smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000585288881 357344517 /nfs/dbraw/zinc/34/45/17/357344517.db2.gz KVDHXTGFEQUVMX-RCCFBDPRSA-N 2 2 315.417 2.224 40 0 DEABLP O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000585284996 357345143 /nfs/dbraw/zinc/34/51/43/357345143.db2.gz LFBNWTJCYWHJLW-RCCFBDPRSA-N 2 2 322.424 2.172 40 0 DEABLP C[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000019461868 182124675 /nfs/dbraw/zinc/12/46/75/182124675.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 2 2 321.424 2.321 40 0 DEABLP C[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000019461868 182124677 /nfs/dbraw/zinc/12/46/77/182124677.db2.gz TWXVMGOZCGGXHQ-BJLQDIEVSA-N 2 2 321.424 2.321 40 0 DEABLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050988 /nfs/dbraw/zinc/05/09/88/402050988.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 2 2 322.449 2.149 40 0 DEABLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050991 /nfs/dbraw/zinc/05/09/91/402050991.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 2 2 322.449 2.149 40 0 DEABLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050992 /nfs/dbraw/zinc/05/09/92/402050992.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 2 2 322.449 2.149 40 0 DEABLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccc(C)o3)C2)C1 ZINC000096049465 402050996 /nfs/dbraw/zinc/05/09/96/402050996.db2.gz OIODWXLRGXLYRZ-SFHVURJKSA-N 2 2 322.449 2.149 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000253595542 402669636 /nfs/dbraw/zinc/66/96/36/402669636.db2.gz FUUNYYHRVNTBNQ-IEBWSBKVSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000253595542 402669640 /nfs/dbraw/zinc/66/96/40/402669640.db2.gz FUUNYYHRVNTBNQ-IEBWSBKVSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000253595542 402669642 /nfs/dbraw/zinc/66/96/42/402669642.db2.gz FUUNYYHRVNTBNQ-IEBWSBKVSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000253595542 402669644 /nfs/dbraw/zinc/66/96/44/402669644.db2.gz FUUNYYHRVNTBNQ-IEBWSBKVSA-N 2 2 315.461 2.406 40 0 DEABLP [NH3+]CC[N@@H+]1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391018 185168108 /nfs/dbraw/zinc/16/81/08/185168108.db2.gz XITGORGLZPMAPN-INIZCTEOSA-N 2 2 317.433 2.068 40 0 DEABLP [NH3+]CC[N@H+]1CC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391018 185168109 /nfs/dbraw/zinc/16/81/09/185168109.db2.gz XITGORGLZPMAPN-INIZCTEOSA-N 2 2 317.433 2.068 40 0 DEABLP c1ccc(COC[C@@H]2C[NH2+]CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072354442 191129062 /nfs/dbraw/zinc/12/90/62/191129062.db2.gz NQTQHLVTSYGPRN-LJQANCHMSA-N 2 2 311.429 2.320 40 0 DEABLP c1ccc(COC[C@@H]2C[NH2+]CC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000072354442 191129063 /nfs/dbraw/zinc/12/90/63/191129063.db2.gz NQTQHLVTSYGPRN-LJQANCHMSA-N 2 2 311.429 2.320 40 0 DEABLP c1coc(C[N@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)c1 ZINC000096220257 402071838 /nfs/dbraw/zinc/07/18/38/402071838.db2.gz HRVYTPNHGOIXHC-KBRIMQKVSA-N 2 2 300.358 2.200 40 0 DEABLP c1coc(C[N@@H+]2C[C@H]3OC[C@@H](COc4cc[nH+]cc4)[C@H]3C2)c1 ZINC000096220257 402071841 /nfs/dbraw/zinc/07/18/41/402071841.db2.gz HRVYTPNHGOIXHC-KBRIMQKVSA-N 2 2 300.358 2.200 40 0 DEABLP CC(C)[N@H+](C)Cc1nnn2c1C[NH+](Cc1ccoc1)CCC2 ZINC000096259481 402075573 /nfs/dbraw/zinc/07/55/73/402075573.db2.gz ZOZAPTQSAYTFCR-UHFFFAOYSA-N 2 2 303.410 2.117 40 0 DEABLP CC(C)[N@@H+](C)Cc1nnn2c1C[NH+](Cc1ccoc1)CCC2 ZINC000096259481 402075574 /nfs/dbraw/zinc/07/55/74/402075574.db2.gz ZOZAPTQSAYTFCR-UHFFFAOYSA-N 2 2 303.410 2.117 40 0 DEABLP CC(C)[NH+](C)Cc1nnn2c1C[N@H+](Cc1ccoc1)CCC2 ZINC000096259481 402075576 /nfs/dbraw/zinc/07/55/76/402075576.db2.gz ZOZAPTQSAYTFCR-UHFFFAOYSA-N 2 2 303.410 2.117 40 0 DEABLP CC(C)[NH+](C)Cc1nnn2c1C[N@@H+](Cc1ccoc1)CCC2 ZINC000096259481 402075578 /nfs/dbraw/zinc/07/55/78/402075578.db2.gz ZOZAPTQSAYTFCR-UHFFFAOYSA-N 2 2 303.410 2.117 40 0 DEABLP CC[NH+](CC)Cc1cnc2n1CC[N@@H+](Cc1nccs1)CC2 ZINC000096196824 402067405 /nfs/dbraw/zinc/06/74/05/402067405.db2.gz FQBQUGRRTWXAGN-UHFFFAOYSA-N 2 2 319.478 2.240 40 0 DEABLP CC[NH+](CC)Cc1cnc2n1CC[N@H+](Cc1nccs1)CC2 ZINC000096196824 402067407 /nfs/dbraw/zinc/06/74/07/402067407.db2.gz FQBQUGRRTWXAGN-UHFFFAOYSA-N 2 2 319.478 2.240 40 0 DEABLP C[C@@H]1CC(C)(C)[NH2+]CCC[NH2+][C@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068604541 402202398 /nfs/dbraw/zinc/20/23/98/402202398.db2.gz SHBUHHGAGPIXDR-HZPDHXFCSA-N 4 2 312.546 2.253 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257251874 402709071 /nfs/dbraw/zinc/70/90/71/402709071.db2.gz JSPVBOASRDSLIS-OAHLLOKOSA-N 2 2 303.435 2.332 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257251874 402709074 /nfs/dbraw/zinc/70/90/74/402709074.db2.gz JSPVBOASRDSLIS-OAHLLOKOSA-N 2 2 303.435 2.332 40 0 DEABLP [NH3+]CC[N@@H+]1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391015 185168257 /nfs/dbraw/zinc/16/82/57/185168257.db2.gz UGTVLNRKHKRPJI-QGZVFWFLSA-N 2 2 317.433 2.211 40 0 DEABLP [NH3+]CC[N@H+]1CCC[C@@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391015 185168258 /nfs/dbraw/zinc/16/82/58/185168258.db2.gz UGTVLNRKHKRPJI-QGZVFWFLSA-N 2 2 317.433 2.211 40 0 DEABLP CC[N@@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107962 402059824 /nfs/dbraw/zinc/05/98/24/402059824.db2.gz ZMNRIPSMZSNEHK-QFBILLFUSA-N 2 2 311.429 2.387 40 0 DEABLP CC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107962 402059826 /nfs/dbraw/zinc/05/98/26/402059826.db2.gz ZMNRIPSMZSNEHK-QFBILLFUSA-N 2 2 311.429 2.387 40 0 DEABLP CC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107962 402059828 /nfs/dbraw/zinc/05/98/28/402059828.db2.gz ZMNRIPSMZSNEHK-QFBILLFUSA-N 2 2 311.429 2.387 40 0 DEABLP CC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc4ccccc4n3)C[C@@H]2C1 ZINC000096107962 402059829 /nfs/dbraw/zinc/05/98/29/402059829.db2.gz ZMNRIPSMZSNEHK-QFBILLFUSA-N 2 2 311.429 2.387 40 0 DEABLP c1ccc(C[NH+]2CCC3(CC2)CN(c2cccc[nH+]2)CCO3)nc1 ZINC000096158989 402063388 /nfs/dbraw/zinc/06/33/88/402063388.db2.gz OVLOYDWWGGGGCN-UHFFFAOYSA-N 2 2 324.428 2.348 40 0 DEABLP C[C@H]1CC(C)(C)[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068604547 402202661 /nfs/dbraw/zinc/20/26/61/402202661.db2.gz SHBUHHGAGPIXDR-HOTGVXAUSA-N 4 2 312.546 2.253 40 0 DEABLP C[NH+]1CCN(c2ccc3[nH]c(-c4ccc(N)c(N)c4)[nH+]c3c2)CC1 ZINC000038287093 354166979 /nfs/dbraw/zinc/16/69/79/354166979.db2.gz QLNHNHONCDMJOL-UHFFFAOYSA-N 2 2 322.416 2.146 40 0 DEABLP C[N@H+](Cc1cnc([C@H]2CCCCO2)nc1)C1CC[NH+](C)CC1 ZINC000257340655 203062329 /nfs/dbraw/zinc/06/23/29/203062329.db2.gz ZHBGVONKZZNDPF-MRXNPFEDSA-N 2 2 304.438 2.244 40 0 DEABLP C[N@@H+](Cc1cnc([C@H]2CCCCO2)nc1)C1CC[NH+](C)CC1 ZINC000257340655 203062331 /nfs/dbraw/zinc/06/23/31/203062331.db2.gz ZHBGVONKZZNDPF-MRXNPFEDSA-N 2 2 304.438 2.244 40 0 DEABLP COCC[N@@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(C)s1)C2 ZINC000096062303 402055443 /nfs/dbraw/zinc/05/54/43/402055443.db2.gz UMWKBIWGWCILQO-QGZVFWFLSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[N@H+]1CC[C@]2(C1)COCC[NH+](Cc1ccc(C)s1)C2 ZINC000096062303 402055447 /nfs/dbraw/zinc/05/54/47/402055447.db2.gz UMWKBIWGWCILQO-QGZVFWFLSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[NH+]1CC[C@]2(C1)COCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096062303 402055449 /nfs/dbraw/zinc/05/54/49/402055449.db2.gz UMWKBIWGWCILQO-QGZVFWFLSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[NH+]1CC[C@]2(C1)COCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096062303 402055452 /nfs/dbraw/zinc/05/54/52/402055452.db2.gz UMWKBIWGWCILQO-QGZVFWFLSA-N 2 2 324.490 2.227 40 0 DEABLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161706 402064180 /nfs/dbraw/zinc/06/41/80/402064180.db2.gz WDBOVLFGDAPXCF-YESZJQIVSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161706 402064183 /nfs/dbraw/zinc/06/41/83/402064183.db2.gz WDBOVLFGDAPXCF-YESZJQIVSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161706 402064184 /nfs/dbraw/zinc/06/41/84/402064184.db2.gz WDBOVLFGDAPXCF-YESZJQIVSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161706 402064187 /nfs/dbraw/zinc/06/41/87/402064187.db2.gz WDBOVLFGDAPXCF-YESZJQIVSA-N 2 2 304.409 2.226 40 0 DEABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1nccs1)CC2 ZINC000096196841 402067222 /nfs/dbraw/zinc/06/72/22/402067222.db2.gz RKNMDBXAIZAPSB-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1nccs1)CC2 ZINC000096196841 402067225 /nfs/dbraw/zinc/06/72/25/402067225.db2.gz RKNMDBXAIZAPSB-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1nccs1)CC2 ZINC000096196841 402067227 /nfs/dbraw/zinc/06/72/27/402067227.db2.gz RKNMDBXAIZAPSB-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1nccs1)CC2 ZINC000096196841 402067230 /nfs/dbraw/zinc/06/72/30/402067230.db2.gz RKNMDBXAIZAPSB-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257257201 402709271 /nfs/dbraw/zinc/70/92/71/402709271.db2.gz KONCCMSVUMRTNG-KRWDZBQOSA-N 2 2 316.449 2.016 40 0 DEABLP CCC[NH+]1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000257257201 402709272 /nfs/dbraw/zinc/70/92/72/402709272.db2.gz KONCCMSVUMRTNG-KRWDZBQOSA-N 2 2 316.449 2.016 40 0 DEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@H+](Cc1cccnc1)C2 ZINC000096059407 402054111 /nfs/dbraw/zinc/05/41/11/402054111.db2.gz AUXOCBQHULZOBW-UHFFFAOYSA-N 2 2 311.433 2.280 40 0 DEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@@H+](Cc1cccnc1)C2 ZINC000096059407 402054115 /nfs/dbraw/zinc/05/41/15/402054115.db2.gz AUXOCBQHULZOBW-UHFFFAOYSA-N 2 2 311.433 2.280 40 0 DEABLP C[C@@H]1CC(C)(C)[NH2+]CCC[NH2+][C@@H](C)CC(C)(C)[NH2+]CCC[NH2+]1 ZINC000068604543 402202773 /nfs/dbraw/zinc/20/27/73/402202773.db2.gz SHBUHHGAGPIXDR-IYBDPMFKSA-N 4 2 312.546 2.253 40 0 DEABLP Cc1cc(N)cc([C@H]2C[N@H+](CC3(O)CCCCC3)CCO2)[nH+]1 ZINC000257239668 402707806 /nfs/dbraw/zinc/70/78/06/402707806.db2.gz HQHQJAMDMWUVDG-MRXNPFEDSA-N 2 2 305.422 2.041 40 0 DEABLP Cc1cc(N)cc([C@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)[nH+]1 ZINC000257239668 402707808 /nfs/dbraw/zinc/70/78/08/402707808.db2.gz HQHQJAMDMWUVDG-MRXNPFEDSA-N 2 2 305.422 2.041 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)c[nH+]1 ZINC000072378635 191140402 /nfs/dbraw/zinc/14/04/02/191140402.db2.gz ZDZRIIBZNBPGBL-INIZCTEOSA-N 2 2 306.373 2.394 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3Cc3cccnc3)n2)c[nH+]1 ZINC000072378635 191140404 /nfs/dbraw/zinc/14/04/04/191140404.db2.gz ZDZRIIBZNBPGBL-INIZCTEOSA-N 2 2 306.373 2.394 40 0 DEABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072379265 191141752 /nfs/dbraw/zinc/14/17/52/191141752.db2.gz MKVBDWYOLKLPTH-CQSZACIVSA-N 2 2 313.405 2.013 40 0 DEABLP CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072379265 191141754 /nfs/dbraw/zinc/14/17/54/191141754.db2.gz MKVBDWYOLKLPTH-CQSZACIVSA-N 2 2 313.405 2.013 40 0 DEABLP O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000585289541 357344579 /nfs/dbraw/zinc/34/45/79/357344579.db2.gz RIBYAXUUANOEMW-IPMKNSEASA-N 2 2 318.461 2.423 40 0 DEABLP Cc1[nH]c(C[N@@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c[nH+]1 ZINC000108532429 402256708 /nfs/dbraw/zinc/25/67/08/402256708.db2.gz GXJHQNWHKRKBQD-SJLPKXTDSA-N 2 2 316.449 2.333 40 0 DEABLP Cc1[nH]c(C[N@H+]2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c[nH+]1 ZINC000108532429 402256712 /nfs/dbraw/zinc/25/67/12/402256712.db2.gz GXJHQNWHKRKBQD-SJLPKXTDSA-N 2 2 316.449 2.333 40 0 DEABLP CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257204545 402702396 /nfs/dbraw/zinc/70/23/96/402702396.db2.gz AVCKOSBADKTXKY-KRWDZBQOSA-N 2 2 300.406 2.343 40 0 DEABLP CC(C)Oc1ccc([C@@H]2C[NH2+]CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257204545 402702399 /nfs/dbraw/zinc/70/23/99/402702399.db2.gz AVCKOSBADKTXKY-KRWDZBQOSA-N 2 2 300.406 2.343 40 0 DEABLP CC(C)N(C[C@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411668 185169962 /nfs/dbraw/zinc/16/99/62/185169962.db2.gz KBLWOXYIKWOKFT-KRWDZBQOSA-N 2 2 319.449 2.314 40 0 DEABLP CC(C)N(C[C@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411668 185169963 /nfs/dbraw/zinc/16/99/63/185169963.db2.gz KBLWOXYIKWOKFT-KRWDZBQOSA-N 2 2 319.449 2.314 40 0 DEABLP C[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](/C=C/c3ccccc3)CC2)C1 ZINC000078582339 401856719 /nfs/dbraw/zinc/85/67/19/401856719.db2.gz DAZCKQRBAGFRMD-CKDFRHGISA-N 2 2 313.445 2.143 40 0 DEABLP C[N@H+]1CCC[C@H](C(=O)N2CC[NH+](/C=C/c3ccccc3)CC2)C1 ZINC000078582339 401856721 /nfs/dbraw/zinc/85/67/21/401856721.db2.gz DAZCKQRBAGFRMD-CKDFRHGISA-N 2 2 313.445 2.143 40 0 DEABLP c1ccc(N2CC[C@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096062478 402055409 /nfs/dbraw/zinc/05/54/09/402055409.db2.gz QXWAHKREBZECCC-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(N2CC[C@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096062478 402055412 /nfs/dbraw/zinc/05/54/12/402055412.db2.gz QXWAHKREBZECCC-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP CN(C)c1cc([C@H]2CCCN2C(=O)CCC[NH+](C)C)cc[nH+]1 ZINC000257223275 289108393 /nfs/dbraw/zinc/10/83/93/289108393.db2.gz DWPSKEIMRWFFNN-OAHLLOKOSA-N 2 2 304.438 2.153 40 0 DEABLP c1cn(-c2cncc(C3CC[NH+](Cc4ccccn4)CC3)n2)c[nH+]1 ZINC000072355426 191128766 /nfs/dbraw/zinc/12/87/66/191128766.db2.gz ZRVMSLZYTWIQGQ-UHFFFAOYSA-N 2 2 320.400 2.437 40 0 DEABLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585278541 357343517 /nfs/dbraw/zinc/34/35/17/357343517.db2.gz TZZOPZBZIUSBKD-KRWDZBQOSA-N 2 2 319.380 2.058 40 0 DEABLP CCn1c[nH+]cc1C[N@H+]1CC[C@@](O)(COc2cccc(F)c2)C1 ZINC000585278541 357343522 /nfs/dbraw/zinc/34/35/22/357343522.db2.gz TZZOPZBZIUSBKD-KRWDZBQOSA-N 2 2 319.380 2.058 40 0 DEABLP C[N@@H+](Cc1cn2c(n1)C[NH+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053925 /nfs/dbraw/zinc/05/39/25/402053925.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 2 2 300.406 2.334 40 0 DEABLP C[N@H+](Cc1cn2c(n1)C[NH+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053928 /nfs/dbraw/zinc/05/39/28/402053928.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 2 2 300.406 2.334 40 0 DEABLP C[NH+](Cc1cn2c(n1)C[N@@H+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053930 /nfs/dbraw/zinc/05/39/30/402053930.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 2 2 300.406 2.334 40 0 DEABLP C[NH+](Cc1cn2c(n1)C[N@H+](CC1CC1)CC2)Cc1ccco1 ZINC000096059536 402053933 /nfs/dbraw/zinc/05/39/33/402053933.db2.gz FXMWCVLOSSNFNG-UHFFFAOYSA-N 2 2 300.406 2.334 40 0 DEABLP Cc1cccc(C[NH+]2CC3(C2)CC[C@H](C[NH+]2CCCC2)CO3)n1 ZINC000247886687 402577322 /nfs/dbraw/zinc/57/73/22/402577322.db2.gz TYSYNEKNGPXNIQ-QGZVFWFLSA-N 2 2 315.461 2.467 40 0 DEABLP Cc1cc(N)cc([C@@H]2C[N@H+](CC3(O)CCCCC3)CCO2)[nH+]1 ZINC000257239667 402707752 /nfs/dbraw/zinc/70/77/52/402707752.db2.gz HQHQJAMDMWUVDG-INIZCTEOSA-N 2 2 305.422 2.041 40 0 DEABLP Cc1cc(N)cc([C@@H]2C[N@@H+](CC3(O)CCCCC3)CCO2)[nH+]1 ZINC000257239667 402707754 /nfs/dbraw/zinc/70/77/54/402707754.db2.gz HQHQJAMDMWUVDG-INIZCTEOSA-N 2 2 305.422 2.041 40 0 DEABLP C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000253591737 402669963 /nfs/dbraw/zinc/66/99/63/402669963.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 2 2 321.424 2.321 40 0 DEABLP C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2[NH3+] ZINC000253591737 402669964 /nfs/dbraw/zinc/66/99/64/402669964.db2.gz TWXVMGOZCGGXHQ-HBFSDRIKSA-N 2 2 321.424 2.321 40 0 DEABLP CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH+]c[nH]2)cc1 ZINC000257204546 402702254 /nfs/dbraw/zinc/70/22/54/402702254.db2.gz AVCKOSBADKTXKY-QGZVFWFLSA-N 2 2 300.406 2.343 40 0 DEABLP CC(C)Oc1ccc([C@H]2C[NH2+]CCN2Cc2c[nH]c[nH+]2)cc1 ZINC000257204546 402702255 /nfs/dbraw/zinc/70/22/55/402702255.db2.gz AVCKOSBADKTXKY-QGZVFWFLSA-N 2 2 300.406 2.343 40 0 DEABLP Cc1cccc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)n1 ZINC000306133359 231088156 /nfs/dbraw/zinc/08/81/56/231088156.db2.gz MJNPRSZRHIDFND-KBAYOESNSA-N 2 2 324.428 2.344 40 0 DEABLP Cc1cccc(C[N@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)n1 ZINC000306133359 231088159 /nfs/dbraw/zinc/08/81/59/231088159.db2.gz MJNPRSZRHIDFND-KBAYOESNSA-N 2 2 324.428 2.344 40 0 DEABLP Cc1ncsc1CN1Cc2c[nH+]cn2[C@H](CC[NH+](C)C)C1 ZINC000306141325 231089964 /nfs/dbraw/zinc/08/99/64/231089964.db2.gz VRZUEKCFYITWKY-CYBMUJFWSA-N 2 2 305.451 2.157 40 0 DEABLP Cc1cc(N)cc([C@@H]2C[N@H+](CCOc3ccccc3)CCO2)[nH+]1 ZINC000257331062 203054689 /nfs/dbraw/zinc/05/46/89/203054689.db2.gz XRFQRRSNJSGLNH-SFHVURJKSA-N 2 2 313.401 2.425 40 0 DEABLP Cc1cc(N)cc([C@@H]2C[N@@H+](CCOc3ccccc3)CCO2)[nH+]1 ZINC000257331062 203054691 /nfs/dbraw/zinc/05/46/91/203054691.db2.gz XRFQRRSNJSGLNH-SFHVURJKSA-N 2 2 313.401 2.425 40 0 DEABLP C[N@H+](Cc1cnc([C@@H]2CCCCO2)nc1)C1CC[NH+](C)CC1 ZINC000257340654 203063576 /nfs/dbraw/zinc/06/35/76/203063576.db2.gz ZHBGVONKZZNDPF-INIZCTEOSA-N 2 2 304.438 2.244 40 0 DEABLP C[N@@H+](Cc1cnc([C@@H]2CCCCO2)nc1)C1CC[NH+](C)CC1 ZINC000257340654 203063580 /nfs/dbraw/zinc/06/35/80/203063580.db2.gz ZHBGVONKZZNDPF-INIZCTEOSA-N 2 2 304.438 2.244 40 0 DEABLP C[C@@H]1C[C@@H](C)CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923265 257214614 /nfs/dbraw/zinc/21/46/14/257214614.db2.gz PADNVIDOLHOIIB-CHWSQXEVSA-N 2 2 314.437 2.233 40 0 DEABLP C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](/C=C/c3ccccc3)CC2)C1 ZINC000078582346 401856791 /nfs/dbraw/zinc/85/67/91/401856791.db2.gz DAZCKQRBAGFRMD-SXAWMYDMSA-N 2 2 313.445 2.143 40 0 DEABLP C[N@H+]1CCC[C@@H](C(=O)N2CC[NH+](/C=C/c3ccccc3)CC2)C1 ZINC000078582346 401856793 /nfs/dbraw/zinc/85/67/93/401856793.db2.gz DAZCKQRBAGFRMD-SXAWMYDMSA-N 2 2 313.445 2.143 40 0 DEABLP Cc1ccc(C[NH+]2CCc3nnc(C[N@@H+](C)C(C)C)n3CC2)o1 ZINC000096058951 402054152 /nfs/dbraw/zinc/05/41/52/402054152.db2.gz IILGUFVDENNBMM-UHFFFAOYSA-N 2 2 317.437 2.078 40 0 DEABLP Cc1ccc(C[NH+]2CCc3nnc(C[N@H+](C)C(C)C)n3CC2)o1 ZINC000096058951 402054154 /nfs/dbraw/zinc/05/41/54/402054154.db2.gz IILGUFVDENNBMM-UHFFFAOYSA-N 2 2 317.437 2.078 40 0 DEABLP Cc1ccc(C[N@H+]2CCc3nnc(C[NH+](C)C(C)C)n3CC2)o1 ZINC000096058951 402054156 /nfs/dbraw/zinc/05/41/56/402054156.db2.gz IILGUFVDENNBMM-UHFFFAOYSA-N 2 2 317.437 2.078 40 0 DEABLP Cc1ccc(C[N@@H+]2CCc3nnc(C[NH+](C)C(C)C)n3CC2)o1 ZINC000096058951 402054158 /nfs/dbraw/zinc/05/41/58/402054158.db2.gz IILGUFVDENNBMM-UHFFFAOYSA-N 2 2 317.437 2.078 40 0 DEABLP COc1ncccc1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161480 402063953 /nfs/dbraw/zinc/06/39/53/402063953.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 2 2 324.428 2.049 40 0 DEABLP COc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161480 402063955 /nfs/dbraw/zinc/06/39/55/402063955.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 2 2 324.428 2.049 40 0 DEABLP COc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161480 402063957 /nfs/dbraw/zinc/06/39/57/402063957.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 2 2 324.428 2.049 40 0 DEABLP COc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161480 402063958 /nfs/dbraw/zinc/06/39/58/402063958.db2.gz WAZHNMAZJLVBLN-HDICACEKSA-N 2 2 324.428 2.049 40 0 DEABLP COc1ccc(C[N@H+]2Cc3ccnn3[C@H](CC[NH+](C)C)C2)cc1 ZINC000248075820 402582067 /nfs/dbraw/zinc/58/20/67/402582067.db2.gz BSOBHEOLIISFLM-QGZVFWFLSA-N 2 2 314.433 2.400 40 0 DEABLP COc1ccc(C[N@@H+]2Cc3ccnn3[C@H](CC[NH+](C)C)C2)cc1 ZINC000248075820 402582069 /nfs/dbraw/zinc/58/20/69/402582069.db2.gz BSOBHEOLIISFLM-QGZVFWFLSA-N 2 2 314.433 2.400 40 0 DEABLP CC(C)[C@H]([NH2+]C[C@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087357 1078371616 /nfs/dbraw/zinc/37/16/16/1078371616.db2.gz KMUGKVDSUWVBCS-FUHWJXTLSA-N 2 2 316.449 2.306 40 0 DEABLP CC(C)[C@H]([NH2+]C[C@]1(O)CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087357 1078371618 /nfs/dbraw/zinc/37/16/18/1078371618.db2.gz KMUGKVDSUWVBCS-FUHWJXTLSA-N 2 2 316.449 2.306 40 0 DEABLP O[C@@H]1[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)CCC[C@H]1Oc1cccc(F)c1 ZINC000585286563 357344402 /nfs/dbraw/zinc/34/44/02/357344402.db2.gz LNIPNWYLLXVSNW-CSMYWGQOSA-N 2 2 319.380 2.247 40 0 DEABLP C[NH+]1CCC([NH3+])(C(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000091690025 193091284 /nfs/dbraw/zinc/09/12/84/193091284.db2.gz OABWTZWDEQWEBI-UHFFFAOYSA-N 2 2 323.440 2.315 40 0 DEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000022076416 401826336 /nfs/dbraw/zinc/82/63/36/401826336.db2.gz VQFCINAXXGPBFN-AWEZNQCLSA-N 2 2 320.458 2.387 40 0 DEABLP CC(C)COC[C@H]1CN(CC[NH+]2CCCC2)Cc2[nH+]cn(C)c21 ZINC000096068634 402056198 /nfs/dbraw/zinc/05/61/98/402056198.db2.gz XUYOIFBULZRDLY-MRXNPFEDSA-N 2 2 320.481 2.088 40 0 DEABLP COc1ccccc1CN1Cc2c[nH+]cn2[C@H](C[NH+](C)C)C1 ZINC000248079724 402582233 /nfs/dbraw/zinc/58/22/33/402582233.db2.gz CLPOVVYCRZUZIE-MRXNPFEDSA-N 2 2 300.406 2.010 40 0 DEABLP CC[NH+](CC)C[C@H]1CN(CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248253558 402586011 /nfs/dbraw/zinc/58/60/11/402586011.db2.gz NFRKXXNHQQMBIP-KRWDZBQOSA-N 2 2 306.454 2.008 40 0 DEABLP Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)[C@H]1O ZINC000585289944 357345237 /nfs/dbraw/zinc/34/52/37/357345237.db2.gz XZSPODNQAYSPCW-QXAKKESOSA-N 2 2 318.461 2.341 40 0 DEABLP COc1ccc(Br)cc1C[NH2+]CCC[NH+](C)C ZINC000057629900 184042783 /nfs/dbraw/zinc/04/27/83/184042783.db2.gz GRJWXCBGZWJTQS-UHFFFAOYSA-N 2 2 301.228 2.499 40 0 DEABLP CC[NH+]1CCC([N@@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)CC1 ZINC000257214472 285187498 /nfs/dbraw/zinc/18/74/98/285187498.db2.gz CMCULFBEJVKGRQ-LJQANCHMSA-N 2 2 315.461 2.376 40 0 DEABLP CC[NH+]1CCC([N@H+]2CCN(C(C)=O)C[C@@H]2c2ccccc2)CC1 ZINC000257214472 285187499 /nfs/dbraw/zinc/18/74/99/285187499.db2.gz CMCULFBEJVKGRQ-LJQANCHMSA-N 2 2 315.461 2.376 40 0 DEABLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049455 402051303 /nfs/dbraw/zinc/05/13/03/402051303.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049455 402051305 /nfs/dbraw/zinc/05/13/05/402051305.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049455 402051306 /nfs/dbraw/zinc/05/13/06/402051306.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000096049455 402051307 /nfs/dbraw/zinc/05/13/07/402051307.db2.gz SSJAKBHHDFLBNL-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP CCN(C[C@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411615 185169990 /nfs/dbraw/zinc/16/99/90/185169990.db2.gz PVSYACXGHKRIOH-KRWDZBQOSA-N 2 2 319.449 2.316 40 0 DEABLP CCN(C[C@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411615 185169991 /nfs/dbraw/zinc/16/99/91/185169991.db2.gz PVSYACXGHKRIOH-KRWDZBQOSA-N 2 2 319.449 2.316 40 0 DEABLP c1cn(-c2nccnc2[C@H]2CCC[N@H+](C3CCOCC3)C2)c[nH+]1 ZINC000072350681 191127379 /nfs/dbraw/zinc/12/73/79/191127379.db2.gz YQPVETOZJFUQBO-AWEZNQCLSA-N 2 2 313.405 2.021 40 0 DEABLP c1cn(-c2nccnc2[C@H]2CCC[N@@H+](C3CCOCC3)C2)c[nH+]1 ZINC000072350681 191127382 /nfs/dbraw/zinc/12/73/82/191127382.db2.gz YQPVETOZJFUQBO-AWEZNQCLSA-N 2 2 313.405 2.021 40 0 DEABLP Cc1cc(CC2CCN(C(=O)CCn3cc[nH+]c3)CC2)cc[nH+]1 ZINC000257316056 203040673 /nfs/dbraw/zinc/04/06/73/203040673.db2.gz VDYCIGQDNSJFQJ-UHFFFAOYSA-N 2 2 312.417 2.458 40 0 DEABLP Cn1cc[nH+]c1CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1Cc1ccccc1 ZINC000019291497 182113739 /nfs/dbraw/zinc/11/37/39/182113739.db2.gz OBXOAQPTPFTUCU-ROUUACIJSA-N 2 2 310.445 2.311 40 0 DEABLP Cn1cc[nH+]c1CN1C[C@@H]2CCC[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019291497 182113740 /nfs/dbraw/zinc/11/37/40/182113740.db2.gz OBXOAQPTPFTUCU-ROUUACIJSA-N 2 2 310.445 2.311 40 0 DEABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1cccs1)CC2 ZINC000096058946 402054020 /nfs/dbraw/zinc/05/40/20/402054020.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1cccs1)CC2 ZINC000096058946 402054022 /nfs/dbraw/zinc/05/40/22/402054022.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1cccs1)CC2 ZINC000096058946 402054025 /nfs/dbraw/zinc/05/40/25/402054025.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1cccs1)CC2 ZINC000096058946 402054026 /nfs/dbraw/zinc/05/40/26/402054026.db2.gz DVISKKPBRGMANO-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP c1cc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)co1 ZINC000096062461 402055220 /nfs/dbraw/zinc/05/52/20/402055220.db2.gz FHDWMYPBNLYOLL-GOSISDBHSA-N 2 2 313.401 2.404 40 0 DEABLP c1cc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)co1 ZINC000096062461 402055222 /nfs/dbraw/zinc/05/52/22/402055222.db2.gz FHDWMYPBNLYOLL-GOSISDBHSA-N 2 2 313.401 2.404 40 0 DEABLP C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185667 402066254 /nfs/dbraw/zinc/06/62/54/402066254.db2.gz WEZHJQPSCVKASP-IKGGRYGDSA-N 2 2 300.406 2.071 40 0 DEABLP C[N@H+]1[C@H](Cn2cccn2)C[C@@H]2C[NH+](Cc3ccoc3)CC[C@@H]21 ZINC000096185667 402066257 /nfs/dbraw/zinc/06/62/57/402066257.db2.gz WEZHJQPSCVKASP-IKGGRYGDSA-N 2 2 300.406 2.071 40 0 DEABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185667 402066260 /nfs/dbraw/zinc/06/62/60/402066260.db2.gz WEZHJQPSCVKASP-IKGGRYGDSA-N 2 2 300.406 2.071 40 0 DEABLP C[NH+]1[C@H](Cn2cccn2)C[C@@H]2C[N@@H+](Cc3ccoc3)CC[C@@H]21 ZINC000096185667 402066263 /nfs/dbraw/zinc/06/62/63/402066263.db2.gz WEZHJQPSCVKASP-IKGGRYGDSA-N 2 2 300.406 2.071 40 0 DEABLP c1ccc(NC[C@]23COC[C@H]2C[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000108531529 402256518 /nfs/dbraw/zinc/25/65/18/402256518.db2.gz LCFCPFGTSGKCCC-AEFFLSMTSA-N 2 2 310.401 2.037 40 0 DEABLP c1ccc(NC[C@]23COC[C@H]2C[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000108531529 402256520 /nfs/dbraw/zinc/25/65/20/402256520.db2.gz LCFCPFGTSGKCCC-AEFFLSMTSA-N 2 2 310.401 2.037 40 0 DEABLP CCCn1cc[nH+]c1CN1CCO[C@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257325859 402711925 /nfs/dbraw/zinc/71/19/25/402711925.db2.gz WUTNAANZGPKVAJ-INIZCTEOSA-N 2 2 315.421 2.152 40 0 DEABLP CCOC[C@@H]1CCn2c[nH+]cc2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585097513 405866349 /nfs/dbraw/zinc/86/63/49/405866349.db2.gz MOSORZGLBLDPDX-KRWDZBQOSA-N 2 2 315.417 2.186 40 0 DEABLP CCOC[C@@H]1CCn2c[nH+]cc2C[N@H+]1Cc1ccc(CO)cc1 ZINC000585097513 405866356 /nfs/dbraw/zinc/86/63/56/405866356.db2.gz MOSORZGLBLDPDX-KRWDZBQOSA-N 2 2 315.417 2.186 40 0 DEABLP C[NH+](C)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccc(F)cc2)C1 ZINC000096059178 402053969 /nfs/dbraw/zinc/05/39/69/402053969.db2.gz VOTKMOHPQUYEMY-OAHLLOKOSA-N 2 2 302.397 2.216 40 0 DEABLP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)n1 ZINC000096226176 402072477 /nfs/dbraw/zinc/07/24/77/402072477.db2.gz YQGLGMJMOGVJJM-UHFFFAOYSA-N 2 2 315.461 2.467 40 0 DEABLP Cc1cccc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)n1 ZINC000096226176 402072481 /nfs/dbraw/zinc/07/24/81/402072481.db2.gz YQGLGMJMOGVJJM-UHFFFAOYSA-N 2 2 315.461 2.467 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072355431 191128846 /nfs/dbraw/zinc/12/88/46/191128846.db2.gz ZRMXNPZJYLUMRQ-INIZCTEOSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072355431 191128848 /nfs/dbraw/zinc/12/88/48/191128848.db2.gz ZRMXNPZJYLUMRQ-INIZCTEOSA-N 2 2 320.400 2.437 40 0 DEABLP c1csc(C[N@@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108178 402059593 /nfs/dbraw/zinc/05/95/93/402059593.db2.gz FIUQQUMOASVMHH-WMLDXEAASA-N 2 2 322.474 2.060 40 0 DEABLP c1csc(C[N@H+]2CCO[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108178 402059595 /nfs/dbraw/zinc/05/95/95/402059595.db2.gz FIUQQUMOASVMHH-WMLDXEAASA-N 2 2 322.474 2.060 40 0 DEABLP c1csc(C[NH+]2CCO[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108178 402059596 /nfs/dbraw/zinc/05/95/96/402059596.db2.gz FIUQQUMOASVMHH-WMLDXEAASA-N 2 2 322.474 2.060 40 0 DEABLP c1csc(C[NH+]2CCO[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096108178 402059599 /nfs/dbraw/zinc/05/95/99/402059599.db2.gz FIUQQUMOASVMHH-WMLDXEAASA-N 2 2 322.474 2.060 40 0 DEABLP c1coc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202236 402068780 /nfs/dbraw/zinc/06/87/80/402068780.db2.gz REUOVTPDNSACGC-GOSISDBHSA-N 2 2 313.401 2.404 40 0 DEABLP c1coc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202236 402068782 /nfs/dbraw/zinc/06/87/82/402068782.db2.gz REUOVTPDNSACGC-GOSISDBHSA-N 2 2 313.401 2.404 40 0 DEABLP COc1ccccc1C[N@H+]1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248142232 274157435 /nfs/dbraw/zinc/15/74/35/274157435.db2.gz UMCAZAUJTNUHCD-KRWDZBQOSA-N 2 2 314.433 2.400 40 0 DEABLP COc1ccccc1C[N@@H+]1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000248142232 274157439 /nfs/dbraw/zinc/15/74/39/274157439.db2.gz UMCAZAUJTNUHCD-KRWDZBQOSA-N 2 2 314.433 2.400 40 0 DEABLP CC[N@H+](CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391792 185168386 /nfs/dbraw/zinc/16/83/86/185168386.db2.gz PDGYKRMPXHYBRW-QGZVFWFLSA-N 2 2 319.449 2.458 40 0 DEABLP CC[N@@H+](CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391792 185168387 /nfs/dbraw/zinc/16/83/87/185168387.db2.gz PDGYKRMPXHYBRW-QGZVFWFLSA-N 2 2 319.449 2.458 40 0 DEABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072350554 191127879 /nfs/dbraw/zinc/12/78/79/191127879.db2.gz LHAJDUSSJFCIIH-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c[nH+]1 ZINC000072350554 191127880 /nfs/dbraw/zinc/12/78/80/191127880.db2.gz LHAJDUSSJFCIIH-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c[nH+]1 ZINC000072355437 191129603 /nfs/dbraw/zinc/12/96/03/191129603.db2.gz BTYSSYTUIZLRBG-INIZCTEOSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c[nH+]1 ZINC000072355437 191129605 /nfs/dbraw/zinc/12/96/05/191129605.db2.gz BTYSSYTUIZLRBG-INIZCTEOSA-N 2 2 320.400 2.437 40 0 DEABLP CNc1cc(C)[nH+]c([C@@H]2CN(Cc3[nH]c[nH+]c3C)CCO2)c1 ZINC000257318050 203043808 /nfs/dbraw/zinc/04/38/08/203043808.db2.gz VMGCXCKPRRMVPQ-INIZCTEOSA-N 2 2 301.394 2.037 40 0 DEABLP COc1cccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019565453 182129878 /nfs/dbraw/zinc/12/98/78/182129878.db2.gz QYABVKGZZGSPEL-GOSISDBHSA-N 2 2 324.428 2.468 40 0 DEABLP COc1cccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019565453 182129879 /nfs/dbraw/zinc/12/98/79/182129879.db2.gz QYABVKGZZGSPEL-GOSISDBHSA-N 2 2 324.428 2.468 40 0 DEABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096086774 284698640 /nfs/dbraw/zinc/69/86/40/284698640.db2.gz RQGOAXUXLLFFJV-HNNXBMFYSA-N 2 2 302.422 2.450 40 0 DEABLP COc1ccccc1C[NH+]1CC2(C1)CC[C@H](C[NH+](C)C)CO2 ZINC000248123789 402582905 /nfs/dbraw/zinc/58/29/05/402582905.db2.gz NWUHEFCDSMVOJT-OAHLLOKOSA-N 2 2 304.434 2.238 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257220125 402704996 /nfs/dbraw/zinc/70/49/96/402704996.db2.gz DJPXJYMMOADQME-QGZVFWFLSA-N 2 2 315.396 2.409 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257220125 402705000 /nfs/dbraw/zinc/70/50/00/402705000.db2.gz DJPXJYMMOADQME-QGZVFWFLSA-N 2 2 315.396 2.409 40 0 DEABLP Cc1cccc(O[C@@H]2CCC[C@H](C[NH2+]Cc3c[nH+]c[nH]3)[C@H]2O)c1 ZINC000585285211 357344321 /nfs/dbraw/zinc/34/43/21/357344321.db2.gz AKYXGVRJKNWNBT-ZTFGCOKTSA-N 2 2 315.417 2.416 40 0 DEABLP O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000585288940 357344656 /nfs/dbraw/zinc/34/46/56/357344656.db2.gz LKLAHXQUCWMZST-RCCFBDPRSA-N 2 2 304.434 2.033 40 0 DEABLP c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC[NH2+]1)CC1(CCOCC1)O2 ZINC000072334284 401709148 /nfs/dbraw/zinc/70/91/48/401709148.db2.gz IDCNGZSUHWVPJZ-INIZCTEOSA-N 2 2 302.418 2.182 40 0 DEABLP c1ccc2c(c1)C[N@H+](C[C@@H]1CCC[NH2+]1)CC1(CCOCC1)O2 ZINC000072334284 401709152 /nfs/dbraw/zinc/70/91/52/401709152.db2.gz IDCNGZSUHWVPJZ-INIZCTEOSA-N 2 2 302.418 2.182 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062969 402055718 /nfs/dbraw/zinc/05/57/18/402055718.db2.gz JZBYUBQNIKTYPJ-MSOLQXFVSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062969 402055721 /nfs/dbraw/zinc/05/57/21/402055721.db2.gz JZBYUBQNIKTYPJ-MSOLQXFVSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062969 402055722 /nfs/dbraw/zinc/05/57/22/402055722.db2.gz JZBYUBQNIKTYPJ-MSOLQXFVSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062969 402055726 /nfs/dbraw/zinc/05/57/26/402055726.db2.gz JZBYUBQNIKTYPJ-MSOLQXFVSA-N 2 2 301.434 2.158 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000096216074 402070547 /nfs/dbraw/zinc/07/05/47/402070547.db2.gz GSXODXBUVBCPIB-AEFFLSMTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000096216074 402070549 /nfs/dbraw/zinc/07/05/49/402070549.db2.gz GSXODXBUVBCPIB-AEFFLSMTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000096216074 402070552 /nfs/dbraw/zinc/07/05/52/402070552.db2.gz GSXODXBUVBCPIB-AEFFLSMTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000096216074 402070554 /nfs/dbraw/zinc/07/05/54/402070554.db2.gz GSXODXBUVBCPIB-AEFFLSMTSA-N 2 2 319.449 2.368 40 0 DEABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+]([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068657 /nfs/dbraw/zinc/06/86/57/402068657.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+]([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068659 /nfs/dbraw/zinc/06/86/59/402068659.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+]([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068661 /nfs/dbraw/zinc/06/86/61/402068661.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+]([C@@H]2CCOC2)C3)c1 ZINC000096202181 402068663 /nfs/dbraw/zinc/06/86/63/402068663.db2.gz XGZSTFVDFDCHJZ-NVXWUHKLSA-N 2 2 322.474 2.061 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000107191505 402227669 /nfs/dbraw/zinc/22/76/69/402227669.db2.gz FUUNYYHRVNTBNQ-MJGOQNOKSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000107191505 402227672 /nfs/dbraw/zinc/22/76/72/402227672.db2.gz FUUNYYHRVNTBNQ-MJGOQNOKSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000107191505 402227676 /nfs/dbraw/zinc/22/76/76/402227676.db2.gz FUUNYYHRVNTBNQ-MJGOQNOKSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)nc1 ZINC000107191505 402227679 /nfs/dbraw/zinc/22/76/79/402227679.db2.gz FUUNYYHRVNTBNQ-MJGOQNOKSA-N 2 2 315.461 2.406 40 0 DEABLP Cc1c[nH]c([C@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257253823 402709116 /nfs/dbraw/zinc/70/91/16/402709116.db2.gz KAKANTGVCFMQIB-AWEZNQCLSA-N 2 2 310.405 2.367 40 0 DEABLP Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257253823 402709118 /nfs/dbraw/zinc/70/91/18/402709118.db2.gz KAKANTGVCFMQIB-AWEZNQCLSA-N 2 2 310.405 2.367 40 0 DEABLP CC[N@H+](CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391790 185168465 /nfs/dbraw/zinc/16/84/65/185168465.db2.gz PDGYKRMPXHYBRW-KRWDZBQOSA-N 2 2 319.449 2.458 40 0 DEABLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391790 185168466 /nfs/dbraw/zinc/16/84/66/185168466.db2.gz PDGYKRMPXHYBRW-KRWDZBQOSA-N 2 2 319.449 2.458 40 0 DEABLP c1ccc(C[N@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306141412 231092179 /nfs/dbraw/zinc/09/21/79/231092179.db2.gz VVDROCJOTBOSNZ-DJIMGWMZSA-N 2 2 310.401 2.036 40 0 DEABLP c1ccc(C[N@@H+]2C[C@H]3OC[C@@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306141412 231092183 /nfs/dbraw/zinc/09/21/83/231092183.db2.gz VVDROCJOTBOSNZ-DJIMGWMZSA-N 2 2 310.401 2.036 40 0 DEABLP Cc1ncsc1C[N@@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319824 203043120 /nfs/dbraw/zinc/04/31/20/203043120.db2.gz VUFBNSBHZYUTEW-CQSZACIVSA-N 2 2 318.446 2.262 40 0 DEABLP Cc1ncsc1C[N@H+]1CCO[C@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319824 203043122 /nfs/dbraw/zinc/04/31/22/203043122.db2.gz VUFBNSBHZYUTEW-CQSZACIVSA-N 2 2 318.446 2.262 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107766075 402240948 /nfs/dbraw/zinc/24/09/48/402240948.db2.gz JZBYUBQNIKTYPJ-ROUUACIJSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107766075 402240950 /nfs/dbraw/zinc/24/09/50/402240950.db2.gz JZBYUBQNIKTYPJ-ROUUACIJSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107766075 402240951 /nfs/dbraw/zinc/24/09/51/402240951.db2.gz JZBYUBQNIKTYPJ-ROUUACIJSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000107766075 402240953 /nfs/dbraw/zinc/24/09/53/402240953.db2.gz JZBYUBQNIKTYPJ-ROUUACIJSA-N 2 2 301.434 2.158 40 0 DEABLP c1csc(C[N@@H+]2CC[C@]3(C2)COCC[NH+]([C@H]2CCOC2)C3)c1 ZINC000247855387 402576995 /nfs/dbraw/zinc/57/69/95/402576995.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[N@H+]2CC[C@]3(C2)COCC[NH+]([C@H]2CCOC2)C3)c1 ZINC000247855387 402576996 /nfs/dbraw/zinc/57/69/96/402576996.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@@H+]([C@H]2CCOC2)C3)c1 ZINC000247855387 402576999 /nfs/dbraw/zinc/57/69/99/402576999.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@]3(C2)COCC[N@H+]([C@H]2CCOC2)C3)c1 ZINC000247855387 402577001 /nfs/dbraw/zinc/57/70/01/402577001.db2.gz XGZSTFVDFDCHJZ-DOTOQJQBSA-N 2 2 322.474 2.061 40 0 DEABLP CC[NH+](CC)CCC[NH2+][C@@H](C)C(=O)N1CCc2ccccc21 ZINC000004969448 276325563 /nfs/dbraw/zinc/32/55/63/276325563.db2.gz VPWUSGPSEIQECA-HNNXBMFYSA-N 2 2 303.450 2.286 40 0 DEABLP c1coc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202235 402069045 /nfs/dbraw/zinc/06/90/45/402069045.db2.gz REUOVTPDNSACGC-SFHVURJKSA-N 2 2 313.401 2.404 40 0 DEABLP c1coc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)c1 ZINC000096202235 402069048 /nfs/dbraw/zinc/06/90/48/402069048.db2.gz REUOVTPDNSACGC-SFHVURJKSA-N 2 2 313.401 2.404 40 0 DEABLP COc1ccc(C[N@@H+]2CCc3c(C[NH+](C)C)[nH]nc3C2)cc1 ZINC000096255842 402075320 /nfs/dbraw/zinc/07/53/20/402075320.db2.gz OJGSRLPCFBLFFH-UHFFFAOYSA-N 2 2 300.406 2.038 40 0 DEABLP COc1ccc(C[N@H+]2CCc3c(C[NH+](C)C)[nH]nc3C2)cc1 ZINC000096255842 402075323 /nfs/dbraw/zinc/07/53/23/402075323.db2.gz OJGSRLPCFBLFFH-UHFFFAOYSA-N 2 2 300.406 2.038 40 0 DEABLP COc1ccc(CN2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)cc1 ZINC000096188195 402066758 /nfs/dbraw/zinc/06/67/58/402066758.db2.gz ZAJPKOWINWUHAJ-INIZCTEOSA-N 2 2 314.433 2.085 40 0 DEABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)[C@@H]2C ZINC000096201200 402068096 /nfs/dbraw/zinc/06/80/96/402068096.db2.gz DKARPMWNLWXCEO-CQSZACIVSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)[C@@H]2C ZINC000096201200 402068097 /nfs/dbraw/zinc/06/80/97/402068097.db2.gz DKARPMWNLWXCEO-CQSZACIVSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096201200 402068099 /nfs/dbraw/zinc/06/80/99/402068099.db2.gz DKARPMWNLWXCEO-CQSZACIVSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@@H]2C ZINC000096201200 402068100 /nfs/dbraw/zinc/06/81/00/402068100.db2.gz DKARPMWNLWXCEO-CQSZACIVSA-N 2 2 316.453 2.034 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000251983992 402651949 /nfs/dbraw/zinc/65/19/49/402651949.db2.gz GSXODXBUVBCPIB-FUHWJXTLSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000251983992 402651952 /nfs/dbraw/zinc/65/19/52/402651952.db2.gz GSXODXBUVBCPIB-FUHWJXTLSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCOC3)C2)C1 ZINC000251983992 402651955 /nfs/dbraw/zinc/65/19/55/402651955.db2.gz GSXODXBUVBCPIB-FUHWJXTLSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000251983992 402651956 /nfs/dbraw/zinc/65/19/56/402651956.db2.gz GSXODXBUVBCPIB-FUHWJXTLSA-N 2 2 319.449 2.368 40 0 DEABLP CC(C)[C@@H]([NH2+]C[C@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087359 1078371343 /nfs/dbraw/zinc/37/13/43/1078371343.db2.gz KMUGKVDSUWVBCS-SJLPKXTDSA-N 2 2 316.449 2.306 40 0 DEABLP CC(C)[C@@H]([NH2+]C[C@]1(O)CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087359 1078371347 /nfs/dbraw/zinc/37/13/47/1078371347.db2.gz KMUGKVDSUWVBCS-SJLPKXTDSA-N 2 2 316.449 2.306 40 0 DEABLP Cc1[nH+]c[nH]c1CN1CCO[C@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257308696 203035155 /nfs/dbraw/zinc/03/51/55/203035155.db2.gz TXTHTTDHUUAMQR-KRWDZBQOSA-N 2 2 315.421 2.061 40 0 DEABLP Cc1cc(CC2CC[NH+](CC(=O)N3CCCC3)CC2)cc[nH+]1 ZINC000257310147 203035401 /nfs/dbraw/zinc/03/54/01/203035401.db2.gz UDVUBPHMHYJHFD-UHFFFAOYSA-N 2 2 301.434 2.267 40 0 DEABLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247903 182355036 /nfs/dbraw/zinc/35/50/36/182355036.db2.gz CGBQMUAOULFRLA-HNNXBMFYSA-N 2 2 315.417 2.111 40 0 DEABLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247903 182355038 /nfs/dbraw/zinc/35/50/38/182355038.db2.gz CGBQMUAOULFRLA-HNNXBMFYSA-N 2 2 315.417 2.111 40 0 DEABLP c1coc(C[N@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCOCC2)O3)c1 ZINC000096218962 402071539 /nfs/dbraw/zinc/07/15/39/402071539.db2.gz CYMDEWUYSBCGPB-QZTJIDSGSA-N 2 2 320.433 2.125 40 0 DEABLP c1coc(C[N@@H+]2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCOCC2)O3)c1 ZINC000096218962 402071541 /nfs/dbraw/zinc/07/15/41/402071541.db2.gz CYMDEWUYSBCGPB-QZTJIDSGSA-N 2 2 320.433 2.125 40 0 DEABLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161551 402064095 /nfs/dbraw/zinc/06/40/95/402064095.db2.gz AOEZZATUTTVTBJ-OKILXGFUSA-N 2 2 302.447 2.045 40 0 DEABLP Cn1cc[nH+]c1CN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1 ZINC000096161551 402064096 /nfs/dbraw/zinc/06/40/96/402064096.db2.gz AOEZZATUTTVTBJ-OKILXGFUSA-N 2 2 302.447 2.045 40 0 DEABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCCC1)C[N@@H+](C1CCOCC1)C2 ZINC000253588468 402669357 /nfs/dbraw/zinc/66/93/57/402669357.db2.gz DPUXDYPNKSFAIF-SFHVURJKSA-N 2 2 318.465 2.295 40 0 DEABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCCC1)C[N@H+](C1CCOCC1)C2 ZINC000253588468 402669359 /nfs/dbraw/zinc/66/93/59/402669359.db2.gz DPUXDYPNKSFAIF-SFHVURJKSA-N 2 2 318.465 2.295 40 0 DEABLP [NH3+]CC[N@H+](C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391862 185168273 /nfs/dbraw/zinc/16/82/73/185168273.db2.gz BEOFPMBIXLIWGN-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP [NH3+]CC[N@@H+](C1CC1)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000079391862 185168274 /nfs/dbraw/zinc/16/82/74/185168274.db2.gz BEOFPMBIXLIWGN-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP CC[N@H+](CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391780 185168528 /nfs/dbraw/zinc/16/85/28/185168528.db2.gz MLAIDEXCSDRSAA-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP CC[N@@H+](CC[NH3+])C[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391780 185168529 /nfs/dbraw/zinc/16/85/29/185168529.db2.gz MLAIDEXCSDRSAA-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP C[N@H+](CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391750 185168579 /nfs/dbraw/zinc/16/85/79/185168579.db2.gz GPFNRZGXCWCEKK-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP C[N@@H+](CC[NH3+])C[C@@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391750 185168580 /nfs/dbraw/zinc/16/85/80/185168580.db2.gz GPFNRZGXCWCEKK-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP C[N@H+](CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391752 185168676 /nfs/dbraw/zinc/16/86/76/185168676.db2.gz GPFNRZGXCWCEKK-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP C[N@@H+](CC[NH3+])C[C@H]1CCCCN1C(=O)OCc1ccccc1 ZINC000079391752 185168677 /nfs/dbraw/zinc/16/86/77/185168677.db2.gz GPFNRZGXCWCEKK-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP O[C@H]1CC[N@H+](CCc2ccc(F)cc2)CC[C@@H]1n1cc[nH+]c1 ZINC000257272535 203001384 /nfs/dbraw/zinc/00/13/84/203001384.db2.gz NCTHBIXBFCHBIG-IRXDYDNUSA-N 2 2 303.381 2.263 40 0 DEABLP O[C@H]1CC[N@@H+](CCc2ccc(F)cc2)CC[C@@H]1n1cc[nH+]c1 ZINC000257272535 203001388 /nfs/dbraw/zinc/00/13/88/203001388.db2.gz NCTHBIXBFCHBIG-IRXDYDNUSA-N 2 2 303.381 2.263 40 0 DEABLP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439436 401840306 /nfs/dbraw/zinc/84/03/06/401840306.db2.gz NFYDAMWQHAUDID-INIZCTEOSA-N 2 2 307.482 2.338 40 0 DEABLP CNc1cc(CC[C@H]2C[N@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257254032 402708663 /nfs/dbraw/zinc/70/86/63/402708663.db2.gz KBHFKUOZESTZOY-AWEZNQCLSA-N 2 2 318.446 2.413 40 0 DEABLP CNc1cc(CC[C@H]2C[N@@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257254032 402708664 /nfs/dbraw/zinc/70/86/64/402708664.db2.gz KBHFKUOZESTZOY-AWEZNQCLSA-N 2 2 318.446 2.413 40 0 DEABLP CC(C)n1nc(C2CC2)cc1C[NH2+]CCC[NH+]1CCOCC1 ZINC000256052674 402700143 /nfs/dbraw/zinc/70/01/43/402700143.db2.gz OGRFHAVJEQESIJ-UHFFFAOYSA-N 2 2 306.454 2.153 40 0 DEABLP CC(C)N(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411651 185170046 /nfs/dbraw/zinc/17/00/46/185170046.db2.gz YXHGZVOUNXUVLO-KRWDZBQOSA-N 2 2 319.449 2.457 40 0 DEABLP CC(C)N(C[C@@H]1CCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411651 185170047 /nfs/dbraw/zinc/17/00/47/185170047.db2.gz YXHGZVOUNXUVLO-KRWDZBQOSA-N 2 2 319.449 2.457 40 0 DEABLP c1ccc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306141413 231091309 /nfs/dbraw/zinc/09/13/09/231091309.db2.gz VVDROCJOTBOSNZ-USXIJHARSA-N 2 2 310.401 2.036 40 0 DEABLP c1ccc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)nc1 ZINC000306141413 231091313 /nfs/dbraw/zinc/09/13/13/231091313.db2.gz VVDROCJOTBOSNZ-USXIJHARSA-N 2 2 310.401 2.036 40 0 DEABLP c1ccc(COC[C@H]2C[NH2+]CC[N@H+](Cc3ccncc3)C2)cc1 ZINC000072354443 191128789 /nfs/dbraw/zinc/12/87/89/191128789.db2.gz NQTQHLVTSYGPRN-IBGZPJMESA-N 2 2 311.429 2.320 40 0 DEABLP c1ccc(COC[C@H]2C[NH2+]CC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000072354443 191128791 /nfs/dbraw/zinc/12/87/91/191128791.db2.gz NQTQHLVTSYGPRN-IBGZPJMESA-N 2 2 311.429 2.320 40 0 DEABLP CCn1c[nH+]cc1C[N@@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585275696 357342643 /nfs/dbraw/zinc/34/26/43/357342643.db2.gz DKOFUKMNWITZNC-GOSISDBHSA-N 2 2 315.417 2.227 40 0 DEABLP CCn1c[nH+]cc1C[N@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585275696 357342644 /nfs/dbraw/zinc/34/26/44/357342644.db2.gz DKOFUKMNWITZNC-GOSISDBHSA-N 2 2 315.417 2.227 40 0 DEABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322426 203047947 /nfs/dbraw/zinc/04/79/47/203047947.db2.gz WFXXKPGNVJNOLU-HNNXBMFYSA-N 2 2 313.401 2.489 40 0 DEABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322426 203047950 /nfs/dbraw/zinc/04/79/50/203047950.db2.gz WFXXKPGNVJNOLU-HNNXBMFYSA-N 2 2 313.401 2.489 40 0 DEABLP CC(C)[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096076215 402057240 /nfs/dbraw/zinc/05/72/40/402057240.db2.gz LGHQEYWOEZNENB-SFHVURJKSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096076215 402057241 /nfs/dbraw/zinc/05/72/41/402057241.db2.gz LGHQEYWOEZNENB-SFHVURJKSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000096076215 402057242 /nfs/dbraw/zinc/05/72/42/402057242.db2.gz LGHQEYWOEZNENB-SFHVURJKSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096076215 402057244 /nfs/dbraw/zinc/05/72/44/402057244.db2.gz LGHQEYWOEZNENB-SFHVURJKSA-N 2 2 303.450 2.404 40 0 DEABLP c1cncc(C[N@H+]2C[C@H]3OC[C@H](COc4cc[nH+]cc4)[C@H]3C2)c1 ZINC000096216575 402070685 /nfs/dbraw/zinc/07/06/85/402070685.db2.gz PRHJQSFYDUXFTH-CGTJXYLNSA-N 2 2 311.385 2.002 40 0 DEABLP c1cncc(C[N@@H+]2C[C@H]3OC[C@H](COc4cc[nH+]cc4)[C@H]3C2)c1 ZINC000096216575 402070688 /nfs/dbraw/zinc/07/06/88/402070688.db2.gz PRHJQSFYDUXFTH-CGTJXYLNSA-N 2 2 311.385 2.002 40 0 DEABLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000064875912 402121991 /nfs/dbraw/zinc/12/19/91/402121991.db2.gz AVCGXVICUKRUMA-INIZCTEOSA-N 2 2 306.450 2.019 40 0 DEABLP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000064875912 402121993 /nfs/dbraw/zinc/12/19/93/402121993.db2.gz AVCGXVICUKRUMA-INIZCTEOSA-N 2 2 306.450 2.019 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161478 402063897 /nfs/dbraw/zinc/06/38/97/402063897.db2.gz FUUPFFKGDUQVMQ-CALCHBBNSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3cccnc3)C[C@H]2C1 ZINC000096161478 402063900 /nfs/dbraw/zinc/06/39/00/402063900.db2.gz FUUPFFKGDUQVMQ-CALCHBBNSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161478 402063901 /nfs/dbraw/zinc/06/39/01/402063901.db2.gz FUUPFFKGDUQVMQ-CALCHBBNSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1 ZINC000096161478 402063903 /nfs/dbraw/zinc/06/39/03/402063903.db2.gz FUUPFFKGDUQVMQ-CALCHBBNSA-N 2 2 312.417 2.250 40 0 DEABLP COCC[NH+]1CCN(c2c(C)c[nH+]c3c(OC)cccc32)CC1 ZINC000302730164 403717045 /nfs/dbraw/zinc/71/70/45/403717045.db2.gz VJBHSEAFGLFJFN-UHFFFAOYSA-N 2 2 315.417 2.320 40 0 DEABLP C[C@@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc[nH+]1 ZINC000329023046 404205996 /nfs/dbraw/zinc/20/59/96/404205996.db2.gz ORFHOERUMUPGOZ-CQSZACIVSA-N 2 2 311.433 2.401 40 0 DEABLP CC(C)[C@H]([NH2+]C[C@@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087361 1078371571 /nfs/dbraw/zinc/37/15/71/1078371571.db2.gz KMUGKVDSUWVBCS-WMZOPIPTSA-N 2 2 316.449 2.306 40 0 DEABLP CC(C)[C@H]([NH2+]C[C@@]1(O)CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087361 1078371574 /nfs/dbraw/zinc/37/15/74/1078371574.db2.gz KMUGKVDSUWVBCS-WMZOPIPTSA-N 2 2 316.449 2.306 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072378811 191140929 /nfs/dbraw/zinc/14/09/29/191140929.db2.gz CFJNXADQYXTHRL-MRXNPFEDSA-N 2 2 313.405 2.287 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072378811 191140931 /nfs/dbraw/zinc/14/09/31/191140931.db2.gz CFJNXADQYXTHRL-MRXNPFEDSA-N 2 2 313.405 2.287 40 0 DEABLP Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)[nH+]1 ZINC000257317330 203040355 /nfs/dbraw/zinc/04/03/55/203040355.db2.gz VJIKCMKSAFWUTK-INIZCTEOSA-N 2 2 312.417 2.409 40 0 DEABLP CC[NH+]1CCN(C(=O)c2ccc(Cn3cc[nH+]c3C)cc2)CC1 ZINC000038859049 183012229 /nfs/dbraw/zinc/01/22/29/183012229.db2.gz LGHUNQQBZJEFFV-UHFFFAOYSA-N 2 2 312.417 2.018 40 0 DEABLP CC[NH+]1CCC([N@@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)CC1 ZINC000257214471 285187534 /nfs/dbraw/zinc/18/75/34/285187534.db2.gz CMCULFBEJVKGRQ-IBGZPJMESA-N 2 2 315.461 2.376 40 0 DEABLP CC[NH+]1CCC([N@H+]2CCN(C(C)=O)C[C@H]2c2ccccc2)CC1 ZINC000257214471 285187535 /nfs/dbraw/zinc/18/75/35/285187535.db2.gz CMCULFBEJVKGRQ-IBGZPJMESA-N 2 2 315.461 2.376 40 0 DEABLP C[N@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](CC1CC1)CC2 ZINC000096197092 402067368 /nfs/dbraw/zinc/06/73/68/402067368.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 2 2 314.433 2.376 40 0 DEABLP C[N@@H+](Cc1ccco1)Cc1cnc2n1CC[NH+](CC1CC1)CC2 ZINC000096197092 402067370 /nfs/dbraw/zinc/06/73/70/402067370.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 2 2 314.433 2.376 40 0 DEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@@H+](CC1CC1)CC2 ZINC000096197092 402067371 /nfs/dbraw/zinc/06/73/71/402067371.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 2 2 314.433 2.376 40 0 DEABLP C[NH+](Cc1ccco1)Cc1cnc2n1CC[N@H+](CC1CC1)CC2 ZINC000096197092 402067373 /nfs/dbraw/zinc/06/73/73/402067373.db2.gz UKLUHQRPBXSNRO-UHFFFAOYSA-N 2 2 314.433 2.376 40 0 DEABLP COc1ccccc1C[NH+]1CC2(C1)CC[C@@H](C[NH+](C)C)CO2 ZINC000248123786 402582728 /nfs/dbraw/zinc/58/27/28/402582728.db2.gz NWUHEFCDSMVOJT-HNNXBMFYSA-N 2 2 304.434 2.238 40 0 DEABLP Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000306125760 231084761 /nfs/dbraw/zinc/08/47/61/231084761.db2.gz DBLYURRGMXTQBI-CQSZACIVSA-N 2 2 305.451 2.157 40 0 DEABLP Cc1ncsc1C[N@H+]1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000306125760 231084764 /nfs/dbraw/zinc/08/47/64/231084764.db2.gz DBLYURRGMXTQBI-CQSZACIVSA-N 2 2 305.451 2.157 40 0 DEABLP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585274355 357341019 /nfs/dbraw/zinc/34/10/19/357341019.db2.gz JMKJUYCYSPBANX-QGZVFWFLSA-N 2 2 301.390 2.042 40 0 DEABLP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@](O)(COc2ccccc2C)C1 ZINC000585274355 357341022 /nfs/dbraw/zinc/34/10/22/357341022.db2.gz JMKJUYCYSPBANX-QGZVFWFLSA-N 2 2 301.390 2.042 40 0 DEABLP CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2Cc2[nH]c[nH+]c2C)nc1 ZINC000257282949 203010306 /nfs/dbraw/zinc/01/03/06/203010306.db2.gz OWAKBJQIRZLRTF-QGZVFWFLSA-N 2 2 313.405 2.086 40 0 DEABLP CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2[nH]c[nH+]c2C)nc1 ZINC000257282949 203010310 /nfs/dbraw/zinc/01/03/10/203010310.db2.gz OWAKBJQIRZLRTF-QGZVFWFLSA-N 2 2 313.405 2.086 40 0 DEABLP CC[NH+](CC)C[C@@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096188280 402066737 /nfs/dbraw/zinc/06/67/37/402066737.db2.gz BYZKJNCLRTUWFE-AWEZNQCLSA-N 2 2 319.478 2.313 40 0 DEABLP C[N@H+](Cc1cn2c(n1)C[NH+](CC1CC1)CC2)Cc1cccnc1 ZINC000096197490 402067498 /nfs/dbraw/zinc/06/74/98/402067498.db2.gz RXHLVFWKIRSLJK-UHFFFAOYSA-N 2 2 311.433 2.136 40 0 DEABLP C[N@@H+](Cc1cn2c(n1)C[NH+](CC1CC1)CC2)Cc1cccnc1 ZINC000096197490 402067499 /nfs/dbraw/zinc/06/74/99/402067499.db2.gz RXHLVFWKIRSLJK-UHFFFAOYSA-N 2 2 311.433 2.136 40 0 DEABLP C[NH+](Cc1cn2c(n1)C[N@@H+](CC1CC1)CC2)Cc1cccnc1 ZINC000096197490 402067500 /nfs/dbraw/zinc/06/75/00/402067500.db2.gz RXHLVFWKIRSLJK-UHFFFAOYSA-N 2 2 311.433 2.136 40 0 DEABLP C[NH+](Cc1cn2c(n1)C[N@H+](CC1CC1)CC2)Cc1cccnc1 ZINC000096197490 402067501 /nfs/dbraw/zinc/06/75/01/402067501.db2.gz RXHLVFWKIRSLJK-UHFFFAOYSA-N 2 2 311.433 2.136 40 0 DEABLP C[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096196784 402067613 /nfs/dbraw/zinc/06/76/13/402067613.db2.gz PPFONMNTACHXFD-UHFFFAOYSA-N 2 2 302.397 2.142 40 0 DEABLP C[NH+](C)Cc1cnc2n1CC[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096196784 402067616 /nfs/dbraw/zinc/06/76/16/402067616.db2.gz PPFONMNTACHXFD-UHFFFAOYSA-N 2 2 302.397 2.142 40 0 DEABLP CC(C)[N@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000247962405 402579656 /nfs/dbraw/zinc/57/96/56/402579656.db2.gz ABGWTURJQJRUOL-OAHLLOKOSA-N 2 2 318.446 2.069 40 0 DEABLP CC(C)[N@@H+]1Cc2c[nH+]cn2[C@@H](C(=O)NCCc2cccs2)C1 ZINC000247962405 402579657 /nfs/dbraw/zinc/57/96/57/402579657.db2.gz ABGWTURJQJRUOL-OAHLLOKOSA-N 2 2 318.446 2.069 40 0 DEABLP Cc1cccc(C[N@@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257282114 402711551 /nfs/dbraw/zinc/71/15/51/402711551.db2.gz OSJOBLGEXOBCGA-KRWDZBQOSA-N 2 2 312.417 2.201 40 0 DEABLP Cc1cccc(C[N@H+]2CCO[C@@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257282114 402711553 /nfs/dbraw/zinc/71/15/53/402711553.db2.gz OSJOBLGEXOBCGA-KRWDZBQOSA-N 2 2 312.417 2.201 40 0 DEABLP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000257224731 281536997 /nfs/dbraw/zinc/53/69/97/281536997.db2.gz FDBQGAHRIXPNPJ-INIZCTEOSA-N 2 2 312.417 2.009 40 0 DEABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccccn2)CC1 ZINC000096037002 402048267 /nfs/dbraw/zinc/04/82/67/402048267.db2.gz BTPPIJKINHSZGJ-UHFFFAOYSA-N 2 2 311.433 2.023 40 0 DEABLP CCc1[nH]c(C[N@@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000257266660 402710706 /nfs/dbraw/zinc/71/07/06/402710706.db2.gz MDYLUHHRHDQXOL-HZPDHXFCSA-N 2 2 319.380 2.044 40 0 DEABLP CCc1[nH]c(C[N@H+]2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)c(C)[nH+]1 ZINC000257266660 402710707 /nfs/dbraw/zinc/71/07/07/402710707.db2.gz MDYLUHHRHDQXOL-HZPDHXFCSA-N 2 2 319.380 2.044 40 0 DEABLP CCOC[C@H]1CCn2c[nH+]cc2C[N@@H+]1Cc1ccc(CO)cc1 ZINC000585097516 405865783 /nfs/dbraw/zinc/86/57/83/405865783.db2.gz MOSORZGLBLDPDX-QGZVFWFLSA-N 2 2 315.417 2.186 40 0 DEABLP CCOC[C@H]1CCn2c[nH+]cc2C[N@H+]1Cc1ccc(CO)cc1 ZINC000585097516 405865787 /nfs/dbraw/zinc/86/57/87/405865787.db2.gz MOSORZGLBLDPDX-QGZVFWFLSA-N 2 2 315.417 2.186 40 0 DEABLP Cc1cn(C)c([C@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257310081 203035258 /nfs/dbraw/zinc/03/52/58/203035258.db2.gz UDPWWSOPYBWJDA-HNNXBMFYSA-N 2 2 324.432 2.378 40 0 DEABLP Cc1cn(C)c([C@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257310081 203035262 /nfs/dbraw/zinc/03/52/62/203035262.db2.gz UDPWWSOPYBWJDA-HNNXBMFYSA-N 2 2 324.432 2.378 40 0 DEABLP C[C@@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923277 257214507 /nfs/dbraw/zinc/21/45/07/257214507.db2.gz PADNVIDOLHOIIB-BETUJISGSA-N 2 2 314.437 2.233 40 0 DEABLP c1nn(C2CC[NH2+]CC2)c2nc[nH+]c(NCc3ccccc3)c12 ZINC000228922961 257214537 /nfs/dbraw/zinc/21/45/37/257214537.db2.gz JJWSUEQKXOEXJK-UHFFFAOYSA-N 2 2 308.389 2.363 40 0 DEABLP CCC[N@H+]1Cc2nccn2C[C@H](C[NH+](C)Cc2ccco2)C1 ZINC000096067116 402055930 /nfs/dbraw/zinc/05/59/30/402055930.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[N@@H+]1Cc2nccn2C[C@H](C[NH+](C)Cc2ccco2)C1 ZINC000096067116 402055933 /nfs/dbraw/zinc/05/59/33/402055933.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[NH+]1Cc2nccn2C[C@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067116 402055935 /nfs/dbraw/zinc/05/59/35/402055935.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[NH+]1Cc2nccn2C[C@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000096067116 402055937 /nfs/dbraw/zinc/05/59/37/402055937.db2.gz RQKKRRAXLRNSJU-OAHLLOKOSA-N 2 2 302.422 2.450 40 0 DEABLP c1ccc(NCC[C@@H]2CCOC23C[NH+](C2CCOCC2)C3)[nH+]c1 ZINC000253596176 402669859 /nfs/dbraw/zinc/66/98/59/402669859.db2.gz OCEVGJWYDWDWKF-OAHLLOKOSA-N 2 2 317.433 2.154 40 0 DEABLP c1csc(CN2Cc3c[nH+]cn3[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000306123208 534521671 /nfs/dbraw/zinc/52/16/71/534521671.db2.gz AHGBYSSFCYHZAQ-OAHLLOKOSA-N 2 2 317.462 2.382 40 0 DEABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](Cc1cccnc1)C2 ZINC000585112878 357334985 /nfs/dbraw/zinc/33/49/85/357334985.db2.gz XRHOVHCBVDRIER-SFHVURJKSA-N 2 2 311.433 2.321 40 0 DEABLP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000585112878 357334990 /nfs/dbraw/zinc/33/49/90/357334990.db2.gz XRHOVHCBVDRIER-SFHVURJKSA-N 2 2 311.433 2.321 40 0 DEABLP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000026439432 401840518 /nfs/dbraw/zinc/84/05/18/401840518.db2.gz NFYDAMWQHAUDID-MRXNPFEDSA-N 2 2 307.482 2.338 40 0 DEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048593 402050862 /nfs/dbraw/zinc/05/08/62/402050862.db2.gz ZJFVQSFPQWTCHO-IRXDYDNUSA-N 2 2 305.422 2.106 40 0 DEABLP c1cn([C@@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048593 402050864 /nfs/dbraw/zinc/05/08/64/402050864.db2.gz ZJFVQSFPQWTCHO-IRXDYDNUSA-N 2 2 305.422 2.106 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000251983994 402652230 /nfs/dbraw/zinc/65/22/30/402652230.db2.gz GSXODXBUVBCPIB-WMZOPIPTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCOC3)C2)C1 ZINC000251983994 402652233 /nfs/dbraw/zinc/65/22/33/402652233.db2.gz GSXODXBUVBCPIB-WMZOPIPTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCOC3)C2)C1 ZINC000251983994 402652235 /nfs/dbraw/zinc/65/22/35/402652235.db2.gz GSXODXBUVBCPIB-WMZOPIPTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCOC3)C2)C1 ZINC000251983994 402652238 /nfs/dbraw/zinc/65/22/38/402652238.db2.gz GSXODXBUVBCPIB-WMZOPIPTSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1[nH+]c[nH]c1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585274354 357340760 /nfs/dbraw/zinc/34/07/60/357340760.db2.gz JMKJUYCYSPBANX-KRWDZBQOSA-N 2 2 301.390 2.042 40 0 DEABLP Cc1[nH+]c[nH]c1C[N@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585274354 357340769 /nfs/dbraw/zinc/34/07/69/357340769.db2.gz JMKJUYCYSPBANX-KRWDZBQOSA-N 2 2 301.390 2.042 40 0 DEABLP CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2Cc2[nH]c[nH+]c2C)nc1 ZINC000257282948 203009656 /nfs/dbraw/zinc/00/96/56/203009656.db2.gz OWAKBJQIRZLRTF-KRWDZBQOSA-N 2 2 313.405 2.086 40 0 DEABLP CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2[nH]c[nH+]c2C)nc1 ZINC000257282948 203009657 /nfs/dbraw/zinc/00/96/57/203009657.db2.gz OWAKBJQIRZLRTF-KRWDZBQOSA-N 2 2 313.405 2.086 40 0 DEABLP COc1cccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019565450 182130581 /nfs/dbraw/zinc/13/05/81/182130581.db2.gz QYABVKGZZGSPEL-SFHVURJKSA-N 2 2 324.428 2.468 40 0 DEABLP COc1cccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)c1 ZINC000019565450 182130584 /nfs/dbraw/zinc/13/05/84/182130584.db2.gz QYABVKGZZGSPEL-SFHVURJKSA-N 2 2 324.428 2.468 40 0 DEABLP C[C@@H]1Cc2ccccc2CN1c1cc[nH+]c(NCC[NH+](C)C)n1 ZINC000328983604 404190426 /nfs/dbraw/zinc/19/04/26/404190426.db2.gz HHGWRJLEONMODZ-CQSZACIVSA-N 2 2 311.433 2.401 40 0 DEABLP CC[NH+](CC)C[C@@H]1CN(Cc2cccc(C)n2)Cc2c[nH+]cn21 ZINC000306128096 279125833 /nfs/dbraw/zinc/12/58/33/279125833.db2.gz GPZCSECGYGIHLC-GOSISDBHSA-N 2 2 313.449 2.485 40 0 DEABLP C[C@H]1C[C@H](C)CN(c2[nH+]cnc3c2cnn3C2CC[NH2+]CC2)C1 ZINC000228923288 257214485 /nfs/dbraw/zinc/21/44/85/257214485.db2.gz PADNVIDOLHOIIB-STQMWFEESA-N 2 2 314.437 2.233 40 0 DEABLP Fc1cccc(C[N@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161708 402064376 /nfs/dbraw/zinc/06/43/76/402064376.db2.gz WDBOVLFGDAPXCF-ZACQAIPSSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161708 402064378 /nfs/dbraw/zinc/06/43/78/402064378.db2.gz WDBOVLFGDAPXCF-ZACQAIPSSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161708 402064380 /nfs/dbraw/zinc/06/43/80/402064380.db2.gz WDBOVLFGDAPXCF-ZACQAIPSSA-N 2 2 304.409 2.226 40 0 DEABLP Fc1cccc(C[NH+]2C[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]3C2)c1 ZINC000096161708 402064382 /nfs/dbraw/zinc/06/43/82/402064382.db2.gz WDBOVLFGDAPXCF-ZACQAIPSSA-N 2 2 304.409 2.226 40 0 DEABLP CC(C)[N@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000247962402 402579503 /nfs/dbraw/zinc/57/95/03/402579503.db2.gz ABGWTURJQJRUOL-HNNXBMFYSA-N 2 2 318.446 2.069 40 0 DEABLP CC(C)[N@@H+]1Cc2c[nH+]cn2[C@H](C(=O)NCCc2cccs2)C1 ZINC000247962402 402579505 /nfs/dbraw/zinc/57/95/05/402579505.db2.gz ABGWTURJQJRUOL-HNNXBMFYSA-N 2 2 318.446 2.069 40 0 DEABLP COc1ccccc1CN1Cc2c[nH+]cn2[C@@H](C[NH+](C)C)C1 ZINC000248079718 402582152 /nfs/dbraw/zinc/58/21/52/402582152.db2.gz CLPOVVYCRZUZIE-INIZCTEOSA-N 2 2 300.406 2.010 40 0 DEABLP Cc1ccc(CN2Cc3[nH+]ccn3C[C@H](C[NH+](C)C)C2)s1 ZINC000096059175 280823205 /nfs/dbraw/zinc/82/32/05/280823205.db2.gz RYRYPLFPCIKFSF-CQSZACIVSA-N 2 2 304.463 2.447 40 0 DEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257310082 203033674 /nfs/dbraw/zinc/03/36/74/203033674.db2.gz UDPWWSOPYBWJDA-OAHLLOKOSA-N 2 2 324.432 2.378 40 0 DEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257310082 203033678 /nfs/dbraw/zinc/03/36/78/203033678.db2.gz UDPWWSOPYBWJDA-OAHLLOKOSA-N 2 2 324.432 2.378 40 0 DEABLP C[C@]12C[N@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591739 402669894 /nfs/dbraw/zinc/66/98/94/402669894.db2.gz TWXVMGOZCGGXHQ-NSHGMRRFSA-N 2 2 321.424 2.321 40 0 DEABLP C[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591739 402669898 /nfs/dbraw/zinc/66/98/98/402669898.db2.gz TWXVMGOZCGGXHQ-NSHGMRRFSA-N 2 2 321.424 2.321 40 0 DEABLP COc1ccc(CN2Cc3[nH+]ccn3C[C@H](C[NH+](C)C)C2)cc1 ZINC000096188198 295132814 /nfs/dbraw/zinc/13/28/14/295132814.db2.gz ZAJPKOWINWUHAJ-MRXNPFEDSA-N 2 2 314.433 2.085 40 0 DEABLP CCN(C[C@@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411544 185169917 /nfs/dbraw/zinc/16/99/17/185169917.db2.gz YYCMWUITTXXRGJ-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP CCN(C[C@@H]1CCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411544 185169918 /nfs/dbraw/zinc/16/99/18/185169918.db2.gz YYCMWUITTXXRGJ-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP Cc1ncsc1CN1Cc2c[nH+]cn2[C@@H](CC[NH+](C)C)C1 ZINC000306141326 231090218 /nfs/dbraw/zinc/09/02/18/231090218.db2.gz VRZUEKCFYITWKY-ZDUSSCGKSA-N 2 2 305.451 2.157 40 0 DEABLP CC[NH+](CC)CCC[NH2+][C@H](C)C(=O)N1CCc2ccccc21 ZINC000004969449 181181145 /nfs/dbraw/zinc/18/11/45/181181145.db2.gz VPWUSGPSEIQECA-OAHLLOKOSA-N 2 2 303.450 2.286 40 0 DEABLP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1cccs1)CC2 ZINC000096260171 402075510 /nfs/dbraw/zinc/07/55/10/402075510.db2.gz CXPYWJOWWOZRLD-UHFFFAOYSA-N 2 2 320.462 2.039 40 0 DEABLP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cccs1)CC2 ZINC000096260171 402075511 /nfs/dbraw/zinc/07/55/11/402075511.db2.gz CXPYWJOWWOZRLD-UHFFFAOYSA-N 2 2 320.462 2.039 40 0 DEABLP Cc1c[nH]c([C@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000257238112 402706709 /nfs/dbraw/zinc/70/67/09/402706709.db2.gz HJQBSXZYDKVZQS-HNNXBMFYSA-N 2 2 304.438 2.300 40 0 DEABLP Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257253824 402708678 /nfs/dbraw/zinc/70/86/78/402708678.db2.gz KAKANTGVCFMQIB-CQSZACIVSA-N 2 2 310.405 2.367 40 0 DEABLP Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnn4c3nc(C)cc4C)C2)[nH+]1 ZINC000257253824 402708680 /nfs/dbraw/zinc/70/86/80/402708680.db2.gz KAKANTGVCFMQIB-CQSZACIVSA-N 2 2 310.405 2.367 40 0 DEABLP Cc1c[nH+]ccc1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333094040 268884207 /nfs/dbraw/zinc/88/42/07/268884207.db2.gz BKUOCSKDOFKWJX-UHFFFAOYSA-N 2 2 314.433 2.087 40 0 DEABLP CC[NH+](CC)C[C@H]1CN(Cc2cccc(C)n2)Cc2c[nH+]cn21 ZINC000306128097 528185566 /nfs/dbraw/zinc/18/55/66/528185566.db2.gz GPZCSECGYGIHLC-SFHVURJKSA-N 2 2 313.449 2.485 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072355432 191128494 /nfs/dbraw/zinc/12/84/94/191128494.db2.gz ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)n2)c[nH+]1 ZINC000072355432 191128497 /nfs/dbraw/zinc/12/84/97/191128497.db2.gz ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378621 191141497 /nfs/dbraw/zinc/14/14/97/191141497.db2.gz JKZJMSADDLYRTQ-INIZCTEOSA-N 2 2 306.373 2.394 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378621 191141498 /nfs/dbraw/zinc/14/14/98/191141498.db2.gz JKZJMSADDLYRTQ-INIZCTEOSA-N 2 2 306.373 2.394 40 0 DEABLP Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322427 203046852 /nfs/dbraw/zinc/04/68/52/203046852.db2.gz WFXXKPGNVJNOLU-OAHLLOKOSA-N 2 2 313.401 2.489 40 0 DEABLP Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)[nH+]1 ZINC000257322427 203046856 /nfs/dbraw/zinc/04/68/56/203046856.db2.gz WFXXKPGNVJNOLU-OAHLLOKOSA-N 2 2 313.401 2.489 40 0 DEABLP CC(C)C[N@@H+]1CCNC(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230172 402073486 /nfs/dbraw/zinc/07/34/86/402073486.db2.gz QDLZODGTKHEAIA-UHFFFAOYSA-N 2 2 315.461 2.109 40 0 DEABLP CC(C)C[N@H+]1CCNC(=O)C12CC[NH+](Cc1ccccc1)CC2 ZINC000096230172 402073488 /nfs/dbraw/zinc/07/34/88/402073488.db2.gz QDLZODGTKHEAIA-UHFFFAOYSA-N 2 2 315.461 2.109 40 0 DEABLP Cc1cc(CC2CCN(C(=O)C[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000257250047 402708214 /nfs/dbraw/zinc/70/82/14/402708214.db2.gz JKTPQLAQCQWRKB-UHFFFAOYSA-N 2 2 301.434 2.267 40 0 DEABLP CCCn1cc[nH+]c1CN1CCO[C@@H](c2cc(N)cc(C)[nH+]2)C1 ZINC000257325860 203049561 /nfs/dbraw/zinc/04/95/61/203049561.db2.gz WUTNAANZGPKVAJ-MRXNPFEDSA-N 2 2 315.421 2.152 40 0 DEABLP c1cc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)co1 ZINC000096062460 402055516 /nfs/dbraw/zinc/05/55/16/402055516.db2.gz FHDWMYPBNLYOLL-SFHVURJKSA-N 2 2 313.401 2.404 40 0 DEABLP c1cc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)co1 ZINC000096062460 402055520 /nfs/dbraw/zinc/05/55/20/402055520.db2.gz FHDWMYPBNLYOLL-SFHVURJKSA-N 2 2 313.401 2.404 40 0 DEABLP c1ccc(C[N@@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062475 402055803 /nfs/dbraw/zinc/05/58/03/402055803.db2.gz PGBYEVAWZHANCO-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(C[N@H+]2CCOC[C@@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062475 402055804 /nfs/dbraw/zinc/05/58/04/402055804.db2.gz PGBYEVAWZHANCO-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP CNc1cc(CC[C@@H]2C[N@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257254033 402708793 /nfs/dbraw/zinc/70/87/93/402708793.db2.gz KBHFKUOZESTZOY-CQSZACIVSA-N 2 2 318.446 2.413 40 0 DEABLP CNc1cc(CC[C@@H]2C[N@@H+](Cc3cncs3)CCO2)cc[nH+]1 ZINC000257254033 402708795 /nfs/dbraw/zinc/70/87/95/402708795.db2.gz KBHFKUOZESTZOY-CQSZACIVSA-N 2 2 318.446 2.413 40 0 DEABLP CC[NH+](CC)CC[C@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096350 405865719 /nfs/dbraw/zinc/86/57/19/405865719.db2.gz JTFWXMAZTUAESI-HNNXBMFYSA-N 2 2 304.438 2.298 40 0 DEABLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CCC[N@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087363 1078371654 /nfs/dbraw/zinc/37/16/54/1078371654.db2.gz KMUGKVDSUWVBCS-AEFFLSMTSA-N 2 2 316.449 2.306 40 0 DEABLP CC(C)[C@@H]([NH2+]C[C@@]1(O)CCC[N@@H+](C)C1)c1nc2ccccc2[nH]1 ZINC000046087363 1078371657 /nfs/dbraw/zinc/37/16/57/1078371657.db2.gz KMUGKVDSUWVBCS-AEFFLSMTSA-N 2 2 316.449 2.306 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355612 191130787 /nfs/dbraw/zinc/13/07/87/191130787.db2.gz XHBPQQXHKJCKOQ-OAHLLOKOSA-N 2 2 321.388 2.411 40 0 DEABLP c1ccc(CC[N@@H+]2CCn3c(nnc3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374071 191139864 /nfs/dbraw/zinc/13/98/64/191139864.db2.gz QSNLDYDBBJPWCU-MRXNPFEDSA-N 2 2 311.433 2.151 40 0 DEABLP c1ccc(CC[N@H+]2CCn3c(nnc3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374071 191139866 /nfs/dbraw/zinc/13/98/66/191139866.db2.gz QSNLDYDBBJPWCU-MRXNPFEDSA-N 2 2 311.433 2.151 40 0 DEABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555592 182130501 /nfs/dbraw/zinc/13/05/01/182130501.db2.gz BFDZZADJEUFZKY-HNNXBMFYSA-N 2 2 324.428 2.120 40 0 DEABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555592 182130503 /nfs/dbraw/zinc/13/05/03/182130503.db2.gz BFDZZADJEUFZKY-HNNXBMFYSA-N 2 2 324.428 2.120 40 0 DEABLP c1ccc(C[N@@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062474 402055564 /nfs/dbraw/zinc/05/55/64/402055564.db2.gz PGBYEVAWZHANCO-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(C[N@H+]2CCOC[C@]3(CCN(c4cccc[nH+]4)C3)C2)nc1 ZINC000096062474 402055566 /nfs/dbraw/zinc/05/55/66/402055566.db2.gz PGBYEVAWZHANCO-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP COc1ccccc1C[N@H+]1Cc2ccnn2[C@H](CC[NH+](C)C)C1 ZINC000248142234 402583642 /nfs/dbraw/zinc/58/36/42/402583642.db2.gz UMCAZAUJTNUHCD-QGZVFWFLSA-N 2 2 314.433 2.400 40 0 DEABLP 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/nfs/dbraw/zinc/58/22/87/402582287.db2.gz BSOBHEOLIISFLM-KRWDZBQOSA-N 2 2 314.433 2.400 40 0 DEABLP CC[NH+](CC)CC[C@@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248245271 402585181 /nfs/dbraw/zinc/58/51/81/402585181.db2.gz JFZAOVWWWHICJB-QGZVFWFLSA-N 3 2 320.481 2.398 40 0 DEABLP CC[NH+](CC)CC[C@@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248245271 402585182 /nfs/dbraw/zinc/58/51/82/402585182.db2.gz JFZAOVWWWHICJB-QGZVFWFLSA-N 3 2 320.481 2.398 40 0 DEABLP CN(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411515 185170055 /nfs/dbraw/zinc/17/00/55/185170055.db2.gz IUHUIKLEHJDNTC-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP CN(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411515 185170056 /nfs/dbraw/zinc/17/00/56/185170056.db2.gz IUHUIKLEHJDNTC-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP CC(C)N(C[C@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411657 185170090 /nfs/dbraw/zinc/17/00/90/185170090.db2.gz YXHGZVOUNXUVLO-QGZVFWFLSA-N 2 2 319.449 2.457 40 0 DEABLP 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402069402 /nfs/dbraw/zinc/06/94/02/402069402.db2.gz NUROAEONMCCNRD-HNNXBMFYSA-N 2 2 307.438 2.367 40 0 DEABLP COC[C@@H]1CCC2(CC[NH+](Cc3c(C)noc3C)CC2)[N@H+]1C ZINC000096208077 402069404 /nfs/dbraw/zinc/06/94/04/402069404.db2.gz NUROAEONMCCNRD-HNNXBMFYSA-N 2 2 307.438 2.367 40 0 DEABLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585275698 357342110 /nfs/dbraw/zinc/34/21/10/357342110.db2.gz DKOFUKMNWITZNC-SFHVURJKSA-N 2 2 315.417 2.227 40 0 DEABLP CCn1c[nH+]cc1C[N@H+]1CC[C@@](O)(COc2ccccc2C)C1 ZINC000585275698 357342114 /nfs/dbraw/zinc/34/21/14/357342114.db2.gz DKOFUKMNWITZNC-SFHVURJKSA-N 2 2 315.417 2.227 40 0 DEABLP Cc1cccc(C[N@@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257282115 203009867 /nfs/dbraw/zinc/00/98/67/203009867.db2.gz OSJOBLGEXOBCGA-QGZVFWFLSA-N 2 2 312.417 2.201 40 0 DEABLP Cc1cccc(C[N@H+]2CCO[C@H](CCc3cc[nH+]c(N)c3)C2)n1 ZINC000257282115 203009870 /nfs/dbraw/zinc/00/98/70/203009870.db2.gz OSJOBLGEXOBCGA-QGZVFWFLSA-N 2 2 312.417 2.201 40 0 DEABLP CC[N@@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000019527182 182128165 /nfs/dbraw/zinc/12/81/65/182128165.db2.gz ARUMENPLZYFSKN-KRWDZBQOSA-N 2 2 313.449 2.302 40 0 DEABLP CC[N@H+]1CCC[C@H]1CN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000019527182 182128166 /nfs/dbraw/zinc/12/81/66/182128166.db2.gz ARUMENPLZYFSKN-KRWDZBQOSA-N 2 2 313.449 2.302 40 0 DEABLP Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(C[NH+]2CCCCC2)C1 ZINC000096217422 402071589 /nfs/dbraw/zinc/07/15/89/402071589.db2.gz YKGIUSIFVDNIAY-WBVHZDCISA-N 2 2 321.490 2.386 40 0 DEABLP Cc1ncsc1C[N@H+]1C[C@@H]2COC[C@]2(C[NH+]2CCCCC2)C1 ZINC000096217422 402071590 /nfs/dbraw/zinc/07/15/90/402071590.db2.gz YKGIUSIFVDNIAY-WBVHZDCISA-N 2 2 321.490 2.386 40 0 DEABLP CCc1[nH]c(C[NH+]2CCC3(CC2)OCCC[C@H]3OC)c(C)[nH+]1 ZINC000257222416 402705205 /nfs/dbraw/zinc/70/52/05/402705205.db2.gz DTEYPLCUOFCMCJ-OAHLLOKOSA-N 2 2 307.438 2.441 40 0 DEABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2cccnc2)CC1 ZINC000096037003 281644830 /nfs/dbraw/zinc/64/48/30/281644830.db2.gz JNUBCGKPOSZTHJ-UHFFFAOYSA-N 2 2 311.433 2.023 40 0 DEABLP Cc1cccc(C[N@@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)n1 ZINC000306133358 231088465 /nfs/dbraw/zinc/08/84/65/231088465.db2.gz MJNPRSZRHIDFND-CGTJXYLNSA-N 2 2 324.428 2.344 40 0 DEABLP Cc1cccc(C[N@H+]2C[C@H]3OC[C@H](CNc4cccc[nH+]4)[C@H]3C2)n1 ZINC000306133358 231088467 /nfs/dbraw/zinc/08/84/67/231088467.db2.gz MJNPRSZRHIDFND-CGTJXYLNSA-N 2 2 324.428 2.344 40 0 DEABLP Cc1ccc(C[N@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)o1 ZINC000019216644 182108363 /nfs/dbraw/zinc/10/83/63/182108363.db2.gz ZONAZTWVHROLQJ-DLBZAZTESA-N 2 2 310.401 2.401 40 0 DEABLP Cc1ccc(C[N@@H+]2C[C@@H](c3cn(C)c4cnccc34)[C@H]([NH3+])C2)o1 ZINC000019216644 182108364 /nfs/dbraw/zinc/10/83/64/182108364.db2.gz ZONAZTWVHROLQJ-DLBZAZTESA-N 2 2 310.401 2.401 40 0 DEABLP [NH3+][C@@H](CC[NH2+]Cc1ccc(Cl)cc1)C(=O)N1CCCCC1 ZINC000013561228 401800580 /nfs/dbraw/zinc/80/05/80/401800580.db2.gz DNVZYSMOLXCOLY-HNNXBMFYSA-N 2 2 309.841 2.160 40 0 in-vivo DEABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccncc2)CC1 ZINC000096037004 402048293 /nfs/dbraw/zinc/04/82/93/402048293.db2.gz YADGJLWSAZJESM-UHFFFAOYSA-N 2 2 311.433 2.023 40 0 DEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096062479 402055765 /nfs/dbraw/zinc/05/57/65/402055765.db2.gz QXWAHKREBZECCC-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@H+](Cc2ccncc2)C3)[nH+]c1 ZINC000096062479 402055766 /nfs/dbraw/zinc/05/57/66/402055766.db2.gz QXWAHKREBZECCC-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP COCC[N@@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(C)s1)C2 ZINC000096062302 402055773 /nfs/dbraw/zinc/05/57/73/402055773.db2.gz UMWKBIWGWCILQO-KRWDZBQOSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[N@H+]1CC[C@@]2(C1)COCC[NH+](Cc1ccc(C)s1)C2 ZINC000096062302 402055774 /nfs/dbraw/zinc/05/57/74/402055774.db2.gz UMWKBIWGWCILQO-KRWDZBQOSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@H+](Cc1ccc(C)s1)C2 ZINC000096062302 402055776 /nfs/dbraw/zinc/05/57/76/402055776.db2.gz UMWKBIWGWCILQO-KRWDZBQOSA-N 2 2 324.490 2.227 40 0 DEABLP COCC[NH+]1CC[C@@]2(C1)COCC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096062302 402055778 /nfs/dbraw/zinc/05/57/78/402055778.db2.gz UMWKBIWGWCILQO-KRWDZBQOSA-N 2 2 324.490 2.227 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2OCC[NH+](CC3CC3)[C@H]2CC1 ZINC000252021621 402652454 /nfs/dbraw/zinc/65/24/54/402652454.db2.gz YWJTZULSFFEVBM-ROUUACIJSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2OCC[NH+](CC3CC3)[C@H]2CC1 ZINC000252021621 402652456 /nfs/dbraw/zinc/65/24/56/402652456.db2.gz YWJTZULSFFEVBM-ROUUACIJSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2OCC[N@H+](CC3CC3)[C@H]2CC1 ZINC000252021621 402652457 /nfs/dbraw/zinc/65/24/57/402652457.db2.gz YWJTZULSFFEVBM-ROUUACIJSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2OCC[N@@H+](CC3CC3)[C@H]2CC1 ZINC000252021621 402652458 /nfs/dbraw/zinc/65/24/58/402652458.db2.gz YWJTZULSFFEVBM-ROUUACIJSA-N 2 2 319.449 2.367 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2cncs2)n1 ZINC000257251873 402708707 /nfs/dbraw/zinc/70/87/07/402708707.db2.gz JSPVBOASRDSLIS-HNNXBMFYSA-N 2 2 303.435 2.332 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2cncs2)n1 ZINC000257251873 402708710 /nfs/dbraw/zinc/70/87/10/402708710.db2.gz JSPVBOASRDSLIS-HNNXBMFYSA-N 2 2 303.435 2.332 40 0 DEABLP CC(C)N(C[C@@H]1CC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411665 185170096 /nfs/dbraw/zinc/17/00/96/185170096.db2.gz KBLWOXYIKWOKFT-QGZVFWFLSA-N 2 2 319.449 2.314 40 0 DEABLP CC(C)N(C[C@@H]1CC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411665 185170097 /nfs/dbraw/zinc/17/00/97/185170097.db2.gz KBLWOXYIKWOKFT-QGZVFWFLSA-N 2 2 319.449 2.314 40 0 DEABLP Cc1ccc(C[N@@H+]2CCO[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)s1 ZINC000257297719 203024130 /nfs/dbraw/zinc/02/41/30/203024130.db2.gz RIOSJFNDARBXKY-OAHLLOKOSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@H+]2CCO[C@@H](c3ncc(C[NH+](C)C)[nH]3)C2)s1 ZINC000257297719 203024134 /nfs/dbraw/zinc/02/41/34/203024134.db2.gz RIOSJFNDARBXKY-OAHLLOKOSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@@H+]2CCO[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)s1 ZINC000257297719 203024138 /nfs/dbraw/zinc/02/41/38/203024138.db2.gz RIOSJFNDARBXKY-OAHLLOKOSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@H+]2CCO[C@@H](c3nc(C[NH+](C)C)c[nH]3)C2)s1 ZINC000257297719 203024142 /nfs/dbraw/zinc/02/41/42/203024142.db2.gz RIOSJFNDARBXKY-OAHLLOKOSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257317565 203039973 /nfs/dbraw/zinc/03/99/73/203039973.db2.gz VKHMLLMNVGOIKO-AWEZNQCLSA-N 2 2 323.404 2.073 40 0 DEABLP Cc1n[nH]cc1C[N@H+]1CCC[C@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257317565 203039976 /nfs/dbraw/zinc/03/99/76/203039976.db2.gz VKHMLLMNVGOIKO-AWEZNQCLSA-N 2 2 323.404 2.073 40 0 DEABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2nccs2)C1 ZINC000096188281 284735519 /nfs/dbraw/zinc/73/55/19/284735519.db2.gz BYZKJNCLRTUWFE-CQSZACIVSA-N 2 2 319.478 2.313 40 0 DEABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccco2)CC1 ZINC000096036992 402048387 /nfs/dbraw/zinc/04/83/87/402048387.db2.gz YQIBMYOEZHCJDC-UHFFFAOYSA-N 2 2 300.406 2.221 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062970 402055639 /nfs/dbraw/zinc/05/56/39/402055639.db2.gz JZBYUBQNIKTYPJ-QZTJIDSGSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062970 402055640 /nfs/dbraw/zinc/05/56/40/402055640.db2.gz JZBYUBQNIKTYPJ-QZTJIDSGSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062970 402055642 /nfs/dbraw/zinc/05/56/42/402055642.db2.gz JZBYUBQNIKTYPJ-QZTJIDSGSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)nc1 ZINC000096062970 402055644 /nfs/dbraw/zinc/05/56/44/402055644.db2.gz JZBYUBQNIKTYPJ-QZTJIDSGSA-N 2 2 301.434 2.158 40 0 DEABLP Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@@H](C[NH+](C)C)C1 ZINC000248130923 402583723 /nfs/dbraw/zinc/58/37/23/402583723.db2.gz QHXSDZFUGKXIJR-AWEZNQCLSA-N 2 2 304.463 2.447 40 0 DEABLP Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@@H](C[NH+](C)C)C1 ZINC000248130923 402583725 /nfs/dbraw/zinc/58/37/25/402583725.db2.gz QHXSDZFUGKXIJR-AWEZNQCLSA-N 2 2 304.463 2.447 40 0 DEABLP c1cc2n(n1)[C@H](CC[NH+]1CCCCC1)C[N@@H+](C1CCOCC1)C2 ZINC000253588467 402669237 /nfs/dbraw/zinc/66/92/37/402669237.db2.gz DPUXDYPNKSFAIF-GOSISDBHSA-N 2 2 318.465 2.295 40 0 DEABLP c1cc2n(n1)[C@H](CC[NH+]1CCCCC1)C[N@H+](C1CCOCC1)C2 ZINC000253588467 402669239 /nfs/dbraw/zinc/66/92/39/402669239.db2.gz DPUXDYPNKSFAIF-GOSISDBHSA-N 2 2 318.465 2.295 40 0 DEABLP c1ccc(NCC[C@H]2CCOC23C[NH+](C2CCOCC2)C3)[nH+]c1 ZINC000253596175 402669510 /nfs/dbraw/zinc/66/95/10/402669510.db2.gz OCEVGJWYDWDWKF-HNNXBMFYSA-N 2 2 317.433 2.154 40 0 DEABLP [NH3+]CC[N@@H+]1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391012 295233113 /nfs/dbraw/zinc/23/31/13/295233113.db2.gz UGTVLNRKHKRPJI-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP [NH3+]CC[N@H+]1CCC[C@H]1CN(C(=O)OCc1ccccc1)C1CC1 ZINC000079391012 295233115 /nfs/dbraw/zinc/23/31/15/295233115.db2.gz UGTVLNRKHKRPJI-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP CC[N@H+](CC[NH3+])C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391777 185168525 /nfs/dbraw/zinc/16/85/25/185168525.db2.gz MLAIDEXCSDRSAA-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP CC[N@@H+](CC[NH3+])C[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC000079391777 185168526 /nfs/dbraw/zinc/16/85/26/185168526.db2.gz MLAIDEXCSDRSAA-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP c1cn(-c2nccnc2[C@@H]2CCC[N@H+](C3CCOCC3)C2)c[nH+]1 ZINC000072350680 191128212 /nfs/dbraw/zinc/12/82/12/191128212.db2.gz YQPVETOZJFUQBO-CQSZACIVSA-N 2 2 313.405 2.021 40 0 DEABLP c1cn(-c2nccnc2[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c[nH+]1 ZINC000072350680 191128214 /nfs/dbraw/zinc/12/82/14/191128214.db2.gz YQPVETOZJFUQBO-CQSZACIVSA-N 2 2 313.405 2.021 40 0 DEABLP CO[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000284465465 218038619 /nfs/dbraw/zinc/03/86/19/218038619.db2.gz SGCHJPYFIZDILY-QGZVFWFLSA-N 2 2 312.417 2.295 40 0 DEABLP CO[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)c1ccccc1 ZINC000284465452 218038644 /nfs/dbraw/zinc/03/86/44/218038644.db2.gz SGCHJPYFIZDILY-KRWDZBQOSA-N 2 2 312.417 2.295 40 0 DEABLP O=C(NCCC[NH+]1CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000044913505 401950596 /nfs/dbraw/zinc/95/05/96/401950596.db2.gz ACJURXGIRAUKDC-UHFFFAOYSA-N 2 2 312.417 2.147 40 0 DEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096062477 402055734 /nfs/dbraw/zinc/05/57/34/402055734.db2.gz FLTOHDFFDHNZOV-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(N2CC[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096062477 402055738 /nfs/dbraw/zinc/05/57/38/402055738.db2.gz FLTOHDFFDHNZOV-LJQANCHMSA-N 2 2 324.428 2.206 40 0 DEABLP Fc1cccc(C[N@H+]2C[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064115 /nfs/dbraw/zinc/06/41/15/402064115.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 2 2 304.409 2.368 40 0 DEABLP Fc1cccc(C[N@@H+]2C[C@@H]3C[NH+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064118 /nfs/dbraw/zinc/06/41/18/402064118.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 2 2 304.409 2.368 40 0 DEABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064119 /nfs/dbraw/zinc/06/41/19/402064119.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 2 2 304.409 2.368 40 0 DEABLP Fc1cccc(C[NH+]2C[C@@H]3C[N@@H+](C4CCOCC4)C[C@@H]3C2)c1 ZINC000096161710 402064122 /nfs/dbraw/zinc/06/41/22/402064122.db2.gz OHBAZHFPOZUHPA-IYBDPMFKSA-N 2 2 304.409 2.368 40 0 DEABLP Cc1ccc(CN2Cc3[nH+]ccn3C[C@@H](C[NH+](C)C)C2)s1 ZINC000096059176 280822434 /nfs/dbraw/zinc/82/24/34/280822434.db2.gz RYRYPLFPCIKFSF-AWEZNQCLSA-N 2 2 304.463 2.447 40 0 DEABLP Cc1cc(CC2CCN(C(=O)C3([NH3+])CCCC3)CC2)cc[nH+]1 ZINC000257290443 203014714 /nfs/dbraw/zinc/01/47/14/203014714.db2.gz QCZCNBKLMMZYPL-UHFFFAOYSA-N 2 2 301.434 2.443 40 0 DEABLP Fc1cccc(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293900 182113726 /nfs/dbraw/zinc/11/37/26/182113726.db2.gz DZUZCDCWTAXGEM-CQSZACIVSA-N 2 2 312.392 2.251 40 0 DEABLP Fc1cccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293900 182113728 /nfs/dbraw/zinc/11/37/28/182113728.db2.gz DZUZCDCWTAXGEM-CQSZACIVSA-N 2 2 312.392 2.251 40 0 DEABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@H+](Cc1cccnc1)CC2 ZINC000096255932 402075237 /nfs/dbraw/zinc/07/52/37/402075237.db2.gz BLDQLTYUDMZHGB-UHFFFAOYSA-N 2 2 313.449 2.479 40 0 DEABLP CC(C)n1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1cccnc1)CC2 ZINC000096255932 402075241 /nfs/dbraw/zinc/07/52/41/402075241.db2.gz BLDQLTYUDMZHGB-UHFFFAOYSA-N 2 2 313.449 2.479 40 0 DEABLP Cc1cccc(N2CC[C@H]3[C@H]2CC[N@@H+]3CC2CCOCC2)[nH+]1 ZINC000096184436 281229702 /nfs/dbraw/zinc/22/97/02/281229702.db2.gz PBPHJZXWJFLJOW-DLBZAZTESA-N 2 2 301.434 2.470 40 0 DEABLP Cc1cccc(N2CC[C@H]3[C@H]2CC[N@H+]3CC2CCOCC2)[nH+]1 ZINC000096184436 281229705 /nfs/dbraw/zinc/22/97/05/281229705.db2.gz PBPHJZXWJFLJOW-DLBZAZTESA-N 2 2 301.434 2.470 40 0 DEABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccccc2F)CC1 ZINC000019288001 182112658 /nfs/dbraw/zinc/11/26/58/182112658.db2.gz WWURIBMAVPBOIL-UHFFFAOYSA-N 2 2 303.381 2.358 40 0 DEABLP C[NH+](C)CCCNc1[nH+]cnc2c1cnn2Cc1ccccc1 ZINC000033582328 401891331 /nfs/dbraw/zinc/89/13/31/401891331.db2.gz SQNSQTZFCTZSAT-UHFFFAOYSA-N 2 2 310.405 2.238 40 0 DEABLP CC[NH+](CC)C[C@H]1Cn2cc[nH+]c2CN(Cc2ccco2)C1 ZINC000096086775 402057787 /nfs/dbraw/zinc/05/77/87/402057787.db2.gz RQGOAXUXLLFFJV-OAHLLOKOSA-N 2 2 302.422 2.450 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[NH+](CC3CC3)[C@H]2CC1 ZINC000096249309 402074565 /nfs/dbraw/zinc/07/45/65/402074565.db2.gz YWJTZULSFFEVBM-ZWKOTPCHSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CC[C@H]2OCC[NH+](CC3CC3)[C@H]2CC1 ZINC000096249309 402074567 /nfs/dbraw/zinc/07/45/67/402074567.db2.gz YWJTZULSFFEVBM-ZWKOTPCHSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@H]2OCC[N@H+](CC3CC3)[C@H]2CC1 ZINC000096249309 402074570 /nfs/dbraw/zinc/07/45/70/402074570.db2.gz YWJTZULSFFEVBM-ZWKOTPCHSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@H]2OCC[N@@H+](CC3CC3)[C@H]2CC1 ZINC000096249309 402074574 /nfs/dbraw/zinc/07/45/74/402074574.db2.gz YWJTZULSFFEVBM-ZWKOTPCHSA-N 2 2 319.449 2.367 40 0 DEABLP CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)ccn2)CC1 ZINC000257257202 402709383 /nfs/dbraw/zinc/70/93/83/402709383.db2.gz KONCCMSVUMRTNG-QGZVFWFLSA-N 2 2 316.449 2.016 40 0 DEABLP CCC[NH+]1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)ccn2)CC1 ZINC000257257202 402709386 /nfs/dbraw/zinc/70/93/86/402709386.db2.gz KONCCMSVUMRTNG-QGZVFWFLSA-N 2 2 316.449 2.016 40 0 DEABLP CCOc1ccc2ccccc2c1C[NH2+]CC[NH2+]C[C@H](C)O ZINC000022076123 182308501 /nfs/dbraw/zinc/30/85/01/182308501.db2.gz OEOCENVLBMDJQG-AWEZNQCLSA-N 2 2 302.418 2.299 40 0 DEABLP OCC[NH2+]CC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000023468464 182361260 /nfs/dbraw/zinc/36/12/60/182361260.db2.gz KBSQMJYCBMAGQG-UHFFFAOYSA-N 2 2 318.392 2.076 40 0 DEABLP Cn1cc(C[NH+]2C[C@@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110650 402060549 /nfs/dbraw/zinc/06/05/49/402060549.db2.gz VKKQHANJDGATJF-IRXDYDNUSA-N 2 2 314.408 2.123 40 0 DEABLP Cc1ccsc1C[N@H+]1Cc2ccnn2C[C@H](C[NH+](C)C)C1 ZINC000248130930 402583169 /nfs/dbraw/zinc/58/31/69/402583169.db2.gz QHXSDZFUGKXIJR-CQSZACIVSA-N 2 2 304.463 2.447 40 0 DEABLP Cc1ccsc1C[N@@H+]1Cc2ccnn2C[C@H](C[NH+](C)C)C1 ZINC000248130930 402583173 /nfs/dbraw/zinc/58/31/73/402583173.db2.gz QHXSDZFUGKXIJR-CQSZACIVSA-N 2 2 304.463 2.447 40 0 DEABLP C[NH+]1CCC([N@@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257214799 402703906 /nfs/dbraw/zinc/70/39/06/402703906.db2.gz CNLPTLPVVCPWCI-ROUUACIJSA-N 2 2 322.424 2.124 40 0 DEABLP C[NH+]1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 ZINC000257214799 402703909 /nfs/dbraw/zinc/70/39/09/402703909.db2.gz CNLPTLPVVCPWCI-ROUUACIJSA-N 2 2 322.424 2.124 40 0 DEABLP CCOc1ccc2[nH]c(=O)c(C[NH2+]CC[NH+]3CCCC3)cc2c1 ZINC000023247892 182354433 /nfs/dbraw/zinc/35/44/33/182354433.db2.gz LBQONXVKPZWFIZ-UHFFFAOYSA-N 2 2 315.417 2.112 40 0 DEABLP Cc1cc(N2CCc3ccccc3C2)nc(NCC[NH+](C)C)[nH+]1 ZINC000244075188 402447022 /nfs/dbraw/zinc/44/70/22/402447022.db2.gz UBTCRACUYFYUAE-UHFFFAOYSA-N 2 2 311.433 2.321 40 0 DEABLP CC[N@@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000019527181 276371266 /nfs/dbraw/zinc/37/12/66/276371266.db2.gz ARUMENPLZYFSKN-QGZVFWFLSA-N 2 2 313.449 2.302 40 0 DEABLP CC[N@H+]1CCC[C@@H]1CN(Cc1[nH+]ccn1C)Cc1ccccn1 ZINC000019527181 276371267 /nfs/dbraw/zinc/37/12/67/276371267.db2.gz ARUMENPLZYFSKN-QGZVFWFLSA-N 2 2 313.449 2.302 40 0 DEABLP CN(C)c1cc([C@@H]2CCCN2C(=O)CCC[NH+](C)C)cc[nH+]1 ZINC000257223274 289108184 /nfs/dbraw/zinc/10/81/84/289108184.db2.gz DWPSKEIMRWFFNN-HNNXBMFYSA-N 2 2 304.438 2.153 40 0 DEABLP C[NH2+]Cc1cccc(C[NH+]2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000004277324 181091239 /nfs/dbraw/zinc/09/12/39/181091239.db2.gz VYJXRUKUWZBKEL-UHFFFAOYSA-N 2 2 319.449 2.459 40 0 DEABLP Cc1cnccc1C[N@H+]1C[C@@H](c2cn(C)c3cnccc23)[C@H]([NH3+])C1 ZINC000019239537 182111304 /nfs/dbraw/zinc/11/13/04/182111304.db2.gz IIYOWQQDJBGKNQ-ZWKOTPCHSA-N 2 2 321.428 2.203 40 0 DEABLP Cc1cnccc1C[N@@H+]1C[C@@H](c2cn(C)c3cnccc23)[C@H]([NH3+])C1 ZINC000019239537 182111307 /nfs/dbraw/zinc/11/13/07/182111307.db2.gz IIYOWQQDJBGKNQ-ZWKOTPCHSA-N 2 2 321.428 2.203 40 0 DEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048591 402050748 /nfs/dbraw/zinc/05/07/48/402050748.db2.gz ZJFVQSFPQWTCHO-DLBZAZTESA-N 2 2 305.422 2.106 40 0 DEABLP c1cn([C@@H]2CO[C@@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048591 402050752 /nfs/dbraw/zinc/05/07/52/402050752.db2.gz ZJFVQSFPQWTCHO-DLBZAZTESA-N 2 2 305.422 2.106 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158067 402063496 /nfs/dbraw/zinc/06/34/96/402063496.db2.gz FUUNYYHRVNTBNQ-PKOBYXMFSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158067 402063497 /nfs/dbraw/zinc/06/34/97/402063497.db2.gz FUUNYYHRVNTBNQ-PKOBYXMFSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158067 402063498 /nfs/dbraw/zinc/06/34/98/402063498.db2.gz FUUNYYHRVNTBNQ-PKOBYXMFSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158067 402063499 /nfs/dbraw/zinc/06/34/99/402063499.db2.gz FUUNYYHRVNTBNQ-PKOBYXMFSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@H]4CCOC4)C3)C2)nc1 ZINC000248084838 402582128 /nfs/dbraw/zinc/58/21/28/402582128.db2.gz JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+]([C@H]4CCOC4)C3)C2)nc1 ZINC000248084838 402582129 /nfs/dbraw/zinc/58/21/29/402582129.db2.gz JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000248084838 402582133 /nfs/dbraw/zinc/58/21/33/402582133.db2.gz JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 2 2 301.434 2.158 40 0 DEABLP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)nc1 ZINC000248084838 402582134 /nfs/dbraw/zinc/58/21/34/402582134.db2.gz JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 2 2 301.434 2.158 40 0 DEABLP CC[NH+](CC)C[C@@H]1CN(CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248253560 402585748 /nfs/dbraw/zinc/58/57/48/402585748.db2.gz NFRKXXNHQQMBIP-QGZVFWFLSA-N 2 2 306.454 2.008 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ncccc2F)n1 ZINC000257220124 402705157 /nfs/dbraw/zinc/70/51/57/402705157.db2.gz DJPXJYMMOADQME-KRWDZBQOSA-N 2 2 315.396 2.409 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2ncccc2F)n1 ZINC000257220124 402705158 /nfs/dbraw/zinc/70/51/58/402705158.db2.gz DJPXJYMMOADQME-KRWDZBQOSA-N 2 2 315.396 2.409 40 0 DEABLP CN(C)c1cc([C@@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc[nH+]1 ZINC000257247115 402708337 /nfs/dbraw/zinc/70/83/37/402708337.db2.gz IXNUWSGKRDOPPC-HNNXBMFYSA-N 2 2 313.405 2.098 40 0 DEABLP CC[NH+](CC)CC[C@@H]1CN(C(=O)C2CCC2)Cc2c[nH+]cn21 ZINC000585096351 405866486 /nfs/dbraw/zinc/86/64/86/405866486.db2.gz JTFWXMAZTUAESI-OAHLLOKOSA-N 2 2 304.438 2.298 40 0 DEABLP CCN(C[C@H]1CCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411552 276352954 /nfs/dbraw/zinc/35/29/54/276352954.db2.gz YYCMWUITTXXRGJ-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP CCN(C[C@H]1CCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411552 276352956 /nfs/dbraw/zinc/35/29/56/276352956.db2.gz YYCMWUITTXXRGJ-MRXNPFEDSA-N 2 2 305.422 2.068 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCC[NH+](CC3CC3)[C@@H]2CC1 ZINC000096249308 282384554 /nfs/dbraw/zinc/38/45/54/282384554.db2.gz YWJTZULSFFEVBM-QZTJIDSGSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CC[C@H]2OCC[NH+](CC3CC3)[C@@H]2CC1 ZINC000096249308 282384555 /nfs/dbraw/zinc/38/45/55/282384555.db2.gz YWJTZULSFFEVBM-QZTJIDSGSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@H]2OCC[N@H+](CC3CC3)[C@@H]2CC1 ZINC000096249308 282384556 /nfs/dbraw/zinc/38/45/56/282384556.db2.gz YWJTZULSFFEVBM-QZTJIDSGSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@H]2OCC[N@@H+](CC3CC3)[C@@H]2CC1 ZINC000096249308 282384557 /nfs/dbraw/zinc/38/45/57/282384557.db2.gz YWJTZULSFFEVBM-QZTJIDSGSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)[nH+]1 ZINC000257317331 203040886 /nfs/dbraw/zinc/04/08/86/203040886.db2.gz VJIKCMKSAFWUTK-MRXNPFEDSA-N 2 2 312.417 2.409 40 0 DEABLP Cc1ncsc1C[N@@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319823 203043286 /nfs/dbraw/zinc/04/32/86/203043286.db2.gz VUFBNSBHZYUTEW-AWEZNQCLSA-N 2 2 318.446 2.262 40 0 DEABLP Cc1ncsc1C[N@H+]1CCO[C@@H](CCc2cc[nH+]c(N)c2)C1 ZINC000257319823 203043291 /nfs/dbraw/zinc/04/32/91/203043291.db2.gz VUFBNSBHZYUTEW-AWEZNQCLSA-N 2 2 318.446 2.262 40 0 DEABLP Cc1[nH+]ccn1CC1(O)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019287970 182112863 /nfs/dbraw/zinc/11/28/63/182112863.db2.gz NSSMQTLJWJVIOW-UHFFFAOYSA-N 2 2 321.371 2.497 40 0 DEABLP COC[C@H]1CCC2(CC[NH+](Cc3c(C)noc3C)CC2)[N@@H+]1C ZINC000096208076 402069782 /nfs/dbraw/zinc/06/97/82/402069782.db2.gz NUROAEONMCCNRD-OAHLLOKOSA-N 2 2 307.438 2.367 40 0 DEABLP COC[C@H]1CCC2(CC[NH+](Cc3c(C)noc3C)CC2)[N@H+]1C ZINC000096208076 402069783 /nfs/dbraw/zinc/06/97/83/402069783.db2.gz NUROAEONMCCNRD-OAHLLOKOSA-N 2 2 307.438 2.367 40 0 DEABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+]([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068730 /nfs/dbraw/zinc/06/87/30/402068730.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+]([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068731 /nfs/dbraw/zinc/06/87/31/402068731.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+]([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068732 /nfs/dbraw/zinc/06/87/32/402068732.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+]([C@@H]2CCOC2)C3)c1 ZINC000096202182 402068733 /nfs/dbraw/zinc/06/87/33/402068733.db2.gz XGZSTFVDFDCHJZ-WBVHZDCISA-N 2 2 322.474 2.061 40 0 DEABLP Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@H](C[NH+]3CCCC3)C2)o1 ZINC000247901625 402577994 /nfs/dbraw/zinc/57/79/94/402577994.db2.gz IVZAHLZKYHATDR-OAHLLOKOSA-N 2 2 314.389 2.077 40 0 DEABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072379264 191141786 /nfs/dbraw/zinc/14/17/86/191141786.db2.gz MKVBDWYOLKLPTH-AWEZNQCLSA-N 2 2 313.405 2.013 40 0 DEABLP CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072379264 191141788 /nfs/dbraw/zinc/14/17/88/191141788.db2.gz MKVBDWYOLKLPTH-AWEZNQCLSA-N 2 2 313.405 2.013 40 0 DEABLP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[NH2+]CCO)cc1 ZINC000019365955 182119184 /nfs/dbraw/zinc/11/91/84/182119184.db2.gz FNQYSEMHLJQCMG-IBGZPJMESA-N 2 2 314.429 2.151 40 0 DEABLP Cn1cc[nH+]c1CN1CC2(C1)CC[N@H+](Cc1ccsc1)C2 ZINC000096070936 402056530 /nfs/dbraw/zinc/05/65/30/402056530.db2.gz XFDVZPSDVFJGCC-UHFFFAOYSA-N 2 2 302.447 2.190 40 0 DEABLP Cn1cc[nH+]c1CN1CC2(C1)CC[N@@H+](Cc1ccsc1)C2 ZINC000096070936 402056532 /nfs/dbraw/zinc/05/65/32/402056532.db2.gz XFDVZPSDVFJGCC-UHFFFAOYSA-N 2 2 302.447 2.190 40 0 DEABLP Cc1n[nH]cc1C[N@@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257317566 203040287 /nfs/dbraw/zinc/04/02/87/203040287.db2.gz VKHMLLMNVGOIKO-CQSZACIVSA-N 2 2 323.404 2.073 40 0 DEABLP Cc1n[nH]cc1C[N@H+]1CCC[C@@H](c2cncc(-n3cc[nH+]c3)n2)C1 ZINC000257317566 203040288 /nfs/dbraw/zinc/04/02/88/203040288.db2.gz VKHMLLMNVGOIKO-CQSZACIVSA-N 2 2 323.404 2.073 40 0 DEABLP CC[NH+](CC)CC(C[NH+](CC)CC)OC(=O)c1ccc(N)cc1 ZINC000001667344 401709923 /nfs/dbraw/zinc/70/99/23/401709923.db2.gz QFPTUFVRFWKVMP-UHFFFAOYSA-N 2 2 321.465 2.478 40 0 DEABLP CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000096219362 402071557 /nfs/dbraw/zinc/07/15/57/402071557.db2.gz VDFBRPWJUZCKEE-SJLPKXTDSA-N 2 2 303.450 2.180 40 0 DEABLP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3cccc(C)n3)C2)C1 ZINC000096219362 402071558 /nfs/dbraw/zinc/07/15/58/402071558.db2.gz VDFBRPWJUZCKEE-SJLPKXTDSA-N 2 2 303.450 2.180 40 0 DEABLP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3cccc(C)n3)C2)C1 ZINC000096219362 402071559 /nfs/dbraw/zinc/07/15/59/402071559.db2.gz VDFBRPWJUZCKEE-SJLPKXTDSA-N 2 2 303.450 2.180 40 0 DEABLP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3cccc(C)n3)C2)C1 ZINC000096219362 402071560 /nfs/dbraw/zinc/07/15/60/402071560.db2.gz VDFBRPWJUZCKEE-SJLPKXTDSA-N 2 2 303.450 2.180 40 0 DEABLP Cc1ccc(C(=O)N2Cc3c[nH+]cn3[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000247901619 402577972 /nfs/dbraw/zinc/57/79/72/402577972.db2.gz IVZAHLZKYHATDR-HNNXBMFYSA-N 2 2 314.389 2.077 40 0 DEABLP C[NH+](C)Cc1cnc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)[nH]1 ZINC000257303554 203028471 /nfs/dbraw/zinc/02/84/71/203028471.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1cnc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)[nH]1 ZINC000257303554 203028475 /nfs/dbraw/zinc/02/84/75/203028475.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000257303554 203028477 /nfs/dbraw/zinc/02/84/77/203028477.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1c[nH]c([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000257303554 203028481 /nfs/dbraw/zinc/02/84/81/203028481.db2.gz SHRNEUXEFOULEL-KRWDZBQOSA-N 2 2 314.433 2.087 40 0 DEABLP COc1ccccc1C1(O)CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000012143846 401779772 /nfs/dbraw/zinc/77/97/72/401779772.db2.gz DRLQEVHBTJMSLI-UHFFFAOYSA-N 2 2 315.417 2.221 40 0 DEABLP C[C@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022075041 401826523 /nfs/dbraw/zinc/82/65/23/401826523.db2.gz JKJGCSYBRISKNI-INIZCTEOSA-N 2 2 314.429 2.326 40 0 DEABLP COCC[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049459 277225812 /nfs/dbraw/zinc/22/58/12/277225812.db2.gz HVIAUEIJXVHUEE-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccsc3)C2)C1 ZINC000096049459 277225814 /nfs/dbraw/zinc/22/58/14/277225814.db2.gz HVIAUEIJXVHUEE-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccsc3)C2)C1 ZINC000096049459 277225816 /nfs/dbraw/zinc/22/58/16/277225816.db2.gz HVIAUEIJXVHUEE-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccsc3)C2)C1 ZINC000096049459 277225817 /nfs/dbraw/zinc/22/58/17/277225817.db2.gz HVIAUEIJXVHUEE-QGZVFWFLSA-N 2 2 324.490 2.309 40 0 DEABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](Cc1cccnc1)C2 ZINC000585112877 357335545 /nfs/dbraw/zinc/33/55/45/357335545.db2.gz XRHOVHCBVDRIER-GOSISDBHSA-N 2 2 311.433 2.321 40 0 DEABLP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](Cc1cccnc1)C2 ZINC000585112877 357335550 /nfs/dbraw/zinc/33/55/50/357335550.db2.gz XRHOVHCBVDRIER-GOSISDBHSA-N 2 2 311.433 2.321 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257292739 203017312 /nfs/dbraw/zinc/01/73/12/203017312.db2.gz QMTDDKDRFOPLSK-QGZVFWFLSA-N 2 2 315.396 2.409 40 0 DEABLP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257292739 203017316 /nfs/dbraw/zinc/01/73/16/203017316.db2.gz QMTDDKDRFOPLSK-QGZVFWFLSA-N 2 2 315.396 2.409 40 0 DEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048592 402051339 /nfs/dbraw/zinc/05/13/39/402051339.db2.gz ZJFVQSFPQWTCHO-SJORKVTESA-N 2 2 305.422 2.106 40 0 DEABLP c1cn([C@H]2CO[C@]3(C2)CCC[N@H+](CC2CCOCC2)C3)c[nH+]1 ZINC000096048592 402051340 /nfs/dbraw/zinc/05/13/40/402051340.db2.gz ZJFVQSFPQWTCHO-SJORKVTESA-N 2 2 305.422 2.106 40 0 DEABLP Cc1noc(C)c1C[N@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064028 /nfs/dbraw/zinc/06/40/28/402064028.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064030 /nfs/dbraw/zinc/06/40/30/402064030.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064032 /nfs/dbraw/zinc/06/40/32/402064032.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1noc(C)c1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]2C1 ZINC000096161568 402064033 /nfs/dbraw/zinc/06/40/33/402064033.db2.gz CKMRADMOARYKNR-IYBDPMFKSA-N 2 2 312.417 2.250 40 0 DEABLP Cc1cc(N(C)C)cc([C@H]2CN(c3cc[nH+]c(C)n3)CCO2)[nH+]1 ZINC000257250887 402709003 /nfs/dbraw/zinc/70/90/03/402709003.db2.gz JOLFOHIKPXRFNQ-MRXNPFEDSA-N 2 2 313.405 2.132 40 0 DEABLP CCN(CC1CC[NH+](CC[NH3+])CC1)C(=O)OCc1ccccc1 ZINC000079411633 185169988 /nfs/dbraw/zinc/16/99/88/185169988.db2.gz HFYNOAUBHKBJHA-UHFFFAOYSA-N 2 2 319.449 2.316 40 0 DEABLP CN(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411508 185170030 /nfs/dbraw/zinc/17/00/30/185170030.db2.gz IUHUIKLEHJDNTC-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP CN(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411508 185170031 /nfs/dbraw/zinc/17/00/31/185170031.db2.gz IUHUIKLEHJDNTC-INIZCTEOSA-N 2 2 305.422 2.068 40 0 DEABLP CC[NH+]1CCN(c2ccc(Nc3cc(NC)nc[nH+]3)cc2)CC1 ZINC000095917553 539433574 /nfs/dbraw/zinc/43/35/74/539433574.db2.gz DYLFXITZFJHFFJ-UHFFFAOYSA-N 2 2 312.421 2.404 40 0 DEABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000072390796 191148415 /nfs/dbraw/zinc/14/84/15/191148415.db2.gz QOIUNUGGCSTIRN-SFHVURJKSA-N 2 2 324.428 2.468 40 0 DEABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000072390796 191148418 /nfs/dbraw/zinc/14/84/18/191148418.db2.gz QOIUNUGGCSTIRN-SFHVURJKSA-N 2 2 324.428 2.468 40 0 DEABLP Cc1ccc(C[N@@H+]2CCO[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)s1 ZINC000257297718 203022565 /nfs/dbraw/zinc/02/25/65/203022565.db2.gz RIOSJFNDARBXKY-HNNXBMFYSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@H+]2CCO[C@H](c3ncc(C[NH+](C)C)[nH]3)C2)s1 ZINC000257297718 203022568 /nfs/dbraw/zinc/02/25/68/203022568.db2.gz RIOSJFNDARBXKY-HNNXBMFYSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@@H+]2CCO[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)s1 ZINC000257297718 203022572 /nfs/dbraw/zinc/02/25/72/203022572.db2.gz RIOSJFNDARBXKY-HNNXBMFYSA-N 2 2 320.462 2.415 40 0 DEABLP Cc1ccc(C[N@H+]2CCO[C@H](c3nc(C[NH+](C)C)c[nH]3)C2)s1 ZINC000257297718 203022574 /nfs/dbraw/zinc/02/25/74/203022574.db2.gz RIOSJFNDARBXKY-HNNXBMFYSA-N 2 2 320.462 2.415 40 0 DEABLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC2(CCC[NH2+]C2)CC1 ZINC000096268235 402076159 /nfs/dbraw/zinc/07/61/59/402076159.db2.gz UPCGVRHGTVENHW-UHFFFAOYSA-N 2 2 324.428 2.478 40 0 DEABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096161721 402063924 /nfs/dbraw/zinc/06/39/24/402063924.db2.gz QJSSLRWQKSCUJZ-KDURUIRLSA-N 2 2 310.445 2.292 40 0 DEABLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096161721 402063926 /nfs/dbraw/zinc/06/39/26/402063926.db2.gz QJSSLRWQKSCUJZ-KDURUIRLSA-N 2 2 310.445 2.292 40 0 DEABLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096161721 402063929 /nfs/dbraw/zinc/06/39/29/402063929.db2.gz QJSSLRWQKSCUJZ-KDURUIRLSA-N 2 2 310.445 2.292 40 0 DEABLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cnn(C)c4)C[C@@H]3C2)cc1 ZINC000096161721 402063931 /nfs/dbraw/zinc/06/39/31/402063931.db2.gz QJSSLRWQKSCUJZ-KDURUIRLSA-N 2 2 310.445 2.292 40 0 DEABLP c1csc(C[N@@H+]2CC[C@@]3(C2)COCC[NH+]([C@H]2CCOC2)C3)c1 ZINC000107220488 402228415 /nfs/dbraw/zinc/22/84/15/402228415.db2.gz XGZSTFVDFDCHJZ-RDJZCZTQSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[N@H+]2CC[C@@]3(C2)COCC[NH+]([C@H]2CCOC2)C3)c1 ZINC000107220488 402228417 /nfs/dbraw/zinc/22/84/17/402228417.db2.gz XGZSTFVDFDCHJZ-RDJZCZTQSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@@H+]([C@H]2CCOC2)C3)c1 ZINC000107220488 402228419 /nfs/dbraw/zinc/22/84/19/402228419.db2.gz XGZSTFVDFDCHJZ-RDJZCZTQSA-N 2 2 322.474 2.061 40 0 DEABLP c1csc(C[NH+]2CC[C@@]3(C2)COCC[N@H+]([C@H]2CCOC2)C3)c1 ZINC000107220488 402228421 /nfs/dbraw/zinc/22/84/21/402228421.db2.gz XGZSTFVDFDCHJZ-RDJZCZTQSA-N 2 2 322.474 2.061 40 0 DEABLP CN(C)c1cc([C@H]2CCCN2C(=O)CCn2cc[nH+]c2)cc[nH+]1 ZINC000257247116 402708200 /nfs/dbraw/zinc/70/82/00/402708200.db2.gz IXNUWSGKRDOPPC-OAHLLOKOSA-N 2 2 313.405 2.098 40 0 DEABLP Cc1ncsc1C[N@@H+]1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000306125759 403950912 /nfs/dbraw/zinc/95/09/12/403950912.db2.gz DBLYURRGMXTQBI-AWEZNQCLSA-N 2 2 305.451 2.157 40 0 DEABLP Cc1ncsc1C[N@H+]1Cc2ccnn2[C@@H](CC[NH+](C)C)C1 ZINC000306125759 403950916 /nfs/dbraw/zinc/95/09/16/403950916.db2.gz DBLYURRGMXTQBI-AWEZNQCLSA-N 2 2 305.451 2.157 40 0 DEABLP CCOC(=O)c1c[nH+]c2c(C)ccc(F)c2c1N1CC[NH2+]CC1 ZINC000064874856 276301973 /nfs/dbraw/zinc/30/19/73/276301973.db2.gz WJBRNSRPTDDVIC-UHFFFAOYSA-N 2 2 317.364 2.269 40 0 DEABLP [NH3+]CC[N@H+](C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391856 185168279 /nfs/dbraw/zinc/16/82/79/185168279.db2.gz PUPAJMCYMFHFKD-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP [NH3+]CC[N@@H+](C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391856 185168280 /nfs/dbraw/zinc/16/82/80/185168280.db2.gz PUPAJMCYMFHFKD-KRWDZBQOSA-N 2 2 317.433 2.211 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)c[nH+]1 ZINC000072378634 191141265 /nfs/dbraw/zinc/14/12/65/191141265.db2.gz ZDZRIIBZNBPGBL-MRXNPFEDSA-N 2 2 306.373 2.394 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3Cc3cccnc3)n2)c[nH+]1 ZINC000072378634 191141266 /nfs/dbraw/zinc/14/12/66/191141266.db2.gz ZDZRIIBZNBPGBL-MRXNPFEDSA-N 2 2 306.373 2.394 40 0 DEABLP C[NH+](C)Cc1cnc([C@H]2C[N@H+](CCc3ccccc3)CCO2)[nH]1 ZINC000257303555 203027710 /nfs/dbraw/zinc/02/77/10/203027710.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1cnc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)[nH]1 ZINC000257303555 203027715 /nfs/dbraw/zinc/02/77/15/203027715.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@H+](CCc3ccccc3)CCO2)n1 ZINC000257303555 203027718 /nfs/dbraw/zinc/02/77/18/203027718.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 2 2 314.433 2.087 40 0 DEABLP C[NH+](C)Cc1c[nH]c([C@H]2C[N@@H+](CCc3ccccc3)CCO2)n1 ZINC000257303555 203027722 /nfs/dbraw/zinc/02/77/22/203027722.db2.gz SHRNEUXEFOULEL-QGZVFWFLSA-N 2 2 314.433 2.087 40 0 DEABLP c1ccc2c(c1)C[N@@H+](C[C@H]1CCC[NH2+]1)CC1(CCOCC1)O2 ZINC000072334285 401709177 /nfs/dbraw/zinc/70/91/77/401709177.db2.gz IDCNGZSUHWVPJZ-MRXNPFEDSA-N 2 2 302.418 2.182 40 0 DEABLP c1ccc2c(c1)C[N@H+](C[C@H]1CCC[NH2+]1)CC1(CCOCC1)O2 ZINC000072334285 401709181 /nfs/dbraw/zinc/70/91/81/401709181.db2.gz IDCNGZSUHWVPJZ-MRXNPFEDSA-N 2 2 302.418 2.182 40 0 DEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000022075039 401826187 /nfs/dbraw/zinc/82/61/87/401826187.db2.gz JKJGCSYBRISKNI-MRXNPFEDSA-N 2 2 314.429 2.326 40 0 DEABLP CCOC(=O)c1c[nH+]c2ccc(CC)cc2c1N1CC[NH2+]CC1 ZINC000062719742 402110254 /nfs/dbraw/zinc/11/02/54/402110254.db2.gz XICSOVKUHPIZDG-UHFFFAOYSA-N 2 2 313.401 2.384 40 0 DEABLP c1csc(CN2Cc3c[nH+]cn3[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000306123207 534522110 /nfs/dbraw/zinc/52/21/10/534522110.db2.gz AHGBYSSFCYHZAQ-HNNXBMFYSA-N 2 2 317.462 2.382 40 0 DEABLP COCC[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049456 402050910 /nfs/dbraw/zinc/05/09/10/402050910.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3cccs3)C2)C1 ZINC000096049456 402050913 /nfs/dbraw/zinc/05/09/13/402050913.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1 ZINC000096049456 402050916 /nfs/dbraw/zinc/05/09/16/402050916.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 2 2 324.490 2.309 40 0 DEABLP COCC[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000096049456 402050918 /nfs/dbraw/zinc/05/09/18/402050918.db2.gz SSJAKBHHDFLBNL-KRWDZBQOSA-N 2 2 324.490 2.309 40 0 DEABLP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)[C@H]2C ZINC000096201201 402068133 /nfs/dbraw/zinc/06/81/33/402068133.db2.gz DKARPMWNLWXCEO-AWEZNQCLSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](Cc1cnn(C)c1)[C@H]2C ZINC000096201201 402068135 /nfs/dbraw/zinc/06/81/35/402068135.db2.gz DKARPMWNLWXCEO-AWEZNQCLSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096201201 402068137 /nfs/dbraw/zinc/06/81/37/402068137.db2.gz DKARPMWNLWXCEO-AWEZNQCLSA-N 2 2 316.453 2.034 40 0 DEABLP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](Cc1cnn(C)c1)[C@H]2C ZINC000096201201 402068139 /nfs/dbraw/zinc/06/81/39/402068139.db2.gz DKARPMWNLWXCEO-AWEZNQCLSA-N 2 2 316.453 2.034 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CC[C@@H]2[C@H](CC1)OCC[NH+]2CC1CC1 ZINC000107254942 402228756 /nfs/dbraw/zinc/22/87/56/402228756.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CC1)OCC[NH+]2CC1CC1 ZINC000107254942 402228758 /nfs/dbraw/zinc/22/87/58/402228758.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CC1)OCC[N@@H+]2CC1CC1 ZINC000107254942 402228761 /nfs/dbraw/zinc/22/87/61/402228761.db2.gz YWJTZULSFFEVBM-MSOLQXFVSA-N 2 2 319.449 2.367 40 0 DEABLP Cc1c[nH]c([C@@H]2CCCN(C(=O)C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000257238113 402706800 /nfs/dbraw/zinc/70/68/00/402706800.db2.gz HJQBSXZYDKVZQS-OAHLLOKOSA-N 2 2 304.438 2.300 40 0 DEABLP C[N@@H+]1CCC[C@@H](Cc2cccc(N3CCC(O)CC3)[nH+]2)CC1 ZINC000257269743 402711609 /nfs/dbraw/zinc/71/16/09/402711609.db2.gz MRFAEMVRPDYHOG-OAHLLOKOSA-N 2 2 303.450 2.317 40 0 DEABLP C[N@H+]1CCC[C@@H](Cc2cccc(N3CCC(O)CC3)[nH+]2)CC1 ZINC000257269743 402711610 /nfs/dbraw/zinc/71/16/10/402711610.db2.gz MRFAEMVRPDYHOG-OAHLLOKOSA-N 2 2 303.450 2.317 40 0 DEABLP CCN(C[C@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411598 185169907 /nfs/dbraw/zinc/16/99/07/185169907.db2.gz NLFTXXIJXZJDHL-QGZVFWFLSA-N 2 2 319.449 2.458 40 0 DEABLP CCN(C[C@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411598 185169908 /nfs/dbraw/zinc/16/99/08/185169908.db2.gz NLFTXXIJXZJDHL-QGZVFWFLSA-N 2 2 319.449 2.458 40 0 DEABLP CCN(C[C@@H]1CCCC[N@@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411591 185170065 /nfs/dbraw/zinc/17/00/65/185170065.db2.gz NLFTXXIJXZJDHL-KRWDZBQOSA-N 2 2 319.449 2.458 40 0 DEABLP CCN(C[C@@H]1CCCC[N@H+]1CC[NH3+])C(=O)OCc1ccccc1 ZINC000079411591 185170066 /nfs/dbraw/zinc/17/00/66/185170066.db2.gz NLFTXXIJXZJDHL-KRWDZBQOSA-N 2 2 319.449 2.458 40 0 DEABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]23)[nH+]c1 ZINC000306137724 231089270 /nfs/dbraw/zinc/08/92/70/231089270.db2.gz RECDCIVPPPOLRI-BRWVUGGUSA-N 2 2 310.401 2.036 40 0 DEABLP c1ccc(NC[C@@H]2CO[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]23)[nH+]c1 ZINC000306137724 231089273 /nfs/dbraw/zinc/08/92/73/231089273.db2.gz RECDCIVPPPOLRI-BRWVUGGUSA-N 2 2 310.401 2.036 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2c2cc[nH+]c(C)n2)n1 ZINC000072355613 282200173 /nfs/dbraw/zinc/20/01/73/282200173.db2.gz XHBPQQXHKJCKOQ-HNNXBMFYSA-N 2 2 321.388 2.411 40 0 DEABLP c1ccc(CC[N@@H+]2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374070 191138846 /nfs/dbraw/zinc/13/88/46/191138846.db2.gz QSNLDYDBBJPWCU-INIZCTEOSA-N 2 2 311.433 2.151 40 0 DEABLP c1ccc(CC[N@H+]2CCn3c(nnc3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000072374070 191138848 /nfs/dbraw/zinc/13/88/48/191138848.db2.gz QSNLDYDBBJPWCU-INIZCTEOSA-N 2 2 311.433 2.151 40 0 DEABLP Cn1cc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096054165 402052459 /nfs/dbraw/zinc/05/24/59/402052459.db2.gz XIZXAZKUEWJHDS-SJORKVTESA-N 2 2 316.474 2.436 40 0 DEABLP Cn1cc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096054165 402052460 /nfs/dbraw/zinc/05/24/60/402052460.db2.gz XIZXAZKUEWJHDS-SJORKVTESA-N 2 2 316.474 2.436 40 0 DEABLP Cn1cc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096054165 402052461 /nfs/dbraw/zinc/05/24/61/402052461.db2.gz XIZXAZKUEWJHDS-SJORKVTESA-N 2 2 316.474 2.436 40 0 DEABLP Cn1cc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccsc4)C[C@@H]3C2)cn1 ZINC000096054165 402052462 /nfs/dbraw/zinc/05/24/62/402052462.db2.gz XIZXAZKUEWJHDS-SJORKVTESA-N 2 2 316.474 2.436 40 0 DEABLP Cn1nc(C[NH+](C)C)c2c1C[N@H+](Cc1ccc(F)cc1)CC2 ZINC000096084163 402057679 /nfs/dbraw/zinc/05/76/79/402057679.db2.gz CQHICTYOUOSZHE-UHFFFAOYSA-N 2 2 302.397 2.179 40 0 DEABLP Cn1nc(C[NH+](C)C)c2c1C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC000096084163 402057682 /nfs/dbraw/zinc/05/76/82/402057682.db2.gz CQHICTYOUOSZHE-UHFFFAOYSA-N 2 2 302.397 2.179 40 0 DEABLP CCOC(=O)c1c[nH+]c2c(CC)cccc2c1N1CC[NH2+]CC1 ZINC000064874814 402121935 /nfs/dbraw/zinc/12/19/35/402121935.db2.gz KCBSWYKENNSKPU-UHFFFAOYSA-N 2 2 313.401 2.384 40 0 DEABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1 ZINC000257278471 402711626 /nfs/dbraw/zinc/71/16/26/402711626.db2.gz OCKIBBVBITXEMO-IAGOWNOFSA-N 2 2 316.449 2.139 40 0 DEABLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2CC1CC1 ZINC000257278471 402711628 /nfs/dbraw/zinc/71/16/28/402711628.db2.gz OCKIBBVBITXEMO-IAGOWNOFSA-N 2 2 316.449 2.139 40 0 DEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@H]1c1cc[nH+]c(NC)c1 ZINC000257333791 402712376 /nfs/dbraw/zinc/71/23/76/402712376.db2.gz YDAZOOLQVGTSIR-AWEZNQCLSA-N 2 2 313.405 2.246 40 0 DEABLP COc1ccc(C[N@@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000072390797 191147986 /nfs/dbraw/zinc/14/79/86/191147986.db2.gz QOIUNUGGCSTIRN-GOSISDBHSA-N 2 2 324.428 2.468 40 0 DEABLP COc1ccc(C[N@H+]2CCc3nc([C@H]4CCC[NH2+]4)ncc3C2)cc1 ZINC000072390797 191147987 /nfs/dbraw/zinc/14/79/87/191147987.db2.gz QOIUNUGGCSTIRN-GOSISDBHSA-N 2 2 324.428 2.468 40 0 DEABLP Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CC[NH+]3CCCC3)[C@H]2O)c1 ZINC000585288886 357345041 /nfs/dbraw/zinc/34/50/41/357345041.db2.gz KWZSXAZWRUGTMJ-IPMKNSEASA-N 2 2 318.461 2.341 40 0 DEABLP COc1ccc(C[N@@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555589 182130485 /nfs/dbraw/zinc/13/04/85/182130485.db2.gz BFDZZADJEUFZKY-OAHLLOKOSA-N 2 2 324.428 2.120 40 0 DEABLP COc1ccc(C[N@H+]2CCc3nc([C@@H]4CC[NH2+]C4)ncc3C2)cc1 ZINC000019555589 182130487 /nfs/dbraw/zinc/13/04/87/182130487.db2.gz BFDZZADJEUFZKY-OAHLLOKOSA-N 2 2 324.428 2.120 40 0 DEABLP COc1ccc2nc(NC(C[NH+](C)C)C[NH+](C)C)ccc2c1 ZINC000001596766 401709097 /nfs/dbraw/zinc/70/90/97/401709097.db2.gz WHDHZNZIZJZPMF-UHFFFAOYSA-N 2 2 302.422 2.147 40 0 DEABLP c1cc(C[N@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)co1 ZINC000096057921 402053532 /nfs/dbraw/zinc/05/35/32/402053532.db2.gz XWRCJFTVSNUEPF-RCCFBDPRSA-N 2 2 320.433 2.124 40 0 DEABLP c1cc(C[N@@H+]2CCO[C@H]3[C@H](OCC[NH+]4CCCC4)CC[C@@H]32)co1 ZINC000096057921 402053534 /nfs/dbraw/zinc/05/35/34/402053534.db2.gz XWRCJFTVSNUEPF-RCCFBDPRSA-N 2 2 320.433 2.124 40 0 DEABLP CC(C)COC[C@@H]1CN(CC[NH+]2CCCC2)Cc2[nH+]cn(C)c21 ZINC000096068633 402056267 /nfs/dbraw/zinc/05/62/67/402056267.db2.gz XUYOIFBULZRDLY-INIZCTEOSA-N 2 2 320.481 2.088 40 0 DEABLP CC[NH+](CC)CC[C@H]1C[N@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248245269 402585404 /nfs/dbraw/zinc/58/54/04/402585404.db2.gz JFZAOVWWWHICJB-KRWDZBQOSA-N 3 2 320.481 2.398 40 0 DEABLP CC[NH+](CC)CC[C@H]1C[N@@H+](CC2CCOCC2)Cc2c[nH+]cn21 ZINC000248245269 402585406 /nfs/dbraw/zinc/58/54/06/402585406.db2.gz JFZAOVWWWHICJB-KRWDZBQOSA-N 3 2 320.481 2.398 40 0 DEABLP CCc1[nH+]ccn1CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000257224732 402705624 /nfs/dbraw/zinc/70/56/24/402705624.db2.gz FDBQGAHRIXPNPJ-MRXNPFEDSA-N 2 2 312.417 2.009 40 0 DEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@@H+](CC1CCOCC1)C2 ZINC000096059413 402054409 /nfs/dbraw/zinc/05/44/09/402054409.db2.gz PJYXLYZVDSVIKU-UHFFFAOYSA-N 2 2 318.465 2.111 40 0 DEABLP c1c(C[NH+]2CCCCC2)nc2n1CC[N@H+](CC1CCOCC1)C2 ZINC000096059413 402054411 /nfs/dbraw/zinc/05/44/11/402054411.db2.gz PJYXLYZVDSVIKU-UHFFFAOYSA-N 2 2 318.465 2.111 40 0 DEABLP c1ccc(N2CC[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096062476 402055955 /nfs/dbraw/zinc/05/59/55/402055955.db2.gz FLTOHDFFDHNZOV-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP c1ccc(N2CC[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]c1 ZINC000096062476 402055958 /nfs/dbraw/zinc/05/59/58/402055958.db2.gz FLTOHDFFDHNZOV-IBGZPJMESA-N 2 2 324.428 2.206 40 0 DEABLP CC(C)[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096076216 402057057 /nfs/dbraw/zinc/05/70/57/402057057.db2.gz LGHQEYWOEZNENB-GOSISDBHSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1 ZINC000096076216 402057059 /nfs/dbraw/zinc/05/70/59/402057059.db2.gz LGHQEYWOEZNENB-GOSISDBHSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1 ZINC000096076216 402057060 /nfs/dbraw/zinc/05/70/60/402057060.db2.gz LGHQEYWOEZNENB-GOSISDBHSA-N 2 2 303.450 2.404 40 0 DEABLP CC(C)[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096076216 402057062 /nfs/dbraw/zinc/05/70/62/402057062.db2.gz LGHQEYWOEZNENB-GOSISDBHSA-N 2 2 303.450 2.404 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378620 191140447 /nfs/dbraw/zinc/14/04/47/191140447.db2.gz JKZJMSADDLYRTQ-MRXNPFEDSA-N 2 2 306.373 2.394 40 0 DEABLP c1cn(-c2cncc([C@H]3CCC[N@@H+]3Cc3ccccn3)n2)c[nH+]1 ZINC000072378620 191140450 /nfs/dbraw/zinc/14/04/50/191140450.db2.gz JKZJMSADDLYRTQ-MRXNPFEDSA-N 2 2 306.373 2.394 40 0 DEABLP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110648 402060440 /nfs/dbraw/zinc/06/04/40/402060440.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 2 2 314.408 2.123 40 0 DEABLP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110648 402060442 /nfs/dbraw/zinc/06/04/42/402060442.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 2 2 314.408 2.123 40 0 DEABLP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110648 402060443 /nfs/dbraw/zinc/06/04/43/402060443.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 2 2 314.408 2.123 40 0 DEABLP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4cccc(F)c4)C[C@H]3C2)cn1 ZINC000096110648 402060446 /nfs/dbraw/zinc/06/04/46/402060446.db2.gz VKKQHANJDGATJF-CALCHBBNSA-N 2 2 314.408 2.123 40 0 DEABLP CC[N@@H+]1CCN(C)C(=O)C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000096230253 402073237 /nfs/dbraw/zinc/07/32/37/402073237.db2.gz VFUAGJZKNLPVOW-UHFFFAOYSA-N 2 2 315.461 2.124 40 0 DEABLP CC[N@H+]1CCN(C)C(=O)C12CC[NH+](Cc1cccc(C)c1)CC2 ZINC000096230253 402073240 /nfs/dbraw/zinc/07/32/40/402073240.db2.gz VFUAGJZKNLPVOW-UHFFFAOYSA-N 2 2 315.461 2.124 40 0 DEABLP c1cnn(Cc2c[nH+]c3n2CC[N@@H+](Cc2cccs2)CC3)c1 ZINC000096196931 402067589 /nfs/dbraw/zinc/06/75/89/402067589.db2.gz SPSAMEYVYALYCU-UHFFFAOYSA-N 2 2 313.430 2.248 40 0 DEABLP c1cnn(Cc2c[nH+]c3n2CC[N@H+](Cc2cccs2)CC3)c1 ZINC000096196931 402067590 /nfs/dbraw/zinc/06/75/90/402067590.db2.gz SPSAMEYVYALYCU-UHFFFAOYSA-N 2 2 313.430 2.248 40 0 DEABLP CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2Cc2[nH]c[nH+]c2C)n1 ZINC000257209204 402702924 /nfs/dbraw/zinc/70/29/24/402702924.db2.gz BPJRKMFCTNROPS-QGZVFWFLSA-N 2 2 313.405 2.086 40 0 DEABLP CC(=O)NCc1cccc([C@H]2CCC[N@H+]2Cc2[nH]c[nH+]c2C)n1 ZINC000257209204 402702926 /nfs/dbraw/zinc/70/29/26/402702926.db2.gz BPJRKMFCTNROPS-QGZVFWFLSA-N 2 2 313.405 2.086 40 0 DEABLP [NH3+]CC[N@H+](C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391855 185168403 /nfs/dbraw/zinc/16/84/03/185168403.db2.gz PUPAJMCYMFHFKD-QGZVFWFLSA-N 2 2 317.433 2.211 40 0 DEABLP [NH3+]CC[N@@H+](C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 ZINC000079391855 185168404 /nfs/dbraw/zinc/16/84/04/185168404.db2.gz PUPAJMCYMFHFKD-QGZVFWFLSA-N 2 2 317.433 2.211 40 0 DEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](CCO)C2)n1 ZINC000072355674 191130637 /nfs/dbraw/zinc/13/06/37/191130637.db2.gz AKPQOEUQKKRGED-CQSZACIVSA-N 2 2 300.406 2.001 40 0 DEABLP CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072355674 191130638 /nfs/dbraw/zinc/13/06/38/191130638.db2.gz AKPQOEUQKKRGED-CQSZACIVSA-N 2 2 300.406 2.001 40 0 DEABLP Cc1[nH+]c[nH]c1CN1CCO[C@@H](c2cc(N(C)C)cc(C)[nH+]2)C1 ZINC000257308697 203034436 /nfs/dbraw/zinc/03/44/36/203034436.db2.gz TXTHTTDHUUAMQR-QGZVFWFLSA-N 2 2 315.421 2.061 40 0 DEABLP Fc1cccc(C[N@@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293901 182113876 /nfs/dbraw/zinc/11/38/76/182113876.db2.gz DZUZCDCWTAXGEM-AWEZNQCLSA-N 2 2 312.392 2.251 40 0 DEABLP Fc1cccc(C[N@H+]2CCc3nc([C@H]4CC[NH2+]C4)ncc3C2)c1 ZINC000019293901 182113879 /nfs/dbraw/zinc/11/38/79/182113879.db2.gz DZUZCDCWTAXGEM-AWEZNQCLSA-N 2 2 312.392 2.251 40 0 DEABLP CCOc1ccc2ccccc2c1C[NH2+]CC[NH2+]C[C@@H](C)O ZINC000022076121 182308504 /nfs/dbraw/zinc/30/85/04/182308504.db2.gz OEOCENVLBMDJQG-CQSZACIVSA-N 2 2 302.418 2.299 40 0 DEABLP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[NH2+]CCO)cc1 ZINC000022873618 182338549 /nfs/dbraw/zinc/33/85/49/182338549.db2.gz FNQYSEMHLJQCMG-LJQANCHMSA-N 2 2 314.429 2.151 40 0 DEABLP Cc1[nH+]ccn1Cc1ccc(C(=O)NCCCn2cc[nH+]c2)cc1 ZINC000030944878 401867215 /nfs/dbraw/zinc/86/72/15/401867215.db2.gz RROGTDNZXUIGSC-UHFFFAOYSA-N 2 2 323.400 2.256 40 0 DEABLP Cn1cc(C[NH+]2C[C@H]3C[NH+](Cc4cccc(F)c4)C[C@@H]3C2)cn1 ZINC000096110649 402060418 /nfs/dbraw/zinc/06/04/18/402060418.db2.gz VKKQHANJDGATJF-IAGOWNOFSA-N 2 2 314.408 2.123 40 0 DEABLP CCc1[nH+]ccn1CC(=O)N1CCC[C@@H]1c1cc[nH+]c(NC)c1 ZINC000257333792 402712093 /nfs/dbraw/zinc/71/20/93/402712093.db2.gz YDAZOOLQVGTSIR-CQSZACIVSA-N 2 2 313.405 2.246 40 0 DEABLP [NH3+]CC[N@@H+]1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391016 185168262 /nfs/dbraw/zinc/16/82/62/185168262.db2.gz XITGORGLZPMAPN-MRXNPFEDSA-N 2 2 317.433 2.068 40 0 DEABLP [NH3+]CC[N@H+]1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 ZINC000079391016 185168263 /nfs/dbraw/zinc/16/82/63/185168263.db2.gz XITGORGLZPMAPN-MRXNPFEDSA-N 2 2 317.433 2.068 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)c[nH+]1 ZINC000072355438 191129410 /nfs/dbraw/zinc/12/94/10/191129410.db2.gz BTYSSYTUIZLRBG-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP c1cn(-c2cncc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)n2)c[nH+]1 ZINC000072355438 191129412 /nfs/dbraw/zinc/12/94/12/191129412.db2.gz BTYSSYTUIZLRBG-MRXNPFEDSA-N 2 2 320.400 2.437 40 0 DEABLP CC[NH+](CC)CCC[NH2+]CC(=O)N1c2ccccc2C[C@H]1C ZINC000026439606 401840522 /nfs/dbraw/zinc/84/05/22/401840522.db2.gz JOGNSCZOMUNULM-OAHLLOKOSA-N 2 2 303.450 2.286 40 0 DEABLP Cc1c[nH+]c2n1CCN(C)C21CC[NH+](Cc2ccoc2)CC1 ZINC000096036994 402048307 /nfs/dbraw/zinc/04/83/07/402048307.db2.gz UCXYBYKRNAIHRT-UHFFFAOYSA-N 2 2 300.406 2.221 40 0 DEABLP Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000096216077 402070604 /nfs/dbraw/zinc/07/06/04/402070604.db2.gz GSXODXBUVBCPIB-SJLPKXTDSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCOC3)C2)C1 ZINC000096216077 402070606 /nfs/dbraw/zinc/07/06/06/402070606.db2.gz GSXODXBUVBCPIB-SJLPKXTDSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCOC3)C2)C1 ZINC000096216077 402070609 /nfs/dbraw/zinc/07/06/09/402070609.db2.gz GSXODXBUVBCPIB-SJLPKXTDSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1noc(C)c1C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCOC3)C2)C1 ZINC000096216077 402070613 /nfs/dbraw/zinc/07/06/13/402070613.db2.gz GSXODXBUVBCPIB-SJLPKXTDSA-N 2 2 319.449 2.368 40 0 DEABLP Cc1cccc(C[NH+]2CC3(C2)CC[C@@H](C[NH+]2CCCC2)CO3)n1 ZINC000247886684 402577457 /nfs/dbraw/zinc/57/74/57/402577457.db2.gz TYSYNEKNGPXNIQ-KRWDZBQOSA-N 2 2 315.461 2.467 40 0 DEABLP CCc1[nH]c(C[NH+]2CCC3(CC2)OCCC[C@@H]3OC)c(C)[nH+]1 ZINC000257222415 402704922 /nfs/dbraw/zinc/70/49/22/402704922.db2.gz DTEYPLCUOFCMCJ-HNNXBMFYSA-N 2 2 307.438 2.441 40 0 DEABLP Cc1cc(N(C)C)cc([C@@H]2CN(c3cc[nH+]c(C)n3)CCO2)[nH+]1 ZINC000257250886 402708917 /nfs/dbraw/zinc/70/89/17/402708917.db2.gz JOLFOHIKPXRFNQ-INIZCTEOSA-N 2 2 313.405 2.132 40 0 DEABLP CC(C)[C@@H]1NC(=[NH2+])NC(=[NH2+])N1c1ccc(Cl)c(Cl)c1 ZINC000001722912 273550000 /nfs/dbraw/zinc/55/00/00/273550000.db2.gz SNLGCLVYDGNJFD-SNVBAGLBSA-N 2 2 300.193 2.425 40 0 DEABLP CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC000027984368 1078180895 /nfs/dbraw/zinc/18/08/95/1078180895.db2.gz NNXXXFXFKAXQME-UHFFFAOYSA-N 2 2 305.422 2.043 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cn2)n1 ZINC000257292738 203017377 /nfs/dbraw/zinc/01/73/77/203017377.db2.gz QMTDDKDRFOPLSK-KRWDZBQOSA-N 2 2 315.396 2.409 40 0 DEABLP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(F)cn2)n1 ZINC000257292738 203017381 /nfs/dbraw/zinc/01/73/81/203017381.db2.gz QMTDDKDRFOPLSK-KRWDZBQOSA-N 2 2 315.396 2.409 40 0 DEABLP CC(C)[N@H+](C)Cc1nnc2n1CC[NH+](Cc1ccsc1)CC2 ZINC000096058948 402054440 /nfs/dbraw/zinc/05/44/40/402054440.db2.gz KHMBZWNECAAERY-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[N@@H+](C)Cc1nnc2n1CC[NH+](Cc1ccsc1)CC2 ZINC000096058948 402054441 /nfs/dbraw/zinc/05/44/41/402054441.db2.gz KHMBZWNECAAERY-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@@H+](Cc1ccsc1)CC2 ZINC000096058948 402054443 /nfs/dbraw/zinc/05/44/43/402054443.db2.gz KHMBZWNECAAERY-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CC(C)[NH+](C)Cc1nnc2n1CC[N@H+](Cc1ccsc1)CC2 ZINC000096058948 402054444 /nfs/dbraw/zinc/05/44/44/402054444.db2.gz KHMBZWNECAAERY-UHFFFAOYSA-N 2 2 319.478 2.238 40 0 DEABLP CNc1cc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3)C2)cc[nH+]1 ZINC000257321439 203045514 /nfs/dbraw/zinc/04/55/14/203045514.db2.gz WBRYVAZXKHRFTC-OAHLLOKOSA-N 2 2 313.405 2.116 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCOCC2)n1 ZINC000072378810 401710200 /nfs/dbraw/zinc/71/02/00/401710200.db2.gz CFJNXADQYXTHRL-INIZCTEOSA-N 2 2 313.405 2.287 40 0 DEABLP Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072378810 401710202 /nfs/dbraw/zinc/71/02/02/401710202.db2.gz CFJNXADQYXTHRL-INIZCTEOSA-N 2 2 313.405 2.287 40 0 DEABLP C[C@@H](O)C[NH2+]CC[NH2+]Cc1ccc(OCc2cccs2)cc1 ZINC000022076415 401826214 /nfs/dbraw/zinc/82/62/14/401826214.db2.gz VQFCINAXXGPBFN-CQSZACIVSA-N 2 2 320.458 2.387 40 0 DEABLP CC[NH+](CC)CCC[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C ZINC000026439602 401840419 /nfs/dbraw/zinc/84/04/19/401840419.db2.gz JOGNSCZOMUNULM-HNNXBMFYSA-N 2 2 303.450 2.286 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158066 402063432 /nfs/dbraw/zinc/06/34/32/402063432.db2.gz FUUNYYHRVNTBNQ-HKUYNNGSSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158066 402063434 /nfs/dbraw/zinc/06/34/34/402063434.db2.gz FUUNYYHRVNTBNQ-HKUYNNGSSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158066 402063435 /nfs/dbraw/zinc/06/34/35/402063435.db2.gz FUUNYYHRVNTBNQ-HKUYNNGSSA-N 2 2 315.461 2.406 40 0 DEABLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)nc1 ZINC000096158066 402063436 /nfs/dbraw/zinc/06/34/36/402063436.db2.gz FUUNYYHRVNTBNQ-HKUYNNGSSA-N 2 2 315.461 2.406 40 0 DEABLP Cc1cc(N)cc([C@H]2C[N@H+](CCOc3ccccc3)CCO2)[nH+]1 ZINC000257331061 402712133 /nfs/dbraw/zinc/71/21/33/402712133.db2.gz XRFQRRSNJSGLNH-GOSISDBHSA-N 2 2 313.401 2.425 40 0 DEABLP Cc1cc(N)cc([C@H]2C[N@@H+](CCOc3ccccc3)CCO2)[nH+]1 ZINC000257331061 402712134 /nfs/dbraw/zinc/71/21/34/402712134.db2.gz XRFQRRSNJSGLNH-GOSISDBHSA-N 2 2 313.401 2.425 40 0 DEABLP C[C@]12C[N@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591735 402669971 /nfs/dbraw/zinc/66/99/71/402669971.db2.gz TWXVMGOZCGGXHQ-GGPKGHCWSA-N 2 2 321.424 2.321 40 0 DEABLP C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@H]2[NH3+] ZINC000253591735 402669972 /nfs/dbraw/zinc/66/99/72/402669972.db2.gz TWXVMGOZCGGXHQ-GGPKGHCWSA-N 2 2 321.424 2.321 40 0 DEABLP C[NH+](C)Cc1cnc([C@H]2C[N@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000257207408 402703249 /nfs/dbraw/zinc/70/32/49/402703249.db2.gz BHPQIONZSOWFDM-CQSZACIVSA-N 2 2 306.435 2.106 40 0 DEABLP C[NH+](C)Cc1cnc([C@H]2C[N@@H+](Cc3ccsc3)CCO2)[nH]1 ZINC000257207408 402703253 /nfs/dbraw/zinc/70/32/53/402703253.db2.gz BHPQIONZSOWFDM-CQSZACIVSA-N 2 2 306.435 2.106 40 0 DEABLP C[C@H]1Cc2ccccc2CN1c1cc(NCC[NH+](C)C)nc[nH+]1 ZINC000329023045 404205615 /nfs/dbraw/zinc/20/56/15/404205615.db2.gz ORFHOERUMUPGOZ-AWEZNQCLSA-N 2 2 311.433 2.401 40 0 DEABLP CNc1cc(C)[nH+]c([C@H]2CN(Cc3[nH]c[nH+]c3C)CCO2)c1 ZINC000257318051 203042687 /nfs/dbraw/zinc/04/26/87/203042687.db2.gz VMGCXCKPRRMVPQ-MRXNPFEDSA-N 2 2 301.394 2.037 40 0 DEABLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247902 182354740 /nfs/dbraw/zinc/35/47/40/182354740.db2.gz CGBQMUAOULFRLA-OAHLLOKOSA-N 2 2 315.417 2.111 40 0 DEABLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000023247902 182354743 /nfs/dbraw/zinc/35/47/43/182354743.db2.gz CGBQMUAOULFRLA-OAHLLOKOSA-N 2 2 315.417 2.111 40 0 DEABLP c1cncc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)c1 ZINC000096048919 402051329 /nfs/dbraw/zinc/05/13/29/402051329.db2.gz SSNSOZLQNOCQMJ-UHFFFAOYSA-N 2 2 301.434 2.158 40 0 DEABLP c1cncc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)c1 ZINC000096048919 402051330 /nfs/dbraw/zinc/05/13/30/402051330.db2.gz SSNSOZLQNOCQMJ-UHFFFAOYSA-N 2 2 301.434 2.158 40 0 DEABLP CC(C)C[N@@H+]1CCNC(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000096230167 402073153 /nfs/dbraw/zinc/07/31/53/402073153.db2.gz IIBOLIOLMVGWNU-UHFFFAOYSA-N 2 2 321.490 2.171 40 0 DEABLP CC(C)C[N@H+]1CCNC(=O)C12CC[NH+](Cc1cccs1)CC2 ZINC000096230167 402073156 /nfs/dbraw/zinc/07/31/56/402073156.db2.gz IIBOLIOLMVGWNU-UHFFFAOYSA-N 2 2 321.490 2.171 40 0 DEABLP CCN(C[C@@H]1CCC[N@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411608 185170036 /nfs/dbraw/zinc/17/00/36/185170036.db2.gz PVSYACXGHKRIOH-QGZVFWFLSA-N 2 2 319.449 2.316 40 0 DEABLP CCN(C[C@@H]1CCC[N@@H+](CC[NH3+])C1)C(=O)OCc1ccccc1 ZINC000079411608 185170037 /nfs/dbraw/zinc/17/00/37/185170037.db2.gz PVSYACXGHKRIOH-QGZVFWFLSA-N 2 2 319.449 2.316 40 0 DEABLP Brc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1 ZINC000006322085 401731391 /nfs/dbraw/zinc/73/13/91/401731391.db2.gz PCINFDFVSAFAJW-UHFFFAOYSA-N 2 2 313.239 2.261 40 0 DEABLP Cc1c2ccccc2oc1C(=O)OC(C[NH+](C)C)C[NH+](C)C ZINC000012651049 401789684 /nfs/dbraw/zinc/78/96/84/401789684.db2.gz QSGBSXMMWXICRD-UHFFFAOYSA-N 2 2 304.390 2.390 40 0 DEABLP C[NH+](C)C[C@@H]1Cn2cc[nH+]c2CN(Cc2ccc(F)cc2)C1 ZINC000096059177 402054278 /nfs/dbraw/zinc/05/42/78/402054278.db2.gz VOTKMOHPQUYEMY-HNNXBMFYSA-N 2 2 302.397 2.216 40 0 DEABLP CCC[N@H+]1Cc2nccn2C[C@@H](C[NH+](C)Cc2ccco2)C1 ZINC000096067117 402055543 /nfs/dbraw/zinc/05/55/43/402055543.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[N@@H+]1Cc2nccn2C[C@@H](C[NH+](C)Cc2ccco2)C1 ZINC000096067117 402055547 /nfs/dbraw/zinc/05/55/47/402055547.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[NH+]1Cc2nccn2C[C@@H](C[N@H+](C)Cc2ccco2)C1 ZINC000096067117 402055549 /nfs/dbraw/zinc/05/55/49/402055549.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 2 2 302.422 2.450 40 0 DEABLP CCC[NH+]1Cc2nccn2C[C@@H](C[N@@H+](C)Cc2ccco2)C1 ZINC000096067117 402055550 /nfs/dbraw/zinc/05/55/50/402055550.db2.gz RQKKRRAXLRNSJU-HNNXBMFYSA-N 2 2 302.422 2.450 40 0 DEABLP CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2Cc2[nH]c[nH+]c2C)n1 ZINC000257209203 402703377 /nfs/dbraw/zinc/70/33/77/402703377.db2.gz BPJRKMFCTNROPS-KRWDZBQOSA-N 2 2 313.405 2.086 40 0 DEABLP CC(=O)NCc1cccc([C@@H]2CCC[N@H+]2Cc2[nH]c[nH+]c2C)n1 ZINC000257209203 402703378 /nfs/dbraw/zinc/70/33/78/402703378.db2.gz BPJRKMFCTNROPS-KRWDZBQOSA-N 2 2 313.405 2.086 40 0 DEABLP C[N@@H+]1CCC[C@H](Cc2cccc(N3CCC(O)CC3)[nH+]2)CC1 ZINC000257269742 402711068 /nfs/dbraw/zinc/71/10/68/402711068.db2.gz MRFAEMVRPDYHOG-HNNXBMFYSA-N 2 2 303.450 2.317 40 0 DEABLP C[N@H+]1CCC[C@H](Cc2cccc(N3CCC(O)CC3)[nH+]2)CC1 ZINC000257269742 402711071 /nfs/dbraw/zinc/71/10/71/402711071.db2.gz MRFAEMVRPDYHOG-HNNXBMFYSA-N 2 2 303.450 2.317 40 0 DEABLP