smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCOc1c(Br)cc(C[NH2+]CC(C)C)cc1Br ZINC000020926818 209191352 /nfs/dbraw/zinc/19/13/52/209191352.db2.gz OJHPPWWXXZEETI-UHFFFAOYSA-N 1 0 379.136 4.746 10 0 GJAERO O=C(Nc1ccc(F)c(F)c1)[C@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000012078914 204370998 /nfs/dbraw/zinc/37/09/98/204370998.db2.gz XWBZXBTXIXHOSE-GOSISDBHSA-N 1 0 396.437 4.952 10 0 GJAERO CCCC(=O)N(c1ccc(OC)c(OC)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000037559435 205028823 /nfs/dbraw/zinc/02/88/23/205028823.db2.gz HCXZWSSDSFPMPX-UHFFFAOYSA-N 1 0 396.531 4.502 10 0 GJAERO CC(=O)c1cc(C[NH2+][C@H]2CCCc3c2cnn3-c2ccc(C)c(C)c2)cs1 ZINC000020598228 210350329 /nfs/dbraw/zinc/35/03/29/210350329.db2.gz VOBMCYJFGAFBCG-FQEVSTJZSA-N 1 0 379.529 4.920 10 0 GJAERO COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000020476827 570261383 /nfs/dbraw/zinc/26/13/83/570261383.db2.gz IYIKODKGXFIZHU-NRFANRHFSA-N 1 0 397.902 4.751 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]CCCOC(C)C)cc1OCC ZINC000020932619 570285337 /nfs/dbraw/zinc/28/53/37/570285337.db2.gz PKSVVMQINIPATG-UHFFFAOYSA-N 1 0 388.346 4.541 10 0 GJAERO CCOc1cc(C[NH2+]C[C@@H]2CCCN2CC)ccc1OCc1ccc(C)cc1 ZINC000022936769 570338591 /nfs/dbraw/zinc/33/85/91/570338591.db2.gz BQHMIVWASWZVRM-QFIPXVFZSA-N 1 0 382.548 4.547 10 0 GJAERO CC(C)(CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315496 570568198 /nfs/dbraw/zinc/56/81/98/570568198.db2.gz OEWTWFBFAJTJBI-UHFFFAOYSA-N 1 0 377.315 4.857 10 0 GJAERO COc1cc(OC)cc([C@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c1 ZINC000036347436 570628589 /nfs/dbraw/zinc/62/85/89/570628589.db2.gz YKEHJYIOMGCBNT-DEOSSOPVSA-N 1 0 376.500 4.809 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(Br)ccc1Cl ZINC000675055816 570900985 /nfs/dbraw/zinc/90/09/85/570900985.db2.gz ZALXQJGXZRCNML-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO COCCC[NH2+]Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000013722490 210083783 /nfs/dbraw/zinc/08/37/83/210083783.db2.gz YTQVCCPGKNMQQP-UHFFFAOYSA-N 1 0 384.303 4.707 10 0 GJAERO C[NH+](C)CCOc1cccc(/C(=C(\CCO)c2ccccc2)c2ccccc2)c1 ZINC000065743026 212076085 /nfs/dbraw/zinc/07/60/85/212076085.db2.gz AHOZEWCCWHNZBI-OCEACIFDSA-N 1 0 387.523 4.969 10 0 in-vitro GJAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013727011 204508379 /nfs/dbraw/zinc/50/83/79/204508379.db2.gz CFEXCTZFEPYQAP-UHFFFAOYSA-N 1 0 395.902 4.709 10 0 GJAERO [NH3+][C@@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000095077382 211218442 /nfs/dbraw/zinc/21/84/42/211218442.db2.gz OVDLVFUAQPWHRU-IAGOWNOFSA-N 1 0 399.336 4.529 10 0 GJAERO Clc1cccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)c1 ZINC000073684350 526972904 /nfs/dbraw/zinc/97/29/04/526972904.db2.gz YAMDMYBVLIOJDJ-UHFFFAOYSA-N 1 0 378.907 4.876 10 0 GJAERO FC(F)(F)c1ccc(-c2nc(N[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685225 527680943 /nfs/dbraw/zinc/68/09/43/527680943.db2.gz NLLJPTQTVPSFJL-GOSISDBHSA-N 1 0 398.432 4.993 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccccc2F)cc1OC ZINC000020932888 570288277 /nfs/dbraw/zinc/28/82/77/570288277.db2.gz YXRCRWSKYSWIOK-UHFFFAOYSA-N 1 0 396.300 4.718 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cccc(Br)c1Cl ZINC000675052749 570301802 /nfs/dbraw/zinc/30/18/02/570301802.db2.gz DFVLMNAFVSMPAM-ZWNOBZJWSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Br ZINC000675053160 570306267 /nfs/dbraw/zinc/30/62/67/570306267.db2.gz GVYJEAXDIDXLCW-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO Cc1n[nH]c(C)c1C[NH2+]Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1 ZINC000011843270 570587727 /nfs/dbraw/zinc/58/77/27/570587727.db2.gz YSYGBUKPWQPMSW-UHFFFAOYSA-N 1 0 389.478 4.617 10 0 GJAERO Fc1ccccc1-n1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000012386678 570625167 /nfs/dbraw/zinc/62/51/67/570625167.db2.gz OVFQBRSWCSIAQP-GOSISDBHSA-N 1 0 387.405 4.780 10 0 GJAERO CC[NH+](CC)CCCNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000013734142 210085637 /nfs/dbraw/zinc/08/56/37/210085637.db2.gz IAMPGMNQGOMSEH-UHFFFAOYSA-N 1 0 390.955 4.749 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(F)cc1Cl ZINC000013721902 210083863 /nfs/dbraw/zinc/08/38/63/210083863.db2.gz RIGHFRSUHLUXJT-UHFFFAOYSA-N 1 0 395.902 4.971 10 0 GJAERO CCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccccc1Cl ZINC000013717507 210082573 /nfs/dbraw/zinc/08/25/73/210082573.db2.gz OUZZDISGWXHDIE-UHFFFAOYSA-N 1 0 377.912 4.834 10 0 GJAERO CCOc1cccc(C[NH2+][C@H](CC)CO)c1OCc1ccc(Cl)cc1Cl ZINC000013717467 210082278 /nfs/dbraw/zinc/08/22/78/210082278.db2.gz HSJOPXWNLMHTAQ-QGZVFWFLSA-N 1 0 398.330 4.832 10 0 GJAERO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccc(Cl)cc1 ZINC000010314011 204333911 /nfs/dbraw/zinc/33/39/11/204333911.db2.gz GLKUPHRLGCXMSI-UHFFFAOYSA-N 1 0 399.922 4.694 10 0 GJAERO Brc1ccc2c(c1)NCCC1(CC[NH+](Cc3ccccc3)CC1)O2 ZINC000096028989 211295153 /nfs/dbraw/zinc/29/51/53/211295153.db2.gz GAIPQNHZHUEHFR-UHFFFAOYSA-N 1 0 387.321 4.678 10 0 GJAERO C[NH2+][C@H](Cc1sccc1Br)c1cccc(Br)c1 ZINC000053823581 210877154 /nfs/dbraw/zinc/87/71/54/210877154.db2.gz IITJRQDZIDIJFL-GFCCVEGCSA-N 1 0 375.129 4.776 10 0 GJAERO CCCOc1c(C[NH2+]Cc2ccc(C)cc2)cc(Br)cc1OC ZINC000020934340 210370468 /nfs/dbraw/zinc/37/04/68/210370468.db2.gz VQUUIQNCGCNLEC-UHFFFAOYSA-N 1 0 378.310 4.845 10 0 GJAERO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000011821189 221129989 /nfs/dbraw/zinc/12/99/89/221129989.db2.gz LUCZPERSXHKXDZ-QGZVFWFLSA-N 1 0 394.902 4.992 10 0 GJAERO CC(C)c1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684932 519833524 /nfs/dbraw/zinc/83/35/24/519833524.db2.gz HZCPZRIJIXWOEH-CQSZACIVSA-N 1 0 378.442 4.697 10 0 GJAERO Clc1cccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)c1 ZINC000073684870 526973095 /nfs/dbraw/zinc/97/30/95/526973095.db2.gz JHYULGZXLGZWEP-INIZCTEOSA-N 1 0 378.907 4.876 10 0 GJAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3cccc(Cl)c3)n2)CC1 ZINC000073684587 527167420 /nfs/dbraw/zinc/16/74/20/527167420.db2.gz KUNCOCKPRJQLPE-UHFFFAOYSA-N 1 0 378.907 4.639 10 0 GJAERO CSc1ccc2c(c1)N(CC[C@H]1CCCC[N@@H+]1C)c1ccccc1[S@]2=O ZINC000005318446 560110994 /nfs/dbraw/zinc/11/09/94/560110994.db2.gz XLDFFVBQCMLXIE-DXPJPUQTSA-N 1 0 386.586 4.901 10 0 biogenic,in-vitro GJAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccccc1OC ZINC000020929477 570288396 /nfs/dbraw/zinc/28/83/96/570288396.db2.gz VRBLHFJPXPSBCL-UHFFFAOYSA-N 1 0 378.310 4.579 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Br ZINC000675053157 570306116 /nfs/dbraw/zinc/30/61/16/570306116.db2.gz GVYJEAXDIDXLCW-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935880 570338343 /nfs/dbraw/zinc/33/83/43/570338343.db2.gz IRFBYZSSYTWIGH-HXUWFJFHSA-N 1 0 388.939 4.502 10 0 GJAERO CCOc1cccc(C[NH2+]CCCCCO)c1OCc1ccccc1Cl ZINC000013727345 570782283 /nfs/dbraw/zinc/78/22/83/570782283.db2.gz HWMRLBSSFGWJMP-UHFFFAOYSA-N 1 0 377.912 4.570 10 0 GJAERO CCOc1cccc(CNCCC[NH2+]C)c1OCc1ccc(Cl)cc1Cl ZINC000013736318 210086960 /nfs/dbraw/zinc/08/69/60/210086960.db2.gz NRDZPEZHAXNJMY-UHFFFAOYSA-N 1 0 397.346 4.670 10 0 GJAERO C[C@H]1CCCC[N@@H+]1CCCOC(=O)c1ccc(OCCc2ccccc2)cc1 ZINC000005751909 204150469 /nfs/dbraw/zinc/15/04/69/204150469.db2.gz QNLGJZLZHRDTBP-FQEVSTJZSA-N 1 0 381.516 4.729 10 0 GJAERO Cc1csc([C@H](C)[NH2+]C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)n1 ZINC000023505896 210448226 /nfs/dbraw/zinc/44/82/26/210448226.db2.gz XSODBAWEXJVMOW-INIZCTEOSA-N 1 0 393.560 4.537 10 0 GJAERO CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874376 210364863 /nfs/dbraw/zinc/36/48/63/210364863.db2.gz VUHSTZKTRUENOV-QHCPKHFHSA-N 1 0 391.511 4.796 10 0 GJAERO Clc1ccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684997 526933883 /nfs/dbraw/zinc/93/38/83/526933883.db2.gz BENZPSBYEAPRKY-MRXNPFEDSA-N 1 0 378.907 4.876 10 0 GJAERO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccccc1 ZINC000034740391 570327293 /nfs/dbraw/zinc/32/72/93/570327293.db2.gz XVIDBDSZUUMNIP-VXKWHMMOSA-N 1 0 384.589 4.777 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805186 570558307 /nfs/dbraw/zinc/55/83/07/570558307.db2.gz FQHPAPCYRHJZEA-CQSZACIVSA-N 1 0 397.744 4.936 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000013718705 570779681 /nfs/dbraw/zinc/77/96/81/570779681.db2.gz HHBLUBPBLZPHMC-UHFFFAOYSA-N 1 0 395.474 4.754 10 0 GJAERO O=C1CCCN1CCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000013727473 210085167 /nfs/dbraw/zinc/08/51/67/210085167.db2.gz AMQDAHSRMYCMCC-UHFFFAOYSA-N 1 0 388.511 4.521 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1OCc1ccccc1F ZINC000013729995 210084103 /nfs/dbraw/zinc/08/41/03/210084103.db2.gz CAHPWHCQTVBUDC-QFIPXVFZSA-N 1 0 395.474 4.627 10 0 GJAERO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2C/C=C\c2ccccc2)ccc1O ZINC000006380987 204176387 /nfs/dbraw/zinc/17/63/87/204176387.db2.gz XOZQFEQVRDICDF-ZCJOVJJBSA-N 1 0 393.527 4.782 10 0 GJAERO CC[C@@H](CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315532 204333896 /nfs/dbraw/zinc/33/38/96/204333896.db2.gz OUTBNARNNLOJDZ-KRWDZBQOSA-N 1 0 377.315 4.857 10 0 GJAERO O=C(Nc1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cc1)C1CCCC1 ZINC000011973906 204366206 /nfs/dbraw/zinc/36/62/06/204366206.db2.gz UHZMFKJVFQAUMC-UHFFFAOYSA-N 1 0 377.532 4.574 10 0 GJAERO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000012320060 204396955 /nfs/dbraw/zinc/39/69/55/204396955.db2.gz IAEKUOAMPIWAPU-UHFFFAOYSA-N 1 0 389.474 4.738 10 0 GJAERO COc1ccc(CC[N@H+](C)C[C@H](c2ccc(OC)cc2)C2(O)CCCCC2)cc1 ZINC000077287251 205357485 /nfs/dbraw/zinc/35/74/85/205357485.db2.gz CJLLEDVZZJHJST-XMMPIXPASA-N 1 0 397.559 4.657 10 0 in-vitro GJAERO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2)cc(Br)c1OC ZINC000013726052 211700966 /nfs/dbraw/zinc/70/09/66/211700966.db2.gz PVEALJSOMOOKFK-AWEZNQCLSA-N 1 0 378.310 4.577 10 0 GJAERO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(C)cc3)cc2)cc1OC ZINC000020873724 210365180 /nfs/dbraw/zinc/36/51/80/210365180.db2.gz NUKRGNFWLNJNOZ-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO CC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OCC)c1 ZINC000020874721 570287851 /nfs/dbraw/zinc/28/78/51/570287851.db2.gz ARGSUXAIYBVKOC-UHFFFAOYSA-N 1 0 378.310 4.845 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cccc(Br)c1Cl ZINC000675052744 570301678 /nfs/dbraw/zinc/30/16/78/570301678.db2.gz DFVLMNAFVSMPAM-GXFFZTMASA-N 1 0 389.721 4.502 10 0 GJAERO Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCCn2ccnc2)c1 ZINC000010314050 570568572 /nfs/dbraw/zinc/56/85/72/570568572.db2.gz BIEZCLFMFODYRZ-UHFFFAOYSA-N 1 0 390.314 4.949 10 0 GJAERO CCOCCC[NH2+]Cc1cccc(OCC)c1OCc1ccc(Cl)cc1 ZINC000013717505 570779606 /nfs/dbraw/zinc/77/96/06/570779606.db2.gz VTCFZDFHRHPOPP-UHFFFAOYSA-N 1 0 377.912 4.834 10 0 GJAERO CCOc1cc(C[NH2+]CCCCCO)ccc1OCc1ccccc1Cl ZINC000013726926 570782313 /nfs/dbraw/zinc/78/23/13/570782313.db2.gz AQHKLXRBYXFZTI-UHFFFAOYSA-N 1 0 377.912 4.570 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)cc1Br ZINC000675055472 570899309 /nfs/dbraw/zinc/89/93/09/570899309.db2.gz SYCCJWFQVAXHBK-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO C[NH+]1CCN(c2nc(-c3cccs3)cc(-c3cc4ccccc4s3)n2)CC1 ZINC000006480816 204180641 /nfs/dbraw/zinc/18/06/41/204180641.db2.gz TVKRPTMUORBLAA-UHFFFAOYSA-N 1 0 392.553 4.839 10 0 GJAERO CCN(CC)C(=O)c1ccc2c(c1)Oc1ccccc1C2=C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000006733483 204197140 /nfs/dbraw/zinc/19/71/40/204197140.db2.gz MISSUZBVOCUXTG-KDURUIRLSA-N 1 0 388.511 4.991 10 0 GJAERO Cc1ccc(NC(=S)N(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000020367841 204713519 /nfs/dbraw/zinc/71/35/19/204713519.db2.gz CTDNZGAACOCEPK-UHFFFAOYSA-N 1 0 396.604 4.898 10 0 GJAERO Fc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000072358885 205031399 /nfs/dbraw/zinc/03/13/99/205031399.db2.gz NHEVWMZFJZYXJH-SFHVURJKSA-N 1 0 377.463 4.541 10 0 GJAERO Cc1cc2[nH]c(C(=O)Nc3c(F)cccc3F)c(C[NH+]3CCCC3)c2s1 ZINC000096363775 211336344 /nfs/dbraw/zinc/33/63/44/211336344.db2.gz HMDCPYWGJOEXJT-UHFFFAOYSA-N 1 0 375.444 4.664 10 0 GJAERO CCOc1cc(CNCCC[NH+](C)C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874872 210365673 /nfs/dbraw/zinc/36/56/73/210365673.db2.gz WJCLFEVQIFKGEH-UHFFFAOYSA-N 1 0 390.955 4.667 10 0 GJAERO Cc1c(C[NH2+]CCN(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000020477615 570261373 /nfs/dbraw/zinc/26/13/73/570261373.db2.gz GGVBRUPNMDVGDV-UHFFFAOYSA-N 1 0 390.358 4.956 10 0 GJAERO COc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874964 570283155 /nfs/dbraw/zinc/28/31/55/570283155.db2.gz KAJZBEQUZMARNX-SFHVURJKSA-N 1 0 375.896 4.505 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1cc(Cl)ccc1Br ZINC000675053155 570306269 /nfs/dbraw/zinc/30/62/69/570306269.db2.gz GVYJEAXDIDXLCW-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)c(Cl)c1 ZINC000675053228 570310089 /nfs/dbraw/zinc/31/00/89/570310089.db2.gz HMXKKKWCTKZYJU-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO Cc1csc([C@@H](C)[NH2+]C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)n1 ZINC000023505893 570325050 /nfs/dbraw/zinc/32/50/50/570325050.db2.gz XSODBAWEXJVMOW-MRXNPFEDSA-N 1 0 393.560 4.537 10 0 GJAERO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2sccc2C)C[C@H]1c1ccccc1 ZINC000034740390 570327338 /nfs/dbraw/zinc/32/73/38/570327338.db2.gz XVIDBDSZUUMNIP-YADHBBJMSA-N 1 0 384.589 4.777 10 0 GJAERO [NH3+]CCc1c2cc(OCc3ccccc3)ccc2[nH]c1C(F)(F)Br ZINC000536959940 570471144 /nfs/dbraw/zinc/47/11/44/570471144.db2.gz MATVXBZGCMRYOU-UHFFFAOYSA-N 1 0 395.247 4.692 10 0 GJAERO CCOc1cc(C[NH2+]CCCn2ccnc2)ccc1OCc1ccccc1Cl ZINC000010314012 570568552 /nfs/dbraw/zinc/56/85/52/570568552.db2.gz JBPHWLGNVRPJBQ-UHFFFAOYSA-N 1 0 399.922 4.694 10 0 GJAERO CCOc1c(C[NH2+]CCc2ccc(Cl)cc2)cc(Br)cc1OC ZINC000013721473 570780581 /nfs/dbraw/zinc/78/05/81/570780581.db2.gz QRWPAEMBMZVQQV-UHFFFAOYSA-N 1 0 398.728 4.842 10 0 GJAERO C[NH2+]Cc1cc(Br)c(OCc2c(F)cccc2Cl)c(OC)c1 ZINC000019777385 570929715 /nfs/dbraw/zinc/92/97/15/570929715.db2.gz IQJCPGLGFKPUGS-UHFFFAOYSA-N 1 0 388.664 4.549 10 0 GJAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(F)cc1Cl ZINC000013722063 210084112 /nfs/dbraw/zinc/08/41/12/210084112.db2.gz MXBWVCQWBFBFCA-UHFFFAOYSA-N 1 0 395.902 4.971 10 0 GJAERO CCOC(=O)c1cc(-c2ccccc2)cc(C(C)(C)C)[n+]1-c1ccc(C)cn1 ZINC000005327467 209587266 /nfs/dbraw/zinc/58/72/66/209587266.db2.gz YVOJKOCORQDYDZ-UHFFFAOYSA-N 1 0 375.492 4.808 10 0 GJAERO Cc1c(C[NH2+]C[C@H](C)O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315550 204333702 /nfs/dbraw/zinc/33/37/02/204333702.db2.gz PLSDRGAMQORYEV-ZDUSSCGKSA-N 1 0 377.315 4.775 10 0 GJAERO COc1cc(C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)cc(OC)c1 ZINC000058227577 205169969 /nfs/dbraw/zinc/16/99/69/205169969.db2.gz HBGYBIAVRUAVDW-UHFFFAOYSA-N 1 0 380.271 4.576 10 0 GJAERO Fc1cccc(-c2cnoc2-c2c[nH]c3ncc(C4CC[NH2+]CC4)cc23)c1F ZINC000165527236 205821002 /nfs/dbraw/zinc/82/10/02/205821002.db2.gz MYORZRXANZEKIH-UHFFFAOYSA-N 1 0 380.398 4.630 10 0 GJAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(C)cc1 ZINC000010436319 211668457 /nfs/dbraw/zinc/66/84/57/211668457.db2.gz YRJYRRAPSBIRRL-UHFFFAOYSA-N 1 0 378.310 4.843 10 0 GJAERO CCOc1cc(C[NH2+]C2CC2)cc(Br)c1OCc1ccc(C)cc1 ZINC000020874776 570287855 /nfs/dbraw/zinc/28/78/55/570287855.db2.gz CZZCRSLXPUKHKH-UHFFFAOYSA-N 1 0 390.321 4.987 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cccc(Br)c1Cl ZINC000675052745 570301769 /nfs/dbraw/zinc/30/17/69/570301769.db2.gz DFVLMNAFVSMPAM-MFKMUULPSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)cc1Cl ZINC000675054207 570321477 /nfs/dbraw/zinc/32/14/77/570321477.db2.gz MMNCXKMCTJOZFY-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)cc1Cl ZINC000675054212 570321648 /nfs/dbraw/zinc/32/16/48/570321648.db2.gz MMNCXKMCTJOZFY-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccc(C)cc1 ZINC000013719239 570779517 /nfs/dbraw/zinc/77/95/17/570779517.db2.gz UHXITBFZYJWAMD-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO CCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)CC ZINC000013724942 570781276 /nfs/dbraw/zinc/78/12/76/570781276.db2.gz AUQOLUBNFOXASS-UHFFFAOYSA-N 1 0 379.136 4.889 10 0 GJAERO CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Br)c1OCC ZINC000013720540 210084709 /nfs/dbraw/zinc/08/47/09/210084709.db2.gz CSNGXIQKEUPKFW-UHFFFAOYSA-N 1 0 394.309 4.545 10 0 GJAERO Fc1ccccc1-n1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000012386679 204403652 /nfs/dbraw/zinc/40/36/52/204403652.db2.gz OVFQBRSWCSIAQP-SFHVURJKSA-N 1 0 387.405 4.780 10 0 GJAERO CSCCCN(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000055107789 205142987 /nfs/dbraw/zinc/14/29/87/205142987.db2.gz QQAGCPXOVBQFCY-OAQYLSRUSA-N 1 0 375.626 4.681 10 0 GJAERO C[C@@H]([NH2+]C[C@H](O)c1cccc(Br)c1)c1cccc(Br)c1 ZINC000028920298 206054318 /nfs/dbraw/zinc/05/43/18/206054318.db2.gz IUZJMEXBDDFNNZ-BZNIZROVSA-N 1 0 399.126 4.596 10 0 GJAERO C[C@H](c1cccc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C ZINC000067714190 211018096 /nfs/dbraw/zinc/01/80/96/211018096.db2.gz AGQSTTJXNIIDTR-MRXNPFEDSA-N 1 0 379.479 4.662 10 0 GJAERO C[C@@H](c1cccc(CN2CCc3onc(-c4cccc(F)c4)c3C2)c1)[NH+](C)C ZINC000067714189 211017260 /nfs/dbraw/zinc/01/72/60/211017260.db2.gz AGQSTTJXNIIDTR-INIZCTEOSA-N 1 0 379.479 4.662 10 0 GJAERO COc1cc(Br)cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1OC ZINC000020933601 210371187 /nfs/dbraw/zinc/37/11/87/210371187.db2.gz NHNVQLFDYUCPSS-UHFFFAOYSA-N 1 0 380.326 4.525 10 0 GJAERO CCC[NH+](CCC)CCc1cccc2c1C(SC)(SC)C(=O)N2CC ZINC000504787040 528060145 /nfs/dbraw/zinc/06/01/45/528060145.db2.gz VJTBTTDMTZNZGH-UHFFFAOYSA-N 1 0 380.623 4.596 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(Cl)ccc1Br ZINC000675053159 570306130 /nfs/dbraw/zinc/30/61/30/570306130.db2.gz GVYJEAXDIDXLCW-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)cc1Cl ZINC000675054217 570321684 /nfs/dbraw/zinc/32/16/84/570321684.db2.gz MMNCXKMCTJOZFY-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936045 570338782 /nfs/dbraw/zinc/33/87/82/570338782.db2.gz TVLURAIITOYRLH-IBGZPJMESA-N 1 0 388.939 4.502 10 0 GJAERO Clc1cc(Br)ccc1-c1ccc(C[NH2+]CCCn2ccnc2)o1 ZINC000010314132 570568465 /nfs/dbraw/zinc/56/84/65/570568465.db2.gz YQKPXFAIHOXNLI-UHFFFAOYSA-N 1 0 394.700 4.739 10 0 GJAERO CCOc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccccc1Cl ZINC000013717495 570779687 /nfs/dbraw/zinc/77/96/87/570779687.db2.gz MHKJHKNULPWWLK-UHFFFAOYSA-N 1 0 399.922 4.694 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000675055762 570900618 /nfs/dbraw/zinc/90/06/18/570900618.db2.gz XRATXSMANQYPML-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2cccc(C[NH3+])c2)n1 ZINC000087493610 570986454 /nfs/dbraw/zinc/98/64/54/570986454.db2.gz YVJYVQTWMJXCMV-UHFFFAOYSA-N 1 0 397.910 4.926 10 0 GJAERO CCOc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)cc1 ZINC000013726923 210085018 /nfs/dbraw/zinc/08/50/18/210085018.db2.gz IVLNZPDROZTABO-UHFFFAOYSA-N 1 0 377.912 4.570 10 0 GJAERO O=C(N[C@@H](c1ccccc1)[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1Cl ZINC000003819069 204019577 /nfs/dbraw/zinc/01/95/77/204019577.db2.gz MEZRZVWPLXVLSO-WMZOPIPTSA-N 1 0 396.840 4.972 10 0 in-vitro GJAERO CC(C)Oc1c(Br)cc(C[NH2+]C(C)(C)C)cc1Br ZINC000040721126 205069147 /nfs/dbraw/zinc/06/91/47/205069147.db2.gz IDCNEXBMYLOMBP-UHFFFAOYSA-N 1 0 379.136 4.887 10 0 GJAERO CCCCOCCC[NH2+]Cc1cc(Br)cc(OC)c1OCCC ZINC000020934421 210370823 /nfs/dbraw/zinc/37/08/23/210370823.db2.gz XJIUEBJOQCKSIT-UHFFFAOYSA-N 1 0 388.346 4.543 10 0 GJAERO Cc1cc(-c2ccc(C[NH2+]C[C@H](O)c3ccccc3)o2)ccc1Br ZINC000020875829 570283431 /nfs/dbraw/zinc/28/34/31/570283431.db2.gz UMGGPOMHEMVHGF-IBGZPJMESA-N 1 0 386.289 4.841 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000013718721 570779582 /nfs/dbraw/zinc/77/95/82/570779582.db2.gz ZOGZOUDXQIXGLW-UHFFFAOYSA-N 1 0 395.474 4.754 10 0 GJAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1c(Cl)cccc1Cl ZINC000013727129 570782233 /nfs/dbraw/zinc/78/22/33/570782233.db2.gz SZUYETMFZLUULZ-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000013727137 570782297 /nfs/dbraw/zinc/78/22/97/570782297.db2.gz UEUNQYFMOZQJAU-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccc(F)cc1 ZINC000010435970 570790475 /nfs/dbraw/zinc/79/04/75/570790475.db2.gz JJZSSLZFLVSRLH-UHFFFAOYSA-N 1 0 382.273 4.674 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000675055761 570900488 /nfs/dbraw/zinc/90/04/88/570900488.db2.gz XRATXSMANQYPML-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1cc(Br)ccc1Cl ZINC000675055819 570900968 /nfs/dbraw/zinc/90/09/68/570900968.db2.gz ZALXQJGXZRCNML-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO COc1cc(C[NH2+]C2CCCCCC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013731456 210086442 /nfs/dbraw/zinc/08/64/42/210086442.db2.gz OSNXETKWGIAPBQ-UHFFFAOYSA-N 1 0 396.531 4.834 10 0 GJAERO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1Cl ZINC000013722322 210084919 /nfs/dbraw/zinc/08/49/19/210084919.db2.gz ZSGUXXQNIRTIJY-UHFFFAOYSA-N 1 0 398.728 4.808 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccccc1Cl ZINC000013717481 210083432 /nfs/dbraw/zinc/08/34/32/210083432.db2.gz LMTBJOGVNCOJJP-GOSISDBHSA-N 1 0 375.896 4.586 10 0 GJAERO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717781 210083096 /nfs/dbraw/zinc/08/30/96/210083096.db2.gz IOLRTHXDLSGFHU-LJQANCHMSA-N 1 0 399.498 4.566 10 0 GJAERO CC1(C)C[C@@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000005295587 204124625 /nfs/dbraw/zinc/12/46/25/204124625.db2.gz VDJUFCKVEFSUKN-RUZDIDTESA-N 1 0 393.571 4.984 10 0 GJAERO CN(Cc1cc(C[C@@H]2C[C@H]([NH2+]Cc3ccco3)C2(C)C)no1)c1ccccc1 ZINC000067890143 204260938 /nfs/dbraw/zinc/26/09/38/204260938.db2.gz VHRKDKOYIUUBTH-VGSWGCGISA-N 1 0 379.504 4.651 10 0 GJAERO Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H](O)COCc2ccccc2)cc1 ZINC000036101735 204305905 /nfs/dbraw/zinc/30/59/05/204305905.db2.gz SFRZFLOHTGLUHH-RUZDIDTESA-N 1 0 375.512 4.575 10 0 GJAERO O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000012198228 204381562 /nfs/dbraw/zinc/38/15/62/204381562.db2.gz UODWPNVLMDYVGM-UHFFFAOYSA-N 1 0 398.934 4.837 10 0 GJAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000013722385 204508008 /nfs/dbraw/zinc/50/80/08/204508008.db2.gz CKSYWDYOESSSDB-UHFFFAOYSA-N 1 0 384.303 4.707 10 0 GJAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)cc2)cc1OCC ZINC000020932002 570285423 /nfs/dbraw/zinc/28/54/23/570285423.db2.gz OZOMRGUFWLKWMD-UHFFFAOYSA-N 1 0 377.912 4.868 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000675053226 570310091 /nfs/dbraw/zinc/31/00/91/570310091.db2.gz HMXKKKWCTKZYJU-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936039 570338544 /nfs/dbraw/zinc/33/85/44/570338544.db2.gz ZBBCPFAHJUIGKF-HXUWFJFHSA-N 1 0 388.939 4.502 10 0 GJAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936334 570338828 /nfs/dbraw/zinc/33/88/28/570338828.db2.gz JFTPLSZWQKVBOZ-IBGZPJMESA-N 1 0 376.903 4.632 10 0 GJAERO CC(C)n1ccc(C[N@@H+]2CC[C@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065528714 570772338 /nfs/dbraw/zinc/77/23/38/570772338.db2.gz ZOIVZTLHBOGWMV-NRFANRHFSA-N 1 0 389.499 4.849 10 0 GJAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000013719594 570779705 /nfs/dbraw/zinc/77/97/05/570779705.db2.gz BUEQNUOMBYCUBW-UHFFFAOYSA-N 1 0 375.484 4.710 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000013720685 570779897 /nfs/dbraw/zinc/77/98/97/570779897.db2.gz QMGHOIAINBUVOP-UHFFFAOYSA-N 1 0 377.484 4.615 10 0 GJAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccccc1F ZINC000013722379 570780556 /nfs/dbraw/zinc/78/05/56/570780556.db2.gz NNUQVYUXGRQGMB-UHFFFAOYSA-N 1 0 381.875 4.583 10 0 GJAERO Cc1ccc(-n2cc(C[NH2+]CCc3ccccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000015066949 210148588 /nfs/dbraw/zinc/14/85/88/210148588.db2.gz DIUDGRFNVJIJRE-UHFFFAOYSA-N 1 0 382.511 4.883 10 0 GJAERO O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000015071345 210147005 /nfs/dbraw/zinc/14/70/05/210147005.db2.gz JGHUZIVPSHIHLZ-UHFFFAOYSA-N 1 0 389.474 4.738 10 0 GJAERO COc1cccc(C[NH2+]CCCCCO)c1OCc1ccc(Cl)cc1Cl ZINC000013726883 210084857 /nfs/dbraw/zinc/08/48/57/210084857.db2.gz FFNHXUJKEYRUCK-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO CC(C)(C)CC(C)(C)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013729553 210084137 /nfs/dbraw/zinc/08/41/37/210084137.db2.gz MSGNFKXJGZXPMT-UHFFFAOYSA-N 1 0 379.508 4.759 10 0 GJAERO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000011665487 204349311 /nfs/dbraw/zinc/34/93/11/204349311.db2.gz BDRPHKPUIOLDEE-UHFFFAOYSA-N 1 0 388.511 4.623 10 0 GJAERO O=C(Nc1ccnn1C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1)C1CCCC1 ZINC000012297494 204391312 /nfs/dbraw/zinc/39/13/12/204391312.db2.gz LGBDOJUQMPUVOS-ONEGZZNKSA-N 1 0 396.510 4.501 10 0 GJAERO C[C@@]([NH3+])(Cc1ccc(Br)s1)c1ccccc1Br ZINC000053757105 205137933 /nfs/dbraw/zinc/13/79/33/205137933.db2.gz WQGIATOHLNOHCH-CYBMUJFWSA-N 1 0 375.129 4.690 10 0 GJAERO CCCOc1c(C[NH2+]Cc2ccc(OC)cc2)cc(Br)cc1OC ZINC000020934347 210370164 /nfs/dbraw/zinc/37/01/64/210370164.db2.gz JNSPNKNLTHNTRL-UHFFFAOYSA-N 1 0 394.309 4.545 10 0 GJAERO COc1cccc(C[NH2+]Cc2ccc3c(c2)OCO3)c1OCc1ccc(C)cc1 ZINC000020873964 570283100 /nfs/dbraw/zinc/28/31/00/570283100.db2.gz MOOBLQJTQJMSOJ-UHFFFAOYSA-N 1 0 391.467 4.601 10 0 GJAERO Cc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000034682938 570300703 /nfs/dbraw/zinc/30/07/03/570300703.db2.gz UGSVGTZLZGBDFE-UHFFFAOYSA-N 1 0 385.511 4.701 10 0 GJAERO Clc1ccc(COc2ccc(Cl)cc2C[NH2+]CCCn2ccnc2)cc1 ZINC000010314049 570568483 /nfs/dbraw/zinc/56/84/83/570568483.db2.gz SRWPNMUMQSWIAF-UHFFFAOYSA-N 1 0 390.314 4.949 10 0 GJAERO CCOc1c(C[NH2+][C@H](C)CCc2ccccc2)cc(Br)cc1OC ZINC000013726683 570781676 /nfs/dbraw/zinc/78/16/76/570781676.db2.gz GLTVCBYLJHOIOO-OAHLLOKOSA-N 1 0 392.337 4.967 10 0 GJAERO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1OCc1ccc(Cl)cc1Cl ZINC000013717466 210083252 /nfs/dbraw/zinc/08/32/52/210083252.db2.gz HSJOPXWNLMHTAQ-KRWDZBQOSA-N 1 0 398.330 4.832 10 0 GJAERO CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(C)cc1 ZINC000020874579 204742848 /nfs/dbraw/zinc/74/28/48/204742848.db2.gz JMLKGXBDPMJDLC-UHFFFAOYSA-N 1 0 392.337 4.853 10 0 GJAERO COc1ccc(CC[N@H+](C)C[C@@H](c2ccc(OC)cc2)C2(O)CCCCC2)cc1 ZINC000077287250 205357242 /nfs/dbraw/zinc/35/72/42/205357242.db2.gz CJLLEDVZZJHJST-DEOSSOPVSA-N 1 0 397.559 4.657 10 0 in-vitro GJAERO CCCOc1ccc2ccccc2c1C[NH2+]CCc1ccc(OC)c(OC)c1 ZINC000020930585 210371419 /nfs/dbraw/zinc/37/14/19/210371419.db2.gz RDTPCOVCZAJTJO-UHFFFAOYSA-N 1 0 379.500 4.978 10 0 GJAERO C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C[NH2+]Cc1ccccc1 ZINC000004900438 560200247 /nfs/dbraw/zinc/20/02/47/560200247.db2.gz HKQCBICFBAZMCN-PUHDZGQXSA-N 1 0 391.555 4.769 10 0 in-vitro GJAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000020874572 570283084 /nfs/dbraw/zinc/28/30/84/570283084.db2.gz NVNKAUKCDMPYOK-LJQANCHMSA-N 1 0 390.321 4.605 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Br)c(Cl)c1 ZINC000675053238 570310119 /nfs/dbraw/zinc/31/01/19/570310119.db2.gz HMXKKKWCTKZYJU-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO CCOc1cc(C[NH2+]C[C@H]2CCCN2CC)ccc1OCc1ccc(C)cc1 ZINC000022936772 570338625 /nfs/dbraw/zinc/33/86/25/570338625.db2.gz BQHMIVWASWZVRM-JOCHJYFZSA-N 1 0 382.548 4.547 10 0 GJAERO CC[C@H](C)[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474905 570456757 /nfs/dbraw/zinc/45/67/57/570456757.db2.gz VLGBLIVNETWRKJ-AWEZNQCLSA-N 1 0 378.310 4.925 10 0 GJAERO CCOc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccccc1 ZINC000010314035 570568563 /nfs/dbraw/zinc/56/85/63/570568563.db2.gz KPOXLNZHKASOPR-UHFFFAOYSA-N 1 0 399.922 4.694 10 0 GJAERO Clc1cc(C[NH2+]Cc2ccc3c(c2)OCO3)ccc1OCc1ccccc1 ZINC000010474974 570571225 /nfs/dbraw/zinc/57/12/25/570571225.db2.gz UYDKVLLDCIGKSO-UHFFFAOYSA-N 1 0 381.859 4.938 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1Br ZINC000675055467 570899264 /nfs/dbraw/zinc/89/92/64/570899264.db2.gz SYCCJWFQVAXHBK-BXUZGUMPSA-N 1 0 389.721 4.502 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000013719048 210082846 /nfs/dbraw/zinc/08/28/46/210082846.db2.gz IUEHSSYAVGAQQS-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000013719043 210082878 /nfs/dbraw/zinc/08/28/78/210082878.db2.gz SNOOXORYBGOBMF-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO C[C@@H](CCc1ccccc1)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717779 210082303 /nfs/dbraw/zinc/08/23/03/210082303.db2.gz IOLRTHXDLSGFHU-IBGZPJMESA-N 1 0 399.498 4.566 10 0 GJAERO Cc1ccc(-n2cc(C[NH2+]CCCn3cccn3)c(-c3cccc(C)c3)n2)cc1 ZINC000012439261 209957845 /nfs/dbraw/zinc/95/78/45/209957845.db2.gz WTEOAHRLJGTWRZ-UHFFFAOYSA-N 1 0 385.515 4.533 10 0 GJAERO Clc1ccc2nc(C[NH2+][C@H]3CCCc4c3cnn4-c3ccccn3)ccc2c1 ZINC000011821085 204355973 /nfs/dbraw/zinc/35/59/73/204355973.db2.gz OZMVCIVYERHAKY-FQEVSTJZSA-N 1 0 389.890 4.636 10 0 GJAERO C[C@]([NH3+])(Cc1sccc1Br)c1cccc(Br)c1 ZINC000053757049 205138719 /nfs/dbraw/zinc/13/87/19/205138719.db2.gz KRPIBUYFDAMWHV-ZDUSSCGKSA-N 1 0 375.129 4.690 10 0 GJAERO CC(C)Oc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)C ZINC000040729928 211181048 /nfs/dbraw/zinc/18/10/48/211181048.db2.gz ITECTMJGGGUXAL-UHFFFAOYSA-N 1 0 379.136 4.887 10 0 GJAERO Clc1ccccc1C1(c2ccnc(-c3c[nH]c4ccccc43)n2)CC[NH2+]CC1 ZINC000072475308 211122843 /nfs/dbraw/zinc/12/28/43/211122843.db2.gz MWYIXSKLMBEIEM-UHFFFAOYSA-N 1 0 388.902 4.948 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]Cc2cccs2)cc1OCC ZINC000020932360 210370813 /nfs/dbraw/zinc/37/08/13/210370813.db2.gz ODPUSSBUHJRGQQ-UHFFFAOYSA-N 1 0 384.339 4.988 10 0 GJAERO CCCC[NH2+]Cc1cc(Br)c(OCCC)c(Br)c1 ZINC000020926716 210368401 /nfs/dbraw/zinc/36/84/01/210368401.db2.gz XESWREWWFAYFPV-UHFFFAOYSA-N 1 0 379.136 4.890 10 0 GJAERO CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000020874374 210365342 /nfs/dbraw/zinc/36/53/42/210365342.db2.gz VUHSTZKTRUENOV-HSZRJFAPSA-N 1 0 391.511 4.796 10 0 GJAERO CCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1Cl ZINC000020876205 210364952 /nfs/dbraw/zinc/36/49/52/210364952.db2.gz SDYRDYYYUIUXFI-UHFFFAOYSA-N 1 0 381.875 4.583 10 0 GJAERO Cc1cc(-c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)o2)ccc1Br ZINC000020875827 210364368 /nfs/dbraw/zinc/36/43/68/210364368.db2.gz UMGGPOMHEMVHGF-LJQANCHMSA-N 1 0 386.289 4.841 10 0 GJAERO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]Cc4ncc[nH]4)C=C3C)nc21 ZINC000077262185 560046734 /nfs/dbraw/zinc/04/67/34/560046734.db2.gz MFJAWMVPCDRLDO-UFYCRDLUSA-N 1 0 391.563 4.781 10 0 biogenic GJAERO CCCOc1c(C[NH2+]CCc2ccccc2)cc(Br)cc1OC ZINC000020934132 570285255 /nfs/dbraw/zinc/28/52/55/570285255.db2.gz YOWPAYUMPVDMCK-UHFFFAOYSA-N 1 0 378.310 4.579 10 0 GJAERO COc1cc(Br)cc(C[NH2+][C@H](C)CCc2ccccc2)c1OC ZINC000020934017 570285350 /nfs/dbraw/zinc/28/53/50/570285350.db2.gz FPNADRMVUFNGDW-CQSZACIVSA-N 1 0 378.310 4.577 10 0 GJAERO CSc1ccc2c(c1)N(CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[S@]2=O ZINC000005318461 570433991 /nfs/dbraw/zinc/43/39/91/570433991.db2.gz XLDFFVBQCMLXIE-QMTYFTJSSA-N 1 0 386.586 4.901 10 0 in-vitro GJAERO Cc1ccsc1C[N@H+](Cc1ccccn1)Cc1cc2ccccc2n(C)c1=O ZINC000055211871 570687266 /nfs/dbraw/zinc/68/72/66/570687266.db2.gz UZDGINDHBVTAIJ-UHFFFAOYSA-N 1 0 389.524 4.506 10 0 GJAERO COc1cc(Cl)cc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1 ZINC000013722108 570780575 /nfs/dbraw/zinc/78/05/75/570780575.db2.gz OOGSSJPFBJFWOX-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1Cl ZINC000013727022 570782249 /nfs/dbraw/zinc/78/22/49/570782249.db2.gz BFBSKACFVMMBCN-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Cl)cc1Br ZINC000675055468 570899280 /nfs/dbraw/zinc/89/92/80/570899280.db2.gz SYCCJWFQVAXHBK-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO COC(=O)[C@H](Sc1cc(Br)ccc1C[NH+](C)C)c1ccccc1 ZINC000498049311 570909232 /nfs/dbraw/zinc/90/92/32/570909232.db2.gz JGZXGOZQWCUUJI-QGZVFWFLSA-N 1 0 394.334 4.517 10 0 GJAERO COC(=O)[C@@H](Sc1cc(Br)ccc1C[NH+](C)C)c1ccccc1 ZINC000498049310 570909296 /nfs/dbraw/zinc/90/92/96/570909296.db2.gz JGZXGOZQWCUUJI-KRWDZBQOSA-N 1 0 394.334 4.517 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccccc1F ZINC000013721783 210084203 /nfs/dbraw/zinc/08/42/03/210084203.db2.gz DUCMDSJFTXWYRW-UHFFFAOYSA-N 1 0 395.902 4.971 10 0 GJAERO O=c1[nH]c2ccccc2cc1-c1cc2cc(OCC[NH+]3CCCCC3)ccc2[nH]1 ZINC000013588771 210070803 /nfs/dbraw/zinc/07/08/03/210070803.db2.gz IFNGRZXJQFDVBD-UHFFFAOYSA-N 1 0 387.483 4.541 10 0 GJAERO CCOC(=O)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccccn1 ZINC000005327479 209587637 /nfs/dbraw/zinc/58/76/37/209587637.db2.gz OKRKDQODBGDSLM-UHFFFAOYSA-N 1 0 381.455 4.869 10 0 GJAERO Brc1ccc(-c2nnc3sc(C[NH2+]C4CCCCC4)cn32)cc1 ZINC000002467109 209366777 /nfs/dbraw/zinc/36/67/77/209366777.db2.gz KLVIOCKXLQGGLV-UHFFFAOYSA-N 1 0 391.338 4.643 10 0 GJAERO CCOc1ccc2nc(C[NH2+][C@@H](C)c3cnn(-c4ccccc4)c3C)ccc2c1 ZINC000011661993 204349397 /nfs/dbraw/zinc/34/93/97/204349397.db2.gz OHZUKMMRJQVFMB-KRWDZBQOSA-N 1 0 386.499 4.978 10 0 GJAERO [NH3+][C@@H](c1ccc(F)cc1F)c1cc(Br)ccc1Br ZINC000021793976 204765434 /nfs/dbraw/zinc/76/54/34/204765434.db2.gz GEDKXOIIEOINQN-ZDUSSCGKSA-N 1 0 377.026 4.538 10 0 GJAERO CCCC[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010473991 205861531 /nfs/dbraw/zinc/86/15/31/205861531.db2.gz IOJIHHDAIWMMEI-UHFFFAOYSA-N 1 0 378.310 4.926 10 0 GJAERO c1ccc(-c2ccc(-c3cncc(C[NH+]4CCC5(CC4)OCCO5)c3)cc2)cc1 ZINC000037554182 210742483 /nfs/dbraw/zinc/74/24/83/210742483.db2.gz SMKUVSKCDPQIJX-UHFFFAOYSA-N 1 0 386.495 4.755 10 0 GJAERO CCCc1cc(NC[C@@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684936 521381846 /nfs/dbraw/zinc/38/18/46/521381846.db2.gz DRJADZYPJVKVSZ-CQSZACIVSA-N 1 0 378.442 4.526 10 0 GJAERO [NH3+]C1CCN(c2cc(-c3ccccc3)nc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000073663193 527144471 /nfs/dbraw/zinc/14/44/71/527144471.db2.gz KTKFCTHQHMSEBZ-UHFFFAOYSA-N 1 0 398.432 4.757 10 0 GJAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@@H](O)c2ccccc2)o1 ZINC000020875955 570283312 /nfs/dbraw/zinc/28/33/12/570283312.db2.gz YPKINUGAZAAPLW-LJQANCHMSA-N 1 0 386.289 4.841 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+][C@H](C)CC)cc1Br ZINC000020926829 570284895 /nfs/dbraw/zinc/28/48/95/570284895.db2.gz ZZMZGYUTZYSXSI-SNVBAGLBSA-N 1 0 379.136 4.889 10 0 GJAERO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc1 ZINC000014953752 570321336 /nfs/dbraw/zinc/32/13/36/570321336.db2.gz OOWPBYBPXSDUJH-GOSISDBHSA-N 1 0 391.540 4.755 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805200 570558382 /nfs/dbraw/zinc/55/83/82/570558382.db2.gz IVZMSNINTOSBDG-INIZCTEOSA-N 1 0 377.326 4.591 10 0 GJAERO CCOc1cccc(C[NH2+]CCCn2ccnc2)c1OCc1ccc(Cl)cc1 ZINC000013717493 570779696 /nfs/dbraw/zinc/77/96/96/570779696.db2.gz WPURKYGUEHULFN-UHFFFAOYSA-N 1 0 399.922 4.694 10 0 GJAERO COCCC[NH2+]Cc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 ZINC000013722387 570781048 /nfs/dbraw/zinc/78/10/48/570781048.db2.gz OIMGXGMQLRIGIY-UHFFFAOYSA-N 1 0 384.303 4.707 10 0 GJAERO [NH2+]=C(Nc1ccccc1I)Nc1cccc2ccccc21 ZINC000013733814 204511025 /nfs/dbraw/zinc/51/10/25/204511025.db2.gz BQFWRQMKLMLBDM-UHFFFAOYSA-N 1 0 387.224 4.903 10 0 GJAERO CC[N@H+](CCCCCCCF)CCCCc1ccc(NS(C)(=O)=O)cc1 ZINC000040465652 205065822 /nfs/dbraw/zinc/06/58/22/205065822.db2.gz VHZZMAQDUUCEGX-UHFFFAOYSA-N 1 0 386.577 4.623 10 0 GJAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000083260331 211163905 /nfs/dbraw/zinc/16/39/05/211163905.db2.gz RZVKAWNUVBFUSF-IQQJEHGZSA-N 1 0 375.528 4.865 10 0 GJAERO COc1ccccc1NC(=O)N(Cc1ccc(C)o1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020407393 210331715 /nfs/dbraw/zinc/33/17/15/210331715.db2.gz SKMBOLYJCYXBCL-UHFFFAOYSA-N 1 0 399.535 4.940 10 0 GJAERO CCCc1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684938 521380568 /nfs/dbraw/zinc/38/05/68/521380568.db2.gz DRJADZYPJVKVSZ-AWEZNQCLSA-N 1 0 378.442 4.526 10 0 GJAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH+](Cc3ccccc3)Cc3ccccc3)[C@H]2C1 ZINC000306610123 526428025 /nfs/dbraw/zinc/42/80/25/526428025.db2.gz ZURLNOYOJQYMFZ-VABKMULXSA-N 1 0 392.543 4.944 10 0 GJAERO Clc1cccc(-c2nc(NC[C@@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)c1 ZINC000073684869 526972349 /nfs/dbraw/zinc/97/23/49/526972349.db2.gz JHYULGZXLGZWEP-MRXNPFEDSA-N 1 0 378.907 4.876 10 0 GJAERO Cc1ccc(CNC(=O)C2CC[NH+](Cc3c[nH]c4ccc(Cl)cc34)CC2)cc1 ZINC000085813050 570250346 /nfs/dbraw/zinc/25/03/46/570250346.db2.gz XXHHGJSWOJSUNV-UHFFFAOYSA-N 1 0 395.934 4.658 10 0 GJAERO CCCOc1c(C[NH2+]CCc2ccc(F)cc2)cc(Br)cc1OC ZINC000020934264 570285298 /nfs/dbraw/zinc/28/52/98/570285298.db2.gz GHLRKQFGBRCPQR-UHFFFAOYSA-N 1 0 396.300 4.718 10 0 GJAERO Brc1cc([C@H]2[NH2+]CCc3ccsc32)sc1Br ZINC000712526830 570328465 /nfs/dbraw/zinc/32/84/65/570328465.db2.gz ZROGUCFGSQCQRX-SECBINFHSA-N 1 0 379.142 4.570 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936280 570338728 /nfs/dbraw/zinc/33/87/28/570338728.db2.gz QBXWPMLSASDLAR-IBGZPJMESA-N 1 0 388.939 4.502 10 0 GJAERO CC[N@@H+]1CCC[C@@H]1CNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000022936043 570338761 /nfs/dbraw/zinc/33/87/61/570338761.db2.gz TVLURAIITOYRLH-LJQANCHMSA-N 1 0 388.939 4.502 10 0 GJAERO CCOc1c(C[NH2+]C23CC4CC(CC(C4)C2)C3)cc(Br)cc1OC ZINC000010436539 570570843 /nfs/dbraw/zinc/57/08/43/570570843.db2.gz ZUIBUQBZQXTSTB-UHFFFAOYSA-N 1 0 394.353 4.915 10 0 GJAERO COc1cc(OC)cc([C@@H]2c3cccn3CCC[N@H+]2Cc2cccc(C)c2)c1 ZINC000036347437 570628823 /nfs/dbraw/zinc/62/88/23/570628823.db2.gz YKEHJYIOMGCBNT-XMMPIXPASA-N 1 0 376.500 4.809 10 0 GJAERO Cc1oc(-c2ccsc2)nc1C[N@H+](CCO)CC12CC3CC(CC(C3)C1)C2 ZINC000012438328 570662981 /nfs/dbraw/zinc/66/29/81/570662981.db2.gz BYHXRPILVKLNQV-UHFFFAOYSA-N 1 0 386.561 4.722 10 0 GJAERO CCOc1c(Br)cc(Br)cc1C[NH2+]CCC(C)C ZINC000013724372 570781462 /nfs/dbraw/zinc/78/14/62/570781462.db2.gz OAXOQGNQOZUVLN-UHFFFAOYSA-N 1 0 379.136 4.746 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1OCc1ccc(Cl)cc1 ZINC000013717477 210082682 /nfs/dbraw/zinc/08/26/82/210082682.db2.gz ANUKBRGRUBADQT-LJQANCHMSA-N 1 0 375.896 4.586 10 0 GJAERO CCOc1c(C[NH2+]C2C3CC4CC(C3)CC2C4)cc(Br)cc1OC ZINC000010436586 209859714 /nfs/dbraw/zinc/85/97/14/209859714.db2.gz FMRGHJLTLSWUFE-UHFFFAOYSA-N 1 0 394.353 4.771 10 0 GJAERO CCOc1ccccc1C[NH+]1CCC2(CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000090473144 209237490 /nfs/dbraw/zinc/23/74/90/209237490.db2.gz DWCREXGRNZDQEA-UHFFFAOYSA-N 1 0 392.543 4.604 10 0 GJAERO Cc1ccc2c(C)nc(N3CCC[C@H]([NH2+][C@@H](C)Cc4cccs4)CC3)nc2c1 ZINC000012190746 204381287 /nfs/dbraw/zinc/38/12/87/204381287.db2.gz GGZUUGUHAVXRML-HKUYNNGSSA-N 1 0 394.588 4.888 10 0 GJAERO Cc1nc(N2CCC[C@@H]([NH2+]C3(c4ccccc4)CC3)CC2)nc2ccc(F)cc12 ZINC000012278597 204389005 /nfs/dbraw/zinc/38/90/05/204389005.db2.gz QIKATULQTJMUJJ-HXUWFJFHSA-N 1 0 390.506 4.715 10 0 GJAERO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000037560840 205029556 /nfs/dbraw/zinc/02/95/56/205029556.db2.gz KUCSPXVJJQMPCX-UHFFFAOYSA-N 1 0 380.532 4.801 10 0 GJAERO C[NH2+][C@@H](Cc1sccc1Br)c1cccc(Br)c1 ZINC000053823578 205138553 /nfs/dbraw/zinc/13/85/53/205138553.db2.gz IITJRQDZIDIJFL-LBPRGKRZSA-N 1 0 375.129 4.776 10 0 GJAERO O=C(N[C@H](c1ccccc1)[C@@H]1CCCC[NH2+]1)c1cccc(C(F)(F)F)c1Cl ZINC000066031937 205239868 /nfs/dbraw/zinc/23/98/68/205239868.db2.gz MEZRZVWPLXVLSO-FUHWJXTLSA-N 1 0 396.840 4.972 10 0 GJAERO CC(C)c1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684386 519833446 /nfs/dbraw/zinc/83/34/46/519833446.db2.gz PGHXHVVHMROJAB-UHFFFAOYSA-N 1 0 378.442 4.697 10 0 GJAERO [NH3+]CC1CCN(c2cc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)CC1 ZINC000073684661 527168154 /nfs/dbraw/zinc/16/81/54/527168154.db2.gz RQWDUTCQARFKGI-UHFFFAOYSA-N 1 0 378.907 4.639 10 0 GJAERO FC(F)(F)c1ccc(-c2nc(N[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073685228 527681407 /nfs/dbraw/zinc/68/14/07/527681407.db2.gz NLLJPTQTVPSFJL-SFHVURJKSA-N 1 0 398.432 4.993 10 0 GJAERO CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876437 570283471 /nfs/dbraw/zinc/28/34/71/570283471.db2.gz TXJWJGCBBZJMJP-INIZCTEOSA-N 1 0 398.728 4.542 10 0 GJAERO CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876439 570283476 /nfs/dbraw/zinc/28/34/76/570283476.db2.gz TXJWJGCBBZJMJP-MRXNPFEDSA-N 1 0 398.728 4.542 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936005 570338787 /nfs/dbraw/zinc/33/87/87/570338787.db2.gz KBIDPTKKUIIHFH-LJQANCHMSA-N 1 0 388.939 4.502 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000013718716 570779433 /nfs/dbraw/zinc/77/94/33/570779433.db2.gz GDADOGUGVAXZFL-UHFFFAOYSA-N 1 0 395.474 4.754 10 0 GJAERO COCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000013722313 570780436 /nfs/dbraw/zinc/78/04/36/570780436.db2.gz SVLMDYYLMLFXKF-UHFFFAOYSA-N 1 0 398.728 4.808 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cc(Br)ccc1Cl ZINC000675055817 570900951 /nfs/dbraw/zinc/90/09/51/570900951.db2.gz ZALXQJGXZRCNML-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO CCOc1cc(C[NH2+]C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000019777641 570929662 /nfs/dbraw/zinc/92/96/62/570929662.db2.gz OACAJDUNVIOEBW-UHFFFAOYSA-N 1 0 384.701 4.800 10 0 GJAERO CC[NH+](CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccc(OC)cc21 ZINC000001673187 212253937 /nfs/dbraw/zinc/25/39/37/212253937.db2.gz VSHABYYWJZIPGW-QFIPXVFZSA-N 1 0 384.907 4.939 10 0 GJAERO OC1(c2cccc(Cl)c2Cl)CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000028878265 212157448 /nfs/dbraw/zinc/15/74/48/212157448.db2.gz ASKCQUQTSBOXCM-UHFFFAOYSA-N 1 0 375.299 4.958 10 0 GJAERO COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1 ZINC000020476825 207196188 /nfs/dbraw/zinc/19/61/88/207196188.db2.gz IYIKODKGXFIZHU-OAQYLSRUSA-N 1 0 397.902 4.751 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000022935882 207266293 /nfs/dbraw/zinc/26/62/93/207266293.db2.gz IRFBYZSSYTWIGH-FQEVSTJZSA-N 1 0 388.939 4.502 10 0 GJAERO CC[NH+](CC)CCCNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000013734323 221285829 /nfs/dbraw/zinc/28/58/29/221285829.db2.gz WHRWIXMMBFIRRH-UHFFFAOYSA-N 1 0 378.919 4.880 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1OCc1ccccc1F ZINC000013729992 221285998 /nfs/dbraw/zinc/28/59/98/221285998.db2.gz CAHPWHCQTVBUDC-JOCHJYFZSA-N 1 0 395.474 4.627 10 0 GJAERO CC[NH+](CC)CCCNCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000013734126 221286134 /nfs/dbraw/zinc/28/61/34/221286134.db2.gz QJTPYZPVSPUSCH-UHFFFAOYSA-N 1 0 390.955 4.749 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccc(F)cc2)cc1OC ZINC000020932894 221520372 /nfs/dbraw/zinc/52/03/72/221520372.db2.gz HNKMTNWVOIMKIK-UHFFFAOYSA-N 1 0 396.300 4.718 10 0 GJAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]([NH+](Cc3ccccc3)Cc3ccccc3)[C@@H]2C1 ZINC000306610125 526427518 /nfs/dbraw/zinc/42/75/18/526427518.db2.gz ZURLNOYOJQYMFZ-ZRBLBEILSA-N 1 0 392.543 4.944 10 0 GJAERO CCCOc1ccc(C[NH2+]CCc2ccc(OC)cc2)cc1Br ZINC000020925996 570285061 /nfs/dbraw/zinc/28/50/61/570285061.db2.gz OGMKWXMZPDCXOC-UHFFFAOYSA-N 1 0 378.310 4.579 10 0 GJAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936329 570338855 /nfs/dbraw/zinc/33/88/55/570338855.db2.gz JFJKFYMDNRSQCS-FQEVSTJZSA-N 1 0 376.903 4.632 10 0 GJAERO Cc1ccc2cc3cc(C(=O)NCCC[NH+]4CCC(C)CC4)sc3nc2c1 ZINC000004886013 570355267 /nfs/dbraw/zinc/35/52/67/570355267.db2.gz XYWNYFCBSZJMQG-UHFFFAOYSA-N 1 0 381.545 4.610 10 0 GJAERO CC1(C)C[C@]2(CCC[N@H+](CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1 ZINC000005295705 570433338 /nfs/dbraw/zinc/43/33/38/570433338.db2.gz VDJUFCKVEFSUKN-VWLOTQADSA-N 1 0 393.571 4.984 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805193 570558357 /nfs/dbraw/zinc/55/83/57/570558357.db2.gz LRKRKEDRNSNJOA-INIZCTEOSA-N 1 0 377.326 4.591 10 0 GJAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccc(Cl)cc1 ZINC000013721612 570780523 /nfs/dbraw/zinc/78/05/23/570780523.db2.gz VCBNUCOWCNXODX-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO CC(C)OCCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013721687 570780549 /nfs/dbraw/zinc/78/05/49/570780549.db2.gz JUNUTAQNWGVHLQ-UHFFFAOYSA-N 1 0 392.337 4.933 10 0 GJAERO COc1ccc2cc(C[NH2+]CCc3c(C)n[nH]c3C)c(-c3ccsc3)nc2c1 ZINC000020865035 207216944 /nfs/dbraw/zinc/21/69/44/207216944.db2.gz JDWUSCBCPZESFN-UHFFFAOYSA-N 1 0 392.528 4.644 10 0 GJAERO CCCOc1c(C[NH2+]CCc2ccccc2F)cc(Br)cc1OC ZINC000020934258 207220922 /nfs/dbraw/zinc/22/09/22/207220922.db2.gz OYVMOZCIYUMQID-UHFFFAOYSA-N 1 0 396.300 4.718 10 0 GJAERO CC[N@@H+]1CCC[C@H]1CNCc1cccc(OC)c1OCc1ccc(Cl)cc1 ZINC000022936041 207265861 /nfs/dbraw/zinc/26/58/61/207265861.db2.gz ZBBCPFAHJUIGKF-FQEVSTJZSA-N 1 0 388.939 4.502 10 0 GJAERO c1ccc(C(C[NH+]2CCN(NCC3CCCCC3)CC2)c2ccccc2)cc1 ZINC000098180660 208369433 /nfs/dbraw/zinc/36/94/33/208369433.db2.gz VTDQJHLRYQQUFX-UHFFFAOYSA-N 1 0 377.576 4.521 10 0 GJAERO CC[NH+](CC)CCN(C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000005139309 220834361 /nfs/dbraw/zinc/83/43/61/220834361.db2.gz FOFVZZNPRMKZFI-HXUWFJFHSA-N 1 0 381.347 4.875 10 0 GJAERO Cc1ccccc1-c1ncc(C[N@@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cn1 ZINC000012593711 221212920 /nfs/dbraw/zinc/21/29/20/221212920.db2.gz QVOPCOAJHKBAGE-OAQYLSRUSA-N 1 0 376.479 4.668 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013721780 221284045 /nfs/dbraw/zinc/28/40/45/221284045.db2.gz XKYKQMGXUGDEIR-UHFFFAOYSA-N 1 0 395.902 4.971 10 0 GJAERO CCOc1c(Br)cc(C[NH2+][C@@H](C)CCc2ccccc2)cc1OC ZINC000013726000 221284259 /nfs/dbraw/zinc/28/42/59/221284259.db2.gz BTBIRIMTSWPGPR-HNNXBMFYSA-N 1 0 392.337 4.967 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000013720608 221284799 /nfs/dbraw/zinc/28/47/99/221284799.db2.gz DBKHUZVVZMQMAC-UHFFFAOYSA-N 1 0 398.890 4.621 10 0 GJAERO Cc1ncc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000014975989 221323114 /nfs/dbraw/zinc/32/31/14/221323114.db2.gz HOOLQTPUDOSOMB-QGZVFWFLSA-N 1 0 381.501 4.562 10 0 GJAERO O=C(c1ccc(N2CCc3ccccc32)s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000015732291 221342241 /nfs/dbraw/zinc/34/22/41/221342241.db2.gz DXWUWYKCSMOOOH-UHFFFAOYSA-N 1 0 395.572 4.533 10 0 GJAERO CCCOc1c(Br)cc(Br)cc1C[NH2+]C(C)(C)C ZINC000020929566 570288287 /nfs/dbraw/zinc/28/82/87/570288287.db2.gz WAGHGSWSRBVKOG-UHFFFAOYSA-N 1 0 379.136 4.889 10 0 GJAERO CC[NH+]1CCC(N(Cc2ccc(F)cc2)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000006877679 570668789 /nfs/dbraw/zinc/66/87/89/570668789.db2.gz YNIKXMGKOVFNFD-UHFFFAOYSA-N 1 0 391.437 4.622 10 0 GJAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013722376 570780561 /nfs/dbraw/zinc/78/05/61/570780561.db2.gz YYYOMQMCGGOARA-UHFFFAOYSA-N 1 0 381.875 4.583 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1cccc(Cl)c1 ZINC000013721911 570780580 /nfs/dbraw/zinc/78/05/80/570780580.db2.gz NOKCBDHKGPHCMC-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO COc1cc(C[NH2+]CCCCCO)ccc1OCc1ccc(Cl)cc1Cl ZINC000013726859 570781874 /nfs/dbraw/zinc/78/18/74/570781874.db2.gz FGBLDMHTPXOXKN-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO Brc1cc([C@H]2[NH2+]CCc3sccc32)sc1Br ZINC000397120527 570923038 /nfs/dbraw/zinc/92/30/38/570923038.db2.gz MLKLRBUXKXFMSB-JTQLQIEISA-N 1 0 379.142 4.570 10 0 GJAERO CCOc1c(Cl)cc(C[NH2+]CCc2ccc(OC)c(OC)c2)cc1Cl ZINC000020476701 207195720 /nfs/dbraw/zinc/19/57/20/207195720.db2.gz PZISNDLQLRVCCK-UHFFFAOYSA-N 1 0 384.303 4.742 10 0 GJAERO COc1cccc(C[NH2+]Cc2ccncc2)c1OCc1ccc(F)cc1Cl ZINC000020876243 207218645 /nfs/dbraw/zinc/21/86/45/207218645.db2.gz QCGJFEJHTRTDKJ-UHFFFAOYSA-N 1 0 386.854 4.752 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000022936867 207265243 /nfs/dbraw/zinc/26/52/43/207265243.db2.gz CYJAUTFCEUSTEY-HXUWFJFHSA-N 1 0 381.951 4.917 10 0 GJAERO FC(F)(F)C(F)(F)SCCC[NH2+]Cc1ccc(Br)cc1 ZINC000095918390 208240034 /nfs/dbraw/zinc/24/00/34/208240034.db2.gz WATKTVBXOCPTSI-UHFFFAOYSA-N 1 0 378.204 4.817 10 0 GJAERO CCOc1cccc(C[NH2+]CCOC)c1OCc1ccc(Cl)cc1Cl ZINC000013730120 208786191 /nfs/dbraw/zinc/78/61/91/208786191.db2.gz BEQLUPAOYOXFEI-UHFFFAOYSA-N 1 0 384.303 4.707 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)cc(Cl)c1OCc1ccccc1 ZINC000013721768 221284573 /nfs/dbraw/zinc/28/45/73/221284573.db2.gz MKCKTHRWAYVTLZ-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO CCCCCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1 ZINC000013731396 221285335 /nfs/dbraw/zinc/28/53/35/221285335.db2.gz SGSNBWHESWAKFJ-UHFFFAOYSA-N 1 0 384.520 4.691 10 0 GJAERO CCOCCC[NH2+]Cc1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020874973 221515770 /nfs/dbraw/zinc/51/57/70/221515770.db2.gz IWFQFBIJNGBGDR-UHFFFAOYSA-N 1 0 377.912 4.752 10 0 GJAERO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000034683352 221801415 /nfs/dbraw/zinc/80/14/15/221801415.db2.gz FILZISQSFKUIKK-UHFFFAOYSA-N 1 0 396.531 4.507 10 0 GJAERO CCCc1cc(NCC2CC[NH2+]CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684387 521378186 /nfs/dbraw/zinc/37/81/86/521378186.db2.gz WAZPNETVLBOJDZ-UHFFFAOYSA-N 1 0 378.442 4.526 10 0 GJAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH+](Cc3ccccc3)Cc3ccccc3)[C@H]2C1 ZINC000306610122 526427672 /nfs/dbraw/zinc/42/76/72/526427672.db2.gz ZURLNOYOJQYMFZ-RJGXRXQPSA-N 1 0 392.543 4.944 10 0 GJAERO CCN(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000020601085 570269973 /nfs/dbraw/zinc/26/99/73/570269973.db2.gz FXHXNJTXTZZEPO-QFIPXVFZSA-N 1 0 389.543 4.730 10 0 GJAERO CC(C)C[NH2+]Cc1cc(Br)c(OC(C)C)c(Br)c1 ZINC000040730519 570608476 /nfs/dbraw/zinc/60/84/76/570608476.db2.gz SHDBIXPFLZJVGI-UHFFFAOYSA-N 1 0 379.136 4.744 10 0 GJAERO COc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1Cl ZINC000013721615 570780505 /nfs/dbraw/zinc/78/05/05/570780505.db2.gz TWGQBFLTODIBQI-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4nc3C)C2)cc1 ZINC000014953756 207032789 /nfs/dbraw/zinc/03/27/89/207032789.db2.gz OOWPBYBPXSDUJH-SFHVURJKSA-N 1 0 391.540 4.755 10 0 GJAERO CCCOc1c(Cl)cc(C[NH2+]CCc2ccccc2OC)cc1OCC ZINC000020932154 207221034 /nfs/dbraw/zinc/22/10/34/207221034.db2.gz WHDLTGHXVZNIPH-UHFFFAOYSA-N 1 0 377.912 4.868 10 0 GJAERO C[NH2+][C@@H](Cc1sccc1Br)Cc1cccc(Br)c1 ZINC000053828217 207725715 /nfs/dbraw/zinc/72/57/15/207725715.db2.gz NUKHBMLZRDRKLN-GFCCVEGCSA-N 1 0 389.156 4.646 10 0 GJAERO O=C(CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)NCc1ccccc1F ZINC000013596459 221277135 /nfs/dbraw/zinc/27/71/35/221277135.db2.gz GEIYGRSCSOPTQI-KRWDZBQOSA-N 1 0 388.914 4.788 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000013719053 221284476 /nfs/dbraw/zinc/28/44/76/221284476.db2.gz CEMNRXWYVFKOPR-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO COc1cc(C[NH2+][C@H](C)CCc2ccccc2)cc(Br)c1OC ZINC000013726055 221284609 /nfs/dbraw/zinc/28/46/09/221284609.db2.gz PVEALJSOMOOKFK-CQSZACIVSA-N 1 0 378.310 4.577 10 0 GJAERO Cc1cc2c(nc(-c3cccnc3)nc2N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000072260908 136167743 /nfs/dbraw/zinc/16/77/43/136167743.db2.gz UYMAKDFQQMRVSB-UHFFFAOYSA-N 1 0 393.560 4.516 10 0 GJAERO [NH3+][C@H]1CCCC[C@H]1Nc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000095077380 222328789 /nfs/dbraw/zinc/32/87/89/222328789.db2.gz OVDLVFUAQPWHRU-DLBZAZTESA-N 1 0 399.336 4.529 10 0 GJAERO C[NH+](C)CCOc1ccc(/C(=C(/CCO)c2ccccc2)c2ccccc2)cc1 ZINC000002528512 560187500 /nfs/dbraw/zinc/18/75/00/560187500.db2.gz XIWBHBPMBIXYBK-QPLCGJKRSA-N 1 0 387.523 4.969 10 0 in-vitro GJAERO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccc(C)cc3)c2)cc1OC ZINC000020874458 570283129 /nfs/dbraw/zinc/28/31/29/570283129.db2.gz KUUUEAZBTIZXIL-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936002 570338889 /nfs/dbraw/zinc/33/88/89/570338889.db2.gz WEYJZEIUIYNDAU-FQEVSTJZSA-N 1 0 388.939 4.502 10 0 GJAERO Clc1ccc(COc2ccc(C[NH2+]CCCn3ccnc3)cc2)c(Cl)c1 ZINC000010313985 570568280 /nfs/dbraw/zinc/56/82/80/570568280.db2.gz PMCIORGQCTZQJO-UHFFFAOYSA-N 1 0 390.314 4.949 10 0 GJAERO CCOc1cccc(C[NH2+]CCCOC(C)C)c1OCc1ccccc1F ZINC000013722146 570780370 /nfs/dbraw/zinc/78/03/70/570780370.db2.gz XCYZCDNYCODSQX-UHFFFAOYSA-N 1 0 375.484 4.708 10 0 GJAERO COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1ccccc1F ZINC000010435973 570790505 /nfs/dbraw/zinc/79/05/05/570790505.db2.gz GFPRAJBPRFCILE-UHFFFAOYSA-N 1 0 382.273 4.674 10 0 GJAERO C[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474712 570790887 /nfs/dbraw/zinc/79/08/87/570790887.db2.gz FFUCYPFBBXUHFB-UHFFFAOYSA-N 1 0 385.099 4.510 10 0 GJAERO COc1ccc(C2CC[NH+](CC[C@H]3CCOc4ccccc43)CC2)cc1OC ZINC000003784096 212146188 /nfs/dbraw/zinc/14/61/88/212146188.db2.gz UIZPEXQHMIZQPQ-IBGZPJMESA-N 1 0 381.516 4.840 10 0 in-man GJAERO Cc1c(C[NH2+]C[C@@H](C)O)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000010315549 206810822 /nfs/dbraw/zinc/81/08/22/206810822.db2.gz PLSDRGAMQORYEV-CYBMUJFWSA-N 1 0 377.315 4.775 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccc(Cl)cc1 ZINC000013721587 206993665 /nfs/dbraw/zinc/99/36/65/206993665.db2.gz QCOLFCSHRZDLKL-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO Fc1cc(F)cc(-n2ncc3c2CCC[C@H]3[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000015072530 207044426 /nfs/dbraw/zinc/04/44/26/207044426.db2.gz OEGRYFXUCRBFRI-OAQYLSRUSA-N 1 0 378.426 4.799 10 0 GJAERO CN1N=C2/C(=C/c3ccc(Cl)cc3)C[N@@H+](C)C[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000085388988 208101177 /nfs/dbraw/zinc/10/11/77/208101177.db2.gz MHGDGQYNRJRIMN-ULAQWOPESA-N 1 0 386.326 4.981 10 0 GJAERO Cc1ccc(-n2ncc(C(=O)Nc3cccc(C)c3C)c2C2CC[NH2+]CC2)cc1 ZINC000009227198 221075203 /nfs/dbraw/zinc/07/52/03/221075203.db2.gz HQRBMCHRSQWUNG-UHFFFAOYSA-N 1 0 388.515 4.517 10 0 GJAERO COc1cc(Br)cc(C[NH2+]C(C)(C)C)c1OCc1ccccc1 ZINC000010436525 221103085 /nfs/dbraw/zinc/10/30/85/221103085.db2.gz RTDQFYHIJLTJOF-UHFFFAOYSA-N 1 0 378.310 4.925 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1ccccc1Cl ZINC000013721590 221283976 /nfs/dbraw/zinc/28/39/76/221283976.db2.gz JEAVZDIIFLKXBU-UHFFFAOYSA-N 1 0 377.912 4.832 10 0 GJAERO Fc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000072358886 222239036 /nfs/dbraw/zinc/23/90/36/222239036.db2.gz NHEVWMZFJZYXJH-GOSISDBHSA-N 1 0 377.463 4.541 10 0 GJAERO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccc(C)cc2)cc1 ZINC000020873980 570283016 /nfs/dbraw/zinc/28/30/16/570283016.db2.gz WIQHUMSLRNPDQD-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccc(F)cc1 ZINC000022936327 570338734 /nfs/dbraw/zinc/33/87/34/570338734.db2.gz JFJKFYMDNRSQCS-HXUWFJFHSA-N 1 0 376.903 4.632 10 0 GJAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000013719590 570779662 /nfs/dbraw/zinc/77/96/62/570779662.db2.gz MIVOOKZBFYNSJW-UHFFFAOYSA-N 1 0 375.484 4.710 10 0 GJAERO CCCCOCCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1 ZINC000013719862 570779814 /nfs/dbraw/zinc/77/98/14/570779814.db2.gz RRQFOCFJKUGHJT-UHFFFAOYSA-N 1 0 388.346 4.543 10 0 GJAERO Brc1cc([C@@H]2[NH2+]CCc3sccc32)sc1Br ZINC000397120528 570923322 /nfs/dbraw/zinc/92/33/22/570923322.db2.gz MLKLRBUXKXFMSB-SNVBAGLBSA-N 1 0 379.142 4.570 10 0 GJAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H]1C[N@H+](C)CC[C@@H]1c1ccc(F)cc1 ZINC000022009000 570961636 /nfs/dbraw/zinc/96/16/36/570961636.db2.gz RZVKAWNUVBFUSF-CLMCDVRKSA-N 1 0 375.528 4.865 10 0 GJAERO CCCC(=O)N(c1ccc(C)c(F)c1)C1CC[NH+](Cc2ccccc2OC)CC1 ZINC000037572191 571032793 /nfs/dbraw/zinc/03/27/93/571032793.db2.gz RXQVZXRLJDWCCJ-UHFFFAOYSA-N 1 0 398.522 4.940 10 0 GJAERO CC[C@@H](C)[NH2+]Cc1cc(Br)cc(OC)c1OCc1ccccc1 ZINC000010474904 212148198 /nfs/dbraw/zinc/14/81/98/212148198.db2.gz VLGBLIVNETWRKJ-CQSZACIVSA-N 1 0 378.310 4.925 10 0 GJAERO COCCC[NH2+]Cc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 ZINC000013722478 206994706 /nfs/dbraw/zinc/99/47/06/206994706.db2.gz JOHJAMIHYPDUCN-UHFFFAOYSA-N 1 0 384.303 4.707 10 0 GJAERO [NH3+]CCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 ZINC000036382082 207526867 /nfs/dbraw/zinc/52/68/67/207526867.db2.gz NPIALVZPLGKNEF-UHFFFAOYSA-N 1 0 389.124 4.506 10 0 GJAERO Clc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccccc1 ZINC000010314143 221100104 /nfs/dbraw/zinc/10/01/04/221100104.db2.gz SDAMCMBIACLDHP-UHFFFAOYSA-N 1 0 390.314 4.949 10 0 GJAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 ZINC000011821495 221129941 /nfs/dbraw/zinc/12/99/41/221129941.db2.gz NGHNQPQGAFGYGZ-SFHVURJKSA-N 1 0 386.927 4.562 10 0 GJAERO O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC12CC[NH+](Cc1cc3ccccc3o1)CC2 ZINC000012078913 221148495 /nfs/dbraw/zinc/14/84/95/221148495.db2.gz XWBZXBTXIXHOSE-SFHVURJKSA-N 1 0 396.437 4.952 10 0 GJAERO COc1cc(C[NH2+]CCCOC(C)C)ccc1OCc1c(F)cccc1Cl ZINC000013721905 221284661 /nfs/dbraw/zinc/28/46/61/221284661.db2.gz MWXYBUIGSCYQHV-UHFFFAOYSA-N 1 0 395.902 4.971 10 0 GJAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1 ZINC000013726999 221285155 /nfs/dbraw/zinc/28/51/55/221285155.db2.gz SJHZXKUSISUUKI-UHFFFAOYSA-N 1 0 377.912 4.570 10 0 GJAERO COc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000013727020 221285488 /nfs/dbraw/zinc/28/54/88/221285488.db2.gz AXDWVUNTPYTFSG-UHFFFAOYSA-N 1 0 398.330 4.833 10 0 GJAERO [NH3+]C1CCC(Nc2nc3ccccc3n2Cc2ccc(Br)cc2)CC1 ZINC000095077195 222329188 /nfs/dbraw/zinc/32/91/88/222329188.db2.gz DXFBWNXHRSYCIS-UHFFFAOYSA-N 1 0 399.336 4.529 10 0 GJAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000020874570 570283134 /nfs/dbraw/zinc/28/31/34/570283134.db2.gz NVNKAUKCDMPYOK-IBGZPJMESA-N 1 0 390.321 4.605 10 0 GJAERO CCOC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccccc2)[n+]1-c1ncccn1 ZINC000005333814 206606449 /nfs/dbraw/zinc/60/64/49/206606449.db2.gz KRWQTRWKFVAHGQ-UHFFFAOYSA-N 1 0 396.470 4.572 10 0 GJAERO Cc1ccc(-n2cc(C[NH2+]Cc3ccncc3C)c(-c3ccc(F)cc3)n2)cc1 ZINC000015067186 207042865 /nfs/dbraw/zinc/04/28/65/207042865.db2.gz IFJZOUSGGIIXDF-UHFFFAOYSA-N 1 0 386.474 4.980 10 0 GJAERO COc1cccc(CC2(CO)CC[NH+](Cc3c(C)[nH]c4c3cccc4C)CC2)c1 ZINC000023619717 207279123 /nfs/dbraw/zinc/27/91/23/207279123.db2.gz COHFJMYVVPLGQD-UHFFFAOYSA-N 1 0 392.543 4.611 10 0 GJAERO COc1ccc(-c2nc(C[N@H+](CC3CC3)C[C@@H]3CCCO3)c(C)o2)c(C)c1C ZINC000012583293 221209459 /nfs/dbraw/zinc/20/94/59/221209459.db2.gz BPNGCRCACWMNOQ-IBGZPJMESA-N 1 0 384.520 4.666 10 0 GJAERO Fc1cc(F)cc(-n2ncc3c2CCC[C@@H]3[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000015072528 221330874 /nfs/dbraw/zinc/33/08/74/221330874.db2.gz OEGRYFXUCRBFRI-NRFANRHFSA-N 1 0 378.426 4.799 10 0 GJAERO Clc1ccc(-c2nc(NCC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073684423 526934387 /nfs/dbraw/zinc/93/43/87/526934387.db2.gz XQUIGMROFBDCQN-UHFFFAOYSA-N 1 0 378.907 4.876 10 0 GJAERO CCCC(=O)N(c1ccc(C)cc1)C1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000034683351 570300929 /nfs/dbraw/zinc/30/09/29/570300929.db2.gz KMIJCHCDALJLFP-UHFFFAOYSA-N 1 0 396.531 4.507 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000022936007 570338863 /nfs/dbraw/zinc/33/88/63/570338863.db2.gz KBIDPTKKUIIHFH-IBGZPJMESA-N 1 0 388.939 4.502 10 0 GJAERO COc1cc(C[NH2+]CCCn2ccnc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000010314128 570568522 /nfs/dbraw/zinc/56/85/22/570568522.db2.gz RQFMHPXDRRHQNE-UHFFFAOYSA-N 1 0 399.922 4.612 10 0 GJAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000013719609 570780112 /nfs/dbraw/zinc/78/01/12/570780112.db2.gz HDBNJEIDFFHVJC-UHFFFAOYSA-N 1 0 375.484 4.710 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000013720323 570780132 /nfs/dbraw/zinc/78/01/32/570780132.db2.gz MNAPKBZVEDRYOZ-UHFFFAOYSA-N 1 0 381.447 4.712 10 0 GJAERO CCCCC[NH+]1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000090441201 206296660 /nfs/dbraw/zinc/29/66/60/206296660.db2.gz PZMVXRVJLVTDRM-UHFFFAOYSA-N 1 0 375.315 4.718 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]CCc2ccccc2)cc1OCC ZINC000020932324 207221215 /nfs/dbraw/zinc/22/12/15/207221215.db2.gz DCFZDZCVCZMHNU-UHFFFAOYSA-N 1 0 392.337 4.969 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000022936278 207264551 /nfs/dbraw/zinc/26/45/51/207264551.db2.gz QBXWPMLSASDLAR-LJQANCHMSA-N 1 0 388.939 4.502 10 0 GJAERO Cc1ccc(-n2cc(C[N@H+](C)CC3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012572115 221208591 /nfs/dbraw/zinc/20/85/91/221208591.db2.gz ZPUKUYRTVSMBMU-UHFFFAOYSA-N 1 0 393.506 4.845 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000013720584 221283893 /nfs/dbraw/zinc/28/38/93/221283893.db2.gz OTXMIJGHPUWLMN-UHFFFAOYSA-N 1 0 377.484 4.881 10 0 GJAERO CCCCOCCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000013719957 221284505 /nfs/dbraw/zinc/28/45/05/221284505.db2.gz LKYNNCOIMNSUKF-UHFFFAOYSA-N 1 0 392.927 4.619 10 0 GJAERO c1ccc(C[NH+]2CCN(c3nc4ccccc4c(Nc4ccccc4)n3)CC2)cc1 ZINC000072260385 136167772 /nfs/dbraw/zinc/16/77/72/136167772.db2.gz JWUJEUIBPFTEOH-UHFFFAOYSA-N 1 0 395.510 4.696 10 0 GJAERO CC(C)(C)[NH2+]CCCCOc1c(Br)cccc1Br ZINC000053568158 222011797 /nfs/dbraw/zinc/01/17/97/222011797.db2.gz XONGDRHGAOVDCT-UHFFFAOYSA-N 1 0 379.136 4.759 10 0 GJAERO CC(C)c1cc(NC[C@H]2CCC[NH2+]C2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073684933 519833521 /nfs/dbraw/zinc/83/35/21/519833521.db2.gz HZCPZRIJIXWOEH-AWEZNQCLSA-N 1 0 378.442 4.697 10 0 GJAERO CCCOc1ccc(C[NH2+]CCc2ccccc2OC)cc1Br ZINC000020926120 570284878 /nfs/dbraw/zinc/28/48/78/570284878.db2.gz YAPXXCUKPYGAEM-UHFFFAOYSA-N 1 0 378.310 4.579 10 0 GJAERO CCC[NH2+]Cc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 ZINC000020873845 570287893 /nfs/dbraw/zinc/28/78/93/570287893.db2.gz IXGKXJXTNALTSZ-UHFFFAOYSA-N 1 0 378.310 4.845 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2C)o1 ZINC000035805197 570558140 /nfs/dbraw/zinc/55/81/40/570558140.db2.gz IVZMSNINTOSBDG-MRXNPFEDSA-N 1 0 377.326 4.591 10 0 GJAERO CCOc1c(Br)cc(C[NH2+][C@H](C)CCc2ccccc2)cc1OC ZINC000013726004 570863840 /nfs/dbraw/zinc/86/38/40/570863840.db2.gz BTBIRIMTSWPGPR-OAHLLOKOSA-N 1 0 392.337 4.967 10 0 GJAERO COc1ccccc1-c1cc2c(c(OC)c1)OCC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000020293883 207186266 /nfs/dbraw/zinc/18/62/66/207186266.db2.gz VQVUEBNQTMLSJK-GOSISDBHSA-N 1 0 379.500 4.922 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000022936000 207264781 /nfs/dbraw/zinc/26/47/81/207264781.db2.gz WEYJZEIUIYNDAU-HXUWFJFHSA-N 1 0 388.939 4.502 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000022936871 207265961 /nfs/dbraw/zinc/26/59/61/207265961.db2.gz CYJAUTFCEUSTEY-FQEVSTJZSA-N 1 0 381.951 4.917 10 0 GJAERO CC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010435764 221102809 /nfs/dbraw/zinc/10/28/09/221102809.db2.gz RQPQCSTYRWAAGN-UHFFFAOYSA-N 1 0 399.126 4.900 10 0 GJAERO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000011821190 221128985 /nfs/dbraw/zinc/12/89/85/221128985.db2.gz LUCZPERSXHKXDZ-KRWDZBQOSA-N 1 0 394.902 4.992 10 0 GJAERO CN(Cc1ccc2ccccc2n1)C[C@H]1CCC[N@H+](CCc2ccc(F)cc2)C1 ZINC000011938368 221138726 /nfs/dbraw/zinc/13/87/26/221138726.db2.gz RGYQWQPYKSRBDA-OAQYLSRUSA-N 1 0 391.534 4.760 10 0 GJAERO CC(=O)c1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cc1 ZINC000012093374 221150312 /nfs/dbraw/zinc/15/03/12/221150312.db2.gz WSIHLWMZRITVSC-RUZDIDTESA-N 1 0 396.575 4.788 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccccc1Cl ZINC000013717479 221284253 /nfs/dbraw/zinc/28/42/53/221284253.db2.gz LMTBJOGVNCOJJP-SFHVURJKSA-N 1 0 375.896 4.586 10 0 GJAERO CCOc1c(Br)cc(C[NH2+]C(C)(C)CC)cc1Br ZINC000013725167 221284340 /nfs/dbraw/zinc/28/43/40/221284340.db2.gz FISAMFXZKRSEHR-UHFFFAOYSA-N 1 0 379.136 4.889 10 0 GJAERO CCc1cc([C@H]2CCCN2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1 ZINC000064984364 570757307 /nfs/dbraw/zinc/75/73/07/570757307.db2.gz BQAXJABTMJMEDO-HSZRJFAPSA-N 1 0 397.563 4.959 10 0 GJAERO CC(C)n1ccc(C[N@@H+]2CC[C@@H](c3ccnc(-c4ccc5c(c4)OCO5)c3)C2)c1 ZINC000065528717 570772397 /nfs/dbraw/zinc/77/23/97/570772397.db2.gz ZOIVZTLHBOGWMV-OAQYLSRUSA-N 1 0 389.499 4.849 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2cccc(C)c2)c(OC)c1 ZINC000013720581 570780145 /nfs/dbraw/zinc/78/01/45/570780145.db2.gz AGTSXMOKXWQGOB-UHFFFAOYSA-N 1 0 377.484 4.881 10 0 GJAERO C[C@H]1C[N@H+](CCc2ccccc2)CC[C@H]1N(C(=O)C(F)(F)F)c1ccccc1 ZINC000255967378 206284847 /nfs/dbraw/zinc/28/48/47/206284847.db2.gz COBJQZALHHFWCU-FXAWDEMLSA-N 1 0 390.449 4.535 10 0 GJAERO COc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874967 207218384 /nfs/dbraw/zinc/21/83/84/207218384.db2.gz KAJZBEQUZMARNX-GOSISDBHSA-N 1 0 375.896 4.505 10 0 GJAERO CCc1cc2c(ncnc2NCC2CC[NH+](Cc3ccc(F)cc3)CC2)s1 ZINC000021716295 207234934 /nfs/dbraw/zinc/23/49/34/207234934.db2.gz VFDPHQYGOSRWQJ-UHFFFAOYSA-N 1 0 384.524 4.717 10 0 GJAERO CC1(C)CC(NC(=S)N(Cc2ccccc2)Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000020285896 208808628 /nfs/dbraw/zinc/80/86/28/208808628.db2.gz BKOXMARGJJFXDE-UHFFFAOYSA-N 1 0 395.616 4.873 10 0 GJAERO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 ZINC000011821494 221129741 /nfs/dbraw/zinc/12/97/41/221129741.db2.gz NGHNQPQGAFGYGZ-GOSISDBHSA-N 1 0 386.927 4.562 10 0 GJAERO O=C(CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1)NCc1ccccc1F ZINC000013596461 221276552 /nfs/dbraw/zinc/27/65/52/221276552.db2.gz GEIYGRSCSOPTQI-QGZVFWFLSA-N 1 0 388.914 4.788 10 0 GJAERO COCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000013722633 221284796 /nfs/dbraw/zinc/28/47/96/221284796.db2.gz LOHLCFYQJHVGNS-UHFFFAOYSA-N 1 0 398.728 4.808 10 0 GJAERO Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(Cl)cc3)[N@@H+]3CCC[C@@]23C1=O ZINC000015063841 221327807 /nfs/dbraw/zinc/32/78/07/221327807.db2.gz RFKVAWXGJIUVDB-RRPUWOKSSA-N 1 0 380.919 4.586 10 0 GJAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2oc3ccc(Cl)cc3c2C)CC1 ZINC000104875944 136191303 /nfs/dbraw/zinc/19/13/03/136191303.db2.gz PBMPPFBOPSTVSY-UHFFFAOYSA-N 1 0 397.906 4.789 10 0 GJAERO COc1ccc(CC[NH2+]Cc2ccccc2OCc2ccc(C)cc2)cc1OC ZINC000020873611 570282973 /nfs/dbraw/zinc/28/29/73/570282973.db2.gz GSNRQVHHTUBIPR-UHFFFAOYSA-N 1 0 391.511 4.924 10 0 GJAERO CCOc1cc(C[NH2+]C[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874836 570283062 /nfs/dbraw/zinc/28/30/62/570283062.db2.gz OYMWJSVCYXGCQZ-IBGZPJMESA-N 1 0 389.923 4.895 10 0 GJAERO Cc1cc(Br)ccc1-c1ccc(C[NH2+]C[C@H](O)c2ccccc2)o1 ZINC000020875957 570283344 /nfs/dbraw/zinc/28/33/44/570283344.db2.gz YPKINUGAZAAPLW-IBGZPJMESA-N 1 0 386.289 4.841 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Br)c(Cl)c1 ZINC000675053230 570310116 /nfs/dbraw/zinc/31/01/16/570310116.db2.gz HMXKKKWCTKZYJU-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1ccc(Br)cc1Cl ZINC000675054211 570321528 /nfs/dbraw/zinc/32/15/28/570321528.db2.gz MMNCXKMCTJOZFY-FZMZJTMJSA-N 1 0 389.721 4.502 10 0 GJAERO COc1ccccc1C[NH2+]Cc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000013720587 570780022 /nfs/dbraw/zinc/78/00/22/570780022.db2.gz KONGZUFSYSLIJE-UHFFFAOYSA-N 1 0 377.484 4.881 10 0 GJAERO CCOc1cc(C[NH2+]CCCOC)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013722603 570780833 /nfs/dbraw/zinc/78/08/33/570780833.db2.gz XIYHOXFPVQLTML-UHFFFAOYSA-N 1 0 377.912 4.752 10 0 GJAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccccc1F ZINC000013727014 570782213 /nfs/dbraw/zinc/78/22/13/570782213.db2.gz KOFPIIJVFFPQMN-UHFFFAOYSA-N 1 0 395.902 4.709 10 0 GJAERO C[N@@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@]13C[C@H]4C[C@@H](C1)C[C@](Cl)(C4)C3)CCC2 ZINC000257198850 717177939 /nfs/dbraw/zinc/17/79/39/717177939.db2.gz KBOAUZXZOYOMEX-DAERCSJQSA-N 1 0 380.980 4.517 10 0 GJAERO C[N@+]12CCCC[C@H]1[C@@H](COC(=O)[C@@]13C[C@H]4C[C@@H](C1)C[C@](Cl)(C4)C3)CCC2 ZINC000257198851 717178039 /nfs/dbraw/zinc/17/80/39/717178039.db2.gz KBOAUZXZOYOMEX-HNGJWVTBSA-N 1 0 380.980 4.517 10 0 GJAERO CCOc1c(Br)cc(C[NH2+]CCC(C)C)cc1Br ZINC000013724543 206994225 /nfs/dbraw/zinc/99/42/25/206994225.db2.gz MPNAUFOEYOROJF-UHFFFAOYSA-N 1 0 379.136 4.746 10 0 GJAERO CCCOc1c(C[NH2+]Cc2ccc(F)cc2)cc(Br)cc1OC ZINC000020934276 207221286 /nfs/dbraw/zinc/22/12/86/207221286.db2.gz JRYYOMFNVKLCIG-UHFFFAOYSA-N 1 0 382.273 4.675 10 0 GJAERO Cc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)N(C)C)c4ccccc43)CC2)s1 ZINC000096052706 208255884 /nfs/dbraw/zinc/25/58/84/208255884.db2.gz XRSSJZLLZYISFZ-GOSISDBHSA-N 1 0 382.573 4.556 10 0 GJAERO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000011842279 221132318 /nfs/dbraw/zinc/13/23/18/221132318.db2.gz XCRFECSLSWZYCQ-RUZDIDTESA-N 1 0 389.543 4.536 10 0 GJAERO CCOc1c(C[NH2+][C@@H](C)CCc2ccccc2)cc(Br)cc1OC ZINC000013726680 221285119 /nfs/dbraw/zinc/28/51/19/221285119.db2.gz GLTVCBYLJHOIOO-HNNXBMFYSA-N 1 0 392.337 4.967 10 0 GJAERO Cc1ccc(COc2ccc(Br)cc2C[NH2+]CCCCCO)cc1 ZINC000013727246 221285210 /nfs/dbraw/zinc/28/52/10/221285210.db2.gz RTHGJIKOIBEZIW-UHFFFAOYSA-N 1 0 392.337 4.589 10 0 GJAERO CN1N=C2/C(=C/c3ccc(Cl)cc3)C[N@@H+](C)C[C@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000085388992 222323659 /nfs/dbraw/zinc/32/36/59/222323659.db2.gz MHGDGQYNRJRIMN-RMKCNFRFSA-N 1 0 386.326 4.981 10 0 GJAERO CCCOc1ccc(Br)cc1C[NH2+]CCc1ccc(OC)cc1 ZINC000020929331 570288219 /nfs/dbraw/zinc/28/82/19/570288219.db2.gz MILQITDIVVIWRU-UHFFFAOYSA-N 1 0 378.310 4.579 10 0 GJAERO CCN1CCC[C@H]1C[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000035805188 570558177 /nfs/dbraw/zinc/55/81/77/570558177.db2.gz FQHPAPCYRHJZEA-AWEZNQCLSA-N 1 0 397.744 4.936 10 0 GJAERO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(-c2ccc(Br)c(C)c2)o1 ZINC000035805190 570558458 /nfs/dbraw/zinc/55/84/58/570558458.db2.gz LRKRKEDRNSNJOA-MRXNPFEDSA-N 1 0 377.326 4.591 10 0 GJAERO Cc1ccc(C[NH+]2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)s1 ZINC000055199204 570686893 /nfs/dbraw/zinc/68/68/93/570686893.db2.gz DWKRUHRFAZYQDQ-UHFFFAOYSA-N 1 0 398.572 4.726 10 0 GJAERO CC(C)C[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C ZINC000040721112 570991101 /nfs/dbraw/zinc/99/11/01/570991101.db2.gz HPCFTQGNISWNPT-UHFFFAOYSA-N 1 0 379.136 4.744 10 0 GJAERO Nc1ccccc1NC(=O)c1ccc(-c2ncc(C[NH+]3CCCCC3)s2)cc1 ZINC000003818920 206493666 /nfs/dbraw/zinc/49/36/66/206493666.db2.gz MNODIKQCUVLSDW-UHFFFAOYSA-N 1 0 392.528 4.631 10 0 GJAERO CCOc1cccc(C[NH2+]CCN(C)C)c1OCc1ccc(Cl)cc1Cl ZINC000022937131 207265774 /nfs/dbraw/zinc/26/57/74/207265774.db2.gz IRKPPSODMGPQRS-UHFFFAOYSA-N 1 0 397.346 4.622 10 0 GJAERO CC(C)[C@@H](NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[NH+](C)C ZINC000095933295 208238867 /nfs/dbraw/zinc/23/88/67/208238867.db2.gz DOMOYTICELDRIG-LBPRGKRZSA-N 1 0 387.393 4.554 10 0 GJAERO CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1OCc1ccc(Cl)cc1 ZINC000013717475 221284129 /nfs/dbraw/zinc/28/41/29/221284129.db2.gz ANUKBRGRUBADQT-IBGZPJMESA-N 1 0 375.896 4.586 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1 ZINC000013718653 221284635 /nfs/dbraw/zinc/28/46/35/221284635.db2.gz WUZWEFHPBMKKNS-UHFFFAOYSA-N 1 0 377.484 4.615 10 0 GJAERO CC[NH+](CC)CCCNCc1cccc(OC)c1OCc1ccccc1Cl ZINC000013734145 221285556 /nfs/dbraw/zinc/28/55/56/221285556.db2.gz BOMMZKVHEVVJIR-UHFFFAOYSA-N 1 0 390.955 4.749 10 0 GJAERO CCOc1cc(C[NH2+]CCCCCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013727252 221285671 /nfs/dbraw/zinc/28/56/71/221285671.db2.gz KYIGGZOARGSQCU-UHFFFAOYSA-N 1 0 391.939 4.878 10 0 GJAERO CC(C)(C)OC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000309680855 526494213 /nfs/dbraw/zinc/49/42/13/526494213.db2.gz YVSJDIDTUPXEER-PMACEKPBSA-N 1 0 386.923 4.833 10 0 GJAERO Brc1cc([C@@H]2[NH2+]CCc3ccsc32)sc1Br ZINC000712526843 570328313 /nfs/dbraw/zinc/32/83/13/570328313.db2.gz ZROGUCFGSQCQRX-VIFPVBQESA-N 1 0 379.142 4.570 10 0 GJAERO CC(=O)N(CC(C)C)C[C@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccccc1 ZINC000105049982 570913963 /nfs/dbraw/zinc/91/39/63/570913963.db2.gz XVIDBDSZUUMNIP-FGZHOGPDSA-N 1 0 384.589 4.777 10 0 GJAERO CCOC(=O)NC[C@](CC[NH+]1CCCC1)(c1cccc2ccccc21)C(C)C ZINC000006403181 206295122 /nfs/dbraw/zinc/29/51/22/206295122.db2.gz XIWMPEQIESXBSI-DEOSSOPVSA-N 1 0 382.548 4.966 10 0 GJAERO Cc1ncc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(-c4ccco4)cc3)C2)s1 ZINC000014975992 207036841 /nfs/dbraw/zinc/03/68/41/207036841.db2.gz HOOLQTPUDOSOMB-KRWDZBQOSA-N 1 0 381.501 4.562 10 0 GJAERO Cc1n[nH]c(C)c1CC[NH2+]Cc1cc2ccc(F)cc2nc1-c1ccsc1 ZINC000019939443 207171083 /nfs/dbraw/zinc/17/10/83/207171083.db2.gz DANSRBHVCHXZLX-UHFFFAOYSA-N 1 0 380.492 4.775 10 0 GJAERO CCN(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2c(OC)ccc3ccccc32)C1 ZINC000020601084 207205727 /nfs/dbraw/zinc/20/57/27/207205727.db2.gz FXHXNJTXTZZEPO-JOCHJYFZSA-N 1 0 389.543 4.730 10 0 GJAERO CC[N@H+](Cc1ccncc1)[C@H]1CCCN(Cc2ccc3cc(Cl)ccc3n2)C1 ZINC000022914423 207263995 /nfs/dbraw/zinc/26/39/95/207263995.db2.gz OVFRKYVSRAAKIF-QFIPXVFZSA-N 1 0 394.950 4.770 10 0 GJAERO O=C(c1ccco1)N(c1ccc(F)cc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000252492234 209034963 /nfs/dbraw/zinc/03/49/63/209034963.db2.gz MGEQOAJOFFXWTR-UHFFFAOYSA-N 1 0 392.474 4.773 10 0 GJAERO CC[C@H](CO)[NH2+]Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000010315533 221100569 /nfs/dbraw/zinc/10/05/69/221100569.db2.gz OUTBNARNNLOJDZ-QGZVFWFLSA-N 1 0 377.315 4.857 10 0 GJAERO COc1cccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](CC(C)C)CC2)c1 ZINC000034682691 533573544 /nfs/dbraw/zinc/57/35/44/533573544.db2.gz PQFBHQBOTQTYBT-UHFFFAOYSA-N 1 0 380.532 4.771 10 0 GJAERO CCc1cc([C@@H]2CCCN2Cc2ccc(OC)cc2C[NH+]2CCCCCC2)on1 ZINC000064984362 222092098 /nfs/dbraw/zinc/09/20/98/222092098.db2.gz BQAXJABTMJMEDO-QHCPKHFHSA-N 1 0 397.563 4.959 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]Cc2ccccc2OC)cc1OC ZINC000020933063 570288392 /nfs/dbraw/zinc/28/83/92/570288392.db2.gz LPMLFCAGGNLJDO-UHFFFAOYSA-N 1 0 394.309 4.545 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1ccc(Cl)c(Br)c1 ZINC000675055763 570900473 /nfs/dbraw/zinc/90/04/73/570900473.db2.gz XRATXSMANQYPML-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)c(Br)c1 ZINC000675055764 570900619 /nfs/dbraw/zinc/90/06/19/570900619.db2.gz XRATXSMANQYPML-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@@H]([NH3+])C[C@H]1c1cc(Br)ccc1Cl ZINC000675055818 570901087 /nfs/dbraw/zinc/90/10/87/570901087.db2.gz ZALXQJGXZRCNML-RISCZKNCSA-N 1 0 389.721 4.502 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+]C(C)(C)C)cc1Br ZINC000020926659 206261723 /nfs/dbraw/zinc/26/17/23/206261723.db2.gz PUMJNFURKHGEIS-UHFFFAOYSA-N 1 0 379.136 4.889 10 0 GJAERO CCOC(=O)NC[C@@](CC[NH+]1CCCC1)(c1cccc2ccccc21)C(C)C ZINC000005202526 206293207 /nfs/dbraw/zinc/29/32/07/206293207.db2.gz XIWMPEQIESXBSI-XMMPIXPASA-N 1 0 382.548 4.966 10 0 GJAERO COc1ccc(C2=[NH+][C@H](c3ccc(OC)cc3)[C@@H](c3ccc(OC)cc3)N2)cc1 ZINC000003793892 206292855 /nfs/dbraw/zinc/29/28/55/206292855.db2.gz COFINZKQFSLCKX-DHIUTWEWSA-N 1 0 388.467 4.545 10 0 GJAERO Cc1nc(N2CCC[C@H]([NH2+]C3(c4ccccc4)CC3)CC2)nc2ccc(F)cc12 ZINC000012278598 206877572 /nfs/dbraw/zinc/87/75/72/206877572.db2.gz QIKATULQTJMUJJ-FQEVSTJZSA-N 1 0 390.506 4.715 10 0 GJAERO COc1cc(Br)cc(C[NH2+][C@@H](C)CCc2ccccc2)c1OC ZINC000020934011 207220951 /nfs/dbraw/zinc/22/09/51/207220951.db2.gz FPNADRMVUFNGDW-AWEZNQCLSA-N 1 0 378.310 4.577 10 0 GJAERO [NH3+][C@H]1CCCC[C@@H]1Nc1nc2ccccc2n1Cc1ccc(Br)cc1 ZINC000095077381 208151665 /nfs/dbraw/zinc/15/16/65/208151665.db2.gz OVDLVFUAQPWHRU-IRXDYDNUSA-N 1 0 399.336 4.529 10 0 GJAERO CC(=O)c1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC2CCCCC2)C3)cc1 ZINC000012093375 221150746 /nfs/dbraw/zinc/15/07/46/221150746.db2.gz WSIHLWMZRITVSC-VWLOTQADSA-N 1 0 396.575 4.788 10 0 GJAERO CCCCOCCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F ZINC000013719605 221283971 /nfs/dbraw/zinc/28/39/71/221283971.db2.gz PDJFYPZSAWCKHS-UHFFFAOYSA-N 1 0 375.484 4.710 10 0 GJAERO CCCCCC[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)c(OCC)c1 ZINC000013729612 221285107 /nfs/dbraw/zinc/28/51/07/221285107.db2.gz WZBZPAWNVRULSC-UHFFFAOYSA-N 1 0 395.507 4.523 10 0 GJAERO CC[NH+]1CCN(c2ccccc2NC(=O)c2sc3cccc(F)c3c2C)CC1 ZINC000104890685 136191322 /nfs/dbraw/zinc/19/13/22/136191322.db2.gz ADLDAOKTXGBQLK-UHFFFAOYSA-N 1 0 397.519 4.743 10 0 GJAERO FC(F)(F)C(F)(F)SCCC[NH2+]Cc1cccc(Br)c1 ZINC000095918380 222361152 /nfs/dbraw/zinc/36/11/52/222361152.db2.gz YRFLTKZQXIKRMO-UHFFFAOYSA-N 1 0 378.204 4.817 10 0 GJAERO Cc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)N(C)C)c4ccccc43)CC2)s1 ZINC000096052705 222374973 /nfs/dbraw/zinc/37/49/73/222374973.db2.gz XRSSJZLLZYISFZ-SFHVURJKSA-N 1 0 382.573 4.556 10 0 GJAERO FC(F)(F)c1ccc(-c2nc(-c3ccccc3)cc(N3CCC[NH2+]CC3)n2)cc1 ZINC000073663422 527681509 /nfs/dbraw/zinc/68/15/09/527681509.db2.gz GDDASKPRZRDJFD-UHFFFAOYSA-N 1 0 398.432 4.629 10 0 GJAERO FC(F)(F)c1ccc(-c2nc(NC3CC[NH2+]CC3)cc(-c3ccccc3)n2)cc1 ZINC000073662960 527681608 /nfs/dbraw/zinc/68/16/08/527681608.db2.gz VTWMZGTXLLIUSQ-UHFFFAOYSA-N 1 0 398.432 4.993 10 0 GJAERO CCOc1cc(C[NH2+]C[C@H]2CCCO2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000020874839 570283020 /nfs/dbraw/zinc/28/30/20/570283020.db2.gz OYMWJSVCYXGCQZ-LJQANCHMSA-N 1 0 389.923 4.895 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@H]1c1cccc(Br)c1Cl ZINC000675052741 570301637 /nfs/dbraw/zinc/30/16/37/570301637.db2.gz DFVLMNAFVSMPAM-GWCFXTLKSA-N 1 0 389.721 4.502 10 0 GJAERO CC[N@@H+]1CCC[C@H]1CNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936911 570338566 /nfs/dbraw/zinc/33/85/66/570338566.db2.gz AAAHRWWYPKWRDY-FQEVSTJZSA-N 1 0 388.939 4.502 10 0 GJAERO COc1cc(Br)cc(C[NH2+]CC(C)C)c1OCc1ccccc1 ZINC000010474870 570791035 /nfs/dbraw/zinc/79/10/35/570791035.db2.gz HNYSZTQPNHZBMV-UHFFFAOYSA-N 1 0 378.310 4.782 10 0 GJAERO CC(C)(C)OC(=O)N1CC[C@H]([NH3+])C[C@@H]1c1ccc(Cl)cc1Br ZINC000675055473 570899275 /nfs/dbraw/zinc/89/92/75/570899275.db2.gz SYCCJWFQVAXHBK-SMDDNHRTSA-N 1 0 389.721 4.502 10 0 GJAERO COc1ccc(C2=[NH+][C@@H](c3ccc(OC)cc3)[C@H](c3ccc(OC)cc3)N2)cc1 ZINC000000586999 212143261 /nfs/dbraw/zinc/14/32/61/212143261.db2.gz COFINZKQFSLCKX-GOTSBHOMSA-N 1 0 388.467 4.545 10 0 GJAERO CC(C)(CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000020876421 207217677 /nfs/dbraw/zinc/21/76/77/207217677.db2.gz XCOFGXGXWGWQBY-UHFFFAOYSA-N 1 0 398.728 4.542 10 0 GJAERO CC(C)(C)C(=O)N[C@H](c1nccs1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000012365672 221185444 /nfs/dbraw/zinc/18/54/44/221185444.db2.gz MTMLMCPCLZACQL-SFHVURJKSA-N 1 0 377.598 4.639 10 0 GJAERO CCOc1cccc(C[NH2+]CCCCCO)c1OCc1ccc(Cl)cc1 ZINC000013727354 221285501 /nfs/dbraw/zinc/28/55/01/221285501.db2.gz LRIPRDQJKJSFCG-UHFFFAOYSA-N 1 0 377.912 4.570 10 0 GJAERO CC[NH+](CC)CCCNC(=O)c1cc(C)nc2c(-c3ccccc3)cccc12 ZINC000033036649 221767822 /nfs/dbraw/zinc/76/78/22/221767822.db2.gz GHHRQVTUKUJPRH-UHFFFAOYSA-N 1 0 375.516 4.672 10 0 GJAERO Cc1ccc(C)c(C[NH+]2CCC3(CCC(=O)N3OCc3ccccc3F)CC2)c1 ZINC000072128044 222209699 /nfs/dbraw/zinc/20/96/99/222209699.db2.gz GAHSYXCNGPQEKI-UHFFFAOYSA-N 1 0 396.506 4.531 10 0 GJAERO CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]([NH+](Cc3ccccc3)Cc3ccccc3)[C@@H]2C1 ZINC000306610124 526427763 /nfs/dbraw/zinc/42/77/63/526427763.db2.gz ZURLNOYOJQYMFZ-YTFSRNRJSA-N 1 0 392.543 4.944 10 0 GJAERO Clc1ccc(-c2nc(NC[C@H]3CCC[NH2+]C3)cc(-c3ccccc3)n2)cc1 ZINC000073684999 526935657 /nfs/dbraw/zinc/93/56/57/526935657.db2.gz BENZPSBYEAPRKY-INIZCTEOSA-N 1 0 378.907 4.876 10 0 GJAERO CCCCOCCC[NH2+]Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000020933057 570288323 /nfs/dbraw/zinc/28/83/23/570288323.db2.gz NJWNQDTUIZHIFI-UHFFFAOYSA-N 1 0 388.346 4.543 10 0 GJAERO CCC1=Nc2cc(C(=O)NCC[NH+]3CCCC3)ccc2Sc2ccccc21 ZINC000004929490 570371601 /nfs/dbraw/zinc/37/16/01/570371601.db2.gz QPMXHORWYURHBB-UHFFFAOYSA-N 1 0 379.529 4.508 10 0 GJAERO COc1ccccc1CC[NH2+]Cc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000013719192 570779711 /nfs/dbraw/zinc/77/97/11/570779711.db2.gz LDELDHQOJJSNIZ-UHFFFAOYSA-N 1 0 391.511 4.658 10 0 GJAERO CC(=O)N(CC(C)C)C[C@@H]1C[N@H+](Cc2sccc2C)C[C@@H]1c1ccccc1 ZINC000105049979 570913798 /nfs/dbraw/zinc/91/37/98/570913798.db2.gz XVIDBDSZUUMNIP-FCHUYYIVSA-N 1 0 384.589 4.777 10 0 GJAERO CCCOc1c(Br)cc(C[NH2+][C@@H](C)CC)cc1Br ZINC000020926824 207221760 /nfs/dbraw/zinc/22/17/60/207221760.db2.gz ZZMZGYUTZYSXSI-JTQLQIEISA-N 1 0 379.136 4.889 10 0 GJAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)cc(OC)c1OCc1ccccc1 ZINC000022936908 207265059 /nfs/dbraw/zinc/26/50/59/207265059.db2.gz AAAHRWWYPKWRDY-HXUWFJFHSA-N 1 0 388.939 4.502 10 0 GJAERO CC[NH+](CC)CCCNCc1cc(Cl)c(OCc2ccccc2)c(OC)c1 ZINC000013734292 221285551 /nfs/dbraw/zinc/28/55/51/221285551.db2.gz GLPLQDJBHLHQBR-UHFFFAOYSA-N 1 0 390.955 4.749 10 0 GJAERO COc1ccc(C[NH2+]Cc2cccc(OC)c2OCc2ccc(C)cc2)cc1 ZINC000020874017 570283183 /nfs/dbraw/zinc/28/31/83/570283183.db2.gz VIFKIMQMPHTBST-UHFFFAOYSA-N 1 0 377.484 4.881 10 0 GJAERO CC[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)ccc1OCc1ccccc1F ZINC000022936332 570338689 /nfs/dbraw/zinc/33/86/89/570338689.db2.gz JFTPLSZWQKVBOZ-LJQANCHMSA-N 1 0 376.903 4.632 10 0 GJAERO O=C(CCCN1CCC(n2c3ccccc3[nH]c2=S)CC1)c1ccc(F)cc1 ZINC000003873392 570352525 /nfs/dbraw/zinc/35/25/25/570352525.db2.gz YDLQKLWVKKFPII-UHFFFAOYSA-N 1 0 397.519 4.764 10 0 in-man GJAERO Cc1nc2ccccc2c2oc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000004902353 570360571 /nfs/dbraw/zinc/36/05/71/570360571.db2.gz VKGRLGFTSUEGPM-UHFFFAOYSA-N 1 0 399.494 4.684 10 0 GJAERO