KYYSBOQKOQFLQJ-FQEVSTJZSA-N 0 3 356.466 3.279 40 0 FGABHN CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1CC1CC1 ZINC000096261464 222104305 /nfs/dbraw/zinc/10/43/05/222104305.db2.gz XGGSPVZBNYWMKN-SLYNCCJLSA-N 0 3 355.457 3.077 40 0 FGABHN Clc1ccc(-c2cnc3n2C[C@H](CNCc2ccccn2)OC3)cc1 ZINC000096296367 222112270 /nfs/dbraw/zinc/11/22/70/222112270.db2.gz ZLGBZFIWRWTKCN-KRWDZBQOSA-N 0 3 354.841 3.287 40 0 biogenic,in-vitro FGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OC)C(=O)C2ON1c1ccccc1 ZINC000102713551 222304919 /nfs/dbraw/zinc/30/49/19/222304919.db2.gz HUDWMABWHZFEIK-QXAKKESOSA-N 0 3 366.417 3.174 40 0 FGABHN CC(C)OCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 ZINC000028220663 493780158 /nfs/dbraw/zinc/78/01/58/493780158.db2.gz HYJNJIPYSOCGRM-QGZVFWFLSA-N 0 3 352.906 3.483 40 0 FGABHN C[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)[C@@H]1CCCCN1C ZINC000005065141 493911478 /nfs/dbraw/zinc/91/14/78/493911478.db2.gz AYEXHPIWIMINEM-XLIONFOSSA-N 0 3 353.462 3.339 40 0 FGABHN COCCOc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 ZINC000035425429 494076613 /nfs/dbraw/zinc/07/66/13/494076613.db2.gz OXYHQGCXMAIKSN-HNNXBMFYSA-N 0 3 360.458 3.340 40 0 biogenic,in-vitro FGABHN CCn1cc(CN2C[C@H]3CCC[C@](O)(c4ccc(F)cc4)[C@@H]3C2)c(C)n1 ZINC000072340442 494153751 /nfs/dbraw/zinc/15/37/51/494153751.db2.gz VUTKKGDZKVMGFB-HBGVWJBISA-N 0 3 357.473 3.470 40 0 FGABHN CC(=O)N1Cc2ccccc2O[C@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000012087204 494202214 /nfs/dbraw/zinc/20/22/14/494202214.db2.gz SDSVRXAXJVBQCC-QFIPXVFZSA-N 0 3 350.462 3.462 40 0 FGABHN COc1ncccc1-c1nc(NCCN(C)C)ncc1-c1ccsc1 ZINC000012144386 494208297 /nfs/dbraw/zinc/20/82/97/494208297.db2.gz QUSQWDPJIPSGIW-UHFFFAOYSA-N 0 3 355.467 3.249 40 0 FGABHN COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@H]1CN1CCCCC1 ZINC000012219621 494215213 /nfs/dbraw/zinc/21/52/13/494215213.db2.gz SACLZXSPJIMRPQ-FQEVSTJZSA-N 0 3 372.509 3.307 40 0 FGABHN Cc1ccc(C2(C(=O)N3Cc4ccccc4OC[C@H]3CN(C)C)CC2)cc1 ZINC000012366136 494227911 /nfs/dbraw/zinc/22/79/11/494227911.db2.gz RSTMQBUPJUNJLI-HXUWFJFHSA-N 0 3 364.489 3.378 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000019705394 494455402 /nfs/dbraw/zinc/45/54/02/494455402.db2.gz SXSJKDXSSGBFIT-LJQANCHMSA-N 0 3 370.541 3.038 40 0 FGABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 ZINC000223262506 497034710 /nfs/dbraw/zinc/03/47/10/497034710.db2.gz XJTSCTYIYWHIQW-MSOLQXFVSA-N 0 3 371.554 3.172 40 0 FGABHN Cc1cccc(CN2CCC(C(=O)NCCOc3ccccc3)CC2)c1 ZINC000224528205 497049564 /nfs/dbraw/zinc/04/95/64/497049564.db2.gz KSIQRORLYDYADJ-UHFFFAOYSA-N 0 3 352.478 3.402 40 0 FGABHN O=C(NCCOCc1ccccc1)C1CCN(Cc2ccccc2)CC1 ZINC000224525620 497050094 /nfs/dbraw/zinc/05/00/94/497050094.db2.gz XIWHQOQZBCYWPC-UHFFFAOYSA-N 0 3 352.478 3.232 40 0 FGABHN COc1ccc(C(=O)N2CCC[C@H](N3CCc4ccccc4C3)C2)cc1 ZINC000408613179 499592996 /nfs/dbraw/zinc/59/29/96/499592996.db2.gz XUZMREQUMNVBEO-FQEVSTJZSA-N 0 3 350.462 3.358 40 0 FGABHN CCOc1cc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)ccc1OC ZINC000019789398 520700126 /nfs/dbraw/zinc/70/01/26/520700126.db2.gz STRVWEOMXYDPHU-YZGWKJHDSA-N 0 3 356.510 3.424 40 0 FGABHN CC(=O)Nc1nc2nc(C3CCN(Cc4ccccn4)CC3)ccc2s1 ZINC000257299378 527103343 /nfs/dbraw/zinc/10/33/43/527103343.db2.gz RPURIEPCBBXODP-UHFFFAOYSA-N 0 3 367.478 3.424 40 0 FGABHN CCNc1nc(C)c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)s1 ZINC000257314600 528440850 /nfs/dbraw/zinc/44/08/50/528440850.db2.gz UXRCXASIYPCDSF-KSSFIOAISA-N 0 3 350.532 3.362 40 0 FGABHN CC1(C)CN(C(=O)c2ccccc2F)C[C@@H]2CN(C3CCCCC3)CCN21 ZINC000253407977 210214713 /nfs/dbraw/zinc/21/47/13/210214713.db2.gz WYWCMRHIHZKSEH-SFHVURJKSA-N 0 3 373.516 3.379 40 0 biogenic,in-vitro FGABHN Cc1cccc(CN2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306123398 210049518 /nfs/dbraw/zinc/04/95/18/210049518.db2.gz AMAWWDVYRWPEMD-VXKWHMMOSA-N 0 3 372.472 3.273 40 0 FGABHN Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(Cc3scnc3C)C2)n1 ZINC000257225174 223028423 /nfs/dbraw/zinc/02/84/23/223028423.db2.gz FFDZLHPZWJBJCL-CQSZACIVSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1c[nH]c(-c2cnc(CC3CCN(Cc4scnc4C)CC3)cn2)n1 ZINC000257221210 223026490 /nfs/dbraw/zinc/02/64/90/223026490.db2.gz DNYVZTGYNQAFPU-UHFFFAOYSA-N 0 3 368.510 3.395 40 0 FGABHN C[C@]12CCN(Cc3ccncc3)[C@H]1CCC(=O)N2Cc1ccccc1F ZINC000257268340 223044324 /nfs/dbraw/zinc/04/43/24/223044324.db2.gz MLGLOIMQKFWHMP-FPOVZHCZSA-N 0 3 353.441 3.376 40 0 FGABHN Cc1cc(C)n([C@@H](C)C(=O)NCCNc2cc(C)nc3ccccc32)n1 ZINC000019660600 211243012 /nfs/dbraw/zinc/24/30/12/211243012.db2.gz RVDPCOYHQVIZKP-INIZCTEOSA-N 0 3 351.454 3.146 40 0 FGABHN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN3C[C@@H]3CCOC3)cc2N1 ZINC000019574849 211236182 /nfs/dbraw/zinc/23/61/82/211236182.db2.gz QSXDIHZYCFTLOZ-AYRXBEOTSA-N 0 3 358.408 3.364 40 0 FGABHN CNc1nc(C)c(C(=O)N2CCCC[C@@H]2CN2CCCCCC2)s1 ZINC000019560887 211233256 /nfs/dbraw/zinc/23/32/56/211233256.db2.gz ABQDTQVKBKPYFY-OAHLLOKOSA-N 0 3 350.532 3.364 40 0 FGABHN Cc1cnc(-c2nnc([C@H]3CCN(Cc4ccc5ccccc5n4)C3)o2)cn1 ZINC000019239182 211208804 /nfs/dbraw/zinc/20/88/04/211208804.db2.gz KBOPSMACBGIKGP-INIZCTEOSA-N 0 3 372.432 3.373 40 0 FGABHN COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000015360752 211129580 /nfs/dbraw/zinc/12/95/80/211129580.db2.gz HKOKFGMUHRABDM-UHFFFAOYSA-N 0 3 374.506 3.160 40 0 FGABHN CC[C@@H](C)Nc1cc(N2CCc3cc(C(=O)OC)ccc3C2)nc(C)n1 ZINC000328960976 132371749 /nfs/dbraw/zinc/37/17/49/132371749.db2.gz AZVPCWNHWDWIRF-CYBMUJFWSA-N 0 3 354.454 3.345 40 0 FGABHN Cc1ccc(CN2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)s1 ZINC000096086861 222017909 /nfs/dbraw/zinc/01/79/09/222017909.db2.gz QQHXOAIXYVAITP-UHFFFAOYSA-N 0 3 365.502 3.262 40 0 FGABHN O=C(C[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096206657 222076852 /nfs/dbraw/zinc/07/68/52/222076852.db2.gz DHVNIBZXWSQYEN-JENIJYKNSA-N 0 3 356.491 3.044 40 0 FGABHN Cc1ccc(CN2CC[C@@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226804 222392889 /nfs/dbraw/zinc/39/28/89/222392889.db2.gz VPRXMYIKZUOSJM-UYAOXDASSA-N 0 3 357.523 3.317 40 0 FGABHN O=C(NCCN1CCCCC1)C(O)(C1CCCCC1)C1CCCCC1 ZINC000005048136 493910494 /nfs/dbraw/zinc/91/04/94/493910494.db2.gz VRIITQUZMPYHDD-UHFFFAOYSA-N 0 3 350.547 3.480 40 0 FGABHN COCCNc1ncccc1-c1noc([C@@H]2CCCN2CC(C)(C)C)n1 ZINC000035424903 494076464 /nfs/dbraw/zinc/07/64/64/494076464.db2.gz DINDGXRBPOCIQG-HNNXBMFYSA-N 0 3 359.474 3.373 40 0 biogenic,in-vitro FGABHN Cc1cc(Oc2ccccc2)nc(C2CCN(C(=O)C(C)(C)N)CC2)n1 ZINC000072363076 494158572 /nfs/dbraw/zinc/15/85/72/494158572.db2.gz GAEQRJFCHBFMAW-UHFFFAOYSA-N 0 3 354.454 3.021 40 0 FGABHN CC(C)Oc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000012220279 494214895 /nfs/dbraw/zinc/21/48/95/494214895.db2.gz JXZOINWIAKWYLU-QIDMFYOTSA-N 0 3 369.509 3.327 40 0 FGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)cc1 ZINC000012329873 494225268 /nfs/dbraw/zinc/22/52/68/494225268.db2.gz SJKPVXRWVPWKOM-PMACEKPBSA-N 0 3 369.461 3.079 40 0 FGABHN CC[NH+](CC)CCC[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl ZINC000054362923 494225710 /nfs/dbraw/zinc/22/57/10/494225710.db2.gz QIFCTURNAXEIRT-UHFFFAOYSA-N 0 3 353.315 3.312 40 0 FGABHN CC(C)[C@H](N)C(=O)N(Cc1ccccc1I)C(C)C ZINC000079421035 494450814 /nfs/dbraw/zinc/45/08/14/494450814.db2.gz GCRAHFAZBIQRET-AWEZNQCLSA-N 0 3 374.266 3.012 40 0 FGABHN O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2Cc1cccnc1 ZINC000019712636 494456263 /nfs/dbraw/zinc/45/62/63/494456263.db2.gz CZDIYMRBMQARTI-ZVDOUQERSA-N 0 3 353.441 3.248 40 0 FGABHN C[C@H]1CCCN(c2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(=O)[n-]2)C1 ZINC000019717515 494457556 /nfs/dbraw/zinc/45/75/56/494457556.db2.gz YNAOFVRBXGGCHF-INIZCTEOSA-N 0 3 367.497 3.193 40 0 FGABHN Fc1ccccc1CN1CCC2(CC1)C[C@H](Nc1ncccn1)CCO2 ZINC000108534720 494731162 /nfs/dbraw/zinc/73/11/62/494731162.db2.gz DIUAOSWIKPXGAX-QGZVFWFLSA-N 0 3 356.445 3.241 40 0 FGABHN Cc1cccnc1CN1CCC[C@]2(CCN(CC3CCOCC3)C2=O)CC1 ZINC000108532462 494731836 /nfs/dbraw/zinc/73/18/36/494731836.db2.gz IBGXLTRSYHPCSZ-JOCHJYFZSA-N 0 3 371.525 3.021 40 0 FGABHN COc1ccc(CN2CC[C@@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100386 495001108 /nfs/dbraw/zinc/00/11/08/495001108.db2.gz VQJUEBUEHMVUOB-GOTSBHOMSA-N 0 3 364.489 3.460 40 0 FGABHN CN(Cc1ccco1)C[C@H]1CCC2(CN(C(=O)c3ccccc3F)C2)OC1 ZINC000248110119 496955094 /nfs/dbraw/zinc/95/50/94/496955094.db2.gz KAQUESWBTISWSB-MRXNPFEDSA-N 0 3 372.440 3.172 40 0 FGABHN c1cncc(CN2CCC3(CC2)OCC[C@@H]3CCOc2cccnc2)c1 ZINC000585104753 507569881 /nfs/dbraw/zinc/56/98/81/507569881.db2.gz MAJSJWSCRAUGMD-IBGZPJMESA-N 0 3 353.466 3.317 40 0 FGABHN C[C@@H](c1ccccc1)N1C[C@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585105033 507570347 /nfs/dbraw/zinc/57/03/47/507570347.db2.gz YWLPSBFEKCPUKP-WMZHIEFXSA-N 0 3 364.489 3.499 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC(O)(COc3ccc(F)cc3)CC2)cc1 ZINC000585272711 507582716 /nfs/dbraw/zinc/58/27/16/507582716.db2.gz PSMTZWJCNSXAIS-UHFFFAOYSA-N 0 3 372.440 3.190 40 0 FGABHN O=C(CC1CCCCC1)N1CCNC[C@H](Cc2ccnc3cccnc23)C1 ZINC000257210103 223019901 /nfs/dbraw/zinc/01/99/01/223019901.db2.gz BTENXQVQGWREBJ-SFHVURJKSA-N 0 3 366.509 3.191 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccccn2)n1 ZINC000328966944 223127369 /nfs/dbraw/zinc/12/73/69/223127369.db2.gz CPJOGKCPENKCNL-UHFFFAOYSA-N 0 3 368.872 3.331 40 0 FGABHN O[C@@H](CN1CCC(O)(c2ccccc2F)CC1)c1ccc2c(c1)CCC2 ZINC000012292558 219975268 /nfs/dbraw/zinc/97/52/68/219975268.db2.gz MKEUSTPRGRMTEO-NRFANRHFSA-N 0 3 355.453 3.331 40 0 FGABHN COc1c(C)cccc1CN1CC[C@@]2(C1)CCc1ccccc1C(=O)N2 ZINC000019235939 220243368 /nfs/dbraw/zinc/24/33/68/220243368.db2.gz LHZBUYCBYWUYNP-JOCHJYFZSA-N 0 3 350.462 3.324 40 0 FGABHN Cn1nc(C2CCN(Cc3ccc4ncccc4c3)CC2)c2nccnc21 ZINC000019289446 220246521 /nfs/dbraw/zinc/24/65/21/220246521.db2.gz WHWQAFZQWXSDCV-UHFFFAOYSA-N 0 3 358.449 3.291 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC(c2cc3c[nH]ccc-3n2)CC1 ZINC000019335697 220251741 /nfs/dbraw/zinc/25/17/41/220251741.db2.gz DGFIXRBDUAPZMJ-UHFFFAOYSA-N 0 3 353.397 3.487 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC(c2cc3cnccc3[nH]2)CC1 ZINC000019335697 220251744 /nfs/dbraw/zinc/25/17/44/220251744.db2.gz DGFIXRBDUAPZMJ-UHFFFAOYSA-N 0 3 353.397 3.487 40 0 FGABHN CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2CN2CCSCC2)C1 ZINC000019498700 220264573 /nfs/dbraw/zinc/26/45/73/220264573.db2.gz GRNMCNJFHFIBJI-HNNXBMFYSA-N 0 3 372.538 3.228 40 0 FGABHN CCOc1cc2c(cc1CN(CCN(C)C)Cc1ccccn1)O[C@@H](C)C2 ZINC000019532384 220269439 /nfs/dbraw/zinc/26/94/39/220269439.db2.gz WIKBVCGISUOZNN-KRWDZBQOSA-N 0 3 369.509 3.368 40 0 FGABHN COc1cc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc(OC)c1OC ZINC000019549842 220269686 /nfs/dbraw/zinc/26/96/86/220269686.db2.gz ACUYWIJYRNMARV-NZSAHSFTSA-N 0 3 372.509 3.042 40 0 FGABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)N4CCCC4)on3)C2)c1 ZINC000019565120 220273001 /nfs/dbraw/zinc/27/30/01/220273001.db2.gz KHWKIJGJWWXLNX-QGZVFWFLSA-N 0 3 369.465 3.299 40 0 FGABHN CC1(C)Cc2cc(CN3CC[C@H](C(=O)Nc4ccccn4)C3)ccc2O1 ZINC000019747788 220293322 /nfs/dbraw/zinc/29/33/22/220293322.db2.gz XSSCQCHYQMFWOW-INIZCTEOSA-N 0 3 351.450 3.256 40 0 FGABHN O=c1cc(C2CC[NH+](Cc3cccnc3)CC2)nc(N2CCCCCC2)[n-]1 ZINC000019717433 220290473 /nfs/dbraw/zinc/29/04/73/220290473.db2.gz GKKDEUNYDVXDES-UHFFFAOYSA-N 0 3 367.497 3.337 40 0 FGABHN COc1ccc2nc(CN(CCN(C)C)Cc3ccncc3)ccc2c1 ZINC000022913842 220403643 /nfs/dbraw/zinc/40/36/43/220403643.db2.gz OLIOEPMTVZFFTI-UHFFFAOYSA-N 0 3 350.466 3.202 40 0 FGABHN COc1cc(N2CCC[C@@]3(CCN(Cc4ccc(C)cc4)C3)C2)ncn1 ZINC000096216521 132222522 /nfs/dbraw/zinc/22/25/22/132222522.db2.gz HKQCIBMKVDFHQQ-NRFANRHFSA-N 0 3 352.482 3.286 40 0 FGABHN O=C1N(Cc2ccccn2)CCC12CCN(Cc1ccc(F)cc1)CC2 ZINC000096092864 222019605 /nfs/dbraw/zinc/01/96/05/222019605.db2.gz LZKQGFPJXMHDBB-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN FC1(F)CCN(Cc2ccncc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC000096239800 222094946 /nfs/dbraw/zinc/09/49/46/222094946.db2.gz UIVNGWMALJSRNJ-IBGZPJMESA-N 0 3 358.436 3.210 40 0 FGABHN O=C1N(c2ccccc2)CC12CCN(Cc1ccc3c(c1)OCO3)CC2 ZINC000096202916 222074482 /nfs/dbraw/zinc/07/44/82/222074482.db2.gz HELGNQWMAJYRIU-UHFFFAOYSA-N 0 3 350.418 3.044 40 0 FGABHN Fc1cccc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)c1 ZINC000096208477 222078660 /nfs/dbraw/zinc/07/86/60/222078660.db2.gz FYEWOASVRHCTCE-QUCCMNQESA-N 0 3 356.445 3.099 40 0 FGABHN O=C(C[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2O1)NCc1cccs1 ZINC000096216873 222081298 /nfs/dbraw/zinc/08/12/98/222081298.db2.gz DHVNIBZXWSQYEN-YQVWRLOYSA-N 0 3 356.491 3.044 40 0 FGABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)N4CCCC4)C3)C2)c1 ZINC000096215690 222082609 /nfs/dbraw/zinc/08/26/09/222082609.db2.gz SXZCZHWMJWKEMZ-NRFANRHFSA-N 0 3 357.498 3.199 40 0 FGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 ZINC000096228737 222089436 /nfs/dbraw/zinc/08/94/36/222089436.db2.gz VVHIYJKMENPWBG-NRFANRHFSA-N 0 3 355.482 3.131 40 0 FGABHN O=C(c1ccc2cc[nH]c2c1)N1CCC[C@]2(C1)COCCN(CC1CC1)C2 ZINC000096228790 222090015 /nfs/dbraw/zinc/09/00/15/222090015.db2.gz LGSLXNBGEBFELV-QFIPXVFZSA-N 0 3 367.493 3.133 40 0 FGABHN COCCN1c2ccccc2C2(CCN(Cc3cccs3)CC2)C1=O ZINC000105524867 222370005 /nfs/dbraw/zinc/37/00/05/222370005.db2.gz PJZHJPFQLYRPNK-UHFFFAOYSA-N 0 3 356.491 3.275 40 0 FGABHN CCc1ccc(N2C(=O)C[C@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000025224552 263388714 /nfs/dbraw/zinc/38/87/14/263388714.db2.gz DKFZJPIYEHWWEU-FQEVSTJZSA-N 0 3 361.445 3.195 40 0 FGABHN CC[C@H]1C[C@@H]2CN3CCc4c5cc(OC)ccc5[nH]c4[C@](C(=O)OC)(C2)[C@@H]13 ZINC000001609907 493796999 /nfs/dbraw/zinc/79/69/99/493796999.db2.gz MMAYTCMMKJYIAM-CDAWJECPSA-N 0 3 368.477 3.264 40 0 biogenic,in-vitro FGABHN CC(=O)Nc1ccc(NC(=O)C2CCN(Cc3ccccc3)CC2)cc1 ZINC000009062817 494112752 /nfs/dbraw/zinc/11/27/52/494112752.db2.gz CWHGKYIVUIWDPT-UHFFFAOYSA-N 0 3 351.450 3.496 40 0 FGABHN COC(=O)[C@@]1(Cc2ccccc2)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072341110 494154614 /nfs/dbraw/zinc/15/46/14/494154614.db2.gz LVJACXWVFKPSDY-ZRCGQRJVSA-N 0 3 363.457 3.395 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392896 494162296 /nfs/dbraw/zinc/16/22/96/494162296.db2.gz FTHYFVVABNRIAZ-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392896 494162301 /nfs/dbraw/zinc/16/23/01/494162301.db2.gz FTHYFVVABNRIAZ-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393085 494163032 /nfs/dbraw/zinc/16/30/32/494163032.db2.gz IOLBLEZOBLKVAP-INIZCTEOSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccsc3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393085 494163035 /nfs/dbraw/zinc/16/30/35/494163035.db2.gz IOLBLEZOBLKVAP-INIZCTEOSA-N 0 3 352.463 3.273 40 0 FGABHN CCc1[nH]nc(C(=O)NC2CCN(CC3(c4ccccc4)CC3)CC2)c1C ZINC000012087753 494202391 /nfs/dbraw/zinc/20/23/91/494202391.db2.gz UVCIVBZGZSZVNH-UHFFFAOYSA-N 0 3 366.509 3.207 40 0 FGABHN CN(C)Cc1ccc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cc1 ZINC000012148201 494209477 /nfs/dbraw/zinc/20/94/77/494209477.db2.gz BSSWAECRIMRGCQ-OAQYLSRUSA-N 0 3 365.521 3.184 40 0 FGABHN Cc1[nH]c2ccc(F)cc2c1CC(=O)N(CCN(C)C)Cc1cccnc1 ZINC000012222761 494215955 /nfs/dbraw/zinc/21/59/55/494215955.db2.gz RNIGDDWQCIROMD-UHFFFAOYSA-N 0 3 368.456 3.143 40 0 FGABHN O=C1CCCN1c1ccc(CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000012363588 494226592 /nfs/dbraw/zinc/22/65/92/494226592.db2.gz CDOVJQGJVSKLSW-UHFFFAOYSA-N 0 3 368.452 3.436 40 0 FGABHN COc1cc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)ccc1OC(C)C ZINC000019712539 494456117 /nfs/dbraw/zinc/45/61/17/494456117.db2.gz DOOKVBDFWPVMMN-RTBURBONSA-N 0 3 360.498 3.458 40 0 FGABHN CNc1cc(CN(C)Cc2ccnc3ccccc23)nc([C@@H]2CCCN2)n1 ZINC000019759880 494459865 /nfs/dbraw/zinc/45/98/65/494459865.db2.gz DVWIJVCZOFSBEU-IBGZPJMESA-N 0 3 362.481 3.123 40 0 FGABHN Cc1cccnc1CN1CCC2(CCCN(CC3CCOCC3)C2=O)CC1 ZINC000108529067 494731039 /nfs/dbraw/zinc/73/10/39/494731039.db2.gz AAMAFLYYNOYYTB-UHFFFAOYSA-N 0 3 371.525 3.021 40 0 FGABHN Fc1ccccc1CN1CCC2(CC1)C[C@@H](Nc1ncccn1)CCO2 ZINC000108534716 494732024 /nfs/dbraw/zinc/73/20/24/494732024.db2.gz DIUAOSWIKPXGAX-KRWDZBQOSA-N 0 3 356.445 3.241 40 0 FGABHN O=C(CN1CCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000026439197 494824892 /nfs/dbraw/zinc/82/48/92/494824892.db2.gz GAOKHFOVOWJXSU-UHFFFAOYSA-N 0 3 363.505 3.016 40 0 FGABHN COc1ccc(CN2CCC3(C[C@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047892 494998561 /nfs/dbraw/zinc/99/85/61/494998561.db2.gz HWCZMNNKJWEVIU-FQEVSTJZSA-N 0 3 354.450 3.293 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@H](CC(=O)N4CCCC4)CO3)CC2)s1 ZINC000096048174 494998728 /nfs/dbraw/zinc/99/87/28/494998728.db2.gz FDCVWQJXVNVUQX-KRWDZBQOSA-N 0 3 362.539 3.440 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(Cc2nccs2)CCO3)s1 ZINC000096048979 494999763 /nfs/dbraw/zinc/99/97/63/494999763.db2.gz CHDUDSLSRZPTHQ-UHFFFAOYSA-N 0 3 363.552 3.380 40 0 FGABHN CSc1nnc(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)s1 ZINC000225644997 497069682 /nfs/dbraw/zinc/06/96/82/497069682.db2.gz DTUYFEWUZSZOLF-UHFFFAOYSA-N 0 3 362.524 3.419 40 0 FGABHN O=C(N[C@@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21)c1ccncc1 ZINC000585109806 507574868 /nfs/dbraw/zinc/57/48/68/507574868.db2.gz VYULYCVUFJPHNF-FDFHNCONSA-N 0 3 370.456 3.177 40 0 FGABHN CC(=O)NCc1cccc([C@@H]2CCCN2CCOc2ccc(F)cc2)n1 ZINC000257302177 526813460 /nfs/dbraw/zinc/81/34/60/526813460.db2.gz SBUSYMIGSFYRLS-FQEVSTJZSA-N 0 3 357.429 3.073 40 0 FGABHN CCCn1nc(C)c(C(=O)N2CC[C@H](c3cc(NC)cc(C)n3)C2)c1C ZINC000257305073 528871735 /nfs/dbraw/zinc/87/17/35/528871735.db2.gz SOICYESNDNWJPP-INIZCTEOSA-N 0 3 355.486 3.285 40 0 FGABHN Cc1n[nH]cc1CNC[C@@H](c1ccc(Cl)cc1)N1CCOC(C)(C)C1 ZINC000103345937 571151281 /nfs/dbraw/zinc/15/12/81/571151281.db2.gz HDGTZOPTTLHZRO-SFHVURJKSA-N 0 3 362.905 3.313 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@H](Cc2cnc3ccccc3c2)C1 ZINC000257271836 529775363 /nfs/dbraw/zinc/77/53/63/529775363.db2.gz MZYYADBHVXNTRD-QGZVFWFLSA-N 0 3 352.507 3.298 40 0 FGABHN CN1CCN(C(=O)CC2CCCC2)C[C@H](Cc2ccnc3cccnc23)C1 ZINC000257273208 530066769 /nfs/dbraw/zinc/06/67/69/530066769.db2.gz NFRVJIGDNMBSDS-GOSISDBHSA-N 0 3 366.509 3.143 40 0 FGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccncc2)c1 ZINC000257276252 223046642 /nfs/dbraw/zinc/04/66/42/223046642.db2.gz NSZOVVOXGPPLFI-UHFFFAOYSA-N 0 3 360.461 3.178 40 0 FGABHN Cc1ncsc1CN1CCC(c2cc(-c3nccn3C)nc(C)n2)CC1 ZINC000257295471 223055219 /nfs/dbraw/zinc/05/52/19/223055219.db2.gz QYKVWUMDRRUMGA-UHFFFAOYSA-N 0 3 368.510 3.330 40 0 FGABHN Cn1cc2c(n1)[C@]1(CCN(Cc3ccccc3)C1)CN(Cc1ccoc1)C2 ZINC000306125332 223107025 /nfs/dbraw/zinc/10/70/25/223107025.db2.gz CMROMPQVBBXNJS-QFIPXVFZSA-N 0 3 362.477 3.173 40 0 FGABHN Cc1nc2c(n1CC1CC1)CN(Cc1ccoc1)CC21CCN(C)CC1 ZINC000306132294 223109812 /nfs/dbraw/zinc/10/98/12/223109812.db2.gz LEHQVNXTMXOIHH-UHFFFAOYSA-N 0 3 354.498 3.174 40 0 FGABHN COc1ccc2[nH]c(CN3CCC(N4C[C@@H](C)O[C@H](C)C4)CC3)cc2c1 ZINC000019497378 220263607 /nfs/dbraw/zinc/26/36/07/220263607.db2.gz QXJUVXWLNPJYJH-HZPDHXFCSA-N 0 3 357.498 3.250 40 0 FGABHN CNc1cc(C)nc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)c1 ZINC000257261381 533047282 /nfs/dbraw/zinc/04/72/82/533047282.db2.gz LHARPCMLTSUKDL-MRXNPFEDSA-N 0 3 353.413 3.157 40 0 FGABHN CCN(C(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1)C1CCN(C)CC1 ZINC000019655389 220280725 /nfs/dbraw/zinc/28/07/25/220280725.db2.gz TXUKNXIMLZLNND-CYBMUJFWSA-N 0 3 358.404 3.415 40 0 FGABHN Cc1nc2ccccc2n1Cc1cc(NC[C@@H]2CCCN(C)C2)nc(C)n1 ZINC000019655895 220281419 /nfs/dbraw/zinc/28/14/19/220281419.db2.gz DHLRTRNMQMIEKP-KRWDZBQOSA-N 0 3 364.497 3.245 40 0 FGABHN COc1ccc(-c2cc(C(=O)N3CCC[C@H](N4CCCC4)C3)on2)cc1 ZINC000019718921 220290125 /nfs/dbraw/zinc/29/01/25/220290125.db2.gz YZBARBCLJUDFGC-INIZCTEOSA-N 0 3 355.438 3.051 40 0 FGABHN COc1ccc(CN2CCC3(C[C@@H](OCc4cccnc4)CO3)CC2)cc1 ZINC000096047881 222000015 /nfs/dbraw/zinc/00/00/15/222000015.db2.gz QMUOHCKNMUDBNX-OAQYLSRUSA-N 0 3 368.477 3.431 40 0 FGABHN COC[C@H]1CC2(CN1Cc1ccccn1)CCN(Cc1nccs1)CC2 ZINC000096051793 222002887 /nfs/dbraw/zinc/00/28/87/222002887.db2.gz KQVKXZXULUHXTN-GOSISDBHSA-N 0 3 372.538 3.041 40 0 FGABHN COC[C@H]1CC2(CN1c1ncccn1)CCN(Cc1cccs1)CC2 ZINC000096051803 222003559 /nfs/dbraw/zinc/00/35/59/222003559.db2.gz PUSUNDDXMXQFRE-MRXNPFEDSA-N 0 3 358.511 3.046 40 0 FGABHN COc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)cc1 ZINC000096057541 222004777 /nfs/dbraw/zinc/00/47/77/222004777.db2.gz NWEKPMOOXGDUAI-NJDAHSKKSA-N 0 3 372.509 3.076 40 0 FGABHN COc1ccc(CN2C[C@@H](N(C)Cc3ccco3)[C@H]3OCCC[C@H]3C2)cc1 ZINC000096057145 222005387 /nfs/dbraw/zinc/00/53/87/222005387.db2.gz JKEHKZHYOTUOGR-BWAGFHJFSA-N 0 3 370.493 3.400 40 0 FGABHN O=C(CC(F)(F)F)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 ZINC000096158386 222057595 /nfs/dbraw/zinc/05/75/95/222057595.db2.gz CJHAIGABUAACAC-UHFFFAOYSA-N 0 3 355.404 3.239 40 0 FGABHN O=C(c1cnccn1)N1CCCC2(CCN(Cc3ccsc3)CC2)C1 ZINC000096158529 222058063 /nfs/dbraw/zinc/05/80/63/222058063.db2.gz MKEKPXRRTCWEQZ-UHFFFAOYSA-N 0 3 356.495 3.057 40 0 FGABHN Fc1ccc(CN2CC[C@H]3OCC[C@@]3(CCNc3ncccn3)C2)cc1 ZINC000096208198 222078621 /nfs/dbraw/zinc/07/86/21/222078621.db2.gz JLLBDMYTVRKFHG-QUCCMNQESA-N 0 3 356.445 3.099 40 0 FGABHN COc1ccc(CCC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC000029837732 493860633 /nfs/dbraw/zinc/86/06/33/493860633.db2.gz SAQJHCUSDMUVCK-UHFFFAOYSA-N 0 3 352.478 3.192 40 0 FGABHN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853737 494118346 /nfs/dbraw/zinc/11/83/46/494118346.db2.gz HSZLPUHFGAWLSS-INIZCTEOSA-N 0 3 370.424 3.448 40 0 FGABHN Cc1nccn1-c1nccnc1[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072350503 494155775 /nfs/dbraw/zinc/15/57/75/494155775.db2.gz CAEBPYLBWQWKCJ-QGZVFWFLSA-N 0 3 351.429 3.489 40 0 FGABHN Cn1cc(CN2CCC[C@@H](c3nccnc3-c3ccc(F)cc3)C2)cn1 ZINC000072359052 494157572 /nfs/dbraw/zinc/15/75/72/494157572.db2.gz CHPOIXNMMGRVCX-QGZVFWFLSA-N 0 3 351.429 3.396 40 0 FGABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Cl ZINC000014671962 494323251 /nfs/dbraw/zinc/32/32/51/494323251.db2.gz WDTXDDHQSOQRCW-QGZVFWFLSA-N 0 3 367.836 3.286 40 0 FGABHN CC(C)[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1N(C(=O)OC(C)(C)C)C(C)C ZINC000079427468 494452386 /nfs/dbraw/zinc/45/23/86/494452386.db2.gz HPAOBEHLYZCSDI-OAGGEKHMSA-N 0 3 355.523 3.043 40 0 FGABHN Cn1c2ccc(Cl)cc2nc1CCC(=O)N1CC[C@@H]2[C@H]1CCCCN2C ZINC000019712455 494456418 /nfs/dbraw/zinc/45/64/18/494456418.db2.gz CCXSSNRFAAKVHA-QZTJIDSGSA-N 0 3 374.916 3.245 40 0 FGABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccsc1)CC2 ZINC000096048049 494998346 /nfs/dbraw/zinc/99/83/46/494998346.db2.gz OKBOQWBGXBHNDZ-IBGZPJMESA-N 0 3 357.523 3.399 40 0 FGABHN COc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C(C)=O)[C@H]3C2)cc1 ZINC000096100385 495001160 /nfs/dbraw/zinc/00/11/60/495001160.db2.gz VQJUEBUEHMVUOB-XZOQPEGZSA-N 0 3 364.489 3.460 40 0 FGABHN COC[C@@H]1CN(C(=O)c2ccco2)CC12CCN(Cc1ccsc1)CC2 ZINC000247817671 496919383 /nfs/dbraw/zinc/91/93/83/496919383.db2.gz CBBXAILFQKMCBY-KRWDZBQOSA-N 0 3 374.506 3.342 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ccc(C)cn3)[C@H]2C1 ZINC000247914317 496927086 /nfs/dbraw/zinc/92/70/86/496927086.db2.gz LPAQBXVYIBNNSL-LQBOVUBWSA-N 0 3 352.478 3.437 40 0 FGABHN CCOC[C@@]1(CN)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 ZINC000218461060 497001877 /nfs/dbraw/zinc/00/18/77/497001877.db2.gz GENZUWQEDZYTAD-HKBOAZHASA-N 0 3 373.518 3.225 40 0 FGABHN O=C(NCCOc1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224553700 497049782 /nfs/dbraw/zinc/04/97/82/497049782.db2.gz FTFIVCGYCWNXRW-UHFFFAOYSA-N 0 3 374.431 3.372 40 0 FGABHN Cc1ccc(CS(=O)(=O)NCc2ccccc2CN2CCCC2)cc1 ZINC000224779579 497053143 /nfs/dbraw/zinc/05/31/43/497053143.db2.gz OVBIJKUDPCOAMN-UHFFFAOYSA-N 0 3 358.507 3.210 40 0 FGABHN CN1CCC(NC(=S)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000225799970 497075955 /nfs/dbraw/zinc/07/59/55/497075955.db2.gz JURWXILTRCXAJA-UHFFFAOYSA-N 0 3 362.724 3.483 40 0 FGABHN CCn1cc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)cn1 ZINC000249681485 497230958 /nfs/dbraw/zinc/23/09/58/497230958.db2.gz BIMHTULBYRSACT-IBGZPJMESA-N 0 3 370.497 3.138 40 0 FGABHN c1ccc(CN2CC[C@@H](c3nnn4cc(-c5ccncc5)ccc34)C2)nc1 ZINC000306122966 498737115 /nfs/dbraw/zinc/73/71/15/498737115.db2.gz AAYCDEJNOPXLHI-GOSISDBHSA-N 0 3 356.433 3.176 40 0 FGABHN CC(=O)N[C@H]1[C@H](c2ccccc2)N(CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382638 506808959 /nfs/dbraw/zinc/80/89/59/506808959.db2.gz WLBDPBPKMGZHHX-RJGXRXQPSA-N 0 3 366.505 3.322 40 0 biogenic,in-vitro FGABHN C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103070 507568554 /nfs/dbraw/zinc/56/85/54/507568554.db2.gz CDAIHZRRAVLUQB-FXAWDEMLSA-N 0 3 372.509 3.135 40 0 FGABHN C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(C(=O)c2ccc([O-])cc2)CC3)C1 ZINC000585103070 507568559 /nfs/dbraw/zinc/56/85/59/507568559.db2.gz CDAIHZRRAVLUQB-FXAWDEMLSA-N 0 3 372.509 3.135 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100338 507568903 /nfs/dbraw/zinc/56/89/03/507568903.db2.gz KNOSBLGIUSKMKL-FPOVZHCZSA-N 0 3 358.482 3.032 40 0 FGABHN O=C(c1ccc([O-])cc1)N1CCC[C@]2(CCC[N@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100338 507568908 /nfs/dbraw/zinc/56/89/08/507568908.db2.gz KNOSBLGIUSKMKL-FPOVZHCZSA-N 0 3 358.482 3.032 40 0 FGABHN CC1(C)CCC(N2CCOC[C@](O)(COc3cc(F)cc(F)c3)C2)CC1 ZINC000585281741 507585014 /nfs/dbraw/zinc/58/50/14/507585014.db2.gz ADTLOCAAPPZAON-FQEVSTJZSA-N 0 3 369.452 3.376 40 0 FGABHN Cc1ccc2cc(CNC[C@@H](O)COc3ccc(C)c(C)c3)c(=O)[nH]c2c1 ZINC000585286452 507585820 /nfs/dbraw/zinc/58/58/20/507585820.db2.gz ZYMRPYLNVFYZIQ-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN CC(C)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3Cl)[C@@H]2O)CC1 ZINC000585289025 507587069 /nfs/dbraw/zinc/58/70/69/507587069.db2.gz CYNXAWKJFWMJDQ-QXAKKESOSA-N 0 3 352.906 3.027 40 0 FGABHN Cc1cccc(CN2CC[C@H](c3ccnc(Nc4cc(F)ccn4)n3)C2)n1 ZINC000257276604 534712378 /nfs/dbraw/zinc/71/23/78/534712378.db2.gz NULMBEQLXZSMGC-HNNXBMFYSA-N 0 3 364.428 3.447 40 0 FGABHN CN1CCN(Cc2cscn2)C[C@@H](Cc2cnc3ccccc3c2)C1 ZINC000257271835 529775333 /nfs/dbraw/zinc/77/53/33/529775333.db2.gz MZYYADBHVXNTRD-KRWDZBQOSA-N 0 3 352.507 3.298 40 0 FGABHN CN1CCC(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)CC1 ZINC000257265551 530047735 /nfs/dbraw/zinc/04/77/35/530047735.db2.gz LZDJSBIOYXQDEX-IBGZPJMESA-N 0 3 371.456 3.410 40 0 FGABHN CC(C)(C)c1cc(C[C@@H]2CC[C@H](O)[C@@H](CNCc3ccccc3)O2)no1 ZINC000077262486 291067122 /nfs/dbraw/zinc/06/71/22/291067122.db2.gz WVQUGJIWMWXKTP-GBESFXJTSA-N 0 3 358.482 3.213 40 0 biogenic,in-vitro FGABHN Cc1ccc(Nc2cc(C(F)(F)F)nc(NCCN(C)C)n2)c(Cl)c1 ZINC000329056732 223130729 /nfs/dbraw/zinc/13/07/29/223130729.db2.gz VUFNWOBOHVADDG-UHFFFAOYSA-N 0 3 373.810 3.018 40 0 FGABHN COc1ccccc1/C=C/CN1C[C@H]2CCC[C@@H](C1)C2(O)c1nccn1C ZINC000019291357 220245579 /nfs/dbraw/zinc/24/55/79/220245579.db2.gz DDPMXSRHYSTGIU-MCVNZZMPSA-N 0 3 367.493 3.062 40 0 FGABHN CC(C)NC(=O)Cn1cc(CN(C)C)c2ccnc(-c3cccs3)c21 ZINC000019449927 220258717 /nfs/dbraw/zinc/25/87/17/220258717.db2.gz UWNLPYISGAYUQJ-UHFFFAOYSA-N 0 3 356.495 3.351 40 0 FGABHN C[C@@H]1CCCCN1CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 ZINC000019496337 220261909 /nfs/dbraw/zinc/26/19/09/220261909.db2.gz BBLAZTQPRHNJLW-MRXNPFEDSA-N 0 3 366.509 3.397 40 0 FGABHN CN(C(=O)c1ccncc1)C1CCC2(CC1)CN(C)Cc1ccccc1O2 ZINC000019590889 220279148 /nfs/dbraw/zinc/27/91/48/220279148.db2.gz PXQQSWWEVYVQRX-UHFFFAOYSA-N 0 3 365.477 3.359 40 0 FGABHN Cc1cccc(CN(C)Cc2cc(N(C)C)nc([C@@H]3CCCCN3)n2)c1 ZINC000019709863 220288860 /nfs/dbraw/zinc/28/88/60/220288860.db2.gz SJEBAFDTWGFOBG-IBGZPJMESA-N 0 3 353.514 3.298 40 0 FGABHN CC1(C)S[C@@H](CN)N[C@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022796896 220398864 /nfs/dbraw/zinc/39/88/64/220398864.db2.gz VJDBJGIOWKYECA-WMZOPIPTSA-N 0 3 356.491 3.088 40 0 FGABHN CCOC(=O)[C@H]1CN(Cc2ccccc2)CCCN1Cc1ccccc1 ZINC000059616882 221126112 /nfs/dbraw/zinc/12/61/12/221126112.db2.gz WBPLFGZLXPQFKC-OAQYLSRUSA-N 0 3 352.478 3.326 40 0 FGABHN COc1cc(C)ccc1CN1CC[C@H](c2ncncc2-c2noc(C)n2)C1 ZINC000257213488 533655341 /nfs/dbraw/zinc/65/53/41/533655341.db2.gz CHUCKIADRIABGH-INIZCTEOSA-N 0 3 365.437 3.142 40 0 FGABHN c1ccc(COC[C@H]2CC3(CO2)CCN(Cc2ccccn2)CC3)nc1 ZINC000096106174 222025398 /nfs/dbraw/zinc/02/53/98/222025398.db2.gz ONSJLKRUBLSOGX-HXUWFJFHSA-N 0 3 353.466 3.065 40 0 FGABHN Cc1ccc(CN2CCC3(CC[C@@H]3NC(=O)c3cnccn3)CC2)s1 ZINC000096051490 222003065 /nfs/dbraw/zinc/00/30/65/222003065.db2.gz PRWPEYBVRHPOLY-KRWDZBQOSA-N 0 3 356.495 3.021 40 0 FGABHN C[C@H]1CN(Cc2ccc(F)cc2)CC[C@]12CC[C@H](C(=O)NCC1CC1)O2 ZINC000096061290 222006605 /nfs/dbraw/zinc/00/66/05/222006605.db2.gz ASWYRJQGYYSZCZ-NYSBEXSLSA-N 0 3 360.473 3.112 40 0 FGABHN O=C(Cc1cccnc1)N1CCC2(CCN(Cc3ccoc3)CC2)CC1 ZINC000096071766 222012412 /nfs/dbraw/zinc/01/24/12/222012412.db2.gz CGVUIIWXJANABW-UHFFFAOYSA-N 0 3 353.466 3.122 40 0 FGABHN CN1C[C@@H](COCC2CC2)[C@H]2CCN(Cc3ccccc3)CC[C@H]2C1=O ZINC000096100526 222022555 /nfs/dbraw/zinc/02/25/55/222022555.db2.gz MACUWKKBKAGAAX-PWRODBHTSA-N 0 3 356.510 3.030 40 0 FGABHN Cc1ccccc1CN1CC[C@@]2(C1)COCc1cnc(NCC3CC3)nc12 ZINC000096244096 222099265 /nfs/dbraw/zinc/09/92/65/222099265.db2.gz FVZIIJNLDISDRH-JOCHJYFZSA-N 0 3 364.493 3.281 40 0 FGABHN CCN(CC)C(=O)c1nc2c(s1)CCN(Cc1cccc(OC)c1)CC2 ZINC000096147054 222048322 /nfs/dbraw/zinc/04/83/22/222048322.db2.gz ICNBNGROJWXIDK-UHFFFAOYSA-N 0 3 373.522 3.235 40 0 FGABHN COc1ccc(N(C)c2ccc3ccc(C(=O)NCCN(C)C)cn32)cc1 ZINC000096146205 222048833 /nfs/dbraw/zinc/04/88/33/222048833.db2.gz VOCBMWPUDLQVRI-UHFFFAOYSA-N 0 3 366.465 3.007 40 0 FGABHN O=C1N(Cc2cccc(F)c2)CCC12CCN(Cc1ccncc1)CC2 ZINC000096157996 222057730 /nfs/dbraw/zinc/05/77/30/222057730.db2.gz KOTMUTYKVXGDGJ-UHFFFAOYSA-N 0 3 353.441 3.235 40 0 FGABHN c1cc(CN2CCC[C@]3(C[C@H](OCC4CCOCC4)CO3)C2)cs1 ZINC000096208563 222078916 /nfs/dbraw/zinc/07/89/16/222078916.db2.gz NNITXDWDYUCRPE-OALUTQOASA-N 0 3 351.512 3.315 40 0 FGABHN COc1cccc(CN2CCC[C@]3(CCN(C(=O)c4ccco4)C3)C2)c1 ZINC000096215596 222079988 /nfs/dbraw/zinc/07/99/88/222079988.db2.gz YTLMTNRUFFZJRN-NRFANRHFSA-N 0 3 354.450 3.417 40 0 FGABHN CCC(CC)CN1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC000096226101 222088781 /nfs/dbraw/zinc/08/87/81/222088781.db2.gz UVUIJHWYDZTCGQ-HXUWFJFHSA-N 0 3 361.461 3.099 40 0 FGABHN COc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc1 ZINC000007850142 494047136 /nfs/dbraw/zinc/04/71/36/494047136.db2.gz CIZVEOFXZOFPSF-UHFFFAOYSA-N 0 3 368.477 3.376 40 0 FGABHN COC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038835138 494118540 /nfs/dbraw/zinc/11/85/40/494118540.db2.gz HKJLJHQQCXZBRJ-KRWDZBQOSA-N 0 3 370.424 3.463 40 0 FGABHN COc1ccccc1CNC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038848832 494118772 /nfs/dbraw/zinc/11/87/72/494118772.db2.gz IOPQCAYVCUPLIS-SFHVURJKSA-N 0 3 356.441 3.363 40 0 FGABHN CCN1CCC[C@H]1c1cccnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000072216454 494144308 /nfs/dbraw/zinc/14/43/08/494144308.db2.gz CDYDZDWAKPFBSN-KRWDZBQOSA-N 0 3 360.502 3.296 40 0 FGABHN COC[C@@H]1CN(CCc2ccccc2)CCN(C(=O)C2CCCCC2)C1 ZINC000072354450 494156788 /nfs/dbraw/zinc/15/67/88/494156788.db2.gz MUTNUPJDLZEAKI-HXUWFJFHSA-N 0 3 358.526 3.216 40 0 FGABHN O=c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392883 494161809 /nfs/dbraw/zinc/16/18/09/494161809.db2.gz HCGCSMCADAWSHO-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392883 494161814 /nfs/dbraw/zinc/16/18/14/494161814.db2.gz HCGCSMCADAWSHO-QGZVFWFLSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccs3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392890 494161913 /nfs/dbraw/zinc/16/19/13/494161913.db2.gz OQQPEFKGQDFBAZ-HNNXBMFYSA-N 0 3 352.463 3.273 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccs3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392890 494161917 /nfs/dbraw/zinc/16/19/17/494161917.db2.gz OQQPEFKGQDFBAZ-HNNXBMFYSA-N 0 3 352.463 3.273 40 0 FGABHN CCCO[C@@H]1CCCN(Cc2cn(CC(=O)NC3CC3)c3ccccc23)C1 ZINC000012241466 494217009 /nfs/dbraw/zinc/21/70/09/494217009.db2.gz XSRCTVSALBLIHZ-LJQANCHMSA-N 0 3 369.509 3.311 40 0 FGABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccccc3)CC1)C[C@H]2O ZINC000012293304 494220106 /nfs/dbraw/zinc/22/01/06/494220106.db2.gz NLBZCFOSXWZRHN-WOJBJXKFSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1cc(C)c(S(=O)(=O)NCCCN2C[C@H](C)C[C@H](C)C2)c(C)c1 ZINC000013613486 494290565 /nfs/dbraw/zinc/29/05/65/494290565.db2.gz QFQAQPVUIDTALP-IYBDPMFKSA-N 0 3 352.544 3.258 40 0 FGABHN COc1cccc(OCCNC(=O)c2ccc(CN3CCCCC3)cc2)c1 ZINC000043843006 494323987 /nfs/dbraw/zinc/32/39/87/494323987.db2.gz NIBRLHZZGVLIQD-UHFFFAOYSA-N 0 3 368.477 3.490 40 0 FGABHN COc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)cc1 ZINC000107728589 494591359 /nfs/dbraw/zinc/59/13/59/494591359.db2.gz JUBQICUQWMOVFS-OXQOHEQNSA-N 0 3 357.429 3.075 40 0 FGABHN O[C@@H]1C[C@H]2CN(Cc3ccccc3Cl)[C@H](Cc3ccccc3)CN2C1 ZINC000095499961 494981111 /nfs/dbraw/zinc/98/11/11/494981111.db2.gz KKZOXUZTTJUWMY-HSALFYBXSA-N 0 3 356.897 3.202 40 0 FGABHN CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(OC)cc3)n2)cc1OCC ZINC000095534512 494989471 /nfs/dbraw/zinc/98/94/71/494989471.db2.gz NMFPEZYFWCGWLV-SFHVURJKSA-N 0 3 368.437 3.326 40 0 FGABHN COc1ccc(CN2CC[C@]3(C2)CCCN(C(=O)c2cccnc2)C3)cc1 ZINC000096047048 494997949 /nfs/dbraw/zinc/99/79/49/494997949.db2.gz ZXWXGHIQCOTINM-QFIPXVFZSA-N 0 3 365.477 3.219 40 0 FGABHN O=C(Cc1cccnc1)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1 ZINC000096047115 494998621 /nfs/dbraw/zinc/99/86/21/494998621.db2.gz RRNYYRMAHZOTLC-HXUWFJFHSA-N 0 3 355.507 3.200 40 0 FGABHN COc1ccc(CN2CCC3(C[C@@H](Oc4cccnc4)CO3)CC2)cc1 ZINC000096047893 494998988 /nfs/dbraw/zinc/99/89/88/494998988.db2.gz HWCZMNNKJWEVIU-HXUWFJFHSA-N 0 3 354.450 3.293 40 0 FGABHN COc1ccc(CN2CCC[C@]3(C[C@H](Nc4ccc(C)nn4)CO3)C2)cc1 ZINC000096048469 495000040 /nfs/dbraw/zinc/00/00/40/495000040.db2.gz HUUGNFFMTNKIER-RXVVDRJESA-N 0 3 368.481 3.029 40 0 FGABHN O=C(NCCOc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000224552337 497050090 /nfs/dbraw/zinc/05/00/90/497050090.db2.gz SVDHKTIZGRHHNF-UHFFFAOYSA-N 0 3 356.441 3.233 40 0 FGABHN Cn1cncc1CN1[C@H](Cc2ccccc2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257200207 497389359 /nfs/dbraw/zinc/38/93/59/497389359.db2.gz ACKCYZACBRCGMY-CBQOVEMMSA-N 0 3 366.509 3.055 40 0 FGABHN Cc1nc[nH]c1CN1CCC([C@@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257319982 497402684 /nfs/dbraw/zinc/40/26/84/497402684.db2.gz VUVUBLCCPGTZHN-HXUWFJFHSA-N 0 3 372.444 3.485 40 0 FGABHN O=C(c1nccc2ccccc21)N1CCC[C@@]2(CCN2C[C@@H]2CCCO2)C1 ZINC000585102107 507569085 /nfs/dbraw/zinc/56/90/85/507569085.db2.gz RVRDORXXJHDBFO-PGRDOPGGSA-N 0 3 365.477 3.094 40 0 FGABHN CC(=O)Nc1ccc(CN2CCC(O)(COc3ccc(C)cc3)CC2)cc1 ZINC000585272734 507581781 /nfs/dbraw/zinc/58/17/81/507581781.db2.gz QQQJJIFYJOAEEY-UHFFFAOYSA-N 0 3 368.477 3.359 40 0 FGABHN CCCn1nc(C)c(C(=O)N2CC[C@@H](c3cc(NC)cc(C)n3)C2)c1C ZINC000257305074 528871877 /nfs/dbraw/zinc/87/18/77/528871877.db2.gz SOICYESNDNWJPP-MRXNPFEDSA-N 0 3 355.486 3.285 40 0 FGABHN CC(C)CCN1C[C@@H]2[C@H](C1)Oc1ccc(C(F)(F)F)cc1C(=O)N2C ZINC000514288641 560034357 /nfs/dbraw/zinc/03/43/57/560034357.db2.gz KSPHQLJUVYASFE-ZBFHGGJFSA-N 0 3 356.388 3.269 40 0 biogenic,in-vitro FGABHN CN1CCN(Cc2cncs2)C[C@@H](Cc2cccc3cccnc32)C1 ZINC000257295232 529775295 /nfs/dbraw/zinc/77/52/95/529775295.db2.gz QXNLXUXMTVMUDB-INIZCTEOSA-N 0 3 352.507 3.298 40 0 FGABHN CN(C)Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)cc1 ZINC000257219032 223025071 /nfs/dbraw/zinc/02/50/71/223025071.db2.gz DFIPMMKNIRNLFP-IBGZPJMESA-N 0 3 352.482 3.187 40 0 FGABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCN(S(=O)(=O)N(C)C)C3)c2)cc1 ZINC000257278841 223049014 /nfs/dbraw/zinc/04/90/14/223049014.db2.gz ODWDIMYFARNORB-INIZCTEOSA-N 0 3 374.510 3.038 40 0 FGABHN Cc1cc(F)ccc1Nc1cc(-c2ccccn2)nc(NCCN(C)C)n1 ZINC000328957283 223126590 /nfs/dbraw/zinc/12/65/90/223126590.db2.gz AJVLPAKIPSHYCR-UHFFFAOYSA-N 0 3 366.444 3.125 40 0 FGABHN CC(=O)N1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2Cc1cccnc1 ZINC000019017780 220233648 /nfs/dbraw/zinc/23/36/48/220233648.db2.gz XMDLBIJFHDTVNY-NJDAHSKKSA-N 0 3 353.441 3.200 40 0 FGABHN O=c1cc(-c2ccccn2)nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)[nH]1 ZINC000019402433 220254906 /nfs/dbraw/zinc/25/49/06/220254906.db2.gz RILXQDZZXMMNKM-MRXNPFEDSA-N 0 3 364.424 3.351 40 0 FGABHN CCC[C@@H](c1nnnn1Cc1cccs1)N1CCN(C2CCCC2)CC1 ZINC000019501957 220263436 /nfs/dbraw/zinc/26/34/36/220263436.db2.gz DEIOWZXJOVAWES-SFHVURJKSA-N 0 3 374.558 3.184 40 0 FGABHN COc1ccc2[nH]c(CN3CCC(N4C[C@H](C)O[C@@H](C)C4)CC3)cc2c1 ZINC000019497377 220264113 /nfs/dbraw/zinc/26/41/13/220264113.db2.gz QXJUVXWLNPJYJH-HOTGVXAUSA-N 0 3 357.498 3.250 40 0 FGABHN CCCn1ncc(C(=O)N(CCc2ccccc2)C2CCN(C)CC2)c1C ZINC000019525853 220268495 /nfs/dbraw/zinc/26/84/95/220268495.db2.gz CFQAVAGLLADHRR-UHFFFAOYSA-N 0 3 368.525 3.381 40 0 FGABHN COCCC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 ZINC000019593243 220279155 /nfs/dbraw/zinc/27/91/55/220279155.db2.gz HYUSSBOXXORGOU-UHFFFAOYSA-N 0 3 362.489 3.255 40 0 FGABHN CNc1cc(C)nc([C@@H]2CN(C(=O)CCc3cccc(F)c3)CCO2)c1 ZINC000257234596 533046332 /nfs/dbraw/zinc/04/63/32/533046332.db2.gz GUHASZYFARHUKM-IBGZPJMESA-N 0 3 357.429 3.104 40 0 FGABHN Cc1cc(C)c2cc(CNCc3cccs3)c3nn(C)c(=O)n3c2c1 ZINC000057811692 221094589 /nfs/dbraw/zinc/09/45/89/221094589.db2.gz ZTEXWRJNMVXJQX-UHFFFAOYSA-N 0 3 352.463 3.154 40 0 FGABHN Cc1cccc(CO[C@@H]2COC3(C2)CCN(Cc2cccnc2)CC3)n1 ZINC000096106805 222024693 /nfs/dbraw/zinc/02/46/93/222024693.db2.gz SPWDDPXIVQZZMT-FQEVSTJZSA-N 0 3 353.466 3.125 40 0 FGABHN COc1ccccc1CN1CCC2(C[C@H](Oc3ccccn3)CO2)CC1 ZINC000096106996 222026199 /nfs/dbraw/zinc/02/61/99/222026199.db2.gz BQOWMKGDRQKYDX-SFHVURJKSA-N 0 3 354.450 3.293 40 0 FGABHN COc1ccc(CN2CC[C@]3(CC(=O)N(c4cccc(F)c4)C3)C2)cc1 ZINC000096050727 222001802 /nfs/dbraw/zinc/00/18/02/222001802.db2.gz BDUCPEYQZFOXIJ-NRFANRHFSA-N 0 3 354.425 3.463 40 0 FGABHN Cc1ccc(CN2CCN3C[C@H](OCc4cccc(C)n4)C[C@@H]3C2)s1 ZINC000096055086 222005792 /nfs/dbraw/zinc/00/57/92/222005792.db2.gz URJOYYSFRMYGFF-RTBURBONSA-N 0 3 357.523 3.235 40 0 FGABHN CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3cccc4ncccc43)C2)C1 ZINC000096076228 222013810 /nfs/dbraw/zinc/01/38/10/222013810.db2.gz HFGZCIUEANNHLP-QFIPXVFZSA-N 0 3 367.493 3.198 40 0 FGABHN COc1cccc(CN2CCc3nc(C(=O)NCC(C)C)sc3CC2)c1 ZINC000096146983 222048556 /nfs/dbraw/zinc/04/85/56/222048556.db2.gz YDTXNPXKCIJELS-UHFFFAOYSA-N 0 3 373.522 3.138 40 0 FGABHN c1cncc(OC[C@@H]2COCCC23CCN(Cc2ccncc2)CC3)c1 ZINC000096215583 222079686 /nfs/dbraw/zinc/07/96/86/222079686.db2.gz SDISEFMXTUZTDZ-IBGZPJMESA-N 0 3 353.466 3.174 40 0 FGABHN c1csc(CN2CCC[C@]3(CCN(Cc4ccc5c(c4)OCO5)C3)C2)n1 ZINC000096215725 222082349 /nfs/dbraw/zinc/08/23/49/222082349.db2.gz GRAWCLSPSHWNJL-FQEVSTJZSA-N 0 3 371.506 3.360 40 0 FGABHN CNCc1cc([C@H]2CC[C@H](CN(C)C(=O)C[C@H]3C=CCC3)CC2)nn1C ZINC000100687617 222249567 /nfs/dbraw/zinc/24/95/67/222249567.db2.gz XYKYWDWTDGVVSZ-OKZBNKHCSA-N 0 3 358.530 3.228 40 0 FGABHN CCCCN[C@@H](c1ccc2c(c1)OCO2)[C@@H](O)c1ccc2c(c1)OCO2 ZINC000001667306 493797541 /nfs/dbraw/zinc/79/75/41/493797541.db2.gz HVRXOTZKIFBAIX-PMACEKPBSA-N 0 3 357.406 3.308 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccccc1 ZINC000002263701 493804444 /nfs/dbraw/zinc/80/44/44/493804444.db2.gz YKFWAKMOOYQKRM-AQNXPRMDSA-N 0 3 371.396 3.133 40 0 FGABHN CC(C)(C)OC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)cn2)CC1 ZINC000072225575 494145692 /nfs/dbraw/zinc/14/56/92/494145692.db2.gz UXIXLCVUHHMEQZ-LJQANCHMSA-N 0 3 368.481 3.187 40 0 FGABHN Cc1ccccc1-c1cncc(C2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000072359672 494157166 /nfs/dbraw/zinc/15/71/66/494157166.db2.gz AMCROVWATXISGT-UHFFFAOYSA-N 0 3 364.493 3.254 40 0 FGABHN c1cc(CN2CCn3c(nnc3[C@@H]3CCCN3)C2)cc(OC2CCCC2)c1 ZINC000072373968 494159877 /nfs/dbraw/zinc/15/98/77/494159877.db2.gz PMOPDVNGRVQIHP-IBGZPJMESA-N 0 3 367.497 3.040 40 0 FGABHN O[C@H](c1cccnc1)c1ccccc1N1CCN(CC2CCCC2)CC1 ZINC000012089526 494203921 /nfs/dbraw/zinc/20/39/21/494203921.db2.gz LBMQDJRRIQMIGG-JOCHJYFZSA-N 0 3 351.494 3.476 40 0 FGABHN COc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccccc2O3)cc1 ZINC000012329868 494225884 /nfs/dbraw/zinc/22/58/84/494225884.db2.gz SJKPVXRWVPWKOM-UXHICEINSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1ccc2c(c1)CN(C)C[C@]1(CCCN(C(=O)Cc3ccccc3)C1)O2 ZINC000012366370 494227947 /nfs/dbraw/zinc/22/79/47/494227947.db2.gz ZBIXAIJXPJBBFR-QHCPKHFHSA-N 0 3 364.489 3.423 40 0 FGABHN COc1cc(CN2CC[C@H]3NC(=O)CCC[C@H]32)ccc1OC1CCCC1 ZINC000019713243 494456556 /nfs/dbraw/zinc/45/65/56/494456556.db2.gz CFAMIRXWKMPODI-QZTJIDSGSA-N 0 3 358.482 3.260 40 0 FGABHN CCOC[C@H](CN(CC)CC)N(CC)CC(=O)Nc1c(C)cccc1C ZINC000022871036 494539679 /nfs/dbraw/zinc/53/96/79/494539679.db2.gz DIWYWVXXZQKSHS-IBGZPJMESA-N 0 3 363.546 3.311 40 0 FGABHN c1cncc(COC[C@]23CCCO[C@H]2CCN(Cc2ccncc2)C3)c1 ZINC000096040105 494997717 /nfs/dbraw/zinc/99/77/17/494997717.db2.gz PHLHKOLRWDDKET-LEWJYISDSA-N 0 3 353.466 3.065 40 0 FGABHN COc1ccc(C)cc1CN1C[C@@H]2CC[C@](O)(c3ncccc3C)[C@H]2C1 ZINC000247942432 496930128 /nfs/dbraw/zinc/93/01/28/496930128.db2.gz VITLRXRNPGWSJZ-LQBOVUBWSA-N 0 3 352.478 3.437 40 0 FGABHN CCn1cc(CN2C[C@@H]3CCC[C@@](O)(c4ccc(F)cc4)[C@H]3C2)c(C)n1 ZINC000248046944 496947547 /nfs/dbraw/zinc/94/75/47/496947547.db2.gz VUTKKGDZKVMGFB-ORYQWCPZSA-N 0 3 357.473 3.470 40 0 FGABHN CCN1CCN(c2cc(NC(=O)c3ccccc3C)c(N)cc2C)CC1 ZINC000216867812 496992850 /nfs/dbraw/zinc/99/28/50/496992850.db2.gz QIWJLCIBSGUVCA-UHFFFAOYSA-N 0 3 352.482 3.280 40 0 FGABHN COc1ccccc1-c1cnc2n1C[C@]1(CCN(Cc3ccccn3)C1)C2 ZINC000306143684 533913443 /nfs/dbraw/zinc/91/34/43/533913443.db2.gz YIXZZYWRJMQNTR-JOCHJYFZSA-N 0 3 360.461 3.402 40 0 FGABHN Cc1cnc([C@@H]2CCCN(C(=O)CCN(C)Cc3cccnc3)C2)s1 ZINC000257282650 534627077 /nfs/dbraw/zinc/62/70/77/534627077.db2.gz OUQHXRGHNQEYJL-QGZVFWFLSA-N 0 3 358.511 3.075 40 0 FGABHN O=C1N[C@@H](c2ccccc2)[C@H](O)CC12CCN(Cc1ccccc1F)CC2 ZINC000257204035 534794477 /nfs/dbraw/zinc/79/44/77/534794477.db2.gz ASTUIKRMMJQHEK-UXHICEINSA-N 0 3 368.452 3.030 40 0 FGABHN CC(=O)N[C@@H]1C[C@H](c2ccc(OCCN(C)C)cc2)O[C@@H]2CCCC[C@@H]12 ZINC000257227090 526865579 /nfs/dbraw/zinc/86/55/79/526865579.db2.gz FNOJJILBEMLFCW-DOIPELPJSA-N 0 3 360.498 3.152 40 0 FGABHN CCNc1nc(C)c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3C)s1 ZINC000257307197 528440789 /nfs/dbraw/zinc/44/07/89/528440789.db2.gz SXPHSYGCLKLUSW-ZTENYAIWSA-N 0 3 362.543 3.361 40 0 FGABHN CC(C)N1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257220215 529018898 /nfs/dbraw/zinc/01/88/98/529018898.db2.gz DKAWXZRHHRMCQI-LJQANCHMSA-N 0 3 360.527 3.342 40 0 FGABHN CC(C)CCN1C[C@@H]2[C@H](C1)Oc1cc(-c3cccnc3)ccc1C(=O)N2C ZINC000514290291 560029702 /nfs/dbraw/zinc/02/97/02/560029702.db2.gz XHGLXBYUBNHUCK-CTNGQTDRSA-N 0 3 365.477 3.312 40 0 biogenic,in-vitro FGABHN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@]2(CN)COC)cc1 ZINC000218519756 222682728 /nfs/dbraw/zinc/68/27/28/222682728.db2.gz LIOYCOABXWMXEA-NJYVYQBISA-N 0 3 373.518 3.089 40 0 FGABHN CN(C)Cc1cccc(-c2cccnc2C(=O)NCCc2ccccn2)c1 ZINC000257203770 223016931 /nfs/dbraw/zinc/01/69/31/223016931.db2.gz ARPDFNRRMCMRPP-UHFFFAOYSA-N 0 3 360.461 3.178 40 0 FGABHN CN(C)Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)cc1 ZINC000257219033 223024700 /nfs/dbraw/zinc/02/47/00/223024700.db2.gz DFIPMMKNIRNLFP-LJQANCHMSA-N 0 3 352.482 3.187 40 0 FGABHN Cc1nccc(CN2CC[C@@H]3O[C@@](C)(COc4ccccc4)C[C@@H]3C2)n1 ZINC000257290331 223052247 /nfs/dbraw/zinc/05/22/47/223052247.db2.gz QCLNAZIPAYQBDN-JRGCBEDISA-N 0 3 353.466 3.234 40 0 FGABHN c1ccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)nc1 ZINC000306127047 223106967 /nfs/dbraw/zinc/10/69/67/223106967.db2.gz FMNSYUGXZZRUTP-SFHVURJKSA-N 0 3 356.433 3.176 40 0 FGABHN O=S(=O)([N-]Cc1ccc(C[NH+]2CCCCC2)cc1)c1cccs1 ZINC000015357109 220152497 /nfs/dbraw/zinc/15/24/97/220152497.db2.gz YKKFRSCGMATHAC-UHFFFAOYSA-N 0 3 350.509 3.213 40 0 FGABHN Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccccc4Cl)C3)o2)cn1 ZINC000019239189 220243307 /nfs/dbraw/zinc/24/33/07/220243307.db2.gz PVPICOALNLXFHR-CQSZACIVSA-N 0 3 355.829 3.478 40 0 FGABHN COc1ccc(CN2C[C@H]3[C@H](CC[C@]3(O)c3ncccc3C)C2)c(F)c1 ZINC000019237865 220243408 /nfs/dbraw/zinc/24/34/08/220243408.db2.gz RGWXIAMOUJLHSV-FYINFDKHSA-N 0 3 356.441 3.267 40 0 FGABHN CCc1c(C)nc([C@H]2CCCN(Cc3ccc(OC)c(OC)c3)C2)[nH]c1=O ZINC000019521549 220265316 /nfs/dbraw/zinc/26/53/16/220265316.db2.gz OJOJJJDUMUQRPN-INIZCTEOSA-N 0 3 371.481 3.038 40 0 FGABHN CNc1cc([C@@H]2CCCN(C(=O)c3ccc(CN(C)C)cc3)C2)ccn1 ZINC000257225065 533053666 /nfs/dbraw/zinc/05/36/66/533053666.db2.gz FERHUDWIFPXEMW-LJQANCHMSA-N 0 3 352.482 3.205 40 0 FGABHN Cc1cc(C)n([C@H](C)C(=O)NCCNc2cc(C)nc3ccccc32)n1 ZINC000019660602 220283002 /nfs/dbraw/zinc/28/30/02/220283002.db2.gz RVDPCOYHQVIZKP-MRXNPFEDSA-N 0 3 351.454 3.146 40 0 FGABHN Cc1cc(C)n(C2CCN(Cc3ccc(N4CCCC4=O)cc3)CC2)n1 ZINC000019657936 220283380 /nfs/dbraw/zinc/28/33/80/220283380.db2.gz TXIPSHOHXOPAGA-UHFFFAOYSA-N 0 3 352.482 3.464 40 0 FGABHN CCN(C(=O)CCc1c(C)nn(-c2ccccc2)c1C)C1CCN(C)CC1 ZINC000072391808 221492473 /nfs/dbraw/zinc/49/24/73/221492473.db2.gz GHGBOLZSYTWKMD-UHFFFAOYSA-N 0 3 368.525 3.364 40 0 FGABHN Cc1ccc(CN2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050251 132217511 /nfs/dbraw/zinc/21/75/11/132217511.db2.gz QHJPFFRHYHTUCB-HXUWFJFHSA-N 0 3 373.497 3.119 40 0 FGABHN Cc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C(=O)CO3)s1 ZINC000096049230 132217514 /nfs/dbraw/zinc/21/75/14/132217514.db2.gz JMAWUGDHDAQZOI-UHFFFAOYSA-N 0 3 356.491 3.455 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC000096050252 132217541 /nfs/dbraw/zinc/21/75/41/132217541.db2.gz QHJPFFRHYHTUCB-FQEVSTJZSA-N 0 3 373.497 3.119 40 0 FGABHN c1coc(CN2C[C@@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000247878628 132292072 /nfs/dbraw/zinc/29/20/72/132292072.db2.gz BHOFFDZNVARFKO-DENIHFKCSA-N 0 3 360.461 3.350 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)s1 ZINC000096107736 222026162 /nfs/dbraw/zinc/02/61/62/222026162.db2.gz IGWGERXHMCTDNT-MJGOQNOKSA-N 0 3 351.512 3.233 40 0 FGABHN Cc1nc(CO[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)cs1 ZINC000096107783 222026612 /nfs/dbraw/zinc/02/66/12/222026612.db2.gz WLNITLAHRCHDPK-SJORKVTESA-N 0 3 350.509 3.463 40 0 FGABHN FC(F)(F)c1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 ZINC000096112694 222029183 /nfs/dbraw/zinc/02/91/83/222029183.db2.gz ZCZXWFXBFLFKAG-AWEZNQCLSA-N 0 3 362.355 3.311 40 0 biogenic,in-vitro FGABHN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(Cc1ccc(F)cc1)CC2 ZINC000096048055 222000270 /nfs/dbraw/zinc/00/02/70/222000270.db2.gz OUUVDMGXIQMNNV-NRFANRHFSA-N 0 3 369.484 3.476 40 0 FGABHN Cc1ccc(C(=O)N2CCOC[C@@]3(CCN(Cc4cccs4)C3)C2)o1 ZINC000096062411 222009394 /nfs/dbraw/zinc/00/93/94/222009394.db2.gz WBXDWWYOPBSOCQ-LJQANCHMSA-N 0 3 360.479 3.014 40 0 FGABHN COCCN1CCC2(CC1)C[C@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242755 222096983 /nfs/dbraw/zinc/09/69/83/222096983.db2.gz ZZVLDYPWFFEXDI-IBGZPJMESA-N 0 3 356.466 3.374 40 0 FGABHN Cc1ccc(CN2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)s1 ZINC000107228838 222392347 /nfs/dbraw/zinc/39/23/47/222392347.db2.gz USTHHVVYJDPNIW-VQIMIIECSA-N 0 3 358.511 3.106 40 0 FGABHN CCc1ccc(N2C(=O)C[C@@H](NCCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000008215670 263353120 /nfs/dbraw/zinc/35/31/20/263353120.db2.gz DKFZJPIYEHWWEU-HXUWFJFHSA-N 0 3 361.445 3.195 40 0 FGABHN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCCCN1CCCCC1 ZINC000010280021 494148190 /nfs/dbraw/zinc/14/81/90/494148190.db2.gz JDWCMLCUBUWVGB-UHFFFAOYSA-N 0 3 365.326 3.289 40 0 FGABHN CCN(CC)CCOC(=O)[C@@](O)(c1ccccc1)c1ccc(C)cc1C ZINC000001710829 493797897 /nfs/dbraw/zinc/79/78/97/493797897.db2.gz SNKBOBDWDBNOPR-JOCHJYFZSA-N 0 3 355.478 3.424 40 0 FGABHN CCN(CC)CCOC(=O)C(O)(c1ccccc1C)c1ccccc1C ZINC000001768930 493797946 /nfs/dbraw/zinc/79/79/46/493797946.db2.gz PUBCKQRENFVXBA-UHFFFAOYSA-N 0 3 355.478 3.424 40 0 FGABHN CN(C)CCNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000005557597 493935103 /nfs/dbraw/zinc/93/51/03/493935103.db2.gz HBOMEZQHAGZWGL-UHFFFAOYSA-N 0 3 357.237 3.457 40 0 FGABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@H](O)CN(CCO)Cc1ccccc1 ZINC000006617318 493971287 /nfs/dbraw/zinc/97/12/87/493971287.db2.gz GLAIIEFQDDCTQE-GPQLQYNLSA-N 0 3 361.526 3.073 40 0 FGABHN COc1ccccc1[C@]1(O)CCCN(C[C@H](O)c2ccc3c(c2)CCC3)C1 ZINC000036741295 494097895 /nfs/dbraw/zinc/09/78/95/494097895.db2.gz WLTDFPCOGHSCOJ-GMAHTHKFSA-N 0 3 367.489 3.201 40 0 FGABHN CCOc1ccc(CN2CCC(c3cc(N)n4nc(C)cc4n3)CC2)cc1 ZINC000072337305 494154031 /nfs/dbraw/zinc/15/40/31/494154031.db2.gz DIVUZIFPNBMDNP-UHFFFAOYSA-N 0 3 365.481 3.398 40 0 FGABHN NC(=O)c1cccc(-c2nccnc2[C@H]2CCCN(Cc3ccccn3)C2)c1 ZINC000072358621 494156706 /nfs/dbraw/zinc/15/67/06/494156706.db2.gz IURAIEUDTBBQFQ-SFHVURJKSA-N 0 3 373.460 3.017 40 0 FGABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc4c(c3)CCO4)C[C@H]21 ZINC000072392531 494161718 /nfs/dbraw/zinc/16/17/18/494161718.db2.gz YBOVBXYDJIPRTJ-JQVVWYNYSA-N 0 3 350.462 3.055 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393050 494164004 /nfs/dbraw/zinc/16/40/04/494164004.db2.gz OENVYWXVSGMIOP-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)nc(-c2cccnc2)[n-]1 ZINC000072393050 494164007 /nfs/dbraw/zinc/16/40/07/494164007.db2.gz OENVYWXVSGMIOP-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)c(OC)c1 ZINC000012134956 494207289 /nfs/dbraw/zinc/20/72/89/494207289.db2.gz VJFNQGAQVLEKEO-QIDMFYOTSA-N 0 3 368.477 3.219 40 0 FGABHN COc1cccc(OC)c1CN1CCC(c2[nH]nc3ncccc32)CC1 ZINC000012143424 494208315 /nfs/dbraw/zinc/20/83/15/494208315.db2.gz XNQMZHZKSHKNCG-UHFFFAOYSA-N 0 3 352.438 3.355 40 0 FGABHN Cc1cccc(C2(O)CCN(C[C@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)c1 ZINC000012361310 494226565 /nfs/dbraw/zinc/22/65/65/494226565.db2.gz LOGIFICAZOISOG-UWJYYQICSA-N 0 3 367.489 3.335 40 0 FGABHN CC[C@H](CN1CCCC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012362878 494226722 /nfs/dbraw/zinc/22/67/22/494226722.db2.gz IJHLHCXJCXRBJC-CQSZACIVSA-N 0 3 361.486 3.482 40 0 FGABHN Cc1nc([C@H]2CC[N@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[n-]1 ZINC000019285274 494439436 /nfs/dbraw/zinc/43/94/36/494439436.db2.gz HIPMLQZNNPVJGQ-KRWDZBQOSA-N 0 3 352.482 3.058 40 0 FGABHN Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3N3CCCCC3)C2)cc(=O)[n-]1 ZINC000019285274 494439445 /nfs/dbraw/zinc/43/94/45/494439445.db2.gz HIPMLQZNNPVJGQ-KRWDZBQOSA-N 0 3 352.482 3.058 40 0 FGABHN CNc1cc(CN(C)Cc2cccc3cccnc32)nc([C@@H]2CCCN2)n1 ZINC000019759849 494459762 /nfs/dbraw/zinc/45/97/62/494459762.db2.gz ROEXSMXWLRIDLC-SFHVURJKSA-N 0 3 362.481 3.123 40 0 FGABHN Cc1ccc(CN2CCC3(C[C@@H](N(C)Cc4ccccn4)CO3)CC2)o1 ZINC000096048051 494998946 /nfs/dbraw/zinc/99/89/46/494998946.db2.gz BSNWHPPWSAAKDD-LJQANCHMSA-N 0 3 355.482 3.239 40 0 FGABHN Cc1cccc(CS(=O)(=O)NCc2ccccc2CN2CCCC2)c1 ZINC000170657223 495549050 /nfs/dbraw/zinc/54/90/50/495549050.db2.gz YEAFQQDCITYUQE-UHFFFAOYSA-N 0 3 358.507 3.210 40 0 FGABHN CC[C@H]1CCCCN1CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000222896827 497029036 /nfs/dbraw/zinc/02/90/36/497029036.db2.gz RNTRTQHSNOVVIB-HNNXBMFYSA-N 0 3 374.934 3.282 40 0 FGABHN Cc1nc[nH]c1CN1CCC([C@]2(C)CN(c3ccc(F)cc3)C(=O)O2)CC1 ZINC000257319981 497402677 /nfs/dbraw/zinc/40/26/77/497402677.db2.gz VUVUBLCCPGTZHN-FQEVSTJZSA-N 0 3 372.444 3.485 40 0 FGABHN Cc1cccc(Cl)c1Nc1cc(C(F)(F)F)nc(NCCN(C)C)n1 ZINC000329023894 499019014 /nfs/dbraw/zinc/01/90/14/499019014.db2.gz OWABFUYREUNWEW-UHFFFAOYSA-N 0 3 373.810 3.018 40 0 FGABHN Cc1cccc(CN2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)c1 ZINC000585103583 507570315 /nfs/dbraw/zinc/57/03/15/507570315.db2.gz DREBCVBJHYFEAV-HSZRJFAPSA-N 0 3 364.489 3.246 40 0 FGABHN C[C@@H](c1ccccc1)N1C[C@@]2(CC1=O)COCCN(Cc1ccccc1)C2 ZINC000585105031 507570655 /nfs/dbraw/zinc/57/06/55/507570655.db2.gz YWLPSBFEKCPUKP-CVDCTZTESA-N 0 3 364.489 3.499 40 0 FGABHN O=C1C[C@@]2(CN1c1ccc(F)cc1)COCCN(Cc1ccccc1)C2 ZINC000585104569 507570827 /nfs/dbraw/zinc/57/08/27/507570827.db2.gz QNTILDBIOUPZHH-OAQYLSRUSA-N 0 3 354.425 3.081 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@H](O)COc3cccc(C)c3C)cc2c1 ZINC000585285666 507583706 /nfs/dbraw/zinc/58/37/06/507583706.db2.gz RQHZJMFQQIZNBY-IBGZPJMESA-N 0 3 366.461 3.395 40 0 FGABHN Cc1ccc2[nH]c(=O)c(CNC[C@@H](O)COc3c(C)cccc3C)cc2c1 ZINC000585286423 507586358 /nfs/dbraw/zinc/58/63/58/507586358.db2.gz ZJOQXUIKNNFOEF-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN CN(C)C/C=C/C(=O)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 ZINC000585292459 507586872 /nfs/dbraw/zinc/58/68/72/507586872.db2.gz MWGWFIPVOATJIK-RZIFZGNASA-N 0 3 357.483 3.063 40 0 FGABHN Cc1nc(-c2noc3cc(Cl)ccc32)sc1C(=O)NCCN(C)C ZINC000206345310 222625876 /nfs/dbraw/zinc/62/58/76/222625876.db2.gz UELGNMCVUZPJJW-UHFFFAOYSA-N 0 3 364.858 3.205 40 0 FGABHN c1cc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)ccn1 ZINC000306128783 223108781 /nfs/dbraw/zinc/10/87/81/223108781.db2.gz HKGSRXPVUUJLOE-IBGZPJMESA-N 0 3 356.433 3.176 40 0 FGABHN O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 ZINC000019293373 220246804 /nfs/dbraw/zinc/24/68/04/220246804.db2.gz SCDOQOASCLOOLX-GOSISDBHSA-N 0 3 370.884 3.072 40 0 FGABHN O[C@@]1(c2ccccc2)CCN(Cc2cccc(OC[C@@H]3CCCO3)c2)C1 ZINC000019369769 220253172 /nfs/dbraw/zinc/25/31/72/220253172.db2.gz OGKGTIPNROVSPT-VXKWHMMOSA-N 0 3 353.462 3.338 40 0 FGABHN Fc1ccccc1CN1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3ncnc3N2)C1 ZINC000019348979 220254011 /nfs/dbraw/zinc/25/40/11/220254011.db2.gz JSVVPJGMTBTDQO-CWRNSKLLSA-N 0 3 365.403 3.320 40 0 FGABHN CCOc1ccccc1CN1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 ZINC000019520176 220266549 /nfs/dbraw/zinc/26/65/49/220266549.db2.gz XNIAJWKRFYIBOY-INIZCTEOSA-N 0 3 365.481 3.398 40 0 FGABHN Cc1ncsc1C(=O)N(C)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019561978 220274688 /nfs/dbraw/zinc/27/46/88/220274688.db2.gz FTLFJDRWOVKKDZ-UHFFFAOYSA-N 0 3 371.506 3.387 40 0 FGABHN COc1ccc2c(c1)C(=O)NC[C@H]([C@H]1CCCN(Cc3ccccc3)C1)O2 ZINC000019562126 220274713 /nfs/dbraw/zinc/27/47/13/220274713.db2.gz WBKXQMHJBQCHOG-LAUBAEHRSA-N 0 3 366.461 3.098 40 0 FGABHN CN(C)CCN(Cc1cccc(Oc2ncccn2)c1)Cc1ccccn1 ZINC000019582599 220275142 /nfs/dbraw/zinc/27/51/42/220275142.db2.gz AOWGFSYJNQBCDR-UHFFFAOYSA-N 0 3 363.465 3.228 40 0 FGABHN C[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN3C[C@@H]3CCOC3)cc2N1 ZINC000019574847 220276423 /nfs/dbraw/zinc/27/64/23/220276423.db2.gz QSXDIHZYCFTLOZ-PAPYEOQZSA-N 0 3 358.408 3.364 40 0 FGABHN COc1c(CN2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)nn1C ZINC000019654488 220280065 /nfs/dbraw/zinc/28/00/65/220280065.db2.gz BTGDAQSNBSBHKP-OAHLLOKOSA-N 0 3 353.470 3.068 40 0 FGABHN COCCN1CCC2(CC1)C[C@@H](NCc1ccoc1)c1ccccc1O2 ZINC000096242756 222097252 /nfs/dbraw/zinc/09/72/52/222097252.db2.gz ZZVLDYPWFFEXDI-LJQANCHMSA-N 0 3 356.466 3.374 40 0 FGABHN COc1cccc(CN2CCC3(CCN(c4ncc(F)cn4)C3)CC2)c1 ZINC000096157606 222058891 /nfs/dbraw/zinc/05/88/91/222058891.db2.gz VOHOETBSYRYSDN-UHFFFAOYSA-N 0 3 356.445 3.117 40 0 FGABHN COc1cccc(CN2CCC[C@@]3(CCN(C(=O)c4ccccn4)C3)C2)c1 ZINC000096215635 222080599 /nfs/dbraw/zinc/08/05/99/222080599.db2.gz IMCFYVIVQKZEHD-JOCHJYFZSA-N 0 3 365.477 3.219 40 0 FGABHN O=C1C2ON(c3ccccc3)[C@H](c3ccco3)[C@H]2C(=O)N1c1ccccc1 ZINC000100722352 222250379 /nfs/dbraw/zinc/25/03/79/222250379.db2.gz NRGSUXPIXSRJFZ-QRVBRYPASA-N 0 3 360.369 3.331 40 0 FGABHN COc1ccc(CN(C)C[C@@H](O)COCC2=CC[C@@H]3C[C@H]2C3(C)C)cc1 ZINC000007063399 493998941 /nfs/dbraw/zinc/99/89/41/493998941.db2.gz LXVDMUCOTJZXFF-SFHLNBCPSA-N 0 3 359.510 3.497 40 0 FGABHN CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCC(C)CC3)cc2)CC1 ZINC000035818574 494081201 /nfs/dbraw/zinc/08/12/01/494081201.db2.gz HABIYMSRTLRCAS-UHFFFAOYSA-N 0 3 372.509 3.334 40 0 FGABHN CC(=O)Nc1ccc(CN[C@@H]2CCC(=O)N[C@H]2c2cc(F)cc(F)c2)cc1 ZINC000036740092 494097963 /nfs/dbraw/zinc/09/79/63/494097963.db2.gz OHFCUSUNBNSSCT-QUCCMNQESA-N 0 3 373.403 3.033 40 0 FGABHN Cn1cc(CN2CCC[C@@H](c3cccc(-c4cccc(CO)c4)n3)C2)cn1 ZINC000072349969 494156389 /nfs/dbraw/zinc/15/63/89/494156389.db2.gz HEFLSTRRWUVUKL-HXUWFJFHSA-N 0 3 362.477 3.354 40 0 FGABHN Cc1cc(Oc2ccccc2F)nc([C@H]2CCCN2C(=O)C(C)(C)N)n1 ZINC000072384385 494162540 /nfs/dbraw/zinc/16/25/40/494162540.db2.gz PVRPYRJLNWXVMA-CQSZACIVSA-N 0 3 358.417 3.117 40 0 FGABHN CC(=O)N1Cc2ccccc2O[C@@]2(CCCN(Cc3ccccc3)C2)C1 ZINC000012087203 494202435 /nfs/dbraw/zinc/20/24/35/494202435.db2.gz SDSVRXAXJVBQCC-JOCHJYFZSA-N 0 3 350.462 3.462 40 0 FGABHN COc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)c(OC)c1 ZINC000012089063 494204042 /nfs/dbraw/zinc/20/40/42/494204042.db2.gz MOVJPCZSZRORGS-VSOVRNOCSA-N 0 3 368.477 3.219 40 0 FGABHN COc1cccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccccc2O3)c1 ZINC000012329993 494225900 /nfs/dbraw/zinc/22/59/00/494225900.db2.gz QRNVFCBDGINPCI-PMACEKPBSA-N 0 3 369.461 3.079 40 0 FGABHN Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccc4c(c3)C[C@H](C)O4)CC2)c1 ZINC000012361313 494226443 /nfs/dbraw/zinc/22/64/43/494226443.db2.gz LOGIFICAZOISOG-LAUBAEHRSA-N 0 3 367.489 3.335 40 0 FGABHN CCn1ncc(CN2C[C@@H]3CCC[C@](O)(c4ccc(F)cc4)[C@H]3C2)c1C ZINC000247832804 496920465 /nfs/dbraw/zinc/92/04/65/496920465.db2.gz LXHRRDLKTCIKNR-NDXORKPFSA-N 0 3 357.473 3.470 40 0 FGABHN CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC[C@@H](O)CN(CCO)Cc1ccccc1 ZINC000226721443 497085699 /nfs/dbraw/zinc/08/56/99/497085699.db2.gz GLAIIEFQDDCTQE-ITTUMRLJSA-N 0 3 361.526 3.073 40 0 FGABHN C[C@H](c1ccccc1F)n1cc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)nn1 ZINC000245227861 526118856 /nfs/dbraw/zinc/11/88/56/526118856.db2.gz WVUUNZKCQDVQMJ-BZUAXINKSA-N 0 3 373.476 3.019 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOCc2ccncc2)nc1 ZINC000247910950 222954213 /nfs/dbraw/zinc/95/42/13/222954213.db2.gz YKSABPWCFZCXQJ-FQEVSTJZSA-N 0 3 367.493 3.455 40 0 FGABHN Cc1nc(Nc2nccnc2C2CCN([C@H]3CCOC3)CC2)sc1C ZINC000257262372 223043084 /nfs/dbraw/zinc/04/30/84/223043084.db2.gz LLDSKLSXPUDJJB-HNNXBMFYSA-N 0 3 359.499 3.262 40 0 FGABHN c1cc(CN2CCC(n3cnc4ncc(-c5cccnc5)nc43)CC2)co1 ZINC000306127760 223107100 /nfs/dbraw/zinc/10/71/00/223107100.db2.gz GGSFIQUQMVETIA-UHFFFAOYSA-N 0 3 360.421 3.318 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2)cc(-c2ccncc2)n1 ZINC000328962069 223126704 /nfs/dbraw/zinc/12/67/04/223126704.db2.gz BGXKTCNLKMMEBD-UHFFFAOYSA-N 0 3 368.872 3.331 40 0 FGABHN CC(C)C[C@H](c1nnnn1C1CCCC1)N1CCN(C2CCCC2)CC1 ZINC000019446793 220257377 /nfs/dbraw/zinc/25/73/77/220257377.db2.gz AEKDRLNJOTUSGS-LJQANCHMSA-N 0 3 360.550 3.436 40 0 FGABHN CCCCn1nc(C)c(C[N@@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c1C ZINC000019502409 220263910 /nfs/dbraw/zinc/26/39/10/220263910.db2.gz LIXASGRFIQXIJR-UHFFFAOYSA-N 0 3 371.529 3.108 40 0 FGABHN CCCCn1nc(C)c(C[N@H+]2CCc3nc(C(C)C)[n-]c(=O)c3CC2)c1C ZINC000019502409 220263912 /nfs/dbraw/zinc/26/39/12/220263912.db2.gz LIXASGRFIQXIJR-UHFFFAOYSA-N 0 3 371.529 3.108 40 0 FGABHN CN(C(=O)c1ccccn1)C1CCC2(CC1)CNCc1ccccc1O2 ZINC000019586670 220278044 /nfs/dbraw/zinc/27/80/44/220278044.db2.gz JUELCTHOXXVHEX-UHFFFAOYSA-N 0 3 351.450 3.017 40 0 FGABHN COc1cccc(-c2ccc3nc([C@@H]4CCCN(C)C4)nn3c2)c1OC ZINC000306134120 533371128 /nfs/dbraw/zinc/37/11/28/533371128.db2.gz NDXBGJLOJVZUEA-OAHLLOKOSA-N 0 3 352.438 3.223 40 0 FGABHN c1coc(CN2C[C@H]3CN(c4ncccn4)CC[C@]3(c3ccccc3)C2)c1 ZINC000096083307 132218572 /nfs/dbraw/zinc/21/85/72/132218572.db2.gz BHOFFDZNVARFKO-SIKLNZKXSA-N 0 3 360.461 3.350 40 0 FGABHN COCCN1C(=O)CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096080223 132218694 /nfs/dbraw/zinc/21/86/94/132218694.db2.gz QMBJCMACIFBDSL-UHFFFAOYSA-N 0 3 354.450 3.197 40 0 FGABHN c1cc(CN2CCC3(C[C@H](OCC4CCOCC4)CO3)CC2)cs1 ZINC000096106680 222025496 /nfs/dbraw/zinc/02/54/96/222025496.db2.gz HFBNUDCTPCQQQU-SFHVURJKSA-N 0 3 351.512 3.315 40 0 FGABHN Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N4CCC(C)CC4)CC[C@H]32)s1 ZINC000096057539 222005268 /nfs/dbraw/zinc/00/52/68/222005268.db2.gz UIQOMTGXKWRFEH-GUDVDZBRSA-N 0 3 362.539 3.437 40 0 FGABHN CC(C)Nc1nc2c(cc1C(=O)N(C)C)CCN(Cc1ccccc1)CC2 ZINC000096260431 222102974 /nfs/dbraw/zinc/10/29/74/222102974.db2.gz HOZHCPYGQALDHC-UHFFFAOYSA-N 0 3 366.509 3.205 40 0 FGABHN Cn1cccc1C(=O)N1CCC2(C1)CCN(Cc1cccc(F)c1)CC2 ZINC000096157586 222058913 /nfs/dbraw/zinc/05/89/13/222058913.db2.gz IODGXDWKCFFBRI-UHFFFAOYSA-N 0 3 355.457 3.293 40 0 FGABHN c1csc(CN2CCC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)c1 ZINC000096207993 222078526 /nfs/dbraw/zinc/07/85/26/222078526.db2.gz NIDYRTVIRQRXRG-MJGOQNOKSA-N 0 3 351.512 3.315 40 0 FGABHN CCC[C@H]1[C@H]2C(=O)N(c3ccccc3OC)C(=O)C2ON1c1ccccc1 ZINC000100997769 222259792 /nfs/dbraw/zinc/25/97/92/222259792.db2.gz HUDWMABWHZFEIK-UHOSZYNNSA-N 0 3 366.417 3.174 40 0 FGABHN Cc1ccc(CN2CC[C@]3(C[C@@H](N(C)Cc4ccccn4)CO3)C2)s1 ZINC000107226808 222392298 /nfs/dbraw/zinc/39/22/98/222392298.db2.gz VPRXMYIKZUOSJM-QUCCMNQESA-N 0 3 357.523 3.317 40 0 FGABHN NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030946254 493914480 /nfs/dbraw/zinc/91/44/80/493914480.db2.gz DYWVRAKOMCKWOJ-OAHLLOKOSA-N 0 3 371.868 3.290 40 0 FGABHN NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030946256 493914762 /nfs/dbraw/zinc/91/47/62/493914762.db2.gz DYWVRAKOMCKWOJ-HNNXBMFYSA-N 0 3 371.868 3.290 40 0 FGABHN COCCOc1ccnc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)c1 ZINC000035425092 494076272 /nfs/dbraw/zinc/07/62/72/494076272.db2.gz KWADWTSQKBBZFY-INIZCTEOSA-N 0 3 360.458 3.340 40 0 biogenic,in-vitro FGABHN CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN(CCO)Cc1ccccc1)C2 ZINC000009970713 494138202 /nfs/dbraw/zinc/13/82/02/494138202.db2.gz NWYPYGCCRUVMTM-GPQLQYNLSA-N 0 3 361.526 3.073 40 0 FGABHN COc1ccccc1-c1nccnc1[C@@H]1CCCN(Cc2cnn(C)c2)C1 ZINC000072359058 494157271 /nfs/dbraw/zinc/15/72/71/494157271.db2.gz WNLDLYYYEDREKV-QGZVFWFLSA-N 0 3 363.465 3.265 40 0 FGABHN Nc1cc(-c2c[nH]nc2[C@@H]2CCN(CCOCc3ccccc3)C2)ccn1 ZINC000072370834 494159800 /nfs/dbraw/zinc/15/98/00/494159800.db2.gz OGRUSMPENHMUHG-GOSISDBHSA-N 0 3 363.465 3.060 40 0 FGABHN CC[C@@H]1CCCCN1CC(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000012147458 494209331 /nfs/dbraw/zinc/20/93/31/494209331.db2.gz VLKZUSFRWCCRDU-QGZVFWFLSA-N 0 3 352.482 3.226 40 0 FGABHN c1ccc(-c2cnc(-c3ccncc3)c(CNC[C@H]3COCCO3)c2)cc1 ZINC000012233852 494215829 /nfs/dbraw/zinc/21/58/29/494215829.db2.gz WTHKDJODOAJFIY-NRFANRHFSA-N 0 3 361.445 3.316 40 0 FGABHN Cc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccccc3)CC1)O2 ZINC000012293339 494220327 /nfs/dbraw/zinc/22/03/27/494220327.db2.gz RHBAEUWDTMCWSD-VQTJNVASSA-N 0 3 353.462 3.379 40 0 FGABHN COc1ccc(OC[C@@H](C)NCc2cnc(N3CCC(C)CC3)nc2)cc1 ZINC000019497092 494445874 /nfs/dbraw/zinc/44/58/74/494445874.db2.gz GIPXDTKLMCBXGH-QGZVFWFLSA-N 0 3 370.497 3.279 40 0 FGABHN Cc1cc(N2CCN(C)CC2)cc([C@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000019705395 494455974 /nfs/dbraw/zinc/45/59/74/494455974.db2.gz SXSJKDXSSGBFIT-IBGZPJMESA-N 0 3 370.541 3.038 40 0 FGABHN CC1(C)S[C@H](CN)N[C@H]1C(=O)OC(c1ccccc1)c1ccccc1 ZINC000022862818 494538759 /nfs/dbraw/zinc/53/87/59/494538759.db2.gz VJDBJGIOWKYECA-AEFFLSMTSA-N 0 3 356.491 3.088 40 0 FGABHN CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(OC)cc3)n2)cc1OCC ZINC000095534513 494989890 /nfs/dbraw/zinc/98/98/90/494989890.db2.gz NMFPEZYFWCGWLV-GOSISDBHSA-N 0 3 368.437 3.326 40 0 FGABHN CCN1CCn2c(C)cnc2C12CCN(Cc1ccc(OC)cc1)CC2 ZINC000096037060 494997571 /nfs/dbraw/zinc/99/75/71/494997571.db2.gz PIGHVUDLIIANPP-UHFFFAOYSA-N 0 3 354.498 3.027 40 0 FGABHN O=C(c1cccnc1)N1CCC[C@@]2(CCN(Cc3ccc(F)cc3)C2)C1 ZINC000096047046 494998081 /nfs/dbraw/zinc/99/80/81/494998081.db2.gz WJQSWWSLLPZXDX-NRFANRHFSA-N 0 3 353.441 3.349 40 0 FGABHN Fc1cccnc1OCC[C@H]1CCOC12CCN(Cc1cccnc1)CC2 ZINC000247496232 496872763 /nfs/dbraw/zinc/87/27/63/496872763.db2.gz CZTSBRIEVWIJPN-SFHVURJKSA-N 0 3 371.456 3.456 40 0 FGABHN c1ccc(CN2CCC3(CC2)OCC[C@@H]3CCOc2ccccn2)nc1 ZINC000248083258 496952475 /nfs/dbraw/zinc/95/24/75/496952475.db2.gz JLUPMUFZYOIGSU-SFHVURJKSA-N 0 3 353.466 3.317 40 0 FGABHN Cc1ccc(N2NC3(CCN(Cc4ccccc4)CC3)NC2=S)cc1 ZINC000225350136 497060750 /nfs/dbraw/zinc/06/07/50/497060750.db2.gz NTCGFDAAPKGJRQ-UHFFFAOYSA-N 0 3 352.507 3.186 40 0 FGABHN CC(C)CN1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 ZINC000585102076 507567627 /nfs/dbraw/zinc/56/76/27/507567627.db2.gz QIMCHCZMGAOITE-QGZVFWFLSA-N 0 3 355.404 3.437 40 0 FGABHN Cc1ccc(C2(C(=O)N3CCC[C@]4(CCN4C[C@@H]4CCCO4)C3)CC2)cc1 ZINC000585102052 507569170 /nfs/dbraw/zinc/56/91/70/507569170.db2.gz OPSRTHRDMXKSCO-UNMCSNQZSA-N 0 3 368.521 3.273 40 0 FGABHN Cc1ccc(OC[C@@H](O)CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 ZINC000585284980 507583741 /nfs/dbraw/zinc/58/37/41/507583741.db2.gz MRKFDYQQWHHOIB-SFHVURJKSA-N 0 3 366.461 3.395 40 0 FGABHN Cc1ccccc1O[C@@H]1CCC[C@H](NCCOc2cccc(F)c2)[C@H]1O ZINC000585288567 507585679 /nfs/dbraw/zinc/58/56/79/507585679.db2.gz DVHAFEDQYUDZJD-CEWLAPEOSA-N 0 3 359.441 3.464 40 0 FGABHN Cc1cccc(CN2CC[C@H](c3nc4ccc(-c5ccncc5)cn4n3)C2)n1 ZINC000306124242 534712115 /nfs/dbraw/zinc/71/21/15/534712115.db2.gz BKKCQDSPNFDOIA-IBGZPJMESA-N 0 3 370.460 3.484 40 0 FGABHN CCc1cc(N2CCOCC2)nc(C2=CCN(Cc3ccccc3)CC2)n1 ZINC000072339569 536146190 /nfs/dbraw/zinc/14/61/90/536146190.db2.gz KTFCGBQLFUAHIU-UHFFFAOYSA-N 0 3 364.493 3.165 40 0 FGABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 ZINC000225941165 222880235 /nfs/dbraw/zinc/88/02/35/222880235.db2.gz PQAAEYRQSZENRB-UHFFFAOYSA-N 0 3 359.857 3.346 40 0 FGABHN Cc1c[nH]c(-c2cncc(C3CCN(Cc4scnc4C)CC3)n2)n1 ZINC000257263323 223042197 /nfs/dbraw/zinc/04/21/97/223042197.db2.gz LPHWCTOQQPCJSE-UHFFFAOYSA-N 0 3 354.483 3.320 40 0 FGABHN Cc1ncsc1CN1CCC(Cc2cncc(-c3ncc[nH]3)n2)CC1 ZINC000257269832 223045852 /nfs/dbraw/zinc/04/58/52/223045852.db2.gz MROSZACXMBZYKE-UHFFFAOYSA-N 0 3 354.483 3.086 40 0 FGABHN NCc1cnn(-c2ccccc2C(=O)NCc2cccc3ccccc32)c1 ZINC000257271198 223045875 /nfs/dbraw/zinc/04/58/75/223045875.db2.gz MXHCAYHJNXFXKQ-UHFFFAOYSA-N 0 3 356.429 3.414 40 0 FGABHN Cc1ccc(C(=O)N2CCN(C)C[C@@H](Cc3cncc4ccccc43)C2)cn1 ZINC000257284052 223050081 /nfs/dbraw/zinc/05/00/81/223050081.db2.gz PBBOIBAUGAQCSB-GOSISDBHSA-N 0 3 374.488 3.185 40 0 FGABHN CN(C)CCNc1nc(Nc2ccc(Cl)cc2)cc(C(F)(F)F)n1 ZINC000329020802 223129155 /nfs/dbraw/zinc/12/91/55/223129155.db2.gz OCTHRBKPBJWUEQ-UHFFFAOYSA-N 0 3 359.783 3.288 40 0 FGABHN COc1cc2c(cc1CN1CCC(O)(Cn3ccnc3C)CC1)CCCC2 ZINC000019287964 220245857 /nfs/dbraw/zinc/24/58/57/220245857.db2.gz IUGRFACMMXODHF-UHFFFAOYSA-N 0 3 369.509 3.106 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc3c[nH]ccc-3n2)C1 ZINC000019335715 220251700 /nfs/dbraw/zinc/25/17/00/220251700.db2.gz UWZKAFLFVDFFGK-AWEZNQCLSA-N 0 3 353.397 3.487 40 0 FGABHN O=C(COc1ccc(F)cc1)N1CCC[C@H](c2cc3cnccc3[nH]2)C1 ZINC000019335715 220251702 /nfs/dbraw/zinc/25/17/02/220251702.db2.gz UWZKAFLFVDFFGK-AWEZNQCLSA-N 0 3 353.397 3.487 40 0 FGABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(N)=O)cc2)CC1 ZINC000020044723 220309609 /nfs/dbraw/zinc/30/96/09/220309609.db2.gz XASIKVILAWQDPD-UHFFFAOYSA-N 0 3 351.450 3.270 40 0 FGABHN CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccccn2)Cc2c[nH]c3cccc1c23 ZINC000049171415 221020909 /nfs/dbraw/zinc/02/09/09/221020909.db2.gz NKVLRNRDNLVPKV-PMACEKPBSA-N 0 3 362.477 3.481 40 0 biogenic,in-vitro FGABHN Cn1ccc(C(=O)N[C@H]2CCC23CCN(Cc2ccc(F)cc2)CC3)c1 ZINC000096051699 222002767 /nfs/dbraw/zinc/00/27/67/222002767.db2.gz CJUOXRNNGGGPMX-IBGZPJMESA-N 0 3 355.457 3.339 40 0 FGABHN Cc1ccc(CN2C[C@@H](C(=O)Nc3cccnc3)C[C@H]3OCC[C@H]32)s1 ZINC000096057736 222005393 /nfs/dbraw/zinc/00/53/93/222005393.db2.gz RDCRBCFHXUIXOJ-BMGDILEWSA-N 0 3 357.479 3.070 40 0 FGABHN COC[C@@H]1CC2(CN1c1ncccn1)CCN(Cc1ccsc1)CC2 ZINC000096240381 222095502 /nfs/dbraw/zinc/09/55/02/222095502.db2.gz FTUUSGFZJVHJSL-KRWDZBQOSA-N 0 3 358.511 3.046 40 0 FGABHN COCC(=O)N[C@H]1CC2(CCN(Cc3ccco3)CC2)c2ccccc21 ZINC000096241485 222097362 /nfs/dbraw/zinc/09/73/62/222097362.db2.gz OKLYXRWCZUYMHJ-IBGZPJMESA-N 0 3 354.450 3.021 40 0 FGABHN Cn1cc(CN2CCC3(CCC(CC(=O)N4CCCC4)CC3)CC2)cn1 ZINC000096159366 222058962 /nfs/dbraw/zinc/05/89/62/222058962.db2.gz VDFXKASTDKLYJT-UHFFFAOYSA-N 0 3 358.530 3.205 40 0 FGABHN c1ccc(CN2CC[C@@]3(C2)COCc2cnc(-c4cccnc4)nc23)cc1 ZINC000101150356 222263904 /nfs/dbraw/zinc/26/39/04/222263904.db2.gz SVLVBPZYBXWCGJ-JOCHJYFZSA-N 0 3 358.445 3.213 40 0 FGABHN CCc1ccccc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O ZINC000025224563 263388709 /nfs/dbraw/zinc/38/87/09/263388709.db2.gz SSCDIJLWHFYWPE-IBGZPJMESA-N 0 3 361.445 3.195 40 0 FGABHN C[C@H]1CCCCN1C[C@@H](O)COc1c(F)cc(Br)cc1F ZINC000006007989 493948580 /nfs/dbraw/zinc/94/85/80/493948580.db2.gz JUCCUWNVDDWOLY-CMPLNLGQSA-N 0 3 364.230 3.341 40 0 FGABHN COc1ccccc1[C@@]1(O)CCCN(C[C@H](O)c2ccc(C)c(C)c2)C1 ZINC000036741284 494097282 /nfs/dbraw/zinc/09/72/82/494097282.db2.gz JTCGSYDFKVFFNL-RBBKRZOGSA-N 0 3 355.478 3.329 40 0 FGABHN COc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 ZINC000038848884 494118790 /nfs/dbraw/zinc/11/87/90/494118790.db2.gz ATRAEAQJQRXOBN-SFHVURJKSA-N 0 3 356.441 3.363 40 0 FGABHN O=C(CC1C(=O)N(C2CC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964119 494125205 /nfs/dbraw/zinc/12/52/05/494125205.db2.gz HOKWACBZZPVSQS-KRWDZBQOSA-N 0 3 364.380 3.254 40 0 FGABHN O=c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392882 494161953 /nfs/dbraw/zinc/16/19/53/494161953.db2.gz HCGCSMCADAWSHO-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN O=c1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)nc(-c2ccncc2)[n-]1 ZINC000072392882 494161954 /nfs/dbraw/zinc/16/19/54/494161954.db2.gz HCGCSMCADAWSHO-KRWDZBQOSA-N 0 3 364.424 3.351 40 0 FGABHN CC(=O)NC1(c2ccc(F)cc2)CCN(C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000012188389 494212421 /nfs/dbraw/zinc/21/24/21/494212421.db2.gz XMQJTKGHYZKCSB-HXUWFJFHSA-N 0 3 374.431 3.126 40 0 FGABHN Cc1ccc(CN2CCC(C(=O)NCCN(C)c3ccccc3)CC2)cc1 ZINC000044916792 494388190 /nfs/dbraw/zinc/38/81/90/494388190.db2.gz OVCPUADGWHDYPZ-UHFFFAOYSA-N 0 3 365.521 3.460 40 0 FGABHN COc1ccc(CN2C[C@@H]3CC[C@@](O)(c4ccc(F)cc4)[C@@H]3C2)cc1O ZINC000019559696 494450124 /nfs/dbraw/zinc/45/01/24/494450124.db2.gz DRWDJBPALHWASJ-RRMPHLOHSA-N 0 3 357.425 3.270 40 0 FGABHN Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cn(C)c4ccccc34)O2)o1 ZINC000096040917 494997985 /nfs/dbraw/zinc/99/79/85/494997985.db2.gz ZBJRQPADOUOIHK-QRVBRYPASA-N 0 3 352.438 3.364 40 0 FGABHN CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c1C ZINC000223263560 497034765 /nfs/dbraw/zinc/03/47/65/497034765.db2.gz QMHSLANSMXULGU-RBUKOAKNSA-N 0 3 371.554 3.054 40 0 FGABHN Cc1ccc(OC[C@H](O)CNCc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 ZINC000585284493 507584000 /nfs/dbraw/zinc/58/40/00/507584000.db2.gz LIJHDXKPPIURTO-LJQANCHMSA-N 0 3 366.461 3.395 40 0 FGABHN CC(C)N1CCC[C@@H](c2cccc(N3CC4(CCOCC4)OC3=O)n2)C1 ZINC000257277190 529019606 /nfs/dbraw/zinc/01/96/06/529019606.db2.gz NWULEIHBSHPWDL-MRXNPFEDSA-N 0 3 359.470 3.175 40 0 FGABHN