smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNCc1c(Cl)nc2ccc(OC)cc2c1N1CCOCC1 ZINC000012186143 539548189 /nfs/dbraw/zinc/54/81/89/539548189.db2.gz VZUUETHCNOUHHD-UHFFFAOYSA-N 0 1 365.861 2.469 40 0 FEABMN COc1ccc([C@H]2c3[nH]cnc3CCN2C(=O)CCc2nc(C)no2)cc1 ZINC000019665213 539665321 /nfs/dbraw/zinc/66/53/21/539665321.db2.gz GOBJHAJBFSJGLZ-IBGZPJMESA-N 0 1 367.409 2.217 40 0 FEABMN COC(=O)c1cccc(S(=O)(=O)Nc2cc(OC)ccc2OC)c1 ZINC000024257392 539728957 /nfs/dbraw/zinc/72/89/57/539728957.db2.gz ICWGGKBJFWJOSP-UHFFFAOYSA-N 0 1 351.380 2.291 40 0 FEABMN CN(C)CC(=O)N1CCC[C@H](c2nc(N)ncc2-c2cccc(F)c2)C1 ZINC000072346180 541800413 /nfs/dbraw/zinc/80/04/13/541800413.db2.gz FUSKHGQHPXOCAZ-AWEZNQCLSA-N 0 1 357.433 2.133 40 0 FEABMN CN(C)CC(=O)N1CCC[C@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 ZINC000072346178 541800495 /nfs/dbraw/zinc/80/04/95/541800495.db2.gz BSHPIGVVULMIQH-AWEZNQCLSA-N 0 1 357.433 2.133 40 0 FEABMN CN1CCn2c(nnc2[C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072373901 541803467 /nfs/dbraw/zinc/80/34/67/541803467.db2.gz XXFSQKCEYLIISX-QGZVFWFLSA-N 0 1 364.453 2.111 40 0 FEABMN Cc1cnc(C(=O)NCc2ccc(-c3cc(CN(C)C)n(C)n3)cc2)cn1 ZINC000019239005 204673461 /nfs/dbraw/zinc/67/34/61/204673461.db2.gz RHQMITFGGYNVRT-UHFFFAOYSA-N 0 1 364.453 2.177 40 0 FEABMN NC(=O)c1ccc(OC[C@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000004475341 206176751 /nfs/dbraw/zinc/17/67/51/206176751.db2.gz HFHFPCVDUCBNLG-LJQANCHMSA-N 0 1 370.424 2.454 40 0 in-vitro FEABMN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 ZINC000218548217 206371587 /nfs/dbraw/zinc/37/15/87/206371587.db2.gz YZCITRQNVYXEPP-GVDBMIGSSA-N 0 1 351.855 2.278 40 0 FEABMN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(N)CO)cc1 ZINC000218486215 206371066 /nfs/dbraw/zinc/37/10/66/206371066.db2.gz PMOJBOQRGQXDHQ-IKGGRYGDSA-N 0 1 351.855 2.278 40 0 FEABMN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1ccccn1)C2 ZINC000096230460 132223014 /nfs/dbraw/zinc/22/30/14/132223014.db2.gz LTKZJKKEDBURKR-HXUWFJFHSA-N 0 1 354.429 2.144 40 0 FEABMN Cc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@H](C)CO)n1 ZINC000329056722 132373026 /nfs/dbraw/zinc/37/30/26/132373026.db2.gz VTZGGXQUZNESMA-CQSZACIVSA-N 0 1 356.470 2.368 40 0 FEABMN O=C(C1CCOCC1)N1C[C@@H](F)[C@@H](OCc2nc3ccc(F)cc3[nH]2)C1 ZINC000096112043 542991955 /nfs/dbraw/zinc/99/19/55/542991955.db2.gz PTLYGNZUPZWFRY-CJNGLKHVSA-N 0 1 365.380 2.194 40 0 biogenic,in-vitro FEABMN Cc1noc(C)c1CN1CCC[C@@]2(CCN(C(=O)c3ccnnc3)C2)C1 ZINC000096216010 542995964 /nfs/dbraw/zinc/99/59/64/542995964.db2.gz YVKWPBTXWLKNTF-LJQANCHMSA-N 0 1 355.442 2.210 40 0 FEABMN Cc1nc(C[C@@H]2OC[C@H]3CN(C(=O)C=Cc4cccs4)CC[C@H]32)n[nH]1 ZINC000096207399 542996053 /nfs/dbraw/zinc/99/60/53/542996053.db2.gz WILICHZALNFZRI-XFDLWOITSA-N 0 1 358.467 2.294 40 0 FEABMN Cc1nnc(C[C@@H]2OC[C@H]3CN(C(=O)C=Cc4cccs4)CC[C@H]32)[nH]1 ZINC000096207399 542996055 /nfs/dbraw/zinc/99/60/55/542996055.db2.gz WILICHZALNFZRI-XFDLWOITSA-N 0 1 358.467 2.294 40 0 FEABMN O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1 ZINC000096066317 542989853 /nfs/dbraw/zinc/98/98/53/542989853.db2.gz KAVQVIZSVGXKCO-QGTPRVQTSA-N 0 1 357.479 2.439 40 0 FEABMN COc1ccc(CN2CCOC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000096062507 542990161 /nfs/dbraw/zinc/99/01/61/542990161.db2.gz KPOXHPLOKUFXOT-FQEVSTJZSA-N 0 1 354.454 2.214 40 0 FEABMN CCCCNS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000223876567 548725132 /nfs/dbraw/zinc/72/51/32/548725132.db2.gz GUMPWWURZQWCLS-UHFFFAOYSA-N 0 1 354.457 2.177 40 0 FEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCC2=CCCCC2)s1 ZINC000223949928 548725909 /nfs/dbraw/zinc/72/59/09/548725909.db2.gz SVIYTVJTMGUVJV-UHFFFAOYSA-N 0 1 358.489 2.301 40 0 FEABMN CC(C)CNS(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1 ZINC000224043816 548726218 /nfs/dbraw/zinc/72/62/18/548726218.db2.gz SPIGTMLXTBMPCF-UHFFFAOYSA-N 0 1 374.875 2.378 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)s1 ZINC000225459488 548734885 /nfs/dbraw/zinc/73/48/85/548734885.db2.gz FFSAUPSBSGKTTJ-SNVBAGLBSA-N 0 1 354.457 2.235 40 0 FEABMN CCC(CC)C(=O)N1CCN2[C@H](CN(Cc3ccccc3)C[C@@]2(C)CO)C1 ZINC000253399496 549686530 /nfs/dbraw/zinc/68/65/30/549686530.db2.gz JMSQTGKBGXBCJH-IRLDBZIGSA-N 0 1 373.541 2.202 40 0 biogenic,in-vitro FEABMN CN(C)C(=O)[C@]1(C)C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257224588 549719249 /nfs/dbraw/zinc/71/92/49/549719249.db2.gz FCKWISQEMXYJGH-FQEVSTJZSA-N 0 1 372.421 2.324 40 0 FEABMN CN(C)C(=O)[C@]1(C)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCO1 ZINC000257224588 549719251 /nfs/dbraw/zinc/71/92/51/549719251.db2.gz FCKWISQEMXYJGH-FQEVSTJZSA-N 0 1 372.421 2.324 40 0 FEABMN CN1CCN(C(=O)c2cncnc2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000257256812 549722127 /nfs/dbraw/zinc/72/21/27/549722127.db2.gz KNABAFVJTSILPN-MRXNPFEDSA-N 0 1 361.449 2.271 40 0 FEABMN COCc1ccc(C(=O)N2CCO[C@H](CCc3ccnc(N)c3)C2)cc1 ZINC000257301751 549725324 /nfs/dbraw/zinc/72/53/24/549725324.db2.gz RZVABVPVBIRDAE-GOSISDBHSA-N 0 1 355.438 2.284 40 0 FEABMN COc1ccccc1[C@H]1Cn2c(C)cnc2CN1C(=O)CN1CCCC1 ZINC000257310045 549726130 /nfs/dbraw/zinc/72/61/30/549726130.db2.gz UDLPPFOIJJFBLP-QGZVFWFLSA-N 0 1 354.454 2.379 40 0 FEABMN C[C@]1(C(N)=O)C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257303524 549726739 /nfs/dbraw/zinc/72/67/39/549726739.db2.gz SHOUXEGEYGXHQX-HXUWFJFHSA-N 0 1 354.406 2.128 40 0 FEABMN CN1CCN(C(=O)c2ccnnc2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257315373 549727257 /nfs/dbraw/zinc/72/72/57/549727257.db2.gz VBBLOQLFVZMQDA-INIZCTEOSA-N 0 1 361.449 2.271 40 0 FEABMN O=C(NC1CCCCC1)c1cnc(NS(=O)(=O)c2ccccc2)nc1 ZINC000408535097 558686211 /nfs/dbraw/zinc/68/62/11/558686211.db2.gz XUUXBOITINNXDT-UHFFFAOYSA-N 0 1 360.439 2.340 40 0 FEABMN COc1ccc([C@@H](C(=N)NO)N2CC(N(C)C(=O)OC(C)(C)C)C2)cc1 ZINC000409439282 558690761 /nfs/dbraw/zinc/69/07/61/558690761.db2.gz GLYSISZJXBFDEQ-HNNXBMFYSA-N 0 1 364.446 2.243 40 0 FEABMN CC(C)(C)CCN1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1COCCN12 ZINC000604381772 568286899 /nfs/dbraw/zinc/28/68/99/568286899.db2.gz NUVAFIYYZPATLR-LJQANCHMSA-N 0 1 371.525 2.334 40 0 biogenic,in-vitro FEABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 ZINC000585280403 570492143 /nfs/dbraw/zinc/49/21/43/570492143.db2.gz HSWZHSLKEXKOAL-OCCSQVGLSA-N 0 1 353.344 2.494 40 0 FEABMN O=C(/C=C/c1ccco1)N1CCC[C@H]1c1nccnc1Nc1ncccn1 ZINC000585292533 571129570 /nfs/dbraw/zinc/12/95/70/571129570.db2.gz ODJZWQZKKZFXLM-LFAOLKIESA-N 0 1 362.393 2.980 40 0 FEABMN Cc1ccsc1CN1Cc2cccn2C[C@@H](CCNS(C)(=O)=O)C1 ZINC000585095099 571219772 /nfs/dbraw/zinc/21/97/72/571219772.db2.gz FRTJRGMOJDSUOA-HNNXBMFYSA-N 0 1 367.540 2.429 40 0 FEABMN CCN1CCN(c2nc(CSc3nc4ccccc4o3)cc(=O)[nH]2)CC1 ZINC000013639766 539589740 /nfs/dbraw/zinc/58/97/40/539589740.db2.gz CPQQQQIEMSYPFS-UHFFFAOYSA-N 0 1 371.466 2.345 40 0 FEABMN CC(=O)N1CCc2nc([C@H]3CCCN(Cc4ccccn4)C3)ncc2C1 ZINC000019018417 539650566 /nfs/dbraw/zinc/65/05/66/539650566.db2.gz MGYKYQHYYIUXKX-INIZCTEOSA-N 0 1 351.454 2.156 40 0 FEABMN C[C@@H]1CN(CC(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)C[C@@H](C)O1 ZINC000019497451 539658378 /nfs/dbraw/zinc/65/83/78/539658378.db2.gz YSTNBDSYUCVTHX-GPMSIDNRSA-N 0 1 363.477 2.188 40 0 FEABMN COc1ccc(CN2CCN(c3ncc4c(n3)CCOC4)CC2)c(C)c1C ZINC000019577384 539661620 /nfs/dbraw/zinc/66/16/20/539661620.db2.gz BLTRLBHDZYMXGL-UHFFFAOYSA-N 0 1 368.481 2.497 40 0 FEABMN Cn1cc(NC(=O)CN2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)cn1 ZINC000019715502 539667064 /nfs/dbraw/zinc/66/70/64/539667064.db2.gz KAIYJOWMNMWRQR-CYBMUJFWSA-N 0 1 370.432 2.329 40 0 FEABMN CSc1ncc(N2CCCC2)c(NS(=O)(=O)c2ccc(N)cc2)n1 ZINC000004543158 204146004 /nfs/dbraw/zinc/14/60/04/204146004.db2.gz JNXVPVLZBBULKM-UHFFFAOYSA-N 0 1 365.484 2.182 40 0 FEABMN NC(=O)c1ccc(OC[C@@H](O)CN2CC=C(c3ccc(F)cc3)CC2)cc1 ZINC000004475340 206176409 /nfs/dbraw/zinc/17/64/09/206176409.db2.gz HFHFPCVDUCBNLG-IBGZPJMESA-N 0 1 370.424 2.454 40 0 in-vitro FEABMN CN(C)CC[N@@H+](C)CC[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CC(=O)[O-] ZINC000020462923 206331550 /nfs/dbraw/zinc/33/15/50/206331550.db2.gz MRLFRHFSIOSYRC-IRXDYDNUSA-N 0 1 369.550 2.246 40 0 biogenic,in-vitro FEABMN CN(CC[C@H]1CN(C(=O)CC(C)(C)C)CC[C@H]1CC(=O)[O-])CC[NH+](C)C ZINC000020462923 206331554 /nfs/dbraw/zinc/33/15/54/206331554.db2.gz MRLFRHFSIOSYRC-IRXDYDNUSA-N 0 1 369.550 2.246 40 0 biogenic,in-vitro FEABMN Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 ZINC000218548060 206372317 /nfs/dbraw/zinc/37/23/17/206372317.db2.gz YZCITRQNVYXEPP-YESZJQIVSA-N 0 1 351.855 2.278 40 0 FEABMN Cn1cc(CN2CCC(c3nc4ccc(N5CCCC5)cn4n3)CC2)cn1 ZINC000096038268 542987999 /nfs/dbraw/zinc/98/79/99/542987999.db2.gz KLRCZULQTKLGGD-UHFFFAOYSA-N 0 1 365.485 2.443 40 0 FEABMN O=C(C[C@@H]1OC[C@H]2CN(Cc3nccs3)CC[C@H]21)Nc1cccnc1 ZINC000096206618 542994970 /nfs/dbraw/zinc/99/49/70/542994970.db2.gz PHVABDMWGMLSKR-BMFZPTHFSA-N 0 1 358.467 2.404 40 0 FEABMN Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@@H]4CCCO4)=NO3)C2)cc1C ZINC000096074519 542989954 /nfs/dbraw/zinc/98/99/54/542989954.db2.gz RWMWZYUBRKBXMG-GHTZIAJQSA-N 0 1 371.481 2.319 40 0 FEABMN CN1CCN(c2ccc3ccc(C(=O)NCCc4ccncc4)cn32)CC1 ZINC000096062767 542990207 /nfs/dbraw/zinc/99/02/07/542990207.db2.gz JMUUETUMYDDSAN-UHFFFAOYSA-N 0 1 363.465 2.059 40 0 FEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccc(Cl)cc2)s1 ZINC000223829072 548725092 /nfs/dbraw/zinc/72/50/92/548725092.db2.gz LXJDCUXIDOPVMC-UHFFFAOYSA-N 0 1 374.875 2.061 40 0 FEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1 ZINC000225655856 548740106 /nfs/dbraw/zinc/74/01/06/548740106.db2.gz SAOGBXFRJWGGNE-UHFFFAOYSA-N 0 1 358.420 2.463 40 0 FEABMN Cc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C ZINC000247935198 549393581 /nfs/dbraw/zinc/39/35/81/549393581.db2.gz RWMWZYUBRKBXMG-WIYYLYMNSA-N 0 1 371.481 2.319 40 0 FEABMN Cc1ccc(CN2CC[C@@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C ZINC000247935198 549393585 /nfs/dbraw/zinc/39/35/85/549393585.db2.gz RWMWZYUBRKBXMG-WIYYLYMNSA-N 0 1 371.481 2.319 40 0 FEABMN Cc1ccsc1C(=O)N1CC2(C1)CC[C@H](CN1CCOCC1)CO2 ZINC000253598903 549697704 /nfs/dbraw/zinc/69/77/04/549697704.db2.gz VZYNGXHVLYNYOR-OAHLLOKOSA-N 0 1 350.484 2.010 40 0 FEABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CC[N@H+](C)Cc2ccccn2)C1 ZINC000257199791 549716974 /nfs/dbraw/zinc/71/69/74/549716974.db2.gz AAVIZHPSLKFIEF-KRWDZBQOSA-N 0 1 355.486 2.416 40 0 FEABMN Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)CCN(C)Cc2ccccn2)C1 ZINC000257199791 549716977 /nfs/dbraw/zinc/71/69/77/549716977.db2.gz AAVIZHPSLKFIEF-KRWDZBQOSA-N 0 1 355.486 2.416 40 0 FEABMN CN1CCN(C(=O)c2cnco2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257204246 549717841 /nfs/dbraw/zinc/71/78/41/549717841.db2.gz ATRUKEPQPDLJOU-OAHLLOKOSA-N 0 1 350.422 2.469 40 0 FEABMN O=C(c1cccc([C@@H]2CCCN(Cc3cncs3)C2)n1)N1CCOCC1 ZINC000257228654 549720009 /nfs/dbraw/zinc/72/00/09/549720009.db2.gz FUSREPSNCIHKTD-OAHLLOKOSA-N 0 1 372.494 2.390 40 0 FEABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000257253860 549721873 /nfs/dbraw/zinc/72/18/73/549721873.db2.gz KANXGVAAOFYPFP-ZDUSSCGKSA-N 0 1 351.410 2.050 40 0 FEABMN CN(C)Cc1ccc([C@H]2CCCN2C(=O)c2ccc3n[nH]nc3c2)nc1 ZINC000257264788 549722849 /nfs/dbraw/zinc/72/28/49/549722849.db2.gz LWAKHNXLHHKHCU-GOSISDBHSA-N 0 1 350.426 2.392 40 0 FEABMN O=C([O-])c1ccc(C[N@H+]2CCOC[C@@H](Cc3ccc4nccn4n3)C2)cc1 ZINC000257294295 549724993 /nfs/dbraw/zinc/72/49/93/549724993.db2.gz QTLLPQVYYZLQMM-INIZCTEOSA-N 0 1 366.421 2.119 40 0 FEABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 ZINC000257290520 549725173 /nfs/dbraw/zinc/72/51/73/549725173.db2.gz QDHBPIDDUABVBI-HNNXBMFYSA-N 0 1 350.426 2.394 40 0 FEABMN CN(C)Cc1cn(-c2ccccc2C(=O)NC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000257294523 549725698 /nfs/dbraw/zinc/72/56/98/549725698.db2.gz QUNWIXAHHSFMBD-KRWDZBQOSA-N 0 1 355.486 2.148 40 0 FEABMN c1ncc(C[N@@H+]2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)[nH]1 ZINC000257312531 549726290 /nfs/dbraw/zinc/72/62/90/549726290.db2.gz UOKAJHDCEGUEGC-AWEZNQCLSA-N 0 1 350.430 2.188 40 0 FEABMN c1nc(C[N@H+]2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)c[nH]1 ZINC000257312531 549726294 /nfs/dbraw/zinc/72/62/94/549726294.db2.gz UOKAJHDCEGUEGC-AWEZNQCLSA-N 0 1 350.430 2.188 40 0 FEABMN c1nc(CN2CCC[C@@H](Cc3cc(Nc4cnccn4)ncn3)C2)c[nH]1 ZINC000257312531 549726305 /nfs/dbraw/zinc/72/63/05/549726305.db2.gz UOKAJHDCEGUEGC-AWEZNQCLSA-N 0 1 350.430 2.188 40 0 FEABMN O=C(c1ccccc1)N1C[C@@H]2COCCN2C2(CN(C3CCCCC3)C2)C1 ZINC000604381224 568286715 /nfs/dbraw/zinc/28/67/15/568286715.db2.gz GBRMFHWGWRCICN-HXUWFJFHSA-N 0 1 369.509 2.230 40 0 biogenic,in-vitro FEABMN CC(C)CCN1CC2(C1)CN(C(=O)Nc1ccccc1)C[C@@H]1COCCN12 ZINC000604381288 568286786 /nfs/dbraw/zinc/28/67/86/568286786.db2.gz GRERFZZQNIYTDZ-LJQANCHMSA-N 0 1 372.513 2.335 40 0 biogenic,in-vitro FEABMN Cc1cc(C)cc(O[C@H]2CN(Cc3ccc(OCCO)cc3)C[C@@H]2O)c1 ZINC000585267817 570482551 /nfs/dbraw/zinc/48/25/51/570482551.db2.gz GFEPFLDICFGQQK-SFTDATJTSA-N 0 1 357.450 2.299 40 0 FEABMN CC(C)c1cc(N2CCc3cc([C@@H](C)O)ccc3C2)nc(N[C@@H](C)CO)n1 ZINC000328996033 571130279 /nfs/dbraw/zinc/13/02/79/571130279.db2.gz JKCNYZHSBWADOO-LSDHHAIUSA-N 0 1 370.497 3.009 40 0 FEABMN COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](C[N@H+]3CCC(C)C)C2)c1 ZINC000585107987 571225110 /nfs/dbraw/zinc/22/51/10/571225110.db2.gz QHMAYYIEARWFPT-QAPCUYQASA-N 0 1 352.500 2.436 40 0 FEABMN CC(C)(C(=O)N1CCC[C@H](c2n[nH]c(=O)o2)C1)c1ccc2c(c1)OCCO2 ZINC000578888631 571281319 /nfs/dbraw/zinc/28/13/19/571281319.db2.gz IPFBFIWPLZGHQV-LBPRGKRZSA-N 0 1 373.409 2.230 40 0 FEABMN CCn1cc([C@H](O)CN2CCN(c3cnccn3)CC2)c2ccccc21 ZINC000019524778 539660120 /nfs/dbraw/zinc/66/01/20/539660120.db2.gz MBLVZEWLGYXLIY-LJQANCHMSA-N 0 1 351.454 2.307 40 0 FEABMN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3c(OC)cccc3OC)C2)n1 ZINC000019594299 539663377 /nfs/dbraw/zinc/66/33/77/539663377.db2.gz DQGUCSOZQDSADR-CQSZACIVSA-N 0 1 373.453 2.313 40 0 FEABMN CC(=O)N1CCC[C@@H](c2nnc3n2CCN(Cc2ccc(F)cc2)CC3)C1 ZINC000019709524 539665990 /nfs/dbraw/zinc/66/59/90/539665990.db2.gz AJWJFDTXFYYQOS-QGZVFWFLSA-N 0 1 371.460 2.201 40 0 FEABMN Cc1ncc(CN2CCC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cn1 ZINC000072392999 541803986 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Cc1cccc(CN2CC[C@]3(C2)CN(S(C)(=O)=O)c2cccnc23)c1 ZINC000306140610 553750855 /nfs/dbraw/zinc/75/08/55/553750855.db2.gz UYUSTCCNVWRFOD-IBGZPJMESA-N 0 1 357.479 2.313 40 0 FEABMN Cn1cccc1C(=O)N1CC2(C1)C[C@H](COc1ncccc1F)CCN2C ZINC000306141784 553751438 /nfs/dbraw/zinc/75/14/38/553751438.db2.gz WGJYFGKTCDCHCQ-OAHLLOKOSA-N 0 1 372.444 2.175 40 0 FEABMN COc1ccc2c(c1)CCN(c1cc(C(C)C)nc(NCCCO)n1)C2 ZINC000329028469 571133863 /nfs/dbraw/zinc/13/38/63/571133863.db2.gz PUWWKSJLJOOJQK-UHFFFAOYSA-N 0 1 356.470 2.966 40 0 FEABMN Cc1cc(CN2Cc3ccnn3CC[C@H]2COc2ncccc2F)n[nH]1 ZINC000585097061 571221068 /nfs/dbraw/zinc/22/10/68/571221068.db2.gz HBJXEOKEBUKKIW-INIZCTEOSA-N 0 1 356.405 2.302 40 0 FEABMN CCCNC(=O)C1=NO[C@]2(C1)CCCN(Cc1ncc(C(F)(F)F)[nH]1)C2 ZINC000585101066 571222445 /nfs/dbraw/zinc/22/24/45/571222445.db2.gz AUYZTTWCGZFPKN-HNNXBMFYSA-N 0 1 373.379 2.066 40 0 FEABMN Cc1cccnc1C1(O)[C@@H]2CCC[C@H]1CN(Cc1cnc(N(C)C)nc1)C2 ZINC000012135233 539546196 /nfs/dbraw/zinc/54/61/96/539546196.db2.gz 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ZINC000072372840 541802373 /nfs/dbraw/zinc/80/23/73/541802373.db2.gz SKDXWQURXBPUMX-SFHVURJKSA-N 0 1 367.497 2.337 40 0 FEABMN CCOc1cc(OCC)c(/C=C2/NC(=O)NC2=O)cc1Br ZINC000004526102 204144340 /nfs/dbraw/zinc/14/43/40/204144340.db2.gz BUOATCAHYIPCGH-UXBLZVDNSA-N 0 1 355.188 2.427 40 0 FEABMN N[C@@]1(CO)[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641671 206371622 /nfs/dbraw/zinc/37/16/22/206371622.db2.gz VMUCPUKAESXWIB-JYJNAYRXSA-N 0 1 355.818 2.109 40 0 FEABMN CN(Cc1ccccn1)[C@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158701 132221231 /nfs/dbraw/zinc/22/12/31/132221231.db2.gz QQQSPFLMZCIYJG-QGZVFWFLSA-N 0 1 357.433 2.271 40 0 FEABMN O=C(NCc1ccccn1)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 ZINC000096042840 542988142 /nfs/dbraw/zinc/98/81/42/542988142.db2.gz GAFVJIFFIFCVNT-CGTJXYLNSA-N 0 1 357.479 2.439 40 0 FEABMN Cn1ccnc1CN1CCC2(CC1)CCN(C(=O)c1cccnc1)CC2 ZINC000096158440 542994210 /nfs/dbraw/zinc/99/42/10/542994210.db2.gz AXLZWBNVZNMRNQ-UHFFFAOYSA-N 0 1 353.470 2.334 40 0 FEABMN O=C([O-])[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096185224 542995003 /nfs/dbraw/zinc/99/50/03/542995003.db2.gz HHXWZZPWPSMQAN-KSSFIOAISA-N 0 1 358.467 2.341 40 0 FEABMN COc1ncccc1CN1CC[C@]2(C1)C[C@@H](Nc1ncccn1)CCO2 ZINC000096206399 542995053 /nfs/dbraw/zinc/99/50/53/542995053.db2.gz BHZOEJJCNKBDSR-QFBILLFUSA-N 0 1 355.442 2.116 40 0 FEABMN Cc1cc(CN2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)Nc3cccnc3)C2)no1 ZINC000096207548 542996226 /nfs/dbraw/zinc/99/62/26/542996226.db2.gz PIJWZPNVUDTUNS-ZTFGCOKTSA-N 0 1 356.426 2.244 40 0 FEABMN CS(=O)(=O)N1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000096241350 542997092 /nfs/dbraw/zinc/99/70/92/542997092.db2.gz PWEZSAOPGZZUOM-UHFFFAOYSA-N 0 1 357.479 2.395 40 0 FEABMN CC(C)N1CCOC[C@]2(CN(C(=O)c3ccc4ccccc4n3)CCO2)C1 ZINC000096076585 542990104 /nfs/dbraw/zinc/99/01/04/542990104.db2.gz GIJMLZBQPJWZPW-OAQYLSRUSA-N 0 1 369.465 2.187 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccccc2C)s1 ZINC000223001979 548714839 /nfs/dbraw/zinc/71/48/39/548714839.db2.gz IUPRZLCTSREFET-JTQLQIEISA-N 0 1 354.457 2.235 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2)s1 ZINC000224393173 548728648 /nfs/dbraw/zinc/72/86/48/548728648.db2.gz WRCWBUIXEODRDE-UHFFFAOYSA-N 0 1 360.848 2.019 40 0 FEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2CCCCC2)s1 ZINC000225206429 548731589 /nfs/dbraw/zinc/73/15/89/548731589.db2.gz VHOZMQLRJOSEAU-UHFFFAOYSA-N 0 1 360.505 2.381 40 0 FEABMN CN(C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 ZINC000257203267 549717568 /nfs/dbraw/zinc/71/75/68/549717568.db2.gz APGZKYSZRZEVHT-MRXNPFEDSA-N 0 1 352.504 2.338 40 0 FEABMN COc1ccccc1CC(=O)N1CCO[C@H](CCc2ccnc(N)c2)C1 ZINC000257274392 549722756 /nfs/dbraw/zinc/72/27/56/549722756.db2.gz NKXBITVSDABAJF-QGZVFWFLSA-N 0 1 355.438 2.075 40 0 FEABMN CCc1cc(C(=O)N2CCC(Cc3cnc(CN(C)C)cn3)CC2)on1 ZINC000257304016 549726543 /nfs/dbraw/zinc/72/65/43/549726543.db2.gz SJSQINOGTJMJPM-UHFFFAOYSA-N 0 1 357.458 2.184 40 0 FEABMN Cc1cc(Cc2ccccc2)cc([C@H]2CN(C(=O)CN(C)C)CCO2)n1 ZINC000257328047 549728851 /nfs/dbraw/zinc/72/88/51/549728851.db2.gz XDWRMZKGSAWNKL-HXUWFJFHSA-N 0 1 353.466 2.442 40 0 FEABMN Cc1nc(C(=O)NC[C@@H]2CO[C@@H]3CN(Cc4cccc(C)n4)C[C@H]23)cs1 ZINC000306141194 553750674 /nfs/dbraw/zinc/75/06/74/553750674.db2.gz VOBHBADLSYCZAN-QGPMSJSTSA-N 0 1 372.494 2.032 40 0 FEABMN O=C([O-])c1cccc(C[N@@H+]2CCO[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000585275835 570488410 /nfs/dbraw/zinc/48/84/10/570488410.db2.gz AIUUVOVWPPDYNF-HXUWFJFHSA-N 0 1 359.397 2.330 40 0 FEABMN O=C([O-])c1cccc(C[N@H+]2CCO[C@](CO)(Cc3ccc(F)cc3)C2)c1 ZINC000585275835 570488414 /nfs/dbraw/zinc/48/84/14/570488414.db2.gz AIUUVOVWPPDYNF-HXUWFJFHSA-N 0 1 359.397 2.330 40 0 FEABMN CN1CCC[C@H](NC(=O)CCCn2cncn2)[C@@H]1Cc1cccc(F)c1 ZINC000585280698 570492137 /nfs/dbraw/zinc/49/21/37/570492137.db2.gz NKLBGCHCOJYNQD-ROUUACIJSA-N 0 1 359.449 2.019 40 0 FEABMN O=C1NC(=O)c2cc(S(=O)(=O)c3ccccc3O)cc3cccc1c32 ZINC000685937125 571318964 /nfs/dbraw/zinc/31/89/64/571318964.db2.gz JSYLFNGUCIVHJM-UHFFFAOYSA-N 0 1 353.355 2.262 40 0 FEABMN O=C(c1n[nH]c2c1CCCC2)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 ZINC000019292254 539655325 /nfs/dbraw/zinc/65/53/25/539655325.db2.gz RSHSURJBEFSGAG-KRWDZBQOSA-N 0 1 366.469 2.092 40 0 FEABMN CN(C)Cc1cc(-c2ccccc2F)nn1CCNC(=O)[C@@H]1CCCO1 ZINC000019583430 539661672 /nfs/dbraw/zinc/66/16/72/539661672.db2.gz UIXOYDCTHMEINU-SFHVURJKSA-N 0 1 360.433 2.046 40 0 FEABMN CN(Cc1ccccn1)[C@H]1CO[C@@]2(C1)CCCN(Cc1nccn1C)C2 ZINC000107228876 209274942 /nfs/dbraw/zinc/27/49/42/209274942.db2.gz NJAGUJZWYQEFOL-UYAOXDASSA-N 0 1 355.486 2.071 40 0 FEABMN O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000102614359 209237778 /nfs/dbraw/zinc/23/77/78/209237778.db2.gz DNEIWPBFXZVYKF-ZGXWSNOMSA-N 0 1 368.477 2.286 40 0 FEABMN O=C(c1ccn[nH]1)N1Cc2[nH]c3cc(-c4ccc(F)cc4)nn3c(=O)c2C1 ZINC000100215596 209210027 /nfs/dbraw/zinc/21/00/27/209210027.db2.gz HDCQBCVWZCCVAN-UHFFFAOYSA-N 0 1 364.340 2.120 40 0 FEABMN Cc1cccc(CN2CCC[C@]3(C2)COCCN(c2nncs2)C3)n1 ZINC000096229252 209140735 /nfs/dbraw/zinc/14/07/35/209140735.db2.gz YUCXBHRCWWGJIC-GOSISDBHSA-N 0 1 359.499 2.361 40 0 FEABMN Fc1ccccc1OC[C@H]1CO[C@@H]2CN(c3ncnc4[nH]cnc43)C[C@H]12 ZINC000096218557 209138172 /nfs/dbraw/zinc/13/81/72/209138172.db2.gz YEZZKSNBAWONJB-YWPYICTPSA-N 0 1 355.373 2.022 40 0 FEABMN COc1ncccc1CN1C[C@@H]2COC[C@]2(Cc2nnc(C3CC3)o2)C1 ZINC000096215215 209136749 /nfs/dbraw/zinc/13/67/49/209136749.db2.gz DAFHHTIZCWBHIT-BEFAXECRSA-N 0 1 356.426 2.042 40 0 FEABMN O=C([O-])[C@@]12C[N@@H+](Cc3ccco3)C[C@@H]1CN(Cc1ccccn1)CCC2 ZINC000096185210 209131242 /nfs/dbraw/zinc/13/12/42/209131242.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 0 1 355.438 2.473 40 0 FEABMN O=C([O-])[C@@]12CN(Cc3ccco3)C[C@@H]1C[N@H+](Cc1ccccn1)CCC2 ZINC000096185210 209131253 /nfs/dbraw/zinc/13/12/53/209131253.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 0 1 355.438 2.473 40 0 FEABMN O=C([O-])[C@@]12CN(Cc3ccco3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096185210 209131255 /nfs/dbraw/zinc/13/12/55/209131255.db2.gz FWNXCXDNWIIQAR-JXFKEZNVSA-N 0 1 355.438 2.473 40 0 FEABMN CSc1ncc(Br)c(Sc2nc(N)nc3[nH]cnc32)n1 ZINC000008615338 207239176 /nfs/dbraw/zinc/23/91/76/207239176.db2.gz OOYRDBYHTIMSRB-UHFFFAOYSA-N 0 1 370.261 2.361 40 0 FEABMN Cn1c2ccc(CN3CCC(O)(c4ccccc4F)CC3)cc2n(C)c1=O ZINC000012240575 207351628 /nfs/dbraw/zinc/35/16/28/207351628.db2.gz AAXSYJJKUFSTSE-UHFFFAOYSA-N 0 1 369.440 2.500 40 0 FEABMN COc1cc2c(cc1OC)[C@@]1(Cc3ccc4c(c3[C@@H]1O)OCO4)N(C)CC2 ZINC000030726897 208004499 /nfs/dbraw/zinc/00/44/99/208004499.db2.gz QDNMFIYGVRUVCE-LEWJYISDSA-N 0 1 369.417 2.405 40 0 biogenic,in-vitro FEABMN CC(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2Cl)s1 ZINC000223097889 548716076 /nfs/dbraw/zinc/71/60/76/548716076.db2.gz SZWLFTRGTQGYFA-UHFFFAOYSA-N 0 1 374.875 2.061 40 0 FEABMN COc1ccc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)c(OC)c1 ZINC000223271374 548718520 /nfs/dbraw/zinc/71/85/20/548718520.db2.gz ZSOOTIDXNNVLFL-UHFFFAOYSA-N 0 1 364.423 2.487 40 0 FEABMN CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)NC)ccc2OC)cc1 ZINC000223638317 548722119 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549728007 /nfs/dbraw/zinc/72/80/07/549728007.db2.gz UVSXCRBQSRMULB-OAHLLOKOSA-N 0 1 360.845 2.259 40 0 FEABMN O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)c1ccncc1 ZINC000306131897 553749646 /nfs/dbraw/zinc/74/96/46/553749646.db2.gz KSFORJWGZYBXSC-YQVWRLOYSA-N 0 1 355.413 2.098 40 0 FEABMN O=C(c1ncccn1)N1CC2(C1)C[C@@H](COCC1CC1)CCN2CC1CC1 ZINC000306132041 553749875 /nfs/dbraw/zinc/74/98/75/553749875.db2.gz KWHUPRBUOFXJFR-SFHVURJKSA-N 0 1 370.497 2.220 40 0 FEABMN Cc1noc(C)c1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccccc3)[C@H]2C1 ZINC000306136577 553750391 /nfs/dbraw/zinc/75/03/91/553750391.db2.gz PXJMKYDVXHYJGB-BHIYHBOVSA-N 0 1 355.438 2.168 40 0 FEABMN Cc1ccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)s1 ZINC000306141307 553750504 /nfs/dbraw/zinc/75/05/04/553750504.db2.gz VREJLQUQXXZLPS-QGZVFWFLSA-N 0 1 363.508 2.375 40 0 FEABMN CN1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 ZINC000306145084 553751524 /nfs/dbraw/zinc/75/15/24/553751524.db2.gz ZXLCQSUBUZSMSD-INIZCTEOSA-N 0 1 367.449 2.403 40 0 FEABMN COCCN1CC[C@]12CCCN(C(=O)c1ccc(NC(=O)C3CC3)cc1)C2 ZINC000585102077 571222210 /nfs/dbraw/zinc/22/22/10/571222210.db2.gz QIMZHGZNEDNKKM-NRFANRHFSA-N 0 1 371.481 2.362 40 0 FEABMN O=C(CN1CCC[C@H](c2ncncc2-c2ccncc2)C1)N1CCCC1 ZINC000012118514 539545023 /nfs/dbraw/zinc/54/50/23/539545023.db2.gz UNJBHUIGUPOGKS-KRWDZBQOSA-N 0 1 351.454 2.340 40 0 FEABMN COc1ccccc1CN1C[C@H]2OC[C@H](CNC(=O)c3ccco3)[C@H]2C1 ZINC000306143760 210056770 /nfs/dbraw/zinc/05/67/70/210056770.db2.gz YLLZDHLQHJBZSA-FRQCXROJSA-N 0 1 356.422 2.165 40 0 FEABMN CN(C)Cc1ccnc([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1 ZINC000257216812 223022949 /nfs/dbraw/zinc/02/29/49/223022949.db2.gz CWEDRBINMQLUNM-IBGZPJMESA-N 0 1 356.470 2.246 40 0 FEABMN CCOc1cccc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000055652091 540667783 /nfs/dbraw/zinc/66/77/83/540667783.db2.gz HCJCTYGQKOSWSQ-UHFFFAOYSA-N 0 1 355.437 2.290 40 0 FEABMN COc1ncc(CN2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 ZINC000257290891 223053073 /nfs/dbraw/zinc/05/30/73/223053073.db2.gz 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COCc1ccccc1CNC(=O)[C@H]1CN(c2ccc(F)cc2)CCN1 ZINC000257259584 132295958 /nfs/dbraw/zinc/29/59/58/132295958.db2.gz KYZIWEXTQUJYEX-LJQANCHMSA-N 0 1 357.429 2.067 40 0 FEABMN O=C([C@@H]1CN(c2ccc(F)cc2)CCN1)N(Cc1ccccn1)C1CC1 ZINC000257270691 132296102 /nfs/dbraw/zinc/29/61/02/132296102.db2.gz MVGOZYNTRCMEQL-IBGZPJMESA-N 0 1 354.429 2.190 40 0 FEABMN O[C@H](COCCOc1ccc(F)cc1)CN1CCN(c2ccccc2)CC1 ZINC000041690288 132300939 /nfs/dbraw/zinc/30/09/39/132300939.db2.gz XFVIVPGPOZQALZ-FQEVSTJZSA-N 0 1 374.456 2.404 40 0 FEABMN COC(=O)c1ccc2c(c1)CCN(c1cc(NCCO)nc(C(C)C)n1)C2 ZINC000328993752 132372229 /nfs/dbraw/zinc/37/22/29/132372229.db2.gz JBCCOLKZXAWWOD-UHFFFAOYSA-N 0 1 370.453 2.354 40 0 FEABMN O=C(c1ccn[nH]1)N1CCC(c2cc(C(F)(F)F)nc3nccn32)CC1 ZINC000257294344 534679018 /nfs/dbraw/zinc/67/90/18/534679018.db2.gz QTRSJRDINMZPIQ-UHFFFAOYSA-N 0 1 364.331 2.491 40 0 FEABMN CC[C@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1 ZINC000223012832 548714449 /nfs/dbraw/zinc/71/44/49/548714449.db2.gz 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O=C([O-])c1ccccc1C[N@H+]1CCO[C@@](CO)(Cc2ccccc2F)C1 ZINC000585279474 570490297 /nfs/dbraw/zinc/49/02/97/570490297.db2.gz ZMCKOQBNCKBMJW-FQEVSTJZSA-N 0 1 359.397 2.330 40 0 FEABMN CCC1(N2CCOCC2)CCN(C(=O)Nc2cc(C)cc(C(N)=O)c2)CC1 ZINC000626577601 571145715 /nfs/dbraw/zinc/14/57/15/571145715.db2.gz DSJIRKDJHQJFIS-UHFFFAOYSA-N 0 1 374.485 2.203 40 0 FEABMN Cc1occc1C(=O)N1CC2(C1)C[C@H](COCc1ccncc1)CN2C ZINC000585093846 571220135 /nfs/dbraw/zinc/22/01/35/571220135.db2.gz JLEYNXYRDPSPBG-KRWDZBQOSA-N 0 1 355.438 2.346 40 0 FEABMN CCC(=O)Nc1cc(NC(=O)CSc2nc(N)cc(N)n2)ccc1C ZINC000004171047 539378698 /nfs/dbraw/zinc/37/86/98/539378698.db2.gz UYKZFEGVRUNKKM-UHFFFAOYSA-N 0 1 360.443 2.029 40 0 FEABMN CNC(=O)c1sc2nccnc2c1[C@H]1CCN(Cc2cccnc2)C1 ZINC000257274306 529954652 /nfs/dbraw/zinc/95/46/52/529954652.db2.gz NKKVIVLCSFQPLL-ZDUSSCGKSA-N 0 1 353.451 2.435 40 0 FEABMN Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000005598875 539414135 /nfs/dbraw/zinc/41/41/35/539414135.db2.gz TXYTWTQKFAGQTG-UHFFFAOYSA-N 0 1 369.406 2.112 40 0 FEABMN COc1ccc(C2(C(=O)NCCc3nc(-c4ccncc4)n[nH]3)CC2)cc1 ZINC000012114869 539543863 /nfs/dbraw/zinc/54/38/63/539543863.db2.gz WXTZKBUKGIVYQI-UHFFFAOYSA-N 0 1 363.421 2.266 40 0 FEABMN Cc1cccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)c1 ZINC000306140611 210058617 /nfs/dbraw/zinc/05/86/17/210058617.db2.gz UYUSTCCNVWRFOD-LJQANCHMSA-N 0 1 357.479 2.313 40 0 FEABMN Cc1ncsc1C[N@H+]1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC000306139953 210055518 /nfs/dbraw/zinc/05/55/18/210055518.db2.gz UFDLKTMUDONVGS-RBSFLKMASA-N 0 1 363.508 2.390 40 0 FEABMN Cc1ncsc1CN1C[C@H]2OC[C@@H](CNC(=O)c3ccsc3)[C@H]2C1 ZINC000306139953 210055523 /nfs/dbraw/zinc/05/55/23/210055523.db2.gz UFDLKTMUDONVGS-RBSFLKMASA-N 0 1 363.508 2.390 40 0 FEABMN COCCOc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cn1 ZINC000035425445 539982164 /nfs/dbraw/zinc/98/21/64/539982164.db2.gz PIFURWDNLIXETB-INIZCTEOSA-N 0 1 374.441 2.473 40 0 biogenic,in-vitro FEABMN COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)ccn1 ZINC000035424814 539982706 /nfs/dbraw/zinc/98/27/06/539982706.db2.gz ODQPOVLBOUYNRA-INIZCTEOSA-N 0 1 374.441 2.473 40 0 biogenic,in-vitro FEABMN Cc1c(NC(=O)CN2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cnn1C ZINC000036752067 539994329 /nfs/dbraw/zinc/99/43/29/539994329.db2.gz BHYUMCIYLQAAHW-HNNXBMFYSA-N 0 1 366.469 2.498 40 0 FEABMN O=C(c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n[nH]1)N1CCOCC1 ZINC000072380542 541803181 /nfs/dbraw/zinc/80/31/81/541803181.db2.gz WIMZZYSZFDPBSV-MRXNPFEDSA-N 0 1 374.485 2.168 40 0 FEABMN CC(=O)N1CCC[C@H]1c1nnc2n1CCN(Cc1ccc(F)cc1)CC2 ZINC000019706487 211247470 /nfs/dbraw/zinc/24/74/70/211247470.db2.gz VDGPNJOSHISFKW-KRWDZBQOSA-N 0 1 357.433 2.159 40 0 FEABMN CC1CCN(C(=O)CN2CC[C@@H](c3cc(=O)n4c(n3)CCCCC4)C2)CC1 ZINC000019496706 211226912 /nfs/dbraw/zinc/22/69/12/211226912.db2.gz ZQRZZVYWADRKND-QGZVFWFLSA-N 0 1 372.513 2.018 40 0 FEABMN Cc1cccc(CN2CCO[C@H]3CN(Cc4ccco4)CC[C@H]3C2=O)n1 ZINC000096107171 222026254 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CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 ZINC000247525423 549349578 /nfs/dbraw/zinc/34/95/78/549349578.db2.gz MXSHAYBCWDWOIG-RTBURBONSA-N 0 1 360.479 2.457 40 0 FEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NCCCc2ccccc2)s1 ZINC000223023706 548715524 /nfs/dbraw/zinc/71/55/24/548715524.db2.gz RGLTUXYUPJDEJK-UHFFFAOYSA-N 0 1 368.484 2.044 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@H](C)CCc2ccccc2)s1 ZINC000224077876 548727347 /nfs/dbraw/zinc/72/73/47/548727347.db2.gz HPBABRKIJJNKKH-LLVKDONJSA-N 0 1 368.484 2.186 40 0 FEABMN Cc1ccc(C(=O)N2CC3(C2)CC[C@@H](CN2CCOCC2)CO3)cc1F ZINC000248087737 549406281 /nfs/dbraw/zinc/40/62/81/549406281.db2.gz FRBJZPHQHHYLMB-INIZCTEOSA-N 0 1 362.445 2.088 40 0 FEABMN Cc1ccccc1CCC(=O)N1CC2(C1)CC[C@@H](CN1CCOCC1)CO2 ZINC000248170732 549414469 /nfs/dbraw/zinc/41/44/69/549414469.db2.gz VTAWUZIYMRLPQF-IBGZPJMESA-N 0 1 372.509 2.267 40 0 FEABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@@](O)(COc2ccccc2)C1 ZINC000585275477 570487458 /nfs/dbraw/zinc/48/74/58/570487458.db2.gz FEYFHTUVZSXBQQ-HNNXBMFYSA-N 0 1 355.316 2.085 40 0 FEABMN O=C(c1cc(C(F)(F)F)[nH]n1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 ZINC000585280404 570492160 /nfs/dbraw/zinc/49/21/60/570492160.db2.gz HSWZHSLKEXKOAL-TZMCWYRMSA-N 0 1 353.344 2.494 40 0 FEABMN OCC[N@@H+](Cc1ccncc1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O ZINC000585290014 570495574 /nfs/dbraw/zinc/49/55/74/570495574.db2.gz PSNKIERFHCXNOU-XUVXKRRUSA-N 0 1 360.429 2.376 40 0 FEABMN C[C@H]1C[C@H](O)[C@]2(C)C(CO)=CCC[C@H]2[C@]1(C)CCC1=CC(=O)O[C@@H]1O ZINC000409444145 571086042 /nfs/dbraw/zinc/08/60/42/571086042.db2.gz ANOAUERKWIARIN-QQKHYECQSA-N 0 1 350.455 2.310 40 0 FEABMN CN(C)c1cccc([C@H]2CN(C(=O)c3[nH]nc4ccccc43)CCO2)n1 ZINC000257217361 529793938 /nfs/dbraw/zinc/79/39/38/529793938.db2.gz CYPRXHHYQONEQA-MRXNPFEDSA-N 0 1 351.410 2.238 40 0 FEABMN O=C(Cc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 ZINC000003480322 539367749 /nfs/dbraw/zinc/36/77/49/539367749.db2.gz QSDGAGFYGUNKOS-UHFFFAOYSA-N 0 1 368.418 2.459 40 0 FEABMN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(OC)c1 ZINC000008477333 539487882 /nfs/dbraw/zinc/48/78/82/539487882.db2.gz ZZPVGKGMTQYTMP-GXDHUFHOSA-N 0 1 374.393 2.117 40 0 FEABMN O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306138108 210055542 /nfs/dbraw/zinc/05/55/42/210055542.db2.gz RPMBZDNEXBKSIX-KBPBESRZSA-N 0 1 371.872 2.128 40 0 FEABMN CCNC(=O)c1nnc2n1CC1(CC2)CCN(Cc2nc(C)cs2)CC1 ZINC000306135782 210053755 /nfs/dbraw/zinc/05/37/55/210053755.db2.gz PAMFVMUNIKFDNH-UHFFFAOYSA-N 0 1 374.514 2.021 40 0 FEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2cccs2)nn1C ZINC000008635424 291050799 /nfs/dbraw/zinc/05/07/99/291050799.db2.gz HWLCLXYMQRDPMN-ZNMIVQPWSA-N 0 1 374.510 2.089 40 0 biogenic,in-vitro FEABMN Cn1cc(C[N@H+]2CCC[C@@H](Cc3cc([N-]c4nncs4)ncn3)C2)cn1 ZINC000257238498 223033617 /nfs/dbraw/zinc/03/36/17/223033617.db2.gz HLFWLVRVKUENGT-ZDUSSCGKSA-N 0 1 370.486 2.260 40 0 FEABMN COc1ccc(C(=O)N2CCO[C@@H](CCc3ccnc(N)c3)C2)cc1F ZINC000257269614 223044362 /nfs/dbraw/zinc/04/43/62/223044362.db2.gz MQROPSYQKRVTEE-HNNXBMFYSA-N 0 1 359.401 2.285 40 0 FEABMN Cn1cncc1CN1CCC(Cc2cnc(Nc3cnccn3)cn2)CC1 ZINC000257303619 223057551 /nfs/dbraw/zinc/05/75/51/223057551.db2.gz SHYJBHMYJDCTTB-UHFFFAOYSA-N 0 1 364.457 2.198 40 0 FEABMN COc1ccccc1[C@@H]1Cn2c(C)cnc2CN1C(=O)CN1CCCC1 ZINC000257310044 223060918 /nfs/dbraw/zinc/06/09/18/223060918.db2.gz UDLPPFOIJJFBLP-KRWDZBQOSA-N 0 1 354.454 2.379 40 0 FEABMN CC(C)(C)OC(=O)N1CCN(Cc2nc(-c3ccc(O)cc3)n[nH]2)CC1 ZINC000064875442 541219894 /nfs/dbraw/zinc/21/98/94/541219894.db2.gz ZPCNFPVKXXQOHJ-UHFFFAOYSA-N 0 1 359.430 2.230 40 0 FEABMN CC(C)(C)OC(=O)N1CCN(Cc2n[nH]c(-c3ccc(O)cc3)n2)CC1 ZINC000064875442 541219899 /nfs/dbraw/zinc/21/98/99/541219899.db2.gz ZPCNFPVKXXQOHJ-UHFFFAOYSA-N 0 1 359.430 2.230 40 0 FEABMN CCN(CC)C(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccn[nH]2)nc1C ZINC000072345525 541800291 /nfs/dbraw/zinc/80/02/91/541800291.db2.gz CMGKXGROQYPDAP-INIZCTEOSA-N 0 1 370.457 2.358 40 0 FEABMN CC(=O)N1CCC(c2ccc(C(=O)N(C)Cc3cc(C)[nH]n3)cn2)CC1 ZINC000019708077 211247891 /nfs/dbraw/zinc/24/78/91/211247891.db2.gz BTWDBWBZLWQOCJ-UHFFFAOYSA-N 0 1 355.442 2.111 40 0 FEABMN Cc1nc2c(nnn2C[C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c(=O)[nH]1 ZINC000019286482 211212386 /nfs/dbraw/zinc/21/23/86/211212386.db2.gz UNRZOGBAKARRIM-ZDUSSCGKSA-N 0 1 374.395 2.013 40 0 FEABMN O=C(c1cc([C@H]2CCCN(Cc3ccccn3)C2)no1)N1CCC(O)CC1 ZINC000019401655 211221421 /nfs/dbraw/zinc/22/14/21/211221421.db2.gz LZOFNGXTHNDYHV-HNNXBMFYSA-N 0 1 370.453 2.046 40 0 FEABMN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CC(N)=O)cc1 ZINC000013849715 211064267 /nfs/dbraw/zinc/06/42/67/211064267.db2.gz KAAKTSQCNVESOR-UHFFFAOYSA-N 0 1 354.815 2.177 40 0 FEABMN COc1ccc2c(c1)OC(C)(C)[C@H]1C[C@@H]3CN(CC(N)=O)CC[C@@H]3O[C@H]21 ZINC000257243556 533278610 /nfs/dbraw/zinc/27/86/10/533278610.db2.gz IHNHBBMJPXIFJH-XXHPDZBISA-N 0 1 360.454 2.120 40 0 FEABMN COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H]3CN(CC(N)=O)CC[C@H]3O[C@@H]21 ZINC000257243555 533279355 /nfs/dbraw/zinc/27/93/55/533279355.db2.gz IHNHBBMJPXIFJH-GJZVTGKDSA-N 0 1 360.454 2.120 40 0 FEABMN Cc1cnc(N2CCC3(C[C@H](N(C)Cc4ccncc4)CO3)CC2)nc1 ZINC000104942391 132238512 /nfs/dbraw/zinc/23/85/12/132238512.db2.gz NLTWMFGUASSXDS-SFHVURJKSA-N 0 1 353.470 2.440 40 0 FEABMN O=S1(=O)NCC2(CCN(Cc3ccccn3)CC2)COc2ccccc21 ZINC000096037118 542988552 /nfs/dbraw/zinc/98/85/52/542988552.db2.gz NHTAGEWASPEVRD-UHFFFAOYSA-N 0 1 373.478 2.035 40 0 FEABMN Cc1ccc(CN2CCO[C@@H]3C[C@@H](COCC(=O)N(C)C)C[C@H]32)s1 ZINC000107747535 543277618 /nfs/dbraw/zinc/27/76/18/543277618.db2.gz RHUBDYCJYGVWOQ-USXIJHARSA-N 0 1 352.500 2.141 40 0 FEABMN CO[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096108578 222026954 /nfs/dbraw/zinc/02/69/54/222026954.db2.gz ZFDGZQSOKNIIEA-XUVXKRRUSA-N 0 1 351.450 2.443 40 0 FEABMN O=C(Cc1ccccn1)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC000096183555 222069544 /nfs/dbraw/zinc/06/95/44/222069544.db2.gz YPVZESIQMKKLCA-PKOBYXMFSA-N 0 1 355.413 2.127 40 0 FEABMN Cn1c2ccccc2c(O)c([C@]2(C)NNC(=O)N2c2ccccc2)c1=O ZINC000100362550 222241413 /nfs/dbraw/zinc/24/14/13/222241413.db2.gz DWCYDLOLOLBCAK-LJQANCHMSA-N 0 1 350.378 2.151 40 0 FEABMN Cc1nc(CC(=O)N2CCC[C@H](c3ccc4c(N)[nH]nc4n3)C2)cs1 ZINC000257279582 526787176 /nfs/dbraw/zinc/78/71/76/526787176.db2.gz OHHNGKCVZBBCNU-NSHDSACASA-N 0 1 356.455 2.254 40 0 FEABMN CC(=O)NCc1cnc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH]1 ZINC000257257143 526816031 /nfs/dbraw/zinc/81/60/31/526816031.db2.gz KOFLRAHKUYCHJF-CQSZACIVSA-N 0 1 351.410 2.157 40 0 FEABMN CCN1C(=O)CC[C@@H](C(=O)N2CCCN(C)CC2)[C@@H]1c1ccccc1C ZINC000257250967 528946873 /nfs/dbraw/zinc/94/68/73/528946873.db2.gz JOUGPFYKVUVKNT-QUCCMNQESA-N 0 1 357.498 2.459 40 0 FEABMN N[C@@]1(CO)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218641508 548689128 /nfs/dbraw/zinc/68/91/28/548689128.db2.gz VMUCPUKAESXWIB-PMPSAXMXSA-N 0 1 355.818 2.109 40 0 FEABMN CC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2cc(C)c(C)cc2C)s1 ZINC000223501734 548720845 /nfs/dbraw/zinc/72/08/45/548720845.db2.gz RYMIMJUPEXPFJS-NSHDSACASA-N 0 1 368.484 2.461 40 0 FEABMN CC[NH+]1CCN(c2nn(-c3ccccc3C(F)(F)F)nc2C(=O)[O-])CC1 ZINC000256047200 549710878 /nfs/dbraw/zinc/71/08/78/549710878.db2.gz LBIYZGIQHGLERL-UHFFFAOYSA-N 0 1 369.347 2.126 40 0 FEABMN O=C1C[C@]2(CN1Cc1ccccc1)COCCN(Cc1ccncc1)C2 ZINC000585104843 571224069 /nfs/dbraw/zinc/22/40/69/571224069.db2.gz UUQQVIWJKQFTGD-NRFANRHFSA-N 0 1 351.450 2.333 40 0 FEABMN Cc1cccc(C2(O)CCN(C(=O)c3cc(-c4cnn(C)c4)[nH]n3)CC2)c1 ZINC000012116950 539543778 /nfs/dbraw/zinc/54/37/78/539543778.db2.gz RVZXNVIGZFABJB-UHFFFAOYSA-N 0 1 365.437 2.242 40 0 FEABMN Cc1cccc(CN2C(=O)CCCC[C@H]3[C@H]2CCN3CC(=O)N(C)C)c1 ZINC000257244513 223034824 /nfs/dbraw/zinc/03/48/24/223034824.db2.gz ILRKATKOOKEXQG-RBUKOAKNSA-N 0 1 357.498 2.429 40 0 FEABMN O=C(NC[C@@H]1CO[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]12)c1ccncc1 ZINC000247397004 549328132 /nfs/dbraw/zinc/32/81/32/549328132.db2.gz MKKARZDJQLVSJK-BHIYHBOVSA-N 0 1 355.413 2.098 40 0 FEABMN CN(C)CC(=O)N1CCCC[C@@H]1c1nc(N)ncc1-c1ccccc1F ZINC000072377175 541802752 /nfs/dbraw/zinc/80/27/52/541802752.db2.gz OGQBCPSDDCYBBX-MRXNPFEDSA-N 0 1 357.433 2.480 40 0 FEABMN O=C(c1cc([C@@H]2CCCCN2Cc2cccnc2)n[nH]1)N1CCOCC1 ZINC000072380499 541803098 /nfs/dbraw/zinc/80/30/98/541803098.db2.gz COUIXUYZTWVOPV-SFHVURJKSA-N 0 1 355.442 2.004 40 0 FEABMN C[NH+](C)CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000013671765 220083144 /nfs/dbraw/zinc/08/31/44/220083144.db2.gz HGODWKRZPCCXKW-UHFFFAOYSA-N 0 1 361.467 2.169 40 0 FEABMN O=C([O-])C1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000018063852 220221829 /nfs/dbraw/zinc/22/18/29/220221829.db2.gz WOQHHZAMGVZBHM-ZDUSSCGKSA-N 0 1 371.220 2.422 40 0 FEABMN CCCOc1ccccc1-c1cc(C(=O)N2CCNC(=O)[C@@H]2CC)n[nH]1 ZINC000019715589 211248377 /nfs/dbraw/zinc/24/83/77/211248377.db2.gz KEYZHQUQIMGHJY-INIZCTEOSA-N 0 1 356.426 2.216 40 0 FEABMN CCc1cc(C(=O)N(C)Cc2cc(N(C)C)nc([C@H]3CCCCN3)n2)on1 ZINC000019709852 211247727 /nfs/dbraw/zinc/24/77/27/211247727.db2.gz IWGOPTLMBBPXKI-OAHLLOKOSA-N 0 1 372.473 2.180 40 0 FEABMN Cc1[nH]n(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)c1C ZINC000019577054 211236208 /nfs/dbraw/zinc/23/62/08/211236208.db2.gz FTCFFBDLNAUVKM-SFHVURJKSA-N 0 1 359.426 2.078 40 0 FEABMN CC[C@H](CN1CCN(C)CC1)NC(=O)Cc1cn(CC)c2ccccc12 ZINC000019500321 211226764 /nfs/dbraw/zinc/22/67/64/211226764.db2.gz NEOJTIAWNGULRA-GOSISDBHSA-N 0 1 356.514 2.346 40 0 FEABMN CCn1c2ccc(C3=Nc4ccccc4S(=O)(=O)N3)cc2n(CC)c1=O ZINC000019524238 220265127 /nfs/dbraw/zinc/26/51/27/220265127.db2.gz OALLBQJTNXXHJC-UHFFFAOYSA-N 0 1 370.434 2.213 40 0 FEABMN C[C@@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@H](C)O1 ZINC000020411631 220325120 /nfs/dbraw/zinc/32/51/20/220325120.db2.gz AGRFRTKLCPEWTJ-FGPBBMPLSA-N 0 1 363.498 2.381 40 0 FEABMN COc1cccc(Cc2cccc([C@H]3CN(C(=O)CN(C)C)CCO3)n2)c1 ZINC000257222537 533550368 /nfs/dbraw/zinc/55/03/68/533550368.db2.gz DTRHAAVVUMUKGM-HXUWFJFHSA-N 0 1 369.465 2.143 40 0 FEABMN CCN(CC)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341150 136144671 /nfs/dbraw/zinc/14/46/71/136144671.db2.gz WHUZAUXODDSYTD-GOSISDBHSA-N 0 1 367.453 2.240 40 0 FEABMN Cc1cccc(CN2CC[C@@H]3CN(C(=O)c4ccco4)CCO[C@@H]3C2)n1 ZINC000096249877 222100648 /nfs/dbraw/zinc/10/06/48/222100648.db2.gz UDSDIGRICXRKGY-VQIMIIECSA-N 0 1 355.438 2.346 40 0 FEABMN Cc1ccc(O[C@@H]2C[C@H]3CN(C(=O)c4cnc(C)cn4)CCN3C2)cc1 ZINC000096183519 222069800 /nfs/dbraw/zinc/06/98/00/222069800.db2.gz ASSBBPMRNSFPSX-FUHWJXTLSA-N 0 1 352.438 2.071 40 0 FEABMN Cc1noc(C)c1CN1CCC[C@]2(C1)COCCN(c1ncccn1)C2 ZINC000096229114 222089968 /nfs/dbraw/zinc/08/99/68/222089968.db2.gz PQXLHSJRCGKXLU-LJQANCHMSA-N 0 1 357.458 2.200 40 0 FEABMN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)OC)ccc1C ZINC000223797072 548725200 /nfs/dbraw/zinc/72/52/00/548725200.db2.gz QBWBBKSXJXBSFC-UHFFFAOYSA-N 0 1 363.391 2.369 40 0 FEABMN CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1 ZINC000225659752 548740043 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COC(=O)N1Cc2nnc(C)n2C2(CCN(Cc3ccsc3)CC2)C1 ZINC000306139524 210055560 /nfs/dbraw/zinc/05/55/60/210055560.db2.gz SZKQHOOTEJDROP-UHFFFAOYSA-N 0 1 361.471 2.221 40 0 FEABMN CN1CC2(CCN(Cc3ccccc3)CC2)Oc2ncccc2S1(=O)=O ZINC000306133164 210052962 /nfs/dbraw/zinc/05/29/62/210052962.db2.gz MDTWEDMEBVGIRM-UHFFFAOYSA-N 0 1 373.478 2.129 40 0 FEABMN Cn1cc(CN2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306123661 210048597 /nfs/dbraw/zinc/04/85/97/210048597.db2.gz ATHBYGPGNSNRLD-KRWDZBQOSA-N 0 1 365.485 2.443 40 0 FEABMN COCC(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000257240997 223033496 /nfs/dbraw/zinc/03/34/96/223033496.db2.gz HWEGFGLRFSXAPM-ZIAGYGMSSA-N 0 1 362.474 2.165 40 0 FEABMN C[C@@H]1CCCN(C(=O)CN2CC[C@H](c3cc(=O)n4c(n3)CCCCC4)C2)C1 ZINC000072373087 541801990 /nfs/dbraw/zinc/80/19/90/541801990.db2.gz GBBQIRFNKIROLS-SJORKVTESA-N 0 1 372.513 2.018 40 0 FEABMN CN(C)C(=O)CN1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000072378331 541802746 /nfs/dbraw/zinc/80/27/46/541802746.db2.gz GYQVLSQUHJIWCM-QGZVFWFLSA-N 0 1 360.433 2.395 40 0 FEABMN COC(=O)c1ccc2c(c1)nc1n(c2=O)CCN(Cc2ccccc2)CC1 ZINC000019592551 211239566 /nfs/dbraw/zinc/23/95/66/211239566.db2.gz BWAYWSFXKUAHHT-UHFFFAOYSA-N 0 1 363.417 2.241 40 0 FEABMN Cn1ccc(NC(=O)CN2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)n1 ZINC000019715564 211248772 /nfs/dbraw/zinc/24/87/72/211248772.db2.gz KCLSILUWRMHGCY-ZDUSSCGKSA-N 0 1 370.432 2.329 40 0 FEABMN O=C(c1cc([C@@H]2CCCN(Cc3ccccn3)C2)no1)N1CCC(O)CC1 ZINC000019401652 211222210 /nfs/dbraw/zinc/22/22/10/211222210.db2.gz LZOFNGXTHNDYHV-OAHLLOKOSA-N 0 1 370.453 2.046 40 0 FEABMN O=C([O-])[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000019372489 211218890 /nfs/dbraw/zinc/21/88/90/211218890.db2.gz TTXNJFMWXQLHFC-IRXDYDNUSA-N 0 1 363.410 2.185 40 0 FEABMN O=C([O-])[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1S(=O)(=O)c1ccc(F)cc1 ZINC000019372489 211218892 /nfs/dbraw/zinc/21/88/92/211218892.db2.gz TTXNJFMWXQLHFC-IRXDYDNUSA-N 0 1 363.410 2.185 40 0 FEABMN O=c1[n-]c(-c2cnccn2)nc2c1CC[N@H+](Cc1cc(F)ccc1F)CC2 ZINC000019293050 211213763 /nfs/dbraw/zinc/21/37/63/211213763.db2.gz BZIWTXJJZHHOPE-UHFFFAOYSA-N 0 1 369.375 2.106 40 0 FEABMN O=c1[n-]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1cc(F)ccc1F)CC2 ZINC000019293050 211213766 /nfs/dbraw/zinc/21/37/66/211213766.db2.gz BZIWTXJJZHHOPE-UHFFFAOYSA-N 0 1 369.375 2.106 40 0 FEABMN Cc1ncc2c(n1)C1(CCN(C(=O)c3cc(C(C)C)[nH]n3)CC1)OCC2 ZINC000012128956 210919407 /nfs/dbraw/zinc/91/94/07/210919407.db2.gz HFDBROCVNZRDCD-UHFFFAOYSA-N 0 1 355.442 2.336 40 0 FEABMN CN(Cc1ccncc1)[C@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000104942369 132238562 /nfs/dbraw/zinc/23/85/62/132238562.db2.gz RMBQWMCUUWQNBX-QGZVFWFLSA-N 0 1 357.433 2.271 40 0 FEABMN Cc1ccc2nc(CO[C@H]3CN(C(=O)C4CCOCC4)C[C@H]3F)[nH]c2c1 ZINC000096112077 222029103 /nfs/dbraw/zinc/02/91/03/222029103.db2.gz WDHKGJIJAZNORV-PBHICJAKSA-N 0 1 361.417 2.363 40 0 biogenic,in-vitro FEABMN CNC(=O)C[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053249 222002529 /nfs/dbraw/zinc/00/25/29/222002529.db2.gz UCKGGQNXYLOKAV-QGZVFWFLSA-N 0 1 368.481 2.457 40 0 FEABMN CNC(=O)C[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)Oc2ccccc21 ZINC000096053250 222003674 /nfs/dbraw/zinc/00/36/74/222003674.db2.gz UCKGGQNXYLOKAV-KRWDZBQOSA-N 0 1 368.481 2.457 40 0 FEABMN O=C(COC[C@H]1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1)N1CCCC1 ZINC000096082850 222016148 /nfs/dbraw/zinc/01/61/48/222016148.db2.gz IBFVRQYPWUOCOI-AABGKKOBSA-N 0 1 358.482 2.305 40 0 FEABMN CO[C@@H]1CCN(C(=O)c2ccoc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096206800 222076675 /nfs/dbraw/zinc/07/66/75/222076675.db2.gz XDBNDSNMQRUPEN-IPMKNSEASA-N 0 1 355.438 2.345 40 0 FEABMN Nc1cc(CC[C@H]2CN(C(=O)COc3ccc(F)cc3)CCO2)ccn1 ZINC000257336012 534735576 /nfs/dbraw/zinc/73/55/76/534735576.db2.gz YMUUOFTUGDLJHY-KRWDZBQOSA-N 0 1 359.401 2.042 40 0 FEABMN CN1CCN(c2ccnc(C(=O)Nc3nc4c(s3)CCCC4)c2)CC1 ZINC000085558222 536424214 /nfs/dbraw/zinc/42/42/14/536424214.db2.gz LWPFGAGMDHAOBO-UHFFFAOYSA-N 0 1 357.483 2.421 40 0 FEABMN CCC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1 ZINC000224946736 548730444 /nfs/dbraw/zinc/73/04/44/548730444.db2.gz LRUVJPCEZVLDAZ-SNVBAGLBSA-N 0 1 354.457 2.257 40 0 FEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)NC[C@H](C)c2ccccc2)s1 ZINC000225138152 548731369 /nfs/dbraw/zinc/73/13/69/548731369.db2.gz NLFUIMDAQJLHRC-NSHDSACASA-N 0 1 368.484 2.215 40 0 FEABMN N[C@]1(CO)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242688282 548886951 /nfs/dbraw/zinc/88/69/51/548886951.db2.gz VMUCPUKAESXWIB-ARFHVFGLSA-N 0 1 355.818 2.109 40 0 FEABMN O=C(COCC[C@@H]1CN(CC2CCCC2)Cc2ccnn21)N1CCCC1 ZINC000247727087 549374489 /nfs/dbraw/zinc/37/44/89/549374489.db2.gz DDQLTMOERIYIHQ-LJQANCHMSA-N 0 1 360.502 2.459 40 0 FEABMN CO[C@H]1CC[C@H](C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)CC1 ZINC000257295767 549724895 /nfs/dbraw/zinc/72/48/95/549724895.db2.gz QZTCWOCAWLBLFN-ZVZYQTTQSA-N 0 1 358.486 2.381 40 0 FEABMN OCc1nc2cc(Br)cc(I)c2[nH]1 ZINC000307019306 553751244 /nfs/dbraw/zinc/75/12/44/553751244.db2.gz YBHBZOBOOZOMAV-UHFFFAOYSA-N 0 1 352.957 2.422 40 0 FEABMN CN(C(=O)OC(C)(C)C)C1CN([C@H](C(=N)NO)c2ccccc2F)C1 ZINC000409442088 558690741 /nfs/dbraw/zinc/69/07/41/558690741.db2.gz SUJXCCRKKCVMFP-AWEZNQCLSA-N 0 1 352.410 2.374 40 0 FEABMN COc1ccc(CN2C[C@H](OC)[C@@H](CC(=O)N3CCCC3)C2)c(F)c1 ZINC000585277683 570489804 /nfs/dbraw/zinc/48/98/04/570489804.db2.gz KIFUWPBSRLXLRN-YJBOKZPZSA-N 0 1 350.434 2.294 40 0 FEABMN COCCNC(=O)C[C@@H]1Cn2cccc2CN(Cc2scnc2C)C1 ZINC000585099015 571221718 /nfs/dbraw/zinc/22/17/18/571221718.db2.gz BAVMSLIPGIMMPX-HNNXBMFYSA-N 0 1 362.499 2.038 40 0 FEABMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 ZINC000004258697 210080129 /nfs/dbraw/zinc/08/01/29/210080129.db2.gz SNVWERUQXJGYJV-UHFFFAOYSA-N 0 1 369.406 2.384 40 0 FEABMN Cc1ncc(C[N@@H+]2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)n1C ZINC000012142923 539545646 /nfs/dbraw/zinc/54/56/46/539545646.db2.gz CNLNWRDRAVXXBB-UHFFFAOYSA-N 0 1 354.458 2.333 40 0 FEABMN Cc1ncc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)n1C ZINC000012142923 539545649 /nfs/dbraw/zinc/54/56/49/539545649.db2.gz CNLNWRDRAVXXBB-UHFFFAOYSA-N 0 1 354.458 2.333 40 0 FEABMN CCN1CCN(c2nc(C)nc3c2CN(Cc2ccccc2)CC3)CC1 ZINC000012183226 539548857 /nfs/dbraw/zinc/54/88/57/539548857.db2.gz HFSMWBKOIWCNDK-UHFFFAOYSA-N 0 1 351.498 2.485 40 0 FEABMN CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306140039 210056361 /nfs/dbraw/zinc/05/63/61/210056361.db2.gz UHZNTWWLIZXWRK-HUUCEWRRSA-N 0 1 373.888 2.374 40 0 FEABMN Cc1nn(C)cc1C[N@H+]1CCc2nc3cc(C(C)(C)C)[n-]n3c(=O)c2C1 ZINC000012666921 539568840 /nfs/dbraw/zinc/56/88/40/539568840.db2.gz SNPPXXWWPLFEBS-UHFFFAOYSA-N 0 1 354.458 2.333 40 0 FEABMN Nc1ncncc1-c1noc([C@@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000035425980 539982061 /nfs/dbraw/zinc/98/20/61/539982061.db2.gz SDEBFJPYDGLDOG-AWEZNQCLSA-N 0 1 366.381 2.144 40 0 biogenic,in-vitro FEABMN Nc1ncncc1-c1noc([C@@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])cc2)n1 ZINC000035425980 539982064 /nfs/dbraw/zinc/98/20/64/539982064.db2.gz SDEBFJPYDGLDOG-AWEZNQCLSA-N 0 1 366.381 2.144 40 0 biogenic,in-vitro FEABMN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(C(=O)c2ccn[nH]2)C1 ZINC000257227519 223028108 /nfs/dbraw/zinc/02/81/08/223028108.db2.gz FPSTUUQOCNIPGK-LLVKDONJSA-N 0 1 369.450 2.351 40 0 FEABMN O=C(CN1CCCC1)N1CCO[C@@H](c2ccc(Nc3ccccn3)cn2)C1 ZINC000257213701 223021482 /nfs/dbraw/zinc/02/14/82/223021482.db2.gz CISKYNIHKBJTEM-GOSISDBHSA-N 0 1 367.453 2.216 40 0 FEABMN COc1ncc(CN2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)cn1 ZINC000257290890 223052328 /nfs/dbraw/zinc/05/23/28/223052328.db2.gz QESXGCUPNQGYDB-HNNXBMFYSA-N 0 1 352.442 2.455 40 0 FEABMN COc1ccc(CCC(=O)N2CCC[C@H]2c2nnc3n2CCN(C)C3)cc1 ZINC000072373896 541801780 /nfs/dbraw/zinc/80/17/80/541801780.db2.gz FTTWFVKNANOKQG-KRWDZBQOSA-N 0 1 369.469 2.028 40 0 FEABMN C[C@@H]1CCCCN1C(=O)CN1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373085 541802349 /nfs/dbraw/zinc/80/23/49/541802349.db2.gz ZIYLVFQQNYTHKO-SJORKVTESA-N 0 1 372.513 2.160 40 0 FEABMN O=C(c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n[nH]1)N1CCOCC1 ZINC000072380543 541802711 /nfs/dbraw/zinc/80/27/11/541802711.db2.gz WIMZZYSZFDPBSV-INIZCTEOSA-N 0 1 374.485 2.168 40 0 FEABMN O=C(c1cc([C@H]2CCCCN2Cc2cccnc2)n[nH]1)N1CCOCC1 ZINC000072380498 541802729 /nfs/dbraw/zinc/80/27/29/541802729.db2.gz COUIXUYZTWVOPV-GOSISDBHSA-N 0 1 355.442 2.004 40 0 FEABMN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccoc1)C2 ZINC000096050134 132217618 /nfs/dbraw/zinc/21/76/18/132217618.db2.gz AKOUPXIHQDLUSE-HXUWFJFHSA-N 0 1 353.422 2.119 40 0 FEABMN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(Cc1cccnc1)C2 ZINC000096238043 132223637 /nfs/dbraw/zinc/22/36/37/132223637.db2.gz NAZVJSLTTPJBIC-HXUWFJFHSA-N 0 1 354.429 2.144 40 0 FEABMN O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 ZINC000096043079 542988234 /nfs/dbraw/zinc/98/82/34/542988234.db2.gz KAVQVIZSVGXKCO-JCGIZDLHSA-N 0 1 357.479 2.439 40 0 FEABMN Cc1cccc(CN2CC3(CCN(Cc4ccccn4)CC3)OCC2=O)n1 ZINC000096062180 222009145 /nfs/dbraw/zinc/00/91/45/222009145.db2.gz 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N#CCn1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000006896907 539440882 /nfs/dbraw/zinc/44/08/82/539440882.db2.gz ZPERQHUIILTXKH-MHWRWJLKSA-N 0 1 374.356 2.420 40 0 FEABMN COc1ccc(CN2CCC(c3noc([C@@H]4CCC(=O)N4)n3)CC2)cc1 ZINC000012328591 539555279 /nfs/dbraw/zinc/55/52/79/539555279.db2.gz QJSRPALDALGDEK-INIZCTEOSA-N 0 1 356.426 2.409 40 0 FEABMN COc1ccccc1N1CCN(C[C@H](O)c2ccc3c(c2)CCO3)CC1 ZINC000019571202 539662422 /nfs/dbraw/zinc/66/24/22/539662422.db2.gz HJVWBJGDYVJFAT-IBGZPJMESA-N 0 1 354.450 2.486 40 0 FEABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(N2CCOCC2)o1 ZINC000033606745 539975420 /nfs/dbraw/zinc/97/54/20/539975420.db2.gz SHKWHOZTQOHXPP-GXDHUFHOSA-N 0 1 371.349 2.212 40 0 FEABMN CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CCCN1[C@]21c2cc(C)ccc2NC1=O ZINC000043730466 540108040 /nfs/dbraw/zinc/10/80/40/540108040.db2.gz VCHIEKONPXTXBN-GORZOVPNSA-N 0 1 367.449 2.020 40 0 FEABMN Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cc2nc3ccc(C)cc3[nH]2)[C@H]1O ZINC000257212704 223021223 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O=c1[n-]c(-c2cnccn2)nc2c1CC[N@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292989 220246021 /nfs/dbraw/zinc/24/60/21/220246021.db2.gz RRJNZOUGRHLOGF-UHFFFAOYSA-N 0 1 369.375 2.106 40 0 FEABMN O=c1[n-]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1ccc(F)c(F)c1)CC2 ZINC000019292989 220246025 /nfs/dbraw/zinc/24/60/25/220246025.db2.gz RRJNZOUGRHLOGF-UHFFFAOYSA-N 0 1 369.375 2.106 40 0 FEABMN CCCc1cc(C(=O)N2CCN(CCOc3ccc(F)cc3)CC2)n[nH]1 ZINC000019525228 220266699 /nfs/dbraw/zinc/26/66/99/220266699.db2.gz YPJHOJRTECYCCS-UHFFFAOYSA-N 0 1 360.433 2.338 40 0 FEABMN CC(C)n1c2ccccc2nc1[C@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000019715550 220287702 /nfs/dbraw/zinc/28/77/02/220287702.db2.gz UTKVKKGWIJLTMY-HNNXBMFYSA-N 0 1 369.469 2.348 40 0 FEABMN CC(=O)N1CCC(N2CCC[C@H]2c2nc(-c3ccc(F)cn3)no2)CC1 ZINC000049155340 221019039 /nfs/dbraw/zinc/01/90/39/221019039.db2.gz CBUGSMCFFYCSBS-INIZCTEOSA-N 0 1 359.405 2.419 40 0 biogenic,in-vitro FEABMN Cn1cncc1-c1nnc([C@H]2CC[N@@H+](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000049170439 221020310 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FEABMN O=C(CO)N[C@H]1CC2(CCN(Cc3ccco3)CC2)Oc2ccccc21 ZINC000096079865 222017101 /nfs/dbraw/zinc/01/71/01/222017101.db2.gz JBORAFGJOGXXAK-KRWDZBQOSA-N 0 1 356.422 2.247 40 0 FEABMN CN(C)c1ccc(C(=O)N2CCc3c(CN4CCCC4)nn(C)c3C2)cc1 ZINC000096084179 222018293 /nfs/dbraw/zinc/01/82/93/222018293.db2.gz OHMDHOCKFUPUHY-UHFFFAOYSA-N 0 1 367.497 2.280 40 0 FEABMN CCc1cnc(N2CCO[C@@H]3CN(Cc4ccccn4)CC[C@@H]3C2)nc1 ZINC000096249775 222100501 /nfs/dbraw/zinc/10/05/01/222100501.db2.gz LUCNAXNQQKGOJP-IEBWSBKVSA-N 0 1 353.470 2.161 40 0 FEABMN CO[C@@H]1CCN(C(=O)c2occc2C)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC000096218186 222082100 /nfs/dbraw/zinc/08/21/00/222082100.db2.gz KCUZRNNOBWYWSD-RCCFBDPRSA-N 0 1 355.438 2.345 40 0 FEABMN Cc1noc(C)c1CN1CCC[C@]2(CCN(S(=O)(=O)C3CC3)C2)C1 ZINC000096216092 222082826 /nfs/dbraw/zinc/08/28/26/222082826.db2.gz FFYREKFTMDSDOQ-KRWDZBQOSA-N 0 1 353.488 2.072 40 0 FEABMN CN(Cc1ccccn1)[C@@H]1CO[C@]2(C1)CCCN(Cc1nccn1C)C2 ZINC000096223482 222085890 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COc1cccc(-c2nccnc2[C@H]2CCCN(CC(=O)N(C)C)C2)c1 ZINC000072358875 541801087 /nfs/dbraw/zinc/80/10/87/541801087.db2.gz FNFAAUIDPJOOES-INIZCTEOSA-N 0 1 354.454 2.420 40 0 FEABMN CN(C)c1cc(C[C@H]2CN(C)CCN(C(=O)C3CCCCC3)C2)ncn1 ZINC000072355086 541801214 /nfs/dbraw/zinc/80/12/14/541801214.db2.gz FPAKJVSEZJWFFV-INIZCTEOSA-N 0 1 359.518 2.056 40 0 FEABMN CC(C)n1cc2c(n1)C1(CCN(Cc3ccccn3)CC1)CN(C)C2=O ZINC000306128165 203784633 /nfs/dbraw/zinc/78/46/33/203784633.db2.gz GSQLLWBMMSRZLI-UHFFFAOYSA-N 0 1 353.470 2.478 40 0 FEABMN Cc1ccc(C)c(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)c1 ZINC000001623964 204015379 /nfs/dbraw/zinc/01/53/79/204015379.db2.gz ZCTUUXXPXUVAIW-INIZCTEOSA-N 0 1 358.419 2.427 40 0 FEABMN O=C(C[C@@H]1C(=O)Nc2ccccc2S1(=O)=O)Nc1cccc(Cl)c1 ZINC000005721981 204221929 /nfs/dbraw/zinc/22/19/29/204221929.db2.gz ADNPZYGKSDNZHO-CQSZACIVSA-N 0 1 364.810 2.463 40 0 FEABMN C[C@@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@H](O)[C@@H]32)C[C@H](C)O1 ZINC000036369527 204379254 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CC(C)C(=O)N[C@@H]1CC2(CCN(CC(=O)N(C)C)CC2)c2ccccc21 ZINC000096079011 542989740 /nfs/dbraw/zinc/98/97/40/542989740.db2.gz TUWMZYUKBMFXNB-GOSISDBHSA-N 0 1 357.498 2.325 40 0 FEABMN Cc1ccc(CN2CCN(C(=O)C(C)C)C[C@@]3(CC(=O)N(C)C3)C2)s1 ZINC000097952748 543017321 /nfs/dbraw/zinc/01/73/21/543017321.db2.gz JRBSVKQHWIUGTM-LJQANCHMSA-N 0 1 363.527 2.205 40 0 FEABMN Cc1c(C[N@H+]2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)cnn1C ZINC000100752964 543026021 /nfs/dbraw/zinc/02/60/21/543026021.db2.gz PELLVAMOSHWEQH-UHFFFAOYSA-N 0 1 354.458 2.333 40 0 FEABMN CC(C)CN1CCN2[C@@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C ZINC000253396712 549685688 /nfs/dbraw/zinc/68/56/88/549685688.db2.gz DZQRXIKTSFBCCO-KRWDZBQOSA-N 0 1 365.543 2.112 40 0 biogenic,in-vitro FEABMN Cn1cc(CN2CCC(c3nccnc3Nc3cnccn3)CC2)cn1 ZINC000257215812 549718661 /nfs/dbraw/zinc/71/86/61/549718661.db2.gz CRTUVYBIOCGRKA-UHFFFAOYSA-N 0 1 350.430 2.123 40 0 FEABMN COc1cccc([C@@H]2C[C@]3(C)NC(=O)CCCC[C@@H]3N2CC(=O)N(C)C)c1 ZINC000257275208 549723801 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biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2cnc[nH]2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514289737 560031719 /nfs/dbraw/zinc/03/17/19/560031719.db2.gz OFSQPFVDPIYVIQ-KBPBESRZSA-N 0 1 353.426 2.442 40 0 biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2cnc[nH]2)C[C@@H]1Cc1nc2ccccc2[nH]1 ZINC000514289737 560031721 /nfs/dbraw/zinc/03/17/21/560031721.db2.gz OFSQPFVDPIYVIQ-KBPBESRZSA-N 0 1 353.426 2.442 40 0 biogenic,in-vitro FEABMN COc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)NC1=S ZINC000008091266 539476977 /nfs/dbraw/zinc/47/69/77/539476977.db2.gz IYZAVBRFDSGILU-ZRDIBKRKSA-N 0 1 371.418 2.186 40 0 FEABMN COCc1cc(=O)[nH]c([C@@H]2CCCN(Cc3cc(OC)ccc3OC)C2)n1 ZINC000019594305 539663271 /nfs/dbraw/zinc/66/32/71/539663271.db2.gz KUAWKAVUYYMLAD-CQSZACIVSA-N 0 1 373.453 2.313 40 0 FEABMN Nc1[nH]nc2nc([C@@H]3CCCN3CC(=O)Nc3ccccc3F)ccc12 ZINC000072374508 541802705 /nfs/dbraw/zinc/80/27/05/541802705.db2.gz PJSLZBKESRJLIC-HNNXBMFYSA-N 0 1 354.389 2.455 40 0 FEABMN 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Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)NCC(C)C)s1 ZINC000223036241 548715445 /nfs/dbraw/zinc/71/54/45/548715445.db2.gz UHJAGKYJPCPGCD-UHFFFAOYSA-N 0 1 354.457 2.033 40 0 FEABMN Cc1nnc(SCCNC(=O)c2cn3c4c(cccc4c2=O)C[C@H]3C)[nH]1 ZINC000225861676 548744998 /nfs/dbraw/zinc/74/49/98/548744998.db2.gz CHDHUODVUGYFFT-SNVBAGLBSA-N 0 1 369.450 2.067 40 0 FEABMN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(N)CO)cc1 ZINC000242614933 548886434 /nfs/dbraw/zinc/88/64/34/548886434.db2.gz PMOJBOQRGQXDHQ-GVDBMIGSSA-N 0 1 351.855 2.278 40 0 FEABMN Cc1cc(C[C@@H]2COCCN(Cc3ccc4c(c3)OCCO4)C2)ncn1 ZINC000257257854 549721759 /nfs/dbraw/zinc/72/17/59/549721759.db2.gz KRJCPRARLKTLDJ-KRWDZBQOSA-N 0 1 355.438 2.247 40 0 FEABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cccc(-n3cnnc3)c2)C1 ZINC000257310271 549726800 /nfs/dbraw/zinc/72/68/00/549726800.db2.gz UELADKSNQGZHPC-HNNXBMFYSA-N 0 1 350.426 2.394 40 0 FEABMN CN1CCN(C(=O)c2ccnnc2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257315374 549727481 /nfs/dbraw/zinc/72/74/81/549727481.db2.gz 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FEABMN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1ccc(C)o1)C2 ZINC000096050139 132217472 /nfs/dbraw/zinc/21/74/72/132217472.db2.gz HKBZXOZJRBNKCV-OAQYLSRUSA-N 0 1 367.449 2.428 40 0 FEABMN CN(Cc1ccccn1)[C@@H]1COC2(C1)CCN(c1ncc(F)cn1)CC2 ZINC000096158702 132221121 /nfs/dbraw/zinc/22/11/21/132221121.db2.gz QQQSPFLMZCIYJG-KRWDZBQOSA-N 0 1 357.433 2.271 40 0 FEABMN O=C(NCc1ccccn1)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2O1 ZINC000096041051 542988652 /nfs/dbraw/zinc/98/86/52/542988652.db2.gz KAVQVIZSVGXKCO-WBAXXEDZSA-N 0 1 357.479 2.439 40 0 FEABMN Cc1cncc(C(=O)N2C[C@@H]3CN(Cc4ccsc4)CCO[C@@H]3C2)c1 ZINC000096108217 542991812 /nfs/dbraw/zinc/99/18/12/542991812.db2.gz XARPVFLBEPRZBF-ZWKOTPCHSA-N 0 1 357.479 2.425 40 0 FEABMN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000096111896 542992003 /nfs/dbraw/zinc/99/20/03/542992003.db2.gz ZTEKBOFAUJMLSH-RDJZCZTQSA-N 0 1 352.390 2.383 40 0 biogenic,in-vitro FEABMN CN1c2ccccc2O[C@H]2C[C@@H](C1=O)[N@@H+](Cc1ccc(C(=O)[O-])cc1)C2 ZINC000096111896 542992006 /nfs/dbraw/zinc/99/20/06/542992006.db2.gz ZTEKBOFAUJMLSH-RDJZCZTQSA-N 0 1 352.390 2.383 40 0 biogenic,in-vitro FEABMN O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3ccccn3)C[C@H]2C1 ZINC000096183494 542995047 /nfs/dbraw/zinc/99/50/47/542995047.db2.gz RHNSYIHOQKDPKN-RBUKOAKNSA-N 0 1 355.413 2.336 40 0 FEABMN O=C(NCC[C@H]1CN(CC2CCOCC2)Cc2ccnn21)c1ccco1 ZINC000247471411 549338950 /nfs/dbraw/zinc/33/89/50/549338950.db2.gz FLBYPHHODZRLDE-INIZCTEOSA-N 0 1 358.442 2.080 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](CC)c2ccccc2)s1 ZINC000225380475 548732214 /nfs/dbraw/zinc/73/22/14/548732214.db2.gz TVGXOENTQBIHKA-NSHDSACASA-N 0 1 354.457 2.316 40 0 FEABMN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(N)CO)cc1 ZINC000242614931 548886978 /nfs/dbraw/zinc/88/69/78/548886978.db2.gz PMOJBOQRGQXDHQ-BRWVUGGUSA-N 0 1 351.855 2.278 40 0 FEABMN O=S(=O)(NC[C@@H]1CO[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000245482293 548932129 /nfs/dbraw/zinc/93/21/29/548932129.db2.gz 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ZINC000257269458 549723278 /nfs/dbraw/zinc/72/32/78/549723278.db2.gz MPZYDNMFFKBHJN-HNNXBMFYSA-N 0 1 350.426 2.439 40 0 FEABMN O=C(c1cnc[nH]1)N1CCC[C@H](Cc2cc(Nc3ccccn3)ncn2)C1 ZINC000257331803 549728408 /nfs/dbraw/zinc/72/84/08/549728408.db2.gz XUHPIBCASRYSFB-CQSZACIVSA-N 0 1 363.425 2.433 40 0 FEABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CO)n(C)n2)cc1OC ZINC000012602748 560213309 /nfs/dbraw/zinc/21/33/09/560213309.db2.gz RKHDRAUKISOHLZ-IMJJTQAJSA-N 0 1 357.454 2.274 40 0 biogenic,in-vitro FEABMN Cc1ccccc1C[C@]1(CO)C[N@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000585276232 570488827 /nfs/dbraw/zinc/48/88/27/570488827.db2.gz DWDBTLTTZBADIJ-OAQYLSRUSA-N 0 1 355.434 2.499 40 0 FEABMN Cc1ccccc1C[C@]1(CO)C[N@@H+](Cc2cccc(C(=O)[O-])c2)CCO1 ZINC000585276232 570488830 /nfs/dbraw/zinc/48/88/30/570488830.db2.gz DWDBTLTTZBADIJ-OAQYLSRUSA-N 0 1 355.434 2.499 40 0 FEABMN O=C([O-])c1cccc(C[N@@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 ZINC000585277137 570489238 /nfs/dbraw/zinc/48/92/38/570489238.db2.gz KKEPHESWCHIFFS-HXUWFJFHSA-N 0 1 359.397 2.330 40 0 FEABMN O=C([O-])c1cccc(C[N@H+]2CCO[C@](CO)(Cc3cccc(F)c3)C2)c1 ZINC000585277137 570489242 /nfs/dbraw/zinc/48/92/42/570489242.db2.gz KKEPHESWCHIFFS-HXUWFJFHSA-N 0 1 359.397 2.330 40 0 FEABMN COc1cccc(CN2C[C@H](OC)[C@@H](CC(=O)N3CCCC3)C2)c1F ZINC000585276954 570489454 /nfs/dbraw/zinc/48/94/54/570489454.db2.gz FAEKDPKXKDQGGQ-RDJZCZTQSA-N 0 1 350.434 2.294 40 0 FEABMN Cc1ccccc1C[C@]1(CO)C[N@@H+](Cc2ccccc2C(=O)[O-])CCO1 ZINC000585279447 570490372 /nfs/dbraw/zinc/49/03/72/570490372.db2.gz ZHBZWXCDORMHKB-OAQYLSRUSA-N 0 1 355.434 2.499 40 0 FEABMN Cc1ncc(C(=O)N2C[C@]3(CCN(CC(C)C)C3=O)CC(F)(F)C2)[nH]1 ZINC000585093453 571219480 /nfs/dbraw/zinc/21/94/80/571219480.db2.gz XMGBNFDSPOPCCM-INIZCTEOSA-N 0 1 354.401 2.074 40 0 FEABMN Cc1ccsc1CN1Cc2cccn2C[C@H](CCNS(C)(=O)=O)C1 ZINC000585095100 571219862 /nfs/dbraw/zinc/21/98/62/571219862.db2.gz FRTJRGMOJDSUOA-OAHLLOKOSA-N 0 1 367.540 2.429 40 0 FEABMN C[N@H+]1CCN(C(=O)c2cccnn2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000585182510 571238161 /nfs/dbraw/zinc/23/81/61/571238161.db2.gz UIJOUNHONNYTAG-MRXNPFEDSA-N 0 1 361.449 2.271 40 0 FEABMN CN1CCN(C(=O)c2cccnn2)C[C@H](Cc2cccc3cccnc32)C1 ZINC000585182510 571238163 /nfs/dbraw/zinc/23/81/63/571238163.db2.gz UIJOUNHONNYTAG-MRXNPFEDSA-N 0 1 361.449 2.271 40 0 FEABMN Cc1cccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3S2(=O)=O)c1C ZINC000001623954 539342864 /nfs/dbraw/zinc/34/28/64/539342864.db2.gz OMIVORHCWUVUHR-INIZCTEOSA-N 0 1 358.419 2.427 40 0 FEABMN CN1CCN(c2ccc(NC(=S)NC(=O)Cc3ccccc3)cc2)CC1 ZINC000005586209 539413094 /nfs/dbraw/zinc/41/30/94/539413094.db2.gz PQJFXHSDZIDFLY-UHFFFAOYSA-N 0 1 368.506 2.494 40 0 FEABMN CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O ZINC000008091032 539477279 /nfs/dbraw/zinc/47/72/79/539477279.db2.gz GIZKZFUMVRZMIA-ACCUITESSA-N 0 1 355.419 2.348 40 0 FEABMN CN(C)C(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008297590 539482299 /nfs/dbraw/zinc/48/22/99/539482299.db2.gz RQODQLZWDGKWKT-QRQLOZEOSA-N 0 1 359.518 2.200 40 0 biogenic,in-vitro FEABMN CCOc1ccc(-c2cc(C(=O)N(C)[C@@H]3CC[C@@H](OC)[C@@H]3O)n[nH]2)cc1 ZINC000257342633 210005693 /nfs/dbraw/zinc/00/56/93/210005693.db2.gz ZPMQTFQHFIHHFJ-KZNAEPCWSA-N 0 1 359.426 2.086 40 0 FEABMN CC(=O)N1CCc2nc(C3CCN(Cc4ccncc4)CC3)ncc2C1 ZINC000019018911 539650825 /nfs/dbraw/zinc/65/08/25/539650825.db2.gz OVYZSJLGORSRRP-UHFFFAOYSA-N 0 1 351.454 2.156 40 0 FEABMN O=C(CN1CCCCC1)N1CCO[C@@H](c2nc(-c3cccs3)no2)C1 ZINC000019344718 539656082 /nfs/dbraw/zinc/65/60/82/539656082.db2.gz FAQCJFJFKOUMAO-CYBMUJFWSA-N 0 1 362.455 2.184 40 0 FEABMN COCCNC(=O)c1cc([C@H]2CCCN(Cc3ccccc3OC)C2)no1 ZINC000019593554 539662780 /nfs/dbraw/zinc/66/27/80/539662780.db2.gz IZIMZZOHQCZWLJ-HNNXBMFYSA-N 0 1 373.453 2.439 40 0 FEABMN Cc1nc2cc(NC(=O)CN3CCC[C@H]3Cn3cccn3)ccc2n1C ZINC000019658003 539664233 /nfs/dbraw/zinc/66/42/33/539664233.db2.gz HPYNOSCAGBZUHD-INIZCTEOSA-N 0 1 352.442 2.181 40 0 FEABMN O=C(c1ccnc(N2CCCC2)c1)N1CCC(CCN2CCOCC2)CC1 ZINC000019657499 539664419 /nfs/dbraw/zinc/66/44/19/539664419.db2.gz GFQFZTBADMCCLK-UHFFFAOYSA-N 0 1 372.513 2.256 40 0 FEABMN COCC(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)c2c(N)[nH]nc2n1 ZINC000019695521 539665139 /nfs/dbraw/zinc/66/51/39/539665139.db2.gz LCTFZZXVPOOCFI-SNVBAGLBSA-N 0 1 357.336 2.259 40 0 FEABMN O=C(Nc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1)C1CC1 ZINC000036743667 539994424 /nfs/dbraw/zinc/99/44/24/539994424.db2.gz GVJILHUVVPNKJF-IBGZPJMESA-N 0 1 366.465 2.286 40 0 FEABMN COc1cc(/C=C2\NC(=O)NC2=O)cc(Br)c1OC(C)C ZINC000059396393 540864987 /nfs/dbraw/zinc/86/49/87/540864987.db2.gz WLNVTSWJDCVLRN-YHYXMXQVSA-N 0 1 355.188 2.425 40 0 FEABMN Cn1cncc1CN1CCC2(CCCN(Cc3cccnc3)C2=O)CC1 ZINC000108534423 209289502 /nfs/dbraw/zinc/28/95/02/209289502.db2.gz GDHXTKMEKTXKEV-UHFFFAOYSA-N 0 1 353.470 2.220 40 0 FEABMN O=C(c1ccc(F)cc1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC000107197894 209275952 /nfs/dbraw/zinc/27/59/52/209275952.db2.gz ZQGNQMXVMYRYIU-RBUKOAKNSA-N 0 1 355.413 2.336 40 0 FEABMN Cc1ccc(CC(=O)N2CCc3c(CN4CCCC4)nn(C)c3C2)cc1 ZINC000096255890 209145811 /nfs/dbraw/zinc/14/58/11/209145811.db2.gz XQRNCAMAPLRNON-UHFFFAOYSA-N 0 1 352.482 2.452 40 0 FEABMN Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3cccnc3)C[C@H]2C(=O)[O-])o1 ZINC000096198763 209133220 /nfs/dbraw/zinc/13/32/20/209133220.db2.gz MHLKDYCYXXXFBB-HOTGVXAUSA-N 0 1 357.410 2.173 40 0 FEABMN Cc1cc(O)c(-c2ccnc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c23)c(=O)o1 ZINC000102273506 132234804 /nfs/dbraw/zinc/23/48/04/132234804.db2.gz BEPTXFYJCPXEEL-JTQLQIEISA-N 0 1 368.393 2.189 40 0 FEABMN CC(=O)N1CCC(N2C[C@@H](F)[C@@H](OCc3nc4ccc(C)cc4[nH]3)C2)CC1 ZINC000096112297 542991919 /nfs/dbraw/zinc/99/19/19/542991919.db2.gz PQUNSWUECODTGS-APWZRJJASA-N 0 1 374.460 2.421 40 0 biogenic,in-vitro FEABMN COc1ccc2nc(CO[C@H]3CN(C(=O)c4cccnc4)C[C@H]3F)[nH]c2c1 ZINC000096112064 542991963 /nfs/dbraw/zinc/99/19/63/542991963.db2.gz RUFJARDCTCHALG-PBHICJAKSA-N 0 1 370.384 2.346 40 0 biogenic,in-vitro FEABMN CC[C@@H](C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)N1CCCCC1 ZINC000019746179 521877671 /nfs/dbraw/zinc/87/76/71/521877671.db2.gz QWIDEQWGMSXRRA-KRWDZBQOSA-N 0 1 361.490 2.145 40 0 FEABMN CN1CCN(C(=O)c2cccnn2)C[C@@H](Cc2cncc3ccccc32)C1 ZINC000257279860 523882999 /nfs/dbraw/zinc/88/29/99/523882999.db2.gz OIMGSJZRXGAPFL-INIZCTEOSA-N 0 1 361.449 2.271 40 0 FEABMN Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(N)CO)cc1 ZINC000218547985 548687438 /nfs/dbraw/zinc/68/74/38/548687438.db2.gz YZCITRQNVYXEPP-IXDOHACOSA-N 0 1 351.855 2.278 40 0 FEABMN CC(C)C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccccc2)s1 ZINC000223590467 548722046 /nfs/dbraw/zinc/72/20/46/548722046.db2.gz LAYSNOSHROPATC-SNVBAGLBSA-N 0 1 354.457 2.172 40 0 FEABMN CCC(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)s1 ZINC000223825701 548724880 /nfs/dbraw/zinc/72/48/80/548724880.db2.gz QEAGWIRYWGZRLL-QMMMGPOBSA-N 0 1 358.420 2.065 40 0 FEABMN O=C1N(CC2CC2)CCO[C@@]12CN(Cc1ccco1)C[C@@H]2c1cccnc1 ZINC000306132627 553749550 /nfs/dbraw/zinc/74/95/50/553749550.db2.gz LOBCSSATWOCYEZ-TZIWHRDSSA-N 0 1 367.449 2.282 40 0 FEABMN O=C([O-])c1cccc(C[N@@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 ZINC000585277136 570489432 /nfs/dbraw/zinc/48/94/32/570489432.db2.gz KKEPHESWCHIFFS-FQEVSTJZSA-N 0 1 359.397 2.330 40 0 FEABMN O=C([O-])c1cccc(C[N@H+]2CCO[C@@](CO)(Cc3cccc(F)c3)C2)c1 ZINC000585277136 570489435 /nfs/dbraw/zinc/48/94/35/570489435.db2.gz KKEPHESWCHIFFS-FQEVSTJZSA-N 0 1 359.397 2.330 40 0 FEABMN COc1ccc2nc(-c3ccc(N4CCN(C)CC4)cc3)[nH]c(=O)c2c1 ZINC000575449262 571174707 /nfs/dbraw/zinc/17/47/07/571174707.db2.gz WJLYJMKSCOZXJG-UHFFFAOYSA-N 0 1 350.422 2.351 40 0 FEABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCC[NH+](C)C)cc2)cc1 ZINC000002697050 539352095 /nfs/dbraw/zinc/35/20/95/539352095.db2.gz QJDAMRRAZHCFBN-UHFFFAOYSA-N 0 1 361.467 2.087 40 0 FEABMN C[C@@H]1CN(CC(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)C[C@H](C)O1 ZINC000012199277 539549403 /nfs/dbraw/zinc/54/94/03/539549403.db2.gz YSTNBDSYUCVTHX-FCEWJHQRSA-N 0 1 363.477 2.188 40 0 FEABMN Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1nccc(CN(C)C)n1 ZINC000257337012 210002442 /nfs/dbraw/zinc/00/24/42/210002442.db2.gz YQZFBTPKPFJLIO-KRWDZBQOSA-N 0 1 357.458 2.439 40 0 FEABMN Cc1ccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)cc1Cl ZINC000019214409 539652196 /nfs/dbraw/zinc/65/21/96/539652196.db2.gz IVRGLVBQTOAEGU-UHFFFAOYSA-N 0 1 371.934 2.049 40 0 FEABMN Cc1ncsc1C(=O)N(C)Cc1cc(N(C)C)nc([C@H]2CCCCN2)n1 ZINC000019709884 539666142 /nfs/dbraw/zinc/66/61/42/539666142.db2.gz UKMYFODLBONFMQ-CQSZACIVSA-N 0 1 374.514 2.394 40 0 FEABMN CC(C)n1c2ccccc2nc1[C@@H]1CCCN(CC(=O)N2CCNC2=O)C1 ZINC000019715549 539667183 /nfs/dbraw/zinc/66/71/83/539667183.db2.gz UTKVKKGWIJLTMY-OAHLLOKOSA-N 0 1 369.469 2.348 40 0 FEABMN CNc1nc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc2c1CNCC2 ZINC000019711502 539667245 /nfs/dbraw/zinc/66/72/45/539667245.db2.gz ZNQOLIOWPMWFCZ-OAHLLOKOSA-N 0 1 357.502 2.450 40 0 FEABMN CCN1CCN(C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)CC1 ZINC000022870443 539701857 /nfs/dbraw/zinc/70/18/57/539701857.db2.gz SCZRCVYAWGCTDO-INIZCTEOSA-N 0 1 350.503 2.370 40 0 FEABMN CCn1cc([C@@H](O)CN2CCN(c3ncccn3)CC2)c2ccccc21 ZINC000036741334 539993289 /nfs/dbraw/zinc/99/32/89/539993289.db2.gz KKAODIQHVQABKE-IBGZPJMESA-N 0 1 351.454 2.307 40 0 FEABMN CN(C)C(=O)COC[C@@H]1CCC[C@]12CN(Cc1cccs1)CCO2 ZINC000096160898 209127232 /nfs/dbraw/zinc/12/72/32/209127232.db2.gz IDUSFBRRCPFZHY-YJBOKZPZSA-N 0 1 352.500 2.224 40 0 FEABMN Cc1cccc(CN[C@H]2CCOC[C@@]23CC(C(=O)N2CCCCC2)=NO3)c1 ZINC000306142667 206672051 /nfs/dbraw/zinc/67/20/51/206672051.db2.gz XFWFXUMUMGJSBN-FPOVZHCZSA-N 0 1 371.481 2.401 40 0 FEABMN Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])CC2)cc1 ZINC000006725598 207157502 /nfs/dbraw/zinc/15/75/02/207157502.db2.gz JUGLFZZRRPEIIX-XWSJACJDSA-N 0 1 356.466 2.386 40 0 FEABMN COc1ccc(CN2C(=O)CO[C@H]3CN(Cc4ccccc4)C[C@H]32)cc1 ZINC000067897204 207261427 /nfs/dbraw/zinc/26/14/27/207261427.db2.gz KAHTWLLHEPWUDE-UXHICEINSA-N 0 1 352.434 2.307 40 0 biogenic,in-vitro FEABMN O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccccn1 ZINC000067897152 207262771 /nfs/dbraw/zinc/26/27/71/207262771.db2.gz IKCLITWZIWKTAE-UXHICEINSA-N 0 1 362.433 2.175 40 0 biogenic,in-vitro FEABMN COc1cccc([C@@H]2CN(C(=O)CN3CCCC3)C[C@H]2c2csnn2)c1 ZINC000012163076 207344799 /nfs/dbraw/zinc/34/47/99/207344799.db2.gz XBMCKDYYCBVTKB-DLBZAZTESA-N 0 1 372.494 2.352 40 0 FEABMN COc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3[C@H]2C)cc1 ZINC000096062018 209104871 /nfs/dbraw/zinc/10/48/71/209104871.db2.gz STXOHHPMTBNZTL-QGZVFWFLSA-N 0 1 369.513 2.216 40 0 FEABMN Cc1cccc(CN2CC3(CCN(Cc4ccoc4)CC3)OCC2=O)n1 ZINC000096062175 209104485 /nfs/dbraw/zinc/10/44/85/209104485.db2.gz SQLWXIDGMUHSDA-UHFFFAOYSA-N 0 1 355.438 2.377 40 0 FEABMN CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CCN(Cc1ccoc1)C2 ZINC000096050476 209102332 /nfs/dbraw/zinc/10/23/32/209102332.db2.gz RLJOCZYQVNBDDK-GOSISDBHSA-N 0 1 359.451 2.181 40 0 FEABMN CN1CCN(C(=O)c2cccnn2)C[C@H](Cc2cncc3ccccc32)C1 ZINC000257279861 523882461 /nfs/dbraw/zinc/88/24/61/523882461.db2.gz OIMGSJZRXGAPFL-MRXNPFEDSA-N 0 1 361.449 2.271 40 0 FEABMN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC000096230459 536330992 /nfs/dbraw/zinc/33/09/92/536330992.db2.gz LTKZJKKEDBURKR-FQEVSTJZSA-N 0 1 354.429 2.144 40 0 FEABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)NCC(C)C)s2)cc1 ZINC000223171422 548716607 /nfs/dbraw/zinc/71/66/07/548716607.db2.gz XUZQYBHMOYPDGQ-UHFFFAOYSA-N 0 1 354.457 2.033 40 0 FEABMN CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)NCC2=CCCCC2)s1 ZINC000225102094 548730722 /nfs/dbraw/zinc/73/07/22/548730722.db2.gz DIHQSGNMZIKYQE-UHFFFAOYSA-N 0 1 358.489 2.301 40 0 FEABMN CC[C@@H](C)NS(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1 ZINC000225105630 548731924 /nfs/dbraw/zinc/73/19/24/548731924.db2.gz WCKPGJDTZGQOKJ-SNVBAGLBSA-N 0 1 354.457 2.176 40 0 FEABMN Cc1ccc(C[N@H+]2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C ZINC000247935195 549392932 /nfs/dbraw/zinc/39/29/32/549392932.db2.gz RWMWZYUBRKBXMG-NQIIRXRSSA-N 0 1 371.481 2.319 40 0 FEABMN Cc1ccc(CN2CC[C@]3(CC(C(=O)NC[C@H]4CCCO4)=NO3)C2)cc1C ZINC000247935195 549392935 /nfs/dbraw/zinc/39/29/35/549392935.db2.gz RWMWZYUBRKBXMG-NQIIRXRSSA-N 0 1 371.481 2.319 40 0 FEABMN COc1ccc(CN2C[C@@H]3CN(C(=O)NC(C)C)CCN3C(C)(C)C2)cc1 ZINC000253401570 549686467 /nfs/dbraw/zinc/68/64/67/549686467.db2.gz NHPKYLDTKDRAKD-GOSISDBHSA-N 0 1 374.529 2.394 40 0 biogenic,in-vitro FEABMN Cn1cnc(C(=O)N2CCN(C)C[C@H](Cc3cncc4ccccc43)C2)c1 ZINC000257257940 549721660 /nfs/dbraw/zinc/72/16/60/549721660.db2.gz KRSGFPITHKZTDT-INIZCTEOSA-N 0 1 363.465 2.215 40 0 FEABMN CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)ccn1 ZINC000257269459 549723226 /nfs/dbraw/zinc/72/32/26/549723226.db2.gz MPZYDNMFFKBHJN-OAHLLOKOSA-N 0 1 350.426 2.439 40 0 FEABMN Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cc3nc(C)cc(C)n3n2)C1 ZINC000257312493 549726779 /nfs/dbraw/zinc/72/67/79/549726779.db2.gz UOEXLNNRJCVCHU-HNNXBMFYSA-N 0 1 352.442 2.473 40 0 FEABMN Cc1cc(Cc2ccccc2)cc([C@@H]2CN(C(=O)CN(C)C)CCO2)n1 ZINC000257328046 549728926 /nfs/dbraw/zinc/72/89/26/549728926.db2.gz XDWRMZKGSAWNKL-FQEVSTJZSA-N 0 1 353.466 2.442 40 0 FEABMN CN1CC2(CCN(Cc3cccnc3)CC2)c2nn(CC3CC3)cc2C1=O ZINC000306123709 553748200 /nfs/dbraw/zinc/74/82/00/553748200.db2.gz AUIDFRXTYARXPE-UHFFFAOYSA-N 0 1 365.481 2.308 40 0 FEABMN O=C(NC[C@H]1CO[C@@H]2CN(Cc3ccccc3F)C[C@H]12)C1CC(F)(F)C1 ZINC000306128244 553748882 /nfs/dbraw/zinc/74/88/82/553748882.db2.gz GVBOJYNJOKNULC-ZMSDIMECSA-N 0 1 368.399 2.434 40 0 FEABMN CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2OC)ccc1C ZINC000408601311 558687880 /nfs/dbraw/zinc/68/78/80/558687880.db2.gz FKHLZOMHOOQMRE-UHFFFAOYSA-N 0 1 364.423 2.173 40 0 FEABMN Cc1ccc(NC(=O)COc2ccccc2/C=C2/NC(=O)NC2=O)cc1 ZINC000409049356 570716287 /nfs/dbraw/zinc/71/62/87/570716287.db2.gz WIAMEYBRRZQEMQ-XNTDXEJSSA-N 0 1 351.362 2.193 40 0 FEABMN O=C(c1occc1Br)N1CCC(n2ncc3c2CNC3)CC1 ZINC000643843549 571097541 /nfs/dbraw/zinc/09/75/41/571097541.db2.gz GVXGUYLOHFBXCV-UHFFFAOYSA-N 0 1 365.231 2.319 40 0 FEABMN O=S(=O)(NCC[C@@H]1CCOC12CN(CC1CCC1)C2)c1ccccc1 ZINC000585103542 571223749 /nfs/dbraw/zinc/22/37/49/571223749.db2.gz XQBQSUKEJXGPFD-QGZVFWFLSA-N 0 1 364.511 2.246 40 0 FEABMN O=C([O-])C1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000009926965 539509463 /nfs/dbraw/zinc/50/94/63/539509463.db2.gz WOQHHZAMGVZBHM-CYBMUJFWSA-N 0 1 371.220 2.422 40 0 FEABMN O=c1[n-]c(N2CCCC2)nc2c1C[N@H+](Cc1cccc3cccnc31)CC2 ZINC000013266808 539584843 /nfs/dbraw/zinc/58/48/43/539584843.db2.gz MPNIPRQSOQXIOT-UHFFFAOYSA-N 0 1 361.449 2.477 40 0 FEABMN O=c1[n-]c(N2CCCC2)nc2c1C[N@@H+](Cc1cccc3cccnc31)CC2 ZINC000013266808 539584845 /nfs/dbraw/zinc/58/48/45/539584845.db2.gz MPNIPRQSOQXIOT-UHFFFAOYSA-N 0 1 361.449 2.477 40 0 FEABMN O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013320887 539586071 /nfs/dbraw/zinc/58/60/71/539586071.db2.gz TVIBHIQPSDGCPZ-RDGPPVDQSA-N 0 1 356.466 2.120 40 0 FEABMN O=C(CN1CCCCC1)N1CCC[C@@H](Cc2cncc(-c3ncc[nH]3)n2)C1 ZINC000257329895 210000838 /nfs/dbraw/zinc/00/08/38/210000838.db2.gz XLYQCNPGYCEIGC-INIZCTEOSA-N 0 1 368.485 2.134 40 0 FEABMN CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccncc4)C3)ncc2C1 ZINC000019018429 539650357 /nfs/dbraw/zinc/65/03/57/539650357.db2.gz JPYPWZCGUIPGGD-QGZVFWFLSA-N 0 1 351.454 2.156 40 0 FEABMN CC(=O)N1CCc2nc(C3CCN(Cc4cccnc4)CC3)ncc2C1 ZINC000019018903 539650638 /nfs/dbraw/zinc/65/06/38/539650638.db2.gz PVFPJCDUFIMXIF-UHFFFAOYSA-N 0 1 351.454 2.156 40 0 FEABMN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@@H]4CCCCN4)ncc3C2)n1 ZINC000019237968 539653805 /nfs/dbraw/zinc/65/38/05/539653805.db2.gz CBJFFKYUPHXGFA-KSSFIOAISA-N 0 1 368.485 2.017 40 0 FEABMN Cc1ccn(C[C@H](C)C(=O)N2CCc3nc([C@H]4CCCCN4)ncc3C2)n1 ZINC000019237973 539654098 /nfs/dbraw/zinc/65/40/98/539654098.db2.gz CBJFFKYUPHXGFA-KBXCAEBGSA-N 0 1 368.485 2.017 40 0 FEABMN CCN1CCN([C@@H](c2nnnn2Cc2ccco2)c2ccc(C)cc2)CC1 ZINC000019527995 539659870 /nfs/dbraw/zinc/65/98/70/539659870.db2.gz IGADOZVKFOWJGL-LJQANCHMSA-N 0 1 366.469 2.350 40 0 FEABMN O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc(-n2ccnc2)cc1 ZINC000019657993 539664638 /nfs/dbraw/zinc/66/46/38/539664638.db2.gz REOYDLOKTGHXRQ-SFHVURJKSA-N 0 1 350.426 2.172 40 0 FEABMN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc3c(n2)C[C@H](C)CC3=O)cc1 ZINC000020633946 539676680 /nfs/dbraw/zinc/67/66/80/539676680.db2.gz CIINUWVGALOTOR-JTQLQIEISA-N 0 1 374.422 2.001 40 0 FEABMN COc1cccc(CCNC(=O)CC2CCN(Cc3ccnn3C)CC2)c1 ZINC000019748406 539669293 /nfs/dbraw/zinc/66/92/93/539669293.db2.gz ONHSRQQFQBPBEY-UHFFFAOYSA-N 0 1 370.497 2.390 40 0 FEABMN COCC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2)nn1C ZINC000008635320 291050761 /nfs/dbraw/zinc/05/07/61/291050761.db2.gz YBNLVKICNQATIO-KSZLIROESA-N 0 1 368.481 2.028 40 0 biogenic,in-vitro FEABMN Cc1cccc(CN2CCC[C@@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)n1 ZINC000107228831 209276399 /nfs/dbraw/zinc/27/63/99/209276399.db2.gz JBUUJDJXCWRWSU-UYAOXDASSA-N 0 1 353.470 2.440 40 0 FEABMN Cn1c2ccccc2c(O)c([C@@]2(C)NNC(=O)N2c2ccccc2)c1=O ZINC000100362546 209213938 /nfs/dbraw/zinc/21/39/38/209213938.db2.gz DWCYDLOLOLBCAK-IBGZPJMESA-N 0 1 350.378 2.151 40 0 FEABMN CCCOC(=O)C[C@@]1(C(=O)OC)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccccc1 ZINC000072340273 541800682 /nfs/dbraw/zinc/80/06/82/541800682.db2.gz COZUFLOYBXVAFN-WWMYMODYSA-N 0 1 373.449 2.495 40 0 FEABMN COc1ncccc1CN1C[C@@H]2COC[C@]2(COCc2ccccn2)C1 ZINC000096206864 209134634 /nfs/dbraw/zinc/13/46/34/209134634.db2.gz GAPVURSLXZXSHM-XLIONFOSSA-N 0 1 355.438 2.150 40 0 FEABMN Cc1cnc(C(=O)N2CC[C@]3(C2)CCCN(Cc2ccccn2)C3)cn1 ZINC000096158063 209125574 /nfs/dbraw/zinc/12/55/74/209125574.db2.gz JFMGDCKTRWTTOP-HXUWFJFHSA-N 0 1 351.454 2.308 40 0 FEABMN O=C1[C@@H]2CCN(Cc3ccc(F)cc3)C[C@@H]2OCCN1c1cccnc1 ZINC000096107134 209112882 /nfs/dbraw/zinc/11/28/82/209112882.db2.gz MJBACVLZJKNPRW-MOPGFXCFSA-N 0 1 355.413 2.475 40 0 FEABMN Cc1nc2nn(Cc3ccccc3)cc2c(=O)n1CCN1CCCCC1 ZINC000006320402 207137428 /nfs/dbraw/zinc/13/74/28/207137428.db2.gz BRBFIPYILKHQHI-UHFFFAOYSA-N 0 1 351.454 2.436 40 0 FEABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(C(=O)NC)c1 ZINC000010008775 207292069 /nfs/dbraw/zinc/29/20/69/207292069.db2.gz 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ZINC000257224589 549718606 /nfs/dbraw/zinc/71/86/06/549718606.db2.gz FCKWISQEMXYJGH-HXUWFJFHSA-N 0 1 372.421 2.324 40 0 FEABMN COc1ccc(CC(=O)NCc2cnc(C)nc2[C@@H]2CCCN2C)cc1 ZINC000257297811 549725242 /nfs/dbraw/zinc/72/52/42/549725242.db2.gz RIWMFQRQWUWIDF-SFHVURJKSA-N 0 1 354.454 2.419 40 0 FEABMN Cc1cncc(C2CCN(C(=O)CCN(C)Cc3ccccn3)CC2)n1 ZINC000257307439 549726865 /nfs/dbraw/zinc/72/68/65/549726865.db2.gz SYQGZKWQGWOWQD-UHFFFAOYSA-N 0 1 353.470 2.408 40 0 FEABMN CN(C)C(=O)[C@H]1C[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257320438 549727447 /nfs/dbraw/zinc/72/74/47/549727447.db2.gz VWVDZQZQIRRRJZ-LJQANCHMSA-N 0 1 368.433 2.341 40 0 FEABMN CN(C)C(=O)[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCO1 ZINC000257320438 549727449 /nfs/dbraw/zinc/72/74/49/549727449.db2.gz VWVDZQZQIRRRJZ-LJQANCHMSA-N 0 1 368.433 2.341 40 0 FEABMN Cc1nc(Nc2ncccn2)cc([C@H]2CCCN(Cc3ccnn3C)C2)n1 ZINC000257324382 549727551 /nfs/dbraw/zinc/72/75/51/549727551.db2.gz WOLWUQJNFKUUFC-HNNXBMFYSA-N 0 1 364.457 2.432 40 0 FEABMN O=C([O-])C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514288381 560035223 /nfs/dbraw/zinc/03/52/23/560035223.db2.gz BVLNEEDOQSEPEC-KBPBESRZSA-N 0 1 358.442 2.092 40 0 biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514288381 560035224 /nfs/dbraw/zinc/03/52/24/560035224.db2.gz BVLNEEDOQSEPEC-KBPBESRZSA-N 0 1 358.442 2.092 40 0 biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514288381 560035225 /nfs/dbraw/zinc/03/52/25/560035225.db2.gz BVLNEEDOQSEPEC-KBPBESRZSA-N 0 1 358.442 2.092 40 0 biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@@H+](C2CCOCC2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288381 560035226 /nfs/dbraw/zinc/03/52/26/560035226.db2.gz BVLNEEDOQSEPEC-KBPBESRZSA-N 0 1 358.442 2.092 40 0 biogenic,in-vitro FEABMN O=C([O-])C[C@@H]1CC[N@H+](C2CCOCC2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288381 560035227 /nfs/dbraw/zinc/03/52/27/560035227.db2.gz BVLNEEDOQSEPEC-KBPBESRZSA-N 0 1 358.442 2.092 40 0 biogenic,in-vitro FEABMN OCCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585267903 570483072 /nfs/dbraw/zinc/48/30/72/570483072.db2.gz UMJLYFIIYNNFFK-OALUTQOASA-N 0 1 363.841 2.335 40 0 FEABMN Cc1ccc(C[C@@]2(CO)CN(C(=O)c3cc(C4CC4)[nH]n3)CCO2)cc1 ZINC000585277556 570489911 /nfs/dbraw/zinc/48/99/11/570489911.db2.gz MYHLIKREGRXAOV-FQEVSTJZSA-N 0 1 355.438 2.042 40 0 FEABMN CC(C)C(NS(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)C(C)C ZINC000224765164 571000336 /nfs/dbraw/zinc/00/03/36/571000336.db2.gz OREDBYREYSTKLK-UHFFFAOYSA-N 0 1 362.521 2.482 40 0 FEABMN COc1cc2c(cc1OC)CN(c1cc(C(C)C)nc(NCCO)n1)CC2 ZINC000329023074 571133170 /nfs/dbraw/zinc/13/31/70/571133170.db2.gz OSCUERMAYACYJG-UHFFFAOYSA-N 0 1 372.469 2.584 40 0 FEABMN CCc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(N[C@@H](C)CO)n1 ZINC000328984058 571134202 /nfs/dbraw/zinc/13/42/02/571134202.db2.gz HKFLJZPLYUXZSK-AWEZNQCLSA-N 0 1 370.497 2.622 40 0 FEABMN C[C@@H]1Cc2nnc(COc3cccnc3)n2CCN1Cc1cccnc1 ZINC000585097508 571220553 /nfs/dbraw/zinc/22/05/53/571220553.db2.gz KOPCBZRZCXCLKI-OAHLLOKOSA-N 0 1 350.426 2.094 40 0 FEABMN CC(C)(C(=O)N1CCC[C@@H](c2n[nH]c(=O)o2)C1)c1ccc2c(c1)OCCO2 ZINC000578888630 571281368 /nfs/dbraw/zinc/28/13/68/571281368.db2.gz IPFBFIWPLZGHQV-GFCCVEGCSA-N 0 1 373.409 2.230 40 0 FEABMN COc1cc2c(cc1OC)[C@]1(Cc3ccc4c(c3[C@H]1O)OCO4)N(C)CC2 ZINC000000898541 539334948 /nfs/dbraw/zinc/33/49/48/539334948.db2.gz QDNMFIYGVRUVCE-RTWAWAEBSA-N 0 1 369.417 2.405 40 0 biogenic,in-vitro FEABMN CC[C@@H]1CCCCN1C(=O)CN1[C@@H]2CC[C@H]1CC(O)(c1nccn1C)C2 ZINC000012114571 539544019 /nfs/dbraw/zinc/54/40/19/539544019.db2.gz PRDGNQMJFHRNEA-BXVXDWSXSA-N 0 1 360.502 2.026 40 0 FEABMN CC(=O)N1CCc2nc([C@@H]3CCCN(Cc4ccccn4)C3)ncc2C1 ZINC000019018415 539650425 /nfs/dbraw/zinc/65/04/25/539650425.db2.gz MGYKYQHYYIUXKX-MRXNPFEDSA-N 0 1 351.454 2.156 40 0 FEABMN O=C1CCOC[C@]2(CN(Cc3cccnc3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000019339620 539654693 /nfs/dbraw/zinc/65/46/93/539654693.db2.gz OWCIYSFGSQDXKZ-JXFKEZNVSA-N 0 1 373.403 2.235 40 0 FEABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)COC)CC1)c1ccccc1 ZINC000019526671 539659449 /nfs/dbraw/zinc/65/94/49/539659449.db2.gz VISUSHLBLQDYFV-UHFFFAOYSA-N 0 1 370.453 2.429 40 0 FEABMN O=C(CC1CCN(Cc2ccnc(N3CCCC3)n2)CC1)N1CCCC1 ZINC000019748461 539669066 /nfs/dbraw/zinc/66/90/66/539669066.db2.gz BXGNMYNMPKOHII-UHFFFAOYSA-N 0 1 357.502 2.301 40 0 FEABMN CCCc1c(COC)nc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O ZINC000022448493 539694981 /nfs/dbraw/zinc/69/49/81/539694981.db2.gz MAVWYLKPEZSAAV-UHFFFAOYSA-N 0 1 356.470 2.191 40 0 FEABMN O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CC2CCCCC2)nn1 ZINC000008298506 291054312 /nfs/dbraw/zinc/05/43/12/291054312.db2.gz NHSMDRBINKNYSU-AHRSYUTCSA-N 0 1 371.529 2.390 40 0 biogenic,in-vitro FEABMN CN(C)CC(=O)N1CCC[C@@H](c2nc(N)ncc2-c2ccc(F)cc2)C1 ZINC000072346179 541800162 /nfs/dbraw/zinc/80/01/62/541800162.db2.gz BSHPIGVVULMIQH-CQSZACIVSA-N 0 1 357.433 2.133 40 0 FEABMN Cc1ccc(CC(=O)N2CCC[C@H]2c2nnc3n2CCN(C)C3)cc1C 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O=C(c1ccnnc1)N1CCC2(CCN(Cc3nccs3)CC2)CC1 ZINC000096158400 209126717 /nfs/dbraw/zinc/12/67/17/209126717.db2.gz YEWMSMUTZMXGQB-UHFFFAOYSA-N 0 1 357.483 2.452 40 0 FEABMN CO[C@H]1CCN(C(=O)c2cccc(C)n2)[C@@H]2CN(Cc3ccco3)C[C@@H]21 ZINC000096109495 209114618 /nfs/dbraw/zinc/11/46/18/209114618.db2.gz VVVZPNFHBCOFQW-UHOSZYNNSA-N 0 1 355.438 2.345 40 0 FEABMN CC(C)CN1CCNC(=O)C12CCN(C(=O)c1ccc3[nH]ccc3c1)CC2 ZINC000096077186 209108582 /nfs/dbraw/zinc/10/85/82/209108582.db2.gz QLICXXJLDKXAMH-UHFFFAOYSA-N 0 1 368.481 2.231 40 0 FEABMN C[C@@H]1CN(C[C@H]2C(=O)O[C@@H]3CC4=CCC[C@@H](C)[C@@]4(C)[C@@H](O)[C@@H]32)C[C@H](C)O1 ZINC000036369528 207282556 /nfs/dbraw/zinc/28/25/56/207282556.db2.gz AGRFRTKLCPEWTJ-VERVRKFVSA-N 0 1 363.498 2.381 40 0 FEABMN CCn1cc(C(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccncc3)n2)c(C)n1 ZINC000012144683 207342682 /nfs/dbraw/zinc/34/26/82/207342682.db2.gz FHRPYDGBIJLHIP-OAHLLOKOSA-N 0 1 351.414 2.369 40 0 FEABMN CCc1cc(=O)n2[n-]c([C@@H]3CCCN3C(=O)CCn3cc[nH+]c3C)cc2n1 ZINC000012221283 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COc1cccc(-c2cncc([C@@H]3CCCN(CC(=O)N(C)C)C3)n2)c1 ZINC000072359610 541802003 /nfs/dbraw/zinc/80/20/03/541802003.db2.gz VAZXRYUUJUZYJB-MRXNPFEDSA-N 0 1 354.454 2.420 40 0 FEABMN CNc1cncc([C@@H]2CCCN2C(=O)CCN(C)Cc2ccccn2)n1 ZINC000257249149 533072164 /nfs/dbraw/zinc/07/21/64/533072164.db2.gz JGZYTNNOEZJDKD-KRWDZBQOSA-N 0 1 354.458 2.099 40 0 FEABMN O=C(NCC1CC1)[C@@H]1C[C@@H]2CCN(CCOCc3ccccc3)C[C@@H]2O1 ZINC000096040973 542988198 /nfs/dbraw/zinc/98/81/98/542988198.db2.gz MSGAICKBERXOSO-UFYCRDLUSA-N 0 1 358.482 2.209 40 0 FEABMN COc1ccc(CN2CCn3c(CN4CCN(C)CC4)cnc3[C@@H]2C)cc1 ZINC000096062019 222008449 /nfs/dbraw/zinc/00/84/49/222008449.db2.gz STXOHHPMTBNZTL-KRWDZBQOSA-N 0 1 369.513 2.216 40 0 FEABMN Cc1cnc(N2C[C@@H]3C[N@@H+](Cc4ccco4)CCC[C@]3(C(=O)[O-])C2)nc1 ZINC000096185238 222071197 /nfs/dbraw/zinc/07/11/97/222071197.db2.gz JLGKFGLYRLNXJK-KXBFYZLASA-N 0 1 356.426 2.181 40 0 FEABMN Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NCc4ccccn4)O[C@@H]3C2)o1 ZINC000096208294 222078363 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FEABMN COc1cc(N2CCC3(C[C@H](N(C)Cc4ccco4)CO3)CC2)ncn1 ZINC000096158686 536825893 /nfs/dbraw/zinc/82/58/93/536825893.db2.gz ARFCDTNUGSJCKX-HNNXBMFYSA-N 0 1 358.442 2.338 40 0 FEABMN N[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218185202 548685173 /nfs/dbraw/zinc/68/51/73/548685173.db2.gz GXEMQMLSSZDCQK-XHSDSOJGSA-N 0 1 351.811 2.336 40 0 FEABMN CCOC[C@@H]1CCN(C)C2(CN(C(=O)Cc3ccc(F)cc3OC)C2)C1 ZINC000248152684 549412167 /nfs/dbraw/zinc/41/21/67/549412167.db2.gz UUJBPDSHYGNOFX-OAHLLOKOSA-N 0 1 364.461 2.336 40 0 FEABMN COC(=O)c1cccc(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 ZINC000408526467 558685948 /nfs/dbraw/zinc/68/59/48/558685948.db2.gz BFQOYBHVCHOOLH-UHFFFAOYSA-N 0 1 369.406 2.384 40 0 FEABMN COc1cccc([C@H]2CO[C@]3(C2)CN(Cc2c(C)noc2C)C[C@H]3O)c1 ZINC000585290587 570495982 /nfs/dbraw/zinc/49/59/82/570495982.db2.gz FRSVSQKXQZIFCS-NSISKUIASA-N 0 1 358.438 2.419 40 0 FEABMN Cc1c(CN2CCn3c(COCC4CCC4)nnc3C[C@@H]2C)cnn1C ZINC000585098007 571220824 /nfs/dbraw/zinc/22/08/24/571220824.db2.gz QIJACRORNBPHGG-AWEZNQCLSA-N 0 1 358.490 2.084 40 0 FEABMN O=C1N[C@@H](c2cccs2)C(=C(O)c2cccnc2)[C@@](O)(C(F)(F)F)N1 ZINC000004269924 539380452 /nfs/dbraw/zinc/38/04/52/539380452.db2.gz DHXMJAXEVDILKL-COPLHBTASA-N 0 1 371.340 2.247 40 0 FEABMN O=c1[nH]/c(=C\c2ccc(Cl)cc2)c(=O)[nH]/c1=C\c1ccc(Cl)cc1 ZINC000006221208 539423762 /nfs/dbraw/zinc/42/37/62/539423762.db2.gz AOQJMDOQAQNFJY-VULZFCBJSA-N 0 1 359.212 2.028 40 0 FEABMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(C)c2C)C(=O)NC1=S ZINC000008334127 539484081 /nfs/dbraw/zinc/48/40/81/539484081.db2.gz OPHQSGKOCXSLLS-GXDHUFHOSA-N 0 1 369.446 2.482 40 0 FEABMN CCn1cc(CN2C[C@@H]3OC[C@H](CCOCc4ccccn4)[C@@H]3C2)cn1 ZINC000306133229 210054603 /nfs/dbraw/zinc/05/46/03/210054603.db2.gz MGAPMVDMGNERHN-IHPCNDPISA-N 0 1 356.470 2.352 40 0 FEABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(C)=O)n(C)n1 ZINC000012601983 539566654 /nfs/dbraw/zinc/56/66/54/539566654.db2.gz MNGJYIHESBYIPS-JZXOWHBKSA-N 0 1 368.481 2.410 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CBJFFKYUPHXGFA-RDTXWAMCSA-N 0 1 368.485 2.017 40 0 FEABMN Cc1nc2cc(NC(=O)CN3CCC[C@@H]3Cn3cccn3)ccc2n1C ZINC000019658001 220282678 /nfs/dbraw/zinc/28/26/78/220282678.db2.gz HPYNOSCAGBZUHD-MRXNPFEDSA-N 0 1 352.442 2.181 40 0 FEABMN O=C1CO[C@H]2CN(Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1cccnc1 ZINC000067897130 221302978 /nfs/dbraw/zinc/30/29/78/221302978.db2.gz RDHYKUJEDDXRJQ-UXHICEINSA-N 0 1 362.433 2.175 40 0 biogenic,in-vitro FEABMN COc1ccc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)cc1 ZINC000306130144 533568086 /nfs/dbraw/zinc/56/80/86/533568086.db2.gz IXLJNISILNJFGM-LJQANCHMSA-N 0 1 373.478 2.014 40 0 FEABMN Cc1ncsc1CN1CC[C@H]2O[C@H](C(=O)Nc3cnccn3)CC[C@H]21 ZINC000096040905 542988013 /nfs/dbraw/zinc/98/80/13/542988013.db2.gz BIARCNNVRYNVGJ-MCIONIFRSA-N 0 1 359.455 2.002 40 0 FEABMN COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1 ZINC000096107815 222026986 /nfs/dbraw/zinc/02/69/86/222026986.db2.gz HHFAJLQMOLDOFN-QUCCMNQESA-N 0 1 355.438 2.435 40 0 FEABMN 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