smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(Nc2cccc(Br)c2)c2ccccc2[nH+]1 ZINC000000303292 563607312 /nfs/dbraw/zinc/60/73/12/563607312.db2.gz MHXGKAPEFLBBDT-UHFFFAOYSA-N 1 0 313.198 5.049 40 0 DKABRO CC(=O)c1ccc(Nc2cc(C)[nH+]c3c(C)cc(C)cc23)cc1 ZINC000000303347 563607458 /nfs/dbraw/zinc/60/74/58/563607458.db2.gz LBNKQGYYGRTRRD-UHFFFAOYSA-N 1 0 304.393 5.106 40 0 DKABRO Cc1cccn2c1nc(-c1ccc(F)cc1)c2NC1CCCCC1 ZINC000000412104 563608210 /nfs/dbraw/zinc/60/82/10/563608210.db2.gz FZRWAPCBKUEMEU-UHFFFAOYSA-N 1 0 323.415 5.193 40 0 DKABRO CC(C)CCNc1c(-c2ccccc2)nc2ccc(Cl)cn21 ZINC000000417099 563607991 /nfs/dbraw/zinc/60/79/91/563607991.db2.gz SASNXTIDTUXXAZ-UHFFFAOYSA-N 1 0 313.832 5.113 40 0 DKABRO Clc1ccc2nc(-c3ccccc3)c(NC3CCCC3)n2c1 ZINC000000417116 563608122 /nfs/dbraw/zinc/60/81/22/563608122.db2.gz CDGMGVGRYUGVFW-UHFFFAOYSA-N 1 0 311.816 5.009 40 0 DKABRO Clc1ccc(-c2nc3ccccn3c2NC2CCCC2)cc1 ZINC000000417873 563608878 /nfs/dbraw/zinc/60/88/78/563608878.db2.gz SAQLIMMILIJSHE-UHFFFAOYSA-N 1 0 311.816 5.009 40 0 DKABRO CC[C@](C/C=C/c1ccccc1)(c1ccccc1)[N@H+](C)CC1CC1 ZINC000001481860 563284056 /nfs/dbraw/zinc/28/40/56/563284056.db2.gz VCZSWYIFCKGTJI-YYVWFHOOSA-N 1 0 319.492 5.737 40 0 investigational DKABRO C[NH+](C)CCN1c2ccccc2Sc2ccc3ccccc3c21 ZINC000001561932 568412287 /nfs/dbraw/zinc/41/22/87/568412287.db2.gz KVZDHXUKCXSLNT-UHFFFAOYSA-N 1 0 320.461 5.004 40 0 DKABRO c1ccc(CN2Cc3c4ccccc4n(-c4ccccc4)c3C2)cc1 ZINC000001564986 568412302 /nfs/dbraw/zinc/41/23/02/568412302.db2.gz QWQWXDRTKPXTSX-UHFFFAOYSA-N 1 0 324.427 5.146 40 0 DKABRO Clc1ccc(-c2csc3sc4ccccc4[n+]23)cc1 ZINC000001579153 563285726 /nfs/dbraw/zinc/28/57/26/563285726.db2.gz PYMRBOKJRQKUQE-UHFFFAOYSA-N 1 0 302.831 5.022 40 0 DKABRO C[C@H](C[NH+]1CCCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000001593325 563286773 /nfs/dbraw/zinc/28/67/73/563286773.db2.gz MPWOHZULKLILMK-HXUWFJFHSA-N 1 0 321.508 5.721 40 0 DKABRO Cc1cccc(Nc2c3ccccc3[nH+]c3c2CCCCC3)c1 ZINC000001612112 563288251 /nfs/dbraw/zinc/28/82/51/563288251.db2.gz KBJMBDBIYWQHOE-UHFFFAOYSA-N 1 0 302.421 5.556 40 0 DKABRO c1ccc(C(CC[NH+]2CC3CCC(CC3)C2)c2ccccc2)cc1 ZINC000001615817 563288036 /nfs/dbraw/zinc/28/80/36/563288036.db2.gz BVFWWRRURIGDSE-UHFFFAOYSA-N 1 0 319.492 5.331 40 0 in-vitro DKABRO COc1ccc2cccc(C(=[NH2+])c3ccc(C)c4c3CCC4)c2c1 ZINC000001618242 563287977 /nfs/dbraw/zinc/28/79/77/563287977.db2.gz IVNBNEPYOUIZOL-UHFFFAOYSA-N 1 0 315.416 5.062 40 0 DKABRO CCCCC[NH+](/C=C/c1cc(Cl)ccc1OC)CCCCC ZINC000001653189 180884229 /nfs/dbraw/zinc/88/42/29/180884229.db2.gz DZWPNAUIQMNDCZ-NTCAYCPXSA-N 1 0 323.908 6.002 40 0 DKABRO C[NH+](C)[C@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000001664117 563289957 /nfs/dbraw/zinc/28/99/57/563289957.db2.gz HKGTVXFZIVFFNE-JOCHJYFZSA-N 1 0 301.433 5.121 40 0 DKABRO CCCC[NH+](CCCC)[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC000001665657 563290020 /nfs/dbraw/zinc/29/00/20/563290020.db2.gz WDLRYIZBHYATJE-OAQYLSRUSA-N 1 0 323.480 5.513 40 0 DKABRO CC1CC[NH+]([C@@H](Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000001667648 563289968 /nfs/dbraw/zinc/28/99/68/563289968.db2.gz DAXPKKPCMVPIPV-FQEVSTJZSA-N 1 0 313.872 5.356 40 0 DKABRO CC1CC[NH+]([C@H](Cc2ccccc2Cl)c2ccccc2)CC1 ZINC000001668049 563289993 /nfs/dbraw/zinc/28/99/93/563289993.db2.gz DAXPKKPCMVPIPV-HXUWFJFHSA-N 1 0 313.872 5.356 40 0 DKABRO CCCCC[C@@H](C)[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000001669477 563290063 /nfs/dbraw/zinc/29/00/63/563290063.db2.gz NVPQSFZHASRDRV-DUXKGJEZSA-N 1 0 311.469 5.020 40 0 DKABRO CCCCC[NH+](CCCCC)CCC(=O)c1ccc(Cl)cc1 ZINC000001671667 180886530 /nfs/dbraw/zinc/88/65/30/180886530.db2.gz RLLSIRVOEASIMB-UHFFFAOYSA-N 1 0 323.908 5.595 40 0 DKABRO C[NH+](C)[C@@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000001674715 563290491 /nfs/dbraw/zinc/29/04/91/563290491.db2.gz KEIVNLGRWMTGFA-OAHLLOKOSA-N 1 0 312.627 5.278 40 0 DKABRO CC(C)[NH+](CCOc1ccc(/C=C/c2ccccc2)cc1)C(C)C ZINC000001680909 563290944 /nfs/dbraw/zinc/29/09/44/563290944.db2.gz HJVFFLIPTQOMEC-ZHACJKMWSA-N 1 0 323.480 5.355 40 0 DKABRO Cc1cc(N2CCCCC2)nc2ccc(Cc3ccccc3)cc12 ZINC000001683241 563290962 /nfs/dbraw/zinc/29/09/62/563290962.db2.gz SXZFGNDBGSAWFF-UHFFFAOYSA-N 1 0 316.448 5.124 40 0 DKABRO c1ccc(C2=CC[N@H+](C3(c4ccccc4)CCCCC3)CC2)cc1 ZINC000001688532 563291282 /nfs/dbraw/zinc/29/12/82/563291282.db2.gz JVHUXNLWZQSPNF-UHFFFAOYSA-N 1 0 317.476 5.635 40 0 DKABRO CCCC[C@@H]([C@H](O)c1ccccc1)[NH+](CCCC)CCCC ZINC000001693424 180889057 /nfs/dbraw/zinc/88/90/57/180889057.db2.gz CYCMCHCNNVCAHO-VQTJNVASSA-N 1 0 305.506 5.181 40 0 DKABRO CCCC[C@H]([C@H](O)c1ccccc1)[NH+](CCCC)CCCC ZINC000001693425 180888948 /nfs/dbraw/zinc/88/89/48/180888948.db2.gz CYCMCHCNNVCAHO-WOJBJXKFSA-N 1 0 305.506 5.181 40 0 DKABRO CCCC[C@@H]([C@@H](O)c1ccccc1)[NH+](CCCC)CCCC ZINC000001693426 563291769 /nfs/dbraw/zinc/29/17/69/563291769.db2.gz CYCMCHCNNVCAHO-PMACEKPBSA-N 1 0 305.506 5.181 40 0 DKABRO CCCC[C@H]([C@@H](O)c1ccccc1)[NH+](CCCC)CCCC ZINC000001693427 563291665 /nfs/dbraw/zinc/29/16/65/563291665.db2.gz CYCMCHCNNVCAHO-UXHICEINSA-N 1 0 305.506 5.181 40 0 DKABRO CCCC[NH+](CCCC)CC[C@H](O)c1ccc2ccccc2c1 ZINC000001700108 563292072 /nfs/dbraw/zinc/29/20/72/563292072.db2.gz NAWBEGSDEPSJBD-NRFANRHFSA-N 1 0 313.485 5.166 40 0 DKABRO C[NH+](Cc1cccc2ccccc21)Cc1cccc2ccccc21 ZINC000001706229 180889779 /nfs/dbraw/zinc/88/97/79/180889779.db2.gz ZDYZHECSPYIYSS-UHFFFAOYSA-N 1 0 311.428 5.625 40 0 in-vitro DKABRO C[NH+](C)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1 ZINC000001706352 563292716 /nfs/dbraw/zinc/29/27/16/563292716.db2.gz PWNJESDRSFCUIL-UHFFFAOYSA-N 1 0 311.812 5.329 40 0 DKABRO CC(C)c1cccc(C(C)C)c1OCC[NH+](C(C)C)C(C)C ZINC000001707037 563292399 /nfs/dbraw/zinc/29/23/99/563292399.db2.gz DADJPUYXPUQLMV-UHFFFAOYSA-N 1 0 305.506 5.431 40 0 DKABRO C[NH+](C)[C@H]1CCCCC=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000001709222 563292464 /nfs/dbraw/zinc/29/24/64/563292464.db2.gz XBVCUFUGHGJSOO-VXKWHMMOSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)[C@@H]1CCCCC=C(c2ccccc2)[C@@H]1c1ccccc1 ZINC000001709223 563292650 /nfs/dbraw/zinc/29/26/50/563292650.db2.gz XBVCUFUGHGJSOO-YADHBBJMSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)Cc1ccccc1C=C(c1ccccc1)c1ccccc1 ZINC000001713601 563293201 /nfs/dbraw/zinc/29/32/01/563293201.db2.gz WJEVEXRAINOGTB-UHFFFAOYSA-N 1 0 313.444 5.337 40 0 DKABRO C[NH+](C)[C@H]1CCCC=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001715440 563293286 /nfs/dbraw/zinc/29/32/86/563293286.db2.gz RKMHWHDVOCKUOW-YADHBBJMSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)[C@@H]1CCCC=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001715441 563293033 /nfs/dbraw/zinc/29/30/33/563293033.db2.gz RKMHWHDVOCKUOW-FGZHOGPDSA-N 1 0 305.465 5.358 40 0 DKABRO CCc1c(-c2ccccc2)c(C[NH+]2CCCCC2)c2ccccn21 ZINC000001720407 563895829 /nfs/dbraw/zinc/89/58/29/563895829.db2.gz YEQQGSBQMJDKAE-UHFFFAOYSA-N 1 0 318.464 5.155 40 0 DKABRO c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1 ZINC000001722000 563293084 /nfs/dbraw/zinc/29/30/84/563293084.db2.gz AGOUUEWPLMNUJL-UHFFFAOYSA-N 1 0 309.388 6.562 40 0 DKABRO C[C@@H]1C[C@@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@@H+]1C ZINC000001726188 563294021 /nfs/dbraw/zinc/29/40/21/563294021.db2.gz QQSZFVCXPDARGG-PMPSAXMXSA-N 1 0 324.493 5.018 40 0 DKABRO C[NH+](C)[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000002048467 563298511 /nfs/dbraw/zinc/29/85/11/563298511.db2.gz HKGTVXFZIVFFNE-QFIPXVFZSA-N 1 0 301.433 5.121 40 0 DKABRO CC[C@@]1(C)C[C@@](CC[NH2+][C@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000002110731 563300341 /nfs/dbraw/zinc/30/03/41/563300341.db2.gz TWAQDSARJYWGDY-GIVPXCGWSA-N 1 0 317.517 5.349 40 0 DKABRO CCCC[NH+](CCCC)CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000002289896 563621466 /nfs/dbraw/zinc/62/14/66/563621466.db2.gz LKTJGVWHXYHFIU-HBFSDRIKSA-N 1 0 309.538 5.120 40 0 DKABRO CCCC[NH+](CCCC)CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C ZINC000002289897 563621438 /nfs/dbraw/zinc/62/14/38/563621438.db2.gz LKTJGVWHXYHFIU-GGPKGHCWSA-N 1 0 309.538 5.120 40 0 DKABRO CCCC[NH+](CCCC)CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000002289898 563621521 /nfs/dbraw/zinc/62/15/21/563621521.db2.gz LKTJGVWHXYHFIU-CMKODMSKSA-N 1 0 309.538 5.120 40 0 DKABRO C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000002380303 563302765 /nfs/dbraw/zinc/30/27/65/563302765.db2.gz HHPKBNPWCTVACB-GOSISDBHSA-N 1 0 317.432 5.116 40 0 DKABRO CCCCCCOc1ccccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000003149696 563942442 /nfs/dbraw/zinc/94/24/42/563942442.db2.gz LCYZWTKDGXYSFU-SFHVURJKSA-N 1 0 311.469 5.497 40 0 DKABRO CCCCCCOc1ccccc1C[NH2+][C@H](C)c1ccccc1 ZINC000003149697 563942449 /nfs/dbraw/zinc/94/24/49/563942449.db2.gz LCYZWTKDGXYSFU-GOSISDBHSA-N 1 0 311.469 5.497 40 0 DKABRO CCCCn1c(C)[n+](CCCC)c2cc(Cl)c(Cl)cc21 ZINC000003204262 180991930 /nfs/dbraw/zinc/99/19/30/180991930.db2.gz QYQSCZHOPAPTCR-UHFFFAOYSA-N 1 0 314.280 5.144 40 0 DKABRO C[NH+](C)CCOC1(CC2CCCCC2)CCC(C(C)(C)C)CC1 ZINC000003593043 181037932 /nfs/dbraw/zinc/03/79/32/181037932.db2.gz BFRIZLGWEJHUQF-UHFFFAOYSA-N 1 0 323.565 5.510 40 0 DKABRO CCC[C@@]1(O)C[C@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004030842 181065445 /nfs/dbraw/zinc/06/54/45/181065445.db2.gz PKBJXKBRDPQZEK-DXBBTUNJSA-N 1 0 323.480 5.020 40 0 DKABRO CCC[C@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004030843 181065013 /nfs/dbraw/zinc/06/50/13/181065013.db2.gz PKBJXKBRDPQZEK-KJJMTIBFSA-N 1 0 323.480 5.020 40 0 DKABRO CCC[C@@]1(O)C[C@@H](c2ccccc2)[NH2+][C@H](c2ccccc2)[C@@H]1CC ZINC000004030844 181065414 /nfs/dbraw/zinc/06/54/14/181065414.db2.gz PKBJXKBRDPQZEK-FNAHDJPLSA-N 1 0 323.480 5.020 40 0 DKABRO CC[C@@]1(C)C[C@@](CC[NH2+][C@@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000004073464 181069993 /nfs/dbraw/zinc/06/99/93/181069993.db2.gz TWAQDSARJYWGDY-JBACZVJFSA-N 1 0 317.517 5.349 40 0 DKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000004073466 181069518 /nfs/dbraw/zinc/06/95/18/181069518.db2.gz TWAQDSARJYWGDY-SESVDKBCSA-N 1 0 317.517 5.349 40 0 DKABRO CCn1c2ccccc2c2cc(C[NH2+]Cc3ccccc3)ccc21 ZINC000004188438 181082937 /nfs/dbraw/zinc/08/29/37/181082937.db2.gz VLPWRBUYUUSYND-UHFFFAOYSA-N 1 0 314.432 5.104 40 0 DKABRO C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004240739 181087045 /nfs/dbraw/zinc/08/70/45/181087045.db2.gz HHPKBNPWCTVACB-SFHVURJKSA-N 1 0 317.432 5.116 40 0 DKABRO Cc1cc2ccccc2n1/C=C/C1=[N+](C)c2ccccc2C1(C)C ZINC000004365581 181102850 /nfs/dbraw/zinc/10/28/50/181102850.db2.gz IRXNMOBZJCAZII-UHFFFAOYSA-N 1 0 315.440 5.127 40 0 DKABRO CC[C@](C/C=C\c1ccccc1)(c1ccccc1)[N@H+](C)CC1CC1 ZINC000004468883 181111508 /nfs/dbraw/zinc/11/15/08/181111508.db2.gz VCZSWYIFCKGTJI-OCUNKTDNSA-N 1 0 319.492 5.737 40 0 DKABRO C[n+]1ccc(/C=C\c2c(Cl)cccc2Cl)c2ccccc21 ZINC000004582440 181126704 /nfs/dbraw/zinc/12/67/04/181126704.db2.gz MPMABISLGOLJNU-KTKRTIGZSA-N 1 0 315.223 5.142 40 0 DKABRO CC(C)[NH+](CCOc1ccc(/C=C\c2ccccc2)cc1)C(C)C ZINC000004706225 181140508 /nfs/dbraw/zinc/14/05/08/181140508.db2.gz HJVFFLIPTQOMEC-KHPPLWFESA-N 1 0 323.480 5.355 40 0 DKABRO CCOc1ccc(-c2cc(OCC)c([N+]#N)cc2OCC)cc1 ZINC000004742995 181146045 /nfs/dbraw/zinc/14/60/45/181146045.db2.gz STMCLPOXTRJQKV-UHFFFAOYSA-N 1 0 313.377 5.034 40 0 DKABRO [NH3+]C1(c2cccc3ccccc32)c2ccccc2-c2ccccc21 ZINC000004777802 181150967 /nfs/dbraw/zinc/15/09/67/181150967.db2.gz AQQGGQAZPPISKG-UHFFFAOYSA-N 1 0 307.396 5.071 40 0 DKABRO CCCCC[C@@H](C)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783036 181151304 /nfs/dbraw/zinc/15/13/04/181151304.db2.gz NVPQSFZHASRDRV-JRGCBEDISA-N 1 0 311.469 5.020 40 0 DKABRO CCCCC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783037 181151471 /nfs/dbraw/zinc/15/14/71/181151471.db2.gz NVPQSFZHASRDRV-DZFGPLHGSA-N 1 0 311.469 5.020 40 0 DKABRO CCCCC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783038 181151059 /nfs/dbraw/zinc/15/10/59/181151059.db2.gz NVPQSFZHASRDRV-IOMROCGXSA-N 1 0 311.469 5.020 40 0 DKABRO CCCC[C@@H](CC)C[N@@H+](C[C@@H](CC)CCCC)[C@H]1C=CCCC1 ZINC000004901013 181170288 /nfs/dbraw/zinc/17/02/88/181170288.db2.gz RWTYMQKQXYRRMK-BDTNDASRSA-N 1 0 321.593 6.830 40 0 DKABRO CCCC[C@H](CC)C[NH+](C[C@@H](CC)CCCC)[C@H]1C=CCCC1 ZINC000004901015 181170446 /nfs/dbraw/zinc/17/04/46/181170446.db2.gz RWTYMQKQXYRRMK-FKBYEOEOSA-N 1 0 321.593 6.830 40 0 DKABRO CCCC[C@@H](CC)C[NH+](C[C@H](CC)CCCC)[C@H]1C=CCCC1 ZINC000004901016 181169972 /nfs/dbraw/zinc/16/99/72/181169972.db2.gz RWTYMQKQXYRRMK-VSKRKVRLSA-N 1 0 321.593 6.830 40 0 DKABRO CCCCCC[n+]1c(C)n(CC)c2cc(Cl)c(Cl)cc21 ZINC000004904779 181170669 /nfs/dbraw/zinc/17/06/69/181170669.db2.gz ZHLUIZVMLBGEAR-UHFFFAOYSA-N 1 0 314.280 5.144 40 0 DKABRO C(C[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)=C(c1ccccc1)c1ccccc1 ZINC000004934847 181175161 /nfs/dbraw/zinc/17/51/61/181175161.db2.gz YDOGBWXVZBIQPR-PMACEKPBSA-N 1 0 317.476 5.240 40 0 DKABRO C[NH+](C)[C@H]1c2cc(Cl)ccc2-c2c1cc(Cl)cc2Cl ZINC000004946032 181177524 /nfs/dbraw/zinc/17/75/24/181177524.db2.gz KEIVNLGRWMTGFA-HNNXBMFYSA-N 1 0 312.627 5.278 40 0 DKABRO Cc1ccc(C[NH2+]Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 ZINC000005007995 181189689 /nfs/dbraw/zinc/18/96/89/181189689.db2.gz SAASTUNCRPJTEO-UHFFFAOYSA-N 1 0 324.855 5.103 40 0 DKABRO C[C@@H]1C[C@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@@H+]1C ZINC000005052985 563329364 /nfs/dbraw/zinc/32/93/64/563329364.db2.gz QQSZFVCXPDARGG-OWCLPIDISA-N 1 0 324.493 5.018 40 0 DKABRO C[C@H]1C[C@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@@H+]1C ZINC000005052986 563328861 /nfs/dbraw/zinc/32/88/61/563328861.db2.gz QQSZFVCXPDARGG-HRCADAONSA-N 1 0 324.493 5.018 40 0 DKABRO C[C@H]1C[C@@H](CN2c3ccccc3Sc3ccccc32)[C@H](C)[N@@H+]1C ZINC000005052988 563329276 /nfs/dbraw/zinc/32/92/76/563329276.db2.gz QQSZFVCXPDARGG-JYJNAYRXSA-N 1 0 324.493 5.018 40 0 DKABRO Cc1ccc(C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2F)cc1 ZINC000005059307 181198585 /nfs/dbraw/zinc/19/85/85/181198585.db2.gz LVUNXLQSNWTIHG-IHWFROFDSA-N 1 0 309.428 5.045 40 0 DKABRO CC[NH+](CC)C[C@@H](C)N1c2ccccc2Sc2ccccc21 ZINC000005333442 563329640 /nfs/dbraw/zinc/32/96/40/563329640.db2.gz MIZXBSCGYUXXLJ-OAHLLOKOSA-N 1 0 312.482 5.020 40 0 DKABRO CC[NH+](CC)C[C@H](C)N1c2ccccc2Sc2ccccc21 ZINC000005333448 563329894 /nfs/dbraw/zinc/32/98/94/563329894.db2.gz MIZXBSCGYUXXLJ-HNNXBMFYSA-N 1 0 312.482 5.020 40 0 DKABRO CC[n+]1c(-c2ccccc2)cc(-c2ccccc2)c2c1CCCC2 ZINC000005339979 563699185 /nfs/dbraw/zinc/69/91/85/563699185.db2.gz HKCKJJYTZAOZES-UHFFFAOYSA-N 1 0 314.452 5.207 40 0 DKABRO CCCCSCC[NH+](CCCC)CCSCCCC ZINC000005419602 181241325 /nfs/dbraw/zinc/24/13/25/181241325.db2.gz NFOBMOJKDFXIMT-UHFFFAOYSA-N 1 0 305.597 5.155 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C)c(C)c3)c2c1 ZINC000005585028 181260354 /nfs/dbraw/zinc/26/03/54/181260354.db2.gz FRSBKCFCAVCRGV-UHFFFAOYSA-N 1 0 306.409 5.302 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C)cc3C)c2c1 ZINC000005585042 181260459 /nfs/dbraw/zinc/26/04/59/181260459.db2.gz AOFJDCBWSBEXNS-UHFFFAOYSA-N 1 0 306.409 5.302 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1 ZINC000005585055 181260482 /nfs/dbraw/zinc/26/04/82/181260482.db2.gz QQSHPBHHTNXCKQ-UHFFFAOYSA-N 1 0 306.409 5.302 40 0 DKABRO CC[C@@](C/C=C/c1ccccc1)(c1ccccc1)[N@H+](C)CC1CC1 ZINC000005923781 181296285 /nfs/dbraw/zinc/29/62/85/181296285.db2.gz VCZSWYIFCKGTJI-UQNNOOFXSA-N 1 0 319.492 5.737 40 0 investigational DKABRO CC[C@@](C/C=C\c1ccccc1)(c1ccccc1)[N@H+](C)CC1CC1 ZINC000005923793 181296679 /nfs/dbraw/zinc/29/66/79/181296679.db2.gz VCZSWYIFCKGTJI-JGDYFIEFSA-N 1 0 319.492 5.737 40 0 DKABRO CCCC[NH+](CCCC)CC[C@@H](O)c1ccc2ccccc2c1 ZINC000005973416 181302726 /nfs/dbraw/zinc/30/27/26/181302726.db2.gz NAWBEGSDEPSJBD-OAQYLSRUSA-N 1 0 313.485 5.166 40 0 DKABRO CCCC[NH+](CCCC)[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC000005973458 181302705 /nfs/dbraw/zinc/30/27/05/181302705.db2.gz WDLRYIZBHYATJE-NRFANRHFSA-N 1 0 323.480 5.513 40 0 DKABRO C[C@@H](C[NH+]1CCCCCCC1)C(c1ccccc1)c1ccccc1 ZINC000006487196 181345133 /nfs/dbraw/zinc/34/51/33/181345133.db2.gz MPWOHZULKLILMK-FQEVSTJZSA-N 1 0 321.508 5.721 40 0 DKABRO C[C@H]([NH2+]Cc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000006521745 181348510 /nfs/dbraw/zinc/34/85/10/181348510.db2.gz HEPVBKYEIXVPKE-UHSVVUDUSA-N 1 0 321.867 5.174 40 0 DKABRO COc1c(Cl)cc(Cl)cc1C[NH2+]C(C)(C)CC(C)(C)C ZINC000006857352 181398450 /nfs/dbraw/zinc/39/84/50/181398450.db2.gz IAMIPHQTEDGGGY-UHFFFAOYSA-N 1 0 318.288 5.306 40 0 DKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000006857406 181398579 /nfs/dbraw/zinc/39/85/79/181398579.db2.gz ITEGWKWKQNLFCS-UHFFFAOYSA-N 1 0 319.876 5.904 40 0 DKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000006857407 181398378 /nfs/dbraw/zinc/39/83/78/181398378.db2.gz VTRZUOZWBQFAPT-UHFFFAOYSA-N 1 0 303.421 5.390 40 0 DKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000006857410 181398551 /nfs/dbraw/zinc/39/85/51/181398551.db2.gz XUWCSFOGCRIIIS-UHFFFAOYSA-N 1 0 319.876 5.904 40 0 DKABRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000006857412 181398195 /nfs/dbraw/zinc/39/81/95/181398195.db2.gz BEQOCBYADZKBOR-UHFFFAOYSA-N 1 0 303.421 5.390 40 0 DKABRO CCCCCC[NH2+]Cc1ccc2c(c1)c1ccccc1n2CC ZINC000006859292 181398511 /nfs/dbraw/zinc/39/85/11/181398511.db2.gz ZFDXSLUNGTYXNN-UHFFFAOYSA-N 1 0 308.469 5.484 40 0 DKABRO CCn1c2ccccc2c2cc(C[NH2+]C3CCCCCC3)ccc21 ZINC000006871172 190626018 /nfs/dbraw/zinc/62/60/18/190626018.db2.gz MXTMUMWMTZSHFL-UHFFFAOYSA-N 1 0 320.480 5.627 40 0 DKABRO CC(C)(C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006882489 563334747 /nfs/dbraw/zinc/33/47/47/563334747.db2.gz ADLUVFZSVXHJTD-UHFFFAOYSA-N 1 0 319.448 5.307 40 0 DKABRO CC(C)C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000006883524 563334285 /nfs/dbraw/zinc/33/42/85/563334285.db2.gz WCRMNDUSNKQPMX-UHFFFAOYSA-N 1 0 319.448 5.164 40 0 DKABRO CC(C)c1ccc(C[NH2+]C23CC4C[C@@](C)(C2)C[C@](C)(C4)C3)cc1 ZINC000007009322 563639178 /nfs/dbraw/zinc/63/91/78/563639178.db2.gz NKXRGGWNTIKHSI-IZQOUKSCSA-N 1 0 311.513 5.649 40 0 DKABRO CC(C)c1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007009367 181431534 /nfs/dbraw/zinc/43/15/34/181431534.db2.gz XFVWGAYEJCDSAZ-VXRQLKRISA-N 1 0 311.513 5.505 40 0 DKABRO CC(C)c1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007009374 563639197 /nfs/dbraw/zinc/63/91/97/563639197.db2.gz XFVWGAYEJCDSAZ-HJMJHHSWSA-N 1 0 311.513 5.505 40 0 DKABRO CCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1OCC ZINC000007260987 563337205 /nfs/dbraw/zinc/33/72/05/563337205.db2.gz GIVHOTKPHDZADD-UHFFFAOYSA-N 1 0 304.261 5.062 40 0 DKABRO CCCCCC[NH2+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000007261050 563337444 /nfs/dbraw/zinc/33/74/44/563337444.db2.gz QLDVUVKMKNEOQI-UHFFFAOYSA-N 1 0 309.812 5.409 40 0 DKABRO CCCCCC[NH2+]Cc1ccc(-c2ccc(OC)c(Cl)c2)o1 ZINC000007261051 563337202 /nfs/dbraw/zinc/33/72/02/563337202.db2.gz PKBKYXWHHDTVER-UHFFFAOYSA-N 1 0 321.848 5.279 40 0 DKABRO CCCCCC[NH2+]Cc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007261061 563337346 /nfs/dbraw/zinc/33/73/46/563337346.db2.gz YLWSIPURPIJFHR-UHFFFAOYSA-N 1 0 305.849 5.578 40 0 DKABRO CCCCCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000007261068 563337231 /nfs/dbraw/zinc/33/72/31/563337231.db2.gz MIDMIWWAUXNMAA-UHFFFAOYSA-N 1 0 315.432 5.075 40 0 DKABRO CCCCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000007261071 181449738 /nfs/dbraw/zinc/44/97/38/181449738.db2.gz BFENDXIUQUTAQU-UHFFFAOYSA-N 1 0 315.432 5.075 40 0 DKABRO CCCCCC[NH2+]Cc1ccccc1OCc1ccc(F)cc1 ZINC000007261087 181449685 /nfs/dbraw/zinc/44/96/85/181449685.db2.gz FKAUNEFHRVICJI-UHFFFAOYSA-N 1 0 315.432 5.075 40 0 DKABRO CCCCCC[NH2+]Cc1ccccc1OCc1ccccc1F ZINC000007261090 181450183 /nfs/dbraw/zinc/45/01/83/181450183.db2.gz KFJRMGDSNCDSGL-UHFFFAOYSA-N 1 0 315.432 5.075 40 0 DKABRO CCCCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000007261268 563639550 /nfs/dbraw/zinc/63/95/50/563639550.db2.gz XBGWGKBUUNFIJZ-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000007261307 563337169 /nfs/dbraw/zinc/33/71/69/563337169.db2.gz IJYMBRRDNCFRSN-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCCC[NH2+]Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000007261316 181449959 /nfs/dbraw/zinc/44/99/59/181449959.db2.gz SWEGQGQNXXCOOB-UHFFFAOYSA-N 1 0 312.240 5.533 40 0 DKABRO CCCCC[NH2+]Cc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000007261317 563337381 /nfs/dbraw/zinc/33/73/81/563337381.db2.gz JCOHRFGFJWEUKY-UHFFFAOYSA-N 1 0 312.240 5.533 40 0 DKABRO CCCCC[NH2+]Cc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000007261327 563337195 /nfs/dbraw/zinc/33/71/95/563337195.db2.gz KTWIHPLNXDHTFK-UHFFFAOYSA-N 1 0 312.240 5.533 40 0 DKABRO CCCCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000007261335 563337361 /nfs/dbraw/zinc/33/73/61/563337361.db2.gz NVZNDTKEWQTESM-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1 ZINC000007261338 563337134 /nfs/dbraw/zinc/33/71/34/563337134.db2.gz IKHVVSWWEAJTIT-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1 ZINC000007261353 563337222 /nfs/dbraw/zinc/33/72/22/563337222.db2.gz ZWSRTFQKMPGABV-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCCC[NH2+]Cc1ccccc1OCc1ccccc1Cl ZINC000007261356 563337213 /nfs/dbraw/zinc/33/72/13/563337213.db2.gz LEBAPIIUZHLIOF-UHFFFAOYSA-N 1 0 317.860 5.199 40 0 DKABRO CCCC[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000007261615 181450237 /nfs/dbraw/zinc/45/02/37/181450237.db2.gz XNHLPDWWDWHKOT-UHFFFAOYSA-N 1 0 319.448 5.309 40 0 DKABRO CCC[NH2+]Cc1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000007262293 181449905 /nfs/dbraw/zinc/44/99/05/181449905.db2.gz FORBBPTXCYOKTK-UHFFFAOYSA-N 1 0 323.411 5.058 40 0 DKABRO CCC[NH2+]Cc1c(OCc2ccccc2F)ccc2ccccc21 ZINC000007262297 181450348 /nfs/dbraw/zinc/45/03/48/181450348.db2.gz RKFCWIXSSJEQIS-UHFFFAOYSA-N 1 0 323.411 5.058 40 0 DKABRO CCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1Cl ZINC000007262347 563639858 /nfs/dbraw/zinc/63/98/58/563639858.db2.gz YUNOLZWCAIKKQK-UHFFFAOYSA-N 1 0 324.251 5.072 40 0 DKABRO CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000007262378 563639875 /nfs/dbraw/zinc/63/98/75/563639875.db2.gz PHUBZHNLCNLOBC-UHFFFAOYSA-N 1 0 324.251 5.072 40 0 DKABRO CCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2Cl)c1 ZINC000007262400 563639824 /nfs/dbraw/zinc/63/98/24/563639824.db2.gz DBYLDGZRZVSBMS-UHFFFAOYSA-N 1 0 324.251 5.072 40 0 DKABRO CCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000007262415 563639653 /nfs/dbraw/zinc/63/96/53/563639653.db2.gz NFNCDHORRUDRJM-UHFFFAOYSA-N 1 0 324.251 5.072 40 0 DKABRO CCOc1ccc2ccccc2c1C[NH2+]C(C)(C)CC(C)(C)C ZINC000007521381 181471751 /nfs/dbraw/zinc/47/17/51/181471751.db2.gz PHKTYJZTANMENO-UHFFFAOYSA-N 1 0 313.485 5.543 40 0 DKABRO c1ccc(COc2ccccc2C[NH2+]C2CCCCCCC2)cc1 ZINC000007521990 563640294 /nfs/dbraw/zinc/64/02/94/563640294.db2.gz KIJADEUCVAOIOV-UHFFFAOYSA-N 1 0 323.480 5.468 40 0 DKABRO c1ccc(COc2ccc(C[NH2+]C3CCCCCCC3)cc2)cc1 ZINC000007522171 563832150 /nfs/dbraw/zinc/83/21/50/563832150.db2.gz UOSSVRYBIWADKF-UHFFFAOYSA-N 1 0 323.480 5.468 40 0 DKABRO c1ccc(COc2cccc(C[NH2+]C3CCCCCCC3)c2)cc1 ZINC000007523323 563640328 /nfs/dbraw/zinc/64/03/28/563640328.db2.gz SVNOEVWNYWILTM-UHFFFAOYSA-N 1 0 323.480 5.468 40 0 DKABRO CCOc1ccc2ccccc2c1C[NH2+]C1CCCCCCC1 ZINC000007523476 181472329 /nfs/dbraw/zinc/47/23/29/181472329.db2.gz UUVPADUVAKILRG-UHFFFAOYSA-N 1 0 311.469 5.441 40 0 DKABRO c1csc(COc2ccc(C[NH2+]C3CCCCCC3)cc2)c1 ZINC000007524044 181472369 /nfs/dbraw/zinc/47/23/69/181472369.db2.gz QUQDEXVMJVTDHI-UHFFFAOYSA-N 1 0 315.482 5.140 40 0 DKABRO Fc1ccccc1-c1ccc(C[NH2+]C2CCCCCCC2)o1 ZINC000007524353 181472661 /nfs/dbraw/zinc/47/26/61/181472661.db2.gz VPYPEWNWJROGDG-UHFFFAOYSA-N 1 0 301.405 5.288 40 0 DKABRO Fc1ccc(-c2ccc(CNCc3ccccc3Cl)o2)cc1 ZINC000007524377 563640419 /nfs/dbraw/zinc/64/04/19/563640419.db2.gz YTKOFXKMQUENER-UHFFFAOYSA-N 1 0 315.775 5.029 40 0 DKABRO Fc1ccc(-c2ccc(C[NH2+]C3CCCCCCC3)o2)cc1 ZINC000007524441 181472611 /nfs/dbraw/zinc/47/26/11/181472611.db2.gz KKGVWUCOJHAGFR-UHFFFAOYSA-N 1 0 301.405 5.288 40 0 DKABRO Cc1ccc(C[NH2+]Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000007538228 568412392 /nfs/dbraw/zinc/41/23/92/568412392.db2.gz VDKJLCYZRUMAHH-UHFFFAOYSA-N 1 0 311.812 5.198 40 0 DKABRO Cc1ccc(C[NH2+]Cc2ccc(-c3cccc(Cl)c3)o2)cc1 ZINC000007538237 568412430 /nfs/dbraw/zinc/41/24/30/568412430.db2.gz KKLOCWAQDUOHPX-UHFFFAOYSA-N 1 0 311.812 5.198 40 0 DKABRO Clc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c(Cl)c1 ZINC000007538708 181474338 /nfs/dbraw/zinc/47/43/38/181474338.db2.gz VEWPIHMHZVNBCW-UHFFFAOYSA-N 1 0 324.251 5.676 40 0 DKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000007538713 181474330 /nfs/dbraw/zinc/47/43/30/181474330.db2.gz QDWJZYOVIZTYEA-UHFFFAOYSA-N 1 0 303.833 5.331 40 0 DKABRO Clc1ccc(-c2ccc(C[NH2+]C3CCCC3)o2)c(Cl)c1 ZINC000007538845 181473657 /nfs/dbraw/zinc/47/36/57/181473657.db2.gz YHXGAJZMLZBEEH-UHFFFAOYSA-N 1 0 310.224 5.286 40 0 DKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]Cc2cccs2)o1 ZINC000007538946 568412407 /nfs/dbraw/zinc/41/24/07/568412407.db2.gz FMRXQCRCYYHUQX-UHFFFAOYSA-N 1 0 317.841 5.260 40 0 DKABRO Cc1c(Cl)cccc1-c1ccc(C[NH2+]C2CCCCCC2)o1 ZINC000007539283 568412399 /nfs/dbraw/zinc/41/23/99/568412399.db2.gz ZQWVYJOYPXSPPH-UHFFFAOYSA-N 1 0 317.860 5.721 40 0 DKABRO COc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1Cl ZINC000007539529 568412413 /nfs/dbraw/zinc/41/24/13/568412413.db2.gz XFMWQNWTXNGAED-UHFFFAOYSA-N 1 0 319.832 5.031 40 0 DKABRO Fc1ccc(-c2ccc(C[NH2+]C3CCCCCC3)o2)cc1Cl ZINC000007539877 181473980 /nfs/dbraw/zinc/47/39/80/181473980.db2.gz MNZNKFRJWBFCDQ-UHFFFAOYSA-N 1 0 321.823 5.552 40 0 DKABRO C[C@@H]([NH2+]Cc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008243580 181539387 /nfs/dbraw/zinc/53/93/87/181539387.db2.gz HEPVBKYEIXVPKE-XUXNNNHQSA-N 1 0 321.867 5.174 40 0 DKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+]C1CCCCCC1 ZINC000008253412 563345055 /nfs/dbraw/zinc/34/50/55/563345055.db2.gz YEIJLXWUKPGTFZ-UHFFFAOYSA-N 1 0 316.272 5.205 40 0 DKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000008253439 563345286 /nfs/dbraw/zinc/34/52/86/563345286.db2.gz DQSOJRJINQYMQI-LBPRGKRZSA-N 1 0 324.251 5.243 40 0 DKABRO CCOc1c(Cl)cc(Cl)cc1C[NH2+][C@H](C)c1ccccc1 ZINC000008253441 563345270 /nfs/dbraw/zinc/34/52/70/563345270.db2.gz DQSOJRJINQYMQI-GFCCVEGCSA-N 1 0 324.251 5.243 40 0 DKABRO CCOc1ccc2ccccc2c1C[NH2+][C@@H](C)c1ccccc1 ZINC000008325145 563346142 /nfs/dbraw/zinc/34/61/42/563346142.db2.gz BBNWWOQBULVFQS-INIZCTEOSA-N 1 0 305.421 5.089 40 0 DKABRO CCOc1ccc2ccccc2c1C[NH2+][C@H](C)c1ccccc1 ZINC000008325150 563345998 /nfs/dbraw/zinc/34/59/98/563345998.db2.gz BBNWWOQBULVFQS-MRXNPFEDSA-N 1 0 305.421 5.089 40 0 DKABRO CC[C@@H](C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008325870 563346168 /nfs/dbraw/zinc/34/61/68/563346168.db2.gz NAGTTYWVRZFIIE-QGZVFWFLSA-N 1 0 319.448 5.307 40 0 DKABRO CC[C@H](C)[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000008326622 563345921 /nfs/dbraw/zinc/34/59/21/563345921.db2.gz NAGTTYWVRZFIIE-KRWDZBQOSA-N 1 0 319.448 5.307 40 0 DKABRO Cc1ccc(C23C[C@H]4C[C@H](CC(C[NH+]5CCCCC5)(C4)C2)C3)cc1 ZINC000008465598 563347397 /nfs/dbraw/zinc/34/73/97/563347397.db2.gz LNLUNHMRLCSDEC-QTBVYMFASA-N 1 0 323.524 5.319 40 0 DKABRO C[C@H]([NH2+]Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008497334 563643042 /nfs/dbraw/zinc/64/30/42/563643042.db2.gz VZUFXQREFQDFKN-GOBPUOAWSA-N 1 0 303.877 5.035 40 0 DKABRO CSc1ccc(C[NH2+][C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008497351 563643008 /nfs/dbraw/zinc/64/30/08/563643008.db2.gz HYAHMAZACNZRSG-UYIIGHAYSA-N 1 0 315.526 5.103 40 0 DKABRO C[C@H]([NH2+]Cc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008497368 181560072 /nfs/dbraw/zinc/56/00/72/181560072.db2.gz DWDWKVIYZWCBAN-GOBPUOAWSA-N 1 0 303.877 5.035 40 0 DKABRO C[C@H]([NH2+]Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008497389 563642965 /nfs/dbraw/zinc/64/29/65/563642965.db2.gz GAAOIVJZNULHPE-IWUURBKTSA-N 1 0 303.877 5.035 40 0 DKABRO C[C@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1 ZINC000008534263 563643650 /nfs/dbraw/zinc/64/36/50/563643650.db2.gz CUZNKDMHRLOKBB-INIZCTEOSA-N 1 0 323.461 5.178 40 0 DKABRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000008534271 563347034 /nfs/dbraw/zinc/34/70/34/563347034.db2.gz VRULJYKRFIMGLC-SFHVURJKSA-N 1 0 317.432 5.116 40 0 DKABRO C[C@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000008534282 563347005 /nfs/dbraw/zinc/34/70/05/563347005.db2.gz INWSOBYEQPRKHL-SFHVURJKSA-N 1 0 317.432 5.116 40 0 DKABRO C[C@]12CC3CC([NH2+]Cc4c(F)cccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534499 563643431 /nfs/dbraw/zinc/64/34/31/563643431.db2.gz HRMWKAMDWYLFEO-DFDFAMMDSA-N 1 0 321.867 5.318 40 0 DKABRO C[C@]12CC3CC([NH2+]Cc4ccc(Cl)cc4)(C1)C[C@@](C)(C3)C2 ZINC000008534523 563643733 /nfs/dbraw/zinc/64/37/33/563643733.db2.gz JAYYIQBNZJVCCT-AFGAAMFOSA-N 1 0 303.877 5.179 40 0 DKABRO C[C@]12CC3CC([NH2+]Cc4cccc(Cl)c4)(C1)C[C@@](C)(C3)C2 ZINC000008534538 563643558 /nfs/dbraw/zinc/64/35/58/563643558.db2.gz AGIJFUPEJHQBDF-AFGAAMFOSA-N 1 0 303.877 5.179 40 0 DKABRO C[C@]12CC3CC([NH2+]Cc4cccc5ccccc54)(C1)C[C@@](C)(C3)C2 ZINC000008534551 563643459 /nfs/dbraw/zinc/64/34/59/563643459.db2.gz QKWSFBIIMYAZBK-SVIALIIXSA-N 1 0 319.492 5.678 40 0 DKABRO C[C@]12CC3CC([NH2+]Cc4ccccc4Cl)(C1)C[C@@](C)(C3)C2 ZINC000008534553 181562215 /nfs/dbraw/zinc/56/22/15/181562215.db2.gz ZDHHLGBUXSEGMU-KOCGSPDRSA-N 1 0 303.877 5.179 40 0 DKABRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000008534864 563643556 /nfs/dbraw/zinc/64/35/56/563643556.db2.gz VZUFXQREFQDFKN-SALMBKGGSA-N 1 0 303.877 5.035 40 0 DKABRO CSc1ccc(C[NH2+][C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000008534870 563643487 /nfs/dbraw/zinc/64/34/87/563643487.db2.gz HYAHMAZACNZRSG-RRCMXIFQSA-N 1 0 315.526 5.103 40 0 DKABRO C[C@@H]([NH2+]Cc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2 ZINC000008534875 563643502 /nfs/dbraw/zinc/64/35/02/563643502.db2.gz DWDWKVIYZWCBAN-SALMBKGGSA-N 1 0 303.877 5.035 40 0 DKABRO C[C@@H]([NH2+]Cc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 ZINC000008534886 563643673 /nfs/dbraw/zinc/64/36/73/563643673.db2.gz GAAOIVJZNULHPE-PGBRGIIUSA-N 1 0 303.877 5.035 40 0 DKABRO C[C@@H]([NH2+]Cc1ccc(OCc2cccs2)cc1)c1ccccc1 ZINC000008535335 563643591 /nfs/dbraw/zinc/64/35/91/563643591.db2.gz CUZNKDMHRLOKBB-MRXNPFEDSA-N 1 0 323.461 5.178 40 0 DKABRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000008535341 563347369 /nfs/dbraw/zinc/34/73/69/563347369.db2.gz VRULJYKRFIMGLC-GOSISDBHSA-N 1 0 317.432 5.116 40 0 DKABRO C[C@@H]([NH2+]Cc1ccccc1OCc1ccccc1)c1ccccc1 ZINC000008535352 563347363 /nfs/dbraw/zinc/34/73/63/563347363.db2.gz INWSOBYEQPRKHL-GOSISDBHSA-N 1 0 317.432 5.116 40 0 DKABRO CC[n+]1ccc(/C=C/c2c[nH]c3ccc(C)cc23)c2ccccc21 ZINC000008739687 181581452 /nfs/dbraw/zinc/58/14/52/181581452.db2.gz MGOUEEJSKUMINX-UHFFFAOYSA-O 1 0 313.424 5.107 40 0 DKABRO CC[n+]1c(/C=C(/C)SC)sc2ccc3ccccc3c21 ZINC000013477878 563659615 /nfs/dbraw/zinc/65/96/15/563659615.db2.gz GQKPHEWFBYTRIN-QXMHVHEDSA-N 1 0 300.472 5.086 40 0 DKABRO [NH2+]=C(c1ccc2ccccc2c1)c1ccccc1Cc1ccccc1 ZINC000013703933 181881478 /nfs/dbraw/zinc/88/14/78/181881478.db2.gz ZEJQJHRVQOTEOL-UHFFFAOYSA-N 1 0 321.423 5.847 40 0 in-vitro DKABRO Clc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000014193324 563665712 /nfs/dbraw/zinc/66/57/12/563665712.db2.gz SGIGHXSCVDQQQZ-UHFFFAOYSA-N 1 0 321.851 5.542 40 0 DKABRO Fc1ccc(C[NH+](Cc2ccccc2)Cc2ccccc2)cc1 ZINC000014193326 181935546 /nfs/dbraw/zinc/93/55/46/181935546.db2.gz KLKZOLDTADUQSU-UHFFFAOYSA-N 1 0 305.396 5.028 40 0 DKABRO Clc1cccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1Cl ZINC000016383871 182042786 /nfs/dbraw/zinc/04/27/86/182042786.db2.gz GKLFDOICAPDLMY-UHFFFAOYSA-N 1 0 310.268 5.052 40 0 DKABRO c1ccc(COc2cccc(C[NH2+]C3CCCCCC3)c2)cc1 ZINC000016480699 182046640 /nfs/dbraw/zinc/04/66/40/182046640.db2.gz KSPLEQDRQFLHCE-UHFFFAOYSA-N 1 0 309.453 5.078 40 0 DKABRO c1ccc(COc2ccccc2C[NH2+]C2CCCCCC2)cc1 ZINC000016480763 182046524 /nfs/dbraw/zinc/04/65/24/182046524.db2.gz PFZIQHGFIQHMKG-UHFFFAOYSA-N 1 0 309.453 5.078 40 0 DKABRO c1ccc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000016493114 182047632 /nfs/dbraw/zinc/04/76/32/182047632.db2.gz PFHIYCWWVIMOIC-UHFFFAOYSA-N 1 0 317.476 5.412 40 0 DKABRO c1ccc(-c2ccc(C[NH2+]C3C4CC5CC(C4)CC3C5)cc2)cc1 ZINC000016493118 182047456 /nfs/dbraw/zinc/04/74/56/182047456.db2.gz WRZUWJJCRHMGDO-UHFFFAOYSA-N 1 0 317.476 5.268 40 0 DKABRO C[n+]1ccc(/C=C/c2c(Cl)cccc2Cl)c2ccccc21 ZINC000017164469 182077921 /nfs/dbraw/zinc/07/79/21/182077921.db2.gz MPMABISLGOLJNU-MDZDMXLPSA-N 1 0 315.223 5.142 40 0 DKABRO CC[C@H](CC(C)C)Nc1ccc(N[C@@H](CC)CC(C)C)cc1 ZINC000017314990 182082695 /nfs/dbraw/zinc/08/26/95/182082695.db2.gz UKZGYDMZONDGPW-HDICACEKSA-N 1 0 304.522 6.160 40 0 DKABRO [NH2+]=C(c1ccccc1)c1ccccc1Cc1cccc2ccccc21 ZINC000017379655 563414938 /nfs/dbraw/zinc/41/49/38/563414938.db2.gz LHEPJHIVPDRMLZ-UHFFFAOYSA-N 1 0 321.423 5.847 40 0 DKABRO CC(=O)[S+]=c1ssc2c1-c1ccccc1NC2(C)C ZINC000017836690 182086104 /nfs/dbraw/zinc/08/61/04/182086104.db2.gz ICBYDMUMJIVMDZ-UHFFFAOYSA-N 1 0 308.473 5.057 40 0 DKABRO Cc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1C ZINC000020136171 182190998 /nfs/dbraw/zinc/19/09/98/182190998.db2.gz ISBCRJRCXAZQPJ-UHFFFAOYSA-N 1 0 302.421 5.474 40 0 DKABRO Clc1cccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c1Cl ZINC000020158517 182194146 /nfs/dbraw/zinc/19/41/46/182194146.db2.gz LQEMDCQRWLULAQ-UHFFFAOYSA-N 1 0 324.251 5.676 40 0 DKABRO Clc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1Cl ZINC000020158547 182194000 /nfs/dbraw/zinc/19/40/00/182194000.db2.gz OSIJGZKSDXNYEB-UHFFFAOYSA-N 1 0 324.251 5.676 40 0 DKABRO FC(F)(F)c1cccc(-c2ccc(C[NH2+]C3CCCCC3)o2)c1 ZINC000020158590 182193880 /nfs/dbraw/zinc/19/38/80/182193880.db2.gz SAUNWGHQEMJSCH-UHFFFAOYSA-N 1 0 323.358 5.388 40 0 DKABRO CCC[NH2+]Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 ZINC000020158616 182194002 /nfs/dbraw/zinc/19/40/02/182194002.db2.gz PNHGEHZWLLCYBR-UHFFFAOYSA-N 1 0 317.738 5.118 40 0 DKABRO Cc1ccc(Cl)cc1-c1ccc(C[NH2+]C2CCCCC2)o1 ZINC000020158625 182194085 /nfs/dbraw/zinc/19/40/85/182194085.db2.gz PJJURXOOZVAXLF-UHFFFAOYSA-N 1 0 303.833 5.331 40 0 DKABRO Cc1ccc(Cl)cc1-c1ccc(C[NH2+]Cc2ccccc2)o1 ZINC000020158627 182194021 /nfs/dbraw/zinc/19/40/21/182194021.db2.gz MBTQOCNPIPYEDU-UHFFFAOYSA-N 1 0 311.812 5.198 40 0 DKABRO Cc1ccc(-c2ccc(C[NH2+]Cc3ccccc3)o2)cc1Cl ZINC000020876544 182251574 /nfs/dbraw/zinc/25/15/74/182251574.db2.gz ULAMKULQWVVCFQ-UHFFFAOYSA-N 1 0 311.812 5.198 40 0 DKABRO Cc1ccc(-c2ccc(C[NH2+]C3CCCCC3)o2)cc1Cl ZINC000020876546 182251700 /nfs/dbraw/zinc/25/17/00/182251700.db2.gz SLPBPJIBJNXPIO-UHFFFAOYSA-N 1 0 303.833 5.331 40 0 DKABRO Clc1ccc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c(Cl)c1 ZINC000021026416 182262263 /nfs/dbraw/zinc/26/22/63/182262263.db2.gz LOFCRZLTWZFTSO-UHFFFAOYSA-N 1 0 310.268 5.052 40 0 DKABRO Clc1cccc(Cl)c1C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC000021799598 182290742 /nfs/dbraw/zinc/29/07/42/182290742.db2.gz IGWRBERYIPFFDB-UHFFFAOYSA-N 1 0 310.268 5.052 40 0 DKABRO C[C@H]([NH2+]Cc1cc2ccccc2[nH]1)c1cccc2ccccc21 ZINC000026994842 331604783 /nfs/dbraw/zinc/60/47/83/331604783.db2.gz JLPWXRZETODYFC-HNNXBMFYSA-N 1 0 300.405 5.172 40 0 in-vitro DKABRO CCCCCC1=C/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OC)N=C1C ZINC000028570356 563878163 /nfs/dbraw/zinc/87/81/63/563878163.db2.gz SZXDNGVQRDTJSD-VBKFSLOCSA-N 1 0 323.440 5.341 40 0 in-vivo DKABRO C[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000031792492 563440769 /nfs/dbraw/zinc/44/07/69/563440769.db2.gz KIKLTPNJUJLALC-KRWDZBQOSA-N 1 0 305.421 5.010 40 0 DKABRO C[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000031792497 563441145 /nfs/dbraw/zinc/44/11/45/563441145.db2.gz KIKLTPNJUJLALC-QGZVFWFLSA-N 1 0 305.421 5.010 40 0 DKABRO Cc1cc(NCc2ccccc2)c2ccc(C(F)(F)F)cc2[nH+]1 ZINC000040570939 183103636 /nfs/dbraw/zinc/10/36/36/183103636.db2.gz IBHPQIOKDDKDCH-UHFFFAOYSA-N 1 0 316.326 5.174 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3cc(C)ccc3C)c2c1 ZINC000041127700 183169639 /nfs/dbraw/zinc/16/96/39/183169639.db2.gz ORFIFUCIBDIZJB-UHFFFAOYSA-N 1 0 306.409 5.302 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(SC)cc3)c2c1 ZINC000041127709 183169583 /nfs/dbraw/zinc/16/95/83/183169583.db2.gz DTEIRVSLCXDTQB-UHFFFAOYSA-N 1 0 324.449 5.407 40 0 DKABRO CCOc1ccc2[nH+]c(C)cc(Nc3ccc(C(C)C)cc3)c2c1 ZINC000041127731 183169954 /nfs/dbraw/zinc/16/99/54/183169954.db2.gz YSVBNWYFYLNQMZ-UHFFFAOYSA-N 1 0 320.436 5.809 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212161 257126838 /nfs/dbraw/zinc/12/68/38/257126838.db2.gz ZSUXKBNWEBDMPG-LJQANCHMSA-N 1 0 310.441 5.057 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212162 257127546 /nfs/dbraw/zinc/12/75/46/257127546.db2.gz ZSUXKBNWEBDMPG-IBGZPJMESA-N 1 0 310.441 5.057 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212163 257127396 /nfs/dbraw/zinc/12/73/96/257127396.db2.gz HSGGVSGDFKPCRA-LJQANCHMSA-N 1 0 310.441 5.201 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(Oc2ccccc2)nc1 ZINC000072212164 257127085 /nfs/dbraw/zinc/12/70/85/257127085.db2.gz HSGGVSGDFKPCRA-IBGZPJMESA-N 1 0 310.441 5.201 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212221 257127103 /nfs/dbraw/zinc/12/71/03/257127103.db2.gz JPLFMMGABNRXKA-LJQANCHMSA-N 1 0 310.441 5.057 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212222 257126876 /nfs/dbraw/zinc/12/68/76/257126876.db2.gz JPLFMMGABNRXKA-IBGZPJMESA-N 1 0 310.441 5.057 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1Oc1ccccc1 ZINC000072212223 257126788 /nfs/dbraw/zinc/12/67/88/257126788.db2.gz BYBBZLCTFSBXCQ-LJQANCHMSA-N 1 0 310.441 5.201 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1Oc1ccccc1 ZINC000072212224 257127339 /nfs/dbraw/zinc/12/73/39/257127339.db2.gz BYBBZLCTFSBXCQ-IBGZPJMESA-N 1 0 310.441 5.201 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212980 257127507 /nfs/dbraw/zinc/12/75/07/257127507.db2.gz CVMJQLRRXRRWCJ-LJQANCHMSA-N 1 0 317.521 5.032 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C(C)C)C(C)C)nc1 ZINC000072212981 257127315 /nfs/dbraw/zinc/12/73/15/257127315.db2.gz CVMJQLRRXRRWCJ-IBGZPJMESA-N 1 0 317.521 5.032 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213040 257127188 /nfs/dbraw/zinc/12/71/88/257127188.db2.gz TTYYIZBTUGIFGM-LJQANCHMSA-N 1 0 317.521 5.032 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C(C)C)C(C)C ZINC000072213041 257127263 /nfs/dbraw/zinc/12/72/63/257127263.db2.gz TTYYIZBTUGIFGM-IBGZPJMESA-N 1 0 317.521 5.032 40 0 DKABRO CC[C@@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213437 257127556 /nfs/dbraw/zinc/12/75/56/257127556.db2.gz LFUBPJPQQYSGGT-XLIONFOSSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@H](C)Nc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213438 257126894 /nfs/dbraw/zinc/12/68/94/257126894.db2.gz LFUBPJPQQYSGGT-PXNSSMCTSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213439 257127148 /nfs/dbraw/zinc/12/71/48/257127148.db2.gz LFUBPJPQQYSGGT-YLJYHZDGSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@H](C)Nc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213440 257127066 /nfs/dbraw/zinc/12/70/66/257127066.db2.gz LFUBPJPQQYSGGT-FXAWDEMLSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213549 257126143 /nfs/dbraw/zinc/12/61/43/257126143.db2.gz JFGUDXOVPXAJJQ-XLIONFOSSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213550 257126681 /nfs/dbraw/zinc/12/66/81/257126681.db2.gz JFGUDXOVPXAJJQ-PXNSSMCTSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213551 257126550 /nfs/dbraw/zinc/12/65/50/257126550.db2.gz JFGUDXOVPXAJJQ-YLJYHZDGSA-N 1 0 323.484 5.019 40 0 DKABRO CC[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213552 257126242 /nfs/dbraw/zinc/12/62/42/257126242.db2.gz JFGUDXOVPXAJJQ-FXAWDEMLSA-N 1 0 323.484 5.019 40 0 DKABRO CCCCNc1ncccc1[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213624 257126515 /nfs/dbraw/zinc/12/65/15/257126515.db2.gz AEVUCHFCUCLLQM-FQEVSTJZSA-N 1 0 323.484 5.021 40 0 DKABRO CCCCNc1ncccc1[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000072213625 257125820 /nfs/dbraw/zinc/12/58/20/257125820.db2.gz AEVUCHFCUCLLQM-HXUWFJFHSA-N 1 0 323.484 5.021 40 0 DKABRO CCCCNc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213684 257125898 /nfs/dbraw/zinc/12/58/98/257125898.db2.gz QRTASHDGJQWTPB-FQEVSTJZSA-N 1 0 323.484 5.021 40 0 DKABRO CCCCNc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000072213685 257126335 /nfs/dbraw/zinc/12/63/35/257126335.db2.gz QRTASHDGJQWTPB-HXUWFJFHSA-N 1 0 323.484 5.021 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214040 257126077 /nfs/dbraw/zinc/12/60/77/257126077.db2.gz VVYFVBDUJFAULI-LJQANCHMSA-N 1 0 315.505 5.009 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214041 257126030 /nfs/dbraw/zinc/12/60/30/257126030.db2.gz VVYFVBDUJFAULI-IBGZPJMESA-N 1 0 315.505 5.009 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1NC1CCCCC1 ZINC000072214042 257126732 /nfs/dbraw/zinc/12/67/32/257126732.db2.gz YPTCRAUSHHJBFH-LJQANCHMSA-N 1 0 315.505 5.153 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1NC1CCCCC1 ZINC000072214043 257126603 /nfs/dbraw/zinc/12/66/03/257126603.db2.gz YPTCRAUSHHJBFH-IBGZPJMESA-N 1 0 315.505 5.153 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214100 257126714 /nfs/dbraw/zinc/12/67/14/257126714.db2.gz LAZIBIMOGATCHP-LJQANCHMSA-N 1 0 309.457 5.008 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214101 257126626 /nfs/dbraw/zinc/12/66/26/257126626.db2.gz LAZIBIMOGATCHP-IBGZPJMESA-N 1 0 309.457 5.008 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214102 257126288 /nfs/dbraw/zinc/12/62/88/257126288.db2.gz CDNMNGCGCOQZKF-LJQANCHMSA-N 1 0 309.457 5.152 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(Nc2ccccc2)nc1 ZINC000072214103 257126380 /nfs/dbraw/zinc/12/63/80/257126380.db2.gz CDNMNGCGCOQZKF-IBGZPJMESA-N 1 0 309.457 5.152 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214160 257126215 /nfs/dbraw/zinc/12/62/15/257126215.db2.gz VSYLOKGYHGJIFA-LJQANCHMSA-N 1 0 309.457 5.008 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214161 257126164 /nfs/dbraw/zinc/12/61/64/257126164.db2.gz VSYLOKGYHGJIFA-IBGZPJMESA-N 1 0 309.457 5.008 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1Nc1ccccc1 ZINC000072214162 257126646 /nfs/dbraw/zinc/12/66/46/257126646.db2.gz UKOCNWZWSIPZQJ-LJQANCHMSA-N 1 0 309.457 5.152 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1Nc1ccccc1 ZINC000072214163 257125881 /nfs/dbraw/zinc/12/58/81/257125881.db2.gz UKOCNWZWSIPZQJ-IBGZPJMESA-N 1 0 309.457 5.152 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214220 257125879 /nfs/dbraw/zinc/12/58/79/257125879.db2.gz UZQPMSGOXVNZTF-HXUWFJFHSA-N 1 0 323.484 5.033 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214221 257126456 /nfs/dbraw/zinc/12/64/56/257126456.db2.gz UZQPMSGOXVNZTF-FQEVSTJZSA-N 1 0 323.484 5.033 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214222 257126727 /nfs/dbraw/zinc/12/67/27/257126727.db2.gz GHAGBIQOWDTXBN-HXUWFJFHSA-N 1 0 323.484 5.177 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(N(C)c2ccccc2)nc1 ZINC000072214223 257126156 /nfs/dbraw/zinc/12/61/56/257126156.db2.gz GHAGBIQOWDTXBN-FQEVSTJZSA-N 1 0 323.484 5.177 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214280 257126618 /nfs/dbraw/zinc/12/66/18/257126618.db2.gz HHTQOCYKMJYBOR-HXUWFJFHSA-N 1 0 323.484 5.033 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214281 257126233 /nfs/dbraw/zinc/12/62/33/257126233.db2.gz HHTQOCYKMJYBOR-FQEVSTJZSA-N 1 0 323.484 5.033 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214282 257126723 /nfs/dbraw/zinc/12/67/23/257126723.db2.gz LXKKDCNHNRXRMS-HXUWFJFHSA-N 1 0 323.484 5.177 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)c1ccccc1 ZINC000072214283 257125972 /nfs/dbraw/zinc/12/59/72/257125972.db2.gz LXKKDCNHNRXRMS-FQEVSTJZSA-N 1 0 323.484 5.177 40 0 DKABRO CC(C)[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217240 257124710 /nfs/dbraw/zinc/12/47/10/257124710.db2.gz JSNRKVJDOIXNQE-QGZVFWFLSA-N 1 0 304.503 5.052 40 0 DKABRO CC(C)[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217241 257124912 /nfs/dbraw/zinc/12/49/12/257124912.db2.gz JSNRKVJDOIXNQE-KRWDZBQOSA-N 1 0 304.503 5.052 40 0 DKABRO CCC[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217242 257124875 /nfs/dbraw/zinc/12/48/75/257124875.db2.gz VHEZCQWBTZALJR-QGZVFWFLSA-N 1 0 304.503 5.053 40 0 DKABRO CCC[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217243 257124743 /nfs/dbraw/zinc/12/47/43/257124743.db2.gz VHEZCQWBTZALJR-KRWDZBQOSA-N 1 0 304.503 5.053 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217244 257124869 /nfs/dbraw/zinc/12/48/69/257124869.db2.gz BWINUPIHNBLQIE-GOSISDBHSA-N 1 0 318.530 5.299 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217245 257125071 /nfs/dbraw/zinc/12/50/71/257125071.db2.gz BWINUPIHNBLQIE-SFHVURJKSA-N 1 0 318.530 5.299 40 0 DKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217246 257125344 /nfs/dbraw/zinc/12/53/44/257125344.db2.gz YSTWDYYJOKEDRX-GOSISDBHSA-N 1 0 318.530 5.443 40 0 DKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217247 257125062 /nfs/dbraw/zinc/12/50/62/257125062.db2.gz YSTWDYYJOKEDRX-SFHVURJKSA-N 1 0 318.530 5.443 40 0 DKABRO CC[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217257 257124842 /nfs/dbraw/zinc/12/48/42/257124842.db2.gz OMPNYCMIYSSZLY-QGZVFWFLSA-N 1 0 304.503 5.053 40 0 DKABRO CC[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217258 257125160 /nfs/dbraw/zinc/12/51/60/257125160.db2.gz OMPNYCMIYSSZLY-KRWDZBQOSA-N 1 0 304.503 5.053 40 0 DKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217259 257125180 /nfs/dbraw/zinc/12/51/80/257125180.db2.gz FTNOZWAYCKUFMF-GOSISDBHSA-N 1 0 318.530 5.443 40 0 DKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217260 257125527 /nfs/dbraw/zinc/12/55/27/257125527.db2.gz FTNOZWAYCKUFMF-SFHVURJKSA-N 1 0 318.530 5.443 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217261 257124825 /nfs/dbraw/zinc/12/48/25/257124825.db2.gz GKKWKPRFUHMAHU-GOSISDBHSA-N 1 0 318.530 5.442 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 ZINC000072217262 257125386 /nfs/dbraw/zinc/12/53/86/257125386.db2.gz GKKWKPRFUHMAHU-SFHVURJKSA-N 1 0 318.530 5.442 40 0 DKABRO CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217300 257125474 /nfs/dbraw/zinc/12/54/74/257125474.db2.gz BPBFQNAVEZZHRS-QGZVFWFLSA-N 1 0 304.503 5.052 40 0 DKABRO CC(C)[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217301 257125543 /nfs/dbraw/zinc/12/55/43/257125543.db2.gz BPBFQNAVEZZHRS-KRWDZBQOSA-N 1 0 304.503 5.052 40 0 DKABRO CCC[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217302 257124682 /nfs/dbraw/zinc/12/46/82/257124682.db2.gz JCURQQIGCYCHPR-QGZVFWFLSA-N 1 0 304.503 5.053 40 0 DKABRO CCC[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217303 257124801 /nfs/dbraw/zinc/12/48/01/257124801.db2.gz JCURQQIGCYCHPR-KRWDZBQOSA-N 1 0 304.503 5.053 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217304 257124787 /nfs/dbraw/zinc/12/47/87/257124787.db2.gz HYQPQJRLCKCXLG-GOSISDBHSA-N 1 0 318.530 5.299 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217305 257124917 /nfs/dbraw/zinc/12/49/17/257124917.db2.gz HYQPQJRLCKCXLG-SFHVURJKSA-N 1 0 318.530 5.299 40 0 DKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217306 257125129 /nfs/dbraw/zinc/12/51/29/257125129.db2.gz CCUJLMQVNZBJJO-GOSISDBHSA-N 1 0 318.530 5.443 40 0 DKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217307 257125165 /nfs/dbraw/zinc/12/51/65/257125165.db2.gz CCUJLMQVNZBJJO-SFHVURJKSA-N 1 0 318.530 5.443 40 0 DKABRO CC[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217317 257125466 /nfs/dbraw/zinc/12/54/66/257125466.db2.gz GUPPCIXMCNMNHG-QGZVFWFLSA-N 1 0 304.503 5.053 40 0 DKABRO CC[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217318 257124719 /nfs/dbraw/zinc/12/47/19/257124719.db2.gz GUPPCIXMCNMNHG-KRWDZBQOSA-N 1 0 304.503 5.053 40 0 DKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217319 257125657 /nfs/dbraw/zinc/12/56/57/257125657.db2.gz IHQPSTQCIUZAJZ-GOSISDBHSA-N 1 0 318.530 5.443 40 0 DKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217320 257125092 /nfs/dbraw/zinc/12/50/92/257125092.db2.gz IHQPSTQCIUZAJZ-SFHVURJKSA-N 1 0 318.530 5.443 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1SC1CCCCC1 ZINC000072217321 257125523 /nfs/dbraw/zinc/12/55/23/257125523.db2.gz FJLVPUGGEGNFRP-GOSISDBHSA-N 1 0 318.530 5.442 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1SC1CCCCC1 ZINC000072217322 257125585 /nfs/dbraw/zinc/12/55/85/257125585.db2.gz FJLVPUGGEGNFRP-SFHVURJKSA-N 1 0 318.530 5.442 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217383 257125202 /nfs/dbraw/zinc/12/52/02/257125202.db2.gz NZWGQXYGXSPSFP-MRXNPFEDSA-N 1 0 306.519 5.155 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217384 257125240 /nfs/dbraw/zinc/12/52/40/257125240.db2.gz NZWGQXYGXSPSFP-INIZCTEOSA-N 1 0 306.519 5.155 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217385 257125214 /nfs/dbraw/zinc/12/52/14/257125214.db2.gz DUUXGMMTTPUOBM-MRXNPFEDSA-N 1 0 306.519 5.299 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1ccc(SC(C)(C)C)nc1 ZINC000072217386 257125126 /nfs/dbraw/zinc/12/51/26/257125126.db2.gz DUUXGMMTTPUOBM-INIZCTEOSA-N 1 0 306.519 5.299 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217443 257125550 /nfs/dbraw/zinc/12/55/50/257125550.db2.gz AKIYKOLFTDWJCR-MRXNPFEDSA-N 1 0 306.519 5.155 40 0 DKABRO CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217444 257125081 /nfs/dbraw/zinc/12/50/81/257125081.db2.gz AKIYKOLFTDWJCR-INIZCTEOSA-N 1 0 306.519 5.155 40 0 DKABRO CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1SC(C)(C)C ZINC000072217445 257124975 /nfs/dbraw/zinc/12/49/75/257124975.db2.gz SGELBNWRVCPTMU-MRXNPFEDSA-N 1 0 306.519 5.299 40 0 DKABRO CCCC[N@@H+]1CCCC[C@H]1c1cccnc1SC(C)(C)C ZINC000072217446 257125398 /nfs/dbraw/zinc/12/53/98/257125398.db2.gz SGELBNWRVCPTMU-INIZCTEOSA-N 1 0 306.519 5.299 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217604 257125496 /nfs/dbraw/zinc/12/54/96/257125496.db2.gz MAUGNRJVOFKXEU-GOSISDBHSA-N 1 0 312.482 5.026 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217605 257124805 /nfs/dbraw/zinc/12/48/05/257124805.db2.gz MAUGNRJVOFKXEU-SFHVURJKSA-N 1 0 312.482 5.026 40 0 DKABRO CCCC[N@@H+]1CCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217606 257124946 /nfs/dbraw/zinc/12/49/46/257124946.db2.gz QZFFPDMTJWFKET-GOSISDBHSA-N 1 0 312.482 5.170 40 0 DKABRO CCCC[N@@H+]1CCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217607 257125287 /nfs/dbraw/zinc/12/52/87/257125287.db2.gz QZFFPDMTJWFKET-SFHVURJKSA-N 1 0 312.482 5.170 40 0 DKABRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217619 257124731 /nfs/dbraw/zinc/12/47/31/257124731.db2.gz VQAPPBLUFDMFON-GOSISDBHSA-N 1 0 312.482 5.170 40 0 DKABRO CCC[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217620 257124859 /nfs/dbraw/zinc/12/48/59/257124859.db2.gz VQAPPBLUFDMFON-SFHVURJKSA-N 1 0 312.482 5.170 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217621 257124895 /nfs/dbraw/zinc/12/48/95/257124895.db2.gz PYINLSHENHCATK-GOSISDBHSA-N 1 0 312.482 5.168 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 ZINC000072217622 257125674 /nfs/dbraw/zinc/12/56/74/257125674.db2.gz PYINLSHENHCATK-SFHVURJKSA-N 1 0 312.482 5.168 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217664 257125623 /nfs/dbraw/zinc/12/56/23/257125623.db2.gz YAHPKGAABHRABE-GOSISDBHSA-N 1 0 312.482 5.026 40 0 DKABRO CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217665 257125172 /nfs/dbraw/zinc/12/51/72/257125172.db2.gz YAHPKGAABHRABE-SFHVURJKSA-N 1 0 312.482 5.026 40 0 DKABRO CCCC[N@@H+]1CCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217666 257125271 /nfs/dbraw/zinc/12/52/71/257125271.db2.gz ZXOXUEJNBXEBBG-GOSISDBHSA-N 1 0 312.482 5.170 40 0 DKABRO CCCC[N@@H+]1CCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217667 257125267 /nfs/dbraw/zinc/12/52/67/257125267.db2.gz ZXOXUEJNBXEBBG-SFHVURJKSA-N 1 0 312.482 5.170 40 0 DKABRO CCC[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217679 257125247 /nfs/dbraw/zinc/12/52/47/257125247.db2.gz WBSLUBLAMZARFI-GOSISDBHSA-N 1 0 312.482 5.170 40 0 DKABRO CCC[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217680 257125580 /nfs/dbraw/zinc/12/55/80/257125580.db2.gz WBSLUBLAMZARFI-SFHVURJKSA-N 1 0 312.482 5.170 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1Sc1ccccc1 ZINC000072217681 257125436 /nfs/dbraw/zinc/12/54/36/257125436.db2.gz OTMFRQKNLNEGHD-GOSISDBHSA-N 1 0 312.482 5.168 40 0 DKABRO CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1Sc1ccccc1 ZINC000072217682 257125378 /nfs/dbraw/zinc/12/53/78/257125378.db2.gz OTMFRQKNLNEGHD-SFHVURJKSA-N 1 0 312.482 5.168 40 0 DKABRO C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2Cl)c2ccccc21 ZINC000077291433 191688883 /nfs/dbraw/zinc/68/88/83/191688883.db2.gz HSBAOQBIJBVXFV-MLGOLLRUSA-N 1 0 306.236 5.180 40 0 in-vitro DKABRO Clc1cccc(C[NH+](Cc2cccc(Cl)c2)C2CC2)c1 ZINC000085332551 563568638 /nfs/dbraw/zinc/56/86/38/563568638.db2.gz QIGYOKZNGHOWQY-UHFFFAOYSA-N 1 0 306.236 5.158 40 0 DKABRO Brc1ccc(C[NH2+]C2CCCCC2)c2ccccc12 ZINC000085391729 563569216 /nfs/dbraw/zinc/56/92/16/563569216.db2.gz NOWNLRYRSXKERN-UHFFFAOYSA-N 1 0 318.258 5.025 40 0 DKABRO C[NH+](C)CCCCCCCCCCCCCc1ccccc1 ZINC000085471702 563520319 /nfs/dbraw/zinc/52/03/19/563520319.db2.gz KXLJCSQCKYGDKR-UHFFFAOYSA-N 1 0 303.534 6.082 40 0 DKABRO CC(C)(C)CCCCCCCCCCCCCCCCC[NH3+] ZINC000085471786 563520511 /nfs/dbraw/zinc/52/05/11/563520511.db2.gz RRPZHYWZRCTYBG-UHFFFAOYSA-N 1 0 311.598 7.233 40 0 DKABRO CC[C@@]1(C)C[C@](CC[NH2+][C@H](C)c2ccccc2)(C(C)C)CCO1 ZINC000102813258 185422290 /nfs/dbraw/zinc/42/22/90/185422290.db2.gz TWAQDSARJYWGDY-HLAWJBBLSA-N 1 0 317.517 5.349 40 0 DKABRO C[NH+](C)[C@@H]1CCCC/C=C(\c2ccccc2)[C@@H]1c1ccccc1 ZINC000104098641 563562367 /nfs/dbraw/zinc/56/23/67/563562367.db2.gz XBVCUFUGHGJSOO-WIVRNPGZSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)[C@H]1CCCC/C=C(\c2ccccc2)[C@@H]1c1ccccc1 ZINC000104098643 563562390 /nfs/dbraw/zinc/56/23/90/563562390.db2.gz XBVCUFUGHGJSOO-WPANIXQDSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)[C@@H]1CCC/C=C(\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000104111780 193984386 /nfs/dbraw/zinc/98/43/86/193984386.db2.gz RKMHWHDVOCKUOW-SFVZKJETSA-N 1 0 305.465 5.358 40 0 DKABRO C[NH+](C)[C@H]1CCC/C=C(\c2ccccc2)C[C@@H]1c1ccccc1 ZINC000104111786 563562550 /nfs/dbraw/zinc/56/25/50/563562550.db2.gz RKMHWHDVOCKUOW-BWYODUSASA-N 1 0 305.465 5.358 40 0 DKABRO CCCCC[NH+](/C=C\c1cc(Cl)ccc1OC)CCCCC ZINC000104321159 563564399 /nfs/dbraw/zinc/56/43/99/563564399.db2.gz DZWPNAUIQMNDCZ-QINSGFPZSA-N 1 0 323.908 6.002 40 0 DKABRO Cc1cccc(CCC[NH2+][C@H](C)c2cccc3ccccc32)c1 ZINC000144379635 563677555 /nfs/dbraw/zinc/67/75/55/563677555.db2.gz BREGDWXNNPCUFR-GOSISDBHSA-N 1 0 303.449 5.432 40 0 DKABRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789134 563851890 /nfs/dbraw/zinc/85/18/90/563851890.db2.gz IOMMUDRVBGGJGC-HZPDHXFCSA-N 1 0 320.436 5.258 40 0 DKABRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789174 563852047 /nfs/dbraw/zinc/85/20/47/563852047.db2.gz IOMMUDRVBGGJGC-IYBDPMFKSA-N 1 0 320.436 5.258 40 0 DKABRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc2oc(-c3ccccc3)nc2c1 ZINC000216789226 563852037 /nfs/dbraw/zinc/85/20/37/563852037.db2.gz IOMMUDRVBGGJGC-HOTGVXAUSA-N 1 0 320.436 5.258 40 0 DKABRO C[N@H+](Cc1ccc2oc(-c3ccccc3)nc2c1)C1CCCCC1 ZINC000216789493 201497938 /nfs/dbraw/zinc/49/79/38/201497938.db2.gz VUZCKARLVAUVQW-UHFFFAOYSA-N 1 0 320.436 5.259 40 0 DKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790051 563852291 /nfs/dbraw/zinc/85/22/91/563852291.db2.gz FNQCDABRGGADAD-CQSZACIVSA-N 1 0 324.399 5.008 40 0 DKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3ccccc3F)nc2c1 ZINC000216790099 563851808 /nfs/dbraw/zinc/85/18/08/563851808.db2.gz FNQCDABRGGADAD-AWEZNQCLSA-N 1 0 324.399 5.008 40 0 DKABRO Fc1ccccc1-c1nc2cc(C[NH2+]C3CCCCC3)ccc2o1 ZINC000216790840 563852210 /nfs/dbraw/zinc/85/22/10/563852210.db2.gz OVSBLSWXHUJMPH-UHFFFAOYSA-N 1 0 324.399 5.056 40 0 DKABRO C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216841968 563711457 /nfs/dbraw/zinc/71/14/57/563711457.db2.gz FIXRZEALKGTDRL-CQSZACIVSA-N 1 0 324.399 5.008 40 0 DKABRO C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(-c3cccc(F)c3)nc2c1 ZINC000216842003 563711068 /nfs/dbraw/zinc/71/10/68/563711068.db2.gz FIXRZEALKGTDRL-AWEZNQCLSA-N 1 0 324.399 5.008 40 0 DKABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(O[C@@H](C)CC)ccc21 ZINC000223764917 563735835 /nfs/dbraw/zinc/73/58/35/563735835.db2.gz IVPPNWJQWJGDFZ-HNNXBMFYSA-N 1 0 316.489 5.037 40 0 DKABRO CCCCn1c(C)c(C[NH2+]CC)c2cc(O[C@H](C)CC)ccc21 ZINC000223764959 201656146 /nfs/dbraw/zinc/65/61/46/201656146.db2.gz IVPPNWJQWJGDFZ-OAHLLOKOSA-N 1 0 316.489 5.037 40 0 DKABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(OC(C)C)ccc21 ZINC000223766781 563735830 /nfs/dbraw/zinc/73/58/30/563735830.db2.gz UNUIPQSGPJUOLO-UHFFFAOYSA-N 1 0 316.489 5.037 40 0 DKABRO CCCCn1c(C)c(C[NH2+]CCC)c2cc(OCCC)ccc21 ZINC000223767216 563735869 /nfs/dbraw/zinc/73/58/69/563735869.db2.gz YSZQIHRWBCCUCZ-UHFFFAOYSA-N 1 0 316.489 5.038 40 0 DKABRO CCC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(CCC)c1C ZINC000223767685 563735837 /nfs/dbraw/zinc/73/58/37/563735837.db2.gz VSOAKFKEYJXFNR-HNNXBMFYSA-N 1 0 316.489 5.037 40 0 DKABRO CCC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(CCC)c1C ZINC000223767732 563735872 /nfs/dbraw/zinc/73/58/72/563735872.db2.gz VSOAKFKEYJXFNR-OAHLLOKOSA-N 1 0 316.489 5.037 40 0 DKABRO CCC[NH2+]Cc1c2cc(O[C@@H](C)CC)ccc2n(C(C)C)c1C ZINC000223767796 563735917 /nfs/dbraw/zinc/73/59/17/563735917.db2.gz DPOCESUYPQGGMK-HNNXBMFYSA-N 1 0 316.489 5.208 40 0 DKABRO CCC[NH2+]Cc1c2cc(O[C@H](C)CC)ccc2n(C(C)C)c1C ZINC000223767845 563735884 /nfs/dbraw/zinc/73/58/84/563735884.db2.gz DPOCESUYPQGGMK-OAHLLOKOSA-N 1 0 316.489 5.208 40 0 DKABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(OC(C)C)ccc21 ZINC000223769854 563736559 /nfs/dbraw/zinc/73/65/59/563736559.db2.gz ZROSHIUFTNITBQ-UHFFFAOYSA-N 1 0 316.489 5.035 40 0 DKABRO CCCCn1c(C)c(C[NH2+]C(C)C)c2cc(OCCC)ccc21 ZINC000223770329 201656263 /nfs/dbraw/zinc/65/62/63/201656263.db2.gz FDPFHSRZWSGFEN-UHFFFAOYSA-N 1 0 316.489 5.037 40 0 DKABRO CCCn1c(C)c(C[NH2+]C(C)C)c2cc(O[C@@H](C)CC)ccc21 ZINC000223770929 563736634 /nfs/dbraw/zinc/73/66/34/563736634.db2.gz LBSBWAXNPRBAHE-HNNXBMFYSA-N 1 0 316.489 5.035 40 0 DKABRO CCCn1c(C)c(C[NH2+]C(C)C)c2cc(O[C@H](C)CC)ccc21 ZINC000223770985 563736626 /nfs/dbraw/zinc/73/66/26/563736626.db2.gz LBSBWAXNPRBAHE-OAHLLOKOSA-N 1 0 316.489 5.035 40 0 DKABRO CC[C@@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C(C)C ZINC000223771075 563736627 /nfs/dbraw/zinc/73/66/27/563736627.db2.gz JQMQBIQXARVXDL-OAHLLOKOSA-N 1 0 316.489 5.206 40 0 DKABRO CC[C@H](C)Oc1ccc2c(c1)c(C[NH2+]C(C)C)c(C)n2C(C)C ZINC000223771132 201656569 /nfs/dbraw/zinc/65/65/69/201656569.db2.gz JQMQBIQXARVXDL-HNNXBMFYSA-N 1 0 316.489 5.206 40 0 DKABRO c1ccc2c(c1)cccc2C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408580243 257229907 /nfs/dbraw/zinc/22/99/07/257229907.db2.gz BLWOPWIBWVOBAT-UHFFFAOYSA-N 1 0 321.508 6.307 40 0 DKABRO Clc1ccccc1C[NH+](C1CCCCC1)C1CCCCC1 ZINC000408583260 257229852 /nfs/dbraw/zinc/22/98/52/257229852.db2.gz SYFPJESHHRSINW-UHFFFAOYSA-N 1 0 305.893 5.807 40 0 DKABRO Clc1ccc(C[NH+](C2CCCCC2)C2CCCCC2)cc1 ZINC000408583663 257229830 /nfs/dbraw/zinc/22/98/30/257229830.db2.gz WDCBTKRMOOSFCW-UHFFFAOYSA-N 1 0 305.893 5.807 40 0 DKABRO CC(C)[NH+](CC[C@@H](Oc1ccccc1)c1ccccc1)C(C)C ZINC000504558057 262489507 /nfs/dbraw/zinc/48/95/07/262489507.db2.gz ZSKAJFIGPTYWGR-OAQYLSRUSA-N 1 0 311.469 5.316 40 0 DKABRO