smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2F)C1 ZINC000042437778 205095221 /nfs/dbraw/zinc/09/52/21/205095221.db2.gz OJHWUIRAOSSOPX-OAHLLOKOSA-N 1 1 369.415 4.440 50 10 FICAMO CN(C)c1ccc(C[N@H+]2CCCn3nc(-c4ccc(F)cc4)cc3C2)cc1 ZINC000065270427 205332897 /nfs/dbraw/zinc/33/28/97/205332897.db2.gz PPGMBRZBOAXGFF-UHFFFAOYSA-N 1 1 364.468 4.161 50 10 FICAMO COc1cccc(O)c1C[N@H+]1CCC[C@H](C(=O)c2cccc(Cl)c2)C1 ZINC000014977379 570827784 /nfs/dbraw/zinc/82/77/84/570827784.db2.gz CMCBTJXJEYNZRX-HNNXBMFYSA-N 1 1 359.853 4.149 50 10 FICAMO CCOc1cccc(C[N@H+]2CCC[C@H](c3n[nH]cc3CC(C)C)C2)c1O ZINC000042942819 571099346 /nfs/dbraw/zinc/09/93/46/571099346.db2.gz NBVPSYOXYQZEFA-INIZCTEOSA-N 1 1 357.498 4.092 50 10 FICAMO CC1CC[NH+](CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 ZINC000033296745 571230875 /nfs/dbraw/zinc/23/08/75/571230875.db2.gz WROZKTSLRXBROY-GDNBJRDFSA-N 1 1 366.939 4.231 50 10 FICAMO COc1ccc(CC[N@@H+](C)Cc2c(O)ccc3ccccc32)cc1OC ZINC000003371116 204094998 /nfs/dbraw/zinc/09/49/98/204094998.db2.gz OUXULLHIHLVVNG-UHFFFAOYSA-N 1 1 351.446 4.237 50 10 FICAMO COC(=O)[C@H](Cc1ccc(O)cc1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004551351 204145623 /nfs/dbraw/zinc/14/56/23/204145623.db2.gz RHCBSOOPQGYLJF-NRFANRHFSA-N 1 1 372.424 4.290 50 10 FICAMO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(N(C)C)cc2)[NH2+][C@@H]1c1ccc(N(C)C)cc1 ZINC000036020469 205000072 /nfs/dbraw/zinc/00/00/72/205000072.db2.gz MBRDKMVQLAQSMB-KFVVBQDRSA-N 1 1 365.521 4.046 50 10 FICAMO O=[N+]([O-])c1ccc([C@@H]2c3cccn3CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000036347782 205010123 /nfs/dbraw/zinc/01/01/23/205010123.db2.gz QDWHGGUQEIOLEJ-OAQYLSRUSA-N 1 1 363.417 4.097 50 10 FICAMO CC(C)Oc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000012594868 570753114 /nfs/dbraw/zinc/75/31/14/570753114.db2.gz WMYPRPBYYKEPIP-IBGZPJMESA-N 1 1 353.462 4.274 50 10 FICAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@H+](C)[C@H](C)c3ccon3)c2)c1 ZINC000015003863 570828810 /nfs/dbraw/zinc/82/88/10/570828810.db2.gz AEESSBXNYSEXJI-CQSZACIVSA-N 1 1 368.433 4.257 50 10 FICAMO COc1ccc(OC)c(-c2ccc(O)c(C[N@@H+](C)[C@H](C)c3ccon3)c2)c1 ZINC000015003863 570828814 /nfs/dbraw/zinc/82/88/14/570828814.db2.gz AEESSBXNYSEXJI-CQSZACIVSA-N 1 1 368.433 4.257 50 10 FICAMO CSc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccccc1S2 ZINC000019362651 570887267 /nfs/dbraw/zinc/88/72/67/570887267.db2.gz RLJFTICUTYVZDG-GOSISDBHSA-N 1 1 356.560 4.404 50 10 world FICAMO CCc1ccc2c(c1)[C@H](N1CC[NH+](C)CC1)Cc1ccc(F)cc1S2 ZINC000019802289 570903311 /nfs/dbraw/zinc/90/33/11/570903311.db2.gz QAWPLLCAZZUCCZ-LJQANCHMSA-N 1 1 356.510 4.384 50 10 FICAMO CCc1cc([C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)on1 ZINC000035511259 571076734 /nfs/dbraw/zinc/07/67/34/571076734.db2.gz FQOSEHNRGRCORN-AWEZNQCLSA-N 1 1 351.244 4.042 50 10 FICAMO CCc1cc([C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)on1 ZINC000035511259 571076735 /nfs/dbraw/zinc/07/67/35/571076735.db2.gz FQOSEHNRGRCORN-AWEZNQCLSA-N 1 1 351.244 4.042 50 10 FICAMO Cc1ccc(O)c(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccc3occc3c2)c1 ZINC000072148199 571173662 /nfs/dbraw/zinc/17/36/62/571173662.db2.gz FAGGCLVYDRLEIY-QFIPXVFZSA-N 1 1 359.429 4.318 50 10 FICAMO Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000039563925 205046139 /nfs/dbraw/zinc/04/61/39/205046139.db2.gz FZJZBNLYSAXQHW-UHFFFAOYSA-N 1 1 367.537 4.287 50 10 FICAMO Oc1ccccc1C[N@H+]1CCOc2c(O)cc(-c3cccs3)cc2C1 ZINC000055165813 205207712 /nfs/dbraw/zinc/20/77/12/205207712.db2.gz ZVBGSYBENTVYQI-UHFFFAOYSA-N 1 1 353.443 4.221 50 10 FICAMO C[N@@H+](Cc1ccccc1)Cc1c(O)ccc2oc(-c3ccco3)cc(=O)c21 ZINC000004387305 206174920 /nfs/dbraw/zinc/17/49/20/206174920.db2.gz KXWMQSOQPUQDRO-UHFFFAOYSA-N 1 1 361.397 4.391 50 10 FICAMO COc1ccc2ccc(O)c(C[N@H+]3CCN(C)C[C@@H]3c3ccccc3)c2c1 ZINC000109035858 206247501 /nfs/dbraw/zinc/24/75/01/206247501.db2.gz NTXZUQBBPRJNQU-JOCHJYFZSA-N 1 1 362.473 4.043 50 10 FICAMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000095949318 132216147 /nfs/dbraw/zinc/21/61/47/132216147.db2.gz NUUQJCXEYTYFAJ-QFIPXVFZSA-N 1 1 363.505 4.040 50 10 FICAMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@H]1c1ccccc1 ZINC000095949318 132216148 /nfs/dbraw/zinc/21/61/48/132216148.db2.gz NUUQJCXEYTYFAJ-QFIPXVFZSA-N 1 1 363.505 4.040 50 10 FICAMO COc1ccc(N2CCN([C@H]3CCC[N@H+](C4CCCCCC4)C3)CC2)cc1 ZINC000055183189 136126162 /nfs/dbraw/zinc/12/61/62/136126162.db2.gz VOHBXLYFLJWCQO-QFIPXVFZSA-N 1 1 371.569 4.004 50 10 FICAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)c1O ZINC000012577727 570751414 /nfs/dbraw/zinc/75/14/14/570751414.db2.gz WMOHGZJBKWVWKX-HNNXBMFYSA-N 1 1 373.880 4.458 50 10 FICAMO CSc1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1ccc(O)cc1S2 ZINC000022865462 570945215 /nfs/dbraw/zinc/94/52/15/570945215.db2.gz LFESIFMFSVSVLR-GOSISDBHSA-N 1 1 372.559 4.110 50 10 FICAMO COc1ccc(C(=O)c2coc3ccc(O)c(C[NH+]4CCCCC4)c23)cc1 ZINC000001075152 571145585 /nfs/dbraw/zinc/14/55/85/571145585.db2.gz IIMARUZOQMCQCP-UHFFFAOYSA-N 1 1 365.429 4.364 50 10 biogenic FICAMO CCN(CC)c1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000004980779 204181860 /nfs/dbraw/zinc/18/18/60/204181860.db2.gz MPTZXKXMHRFMIX-UHFFFAOYSA-N 1 1 354.494 4.108 50 10 FICAMO Cc1cc(-c2csc(N3CC[NH+](C)CC3)n2)c(C)n1-c1ccccc1F ZINC000023386456 204803132 /nfs/dbraw/zinc/80/31/32/204803132.db2.gz AWUFSZZUZLRAMG-UHFFFAOYSA-N 1 1 370.497 4.109 50 10 FICAMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000095949319 132216143 /nfs/dbraw/zinc/21/61/43/132216143.db2.gz NUUQJCXEYTYFAJ-JOCHJYFZSA-N 1 1 363.505 4.040 50 10 FICAMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000095949319 132216144 /nfs/dbraw/zinc/21/61/44/132216144.db2.gz NUUQJCXEYTYFAJ-JOCHJYFZSA-N 1 1 363.505 4.040 50 10 FICAMO OC[C@@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000011982333 570713577 /nfs/dbraw/zinc/71/35/77/570713577.db2.gz VNMHNPGWSNREHO-INIZCTEOSA-N 1 1 354.475 4.016 50 10 FICAMO OC[C@H]1CCCC[N@H+]1Cc1cc(-c2nc3ccccc3s2)ccc1O ZINC000011982334 570713627 /nfs/dbraw/zinc/71/36/27/570713627.db2.gz VNMHNPGWSNREHO-MRXNPFEDSA-N 1 1 354.475 4.016 50 10 FICAMO O=C(Nc1ccccc1)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000012733959 571058104 /nfs/dbraw/zinc/05/81/04/571058104.db2.gz BBKKGISGBXFDGO-GOSISDBHSA-N 1 1 360.457 4.396 50 10 FICAMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3CC(C)C)C2)c1O ZINC000042942822 571099238 /nfs/dbraw/zinc/09/92/38/571099238.db2.gz NBVPSYOXYQZEFA-MRXNPFEDSA-N 1 1 357.498 4.092 50 10 FICAMO O=C(c1coc2ccc(O)c(C[NH+]3CCCCC3)c12)c1ccc(F)cc1 ZINC000253410887 571319958 /nfs/dbraw/zinc/31/99/58/571319958.db2.gz NXGRYSCDCXEIKX-UHFFFAOYSA-N 1 1 353.393 4.494 50 10 FICAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000006082923 204235670 /nfs/dbraw/zinc/23/56/70/204235670.db2.gz KQTVIFQARXOSBP-NRFANRHFSA-N 1 1 369.505 4.275 50 10 FICAMO COC(=O)c1cc2ccccc2c(C[N@@H+](C)Cc2ccc(Cl)nc2)c1O ZINC000032770209 570796981 /nfs/dbraw/zinc/79/69/81/570796981.db2.gz QOBWVXHMVIBTLO-UHFFFAOYSA-N 1 1 370.836 4.012 50 10 FICAMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 ZINC000015069975 570831510 /nfs/dbraw/zinc/83/15/10/570831510.db2.gz ZBOAIRCGDNDTJP-QGZVFWFLSA-N 1 1 351.425 4.301 50 10 FICAMO CSc1ccc2c(c1)[C@@H]([NH+]1CCN(C)CC1)Cc1ccc(O)cc1S2 ZINC000022865489 570945202 /nfs/dbraw/zinc/94/52/02/570945202.db2.gz LFESIFMFSVSVLR-SFHVURJKSA-N 1 1 372.559 4.110 50 10 FICAMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2c(cnn2C(C)C)c1 ZINC000095393708 571329277 /nfs/dbraw/zinc/32/92/77/571329277.db2.gz FJIWHTKKGBCBDE-UHFFFAOYSA-N 1 1 351.498 4.100 50 10 FICAMO Cc1oc2ccc(O)c(C[N@@H+]3CCC[C@H](C)C3)c2c1C(=O)NC1CCCC1 ZINC000005182598 204195639 /nfs/dbraw/zinc/19/56/39/204195639.db2.gz GGVZXUCRTPGXMI-AWEZNQCLSA-N 1 1 370.493 4.351 50 10 FICAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCCC1 ZINC000006082920 204236517 /nfs/dbraw/zinc/23/65/17/204236517.db2.gz KQTVIFQARXOSBP-OAQYLSRUSA-N 1 1 369.505 4.275 50 10 FICAMO Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000048303136 206082744 /nfs/dbraw/zinc/08/27/44/206082744.db2.gz WSASPPVEJIFRJF-HXUWFJFHSA-N 1 1 365.477 4.028 50 10 FICAMO Oc1c(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12 ZINC000054104453 136125213 /nfs/dbraw/zinc/12/52/13/136125213.db2.gz KYJSUKDFCORLNT-UHFFFAOYSA-N 1 1 371.843 4.055 50 10 FICAMO COc1ccc(N2CCN([C@@H]3CCC[N@H+](C4CCCCCC4)C3)CC2)cc1 ZINC000055183188 136126299 /nfs/dbraw/zinc/12/62/99/136126299.db2.gz VOHBXLYFLJWCQO-JOCHJYFZSA-N 1 1 371.569 4.004 50 10 FICAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033344697 571236621 /nfs/dbraw/zinc/23/66/21/571236621.db2.gz PRVYFVREOWCGND-NAKBGQTNSA-N 1 1 361.533 4.097 50 10 FICAMO CN(C)c1ccc(/C=C/CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033344697 571236622 /nfs/dbraw/zinc/23/66/22/571236622.db2.gz PRVYFVREOWCGND-NAKBGQTNSA-N 1 1 361.533 4.097 50 10 FICAMO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000011843082 1125227269 /nfs/dbraw/zinc/22/72/69/1125227269.db2.gz BAZWCZPZUVYXBB-IBGZPJMESA-N 1 1 372.940 4.432 50 10 FICAMO C[N@H+](Cc1ccccc1O)C[C@@H]1CCCN(CCc2ccc(Cl)cc2)C1 ZINC000011843082 1125227274 /nfs/dbraw/zinc/22/72/74/1125227274.db2.gz BAZWCZPZUVYXBB-IBGZPJMESA-N 1 1 372.940 4.432 50 10 FICAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(N(C)C)cc2)N3)C1 ZINC000004109189 204122256 /nfs/dbraw/zinc/12/22/56/204122256.db2.gz JQJYTJFBEJJJDU-GOSISDBHSA-N 1 1 370.522 4.010 50 10 FICAMO CCN(CC)c1ccc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000004981075 204182428 /nfs/dbraw/zinc/18/24/28/204182428.db2.gz ITNUOBZVVCQYIR-UHFFFAOYSA-N 1 1 356.510 4.225 50 10 FICAMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc4ccccc4s3)C1)OCO2 ZINC000007142498 204289978 /nfs/dbraw/zinc/28/99/78/204289978.db2.gz DOSDRWFPGUKMSP-CYBMUJFWSA-N 1 1 368.458 4.110 50 10 FICAMO Cc1ccc(O)c(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000067803519 205393323 /nfs/dbraw/zinc/39/33/23/205393323.db2.gz SKXSLNGTOZRYCB-QFIPXVFZSA-N 1 1 358.445 4.053 50 10 FICAMO Cc1ccc(O)c(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000067803519 205393327 /nfs/dbraw/zinc/39/33/27/205393327.db2.gz SKXSLNGTOZRYCB-QFIPXVFZSA-N 1 1 358.445 4.053 50 10 FICAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccccc3SC)C2)c1O ZINC000012022003 570714587 /nfs/dbraw/zinc/71/45/87/570714587.db2.gz CQKROLADHYXHMZ-HNNXBMFYSA-N 1 1 371.502 4.218 50 10 FICAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1O ZINC000012073549 570716501 /nfs/dbraw/zinc/71/65/01/570716501.db2.gz BHTYXZJYPWRIDI-OAHLLOKOSA-N 1 1 359.853 4.149 50 10 FICAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000021720200 570933342 /nfs/dbraw/zinc/93/33/42/570933342.db2.gz AKDDFPNKKLVULS-CQSZACIVSA-N 1 1 351.244 4.097 50 10 FICAMO Oc1ccccc1C[N@H+]1CCC[C@H](c2n[nH]cc2-c2ccccc2F)C1 ZINC000043056887 205100268 /nfs/dbraw/zinc/10/02/68/205100268.db2.gz HXVJMLVHIOLCSX-INIZCTEOSA-N 1 1 351.425 4.301 50 10 FICAMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)c1 ZINC000011950499 570712822 /nfs/dbraw/zinc/71/28/22/570712822.db2.gz RVVBARXKFBXUHQ-OAHLLOKOSA-N 1 1 359.853 4.149 50 10 FICAMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012078920 570717087 /nfs/dbraw/zinc/71/70/87/570717087.db2.gz DKDBRQAEHVSRBV-IBGZPJMESA-N 1 1 357.425 4.116 50 10 FICAMO CCOc1ccc2c(c1)[C@H]([NH+]1CCN(C)CC1)Cc1ccc(F)cc1S2 ZINC000019802295 570903390 /nfs/dbraw/zinc/90/33/90/570903390.db2.gz JLIBHWZRKUAMOT-LJQANCHMSA-N 1 1 372.509 4.220 50 10 FICAMO CCOc1cccc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)c1O ZINC000023359779 570962023 /nfs/dbraw/zinc/96/20/23/570962023.db2.gz IYSRPKGRWHOZSL-IBGZPJMESA-N 1 1 372.484 4.026 50 10 FICAMO Oc1cc2c(cc1C[N@H+]1CCc3sccc3[C@@H]1c1cccs1)OCO2 ZINC000023855514 570968476 /nfs/dbraw/zinc/96/84/76/570968476.db2.gz VHCAVKGBYQWCOO-LJQANCHMSA-N 1 1 371.483 4.392 50 10 FICAMO Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c(C)n1-c1cccc(C)c1 ZINC000048303135 209330853 /nfs/dbraw/zinc/33/08/53/209330853.db2.gz WSASPPVEJIFRJF-FQEVSTJZSA-N 1 1 365.477 4.028 50 10 FICAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000021720198 570933322 /nfs/dbraw/zinc/93/33/22/570933322.db2.gz AKDDFPNKKLVULS-AWEZNQCLSA-N 1 1 351.244 4.097 50 10 FICAMO CN(C)c1ccc(/C=C/C[NH+]2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC000019633581 571070568 /nfs/dbraw/zinc/07/05/68/571070568.db2.gz PRVYFVREOWCGND-JMQWPVDRSA-N 1 1 361.533 4.097 50 10 FICAMO CN(C)c1ccc(/C=C/CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000019633581 571070569 /nfs/dbraw/zinc/07/05/69/571070569.db2.gz PRVYFVREOWCGND-JMQWPVDRSA-N 1 1 361.533 4.097 50 10 FICAMO COC(=O)[C@@H](Cc1ccc(O)cc1)Nc1c2ccccc2[nH+]c2ccccc21 ZINC000004551350 207028659 /nfs/dbraw/zinc/02/86/59/207028659.db2.gz RHCBSOOPQGYLJF-OAQYLSRUSA-N 1 1 372.424 4.290 50 10 FICAMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1c1nc3ccccc3s1)OCO2 ZINC000008195831 207223576 /nfs/dbraw/zinc/22/35/76/207223576.db2.gz KYHDYJAHDKXKJC-OAHLLOKOSA-N 1 1 368.458 4.458 50 10 FICAMO Oc1cc2c(cc1C[N@H+]1CCCC[C@@H]1c1nc3ccccc3s1)OCO2 ZINC000008195831 207223580 /nfs/dbraw/zinc/22/35/80/207223580.db2.gz KYHDYJAHDKXKJC-OAHLLOKOSA-N 1 1 368.458 4.458 50 10 FICAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000012594863 207399768 /nfs/dbraw/zinc/39/97/68/207399768.db2.gz WMYPRPBYYKEPIP-LJQANCHMSA-N 1 1 353.462 4.274 50 10 FICAMO Oc1ccccc1C[N@@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037523205 208179752 /nfs/dbraw/zinc/17/97/52/208179752.db2.gz VSGVWENQNDCAJR-OAQYLSRUSA-N 1 1 354.400 4.467 50 10 FICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@H]1c1cccc(F)c1F ZINC000037523205 208179755 /nfs/dbraw/zinc/17/97/55/208179755.db2.gz VSGVWENQNDCAJR-OAQYLSRUSA-N 1 1 354.400 4.467 50 10 FICAMO Oc1ccccc1C[N@@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037523204 208179948 /nfs/dbraw/zinc/17/99/48/208179948.db2.gz VSGVWENQNDCAJR-NRFANRHFSA-N 1 1 354.400 4.467 50 10 FICAMO Oc1ccccc1C[N@H+]1CCCn2cccc2[C@@H]1c1cccc(F)c1F ZINC000037523204 208179954 /nfs/dbraw/zinc/17/99/54/208179954.db2.gz VSGVWENQNDCAJR-NRFANRHFSA-N 1 1 354.400 4.467 50 10 FICAMO 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CCOc1cccc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)c1O ZINC000023359776 570962283 /nfs/dbraw/zinc/96/22/83/570962283.db2.gz IYSRPKGRWHOZSL-LJQANCHMSA-N 1 1 372.484 4.026 50 10 FICAMO CC(C)(C)OC(=O)N1CC[NH+]([C@@H](c2cccs2)c2ccccc2O)CC1 ZINC000025760488 570999980 /nfs/dbraw/zinc/99/99/80/570999980.db2.gz OTBBWUHOHOVTFB-GOSISDBHSA-N 1 1 374.506 4.096 50 10 FICAMO O=[N+]([O-])c1ccccc1[C@@H]1c2cccn2CCC[N@@H+]1Cc1ccccc1O ZINC000036347816 571249116 /nfs/dbraw/zinc/24/91/16/571249116.db2.gz ZXBGCRLKMOZJTR-OAQYLSRUSA-N 1 1 363.417 4.097 50 10 FICAMO CC[C@@H](c1cc(Br)ccc1O)[N@@H+](C)Cc1c(C)noc1C ZINC000170601051 571266952 /nfs/dbraw/zinc/26/69/52/571266952.db2.gz QBPBSZFAOMBDIW-HNNXBMFYSA-N 1 1 353.260 4.343 50 10 FICAMO COC(=O)c1cc2ccccc2c(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1O ZINC000014185877 220114633 /nfs/dbraw/zinc/11/46/33/220114633.db2.gz FZLOJPDRRUCNTI-ZDUSSCGKSA-N 1 1 367.367 4.106 50 10 FICAMO COc1ccc2ccc(O)c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC000022367028 220383986 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CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Br)ccc1O ZINC000072305016 570508857 /nfs/dbraw/zinc/50/88/57/570508857.db2.gz RTVNCQSXHCYBAI-UHFFFAOYSA-N 1 1 356.210 4.455 50 10 FICAMO CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC000012078922 570717161 /nfs/dbraw/zinc/71/71/61/570717161.db2.gz DKDBRQAEHVSRBV-LJQANCHMSA-N 1 1 357.425 4.116 50 10 FICAMO CN(C)c1ccc(/C=C\C[NH+]2CCN(C/C=C\c3ccccc3)CC2)cc1 ZINC000033344696 571236555 /nfs/dbraw/zinc/23/65/55/571236555.db2.gz PRVYFVREOWCGND-SQXCDDPUSA-N 1 1 361.533 4.097 50 10 FICAMO CN(C)c1ccc(/C=C\CN2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000033344696 571236556 /nfs/dbraw/zinc/23/65/56/571236556.db2.gz PRVYFVREOWCGND-SQXCDDPUSA-N 1 1 361.533 4.097 50 10 FICAMO