smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH2+]CCC=C1c2ccccc2[C@H]2C[C@@H]2c2ccccc21 ZINC000002005385 169767159 /nfs/dbraw/zinc/76/71/59/169767159.db2.gz MILRTYCRJIRPKY-WOJBJXKFSA-N 1 0 275.395 4.312 10 10 in-man CICERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC000020121959 171001960 /nfs/dbraw/zinc/00/19/60/171001960.db2.gz IVJYGDLOGOHFFS-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1ccc(O)cc1O)c1cccc(Cl)c1 ZINC000020124254 171006107 /nfs/dbraw/zinc/00/61/07/171006107.db2.gz GKDFDJPDZAKMMY-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO CC[C@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1O ZINC000020147957 171035532 /nfs/dbraw/zinc/03/55/32/171035532.db2.gz ZAMWAOJTKSOUJA-LRDDRELGSA-N 1 0 273.351 4.333 10 10 CICERO CC[C@@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1O ZINC000020147958 171035560 /nfs/dbraw/zinc/03/55/60/171035560.db2.gz ZAMWAOJTKSOUJA-MLGOLLRUSA-N 1 0 273.351 4.333 10 10 CICERO CC[C@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1O ZINC000020148419 171036263 /nfs/dbraw/zinc/03/62/63/171036263.db2.gz ASPYCDFKPRYGCN-AAEUAGOBSA-N 1 0 261.390 4.256 10 10 CICERO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000035012548 171930273 /nfs/dbraw/zinc/93/02/73/171930273.db2.gz UVBKILQBWSEVEB-RCCFBDPRSA-N 1 0 286.463 4.201 10 10 CICERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CC)c1ccccc1O ZINC000037031676 172899233 /nfs/dbraw/zinc/89/92/33/172899233.db2.gz QRVSAQTZHGSHKU-BPUTZDHNSA-N 1 0 261.409 4.402 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@H](c2cccs2)C(C)C)c1 ZINC000071407663 176156257 /nfs/dbraw/zinc/15/62/57/176156257.db2.gz DKQAMESRCQIIFE-INIZCTEOSA-N 1 0 275.417 4.249 10 10 CICERO C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000130438381 260396134 /nfs/dbraw/zinc/39/61/34/260396134.db2.gz DBVUKQZVXDXGMA-GUYCJALGSA-N 1 0 267.372 4.120 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N(C)CCC)c(Cl)c1 ZINC000061694874 519988559 /nfs/dbraw/zinc/98/85/59/519988559.db2.gz IJQASPZLEAPZHP-LBPRGKRZSA-N 1 0 268.832 4.247 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694417 520066151 /nfs/dbraw/zinc/06/61/51/520066151.db2.gz KFFRUGPTOHAHRC-CYBMUJFWSA-N 1 0 280.843 4.391 10 10 CICERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000052335436 522914354 /nfs/dbraw/zinc/91/43/54/522914354.db2.gz MRYFOABJUBLXFM-XJKSGUPXSA-N 1 0 261.409 4.402 10 10 CICERO CN(Cc1ccc(Cl)cc1)c1ccc(C[NH3+])c(Cl)c1 ZINC000061845991 523226860 /nfs/dbraw/zinc/22/68/60/523226860.db2.gz FUWCZVILIQAVHX-UHFFFAOYSA-N 1 0 295.213 4.089 10 10 CICERO C[C@@H]1C[C@H](C)CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000062734627 525388211 /nfs/dbraw/zinc/38/82/11/525388211.db2.gz NTEFIQIQAIGZQC-GASCZTMLSA-N 1 0 274.452 4.057 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000037235132 525660549 /nfs/dbraw/zinc/66/05/49/525660549.db2.gz TWQKMIIHGLNNOK-CHWSQXEVSA-N 1 0 274.433 4.226 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000037280541 525935697 /nfs/dbraw/zinc/93/56/97/525935697.db2.gz HSUVFICTQZEZRE-KBPBESRZSA-N 1 0 272.392 4.066 10 10 CICERO [NH3+]Cc1ccc(N(Cc2ccsc2)C2CC2)c(Cl)c1 ZINC000062793013 527254844 /nfs/dbraw/zinc/25/48/44/527254844.db2.gz NCHLNYYJXODUML-UHFFFAOYSA-N 1 0 292.835 4.029 10 10 CICERO CC(C)C[NH2+][C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569981 570408275 /nfs/dbraw/zinc/40/82/75/570408275.db2.gz GGRIKQMONBPBMR-HUUCEWRRSA-N 1 0 292.442 4.369 10 10 CICERO CC(C)[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572043 570408314 /nfs/dbraw/zinc/40/83/14/570408314.db2.gz GFROZFFPGHJHMR-AWEZNQCLSA-N 1 0 278.415 4.121 10 10 CICERO CC(C)C[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000035709558 134802666 /nfs/dbraw/zinc/80/26/66/134802666.db2.gz GGRIKQMONBPBMR-LSDHHAIUSA-N 1 0 292.442 4.369 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c(O)c1 ZINC000020126353 171010507 /nfs/dbraw/zinc/01/05/07/171010507.db2.gz AIHPERDMZGRZCG-GJZGRUSLSA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(O)c1 ZINC000020148623 171037057 /nfs/dbraw/zinc/03/70/57/171037057.db2.gz DRQBDLOADPBTFD-NEPJUHHUSA-N 1 0 261.390 4.174 10 10 CICERO CC(C)[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020549726 171246800 /nfs/dbraw/zinc/24/68/00/171246800.db2.gz WUCLAVLUWQKGPZ-AWEZNQCLSA-N 1 0 278.415 4.265 10 10 CICERO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000020551750 171247442 /nfs/dbraw/zinc/24/74/42/171247442.db2.gz CQUBFEUSRZXNGQ-ZBFHGGJFSA-N 1 0 274.452 4.057 10 10 CICERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738781 172392449 /nfs/dbraw/zinc/39/24/49/172392449.db2.gz RFJGDVVKXGKQTD-AVGNSLFASA-N 1 0 271.360 4.193 10 10 CICERO CCCN(c1ccc([C@H](C)[NH2+]C)cc1Cl)C(C)C ZINC000061694841 521697142 /nfs/dbraw/zinc/69/71/42/521697142.db2.gz JJVWMYFKVXZRCY-LBPRGKRZSA-N 1 0 268.832 4.245 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020595281 570408191 /nfs/dbraw/zinc/40/81/91/570408191.db2.gz KYHHOMHDBXUJMC-ZIAGYGMSSA-N 1 0 278.415 4.123 10 10 CICERO CC[C@H](C)N(CC)c1ccc([C@H](C)[NH3+])cc1Br ZINC000103964097 185869898 /nfs/dbraw/zinc/86/98/98/185869898.db2.gz VGVXMAFWDBPQNQ-QWRGUYRKSA-N 1 0 299.256 4.094 10 10 CICERO CCN(CC)c1ccc(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000020023938 170972079 /nfs/dbraw/zinc/97/20/79/170972079.db2.gz JFQOYEQKMBZUHU-BXWFABGCSA-N 1 0 288.479 4.447 10 10 CICERO CC[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccccc1O ZINC000020148418 171036316 /nfs/dbraw/zinc/03/63/16/171036316.db2.gz ASPYCDFKPRYGCN-WCQYABFASA-N 1 0 261.390 4.256 10 10 CICERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000020523252 171236026 /nfs/dbraw/zinc/23/60/26/171236026.db2.gz IQQCKOHRBMWQON-CHWSQXEVSA-N 1 0 257.377 4.241 10 10 CICERO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000020551748 171247443 /nfs/dbraw/zinc/24/74/43/171247443.db2.gz CQUBFEUSRZXNGQ-GDBMZVCRSA-N 1 0 274.452 4.057 10 10 CICERO CCN(CC)c1ccc(C[NH2+][C@H](C)CCC(C)C)cc1 ZINC000021815972 171332546 /nfs/dbraw/zinc/33/25/46/171332546.db2.gz JEQYHFIJXHIBSK-MRXNPFEDSA-N 1 0 276.468 4.447 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000035628743 172308115 /nfs/dbraw/zinc/30/81/15/172308115.db2.gz IBCYMUBKXUUNAU-QWHCGFSZSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000035628912 172308138 /nfs/dbraw/zinc/30/81/38/172308138.db2.gz LNRTTZAVZFVZNL-NWDGAFQWSA-N 1 0 261.390 4.174 10 10 CICERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738782 172392643 /nfs/dbraw/zinc/39/26/43/172392643.db2.gz RFJGDVVKXGKQTD-FRRDWIJNSA-N 1 0 271.360 4.193 10 10 CICERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000037031240 172899021 /nfs/dbraw/zinc/89/90/21/172899021.db2.gz LZVLLSFISPYZAP-LZWOXQAQSA-N 1 0 261.409 4.320 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)CC)cc1 ZINC000037173487 173007582 /nfs/dbraw/zinc/00/75/82/173007582.db2.gz QTXSFBZWGAMAHU-LSDHHAIUSA-N 1 0 262.441 4.230 10 10 CICERO CCN(CC)c1ccc(C[NH2+][C@@H](C)CC(C)C)cc1 ZINC000037260710 173070491 /nfs/dbraw/zinc/07/04/91/173070491.db2.gz GUSJRRVEVOAPHA-HNNXBMFYSA-N 1 0 262.441 4.057 10 10 CICERO CCN(CC)c1ccc(C[NH2+][C@H](C)CC(C)C)cc1 ZINC000037260712 173070920 /nfs/dbraw/zinc/07/09/20/173070920.db2.gz GUSJRRVEVOAPHA-OAHLLOKOSA-N 1 0 262.441 4.057 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)CC(C)C)cc1 ZINC000042584616 174807401 /nfs/dbraw/zinc/80/74/01/174807401.db2.gz QIDLFAOBTHFYHT-LSDHHAIUSA-N 1 0 262.441 4.228 10 10 CICERO CC(C)CN(c1ccc(C[NH2+]C(C)C)cc1)C(C)C ZINC000042588807 174810483 /nfs/dbraw/zinc/81/04/83/174810483.db2.gz ACKRAQQGFNTIIM-UHFFFAOYSA-N 1 0 262.441 4.055 10 10 CICERO CC[C@@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(Cl)cc1 ZINC000042951407 174923614 /nfs/dbraw/zinc/92/36/14/174923614.db2.gz XXKPDCAJVVCMJX-NEPJUHHUSA-N 1 0 298.864 4.367 10 10 CICERO CC[C@@H]([NH3+])[C@H](Sc1nccs1)c1cccc(C)c1 ZINC000042970416 174933274 /nfs/dbraw/zinc/93/32/74/174933274.db2.gz HXAUPXGEFDAGSY-CHWSQXEVSA-N 1 0 278.446 4.022 10 10 CICERO CC(C)[C@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062736036 519811913 /nfs/dbraw/zinc/81/19/13/519811913.db2.gz SHXADPINGBIENH-AWEZNQCLSA-N 1 0 262.441 4.055 10 10 CICERO CCN(c1ccc([C@@H](C)[NH3+])cc1Cl)C1CCCC1 ZINC000061695144 521493194 /nfs/dbraw/zinc/49/31/94/521493194.db2.gz PDWIBMNMWHTHNB-LLVKDONJSA-N 1 0 266.816 4.129 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N(CC)CC)c(Cl)c1 ZINC000061693933 519989016 /nfs/dbraw/zinc/98/90/16/519989016.db2.gz XIVHJVZOCQJWKF-LBPRGKRZSA-N 1 0 268.832 4.247 10 10 CICERO CCCN(CC(F)(F)F)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061697930 521587808 /nfs/dbraw/zinc/58/78/08/521587808.db2.gz ROZSQNFKDKUQQP-VIFPVBQESA-N 1 0 294.748 4.138 10 10 CICERO C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(Cl)c1 ZINC000061694047 522332971 /nfs/dbraw/zinc/33/29/71/522332971.db2.gz CVKBRWCXRSKXOV-LBPRGKRZSA-N 1 0 266.816 4.001 10 10 CICERO CN(CC(C)(C)C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062737994 522547896 /nfs/dbraw/zinc/54/78/96/522547896.db2.gz LLGHEJJDEPGOKT-UHFFFAOYSA-N 1 0 262.441 4.057 10 10 CICERO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C1CCCCC1 ZINC000052335439 522741103 /nfs/dbraw/zinc/74/11/03/522741103.db2.gz MRYFOABJUBLXFM-CJNGLKHVSA-N 1 0 261.409 4.402 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000036959890 525934112 /nfs/dbraw/zinc/93/41/12/525934112.db2.gz BZDXUYPSDKYPNC-STQMWFEESA-N 1 0 259.349 4.014 10 10 CICERO C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550889 570408394 /nfs/dbraw/zinc/40/83/94/570408394.db2.gz QSIVICFRRIZJJD-ZDUSSCGKSA-N 1 0 276.399 4.019 10 10 CICERO C[C@H](c1cccs1)N(C)c1ccc([C@H](C)[NH3+])cc1F ZINC000103958971 185868289 /nfs/dbraw/zinc/86/82/89/185868289.db2.gz SZSSZPCUTAEYPD-WDEREUQCSA-N 1 0 278.396 4.104 10 10 CICERO CCC[NH2+]Cc1ccc(N(C)C(CC)CC)c(C)c1 ZINC000104167558 185915845 /nfs/dbraw/zinc/91/58/45/185915845.db2.gz MCAIYXIHPZLALY-UHFFFAOYSA-N 1 0 262.441 4.119 10 10 CICERO C[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)[C@H](C)C1 ZINC000005735717 170135287 /nfs/dbraw/zinc/13/52/87/170135287.db2.gz UUUCDNVNAZOHPC-ZIAGYGMSSA-N 1 0 269.388 4.166 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC000020121958 171001768 /nfs/dbraw/zinc/00/17/68/171001768.db2.gz IVJYGDLOGOHFFS-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000020147935 171035389 /nfs/dbraw/zinc/03/53/89/171035389.db2.gz CUVJHGQDFKBZQO-JTQLQIEISA-N 1 0 279.742 4.036 10 10 CICERO Oc1ccc2ccccc2c1C[NH2+]Cc1ccc(Cl)cc1 ZINC000020209636 171073031 /nfs/dbraw/zinc/07/30/31/171073031.db2.gz HCOWAXGXLIEBQE-UHFFFAOYSA-N 1 0 297.785 4.489 10 10 CICERO C[C@H]([NH2+]C1CC1)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020550985 171247073 /nfs/dbraw/zinc/24/70/73/171247073.db2.gz FHXKOMAIYCIRLC-ZDUSSCGKSA-N 1 0 276.399 4.019 10 10 CICERO CCCC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000021804539 171326820 /nfs/dbraw/zinc/32/68/20/171326820.db2.gz MRHSTJCVZBFTLZ-UHFFFAOYSA-N 1 0 274.452 4.201 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000035628905 172308531 /nfs/dbraw/zinc/30/85/31/172308531.db2.gz ODVLOLSLUPMRFT-QWHCGFSZSA-N 1 0 273.351 4.252 10 10 CICERO Oc1ccc2ccccc2c1C[NH2+]CC1CCCCC1 ZINC000037259579 173070175 /nfs/dbraw/zinc/07/01/75/173070175.db2.gz XYSZUGGAXLSOCW-UHFFFAOYSA-N 1 0 269.388 4.215 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H]2CC)cc1 ZINC000037914130 173847912 /nfs/dbraw/zinc/84/79/12/173847912.db2.gz VYGJVPRHQQSNNM-HOCLYGCPSA-N 1 0 260.425 4.126 10 10 CICERO CCCCCN(c1ccc([C@@H](C)[NH2+]C)cc1)C(C)C ZINC000042557604 174794404 /nfs/dbraw/zinc/79/44/04/174794404.db2.gz LUPSKJWBTVJWKY-OAHLLOKOSA-N 1 0 262.441 4.372 10 10 CICERO CCC1CCN(c2ccc([C@H](C)[NH2+]C)cc2Cl)CC1 ZINC000061696456 519859908 /nfs/dbraw/zinc/85/99/08/519859908.db2.gz PQUMNCRAELHLAC-LBPRGKRZSA-N 1 0 280.843 4.247 10 10 CICERO CC(C)C[C@@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061697677 519772646 /nfs/dbraw/zinc/77/26/46/519772646.db2.gz VQVPFCICROABFU-VXGBXAGGSA-N 1 0 268.832 4.231 10 10 CICERO CC(C)[C@@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062736035 519791265 /nfs/dbraw/zinc/79/12/65/519791265.db2.gz SHXADPINGBIENH-CQSZACIVSA-N 1 0 262.441 4.055 10 10 CICERO CCCCCN(C)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694979 520155574 /nfs/dbraw/zinc/15/55/74/520155574.db2.gz VYPGONIRMOUILW-LLVKDONJSA-N 1 0 299.256 4.095 10 10 CICERO CCCN(c1ccc(C[NH2+]C(C)C)c(C)c1)C(C)C ZINC000050581839 521697309 /nfs/dbraw/zinc/69/73/09/521697309.db2.gz MDDWRMPZJQQCQT-UHFFFAOYSA-N 1 0 262.441 4.118 10 10 CICERO C[C@@H]([NH3+])c1ccc(N2CCCCCCC2)c(Cl)c1 ZINC000061694594 525027458 /nfs/dbraw/zinc/02/74/58/525027458.db2.gz VEMAAEGGEZMGCH-GFCCVEGCSA-N 1 0 266.816 4.130 10 10 CICERO C[C@@H]([NH3+])c1ccc(N(C)C2CCCCC2)c(Cl)c1 ZINC000061694260 525027567 /nfs/dbraw/zinc/02/75/67/525027567.db2.gz ZDKASBLXNVXYAK-LLVKDONJSA-N 1 0 266.816 4.129 10 10 CICERO C[C@H](c1cccs1)N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793045 526155115 /nfs/dbraw/zinc/15/51/15/526155115.db2.gz UZMBBXNGFHNNOH-SNVBAGLBSA-N 1 0 280.824 4.058 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020595275 570408365 /nfs/dbraw/zinc/40/83/65/570408365.db2.gz FSXNAZGHUNLFOQ-AWEZNQCLSA-N 1 0 278.415 4.123 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccccc1Cl ZINC000020124082 171005758 /nfs/dbraw/zinc/00/57/58/171005758.db2.gz WQKVCFORRFEEND-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO C[C@H]([NH2+]Cc1c(O)ccc2ccccc21)c1cccs1 ZINC000020148232 171035969 /nfs/dbraw/zinc/03/59/69/171035969.db2.gz LFCZBLQZYURKII-LBPRGKRZSA-N 1 0 283.396 4.458 10 10 CICERO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021033433 171292034 /nfs/dbraw/zinc/29/20/34/171292034.db2.gz JEUBUZJKYOXKJT-MSOLQXFVSA-N 1 0 288.479 4.447 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2)c1 ZINC000035628744 172308469 /nfs/dbraw/zinc/30/84/69/172308469.db2.gz IBCYMUBKXUUNAU-STQMWFEESA-N 1 0 273.351 4.252 10 10 CICERO CCCCCC[C@@H](C)[NH2+][C@@H](C)c1cc(O)ccc1O ZINC000037138930 172978217 /nfs/dbraw/zinc/97/82/17/172978217.db2.gz XOYBZVUJJPVJAP-OLZOCXBDSA-N 1 0 265.397 4.107 10 10 CICERO C[C@H]([NH2+]C1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000037218317 173036892 /nfs/dbraw/zinc/03/68/92/173036892.db2.gz MVCGAAYSYLSTKB-AWEZNQCLSA-N 1 0 260.425 4.126 10 10 CICERO CC[C@@H]([NH3+])[C@H](Sc1nccs1)c1ccc(Cl)cc1 ZINC000042951399 174923733 /nfs/dbraw/zinc/92/37/33/174923733.db2.gz XXKPDCAJVVCMJX-VXGBXAGGSA-N 1 0 298.864 4.367 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@@H](c2cccs2)C(C)C)c1 ZINC000071407662 176156476 /nfs/dbraw/zinc/15/64/76/176156476.db2.gz DKQAMESRCQIIFE-MRXNPFEDSA-N 1 0 275.417 4.249 10 10 CICERO C[NH2+][C@H](C)c1ccc(Sc2nccs2)c(Cl)c1 ZINC000061700296 522452182 /nfs/dbraw/zinc/45/21/82/522452182.db2.gz DOCSPZXWTASARU-MRVPVSSYSA-N 1 0 284.837 4.228 10 10 CICERO CCCCN(C)c1ccc(C[NH2+]C(C)(C)C)c(C)c1 ZINC000050581273 520436690 /nfs/dbraw/zinc/43/66/90/520436690.db2.gz MAGHMXZLDBTGTR-UHFFFAOYSA-N 1 0 262.441 4.119 10 10 CICERO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000049529019 522640707 /nfs/dbraw/zinc/64/07/07/522640707.db2.gz UDWHEHWEGWFVJB-LBPRGKRZSA-N 1 0 281.808 4.348 10 10 CICERO CC[C@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)c(C)c1 ZINC000050581929 523925005 /nfs/dbraw/zinc/92/50/05/523925005.db2.gz VJRGKDSHUGXELK-AWEZNQCLSA-N 1 0 262.441 4.118 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccs1 ZINC000094616961 525528298 /nfs/dbraw/zinc/52/82/98/525528298.db2.gz ROGCAJZXDVLEJC-UWVGGRQHSA-N 1 0 265.353 4.005 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000094617207 525528793 /nfs/dbraw/zinc/52/87/93/525528793.db2.gz RRMBCPFJCBOIJM-UWVGGRQHSA-N 1 0 295.304 4.221 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cc(F)ccc1O ZINC000094616963 525616096 /nfs/dbraw/zinc/61/60/96/525616096.db2.gz ROGCAJZXDVLEJC-ZJUUUORDSA-N 1 0 265.353 4.005 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC000036953024 525935559 /nfs/dbraw/zinc/93/55/59/525935559.db2.gz FGNVPALINUUGOC-RYUDHWBXSA-N 1 0 291.341 4.391 10 10 CICERO C[C@H]([NH2+]Cc1ccccc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550921 570408399 /nfs/dbraw/zinc/40/83/99/570408399.db2.gz UOGUVPIMBHOABA-HNNXBMFYSA-N 1 0 298.405 4.277 10 10 CICERO Cc1cc2c(n1-c1ccc(Cl)cc1Cl)CCC[C@H]2[NH3+] ZINC000103986472 185875773 /nfs/dbraw/zinc/87/57/73/185875773.db2.gz AMJTUYAYLAYOQH-CYBMUJFWSA-N 1 0 295.213 4.429 10 10 CICERO Oc1ccccc1C1([NH+]2CCCCC2)CCCCC1 ZINC000006095246 170176340 /nfs/dbraw/zinc/17/63/40/170176340.db2.gz HYRXMRJOHRWNFJ-UHFFFAOYSA-N 1 0 259.393 4.038 10 10 CICERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)c1ccccc1O ZINC000020018735 170970485 /nfs/dbraw/zinc/97/04/85/170970485.db2.gz MUZPVIJXFDBMMA-BFJAYTPKSA-N 1 0 261.409 4.258 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccc(Cl)cc1 ZINC000020121957 171002328 /nfs/dbraw/zinc/00/23/28/171002328.db2.gz IVJYGDLOGOHFFS-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c(O)c1 ZINC000020126364 171010252 /nfs/dbraw/zinc/01/02/52/171010252.db2.gz DZPKEKOOLMLFPB-UONOGXRCSA-N 1 0 285.387 4.121 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)c(O)c1 ZINC000020126354 171010327 /nfs/dbraw/zinc/01/03/27/171010327.db2.gz AIHPERDMZGRZCG-HUUCEWRRSA-N 1 0 269.388 4.421 10 10 CICERO CCCCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020582615 171257565 /nfs/dbraw/zinc/25/75/65/171257565.db2.gz ZMXQUJBRXWSYTN-CQSZACIVSA-N 1 0 278.415 4.267 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(C)Cc2cccs2)cc1 ZINC000035717660 172371658 /nfs/dbraw/zinc/37/16/58/172371658.db2.gz UPZFFHBMNDBYOZ-ZDUSSCGKSA-N 1 0 274.433 4.055 10 10 CICERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738783 172392683 /nfs/dbraw/zinc/39/26/83/172392683.db2.gz RFJGDVVKXGKQTD-RWMBFGLXSA-N 1 0 271.360 4.193 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N(C)C[C@@H](C)CC)cc1 ZINC000037173486 173008023 /nfs/dbraw/zinc/00/80/23/173008023.db2.gz QTXSFBZWGAMAHU-GJZGRUSLSA-N 1 0 262.441 4.230 10 10 CICERO C[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000037254317 173065124 /nfs/dbraw/zinc/06/51/24/173065124.db2.gz GEYAQLWCGKPSLK-UKRRQHHQSA-N 1 0 269.388 4.214 10 10 CICERO C[C@H]1CCC[C@@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000037254319 173065522 /nfs/dbraw/zinc/06/55/22/173065522.db2.gz GEYAQLWCGKPSLK-DZGCQCFKSA-N 1 0 269.388 4.214 10 10 CICERO CC[C@H]([NH3+])[C@@H](Sc1nccs1)c1ccc(C)cc1 ZINC000042943974 174919523 /nfs/dbraw/zinc/91/95/23/174919523.db2.gz BOWVDSFSYRJQRE-STQMWFEESA-N 1 0 278.446 4.022 10 10 CICERO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C1CCCCC1 ZINC000071409213 176156614 /nfs/dbraw/zinc/15/66/14/176156614.db2.gz HKGXLECXPTUNDC-INIZCTEOSA-N 1 0 261.409 4.149 10 10 CICERO CCC(CC)N(C)c1ccc([C@H](C)[NH3+])cc1Br ZINC000061695394 521545421 /nfs/dbraw/zinc/54/54/21/521545421.db2.gz CHGUGFHBUVFBIK-JTQLQIEISA-N 1 0 299.256 4.094 10 10 CICERO CC(C)C[C@H](C)N(C)c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061697678 519312094 /nfs/dbraw/zinc/31/20/94/519312094.db2.gz VQVPFCICROABFU-NWDGAFQWSA-N 1 0 268.832 4.231 10 10 CICERO CCC1CCN(c2ccc([C@@H](C)[NH2+]C)cc2Cl)CC1 ZINC000061696455 519859952 /nfs/dbraw/zinc/85/99/52/519859952.db2.gz PQUMNCRAELHLAC-GFCCVEGCSA-N 1 0 280.843 4.247 10 10 CICERO CCC[C@@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000049540962 520781615 /nfs/dbraw/zinc/78/16/15/520781615.db2.gz WEPYYPOSCFDMTF-CYBMUJFWSA-N 1 0 261.390 4.085 10 10 CICERO CC[C@@H](C)N(CC)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694961 522084921 /nfs/dbraw/zinc/08/49/21/522084921.db2.gz VGVXMAFWDBPQNQ-GHMZBOCLSA-N 1 0 299.256 4.094 10 10 CICERO CC[C@H]1CCCCN1c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694798 523032661 /nfs/dbraw/zinc/03/26/61/523032661.db2.gz UIGAOZAAQWBVHQ-YPMHNXCESA-N 1 0 266.816 4.129 10 10 CICERO CC[C@@H]1CCCCN1c1ccc([C@@H](C)[NH3+])cc1Cl ZINC000061694797 523180946 /nfs/dbraw/zinc/18/09/46/523180946.db2.gz UIGAOZAAQWBVHQ-DGCLKSJQSA-N 1 0 266.816 4.129 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)C2CCCCC2)c(Cl)c1 ZINC000061694259 524864982 /nfs/dbraw/zinc/86/49/82/524864982.db2.gz ZDKASBLXNVXYAK-NSHDSACASA-N 1 0 266.816 4.129 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1cccs1 ZINC000094616964 525657516 /nfs/dbraw/zinc/65/75/16/525657516.db2.gz ROGCAJZXDVLEJC-NXEZZACHSA-N 1 0 265.353 4.005 10 10 CICERO CC1CCC(CC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000070538585 567888769 /nfs/dbraw/zinc/88/87/69/567888769.db2.gz FDQRPGOMLYGMQS-UHFFFAOYSA-N 1 0 281.827 4.352 10 10 CICERO COc1ccc(C[NH2+]CCC2CCC(C)CC2)cc1C ZINC000070547513 567888955 /nfs/dbraw/zinc/88/89/55/567888955.db2.gz PVMOFIPJHMUSHL-UHFFFAOYSA-N 1 0 275.436 4.310 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)[C@H]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000104172363 185916062 /nfs/dbraw/zinc/91/60/62/185916062.db2.gz CRVUATMIXASNTP-DYEKYZERSA-N 1 0 280.843 4.375 10 10 CICERO CCC(CC)[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000104435911 186001445 /nfs/dbraw/zinc/00/14/45/186001445.db2.gz TVUYZSAGOUEQQF-ZIAGYGMSSA-N 1 0 262.441 4.228 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccc(Cl)c1 ZINC000020124273 171006570 /nfs/dbraw/zinc/00/65/70/171006570.db2.gz HRKZVIJEMSJRLD-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)c(O)c1 ZINC000020126352 171010618 /nfs/dbraw/zinc/01/06/18/171010618.db2.gz AIHPERDMZGRZCG-CABCVRRESA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccs2)c(O)c1 ZINC000020148622 171036846 /nfs/dbraw/zinc/03/68/46/171036846.db2.gz DRQBDLOADPBTFD-VXGBXAGGSA-N 1 0 261.390 4.174 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020595291 171264030 /nfs/dbraw/zinc/26/40/30/171264030.db2.gz RRSXMUMDCPNEOD-AWEZNQCLSA-N 1 0 278.415 4.267 10 10 CICERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021513932 171311595 /nfs/dbraw/zinc/31/15/95/171311595.db2.gz MLWGIIKHQYGIEA-HOCLYGCPSA-N 1 0 262.441 4.057 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCc3ccccc32)c1 ZINC000035628831 172308358 /nfs/dbraw/zinc/30/83/58/172308358.db2.gz NXVHKDHUTSQQLX-DYVFJYSZSA-N 1 0 267.372 4.039 10 10 CICERO CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000037031241 172899153 /nfs/dbraw/zinc/89/91/53/172899153.db2.gz LZVLLSFISPYZAP-DZKIICNBSA-N 1 0 261.409 4.320 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000153060757 261073167 /nfs/dbraw/zinc/07/31/67/261073167.db2.gz GISIMJYHIWFYTO-MRXNPFEDSA-N 1 0 297.398 4.093 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(CC)C(C)C)c(Cl)c1 ZINC000061694779 520076054 /nfs/dbraw/zinc/07/60/54/520076054.db2.gz KNXOIPFXCPEMPX-LBPRGKRZSA-N 1 0 268.832 4.245 10 10 CICERO CCC[C@H]([NH2+]Cc1ccccc1O)c1cccs1 ZINC000049540961 521164215 /nfs/dbraw/zinc/16/42/15/521164215.db2.gz WEPYYPOSCFDMTF-ZDUSSCGKSA-N 1 0 261.390 4.085 10 10 CICERO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccs1 ZINC000049528872 522698489 /nfs/dbraw/zinc/69/84/89/522698489.db2.gz ZMFBOEOHVREPIO-AAEUAGOBSA-N 1 0 261.390 4.256 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000052333164 525361798 /nfs/dbraw/zinc/36/17/98/525361798.db2.gz JMWIMMZQWSMQFG-UONOGXRCSA-N 1 0 261.409 4.320 10 10 CICERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094616866 525416505 /nfs/dbraw/zinc/41/65/05/525416505.db2.gz BIZVWXKMICZJQS-QWHCGFSZSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC000036953023 525740889 /nfs/dbraw/zinc/74/08/89/525740889.db2.gz FGNVPALINUUGOC-NWDGAFQWSA-N 1 0 291.341 4.391 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)cc2O)o1 ZINC000036959892 525741626 /nfs/dbraw/zinc/74/16/26/525741626.db2.gz BZDXUYPSDKYPNC-QWHCGFSZSA-N 1 0 259.349 4.014 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000037280543 525746685 /nfs/dbraw/zinc/74/66/85/525746685.db2.gz HSUVFICTQZEZRE-ZIAGYGMSSA-N 1 0 272.392 4.066 10 10 CICERO C[N+](C)(C)CCC=C1c2ccccc2CCc2ccccc21 ZINC000006068074 717103420 /nfs/dbraw/zinc/10/34/20/717103420.db2.gz XYGIKHHONJMYDJ-UHFFFAOYSA-N 1 0 292.446 4.313 10 10 CICERO CCC(CC)CN(CC)c1ccc(C[NH3+])cc1Cl ZINC000103947687 185866892 /nfs/dbraw/zinc/86/68/92/185866892.db2.gz JGYJFNXDSOMGNG-UHFFFAOYSA-N 1 0 268.832 4.061 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)[C@@H]2CCC[C@@H](C)C2)c(Cl)c1 ZINC000104172374 185916021 /nfs/dbraw/zinc/91/60/21/185916021.db2.gz CRVUATMIXASNTP-MBNYWOFBSA-N 1 0 280.843 4.375 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(C)C[C@@H](C)CC)c(Cl)c1 ZINC000104185573 185919000 /nfs/dbraw/zinc/91/90/00/185919000.db2.gz VYFHKEDAARUAMS-QWHCGFSZSA-N 1 0 282.859 4.493 10 10 CICERO CN(C)c1ccc(C[NH2+]C2CCC(C(C)(C)C)CC2)cc1 ZINC000019989539 170962051 /nfs/dbraw/zinc/96/20/51/170962051.db2.gz UPFHMXPMAAODPM-UHFFFAOYSA-N 1 0 288.479 4.447 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC000020121977 171002097 /nfs/dbraw/zinc/00/20/97/171002097.db2.gz WLKGLDQLSKXASH-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000020126255 171010161 /nfs/dbraw/zinc/01/01/61/171010161.db2.gz UISDJOXDDKIERW-LBPRGKRZSA-N 1 0 275.779 4.205 10 10 CICERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c(O)c1 ZINC000020126365 171010516 /nfs/dbraw/zinc/01/05/16/171010516.db2.gz DZPKEKOOLMLFPB-KBPBESRZSA-N 1 0 285.387 4.121 10 10 CICERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccc(F)c1 ZINC000020147934 171035553 /nfs/dbraw/zinc/03/55/53/171035553.db2.gz CUVJHGQDFKBZQO-SNVBAGLBSA-N 1 0 279.742 4.036 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccs2)c(O)c1 ZINC000020148620 171036936 /nfs/dbraw/zinc/03/69/36/171036936.db2.gz DRQBDLOADPBTFD-NWDGAFQWSA-N 1 0 261.390 4.174 10 10 CICERO Cc1ccc([C@H](C)[NH2+]C2CCCCCCC2)c(O)c1 ZINC000020550243 171246609 /nfs/dbraw/zinc/24/66/09/171246609.db2.gz AXYSXPXXURAWBS-AWEZNQCLSA-N 1 0 261.409 4.464 10 10 CICERO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000020551749 171247407 /nfs/dbraw/zinc/24/74/07/171247407.db2.gz CQUBFEUSRZXNGQ-GOEBONIOSA-N 1 0 274.452 4.057 10 10 CICERO C[C@H]1CCCC[C@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020566243 171254293 /nfs/dbraw/zinc/25/42/93/171254293.db2.gz LOTSTPSNYXGJDY-SUMWQHHRSA-N 1 0 269.388 4.214 10 10 CICERO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020566241 171254535 /nfs/dbraw/zinc/25/45/35/171254535.db2.gz LOTSTPSNYXGJDY-GUYCJALGSA-N 1 0 269.388 4.214 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000035628906 172307715 /nfs/dbraw/zinc/30/77/15/172307715.db2.gz ODVLOLSLUPMRFT-STQMWFEESA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000035628745 172307944 /nfs/dbraw/zinc/30/79/44/172307944.db2.gz IBCYMUBKXUUNAU-CHWSQXEVSA-N 1 0 273.351 4.252 10 10 CICERO C[C@@H]([NH2+]C1CCCCCC1)c1ccc(N(C)C)cc1 ZINC000037218318 173036896 /nfs/dbraw/zinc/03/68/96/173036896.db2.gz MVCGAAYSYLSTKB-CQSZACIVSA-N 1 0 260.425 4.126 10 10 CICERO C[C@H]1CCC[C@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000037254315 173065448 /nfs/dbraw/zinc/06/54/48/173065448.db2.gz GEYAQLWCGKPSLK-ZFWWWQNUSA-N 1 0 269.388 4.214 10 10 CICERO CCCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037267162 173077167 /nfs/dbraw/zinc/07/71/67/173077167.db2.gz OWOXAXVYNNUKRE-CABCVRRESA-N 1 0 262.441 4.372 10 10 CICERO CCCCCN(c1ccc([C@H](C)[NH3+])cc1F)C(C)C ZINC000042557581 174794449 /nfs/dbraw/zinc/79/44/49/174794449.db2.gz KFINQVCTWZOQSX-ZDUSSCGKSA-N 1 0 266.404 4.250 10 10 CICERO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)c1cccs1 ZINC000048417126 260655398 /nfs/dbraw/zinc/65/53/98/260655398.db2.gz PDKMLRYXYVMBEJ-AWEZNQCLSA-N 1 0 275.417 4.306 10 10 CICERO CCC[C@@H](C)N(C)c1ccc(C[NH2+]C(C)C)c(C)c1 ZINC000050582333 520647449 /nfs/dbraw/zinc/64/74/49/520647449.db2.gz QVMPIHATTYRMSD-OAHLLOKOSA-N 1 0 262.441 4.118 10 10 CICERO CCN(CC(C)C)c1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000061694939 520415824 /nfs/dbraw/zinc/41/58/24/520415824.db2.gz CEFLPLSVUNWQCV-LBPRGKRZSA-N 1 0 268.832 4.103 10 10 CICERO CCCCN(CC)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694220 520483096 /nfs/dbraw/zinc/48/30/96/520483096.db2.gz YAAKSFADIWMMBB-LLVKDONJSA-N 1 0 299.256 4.095 10 10 CICERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094616864 525418428 /nfs/dbraw/zinc/41/84/28/525418428.db2.gz BIZVWXKMICZJQS-STQMWFEESA-N 1 0 273.351 4.252 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000037235130 525609765 /nfs/dbraw/zinc/60/97/65/525609765.db2.gz TWQKMIIHGLNNOK-QWHCGFSZSA-N 1 0 274.433 4.226 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cccs1)c1ccc(N(C)C)cc1 ZINC000037235128 525616309 /nfs/dbraw/zinc/61/63/09/525616309.db2.gz TWQKMIIHGLNNOK-OLZOCXBDSA-N 1 0 274.433 4.226 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000037280539 525741910 /nfs/dbraw/zinc/74/19/10/525741910.db2.gz HSUVFICTQZEZRE-UONOGXRCSA-N 1 0 272.392 4.066 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000036959891 525746820 /nfs/dbraw/zinc/74/68/20/525746820.db2.gz BZDXUYPSDKYPNC-CHWSQXEVSA-N 1 0 259.349 4.014 10 10 CICERO CC(C)[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569963 570408318 /nfs/dbraw/zinc/40/83/18/570408318.db2.gz YPQZVEUHDNDZOP-KGLIPLIRSA-N 1 0 278.415 4.121 10 10 CICERO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550919 570408352 /nfs/dbraw/zinc/40/83/52/570408352.db2.gz UOGUVPIMBHOABA-OAHLLOKOSA-N 1 0 298.405 4.277 10 10 CICERO CCC(CC)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000104435914 186001222 /nfs/dbraw/zinc/00/12/22/186001222.db2.gz TVUYZSAGOUEQQF-UONOGXRCSA-N 1 0 262.441 4.228 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c(O)c1 ZINC000020095956 170995608 /nfs/dbraw/zinc/99/56/08/170995608.db2.gz UNJOQHHAAXVHGZ-CHWSQXEVSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000020126254 171010340 /nfs/dbraw/zinc/01/03/40/171010340.db2.gz UISDJOXDDKIERW-GFCCVEGCSA-N 1 0 275.779 4.205 10 10 CICERO CC[C@H]([NH2+][C@H](C)c1cccc(F)c1)c1ccccc1O ZINC000020147959 171035548 /nfs/dbraw/zinc/03/55/48/171035548.db2.gz ZAMWAOJTKSOUJA-WBMJQRKESA-N 1 0 273.351 4.333 10 10 CICERO C[C@H]1C[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC(C)(C)C1 ZINC000020551751 171247518 /nfs/dbraw/zinc/24/75/18/171247518.db2.gz CQUBFEUSRZXNGQ-HOCLYGCPSA-N 1 0 274.452 4.057 10 10 CICERO CCCCN(CC)c1ccc([C@@H](C)[NH2+]CCC)cc1 ZINC000034666793 171855598 /nfs/dbraw/zinc/85/55/98/171855598.db2.gz OWEMSXSKSRQOKA-OAHLLOKOSA-N 1 0 262.441 4.374 10 10 CICERO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035012553 171930782 /nfs/dbraw/zinc/93/07/82/171930782.db2.gz UVBKILQBWSEVEB-KURKYZTESA-N 1 0 286.463 4.201 10 10 CICERO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035257127 172087701 /nfs/dbraw/zinc/08/77/01/172087701.db2.gz FDRODDVVQOHRMR-CVEARBPZSA-N 1 0 261.409 4.062 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000035628812 172307678 /nfs/dbraw/zinc/30/76/78/172307678.db2.gz PACJSXOMSCVIOE-CABCVRRESA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000035628809 172308080 /nfs/dbraw/zinc/30/80/80/172308080.db2.gz PACJSXOMSCVIOE-LSDHHAIUSA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000035628910 172308380 /nfs/dbraw/zinc/30/83/80/172308380.db2.gz LNRTTZAVZFVZNL-RYUDHWBXSA-N 1 0 261.390 4.174 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccs2)c1 ZINC000035628911 172308497 /nfs/dbraw/zinc/30/84/97/172308497.db2.gz LNRTTZAVZFVZNL-VXGBXAGGSA-N 1 0 261.390 4.174 10 10 CICERO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CCCCC1 ZINC000052335435 522698283 /nfs/dbraw/zinc/69/82/83/522698283.db2.gz MRYFOABJUBLXFM-BBRMVZONSA-N 1 0 261.409 4.402 10 10 CICERO CCCCN(CC)c1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061694218 520484855 /nfs/dbraw/zinc/48/48/55/520484855.db2.gz ZQGYUJKGGWJWLC-GFCCVEGCSA-N 1 0 268.832 4.247 10 10 CICERO CCCC1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 ZINC000061698145 519903881 /nfs/dbraw/zinc/90/38/81/519903881.db2.gz LXGFBPLZXNFFCP-GFCCVEGCSA-N 1 0 280.843 4.376 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CCCCC2)c(Cl)c1 ZINC000061694416 519988874 /nfs/dbraw/zinc/98/88/74/519988874.db2.gz KFFRUGPTOHAHRC-ZDUSSCGKSA-N 1 0 280.843 4.391 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000036959889 525944287 /nfs/dbraw/zinc/94/42/87/525944287.db2.gz BZDXUYPSDKYPNC-OLZOCXBDSA-N 1 0 259.349 4.014 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020595277 570408261 /nfs/dbraw/zinc/40/82/61/570408261.db2.gz FSXNAZGHUNLFOQ-CQSZACIVSA-N 1 0 278.415 4.123 10 10 CICERO CC(C)[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572044 570408357 /nfs/dbraw/zinc/40/83/57/570408357.db2.gz GFROZFFPGHJHMR-CQSZACIVSA-N 1 0 278.415 4.121 10 10 CICERO CCCC[C@@H](C)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000103974868 185873200 /nfs/dbraw/zinc/87/32/00/185873200.db2.gz OPULMHNLBLPPOU-OAHLLOKOSA-N 1 0 262.441 4.201 10 10 CICERO CC[C@@H]([NH3+])Cc1c(Cl)cccc1Sc1nccs1 ZINC000104436188 186001003 /nfs/dbraw/zinc/00/10/03/186001003.db2.gz NLCBVAFWLQDWIA-SECBINFHSA-N 1 0 298.864 4.228 10 10 CICERO CC[C@H]([NH3+])Cc1c(Cl)cccc1Sc1nccs1 ZINC000104436184 186001144 /nfs/dbraw/zinc/00/11/44/186001144.db2.gz NLCBVAFWLQDWIA-VIFPVBQESA-N 1 0 298.864 4.228 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC000020121979 171001806 /nfs/dbraw/zinc/00/18/06/171001806.db2.gz WLKGLDQLSKXASH-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1cc(O)ccc1O ZINC000020121980 171002244 /nfs/dbraw/zinc/00/22/44/171002244.db2.gz WLKGLDQLSKXASH-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO CC[C@@H]([NH2+][C@H](C)c1cccs1)c1ccccc1O ZINC000020148420 171036141 /nfs/dbraw/zinc/03/61/41/171036141.db2.gz ASPYCDFKPRYGCN-DGCLKSJQSA-N 1 0 261.390 4.256 10 10 CICERO C[C@@H]([NH2+]Cc1c(O)ccc2ccccc21)c1cccs1 ZINC000020148231 171036252 /nfs/dbraw/zinc/03/62/52/171036252.db2.gz LFCZBLQZYURKII-GFCCVEGCSA-N 1 0 283.396 4.458 10 10 CICERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000020523250 171236038 /nfs/dbraw/zinc/23/60/38/171236038.db2.gz IQQCKOHRBMWQON-STQMWFEESA-N 1 0 257.377 4.241 10 10 CICERO Cc1ccc([C@@H](C)[NH2+]C2CCCCCCC2)c(O)c1 ZINC000020550242 171246844 /nfs/dbraw/zinc/24/68/44/171246844.db2.gz AXYSXPXXURAWBS-CQSZACIVSA-N 1 0 261.409 4.464 10 10 CICERO CCCC[C@@H](CC)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021011645 171287308 /nfs/dbraw/zinc/28/73/08/171287308.db2.gz HTKMSXVLLCJKNT-OAHLLOKOSA-N 1 0 262.441 4.059 10 10 CICERO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021033411 171292088 /nfs/dbraw/zinc/29/20/88/171292088.db2.gz JEUBUZJKYOXKJT-ZWKOTPCHSA-N 1 0 288.479 4.447 10 10 CICERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCC(C)CC1 ZINC000021056819 171295910 /nfs/dbraw/zinc/29/59/10/171295910.db2.gz CYBSWSZAIZFYMV-KNZJIWTASA-N 1 0 273.420 4.417 10 10 CICERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C1CCC(C)CC1 ZINC000021056809 171296033 /nfs/dbraw/zinc/29/60/33/171296033.db2.gz CYBSWSZAIZFYMV-JWZSIGGCSA-N 1 0 273.420 4.417 10 10 CICERO CCCCN(CC)c1ccc([C@H](C)[NH2+]CCC)cc1 ZINC000034666794 171855367 /nfs/dbraw/zinc/85/53/67/171855367.db2.gz OWEMSXSKSRQOKA-HNNXBMFYSA-N 1 0 262.441 4.374 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000035628908 172307950 /nfs/dbraw/zinc/30/79/50/172307950.db2.gz ODVLOLSLUPMRFT-OLZOCXBDSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccccc2C)c1 ZINC000035628810 172308542 /nfs/dbraw/zinc/30/85/42/172308542.db2.gz PACJSXOMSCVIOE-GJZGRUSLSA-N 1 0 269.388 4.421 10 10 CICERO C[C@@H]1CCC[C@H]([NH2+]Cc2c(O)ccc3ccccc32)C1 ZINC000037254313 173065353 /nfs/dbraw/zinc/06/53/53/173065353.db2.gz GEYAQLWCGKPSLK-HIFRSBDPSA-N 1 0 269.388 4.214 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(CC(C)C)C(C)C)cc1 ZINC000042584849 174807429 /nfs/dbraw/zinc/80/74/29/174807429.db2.gz UJODUWZQRGCWIE-OAHLLOKOSA-N 1 0 262.441 4.228 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(Cl)c2)c1 ZINC000071406384 176155693 /nfs/dbraw/zinc/15/56/93/176155693.db2.gz HGGYMOOUFJEYJD-LBPRGKRZSA-N 1 0 275.779 4.205 10 10 CICERO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000130438786 260396519 /nfs/dbraw/zinc/39/65/19/260396519.db2.gz DBVUKQZVXDXGMA-SUMWQHHRSA-N 1 0 267.372 4.120 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N(CC)CC)c(Cl)c1 ZINC000061693934 520065792 /nfs/dbraw/zinc/06/57/92/520065792.db2.gz XIVHJVZOCQJWKF-GFCCVEGCSA-N 1 0 268.832 4.247 10 10 CICERO CCCCCN(C)c1ccc([C@H](C)[NH3+])cc1Br ZINC000061694980 520155276 /nfs/dbraw/zinc/15/52/76/520155276.db2.gz VYPGONIRMOUILW-NSHDSACASA-N 1 0 299.256 4.095 10 10 CICERO C[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(Cl)c1 ZINC000061694048 522448721 /nfs/dbraw/zinc/44/87/21/522448721.db2.gz CVKBRWCXRSKXOV-GFCCVEGCSA-N 1 0 266.816 4.001 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)Cc2cccs2)c(Cl)c1 ZINC000061695112 524864324 /nfs/dbraw/zinc/86/43/24/524864324.db2.gz DVPYRPYRQJSIEI-JTQLQIEISA-N 1 0 280.824 4.058 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)[C@@H](C)c2cccs2)c(F)c1 ZINC000049727356 524864558 /nfs/dbraw/zinc/86/45/58/524864558.db2.gz SZSSZPCUTAEYPD-QWRGUYRKSA-N 1 0 278.396 4.104 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)c1cccs1 ZINC000037235126 525531564 /nfs/dbraw/zinc/53/15/64/525531564.db2.gz TWQKMIIHGLNNOK-STQMWFEESA-N 1 0 274.433 4.226 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000094617209 525607404 /nfs/dbraw/zinc/60/74/04/525607404.db2.gz RRMBCPFJCBOIJM-VHSXEESVSA-N 1 0 295.304 4.221 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC000036953025 525747841 /nfs/dbraw/zinc/74/78/41/525747841.db2.gz FGNVPALINUUGOC-VXGBXAGGSA-N 1 0 291.341 4.391 10 10 CICERO C[C@@H](c1cccs1)N(C)c1ccc(C[NH3+])cc1Cl ZINC000062793044 526147334 /nfs/dbraw/zinc/14/73/34/526147334.db2.gz UZMBBXNGFHNNOH-JTQLQIEISA-N 1 0 280.824 4.058 10 10 CICERO C[C@H]([NH2+]C1CCCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550893 570408280 /nfs/dbraw/zinc/40/82/80/570408280.db2.gz KLALMEHGHCIDJP-AWEZNQCLSA-N 1 0 290.426 4.409 10 10 CICERO CCC(CC)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000104435908 186000906 /nfs/dbraw/zinc/00/09/06/186000906.db2.gz TVUYZSAGOUEQQF-KBPBESRZSA-N 1 0 262.441 4.228 10 10 CICERO CCC(CC)[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000104435906 186001397 /nfs/dbraw/zinc/00/13/97/186001397.db2.gz TVUYZSAGOUEQQF-KGLIPLIRSA-N 1 0 262.441 4.228 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1cc(O)ccc1O)c1cccc(Cl)c1 ZINC000020124274 171006475 /nfs/dbraw/zinc/00/64/75/171006475.db2.gz HRKZVIJEMSJRLD-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccc2C)c(O)c1 ZINC000020126367 171010637 /nfs/dbraw/zinc/01/06/37/171010637.db2.gz DZPKEKOOLMLFPB-KGLIPLIRSA-N 1 0 285.387 4.121 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148070 171035233 /nfs/dbraw/zinc/03/52/33/171035233.db2.gz MBIQDCQHXAXCSN-STQMWFEESA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccs2)c(O)c1 ZINC000020148621 171036556 /nfs/dbraw/zinc/03/65/56/171036556.db2.gz DRQBDLOADPBTFD-RYUDHWBXSA-N 1 0 261.390 4.174 10 10 CICERO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020550983 171247011 /nfs/dbraw/zinc/24/70/11/171247011.db2.gz FHXKOMAIYCIRLC-CYBMUJFWSA-N 1 0 276.399 4.019 10 10 CICERO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020566240 171254350 /nfs/dbraw/zinc/25/43/50/171254350.db2.gz LOTSTPSNYXGJDY-DYVFJYSZSA-N 1 0 269.388 4.214 10 10 CICERO CC(C)CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000021034071 171292421 /nfs/dbraw/zinc/29/24/21/171292421.db2.gz GIYPCUSAHZLCMP-LBPRGKRZSA-N 1 0 269.816 4.350 10 10 CICERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C1CCC(C)CC1 ZINC000021056823 171295808 /nfs/dbraw/zinc/29/58/08/171295808.db2.gz CYBSWSZAIZFYMV-CDFKWJNJSA-N 1 0 273.420 4.417 10 10 CICERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCC(C)CC1 ZINC000021056814 171296098 /nfs/dbraw/zinc/29/60/98/171296098.db2.gz CYBSWSZAIZFYMV-CPWXKJDLSA-N 1 0 273.420 4.417 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c1 ZINC000035628907 172308305 /nfs/dbraw/zinc/30/83/05/172308305.db2.gz ODVLOLSLUPMRFT-CHWSQXEVSA-N 1 0 273.351 4.252 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(CC(C)C)C(C)C)cc1 ZINC000042584846 174807469 /nfs/dbraw/zinc/80/74/69/174807469.db2.gz UJODUWZQRGCWIE-HNNXBMFYSA-N 1 0 262.441 4.228 10 10 CICERO c1ccc2c(c1)CN(c1ccc(C[NH2+]C3CCCC3)cc1)C2 ZINC000072236218 176345915 /nfs/dbraw/zinc/34/59/15/176345915.db2.gz SCHQCRMKOOGJQU-UHFFFAOYSA-N 1 0 292.426 4.239 10 10 CICERO CC[C@@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)c(C)c1 ZINC000050581927 522065385 /nfs/dbraw/zinc/06/53/85/522065385.db2.gz VJRGKDSHUGXELK-CQSZACIVSA-N 1 0 262.441 4.118 10 10 CICERO CC[C@H](C)N(CC)c1ccc(C[NH2+]C(C)C)cc1C ZINC000050560204 523935267 /nfs/dbraw/zinc/93/52/67/523935267.db2.gz LJBUEZYXAIQLFP-HNNXBMFYSA-N 1 0 262.441 4.118 10 10 CICERO CC[C@H](C)N(CC)c1ccc([C@@H](C)[NH3+])cc1Br ZINC000061694962 523935705 /nfs/dbraw/zinc/93/57/05/523935705.db2.gz VGVXMAFWDBPQNQ-WDEREUQCSA-N 1 0 299.256 4.094 10 10 CICERO C[C@H]([NH3+])c1ccc(N(C)[C@@H](C)C(C)(C)C)c(Cl)c1 ZINC000061697825 524863710 /nfs/dbraw/zinc/86/37/10/524863710.db2.gz OGWVRUKWGITUSH-QWRGUYRKSA-N 1 0 268.832 4.231 10 10 CICERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccs2)c(Cl)c1 ZINC000061695113 525027474 /nfs/dbraw/zinc/02/74/74/525027474.db2.gz DVPYRPYRQJSIEI-SNVBAGLBSA-N 1 0 280.824 4.058 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCCCC2)c1 ZINC000052333171 525364723 /nfs/dbraw/zinc/36/47/23/525364723.db2.gz JMWIMMZQWSMQFG-KGLIPLIRSA-N 1 0 261.409 4.320 10 10 CICERO [NH3+]Cc1ccc(N(Cc2ccsc2)C2CC2)cc1Cl ZINC000061846036 527254683 /nfs/dbraw/zinc/25/46/83/527254683.db2.gz PCZNWBIFHUNQQI-UHFFFAOYSA-N 1 0 292.835 4.029 10 10 CICERO CC(C)[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000035709561 567215913 /nfs/dbraw/zinc/21/59/13/567215913.db2.gz YPQZVEUHDNDZOP-UONOGXRCSA-N 1 0 278.415 4.121 10 10 CICERO CC(C)[NH2+][C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569965 570408263 /nfs/dbraw/zinc/40/82/63/570408263.db2.gz YPQZVEUHDNDZOP-ZIAGYGMSSA-N 1 0 278.415 4.121 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(CC)CC(C)C)c(Cl)c1 ZINC000104184597 185918364 /nfs/dbraw/zinc/91/83/64/185918364.db2.gz LJRYKEXNLAPBCX-CYBMUJFWSA-N 1 0 282.859 4.493 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)c1ccc(O)cc1O ZINC000020121960 171001939 /nfs/dbraw/zinc/00/19/39/171001939.db2.gz IVJYGDLOGOHFFS-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO CCCCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020582611 171257480 /nfs/dbraw/zinc/25/74/80/171257480.db2.gz ZMXQUJBRXWSYTN-AWEZNQCLSA-N 1 0 278.415 4.267 10 10 CICERO CN(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)cc1 ZINC000021033426 171292018 /nfs/dbraw/zinc/29/20/18/171292018.db2.gz JEUBUZJKYOXKJT-QZTJIDSGSA-N 1 0 288.479 4.447 10 10 CICERO CC(C)CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000021034066 171292308 /nfs/dbraw/zinc/29/23/08/171292308.db2.gz GIYPCUSAHZLCMP-GFCCVEGCSA-N 1 0 269.816 4.350 10 10 CICERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021513928 171311643 /nfs/dbraw/zinc/31/16/43/171311643.db2.gz MLWGIIKHQYGIEA-GOEBONIOSA-N 1 0 262.441 4.057 10 10 CICERO CCN(CC)c1ccc(C[NH2+][C@@H](C)CCC(C)C)cc1 ZINC000021815971 171332564 /nfs/dbraw/zinc/33/25/64/171332564.db2.gz JEQYHFIJXHIBSK-INIZCTEOSA-N 1 0 276.468 4.447 10 10 CICERO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035257128 172087444 /nfs/dbraw/zinc/08/74/44/172087444.db2.gz FDRODDVVQOHRMR-HOTGVXAUSA-N 1 0 261.409 4.062 10 10 CICERO COc1ccc(C[NH2+]C(C)(C)CC(C)(C)C)cc1C ZINC000035257302 172087979 /nfs/dbraw/zinc/08/79/79/172087979.db2.gz OTFMWXDTFIMNRT-UHFFFAOYSA-N 1 0 263.425 4.308 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCc3ccccc32)c1 ZINC000035628832 172307968 /nfs/dbraw/zinc/30/79/68/172307968.db2.gz NXVHKDHUTSQQLX-GUYCJALGSA-N 1 0 267.372 4.039 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccccc2C)c1 ZINC000035628811 172308375 /nfs/dbraw/zinc/30/83/75/172308375.db2.gz PACJSXOMSCVIOE-HUUCEWRRSA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000035738780 172392731 /nfs/dbraw/zinc/39/27/31/172392731.db2.gz RFJGDVVKXGKQTD-AGIUHOORSA-N 1 0 271.360 4.193 10 10 CICERO C[C@@H]([NH3+])c1ccc(N(C)C2CCCCCC2)c(F)c1 ZINC000036328668 172612803 /nfs/dbraw/zinc/61/28/03/172612803.db2.gz UPCCZMPDAATOHX-GFCCVEGCSA-N 1 0 264.388 4.004 10 10 CICERO CC[C@H]([NH3+])[C@H](Sc1nccs1)c1cccc(Cl)c1 ZINC000043019648 174944664 /nfs/dbraw/zinc/94/46/64/174944664.db2.gz KCKDFYLGYYFMLV-NWDGAFQWSA-N 1 0 298.864 4.367 10 10 CICERO CC(C)CN(c1ccc([C@H](C)[NH3+])cc1Cl)C(C)C ZINC000061697702 519718981 /nfs/dbraw/zinc/71/89/81/519718981.db2.gz QUABQPQIHHAGJH-LBPRGKRZSA-N 1 0 268.832 4.231 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N2CC[C@H](C)C2)c(Cl)c1 ZINC000061696142 520066008 /nfs/dbraw/zinc/06/60/08/520066008.db2.gz RLRQLHWTPKLQHF-QWHCGFSZSA-N 1 0 280.843 4.247 10 10 CICERO CCCCN(CC)c1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000061694219 520484293 /nfs/dbraw/zinc/48/42/93/520484293.db2.gz ZQGYUJKGGWJWLC-LBPRGKRZSA-N 1 0 268.832 4.247 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000037280545 525942644 /nfs/dbraw/zinc/94/26/44/525942644.db2.gz HSUVFICTQZEZRE-KGLIPLIRSA-N 1 0 272.392 4.066 10 10 CICERO CC(C)C[NH2+][C@@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000248216082 566925564 /nfs/dbraw/zinc/92/55/64/566925564.db2.gz GGRIKQMONBPBMR-GJZGRUSLSA-N 1 0 292.442 4.369 10 10 CICERO CC(C)C[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569979 570408397 /nfs/dbraw/zinc/40/83/97/570408397.db2.gz GGRIKQMONBPBMR-CABCVRRESA-N 1 0 292.442 4.369 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1cccc(Cl)c1 ZINC000020124272 171006150 /nfs/dbraw/zinc/00/61/50/171006150.db2.gz HRKZVIJEMSJRLD-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1ccc(O)cc1O ZINC000020124255 171006326 /nfs/dbraw/zinc/00/63/26/171006326.db2.gz GKDFDJPDZAKMMY-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccc(Cl)c1 ZINC000020124253 171006609 /nfs/dbraw/zinc/00/66/09/171006609.db2.gz GKDFDJPDZAKMMY-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1cccc(Cl)c1 ZINC000020124252 171006693 /nfs/dbraw/zinc/00/66/93/171006693.db2.gz GKDFDJPDZAKMMY-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020468541 171210176 /nfs/dbraw/zinc/21/01/76/171210176.db2.gz VGQGHKIACOQZOZ-AWEZNQCLSA-N 1 0 278.415 4.123 10 10 CICERO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020566242 171254371 /nfs/dbraw/zinc/25/43/71/171254371.db2.gz LOTSTPSNYXGJDY-CXAGYDPISA-N 1 0 269.388 4.214 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020595293 171263898 /nfs/dbraw/zinc/26/38/98/171263898.db2.gz RRSXMUMDCPNEOD-CQSZACIVSA-N 1 0 278.415 4.267 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(C)C2CCCCC2)cc1 ZINC000034839168 171883520 /nfs/dbraw/zinc/88/35/20/171883520.db2.gz SOFRYPAIMXRLJS-CQSZACIVSA-N 1 0 260.425 4.126 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N(C)C2CCCC2)cc1 ZINC000034841225 171884698 /nfs/dbraw/zinc/88/46/98/171884698.db2.gz VKGOCULRNAVOGT-AWEZNQCLSA-N 1 0 260.425 4.126 10 10 CICERO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035257130 172087709 /nfs/dbraw/zinc/08/77/09/172087709.db2.gz FDRODDVVQOHRMR-JKSUJKDBSA-N 1 0 261.409 4.062 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(C)Cc2ccsc2)cc1 ZINC000035719344 172373874 /nfs/dbraw/zinc/37/38/74/172373874.db2.gz UAHPPJZYCBOPAO-CYBMUJFWSA-N 1 0 274.433 4.055 10 10 CICERO CC(C)C[C@H](C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037264348 173073135 /nfs/dbraw/zinc/07/31/35/173073135.db2.gz ORCUDPAJZXEFLJ-ZDUSSCGKSA-N 1 0 257.377 4.070 10 10 CICERO CCCCC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037267168 173077629 /nfs/dbraw/zinc/07/76/29/173077629.db2.gz OWOXAXVYNNUKRE-LSDHHAIUSA-N 1 0 262.441 4.372 10 10 CICERO CC[C@@H]([NH3+])[C@@H](Sc1nccs1)c1cccc(Cl)c1 ZINC000043019653 174944726 /nfs/dbraw/zinc/94/47/26/174944726.db2.gz KCKDFYLGYYFMLV-NEPJUHHUSA-N 1 0 298.864 4.367 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccc(Cl)s2)c1 ZINC000071407528 176156160 /nfs/dbraw/zinc/15/61/60/176156160.db2.gz JXCMFYNXFLHLON-SNVBAGLBSA-N 1 0 281.808 4.266 10 10 CICERO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C1CCCCC1 ZINC000071409216 176156889 /nfs/dbraw/zinc/15/68/89/176156889.db2.gz HKGXLECXPTUNDC-MRXNPFEDSA-N 1 0 261.409 4.149 10 10 CICERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000130438596 260396365 /nfs/dbraw/zinc/39/63/65/260396365.db2.gz DBVUKQZVXDXGMA-CXAGYDPISA-N 1 0 267.372 4.120 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CC[C@H](C)C2)c(Cl)c1 ZINC000061696141 519988711 /nfs/dbraw/zinc/98/87/11/519988711.db2.gz RLRQLHWTPKLQHF-STQMWFEESA-N 1 0 280.843 4.247 10 10 CICERO CCC[C@H](C)N(C)c1ccc(C[NH2+]C(C)C)c(C)c1 ZINC000050582334 521036715 /nfs/dbraw/zinc/03/67/15/521036715.db2.gz QVMPIHATTYRMSD-HNNXBMFYSA-N 1 0 262.441 4.118 10 10 CICERO CCCC1CCN(c2ccc([C@H](C)[NH3+])cc2Cl)CC1 ZINC000061698146 519904037 /nfs/dbraw/zinc/90/40/37/519904037.db2.gz LXGFBPLZXNFFCP-LBPRGKRZSA-N 1 0 280.843 4.376 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N(C)C(C)C)c(Cl)c1 ZINC000061694272 519989027 /nfs/dbraw/zinc/98/90/27/519989027.db2.gz ZOUMLIUNFCYYCL-LBPRGKRZSA-N 1 0 268.832 4.245 10 10 CICERO CCN(c1ccc(C[NH2+]C(C)(C)C)c(C)c1)C(C)C ZINC000050581763 521486596 /nfs/dbraw/zinc/48/65/96/521486596.db2.gz XWBMWRZENIBLII-UHFFFAOYSA-N 1 0 262.441 4.118 10 10 CICERO C[NH2+][C@@H](C)c1ccc(Sc2nccs2)c(Cl)c1 ZINC000061700295 522334703 /nfs/dbraw/zinc/33/47/03/522334703.db2.gz DOCSPZXWTASARU-QMMMGPOBSA-N 1 0 284.837 4.228 10 10 CICERO CC[C@H]([NH2+][C@H](C)c1ccccc1O)c1cccs1 ZINC000049528874 522741802 /nfs/dbraw/zinc/74/18/02/522741802.db2.gz ZMFBOEOHVREPIO-YPMHNXCESA-N 1 0 261.390 4.256 10 10 CICERO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccs1 ZINC000049528873 522913354 /nfs/dbraw/zinc/91/33/54/522913354.db2.gz ZMFBOEOHVREPIO-WCQYABFASA-N 1 0 261.390 4.256 10 10 CICERO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C1CCCCC1 ZINC000052335442 522937537 /nfs/dbraw/zinc/93/75/37/522937537.db2.gz MRYFOABJUBLXFM-CZUORRHYSA-N 1 0 261.409 4.402 10 10 CICERO C[C@H]1C[C@H](C)CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000062734628 524887678 /nfs/dbraw/zinc/88/76/78/524887678.db2.gz NTEFIQIQAIGZQC-GJZGRUSLSA-N 1 0 274.452 4.057 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCCCC2)c1 ZINC000052333167 525364288 /nfs/dbraw/zinc/36/42/88/525364288.db2.gz JMWIMMZQWSMQFG-KBPBESRZSA-N 1 0 261.409 4.320 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000094617210 525658490 /nfs/dbraw/zinc/65/84/90/525658490.db2.gz RRMBCPFJCBOIJM-NXEZZACHSA-N 1 0 295.304 4.221 10 10 CICERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550891 570408253 /nfs/dbraw/zinc/40/82/53/570408253.db2.gz KLALMEHGHCIDJP-CQSZACIVSA-N 1 0 290.426 4.409 10 10 CICERO CC(C)C[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572052 570408330 /nfs/dbraw/zinc/40/83/30/570408330.db2.gz QTARBNQVLAOQJX-OAHLLOKOSA-N 1 0 292.442 4.369 10 10 CICERO CN(C)c1ccc(/C=C/c2ccc([N+](C)(C)C)cc2)cc1 ZINC000005140516 717098321 /nfs/dbraw/zinc/09/83/21/717098321.db2.gz RYNLZGMLICSCGW-VOTSOKGWSA-N 1 0 281.423 4.120 10 10 CICERO C[NH2+][C@H](C)c1ccc(N(C)[C@@H](C)CC(C)C)c(Cl)c1 ZINC000104173659 185916830 /nfs/dbraw/zinc/91/68/30/185916830.db2.gz GWHYMJMEZJPWIX-QWHCGFSZSA-N 1 0 282.859 4.491 10 10 CICERO CCn1c2ccccc2[o+]c1CC=CC=Nc1ccccc1 ZINC000005140256 170070405 /nfs/dbraw/zinc/07/04/05/170070405.db2.gz QVEXMONPFWLPDR-UHFFFAOYSA-O 1 0 291.374 4.379 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1O ZINC000020124063 171005632 /nfs/dbraw/zinc/00/56/32/171005632.db2.gz PMDHVMATHAWJEX-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1cc(O)ccc1O ZINC000020124084 171005928 /nfs/dbraw/zinc/00/59/28/171005928.db2.gz WQKVCFORRFEEND-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccc2C)c(O)c1 ZINC000020126366 171010557 /nfs/dbraw/zinc/01/05/57/171010557.db2.gz DZPKEKOOLMLFPB-ZIAGYGMSSA-N 1 0 285.387 4.121 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3ccccc32)c(O)c1 ZINC000020130132 171018833 /nfs/dbraw/zinc/01/88/33/171018833.db2.gz IWGGBDIKLMWJEF-DYVFJYSZSA-N 1 0 267.372 4.039 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148069 171035300 /nfs/dbraw/zinc/03/53/00/171035300.db2.gz MBIQDCQHXAXCSN-OLZOCXBDSA-N 1 0 273.351 4.252 10 10 CICERO CC[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)c1ccccc1O ZINC000020147956 171035577 /nfs/dbraw/zinc/03/55/77/171035577.db2.gz ZAMWAOJTKSOUJA-BLLLJJGKSA-N 1 0 273.351 4.333 10 10 CICERO CC[C@H]([NH2+][C@H](C)c1cccs1)c1ccccc1O ZINC000020148421 171036346 /nfs/dbraw/zinc/03/63/46/171036346.db2.gz ASPYCDFKPRYGCN-YPMHNXCESA-N 1 0 261.390 4.256 10 10 CICERO CCCCN(CCCC)c1ccc([C@@H](C)[NH3+])cc1F ZINC000020485732 171225111 /nfs/dbraw/zinc/22/51/11/171225111.db2.gz CIGNCVTYGDZICO-CYBMUJFWSA-N 1 0 266.404 4.252 10 10 CICERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000020523248 171236043 /nfs/dbraw/zinc/23/60/43/171236043.db2.gz IQQCKOHRBMWQON-OLZOCXBDSA-N 1 0 257.377 4.241 10 10 CICERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000020523254 171236070 /nfs/dbraw/zinc/23/60/70/171236070.db2.gz IQQCKOHRBMWQON-QWHCGFSZSA-N 1 0 257.377 4.241 10 10 CICERO CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021513926 171311662 /nfs/dbraw/zinc/31/16/62/171311662.db2.gz MLWGIIKHQYGIEA-GDBMZVCRSA-N 1 0 262.441 4.057 10 10 CICERO CC[C@@H](C)C[C@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021513930 171311676 /nfs/dbraw/zinc/31/16/76/171311676.db2.gz MLWGIIKHQYGIEA-ZBFHGGJFSA-N 1 0 262.441 4.057 10 10 CICERO CC(C)CCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021515266 171311879 /nfs/dbraw/zinc/31/18/79/171311879.db2.gz LQJKKBXUZAHWOB-OAHLLOKOSA-N 1 0 262.441 4.057 10 10 CICERO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1cccs1 ZINC000035016983 171934507 /nfs/dbraw/zinc/93/45/07/171934507.db2.gz YDEPHGUUVYMBET-KRWDZBQOSA-N 1 0 288.460 4.301 10 10 CICERO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2)c1 ZINC000035628746 172307807 /nfs/dbraw/zinc/30/78/07/172307807.db2.gz IBCYMUBKXUUNAU-OLZOCXBDSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(Cl)s2)c1 ZINC000071407527 176156206 /nfs/dbraw/zinc/15/62/06/176156206.db2.gz JXCMFYNXFLHLON-JTQLQIEISA-N 1 0 281.808 4.266 10 10 CICERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)c2ccccc21 ZINC000130438156 260396277 /nfs/dbraw/zinc/39/62/77/260396277.db2.gz DBVUKQZVXDXGMA-DYVFJYSZSA-N 1 0 267.372 4.120 10 10 CICERO Cc1ccc(O)c(C[NH2+][C@H]2CC(C)(C)Oc3ccccc32)c1 ZINC000153060866 261073005 /nfs/dbraw/zinc/07/30/05/261073005.db2.gz GISIMJYHIWFYTO-INIZCTEOSA-N 1 0 297.398 4.093 10 10 CICERO CCCN(c1ccc([C@@H](C)[NH2+]C)cc1Cl)C(C)C ZINC000061694840 521697233 /nfs/dbraw/zinc/69/72/33/521697233.db2.gz JJVWMYFKVXZRCY-GFCCVEGCSA-N 1 0 268.832 4.245 10 10 CICERO CN(Cc1ccccc1Cl)c1ccc(C[NH3+])cc1Cl ZINC000062792984 523364142 /nfs/dbraw/zinc/36/41/42/523364142.db2.gz VIWTZQOGXUPOJP-UHFFFAOYSA-N 1 0 295.213 4.089 10 10 CICERO Nc1ccc(Nc2ccc(C(F)(F)F)cc2Cl)nc1 ZINC000111041580 567859576 /nfs/dbraw/zinc/85/95/76/567859576.db2.gz FNMIZQFWQTYPPO-UHFFFAOYSA-N 1 0 287.672 4.080 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)c1cc(O)ccc1O ZINC000020124083 171005705 /nfs/dbraw/zinc/00/57/05/171005705.db2.gz WQKVCFORRFEEND-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccc(O)cc1O)c1ccccc1Cl ZINC000020124065 171005924 /nfs/dbraw/zinc/00/59/24/171005924.db2.gz PMDHVMATHAWJEX-MNOVXSKESA-N 1 0 291.778 4.163 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccc2C)c(O)c1 ZINC000020126355 171010694 /nfs/dbraw/zinc/01/06/94/171010694.db2.gz AIHPERDMZGRZCG-LSDHHAIUSA-N 1 0 269.388 4.421 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148071 171035224 /nfs/dbraw/zinc/03/52/24/171035224.db2.gz MBIQDCQHXAXCSN-CHWSQXEVSA-N 1 0 273.351 4.252 10 10 CICERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(F)c2)c(O)c1 ZINC000020148072 171035304 /nfs/dbraw/zinc/03/53/04/171035304.db2.gz MBIQDCQHXAXCSN-QWHCGFSZSA-N 1 0 273.351 4.252 10 10 CICERO CN(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)cc1 ZINC000021033419 171291887 /nfs/dbraw/zinc/29/18/87/171291887.db2.gz JEUBUZJKYOXKJT-ROUUACIJSA-N 1 0 288.479 4.447 10 10 CICERO CC(C)CCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021515268 171311843 /nfs/dbraw/zinc/31/18/43/171311843.db2.gz LQJKKBXUZAHWOB-HNNXBMFYSA-N 1 0 262.441 4.057 10 10 CICERO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035257129 172087460 /nfs/dbraw/zinc/08/74/60/172087460.db2.gz FDRODDVVQOHRMR-HZPDHXFCSA-N 1 0 261.409 4.062 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c1 ZINC000035628909 172308154 /nfs/dbraw/zinc/30/81/54/172308154.db2.gz LNRTTZAVZFVZNL-NEPJUHHUSA-N 1 0 261.390 4.174 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(C)Cc2ccsc2)cc1 ZINC000035719343 172373895 /nfs/dbraw/zinc/37/38/95/172373895.db2.gz UAHPPJZYCBOPAO-ZDUSSCGKSA-N 1 0 274.433 4.055 10 10 CICERO CC(C)C[C@@H](C)[NH2+]Cc1c(O)ccc2ccccc21 ZINC000037264347 173073195 /nfs/dbraw/zinc/07/31/95/173073195.db2.gz ORCUDPAJZXEFLJ-CYBMUJFWSA-N 1 0 257.377 4.070 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)CC(C)C)cc1 ZINC000042584613 174807320 /nfs/dbraw/zinc/80/73/20/174807320.db2.gz QIDLFAOBTHFYHT-GJZGRUSLSA-N 1 0 262.441 4.228 10 10 CICERO Cc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(C)c2O)o1 ZINC000181394686 261896423 /nfs/dbraw/zinc/89/64/23/261896423.db2.gz FQAYOADJXOBXAQ-NSHDSACASA-N 1 0 279.767 4.106 10 10 CICERO CCN(CC(F)(F)F)c1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061697839 520422639 /nfs/dbraw/zinc/42/26/39/520422639.db2.gz MHSNJZPOJJMYTQ-SECBINFHSA-N 1 0 294.748 4.009 10 10 CICERO CCC(CC)N(C)c1ccc(C[NH2+]C(C)C)c(C)c1 ZINC000050582318 521545407 /nfs/dbraw/zinc/54/54/07/521545407.db2.gz BEVQXSFJCITAGM-UHFFFAOYSA-N 1 0 262.441 4.118 10 10 CICERO CCN(CC(C)C)c1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061694938 520414693 /nfs/dbraw/zinc/41/46/93/520414693.db2.gz CEFLPLSVUNWQCV-GFCCVEGCSA-N 1 0 268.832 4.103 10 10 CICERO CCC1(C)CCN(c2ccc([C@H](C)[NH3+])cc2Cl)CC1 ZINC000062954452 521678077 /nfs/dbraw/zinc/67/80/77/521678077.db2.gz RCPQJPYXEIPURO-LBPRGKRZSA-N 1 0 280.843 4.376 10 10 CICERO CC[C@@H](C)N(CC)c1ccc(C[NH2+]C(C)C)cc1C ZINC000050560202 522086438 /nfs/dbraw/zinc/08/64/38/522086438.db2.gz LJBUEZYXAIQLFP-OAHLLOKOSA-N 1 0 262.441 4.118 10 10 CICERO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccs1 ZINC000049528875 522938537 /nfs/dbraw/zinc/93/85/37/522938537.db2.gz ZMFBOEOHVREPIO-DGCLKSJQSA-N 1 0 261.390 4.256 10 10 CICERO C[C@@H]1C[C@@H](C)CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C1 ZINC000062734629 525214893 /nfs/dbraw/zinc/21/48/93/525214893.db2.gz NTEFIQIQAIGZQC-HUUCEWRRSA-N 1 0 274.452 4.057 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc(F)c(F)c1 ZINC000094617208 525604232 /nfs/dbraw/zinc/60/42/32/525604232.db2.gz RRMBCPFJCBOIJM-ZJUUUORDSA-N 1 0 295.304 4.221 10 10 CICERO C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550887 570408229 /nfs/dbraw/zinc/40/82/29/570408229.db2.gz QSIVICFRRIZJJD-CYBMUJFWSA-N 1 0 276.399 4.019 10 10 CICERO CCC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020595279 570408306 /nfs/dbraw/zinc/40/83/06/570408306.db2.gz KYHHOMHDBXUJMC-KGLIPLIRSA-N 1 0 278.415 4.123 10 10 CICERO C[C@H]([NH2+][C@@H](C)c1cc(O)ccc1O)c1ccc(Cl)cc1 ZINC000020121978 171002164 /nfs/dbraw/zinc/00/21/64/171002164.db2.gz WLKGLDQLSKXASH-QWRGUYRKSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1cc(O)ccc1O ZINC000020124085 171005750 /nfs/dbraw/zinc/00/57/50/171005750.db2.gz WQKVCFORRFEEND-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)c1ccc(O)cc1O ZINC000020124062 171005860 /nfs/dbraw/zinc/00/58/60/171005860.db2.gz PMDHVMATHAWJEX-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@H](C)c1ccccc1Cl)c1ccc(O)cc1O ZINC000020124064 171005895 /nfs/dbraw/zinc/00/58/95/171005895.db2.gz PMDHVMATHAWJEX-GHMZBOCLSA-N 1 0 291.778 4.163 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cccc(Cl)c1)c1cc(O)ccc1O ZINC000020124275 171006023 /nfs/dbraw/zinc/00/60/23/171006023.db2.gz HRKZVIJEMSJRLD-WDEREUQCSA-N 1 0 291.778 4.163 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3ccccc32)c(O)c1 ZINC000020130134 171019118 /nfs/dbraw/zinc/01/91/18/171019118.db2.gz IWGGBDIKLMWJEF-GUYCJALGSA-N 1 0 267.372 4.039 10 10 CICERO CC(C)CC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020468543 171210132 /nfs/dbraw/zinc/21/01/32/171210132.db2.gz VGQGHKIACOQZOZ-CQSZACIVSA-N 1 0 278.415 4.123 10 10 CICERO CC(C)[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020549728 171246572 /nfs/dbraw/zinc/24/65/72/171246572.db2.gz WUCLAVLUWQKGPZ-CQSZACIVSA-N 1 0 278.415 4.265 10 10 CICERO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc1 ZINC000034991807 171917946 /nfs/dbraw/zinc/91/79/46/171917946.db2.gz VGPXVXFRPABNKX-KVSKMBFKSA-N 1 0 286.463 4.057 10 10 CICERO CCCCCC[C@H](C)[NH2+][C@H](C)c1cc(O)ccc1O ZINC000037138936 172977833 /nfs/dbraw/zinc/97/78/33/172977833.db2.gz XOYBZVUJJPVJAP-QWHCGFSZSA-N 1 0 265.397 4.107 10 10 CICERO CCCCN(c1ccc([C@@H](C)[NH3+])cc1F)[C@@H](C)CC ZINC000042608054 174820774 /nfs/dbraw/zinc/82/07/74/174820774.db2.gz SBFDQGRTFJOVLC-QWHCGFSZSA-N 1 0 266.404 4.250 10 10 CICERO CC[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)C(C)(C)C)cc1 ZINC000042768715 174869848 /nfs/dbraw/zinc/86/98/48/174869848.db2.gz MBKUSRZQFRLGFU-KBPBESRZSA-N 1 0 262.441 4.228 10 10 CICERO CC[NH2+][C@H](C)c1ccc(N(CC)C(C)C)c(Cl)c1 ZINC000061694780 520178567 /nfs/dbraw/zinc/17/85/67/520178567.db2.gz KNXOIPFXCPEMPX-GFCCVEGCSA-N 1 0 268.832 4.245 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N(C)C(C)C)c(Cl)c1 ZINC000061694273 520065447 /nfs/dbraw/zinc/06/54/47/520065447.db2.gz ZOUMLIUNFCYYCL-GFCCVEGCSA-N 1 0 268.832 4.245 10 10 CICERO CCC[NH2+][C@H](C)c1ccc(N(C)CCC)c(Cl)c1 ZINC000061694875 520065835 /nfs/dbraw/zinc/06/58/35/520065835.db2.gz IJQASPZLEAPZHP-GFCCVEGCSA-N 1 0 268.832 4.247 10 10 CICERO CCN(CC(F)(F)F)c1ccc([C@H](C)[NH2+]C)cc1Cl ZINC000061697840 520422461 /nfs/dbraw/zinc/42/24/61/520422461.db2.gz MHSNJZPOJJMYTQ-VIFPVBQESA-N 1 0 294.748 4.009 10 10 CICERO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1cccs1 ZINC000049529020 522871527 /nfs/dbraw/zinc/87/15/27/522871527.db2.gz UDWHEHWEGWFVJB-GFCCVEGCSA-N 1 0 281.808 4.348 10 10 CICERO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCCCC2)c1 ZINC000052333170 525362628 /nfs/dbraw/zinc/36/26/28/525362628.db2.gz JMWIMMZQWSMQFG-ZIAGYGMSSA-N 1 0 261.409 4.320 10 10 CICERO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1cccs1 ZINC000094616962 525604549 /nfs/dbraw/zinc/60/45/49/525604549.db2.gz ROGCAJZXDVLEJC-VHSXEESVSA-N 1 0 265.353 4.005 10 10 CICERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2)c(O)c1 ZINC000036953026 525942148 /nfs/dbraw/zinc/94/21/48/525942148.db2.gz FGNVPALINUUGOC-NEPJUHHUSA-N 1 0 291.341 4.391 10 10 CICERO CC(C)C[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572051 570408355 /nfs/dbraw/zinc/40/83/55/570408355.db2.gz QTARBNQVLAOQJX-HNNXBMFYSA-N 1 0 292.442 4.369 10 10 CICERO